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 1m34_1_I DATA FIRST_RESID 4 DATA SEQUENCE MSREEVESLI QEVLEVYPEK ARKDRNKHLA VNDPAVTQSK KCIISNKKSQ DATA SEQUENCE PGLMTIRGCA YAGSKGVVWG PIKDMIHISH GPVGCGQYSR AGRRNYYIGT DATA SEQUENCE TGVNAFVTMN FTSDFQEKDI VFGGDKKLAK LIDEVETLFP LNKGISVQSE DATA SEQUENCE CPIGLIGDDI ESVSKVKGAE LSKTIVPVRC EGFRGVSQSL GHHIANDAVR DATA SEQUENCE DWVLGKRDED TTFASTPYDV AIIGDYNIGG DAWSSRILLE EMGLRCVAQW DATA SEQUENCE SGDGSISEIE LTPKVKLNLV HCYRSMNYIS RHMEEKYGIP WMEYNFFGPT DATA SEQUENCE KTIESLRAIA AKFDESIQKK CEEVIAKYKP EWEAVVAKYR PRLEGKRVML DATA SEQUENCE YIGGLRPRHV IGAYEDLGME VVGTGYEFAH NDDYDRTMKE MGDSTLLYDD DATA SEQUENCE VTGYEFEEFV KRIKPDLIGS GIKEKFIFQK MGIPFREMHS WDYSGPYHGF DATA SEQUENCE DGFAIFARDM DMTLNNPCWK KLQAPWEA 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.286 176.300 -0.023 0.000 1.140 4 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 4 M CB 0.000 32.588 32.600 -0.021 0.000 1.302 5 S N 0.133 115.820 115.700 -0.022 0.000 3.066 5 S HA -0.145 4.325 4.470 -0.000 0.000 0.845 5 S C 0.366 174.952 174.600 -0.022 0.000 0.957 5 S CA 1.045 59.234 58.200 -0.019 0.000 1.344 5 S CB -0.601 62.590 63.200 -0.014 0.000 0.987 5 S HN 1.021 nan 8.310 nan 0.000 0.359 6 R N 2.284 122.770 120.500 -0.023 0.000 2.211 6 R HA -0.166 4.174 4.340 -0.000 0.000 0.240 6 R C 1.556 177.844 176.300 -0.020 0.000 1.144 6 R CA 1.661 57.746 56.100 -0.025 0.000 0.992 6 R CB -0.471 29.816 30.300 -0.023 0.000 0.869 6 R HN 0.737 nan 8.270 nan 0.000 0.462 7 E N 1.877 122.068 120.200 -0.015 0.000 2.051 7 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 7 E C 1.830 178.425 176.600 -0.009 0.000 0.991 7 E CA 1.660 58.054 56.400 -0.009 0.000 0.799 7 E CB -0.215 29.481 29.700 -0.007 0.000 0.748 7 E HN 0.657 nan 8.360 nan 0.000 0.449 8 E N 0.609 120.802 120.200 -0.012 0.000 2.072 8 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 8 E C 2.296 178.885 176.600 -0.018 0.000 0.982 8 E CA 0.900 57.294 56.400 -0.011 0.000 0.803 8 E CB 0.024 29.716 29.700 -0.013 0.000 0.755 8 E HN 0.014 nan 8.360 nan 0.000 0.453 9 V N 1.828 121.722 119.914 -0.033 0.000 2.343 9 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 9 V C 2.028 178.094 176.094 -0.047 0.000 1.051 9 V CA 1.850 64.115 62.300 -0.058 0.000 1.036 9 V CB -0.505 31.274 31.823 -0.074 0.000 0.654 9 V HN 0.234 nan 8.190 nan 0.000 0.451 10 E N -0.009 120.177 120.200 -0.024 0.000 2.106 10 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 10 E C 2.407 179.016 176.600 0.016 0.000 0.984 10 E CA 1.447 57.844 56.400 -0.005 0.000 0.806 10 E CB -0.245 29.454 29.700 -0.002 0.000 0.750 10 E HN 0.534 nan 8.360 nan 0.000 0.458 11 S N 0.679 116.387 115.700 0.013 0.000 2.402 11 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 11 S C 1.947 176.572 174.600 0.042 0.000 1.021 11 S CA 0.542 58.758 58.200 0.026 0.000 0.974 11 S CB -0.062 63.149 63.200 0.017 0.000 0.800 11 S HN 0.167 nan 8.310 nan 0.000 0.484 12 L N 1.846 123.091 121.223 0.037 0.000 2.005 12 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 12 L C 2.053 179.011 176.870 0.147 0.000 1.072 12 L CA 1.743 56.627 54.840 0.073 0.000 0.744 12 L CB -0.805 41.274 42.059 0.034 0.000 0.895 12 L HN 0.387 nan 8.230 nan 0.000 0.433 13 I N -0.696 119.944 120.570 0.116 0.000 2.118 13 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 13 I C 2.560 178.791 176.117 0.190 0.000 1.070 13 I CA 1.443 62.868 61.300 0.209 0.000 1.327 13 I CB -0.390 37.680 38.000 0.117 0.000 1.034 13 I HN 0.372 nan 8.210 nan 0.000 0.405 14 Q N 0.777 120.648 119.800 0.118 0.000 2.096 14 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 14 Q C 2.017 178.072 176.000 0.091 0.000 0.982 14 Q CA 1.694 57.556 55.803 0.097 0.000 0.850 14 Q CB -0.186 28.591 28.738 0.065 0.000 0.901 14 Q HN 0.495 nan 8.270 nan 0.000 0.422 15 E N -1.061 119.191 120.200 0.087 0.000 2.110 15 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 15 E C 1.908 178.551 176.600 0.072 0.000 0.988 15 E CA 1.297 57.738 56.400 0.069 0.000 0.804 15 E CB 0.028 29.765 29.700 0.061 0.000 0.745 15 E HN 0.144 nan 8.360 nan 0.000 0.458 16 V N 1.458 121.435 119.914 0.105 0.000 2.427 16 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 16 V C 2.188 178.304 176.094 0.036 0.000 1.051 16 V CA 1.348 63.692 62.300 0.073 0.000 1.048 16 V CB -0.378 31.489 31.823 0.073 0.000 0.666 16 V HN 0.272 nan 8.190 nan 0.000 0.456 17 L N -0.306 120.962 121.223 0.076 0.000 2.465 17 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 17 L C 2.374 179.244 176.870 -0.001 0.000 1.145 17 L CA 0.908 55.793 54.840 0.075 0.000 0.834 17 L CB -0.642 41.545 42.059 0.214 0.000 0.944 17 L HN 0.403 nan 8.230 nan 0.000 0.451 18 E N 0.140 120.339 120.200 -0.003 0.000 2.267 18 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 18 E C 2.138 178.699 176.600 -0.064 0.000 0.998 18 E CA 1.569 57.964 56.400 -0.008 0.000 0.830 18 E CB -0.044 29.660 29.700 0.006 0.000 0.751 18 E HN 0.562 nan 8.360 nan 0.000 0.491 19 V N -1.636 118.166 119.914 -0.188 0.000 2.951 19 V HA -0.056 4.064 4.120 -0.000 0.000 0.255 19 V C 0.749 176.717 176.094 -0.210 0.000 1.088 19 V CA 0.410 62.549 62.300 -0.269 0.000 1.109 19 V CB -0.644 30.873 31.823 -0.509 0.000 0.724 19 V HN -0.042 nan 8.190 nan 0.000 0.471 20 Y N 1.643 121.901 120.300 -0.071 0.000 2.326 20 Y HA 0.575 5.125 4.550 -0.000 0.000 0.333 20 Y C -1.791 174.090 175.900 -0.032 0.000 1.240 20 Y CA -3.071 54.995 58.100 -0.057 0.000 1.365 20 Y CB -0.663 37.785 38.460 -0.020 0.000 1.289 20 Y HN 0.128 nan 8.280 nan 0.000 0.548 21 P HA 0.028 nan 4.420 nan 0.000 0.272 21 P C 0.640 177.983 177.300 0.073 0.000 1.223 21 P CA -0.120 63.023 63.100 0.072 0.000 0.784 21 P CB 0.845 32.570 31.700 0.040 0.000 0.923 22 E N 2.889 123.119 120.200 0.050 0.000 2.086 22 E HA -0.292 4.058 4.350 -0.000 0.000 0.205 22 E C 1.658 178.281 176.600 0.038 0.000 1.027 22 E CA 2.009 58.437 56.400 0.046 0.000 0.830 22 E CB -0.420 29.299 29.700 0.031 0.000 0.751 22 E HN 0.372 nan 8.360 nan 0.000 0.456 23 K N -0.760 119.653 120.400 0.020 0.000 2.032 23 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 23 K C 2.068 178.661 176.600 -0.011 0.000 1.048 23 K CA 1.493 57.784 56.287 0.006 0.000 0.927 23 K CB -0.347 32.151 32.500 -0.003 0.000 0.712 23 K HN 0.186 nan 8.250 nan 0.000 0.441 24 A N 1.472 124.270 122.820 -0.037 0.000 1.930 24 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 24 A C 2.156 179.674 177.584 -0.110 0.000 1.175 24 A CA 1.416 53.371 52.037 -0.137 0.000 0.627 24 A CB -0.569 18.287 19.000 -0.241 0.000 0.815 24 A HN 0.367 nan 8.150 nan 0.000 0.443 25 R N -0.012 120.519 120.500 0.051 0.000 2.081 25 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 25 R C 2.285 178.652 176.300 0.112 0.000 1.131 25 R CA 1.950 58.151 56.100 0.169 0.000 0.960 25 R CB -0.283 30.128 30.300 0.184 0.000 0.856 25 R HN 0.561 nan 8.270 nan 0.000 0.436 26 K N 0.148 120.590 120.400 0.070 0.000 2.097 26 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 26 K C 1.621 178.260 176.600 0.065 0.000 1.049 26 K CA 2.082 58.405 56.287 0.060 0.000 0.933 26 K CB -0.186 32.339 32.500 0.041 0.000 0.717 26 K HN 0.143 nan 8.250 nan 0.000 0.442 27 D N 0.150 120.585 120.400 0.058 0.000 2.091 27 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 27 D C 1.919 178.346 176.300 0.211 0.000 0.980 27 D CA 1.033 55.095 54.000 0.103 0.000 0.831 27 D CB 0.155 40.987 40.800 0.054 0.000 0.987 27 D HN 0.028 nan 8.370 nan 0.000 0.460 28 R N 0.603 121.174 120.500 0.117 0.000 2.127 28 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 28 R C 1.995 178.441 176.300 0.244 0.000 1.134 28 R CA 0.621 56.824 56.100 0.172 0.000 0.975 28 R CB -1.365 28.960 30.300 0.041 0.000 0.865 28 R HN 0.396 nan 8.270 nan 0.000 0.447 29 N N 1.636 120.444 118.700 0.181 0.000 2.272 29 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 29 N C 0.778 176.335 175.510 0.078 0.000 1.014 29 N CA 1.064 54.199 53.050 0.142 0.000 0.870 29 N CB 0.138 38.689 38.487 0.108 0.000 0.975 29 N HN 0.307 nan 8.380 nan 0.000 0.433 30 K N -0.846 119.572 120.400 0.029 0.000 2.487 30 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 30 K C 0.540 176.950 176.600 -0.318 0.000 1.027 30 K CA 0.401 56.600 56.287 -0.146 0.000 1.054 30 K CB 0.218 32.587 32.500 -0.218 0.000 0.824 30 K HN 0.349 nan 8.250 nan 0.000 0.510 31 H N -0.091 119.001 119.070 0.037 0.000 2.594 31 H HA 0.240 4.795 4.556 -0.000 0.000 0.279 31 H C -0.191 175.189 175.328 0.088 0.000 1.042 31 H CA 0.083 56.157 56.048 0.043 0.000 1.177 31 H CB 0.520 30.331 29.762 0.080 0.000 1.524 31 H HN -0.002 nan 8.280 nan 0.000 0.537 32 L N 0.784 122.100 121.223 0.155 0.000 2.386 32 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 32 L C -0.370 176.532 176.870 0.053 0.000 0.993 32 L CA -0.830 54.112 54.840 0.170 0.000 0.819 32 L CB 2.314 44.532 42.059 0.265 0.000 1.294 32 L HN 0.008 nan 8.230 nan 0.000 0.414 33 A N 2.384 125.211 122.820 0.011 0.000 2.610 33 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 33 A C -1.536 176.018 177.584 -0.049 0.000 1.086 33 A CA -0.518 51.500 52.037 -0.032 0.000 0.677 33 A CB 1.948 20.908 19.000 -0.067 0.000 1.278 33 A HN 0.291 nan 8.150 nan 0.000 0.414 34 V N 2.775 122.661 119.914 -0.047 0.000 2.347 34 V HA 0.257 4.377 4.120 -0.000 0.000 0.280 34 V C 0.695 176.764 176.094 -0.042 0.000 1.021 34 V CA -0.802 61.468 62.300 -0.051 0.000 0.847 34 V CB 1.133 32.929 31.823 -0.044 0.000 0.990 34 V HN 0.897 nan 8.190 nan 0.000 0.444 35 N N 3.469 122.144 118.700 -0.042 0.000 2.374 35 N HA 0.018 4.758 4.740 -0.000 0.000 0.241 35 N C -0.973 174.523 175.510 -0.024 0.000 1.262 35 N CA 0.273 53.306 53.050 -0.029 0.000 0.880 35 N CB 0.929 39.400 38.487 -0.026 0.000 1.105 35 N HN 0.813 nan 8.380 nan 0.000 0.438 36 D N 2.248 122.638 120.400 -0.017 0.000 2.890 36 D HA 0.352 4.992 4.640 -0.000 0.000 0.233 36 D C -2.169 174.124 176.300 -0.011 0.000 1.306 36 D CA -1.565 52.426 54.000 -0.016 0.000 0.929 36 D CB 1.784 42.574 40.800 -0.016 0.000 1.512 36 D HN 0.193 nan 8.370 nan 0.000 0.568 37 P HA -0.144 nan 4.420 nan 0.000 0.217 37 P C 0.976 178.270 177.300 -0.011 0.000 1.148 37 P CA 1.725 64.818 63.100 -0.012 0.000 0.834 37 P CB 0.252 31.944 31.700 -0.013 0.000 0.783 38 A N -0.249 122.565 122.820 -0.011 0.000 1.873 38 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 38 A C 1.045 178.624 177.584 -0.009 0.000 1.186 38 A CA 1.112 53.143 52.037 -0.011 0.000 0.616 38 A CB -1.674 17.320 19.000 -0.010 0.000 0.823 38 A HN 0.182 nan 8.150 nan 0.000 0.442 39 V N 0.650 120.559 119.914 -0.008 0.000 2.486 39 V HA 0.186 4.306 4.120 -0.000 0.000 0.290 39 V C 0.971 177.063 176.094 -0.003 0.000 0.991 39 V CA 1.021 63.317 62.300 -0.006 0.000 1.142 39 V CB -0.630 31.188 31.823 -0.007 0.000 0.926 39 V HN 0.571 nan 8.190 nan 0.000 0.472 40 T N 1.543 116.094 114.554 -0.005 0.000 3.129 40 T HA 0.198 4.548 4.350 -0.000 0.000 0.251 40 T C 0.600 175.299 174.700 -0.001 0.000 1.117 40 T CA 0.345 62.441 62.100 -0.006 0.000 1.034 40 T CB -0.185 68.677 68.868 -0.012 0.000 0.968 40 T HN 0.794 nan 8.240 nan 0.000 0.526 41 Q N 1.335 121.137 119.800 0.002 0.000 2.320 41 Q HA 0.396 4.736 4.340 -0.000 0.000 0.268 41 Q C 0.477 176.482 176.000 0.009 0.000 1.023 41 Q CA -0.439 55.368 55.803 0.007 0.000 0.744 41 Q CB 2.035 30.775 28.738 0.004 0.000 1.246 41 Q HN 0.432 nan 8.270 nan 0.000 0.462 42 S N 1.781 117.495 115.700 0.024 0.000 2.561 42 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 42 S C 1.184 175.769 174.600 -0.026 0.000 0.977 42 S CA 0.248 58.456 58.200 0.013 0.000 0.926 42 S CB -0.096 63.150 63.200 0.077 0.000 0.769 42 S HN 0.641 nan 8.310 nan 0.000 0.533 43 K N 1.381 121.773 120.400 -0.013 0.000 2.525 43 K HA 0.106 4.426 4.320 -0.000 0.000 0.192 43 K C 1.197 177.771 176.600 -0.042 0.000 1.029 43 K CA 0.434 56.702 56.287 -0.032 0.000 1.029 43 K CB -0.203 32.291 32.500 -0.010 0.000 0.814 43 K HN 0.367 nan 8.250 nan 0.000 0.503 44 K N -0.463 119.916 120.400 -0.036 0.000 2.353 44 K HA 0.151 4.471 4.320 -0.000 0.000 0.195 44 K C 1.133 177.706 176.600 -0.045 0.000 1.031 44 K CA -0.065 56.201 56.287 -0.034 0.000 1.079 44 K CB 0.461 32.948 32.500 -0.022 0.000 0.857 44 K HN 0.101 nan 8.250 nan 0.000 0.535 45 C N 0.274 119.537 119.300 -0.061 0.000 2.403 45 C HA 0.416 4.876 4.460 -0.000 0.000 0.380 45 C C 0.675 175.591 174.990 -0.123 0.000 1.490 45 C CA -0.245 58.728 59.018 -0.074 0.000 2.457 45 C CB 0.618 28.322 27.740 -0.061 0.000 2.341 45 C HN 0.346 nan 8.230 nan 0.000 0.626 46 I N 1.631 122.091 120.570 -0.183 0.000 2.828 46 I HA 0.516 4.686 4.170 -0.000 0.000 0.302 46 I C -1.460 174.484 176.117 -0.288 0.000 1.101 46 I CA -0.855 60.278 61.300 -0.279 0.000 1.031 46 I CB 1.918 39.654 38.000 -0.440 0.000 1.231 46 I HN 0.255 nan 8.210 nan 0.000 0.427 47 I N 3.721 124.090 120.570 -0.334 0.000 2.607 47 I HA 0.781 4.951 4.170 -0.000 0.000 0.305 47 I C -0.247 175.764 176.117 -0.177 0.000 0.995 47 I CA -0.624 60.514 61.300 -0.270 0.000 1.148 47 I CB 1.203 39.011 38.000 -0.321 0.000 1.323 47 I HN 0.559 nan 8.210 nan 0.000 0.461 48 S N 2.199 117.909 115.700 0.017 0.000 2.656 48 S HA 0.512 4.982 4.470 -0.000 0.000 0.273 48 S C -0.187 174.487 174.600 0.124 0.000 1.168 48 S CA -0.450 57.861 58.200 0.185 0.000 0.817 48 S CB 0.989 64.373 63.200 0.306 0.000 1.146 48 S HN 1.136 nan 8.310 nan 0.000 0.475 49 N N 0.299 119.066 118.700 0.112 0.000 2.740 49 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 49 N C -1.078 174.443 175.510 0.018 0.000 1.062 49 N CA 0.540 53.574 53.050 -0.028 0.000 0.704 49 N CB -0.638 37.635 38.487 -0.357 0.000 0.968 49 N HN 0.524 nan 8.380 nan 0.000 0.547 50 K N 1.029 121.489 120.400 0.100 0.000 2.350 50 K HA 0.382 4.702 4.320 -0.000 0.000 0.241 50 K C -0.046 176.583 176.600 0.049 0.000 0.994 50 K CA -0.623 55.720 56.287 0.093 0.000 0.839 50 K CB 1.010 33.624 32.500 0.189 0.000 1.244 50 K HN 0.126 nan 8.250 nan 0.000 0.443 51 K N 0.902 121.321 120.400 0.032 0.000 2.518 51 K HA 0.078 4.398 4.320 -0.000 0.000 0.276 51 K C 0.052 176.637 176.600 -0.024 0.000 0.974 51 K CA 0.345 56.639 56.287 0.012 0.000 0.986 51 K CB 0.250 32.757 32.500 0.012 0.000 0.901 51 K HN 0.393 nan 8.250 nan 0.000 0.497 52 S N 2.665 118.352 115.700 -0.021 0.000 2.565 52 S HA 0.051 4.521 4.470 -0.000 0.000 0.276 52 S C -0.075 174.491 174.600 -0.056 0.000 1.326 52 S CA -0.795 57.376 58.200 -0.047 0.000 1.045 52 S CB 0.868 64.063 63.200 -0.009 0.000 0.918 52 S HN 0.335 nan 8.310 nan 0.000 0.505 53 Q N 3.403 123.146 119.800 -0.094 0.000 2.313 53 Q HA 0.208 4.548 4.340 -0.000 0.000 0.266 53 Q C -2.078 173.880 176.000 -0.069 0.000 0.989 53 Q CA -1.679 54.067 55.803 -0.096 0.000 0.890 53 Q CB 0.143 28.783 28.738 -0.164 0.000 1.200 53 Q HN 0.434 nan 8.270 nan 0.000 0.396 54 P HA 0.022 nan 4.420 nan 0.000 0.268 54 P C 0.409 177.690 177.300 -0.032 0.000 1.204 54 P CA 0.394 63.475 63.100 -0.032 0.000 0.768 54 P CB 0.579 32.264 31.700 -0.025 0.000 0.842 55 G N 2.459 111.248 108.800 -0.018 0.000 2.153 55 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 55 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 55 G C 0.518 175.417 174.900 -0.002 0.000 0.994 55 G CA 0.213 45.307 45.100 -0.010 0.000 0.698 55 G HN 0.528 nan 8.290 nan 0.000 0.521 56 L N -0.706 120.513 121.223 -0.007 0.000 2.640 56 L HA 0.477 4.817 4.340 -0.000 0.000 0.230 56 L C 1.509 178.407 176.870 0.046 0.000 1.123 56 L CA 0.408 55.258 54.840 0.016 0.000 0.900 56 L CB 0.171 42.201 42.059 -0.047 0.000 1.146 56 L HN 0.449 nan 8.230 nan 0.000 0.484 57 M N 1.807 121.428 119.600 0.035 0.000 2.691 57 M HA -0.157 4.323 4.480 -0.000 0.000 0.185 57 M C 0.398 176.735 176.300 0.062 0.000 0.998 57 M CA 0.307 55.635 55.300 0.047 0.000 0.632 57 M CB -0.747 31.886 32.600 0.054 0.000 1.219 57 M HN 0.449 nan 8.290 nan 0.000 0.829 58 T N -1.844 112.745 114.554 0.058 0.000 2.788 58 T HA 0.521 4.871 4.350 -0.000 0.000 0.287 58 T C 0.972 175.743 174.700 0.118 0.000 1.007 58 T CA -0.541 61.610 62.100 0.085 0.000 1.005 58 T CB 1.027 69.941 68.868 0.077 0.000 1.012 58 T HN 0.464 nan 8.240 nan 0.000 0.530 59 I N -0.537 120.142 120.570 0.182 0.000 3.956 59 I HA 0.179 4.348 4.170 -0.000 0.000 0.333 59 I C 1.386 177.617 176.117 0.190 0.000 1.302 59 I CA -0.431 60.992 61.300 0.206 0.000 1.122 59 I CB -0.099 38.101 38.000 0.333 0.000 1.013 59 I HN 0.434 nan 8.210 nan 0.000 0.405 60 R N 1.422 122.032 120.500 0.184 0.000 2.694 60 R HA 0.285 4.625 4.340 -0.000 0.000 0.268 60 R C 0.676 177.043 176.300 0.111 0.000 1.061 60 R CA 0.196 56.404 56.100 0.180 0.000 1.133 60 R CB 0.576 30.975 30.300 0.166 0.000 1.020 60 R HN 0.194 nan 8.270 nan 0.000 0.475 61 G N 0.422 109.273 108.800 0.085 0.000 2.736 61 G HA2 0.431 4.391 3.960 -0.000 0.000 0.229 61 G HA3 0.431 4.391 3.960 -0.000 0.000 0.229 61 G C -0.428 174.469 174.900 -0.005 0.000 1.380 61 G CA -0.499 44.620 45.100 0.032 0.000 1.040 61 G HN 0.815 nan 8.290 nan 0.000 0.568 62 C N -3.449 115.842 119.300 -0.015 0.000 2.871 62 C HA 0.837 5.297 4.460 -0.000 0.000 0.351 62 C C 1.988 176.928 174.990 -0.082 0.000 1.338 62 C CA 0.157 59.158 59.018 -0.029 0.000 1.686 62 C CB 1.264 29.016 27.740 0.019 0.000 2.135 62 C HN 1.033 nan 8.230 nan 0.000 0.476 63 A N -0.559 122.205 122.820 -0.092 0.000 1.969 63 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 63 A C 1.874 179.409 177.584 -0.082 0.000 1.169 63 A CA 1.837 53.795 52.037 -0.131 0.000 0.635 63 A CB -1.073 17.839 19.000 -0.146 0.000 0.810 63 A HN 1.202 nan 8.150 nan 0.000 0.445 64 Y N 0.663 120.883 120.300 -0.134 0.000 2.181 64 Y HA -0.080 4.470 4.550 -0.000 0.000 0.288 64 Y C 2.537 178.392 175.900 -0.074 0.000 1.146 64 Y CA 1.296 59.337 58.100 -0.099 0.000 1.164 64 Y CB -0.482 37.925 38.460 -0.087 0.000 0.982 64 Y HN 0.297 nan 8.280 nan 0.000 0.515 65 A N 0.485 123.291 122.820 -0.024 0.000 1.883 65 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 65 A C 2.474 179.941 177.584 -0.195 0.000 1.186 65 A CA 1.842 53.816 52.037 -0.105 0.000 0.624 65 A CB -1.779 17.215 19.000 -0.011 0.000 0.822 65 A HN 0.620 nan 8.150 nan 0.000 0.444 66 G N -1.288 107.385 108.800 -0.212 0.000 2.422 66 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 66 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 66 G C 1.901 176.746 174.900 -0.092 0.000 1.146 66 G CA 1.588 46.554 45.100 -0.222 0.000 0.769 66 G HN 0.573 nan 8.290 nan 0.000 0.547 67 S N -0.610 115.015 115.700 -0.126 0.000 2.339 67 S HA 0.037 4.507 4.470 -0.000 0.000 0.213 67 S C 2.263 176.837 174.600 -0.043 0.000 1.033 67 S CA 1.385 59.575 58.200 -0.016 0.000 0.950 67 S CB -0.237 62.956 63.200 -0.012 0.000 0.893 67 S HN 0.218 nan 8.310 nan 0.000 0.492 68 K N 0.845 121.060 120.400 -0.309 0.000 1.991 68 K HA 0.013 4.333 4.320 -0.000 0.000 0.207 68 K C 2.178 178.602 176.600 -0.293 0.000 1.045 68 K CA 1.706 57.771 56.287 -0.370 0.000 0.937 68 K CB -1.333 30.706 32.500 -0.769 0.000 0.720 68 K HN 0.423 nan 8.250 nan 0.000 0.438 69 G N 0.970 109.567 108.800 -0.338 0.000 2.422 69 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 69 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 69 G C 1.542 176.345 174.900 -0.162 0.000 1.146 69 G CA 1.405 46.393 45.100 -0.187 0.000 0.769 69 G HN 0.359 nan 8.290 nan 0.000 0.547 70 V N -1.964 117.836 119.914 -0.191 0.000 2.743 70 V HA 0.158 4.278 4.120 -0.000 0.000 0.237 70 V C 2.483 178.376 176.094 -0.335 0.000 1.113 70 V CA 1.252 63.370 62.300 -0.303 0.000 1.141 70 V CB -0.165 31.459 31.823 -0.332 0.000 0.873 70 V HN 0.061 nan 8.190 nan 0.000 0.486 71 V N -0.565 119.230 119.914 -0.197 0.000 2.331 71 V HA -0.038 4.082 4.120 -0.000 0.000 0.242 71 V C 2.264 178.198 176.094 -0.266 0.000 1.034 71 V CA 2.468 64.672 62.300 -0.160 0.000 1.027 71 V CB -0.764 30.943 31.823 -0.193 0.000 0.667 71 V HN 0.649 nan 8.190 nan 0.000 0.457 72 W N 0.578 121.761 121.300 -0.195 0.000 2.481 72 W HA 0.179 4.839 4.660 -0.000 0.000 0.293 72 W C 2.567 178.686 176.519 -0.668 0.000 1.201 72 W CA 0.994 58.126 57.345 -0.354 0.000 1.328 72 W CB -0.911 28.324 29.460 -0.375 0.000 1.112 72 W HN 0.265 nan 8.180 nan 0.000 0.546 73 G N 1.094 109.684 108.800 -0.351 0.000 2.503 73 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 73 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 73 G C -0.941 173.883 174.900 -0.126 0.000 1.131 73 G CA 1.169 46.058 45.100 -0.353 0.000 0.756 73 G HN 0.162 nan 8.290 nan 0.000 0.572 74 P HA 0.044 nan 4.420 nan 0.000 0.223 74 P C 0.681 177.997 177.300 0.027 0.000 1.151 74 P CA 0.324 63.435 63.100 0.018 0.000 0.787 74 P CB 0.082 31.832 31.700 0.084 0.000 0.788 75 I N 0.571 121.179 120.570 0.062 0.000 2.664 75 I HA -0.108 4.062 4.170 -0.000 0.000 0.284 75 I C 1.664 177.878 176.117 0.162 0.000 1.154 75 I CA 0.352 61.723 61.300 0.118 0.000 1.402 75 I CB 0.347 38.458 38.000 0.185 0.000 1.395 75 I HN 0.010 nan 8.210 nan 0.000 0.545 76 K N 4.320 124.745 120.400 0.042 0.000 1.978 76 K HA -0.206 4.114 4.320 -0.000 0.000 0.214 76 K C 1.089 177.696 176.600 0.011 0.000 1.049 76 K CA 2.111 58.372 56.287 -0.043 0.000 0.939 76 K CB -0.178 32.327 32.500 0.007 0.000 0.721 76 K HN 0.749 nan 8.250 nan 0.000 0.441 77 D N -0.414 120.029 120.400 0.072 0.000 2.324 77 D HA 0.007 4.646 4.640 -0.000 0.000 0.235 77 D C 0.435 176.857 176.300 0.203 0.000 1.095 77 D CA 0.392 54.485 54.000 0.155 0.000 0.871 77 D CB -0.081 40.783 40.800 0.107 0.000 0.906 77 D HN 0.076 nan 8.370 nan 0.000 0.522 78 M N 0.341 119.987 119.600 0.076 0.000 2.508 78 M HA 0.400 4.880 4.480 -0.000 0.000 0.327 78 M C -0.478 175.491 176.300 -0.551 0.000 1.160 78 M CA -0.865 54.303 55.300 -0.219 0.000 0.980 78 M CB 2.664 35.126 32.600 -0.231 0.000 1.693 78 M HN -0.196 nan 8.290 nan 0.000 0.452 79 I N 2.833 122.917 120.570 -0.810 0.000 2.331 79 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 79 I C -0.484 175.061 176.117 -0.954 0.000 0.998 79 I CA -0.587 60.057 61.300 -1.092 0.000 1.267 79 I CB 0.662 37.738 38.000 -1.540 0.000 1.386 79 I HN 0.504 nan 8.210 nan 0.000 0.476 80 H N 7.518 126.384 119.070 -0.339 0.000 2.504 80 H HA 0.452 5.008 4.556 -0.000 0.000 0.322 80 H C -0.421 174.828 175.328 -0.131 0.000 1.055 80 H CA -0.517 55.405 56.048 -0.210 0.000 1.231 80 H CB 1.496 31.212 29.762 -0.077 0.000 1.417 80 H HN 0.400 nan 8.280 nan 0.000 0.472 81 I N 2.184 122.706 120.570 -0.080 0.000 2.315 81 I HA 0.058 4.228 4.170 -0.000 0.000 0.291 81 I C 0.346 176.501 176.117 0.064 0.000 1.006 81 I CA -0.296 61.000 61.300 -0.007 0.000 1.265 81 I CB 1.080 39.010 38.000 -0.117 0.000 1.387 81 I HN 0.354 nan 8.210 nan 0.000 0.475 82 S N 4.931 120.715 115.700 0.141 0.000 2.485 82 S HA 0.125 4.595 4.470 -0.000 0.000 0.312 82 S C -0.150 174.522 174.600 0.121 0.000 1.102 82 S CA -0.334 57.973 58.200 0.179 0.000 1.066 82 S CB -0.595 62.721 63.200 0.193 0.000 1.102 82 S HN 0.365 nan 8.310 nan 0.000 0.519 83 H N 2.551 121.590 119.070 -0.052 0.000 2.944 83 H HA 0.547 5.103 4.556 -0.000 0.000 0.278 83 H C 0.737 175.849 175.328 -0.360 0.000 1.083 83 H CA 1.200 57.159 56.048 -0.148 0.000 1.479 83 H CB -0.246 29.433 29.762 -0.138 0.000 1.486 83 H HN 0.843 nan 8.280 nan 0.000 0.493 84 G N 4.302 112.729 108.800 -0.623 0.000 2.278 84 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.265 84 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.265 84 G C -2.900 171.813 174.900 -0.311 0.000 1.329 84 G CA -0.998 43.555 45.100 -0.913 0.000 1.017 84 G HN 0.469 nan 8.290 nan 0.000 0.472 85 P HA 0.395 nan 4.420 nan 0.000 0.272 85 P C 0.355 177.617 177.300 -0.063 0.000 1.223 85 P CA -0.365 62.717 63.100 -0.030 0.000 0.784 85 P CB 1.133 32.815 31.700 -0.030 0.000 0.923 86 V N 2.212 122.108 119.914 -0.031 0.000 2.740 86 V HA 0.384 4.504 4.120 -0.000 0.000 0.303 86 V C 1.164 177.173 176.094 -0.142 0.000 1.054 86 V CA 2.180 64.437 62.300 -0.072 0.000 1.106 86 V CB 0.003 31.794 31.823 -0.053 0.000 0.957 86 V HN 0.943 nan 8.190 nan 0.000 0.486 87 G N 3.875 112.527 108.800 -0.248 0.000 3.826 87 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.194 87 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.194 87 G C 1.125 175.760 174.900 -0.441 0.000 2.087 87 G CA 0.385 45.219 45.100 -0.444 0.000 1.230 87 G HN 0.815 nan 8.290 nan 0.000 0.393 88 C N 2.131 121.308 119.300 -0.206 0.000 2.393 88 C HA 0.194 4.654 4.460 -0.000 0.000 0.276 88 C C 3.204 178.186 174.990 -0.014 0.000 1.215 88 C CA 2.218 61.122 59.018 -0.190 0.000 1.743 88 C CB -1.454 25.844 27.740 -0.736 0.000 2.044 88 C HN 0.871 nan 8.230 nan 0.000 0.464 89 G N -0.739 108.049 108.800 -0.020 0.000 2.432 89 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 89 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 89 G C 1.557 176.449 174.900 -0.013 0.000 1.135 89 G CA 1.154 46.306 45.100 0.087 0.000 0.767 89 G HN 0.583 nan 8.290 nan 0.000 0.550 90 Q N -0.161 119.531 119.800 -0.179 0.000 2.046 90 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 90 Q C 2.207 178.102 176.000 -0.175 0.000 0.975 90 Q CA 1.368 57.023 55.803 -0.246 0.000 0.836 90 Q CB -0.455 28.020 28.738 -0.438 0.000 0.896 90 Q HN 0.568 nan 8.270 nan 0.000 0.428 91 Y N -0.100 120.228 120.300 0.046 0.000 2.352 91 Y HA -0.034 4.516 4.550 -0.000 0.000 0.292 91 Y C 2.296 178.242 175.900 0.076 0.000 1.136 91 Y CA 1.176 59.308 58.100 0.053 0.000 1.227 91 Y CB -0.586 37.900 38.460 0.043 0.000 0.991 91 Y HN 0.262 nan 8.280 nan 0.000 0.545 92 S N -0.205 115.621 115.700 0.210 0.000 2.577 92 S HA 0.089 4.559 4.470 -0.000 0.000 0.219 92 S C 0.790 175.464 174.600 0.123 0.000 0.962 92 S CA -0.620 57.686 58.200 0.177 0.000 0.921 92 S CB -0.277 63.056 63.200 0.221 0.000 0.789 92 S HN 0.261 nan 8.310 nan 0.000 0.497 93 R N 1.737 122.296 120.500 0.099 0.000 2.343 93 R HA 0.390 4.730 4.340 -0.000 0.000 0.326 93 R C 0.659 177.014 176.300 0.092 0.000 1.055 93 R CA 0.710 56.857 56.100 0.079 0.000 0.961 93 R CB -0.339 29.986 30.300 0.042 0.000 0.978 93 R HN 0.483 nan 8.270 nan 0.000 0.443 94 A N 3.237 126.119 122.820 0.103 0.000 2.799 94 A HA -0.211 4.109 4.320 -0.000 0.000 0.287 94 A C 1.153 178.814 177.584 0.129 0.000 1.484 94 A CA 1.161 53.272 52.037 0.124 0.000 0.813 94 A CB -2.000 17.073 19.000 0.120 0.000 1.009 94 A HN 0.987 nan 8.150 nan 0.000 0.545 95 G N -1.026 107.846 108.800 0.119 0.000 2.426 95 G HA2 0.191 4.151 3.960 -0.000 0.000 0.214 95 G HA3 0.191 4.151 3.960 -0.000 0.000 0.214 95 G C 0.716 175.687 174.900 0.118 0.000 1.156 95 G CA 0.786 45.960 45.100 0.125 0.000 0.802 95 G HN 0.840 nan 8.290 nan 0.000 0.534 96 R N 0.550 121.104 120.500 0.090 0.000 2.312 96 R HA 0.383 4.723 4.340 -0.000 0.000 0.311 96 R C 0.007 176.358 176.300 0.086 0.000 1.004 96 R CA -0.619 55.513 56.100 0.053 0.000 0.902 96 R CB 0.558 30.864 30.300 0.009 0.000 1.073 96 R HN 0.010 nan 8.270 nan 0.000 0.457 97 R N 3.350 123.876 120.500 0.044 0.000 4.779 97 R HA 0.045 4.385 4.340 -0.000 0.000 0.217 97 R C -0.317 175.987 176.300 0.006 0.000 1.934 97 R CA -0.058 56.090 56.100 0.079 0.000 1.623 97 R CB -0.518 29.758 30.300 -0.040 0.000 1.364 97 R HN 0.602 nan 8.270 nan 0.000 0.799 98 N N 1.203 119.974 118.700 0.119 0.000 2.605 98 N HA -0.025 4.715 4.740 -0.000 0.000 0.258 98 N C -0.628 175.068 175.510 0.309 0.000 1.156 98 N CA -0.197 52.920 53.050 0.112 0.000 1.008 98 N CB 0.347 38.901 38.487 0.112 0.000 1.354 98 N HN 0.037 nan 8.380 nan 0.000 0.509 99 Y N 2.084 122.352 120.300 -0.053 0.000 2.652 99 Y HA 0.009 4.559 4.550 -0.000 0.000 0.344 99 Y C 0.483 176.383 175.900 0.000 0.000 1.254 99 Y CA -0.607 57.441 58.100 -0.086 0.000 1.480 99 Y CB -0.049 38.228 38.460 -0.306 0.000 1.345 99 Y HN 0.510 nan 8.280 nan 0.000 0.617 100 Y N -0.686 119.741 120.300 0.212 0.000 2.677 100 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 100 Y C -1.910 174.210 175.900 0.367 0.000 1.196 100 Y CA -1.855 56.431 58.100 0.311 0.000 1.059 100 Y CB 0.755 39.315 38.460 0.166 0.000 1.315 100 Y HN 0.206 nan 8.280 nan 0.000 0.455 101 I N 2.538 123.336 120.570 0.380 0.000 2.330 101 I HA 0.812 4.982 4.170 -0.000 0.000 0.289 101 I C 0.342 176.579 176.117 0.200 0.000 1.001 101 I CA -0.232 61.155 61.300 0.146 0.000 1.193 101 I CB 0.587 38.638 38.000 0.085 0.000 1.345 101 I HN 0.991 nan 8.210 nan 0.000 0.461 102 G N 4.114 112.986 108.800 0.120 0.000 2.441 102 G HA2 0.362 4.322 3.960 -0.000 0.000 0.294 102 G HA3 0.362 4.322 3.960 -0.000 0.000 0.294 102 G C -1.423 173.526 174.900 0.082 0.000 1.393 102 G CA -0.470 44.717 45.100 0.145 0.000 0.796 102 G HN 0.283 nan 8.290 nan 0.000 0.494 103 T N 1.937 116.514 114.554 0.038 0.000 3.029 103 T HA 0.477 4.827 4.350 -0.000 0.000 0.346 103 T C 0.359 175.055 174.700 -0.005 0.000 1.211 103 T CA -0.126 61.986 62.100 0.019 0.000 1.009 103 T CB 0.504 69.380 68.868 0.012 0.000 1.084 103 T HN 0.576 nan 8.240 nan 0.000 0.536 104 T N 2.750 117.331 114.554 0.045 0.000 2.866 104 T HA 0.348 4.698 4.350 -0.000 0.000 0.293 104 T C 1.578 176.312 174.700 0.057 0.000 1.005 104 T CA 1.145 63.268 62.100 0.038 0.000 1.162 104 T CB 0.314 69.255 68.868 0.123 0.000 0.968 104 T HN 0.933 nan 8.240 nan 0.000 0.530 105 G N 1.739 110.583 108.800 0.073 0.000 2.258 105 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.233 105 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.233 105 G C 0.965 176.123 174.900 0.430 0.000 1.006 105 G CA 0.715 46.017 45.100 0.338 0.000 0.620 105 G HN 1.132 nan 8.290 nan 0.000 0.511 106 V N -0.560 119.448 119.914 0.157 0.000 3.013 106 V HA 0.383 4.503 4.120 -0.000 0.000 0.238 106 V C 1.452 177.619 176.094 0.121 0.000 1.161 106 V CA 1.856 64.277 62.300 0.203 0.000 1.170 106 V CB 0.328 32.219 31.823 0.114 0.000 0.917 106 V HN 0.811 nan 8.190 nan 0.000 0.478 107 N N 1.056 119.654 118.700 -0.172 0.000 2.118 107 N HA 0.402 5.142 4.740 -0.000 0.000 0.226 107 N C -0.025 175.157 175.510 -0.546 0.000 1.305 107 N CA 0.651 53.592 53.050 -0.183 0.000 0.890 107 N CB 1.379 39.854 38.487 -0.021 0.000 1.118 107 N HN 0.740 nan 8.380 nan 0.000 0.511 108 A N 0.156 122.411 122.820 -0.943 0.000 2.449 108 A HA 0.717 5.037 4.320 -0.000 0.000 0.302 108 A C -1.412 175.457 177.584 -1.193 0.000 1.048 108 A CA -0.544 51.013 52.037 -0.800 0.000 0.708 108 A CB 0.674 19.557 19.000 -0.195 0.000 1.274 108 A HN 0.091 nan 8.150 nan 0.000 0.410 109 F N 1.537 121.449 119.950 -0.063 0.000 2.880 109 F HA 0.175 4.702 4.527 -0.000 0.000 0.328 109 F C 1.458 177.260 175.800 0.003 0.000 1.146 109 F CA -0.150 57.863 58.000 0.020 0.000 1.135 109 F CB 0.031 39.050 39.000 0.031 0.000 1.151 109 F HN 0.331 nan 8.300 nan 0.000 0.523 110 V N -0.316 119.513 119.914 -0.143 0.000 2.250 110 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 110 V C 2.334 178.461 176.094 0.055 0.000 1.060 110 V CA 2.722 64.947 62.300 -0.125 0.000 1.030 110 V CB -0.807 30.671 31.823 -0.576 0.000 0.643 110 V HN 0.420 nan 8.190 nan 0.000 0.445 111 T N 0.061 114.673 114.554 0.098 0.000 3.163 111 T HA 0.106 4.456 4.350 -0.000 0.000 0.260 111 T C 0.641 175.400 174.700 0.099 0.000 1.156 111 T CA 0.538 62.727 62.100 0.150 0.000 1.072 111 T CB -0.366 68.627 68.868 0.208 0.000 0.937 111 T HN 0.244 nan 8.240 nan 0.000 0.528 112 M N 1.261 120.918 119.600 0.095 0.000 2.471 112 M HA 0.395 4.875 4.480 -0.000 0.000 0.309 112 M C 0.032 176.306 176.300 -0.043 0.000 1.186 112 M CA -0.810 54.473 55.300 -0.027 0.000 1.008 112 M CB 0.943 33.465 32.600 -0.130 0.000 1.551 112 M HN -0.181 nan 8.290 nan 0.000 0.477 113 N N 1.165 119.746 118.700 -0.198 0.000 2.573 113 N HA 0.392 5.132 4.740 -0.000 0.000 0.262 113 N C -2.121 173.250 175.510 -0.230 0.000 1.029 113 N CA -0.265 52.724 53.050 -0.101 0.000 0.882 113 N CB 0.439 38.895 38.487 -0.051 0.000 1.204 113 N HN 0.370 nan 8.380 nan 0.000 0.519 114 F N 1.288 121.215 119.950 -0.039 0.000 2.404 114 F HA 0.583 5.110 4.527 -0.000 0.000 0.339 114 F C 1.210 176.999 175.800 -0.019 0.000 1.105 114 F CA -0.326 57.635 58.000 -0.066 0.000 1.087 114 F CB 2.028 40.937 39.000 -0.153 0.000 1.143 114 F HN 0.265 nan 8.300 nan 0.000 0.491 115 T N -0.280 114.366 114.554 0.153 0.000 2.853 115 T HA 0.306 4.656 4.350 -0.000 0.000 0.311 115 T C 0.290 175.083 174.700 0.154 0.000 1.307 115 T CA -0.329 61.849 62.100 0.129 0.000 1.019 115 T CB 1.197 70.107 68.868 0.070 0.000 1.264 115 T HN 0.572 nan 8.240 nan 0.000 0.497 116 S N 1.696 117.530 115.700 0.224 0.000 2.575 116 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 116 S C 0.621 175.389 174.600 0.281 0.000 0.966 116 S CA 0.713 59.097 58.200 0.305 0.000 0.911 116 S CB -0.446 63.108 63.200 0.590 0.000 0.780 116 S HN 0.936 nan 8.310 nan 0.000 0.514 117 D N 1.003 121.523 120.400 0.201 0.000 2.755 117 D HA -0.204 4.436 4.640 -0.000 0.000 0.227 117 D C -1.025 175.401 176.300 0.209 0.000 1.211 117 D CA 0.250 54.339 54.000 0.148 0.000 0.663 117 D CB -2.008 38.840 40.800 0.080 0.000 0.983 117 D HN 0.329 nan 8.370 nan 0.000 0.407 118 F N 0.868 120.803 119.950 -0.026 0.000 2.604 118 F HA 0.048 4.575 4.527 -0.000 0.000 0.393 118 F C 1.560 177.347 175.800 -0.022 0.000 1.043 118 F CA 0.510 58.489 58.000 -0.034 0.000 1.227 118 F CB 0.376 39.331 39.000 -0.075 0.000 1.016 118 F HN 0.130 nan 8.300 nan 0.000 0.556 119 Q N 2.217 122.032 119.800 0.025 0.000 2.252 119 Q HA 0.154 4.494 4.340 -0.000 0.000 0.256 119 Q C 1.338 177.338 176.000 0.000 0.000 1.020 119 Q CA -0.626 55.186 55.803 0.015 0.000 0.913 119 Q CB 0.902 29.632 28.738 -0.013 0.000 1.286 119 Q HN 0.693 nan 8.270 nan 0.000 0.480 120 E N 0.965 121.172 120.200 0.013 0.000 2.130 120 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 120 E C 1.416 178.018 176.600 0.002 0.000 0.998 120 E CA 2.048 58.455 56.400 0.011 0.000 0.806 120 E CB 0.196 29.902 29.700 0.010 0.000 0.738 120 E HN 0.504 nan 8.360 nan 0.000 0.459 121 K N -0.180 120.231 120.400 0.018 0.000 2.288 121 K HA -0.125 4.194 4.320 -0.000 0.000 0.201 121 K C 1.097 177.717 176.600 0.033 0.000 1.048 121 K CA 1.443 57.792 56.287 0.104 0.000 0.956 121 K CB 0.143 32.728 32.500 0.142 0.000 0.746 121 K HN 0.086 nan 8.250 nan 0.000 0.461 122 D N 1.021 121.321 120.400 -0.166 0.000 2.224 122 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 122 D C 1.851 178.001 176.300 -0.250 0.000 0.965 122 D CA 0.814 54.541 54.000 -0.455 0.000 0.852 122 D CB 0.031 40.116 40.800 -1.193 0.000 0.947 122 D HN 0.222 nan 8.370 nan 0.000 0.494 123 I N 0.476 121.023 120.570 -0.038 0.000 2.277 123 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 123 I C 2.486 178.596 176.117 -0.013 0.000 1.094 123 I CA 0.599 61.950 61.300 0.085 0.000 1.393 123 I CB -0.201 37.855 38.000 0.093 0.000 1.078 123 I HN -0.180 nan 8.210 nan 0.000 0.417 124 V N -0.188 119.668 119.914 -0.097 0.000 2.261 124 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 124 V C 1.937 177.818 176.094 -0.355 0.000 1.047 124 V CA 1.918 64.049 62.300 -0.283 0.000 1.015 124 V CB -0.623 30.923 31.823 -0.463 0.000 0.642 124 V HN 0.268 nan 8.190 nan 0.000 0.446 125 F N 0.235 120.161 119.950 -0.041 0.000 2.765 125 F HA 0.533 5.060 4.527 -0.000 0.000 0.302 125 F C 1.249 177.028 175.800 -0.034 0.000 1.111 125 F CA 0.573 58.550 58.000 -0.038 0.000 1.359 125 F CB -0.167 38.803 39.000 -0.050 0.000 1.097 125 F HN 0.290 nan 8.300 nan 0.000 0.577 126 G N -0.157 108.700 108.800 0.095 0.000 2.675 126 G HA2 0.110 4.070 3.960 -0.000 0.000 0.686 126 G HA3 0.110 4.070 3.960 -0.000 0.000 0.686 126 G C 0.548 175.465 174.900 0.029 0.000 1.215 126 G CA -0.612 44.538 45.100 0.085 0.000 0.777 126 G HN 0.443 nan 8.290 nan 0.000 0.638 127 G N -0.705 108.171 108.800 0.126 0.000 3.159 127 G HA2 0.358 4.318 3.960 -0.000 0.000 0.232 127 G HA3 0.358 4.318 3.960 -0.000 0.000 0.232 127 G C 0.893 175.936 174.900 0.238 0.000 1.116 127 G CA 1.253 46.440 45.100 0.146 0.000 0.767 127 G HN 0.625 nan 8.290 nan 0.000 0.547 128 D N 1.401 121.903 120.400 0.169 0.000 2.117 128 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 128 D C 2.228 178.567 176.300 0.066 0.000 0.987 128 D CA 0.851 54.925 54.000 0.123 0.000 0.829 128 D CB 0.150 41.001 40.800 0.084 0.000 0.961 128 D HN 0.281 nan 8.370 nan 0.000 0.460 129 K N 0.587 121.011 120.400 0.041 0.000 2.148 129 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 129 K C 2.079 178.685 176.600 0.010 0.000 1.050 129 K CA 0.578 56.872 56.287 0.013 0.000 0.942 129 K CB 0.084 32.581 32.500 -0.005 0.000 0.724 129 K HN -0.002 nan 8.250 nan 0.000 0.446 130 K N 1.311 121.723 120.400 0.020 0.000 2.148 130 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 130 K C 2.058 178.692 176.600 0.058 0.000 1.050 130 K CA 0.617 56.919 56.287 0.024 0.000 0.942 130 K CB 0.071 32.567 32.500 -0.007 0.000 0.724 130 K HN 0.090 nan 8.250 nan 0.000 0.446 131 L N 0.377 121.650 121.223 0.084 0.000 2.056 131 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 131 L C 2.338 179.172 176.870 -0.060 0.000 1.078 131 L CA 1.390 56.217 54.840 -0.023 0.000 0.749 131 L CB -0.409 41.587 42.059 -0.104 0.000 0.901 131 L HN 0.279 nan 8.230 nan 0.000 0.433 132 A N 0.038 122.838 122.820 -0.033 0.000 1.902 132 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 132 A C 2.214 179.778 177.584 -0.033 0.000 1.181 132 A CA 1.962 53.975 52.037 -0.040 0.000 0.623 132 A CB -0.440 18.546 19.000 -0.024 0.000 0.818 132 A HN 0.321 nan 8.150 nan 0.000 0.443 133 K N 0.089 120.478 120.400 -0.018 0.000 2.057 133 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 133 K C 1.816 178.410 176.600 -0.010 0.000 1.049 133 K CA 1.639 57.918 56.287 -0.012 0.000 0.931 133 K CB -0.687 31.809 32.500 -0.007 0.000 0.714 133 K HN 0.421 nan 8.250 nan 0.000 0.440 134 L N 0.303 121.521 121.223 -0.008 0.000 2.012 134 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 134 L C 2.128 178.979 176.870 -0.033 0.000 1.073 134 L CA 1.583 56.421 54.840 -0.004 0.000 0.748 134 L CB -0.213 41.843 42.059 -0.005 0.000 0.891 134 L HN 0.250 nan 8.230 nan 0.000 0.431 135 I N -0.278 120.250 120.570 -0.070 0.000 2.361 135 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 135 I C 1.871 177.952 176.117 -0.061 0.000 1.133 135 I CA 1.063 62.307 61.300 -0.094 0.000 1.413 135 I CB -0.493 37.438 38.000 -0.114 0.000 1.073 135 I HN 0.348 nan 8.210 nan 0.000 0.424 136 D N 0.793 121.171 120.400 -0.037 0.000 2.149 136 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 136 D C 2.062 178.358 176.300 -0.007 0.000 0.972 136 D CA 1.072 55.057 54.000 -0.024 0.000 0.835 136 D CB -0.099 40.690 40.800 -0.019 0.000 0.966 136 D HN 0.450 nan 8.370 nan 0.000 0.476 137 E N 0.481 120.687 120.200 0.010 0.000 2.106 137 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 137 E C 2.297 178.948 176.600 0.085 0.000 0.984 137 E CA 0.420 56.843 56.400 0.038 0.000 0.806 137 E CB 0.133 29.867 29.700 0.056 0.000 0.750 137 E HN 0.069 nan 8.360 nan 0.000 0.458 138 V N 1.884 121.850 119.914 0.086 0.000 2.343 138 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 138 V C 2.290 178.450 176.094 0.110 0.000 1.051 138 V CA 1.641 64.028 62.300 0.145 0.000 1.036 138 V CB -0.334 31.435 31.823 -0.089 0.000 0.654 138 V HN 0.179 nan 8.190 nan 0.000 0.451 139 E N -0.012 120.192 120.200 0.007 0.000 2.110 139 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 139 E C 2.331 178.929 176.600 -0.004 0.000 0.988 139 E CA 1.775 58.169 56.400 -0.011 0.000 0.804 139 E CB -0.409 29.272 29.700 -0.031 0.000 0.745 139 E HN 0.601 nan 8.360 nan 0.000 0.458 140 T N 1.052 115.599 114.554 -0.011 0.000 2.812 140 T HA 0.006 4.356 4.350 -0.000 0.000 0.264 140 T C 1.985 176.624 174.700 -0.101 0.000 1.042 140 T CA 0.652 62.727 62.100 -0.040 0.000 1.140 140 T CB -0.021 68.826 68.868 -0.035 0.000 0.870 140 T HN 0.099 nan 8.240 nan 0.000 0.445 141 L N -0.726 120.398 121.223 -0.166 0.000 2.446 141 L HA 0.265 4.605 4.340 -0.000 0.000 0.219 141 L C 0.001 176.337 176.870 -0.890 0.000 1.116 141 L CA 0.601 55.138 54.840 -0.506 0.000 0.844 141 L CB 0.099 41.796 42.059 -0.603 0.000 0.970 141 L HN 0.189 nan 8.230 nan 0.000 0.457 142 F N -0.368 119.585 119.950 0.005 0.000 2.593 142 F HA 0.299 4.826 4.527 -0.000 0.000 0.336 142 F C -1.581 174.204 175.800 -0.025 0.000 1.491 142 F CA -1.718 56.285 58.000 0.006 0.000 1.114 142 F CB 0.320 39.231 39.000 -0.148 0.000 1.468 142 F HN -0.179 nan 8.300 nan 0.000 0.579 143 P HA -0.157 nan 4.420 nan 0.000 0.223 143 P C 1.242 178.596 177.300 0.091 0.000 1.144 143 P CA 1.097 64.232 63.100 0.058 0.000 0.783 143 P CB 0.623 32.339 31.700 0.027 0.000 0.771 144 L N -0.031 121.294 121.223 0.170 0.000 2.592 144 L HA 0.116 4.456 4.340 -0.000 0.000 0.227 144 L C 0.907 177.922 176.870 0.242 0.000 1.127 144 L CA -0.086 54.868 54.840 0.190 0.000 0.884 144 L CB -1.717 40.465 42.059 0.205 0.000 1.065 144 L HN 0.053 nan 8.230 nan 0.000 0.457 145 N N -0.462 118.349 118.700 0.185 0.000 2.479 145 N HA -0.017 4.723 4.740 -0.000 0.000 0.257 145 N C 0.230 175.759 175.510 0.032 0.000 1.232 145 N CA 0.278 53.376 53.050 0.079 0.000 0.920 145 N CB 0.368 38.633 38.487 -0.369 0.000 1.105 145 N HN 0.008 nan 8.380 nan 0.000 0.444 146 K N 0.724 121.150 120.400 0.042 0.000 2.576 146 K HA 0.331 4.651 4.320 -0.000 0.000 0.209 146 K C -0.224 176.357 176.600 -0.031 0.000 1.049 146 K CA -0.420 55.877 56.287 0.015 0.000 1.140 146 K CB 0.274 32.801 32.500 0.045 0.000 0.871 146 K HN 0.818 nan 8.250 nan 0.000 0.479 147 G N 0.906 109.646 108.800 -0.100 0.000 2.345 147 G HA2 0.183 4.143 3.960 -0.000 0.000 0.310 147 G HA3 0.183 4.143 3.960 -0.000 0.000 0.310 147 G C -1.738 173.010 174.900 -0.253 0.000 1.476 147 G CA -1.041 43.979 45.100 -0.132 0.000 0.978 147 G HN 0.060 nan 8.290 nan 0.000 0.656 148 I N 0.764 121.170 120.570 -0.275 0.000 2.647 148 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 148 I C 0.170 176.052 176.117 -0.391 0.000 1.078 148 I CA -0.968 60.105 61.300 -0.379 0.000 1.048 148 I CB 2.555 40.342 38.000 -0.355 0.000 1.239 148 I HN 0.787 nan 8.210 nan 0.000 0.421 149 S N 4.737 120.179 115.700 -0.430 0.000 2.526 149 S HA 0.744 5.214 4.470 -0.000 0.000 0.293 149 S C -0.837 173.522 174.600 -0.401 0.000 1.092 149 S CA -0.707 57.187 58.200 -0.510 0.000 0.980 149 S CB 2.070 64.876 63.200 -0.656 0.000 1.048 149 S HN 0.578 nan 8.310 nan 0.000 0.483 150 V N 2.147 121.811 119.914 -0.416 0.000 2.350 150 V HA 0.552 4.672 4.120 -0.000 0.000 0.285 150 V C -0.989 174.959 176.094 -0.243 0.000 1.014 150 V CA -0.474 61.645 62.300 -0.302 0.000 0.831 150 V CB 1.339 32.955 31.823 -0.345 0.000 1.000 150 V HN 0.930 nan 8.190 nan 0.000 0.433 151 Q N 4.076 123.797 119.800 -0.131 0.000 2.349 151 Q HA 0.418 4.758 4.340 -0.000 0.000 0.254 151 Q C 0.102 176.141 176.000 0.065 0.000 0.980 151 Q CA -0.035 55.733 55.803 -0.059 0.000 0.924 151 Q CB 1.541 30.263 28.738 -0.027 0.000 1.209 151 Q HN 0.838 nan 8.270 nan 0.000 0.445 152 S N 2.759 118.466 115.700 0.012 0.000 2.531 152 S HA 0.111 4.581 4.470 -0.000 0.000 0.279 152 S C 0.265 174.854 174.600 -0.019 0.000 1.305 152 S CA -0.198 57.991 58.200 -0.018 0.000 1.058 152 S CB 0.752 63.912 63.200 -0.067 0.000 0.899 152 S HN 0.388 nan 8.310 nan 0.000 0.493 153 E N 0.908 121.020 120.200 -0.146 0.000 2.254 153 E HA 0.255 4.605 4.350 -0.000 0.000 0.258 153 E C 0.859 177.351 176.600 -0.181 0.000 1.033 153 E CA -0.913 55.344 56.400 -0.237 0.000 0.893 153 E CB 0.575 30.060 29.700 -0.358 0.000 1.204 153 E HN 0.609 nan 8.360 nan 0.000 0.425 154 C N 1.233 120.463 119.300 -0.117 0.000 2.318 154 C HA -0.194 4.266 4.460 -0.000 0.000 0.272 154 C C -0.432 174.631 174.990 0.123 0.000 1.156 154 C CA 1.204 60.271 59.018 0.082 0.000 1.783 154 C CB -1.889 25.958 27.740 0.178 0.000 2.023 154 C HN 0.749 nan 8.230 nan 0.000 0.437 155 P HA -0.127 nan 4.420 nan 0.000 0.217 155 P C 1.372 178.631 177.300 -0.068 0.000 1.151 155 P CA 1.475 64.547 63.100 -0.046 0.000 0.849 155 P CB -0.296 31.332 31.700 -0.120 0.000 0.787 156 I N -1.330 119.133 120.570 -0.178 0.000 2.493 156 I HA -0.087 4.083 4.170 -0.000 0.000 0.254 156 I C 2.228 178.334 176.117 -0.018 0.000 1.160 156 I CA 1.767 62.972 61.300 -0.158 0.000 1.445 156 I CB -1.965 35.892 38.000 -0.238 0.000 1.086 156 I HN 0.030 nan 8.210 nan 0.000 0.433 157 G N -0.038 108.793 108.800 0.052 0.000 2.603 157 G HA2 0.070 4.030 3.960 -0.000 0.000 0.214 157 G HA3 0.070 4.030 3.960 -0.000 0.000 0.214 157 G C 1.752 176.792 174.900 0.232 0.000 1.140 157 G CA -0.045 45.140 45.100 0.141 0.000 0.800 157 G HN 0.268 nan 8.290 nan 0.000 0.533 158 L N 0.816 122.152 121.223 0.188 0.000 2.071 158 L HA 0.167 4.507 4.340 -0.000 0.000 0.201 158 L C 2.634 179.525 176.870 0.035 0.000 1.076 158 L CA 0.779 55.658 54.840 0.066 0.000 0.755 158 L CB -0.437 41.610 42.059 -0.020 0.000 0.915 158 L HN 0.293 nan 8.230 nan 0.000 0.445 159 I N -1.373 119.218 120.570 0.035 0.000 3.241 159 I HA 0.118 4.288 4.170 -0.000 0.000 0.280 159 I C 1.136 177.278 176.117 0.041 0.000 1.320 159 I CA 0.603 61.922 61.300 0.032 0.000 1.413 159 I CB -1.125 36.904 38.000 0.048 0.000 1.060 159 I HN 0.372 nan 8.210 nan 0.000 0.500 160 G N 2.038 110.867 108.800 0.047 0.000 2.323 160 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 160 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 160 G C -0.285 174.646 174.900 0.052 0.000 1.040 160 G CA 0.439 45.567 45.100 0.046 0.000 0.942 160 G HN 0.572 nan 8.290 nan 0.000 0.506 161 D N -0.106 120.332 120.400 0.063 0.000 2.423 161 D HA 0.267 4.907 4.640 -0.000 0.000 0.238 161 D C 0.482 176.821 176.300 0.066 0.000 1.142 161 D CA -0.096 53.954 54.000 0.085 0.000 0.884 161 D CB 0.749 41.627 40.800 0.130 0.000 1.199 161 D HN 0.133 nan 8.370 nan 0.000 0.438 162 D N 2.010 122.447 120.400 0.062 0.000 2.741 162 D HA 0.057 4.697 4.640 -0.000 0.000 0.233 162 D C 1.471 177.786 176.300 0.025 0.000 1.160 162 D CA -0.289 53.737 54.000 0.042 0.000 1.003 162 D CB -0.306 40.518 40.800 0.040 0.000 1.064 162 D HN 0.422 nan 8.370 nan 0.000 0.503 163 I N -0.871 119.705 120.570 0.011 0.000 2.493 163 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 163 I C 1.629 177.681 176.117 -0.108 0.000 1.160 163 I CA 0.735 62.005 61.300 -0.049 0.000 1.445 163 I CB -0.060 37.900 38.000 -0.067 0.000 1.086 163 I HN -0.012 nan 8.210 nan 0.000 0.433 164 E N 1.527 121.689 120.200 -0.063 0.000 2.152 164 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 164 E C 2.166 178.785 176.600 0.032 0.000 0.983 164 E CA 1.350 57.724 56.400 -0.044 0.000 0.818 164 E CB -0.632 29.152 29.700 0.139 0.000 0.758 164 E HN 0.558 nan 8.360 nan 0.000 0.467 165 S N 0.850 116.572 115.700 0.036 0.000 2.356 165 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 165 S C 2.174 176.782 174.600 0.014 0.000 1.032 165 S CA 1.200 59.426 58.200 0.044 0.000 1.005 165 S CB -0.217 63.005 63.200 0.037 0.000 0.867 165 S HN 0.151 nan 8.310 nan 0.000 0.449 166 V N 1.495 121.398 119.914 -0.019 0.000 2.343 166 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 166 V C 2.652 178.702 176.094 -0.075 0.000 1.051 166 V CA 2.107 64.381 62.300 -0.043 0.000 1.036 166 V CB -1.019 30.768 31.823 -0.060 0.000 0.654 166 V HN 0.474 nan 8.190 nan 0.000 0.451 167 S N -0.454 115.170 115.700 -0.126 0.000 2.348 167 S HA -0.243 4.227 4.470 -0.000 0.000 0.221 167 S C 2.021 176.587 174.600 -0.057 0.000 1.033 167 S CA 1.894 59.980 58.200 -0.190 0.000 1.010 167 S CB -0.311 62.629 63.200 -0.433 0.000 0.891 167 S HN 0.618 nan 8.310 nan 0.000 0.442 168 K N 1.106 121.540 120.400 0.057 0.000 2.032 168 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 168 K C 1.993 178.637 176.600 0.073 0.000 1.048 168 K CA 1.416 57.799 56.287 0.160 0.000 0.927 168 K CB -0.306 32.313 32.500 0.200 0.000 0.712 168 K HN 0.160 nan 8.250 nan 0.000 0.441 169 V N 1.868 121.805 119.914 0.037 0.000 2.261 169 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 169 V C 2.318 178.413 176.094 0.001 0.000 1.047 169 V CA 1.737 64.048 62.300 0.018 0.000 1.015 169 V CB -0.358 31.471 31.823 0.010 0.000 0.642 169 V HN 0.309 nan 8.190 nan 0.000 0.446 170 K N 0.456 120.844 120.400 -0.019 0.000 2.155 170 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 170 K C 2.196 178.778 176.600 -0.030 0.000 1.052 170 K CA 1.270 57.537 56.287 -0.033 0.000 0.948 170 K CB -0.932 31.532 32.500 -0.059 0.000 0.728 170 K HN 0.536 nan 8.250 nan 0.000 0.448 171 G N 1.354 110.142 108.800 -0.021 0.000 2.418 171 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 171 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 171 G C 1.696 176.604 174.900 0.012 0.000 1.158 171 G CA 1.141 46.238 45.100 -0.005 0.000 0.771 171 G HN 0.372 nan 8.290 nan 0.000 0.545 172 A N 0.424 123.258 122.820 0.023 0.000 1.929 172 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 172 A C 2.131 179.720 177.584 0.009 0.000 1.176 172 A CA 1.876 53.926 52.037 0.022 0.000 0.628 172 A CB -0.408 18.607 19.000 0.026 0.000 0.816 172 A HN 0.460 nan 8.150 nan 0.000 0.444 173 E N -0.050 120.152 120.200 0.002 0.000 2.058 173 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 173 E C 1.430 178.026 176.600 -0.007 0.000 0.997 173 E CA 1.328 57.726 56.400 -0.003 0.000 0.801 173 E CB -0.151 29.543 29.700 -0.009 0.000 0.746 173 E HN 0.628 nan 8.360 nan 0.000 0.450 174 L N 0.079 121.294 121.223 -0.013 0.000 2.607 174 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 174 L C 0.525 177.388 176.870 -0.010 0.000 1.123 174 L CA -0.183 54.647 54.840 -0.016 0.000 0.890 174 L CB 0.390 42.431 42.059 -0.030 0.000 1.103 174 L HN -0.075 nan 8.230 nan 0.000 0.468 175 S N 0.736 116.434 115.700 -0.002 0.000 3.706 175 S HA -0.158 4.312 4.470 -0.000 0.000 0.363 175 S C 0.011 174.612 174.600 0.002 0.000 0.999 175 S CA 0.990 59.193 58.200 0.005 0.000 1.143 175 S CB -1.105 62.099 63.200 0.007 0.000 0.902 175 S HN 0.514 nan 8.310 nan 0.000 0.476 176 K N -0.014 120.383 120.400 -0.005 0.000 2.444 176 K HA 0.496 4.816 4.320 -0.000 0.000 0.252 176 K C -0.417 176.179 176.600 -0.007 0.000 0.993 176 K CA -0.930 55.348 56.287 -0.015 0.000 0.847 176 K CB 1.450 33.922 32.500 -0.046 0.000 1.340 176 K HN 0.052 nan 8.250 nan 0.000 0.446 177 T N 2.167 116.715 114.554 -0.010 0.000 2.729 177 T HA 0.379 4.729 4.350 -0.000 0.000 0.296 177 T C 0.052 174.709 174.700 -0.072 0.000 0.928 177 T CA -0.221 61.885 62.100 0.010 0.000 1.045 177 T CB -0.091 68.801 68.868 0.039 0.000 0.902 177 T HN 0.282 nan 8.240 nan 0.000 0.500 178 I N 3.712 124.221 120.570 -0.101 0.000 2.411 178 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 178 I C -0.480 175.392 176.117 -0.408 0.000 1.012 178 I CA -1.033 60.121 61.300 -0.243 0.000 1.119 178 I CB 1.748 39.612 38.000 -0.225 0.000 1.261 178 I HN 0.276 nan 8.210 nan 0.000 0.448 179 V N 8.496 128.108 119.914 -0.503 0.000 2.333 179 V HA 0.300 4.420 4.120 -0.000 0.000 0.274 179 V C -2.095 173.511 176.094 -0.814 0.000 1.028 179 V CA -1.600 60.256 62.300 -0.741 0.000 0.851 179 V CB 1.158 32.592 31.823 -0.648 0.000 1.000 179 V HN 0.546 nan 8.190 nan 0.000 0.456 180 P HA 0.351 nan 4.420 nan 0.000 0.287 180 P C -0.942 176.066 177.300 -0.486 0.000 1.281 180 P CA -0.248 62.468 63.100 -0.640 0.000 0.781 180 P CB 1.842 33.180 31.700 -0.604 0.000 0.903 181 V N 5.649 125.349 119.914 -0.358 0.000 2.444 181 V HA 0.328 4.448 4.120 -0.000 0.000 0.294 181 V C 0.876 176.881 176.094 -0.149 0.000 1.022 181 V CA -0.646 61.513 62.300 -0.235 0.000 0.850 181 V CB 1.971 33.619 31.823 -0.291 0.000 0.992 181 V HN 0.385 nan 8.190 nan 0.000 0.426 182 R N 2.722 123.162 120.500 -0.101 0.000 4.496 182 R HA 0.151 4.491 4.340 -0.000 0.000 0.211 182 R C 0.630 176.861 176.300 -0.115 0.000 1.738 182 R CA -0.117 55.926 56.100 -0.094 0.000 1.528 182 R CB -0.170 30.089 30.300 -0.069 0.000 1.414 182 R HN 0.934 nan 8.270 nan 0.000 0.812 183 C N -1.174 118.063 119.300 -0.105 0.000 2.319 183 C HA 0.294 4.754 4.460 -0.000 0.000 0.350 183 C C 0.105 175.009 174.990 -0.143 0.000 1.326 183 C CA -1.186 57.767 59.018 -0.108 0.000 1.737 183 C CB -1.608 26.094 27.740 -0.064 0.000 1.988 183 C HN 0.331 nan 8.230 nan 0.000 0.582 184 E N 1.374 121.416 120.200 -0.263 0.000 2.765 184 E HA 0.265 4.615 4.350 -0.000 0.000 0.256 184 E C 1.573 177.862 176.600 -0.520 0.000 0.935 184 E CA 0.932 57.060 56.400 -0.452 0.000 0.954 184 E CB 0.246 29.449 29.700 -0.829 0.000 0.908 184 E HN 0.612 nan 8.360 nan 0.000 0.500 185 G N 2.815 111.432 108.800 -0.305 0.000 2.485 185 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.221 185 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.221 185 G C 1.040 175.847 174.900 -0.156 0.000 1.115 185 G CA 1.015 46.018 45.100 -0.162 0.000 0.751 185 G HN 0.659 nan 8.290 nan 0.000 0.567 186 F N 0.415 120.351 119.950 -0.024 0.000 2.710 186 F HA 0.432 4.959 4.527 -0.000 0.000 0.298 186 F C 1.253 177.039 175.800 -0.023 0.000 1.137 186 F CA -1.071 56.914 58.000 -0.024 0.000 1.444 186 F CB -0.224 38.759 39.000 -0.028 0.000 1.111 186 F HN -0.144 nan 8.300 nan 0.000 0.580 187 R N 1.522 121.805 120.500 -0.362 0.000 2.594 187 R HA 0.434 4.774 4.340 -0.000 0.000 0.272 187 R C 0.942 177.196 176.300 -0.075 0.000 1.074 187 R CA 0.488 56.496 56.100 -0.152 0.000 1.105 187 R CB 0.033 30.182 30.300 -0.252 0.000 1.008 187 R HN 0.532 nan 8.270 nan 0.000 0.472 188 G N 0.061 108.847 108.800 -0.023 0.000 2.642 188 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.231 188 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.231 188 G C 0.234 175.138 174.900 0.005 0.000 1.338 188 G CA -0.189 44.900 45.100 -0.019 0.000 0.883 188 G HN 0.839 nan 8.290 nan 0.000 0.570 189 V N -3.744 116.172 119.914 0.003 0.000 3.392 189 V HA 0.735 4.855 4.120 -0.000 0.000 0.294 189 V C 0.512 176.621 176.094 0.025 0.000 1.561 189 V CA 1.608 63.922 62.300 0.022 0.000 1.056 189 V CB -0.153 31.689 31.823 0.032 0.000 0.882 189 V HN 2.672 nan 8.190 nan 0.000 0.440 190 S N -0.951 114.739 115.700 -0.017 0.000 2.669 190 S HA 0.357 4.827 4.470 -0.000 0.000 0.266 190 S C 0.105 174.563 174.600 -0.237 0.000 1.149 190 S CA 0.016 58.181 58.200 -0.057 0.000 0.842 190 S CB 1.390 64.626 63.200 0.061 0.000 1.160 190 S HN 0.038 nan 8.310 nan 0.000 0.487 191 Q N 0.982 120.507 119.800 -0.459 0.000 2.297 191 Q HA 0.001 4.341 4.340 -0.000 0.000 0.208 191 Q C 2.107 177.547 176.000 -0.934 0.000 0.981 191 Q CA 1.660 57.043 55.803 -0.700 0.000 0.876 191 Q CB -0.484 27.688 28.738 -0.944 0.000 0.921 191 Q HN 0.657 nan 8.270 nan 0.000 0.446 192 S N 0.178 115.399 115.700 -0.798 0.000 2.359 192 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 192 S C 1.668 176.125 174.600 -0.239 0.000 1.039 192 S CA 1.255 59.177 58.200 -0.464 0.000 1.042 192 S CB -0.273 63.012 63.200 0.141 0.000 0.915 192 S HN 0.411 nan 8.310 nan 0.000 0.439 193 L N 1.588 122.729 121.223 -0.136 0.000 2.191 193 L HA 0.116 4.456 4.340 -0.000 0.000 0.212 193 L C 2.257 179.050 176.870 -0.127 0.000 1.103 193 L CA 1.753 56.546 54.840 -0.078 0.000 0.769 193 L CB -1.206 40.808 42.059 -0.075 0.000 0.908 193 L HN 0.414 nan 8.230 nan 0.000 0.438 194 G N -1.767 106.907 108.800 -0.210 0.000 2.418 194 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 194 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 194 G C 1.366 176.234 174.900 -0.053 0.000 1.158 194 G CA 1.054 46.058 45.100 -0.160 0.000 0.771 194 G HN 0.588 nan 8.290 nan 0.000 0.545 195 H N -1.295 117.723 119.070 -0.087 0.000 2.319 195 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 195 H C 2.527 177.809 175.328 -0.077 0.000 1.092 195 H CA 1.184 57.209 56.048 -0.039 0.000 1.302 195 H CB -0.033 29.760 29.762 0.052 0.000 1.373 195 H HN 0.284 nan 8.280 nan 0.000 0.497 196 H N 1.012 119.919 119.070 -0.271 0.000 2.321 196 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 196 H C 2.267 177.413 175.328 -0.303 0.000 1.087 196 H CA 1.572 57.207 56.048 -0.688 0.000 1.319 196 H CB -0.267 29.020 29.762 -0.791 0.000 1.379 196 H HN 0.300 nan 8.280 nan 0.000 0.501 197 I N 0.235 120.772 120.570 -0.055 0.000 2.226 197 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 197 I C 2.839 179.008 176.117 0.087 0.000 1.100 197 I CA 1.080 62.355 61.300 -0.041 0.000 1.374 197 I CB -0.425 37.538 38.000 -0.061 0.000 1.057 197 I HN 0.246 nan 8.210 nan 0.000 0.413 198 A N 0.782 123.685 122.820 0.138 0.000 1.877 198 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 198 A C 2.144 179.875 177.584 0.244 0.000 1.186 198 A CA 1.978 54.198 52.037 0.304 0.000 0.620 198 A CB -0.936 18.185 19.000 0.201 0.000 0.822 198 A HN 0.469 nan 8.150 nan 0.000 0.443 199 N N -0.139 118.644 118.700 0.138 0.000 2.069 199 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 199 N C 1.034 176.642 175.510 0.164 0.000 1.031 199 N CA 1.577 54.714 53.050 0.145 0.000 0.852 199 N CB -0.293 38.280 38.487 0.143 0.000 1.018 199 N HN 0.406 nan 8.380 nan 0.000 0.423 200 D N 0.878 121.366 120.400 0.147 0.000 2.182 200 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 200 D C 1.796 178.210 176.300 0.191 0.000 0.986 200 D CA 0.606 54.676 54.000 0.117 0.000 0.847 200 D CB -0.210 40.628 40.800 0.063 0.000 0.942 200 D HN 0.266 nan 8.370 nan 0.000 0.467 201 A N 0.490 123.484 122.820 0.291 0.000 1.873 201 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 201 A C 2.538 180.442 177.584 0.533 0.000 1.186 201 A CA 0.966 53.267 52.037 0.441 0.000 0.616 201 A CB -0.719 18.509 19.000 0.380 0.000 0.823 201 A HN 0.125 nan 8.150 nan 0.000 0.442 202 V N 0.407 120.615 119.914 0.489 0.000 2.287 202 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 202 V C 2.687 178.937 176.094 0.260 0.000 1.053 202 V CA 2.451 64.959 62.300 0.346 0.000 1.027 202 V CB -0.835 31.046 31.823 0.096 0.000 0.646 202 V HN 0.682 nan 8.190 nan 0.000 0.447 203 R N 0.080 120.686 120.500 0.175 0.000 2.080 203 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 203 R C 2.022 178.328 176.300 0.010 0.000 1.137 203 R CA 2.388 58.501 56.100 0.021 0.000 0.943 203 R CB -0.455 29.721 30.300 -0.206 0.000 0.846 203 R HN 0.524 nan 8.270 nan 0.000 0.431 204 D N -1.307 119.105 120.400 0.019 0.000 2.224 204 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 204 D C 1.214 177.302 176.300 -0.354 0.000 0.965 204 D CA 1.074 54.969 54.000 -0.175 0.000 0.852 204 D CB -0.066 40.600 40.800 -0.224 0.000 0.947 204 D HN 0.421 nan 8.370 nan 0.000 0.494 205 W N -0.541 120.798 121.300 0.065 0.000 2.865 205 W HA 0.205 4.865 4.660 -0.000 0.000 0.300 205 W C 1.721 178.283 176.519 0.070 0.000 1.096 205 W CA -0.111 57.266 57.345 0.053 0.000 1.524 205 W CB 0.376 29.852 29.460 0.026 0.000 0.991 205 W HN -0.248 nan 8.180 nan 0.000 0.571 206 V N -0.786 119.298 119.914 0.282 0.000 3.058 206 V HA -0.015 4.105 4.120 -0.000 0.000 0.233 206 V C 1.741 177.920 176.094 0.141 0.000 1.255 206 V CA 0.229 62.650 62.300 0.201 0.000 1.267 206 V CB -0.752 31.198 31.823 0.212 0.000 1.049 206 V HN -0.115 nan 8.190 nan 0.000 0.486 207 L N 2.085 123.408 121.223 0.167 0.000 2.089 207 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 207 L C 2.004 178.982 176.870 0.181 0.000 1.079 207 L CA 2.531 57.487 54.840 0.194 0.000 0.758 207 L CB -0.958 41.277 42.059 0.292 0.000 0.891 207 L HN 0.387 nan 8.230 nan 0.000 0.433 208 G N -2.107 106.799 108.800 0.176 0.000 3.181 208 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.219 208 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.219 208 G C 1.444 176.409 174.900 0.108 0.000 1.182 208 G CA -0.076 45.131 45.100 0.179 0.000 0.791 208 G HN 0.338 nan 8.290 nan 0.000 0.537 209 K N 0.321 120.770 120.400 0.082 0.000 2.103 209 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 209 K C 1.734 178.363 176.600 0.047 0.000 1.048 209 K CA 0.812 57.134 56.287 0.058 0.000 0.930 209 K CB -0.012 32.520 32.500 0.053 0.000 0.716 209 K HN 0.192 nan 8.250 nan 0.000 0.444 210 R N 0.612 121.134 120.500 0.037 0.000 2.609 210 R HA 0.060 4.400 4.340 -0.000 0.000 0.326 210 R C 0.222 176.549 176.300 0.044 0.000 1.090 210 R CA -0.177 55.940 56.100 0.028 0.000 1.072 210 R CB 0.392 30.689 30.300 -0.005 0.000 1.330 210 R HN 0.099 nan 8.270 nan 0.000 0.572 211 D N 1.748 122.196 120.400 0.080 0.000 2.182 211 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 211 D C 1.184 177.541 176.300 0.096 0.000 0.986 211 D CA 1.299 55.375 54.000 0.126 0.000 0.847 211 D CB 0.323 41.222 40.800 0.165 0.000 0.942 211 D HN 0.213 nan 8.370 nan 0.000 0.467 212 E N 0.222 120.464 120.200 0.070 0.000 2.474 212 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 212 E C 0.127 176.759 176.600 0.054 0.000 1.039 212 E CA -0.025 56.410 56.400 0.058 0.000 0.881 212 E CB 0.458 30.186 29.700 0.047 0.000 0.970 212 E HN 0.288 nan 8.360 nan 0.000 0.486 213 D N 1.089 121.523 120.400 0.056 0.000 2.177 213 D HA 0.107 4.747 4.640 -0.000 0.000 0.247 213 D C 0.265 176.609 176.300 0.074 0.000 1.063 213 D CA -0.028 54.008 54.000 0.059 0.000 0.867 213 D CB 1.379 42.213 40.800 0.056 0.000 1.168 213 D HN -0.061 nan 8.370 nan 0.000 0.445 214 T N -0.810 113.790 114.554 0.077 0.000 3.337 214 T HA 0.050 4.400 4.350 -0.000 0.000 0.299 214 T C 1.209 175.962 174.700 0.090 0.000 0.998 214 T CA -0.021 62.132 62.100 0.088 0.000 0.948 214 T CB -0.264 68.643 68.868 0.064 0.000 1.170 214 T HN 0.352 nan 8.240 nan 0.000 0.508 215 T N -0.977 113.639 114.554 0.102 0.000 3.088 215 T HA 0.228 4.578 4.350 -0.000 0.000 0.259 215 T C 0.309 175.080 174.700 0.119 0.000 1.122 215 T CA -0.385 61.768 62.100 0.089 0.000 1.095 215 T CB -0.656 68.261 68.868 0.081 0.000 0.930 215 T HN 0.367 nan 8.240 nan 0.000 0.508 216 F N 3.337 123.296 119.950 0.014 0.000 2.471 216 F HA 0.566 5.093 4.527 -0.000 0.000 0.365 216 F C 0.438 176.245 175.800 0.011 0.000 1.095 216 F CA -2.060 55.948 58.000 0.014 0.000 1.174 216 F CB 0.024 39.032 39.000 0.013 0.000 1.105 216 F HN 0.221 nan 8.300 nan 0.000 0.535 217 A N 5.774 128.218 122.820 -0.628 0.000 2.376 217 A HA 0.477 4.797 4.320 -0.000 0.000 0.298 217 A C -0.021 177.077 177.584 -0.811 0.000 1.271 217 A CA 0.027 51.754 52.037 -0.516 0.000 0.926 217 A CB -0.694 18.113 19.000 -0.322 0.000 1.141 217 A HN 0.838 nan 8.150 nan 0.000 0.539 218 S N 2.079 117.500 115.700 -0.464 0.000 2.651 218 S HA 0.823 5.293 4.470 -0.000 0.000 0.291 218 S C 0.188 174.699 174.600 -0.147 0.000 1.141 218 S CA 0.094 58.131 58.200 -0.271 0.000 1.027 218 S CB 1.482 64.692 63.200 0.017 0.000 1.043 218 S HN 1.311 nan 8.310 nan 0.000 0.530 219 T N -2.632 111.873 114.554 -0.082 0.000 2.907 219 T HA 0.619 4.969 4.350 -0.000 0.000 0.290 219 T C -2.610 172.006 174.700 -0.141 0.000 1.066 219 T CA -2.017 60.014 62.100 -0.115 0.000 1.012 219 T CB 1.110 69.924 68.868 -0.090 0.000 1.184 219 T HN 0.297 nan 8.240 nan 0.000 0.522 220 P HA 0.069 nan 4.420 nan 0.000 0.226 220 P C -0.091 177.080 177.300 -0.215 0.000 1.153 220 P CA 0.704 63.581 63.100 -0.372 0.000 0.777 220 P CB -0.185 31.122 31.700 -0.655 0.000 0.794 221 Y N -1.285 119.074 120.300 0.098 0.000 2.658 221 Y HA 0.243 4.793 4.550 -0.000 0.000 0.276 221 Y C 0.194 176.094 175.900 0.001 0.000 1.167 221 Y CA -1.486 56.596 58.100 -0.031 0.000 1.230 221 Y CB -0.946 37.384 38.460 -0.217 0.000 1.144 221 Y HN -0.150 nan 8.280 nan 0.000 0.529 222 D N 1.680 122.193 120.400 0.189 0.000 2.343 222 D HA 0.305 4.945 4.640 -0.000 0.000 0.255 222 D C 0.273 176.688 176.300 0.192 0.000 1.187 222 D CA 0.331 54.437 54.000 0.176 0.000 0.875 222 D CB 1.621 42.535 40.800 0.191 0.000 1.136 222 D HN 0.158 nan 8.370 nan 0.000 0.469 223 V N -0.947 119.052 119.914 0.142 0.000 3.158 223 V HA 0.965 5.085 4.120 -0.000 0.000 0.311 223 V C -0.948 175.190 176.094 0.073 0.000 1.181 223 V CA -1.157 61.216 62.300 0.123 0.000 1.054 223 V CB 1.915 33.803 31.823 0.109 0.000 1.085 223 V HN 0.517 nan 8.190 nan 0.000 0.446 224 A N 1.957 124.798 122.820 0.035 0.000 2.374 224 A HA 0.861 5.181 4.320 -0.000 0.000 0.305 224 A C -0.817 176.752 177.584 -0.026 0.000 1.053 224 A CA -0.652 51.392 52.037 0.012 0.000 0.726 224 A CB 1.186 20.166 19.000 -0.033 0.000 1.229 224 A HN 0.929 nan 8.150 nan 0.000 0.431 225 I N 4.032 124.606 120.570 0.006 0.000 2.291 225 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 225 I C -0.055 176.056 176.117 -0.010 0.000 1.050 225 I CA -0.129 61.174 61.300 0.005 0.000 1.245 225 I CB 0.558 38.569 38.000 0.018 0.000 1.405 225 I HN 0.671 nan 8.210 nan 0.000 0.478 226 I N 3.297 123.819 120.570 -0.082 0.000 2.530 226 I HA 0.833 5.003 4.170 -0.000 0.000 0.297 226 I C 0.755 176.793 176.117 -0.131 0.000 1.011 226 I CA -0.290 60.906 61.300 -0.174 0.000 1.107 226 I CB 2.001 39.681 38.000 -0.532 0.000 1.285 226 I HN 0.748 nan 8.210 nan 0.000 0.436 227 G N 3.415 112.092 108.800 -0.205 0.000 2.131 227 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.223 227 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.223 227 G C -0.480 174.228 174.900 -0.319 0.000 0.990 227 G CA 0.208 45.172 45.100 -0.226 0.000 0.671 227 G HN 0.918 nan 8.290 nan 0.000 0.521 228 D N -0.574 119.527 120.400 -0.499 0.000 2.481 228 D HA 0.517 5.157 4.640 -0.000 0.000 0.246 228 D C 0.435 176.373 176.300 -0.602 0.000 1.109 228 D CA -0.755 53.034 54.000 -0.351 0.000 0.845 228 D CB 0.733 41.429 40.800 -0.172 0.000 1.160 228 D HN 0.118 nan 8.370 nan 0.000 0.534 229 Y N 2.441 122.712 120.300 -0.048 0.000 2.470 229 Y HA 0.109 4.659 4.550 -0.000 0.000 0.284 229 Y C 1.196 177.003 175.900 -0.156 0.000 1.188 229 Y CA -0.410 57.636 58.100 -0.090 0.000 1.269 229 Y CB -0.301 38.107 38.460 -0.086 0.000 1.094 229 Y HN 0.418 nan 8.280 nan 0.000 0.518 230 N N 0.683 119.280 118.700 -0.172 0.000 2.740 230 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 230 N C -1.057 174.247 175.510 -0.343 0.000 1.062 230 N CA 0.163 53.020 53.050 -0.322 0.000 0.704 230 N CB -1.060 37.150 38.487 -0.462 0.000 0.968 230 N HN 0.097 nan 8.380 nan 0.000 0.547 231 I N 0.574 120.972 120.570 -0.287 0.000 2.578 231 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 231 I C 1.937 177.811 176.117 -0.405 0.000 1.126 231 I CA 1.402 62.474 61.300 -0.380 0.000 1.380 231 I CB -0.540 37.175 38.000 -0.474 0.000 1.408 231 I HN 0.528 nan 8.210 nan 0.000 0.532 232 G N 5.184 113.514 108.800 -0.784 0.000 2.155 232 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.257 232 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.257 232 G C 0.970 175.632 174.900 -0.397 0.000 0.983 232 G CA 0.386 45.053 45.100 -0.721 0.000 0.676 232 G HN 1.621 nan 8.290 nan 0.000 0.528 233 G N -1.031 107.506 108.800 -0.438 0.000 2.144 233 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 233 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 233 G C 0.745 175.564 174.900 -0.134 0.000 0.988 233 G CA 0.902 45.879 45.100 -0.205 0.000 0.659 233 G HN 0.565 nan 8.290 nan 0.000 0.522 234 D N 0.638 120.899 120.400 -0.231 0.000 2.133 234 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 234 D C 2.634 178.869 176.300 -0.109 0.000 0.997 234 D CA 1.854 55.689 54.000 -0.274 0.000 0.840 234 D CB -0.424 39.929 40.800 -0.745 0.000 0.947 234 D HN 0.755 nan 8.370 nan 0.000 0.452 235 A N 0.570 123.285 122.820 -0.175 0.000 1.930 235 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 235 A C 2.051 179.690 177.584 0.092 0.000 1.175 235 A CA 0.836 52.829 52.037 -0.073 0.000 0.627 235 A CB -0.866 18.028 19.000 -0.177 0.000 0.815 235 A HN 0.230 nan 8.150 nan 0.000 0.443 236 W N 0.952 122.290 121.300 0.064 0.000 2.358 236 W HA -0.118 4.542 4.660 -0.000 0.000 0.303 236 W C 2.752 179.316 176.519 0.075 0.000 1.208 236 W CA 1.460 58.849 57.345 0.074 0.000 1.274 236 W CB -1.381 28.130 29.460 0.085 0.000 1.138 236 W HN 0.547 nan 8.180 nan 0.000 0.515 237 S N -1.197 114.682 115.700 0.299 0.000 2.561 237 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 237 S C 1.643 176.333 174.600 0.151 0.000 0.977 237 S CA 1.143 59.459 58.200 0.194 0.000 0.926 237 S CB -0.248 63.044 63.200 0.152 0.000 0.769 237 S HN 0.009 nan 8.310 nan 0.000 0.533 238 S N 1.499 117.322 115.700 0.205 0.000 2.460 238 S HA 0.205 4.675 4.470 -0.000 0.000 0.226 238 S C 1.810 176.555 174.600 0.241 0.000 1.057 238 S CA 0.101 58.480 58.200 0.297 0.000 0.948 238 S CB -0.283 63.081 63.200 0.273 0.000 0.822 238 S HN 0.571 nan 8.310 nan 0.000 0.512 239 R N 1.221 121.834 120.500 0.188 0.000 2.105 239 R HA -0.009 4.331 4.340 -0.000 0.000 0.239 239 R C 2.232 178.612 176.300 0.135 0.000 1.135 239 R CA 1.266 57.458 56.100 0.153 0.000 0.967 239 R CB -0.413 30.003 30.300 0.194 0.000 0.861 239 R HN 0.415 nan 8.270 nan 0.000 0.442 240 I N 0.774 121.431 120.570 0.145 0.000 2.286 240 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 240 I C 1.800 177.982 176.117 0.108 0.000 1.115 240 I CA 1.165 62.538 61.300 0.122 0.000 1.392 240 I CB 0.072 38.153 38.000 0.135 0.000 1.065 240 I HN 0.265 nan 8.210 nan 0.000 0.418 241 L N 0.010 121.283 121.223 0.083 0.000 2.005 241 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 241 L C 2.525 179.437 176.870 0.070 0.000 1.072 241 L CA 1.288 56.156 54.840 0.047 0.000 0.744 241 L CB -0.764 41.225 42.059 -0.117 0.000 0.895 241 L HN 0.270 nan 8.230 nan 0.000 0.433 242 L N -0.299 120.978 121.223 0.090 0.000 2.043 242 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 242 L C 2.618 179.487 176.870 -0.001 0.000 1.075 242 L CA 1.450 56.312 54.840 0.037 0.000 0.752 242 L CB -0.603 41.465 42.059 0.015 0.000 0.891 242 L HN 0.354 nan 8.230 nan 0.000 0.432 243 E N -0.133 120.082 120.200 0.026 0.000 2.208 243 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 243 E C 1.950 178.555 176.600 0.009 0.000 0.988 243 E CA 0.695 57.103 56.400 0.013 0.000 0.828 243 E CB -0.019 29.704 29.700 0.038 0.000 0.763 243 E HN 0.570 nan 8.360 nan 0.000 0.478 244 E N 0.830 121.055 120.200 0.041 0.000 2.204 244 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 244 E C 1.751 178.358 176.600 0.013 0.000 0.989 244 E CA 0.906 57.338 56.400 0.052 0.000 0.824 244 E CB -0.102 29.674 29.700 0.127 0.000 0.756 244 E HN 0.304 nan 8.360 nan 0.000 0.477 245 M N -2.192 117.400 119.600 -0.013 0.000 2.723 245 M HA 0.394 4.874 4.480 -0.000 0.000 0.270 245 M C 0.828 177.032 176.300 -0.160 0.000 1.282 245 M CA 0.503 55.767 55.300 -0.061 0.000 0.995 245 M CB 0.468 33.045 32.600 -0.039 0.000 1.430 245 M HN 0.050 nan 8.290 nan 0.000 0.477 246 G N 1.080 109.790 108.800 -0.151 0.000 2.184 246 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 246 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 246 G C -0.072 174.667 174.900 -0.268 0.000 0.975 246 G CA 0.239 45.200 45.100 -0.230 0.000 0.642 246 G HN 0.554 nan 8.290 nan 0.000 0.536 247 L N -0.249 120.841 121.223 -0.222 0.000 2.439 247 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 247 L C 1.134 177.977 176.870 -0.046 0.000 1.153 247 L CA -0.792 53.936 54.840 -0.187 0.000 0.808 247 L CB 1.056 42.981 42.059 -0.224 0.000 1.126 247 L HN 0.142 nan 8.230 nan 0.000 0.460 248 R N 1.320 121.830 120.500 0.017 0.000 2.310 248 R HA 0.316 4.656 4.340 -0.000 0.000 0.316 248 R C -1.366 174.980 176.300 0.078 0.000 1.004 248 R CA -0.590 55.547 56.100 0.063 0.000 0.900 248 R CB 0.802 31.160 30.300 0.097 0.000 1.152 248 R HN 0.669 nan 8.270 nan 0.000 0.513 249 C N 4.754 124.096 119.300 0.069 0.000 2.595 249 C HA 0.079 4.539 4.460 -0.000 0.000 0.374 249 C C 2.004 177.059 174.990 0.108 0.000 1.250 249 C CA -0.650 58.415 59.018 0.079 0.000 1.595 249 C CB -0.371 27.413 27.740 0.073 0.000 2.257 249 C HN 0.662 nan 8.230 nan 0.000 0.568 250 V N 2.644 122.632 119.914 0.122 0.000 2.719 250 V HA 0.097 4.217 4.120 -0.000 0.000 0.252 250 V C 1.225 177.376 176.094 0.095 0.000 1.065 250 V CA 1.656 64.036 62.300 0.133 0.000 1.086 250 V CB -0.563 31.347 31.823 0.145 0.000 0.700 250 V HN 0.992 nan 8.190 nan 0.000 0.467 251 A N -0.671 122.215 122.820 0.111 0.000 2.604 251 A HA 0.723 5.043 4.320 -0.000 0.000 0.295 251 A C -1.185 176.507 177.584 0.181 0.000 1.067 251 A CA -0.590 51.535 52.037 0.147 0.000 0.683 251 A CB 1.454 20.580 19.000 0.209 0.000 1.281 251 A HN 0.212 nan 8.150 nan 0.000 0.407 252 Q N 0.696 120.602 119.800 0.177 0.000 2.309 252 Q HA 0.317 4.657 4.340 -0.000 0.000 0.270 252 Q C -1.813 174.284 176.000 0.162 0.000 1.023 252 Q CA -0.205 55.685 55.803 0.146 0.000 0.758 252 Q CB 1.932 30.722 28.738 0.086 0.000 1.247 252 Q HN 0.664 nan 8.270 nan 0.000 0.455 253 W N 2.084 123.285 121.300 -0.166 0.000 2.507 253 W HA 0.149 4.809 4.660 -0.000 0.000 0.334 253 W C 0.634 176.954 176.519 -0.331 0.000 1.165 253 W CA 0.165 57.379 57.345 -0.218 0.000 1.460 253 W CB 0.351 29.686 29.460 -0.209 0.000 1.404 253 W HN 0.872 nan 8.180 nan 0.000 0.435 254 S N 0.825 116.433 115.700 -0.153 0.000 2.105 254 S HA -0.166 4.304 4.470 -0.000 0.000 0.242 254 S C 0.700 175.270 174.600 -0.049 0.000 1.128 254 S CA 1.211 59.345 58.200 -0.110 0.000 1.482 254 S CB -1.544 61.681 63.200 0.041 0.000 1.865 254 S HN 0.748 nan 8.310 nan 0.000 0.577 255 G N 0.935 109.660 108.800 -0.126 0.000 2.320 255 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 255 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 255 G C 0.043 174.918 174.900 -0.040 0.000 1.126 255 G CA 0.585 45.629 45.100 -0.094 0.000 0.896 255 G HN 0.361 nan 8.290 nan 0.000 0.436 256 D N 0.612 121.040 120.400 0.047 0.000 2.931 256 D HA -0.142 4.498 4.640 -0.000 0.000 0.228 256 D C 1.087 177.478 176.300 0.151 0.000 1.180 256 D CA 1.576 55.693 54.000 0.195 0.000 0.784 256 D CB -0.962 40.041 40.800 0.337 0.000 1.093 256 D HN 0.760 nan 8.370 nan 0.000 0.421 257 G N -0.593 108.241 108.800 0.056 0.000 2.420 257 G HA2 0.535 4.495 3.960 -0.000 0.000 0.284 257 G HA3 0.535 4.495 3.960 -0.000 0.000 0.284 257 G C -0.024 174.874 174.900 -0.002 0.000 1.177 257 G CA 0.158 45.257 45.100 -0.001 0.000 0.841 257 G HN 0.485 nan 8.290 nan 0.000 0.527 258 S N 1.149 116.839 115.700 -0.016 0.000 2.648 258 S HA 0.400 4.870 4.470 -0.000 0.000 0.305 258 S C 1.287 175.853 174.600 -0.057 0.000 1.094 258 S CA -0.815 57.383 58.200 -0.004 0.000 0.983 258 S CB 1.789 65.005 63.200 0.027 0.000 1.101 258 S HN 0.579 nan 8.310 nan 0.000 0.514 259 I N 1.462 122.017 120.570 -0.025 0.000 2.394 259 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 259 I C 2.370 178.454 176.117 -0.055 0.000 1.136 259 I CA 1.840 63.114 61.300 -0.043 0.000 1.425 259 I CB -0.323 37.684 38.000 0.013 0.000 1.079 259 I HN 0.911 nan 8.210 nan 0.000 0.425 260 S N 0.989 116.672 115.700 -0.028 0.000 2.382 260 S HA -0.235 4.235 4.470 -0.000 0.000 0.228 260 S C 1.745 176.310 174.600 -0.059 0.000 1.027 260 S CA 1.251 59.432 58.200 -0.031 0.000 0.991 260 S CB -0.696 62.501 63.200 -0.005 0.000 0.823 260 S HN 0.731 nan 8.310 nan 0.000 0.469 261 E N 1.266 121.433 120.200 -0.055 0.000 2.208 261 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 261 E C 2.022 178.592 176.600 -0.049 0.000 0.988 261 E CA 0.801 57.172 56.400 -0.047 0.000 0.828 261 E CB -0.564 29.137 29.700 0.001 0.000 0.763 261 E HN 0.566 nan 8.360 nan 0.000 0.478 262 I N 1.677 122.149 120.570 -0.163 0.000 2.252 262 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 262 I C 2.168 178.271 176.117 -0.024 0.000 1.102 262 I CA 1.364 62.506 61.300 -0.263 0.000 1.385 262 I CB -0.206 37.455 38.000 -0.564 0.000 1.064 262 I HN 0.085 nan 8.210 nan 0.000 0.414 263 E N 0.220 120.385 120.200 -0.057 0.000 2.338 263 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 263 E C 1.735 178.282 176.600 -0.090 0.000 1.007 263 E CA 0.698 57.077 56.400 -0.036 0.000 0.849 263 E CB 0.146 29.826 29.700 -0.033 0.000 0.774 263 E HN 0.256 nan 8.360 nan 0.000 0.506 264 L N 0.036 121.178 121.223 -0.135 0.000 2.477 264 L HA 0.007 4.347 4.340 -0.000 0.000 0.220 264 L C 1.963 178.699 176.870 -0.223 0.000 1.106 264 L CA 1.249 55.910 54.840 -0.298 0.000 0.851 264 L CB -0.299 41.496 42.059 -0.440 0.000 0.994 264 L HN 0.021 nan 8.230 nan 0.000 0.462 265 T N 0.531 115.066 114.554 -0.031 0.000 2.737 265 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 265 T C -0.685 173.951 174.700 -0.106 0.000 1.040 265 T CA 1.431 63.548 62.100 0.029 0.000 1.142 265 T CB -0.846 68.193 68.868 0.284 0.000 0.861 265 T HN 0.213 nan 8.240 nan 0.000 0.456 266 P HA 0.036 nan 4.420 nan 0.000 0.239 266 P C 1.051 178.167 177.300 -0.307 0.000 1.184 266 P CA 0.790 63.586 63.100 -0.506 0.000 0.760 266 P CB 0.043 31.123 31.700 -1.032 0.000 0.884 267 K N -0.883 119.415 120.400 -0.170 0.000 2.374 267 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 267 K C 0.951 177.595 176.600 0.073 0.000 1.023 267 K CA 0.140 56.413 56.287 -0.023 0.000 1.103 267 K CB -0.256 32.259 32.500 0.025 0.000 0.848 267 K HN 0.151 nan 8.250 nan 0.000 0.528 268 V N -0.781 119.155 119.914 0.036 0.000 3.214 268 V HA 0.257 4.377 4.120 -0.000 0.000 0.306 268 V C 1.022 177.167 176.094 0.086 0.000 1.078 268 V CA -0.533 61.821 62.300 0.091 0.000 1.077 268 V CB 1.044 32.911 31.823 0.074 0.000 1.121 268 V HN -0.121 nan 8.190 nan 0.000 0.468 269 K N 0.416 120.889 120.400 0.121 0.000 2.352 269 K HA 0.437 4.757 4.320 -0.000 0.000 0.194 269 K C -0.233 176.413 176.600 0.077 0.000 1.038 269 K CA 0.462 56.810 56.287 0.102 0.000 1.023 269 K CB 0.250 32.841 32.500 0.151 0.000 0.840 269 K HN 0.663 nan 8.250 nan 0.000 0.519 270 L N 0.146 121.438 121.223 0.115 0.000 2.545 270 L HA 0.320 4.660 4.340 -0.000 0.000 0.258 270 L C -1.909 175.012 176.870 0.085 0.000 0.942 270 L CA -0.391 54.503 54.840 0.090 0.000 0.855 270 L CB 2.051 44.175 42.059 0.109 0.000 1.374 270 L HN -0.056 nan 8.230 nan 0.000 0.411 271 N N 4.533 123.280 118.700 0.079 0.000 2.424 271 N HA 0.605 5.345 4.740 -0.000 0.000 0.271 271 N C -1.349 174.216 175.510 0.092 0.000 0.985 271 N CA -0.569 52.506 53.050 0.042 0.000 0.921 271 N CB 1.241 39.733 38.487 0.009 0.000 1.149 271 N HN 0.474 nan 8.380 nan 0.000 0.492 272 L N 3.255 124.504 121.223 0.042 0.000 2.262 272 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 272 L C -0.524 176.496 176.870 0.250 0.000 1.035 272 L CA -0.858 54.030 54.840 0.081 0.000 0.820 272 L CB 1.066 42.994 42.059 -0.218 0.000 1.204 272 L HN 0.200 nan 8.230 nan 0.000 0.424 273 V N 2.938 123.049 119.914 0.329 0.000 2.364 273 V HA 0.133 4.253 4.120 -0.000 0.000 0.272 273 V C 0.808 176.966 176.094 0.105 0.000 1.036 273 V CA -0.360 62.058 62.300 0.195 0.000 0.880 273 V CB 1.166 33.082 31.823 0.155 0.000 0.991 273 V HN 0.766 nan 8.190 nan 0.000 0.460 274 H N 2.940 121.892 119.070 -0.196 0.000 2.337 274 H HA 0.059 4.615 4.556 -0.000 0.000 0.311 274 H C 1.102 176.264 175.328 -0.275 0.000 1.054 274 H CA 1.037 56.778 56.048 -0.511 0.000 1.385 274 H CB 0.800 30.225 29.762 -0.562 0.000 1.437 274 H HN 0.628 nan 8.280 nan 0.000 0.553 275 C N 2.460 121.691 119.300 -0.115 0.000 2.227 275 C HA 0.071 4.531 4.460 -0.000 0.000 0.333 275 C C 1.617 176.529 174.990 -0.129 0.000 1.145 275 C CA -0.655 58.290 59.018 -0.123 0.000 1.643 275 C CB -2.052 25.715 27.740 0.045 0.000 2.185 275 C HN 0.606 nan 8.230 nan 0.000 0.497 276 Y N 4.578 124.731 120.300 -0.244 0.000 2.200 276 Y HA -0.071 4.479 4.550 -0.000 0.000 0.290 276 Y C 2.409 178.128 175.900 -0.301 0.000 1.137 276 Y CA 2.131 60.091 58.100 -0.234 0.000 1.163 276 Y CB -0.301 38.056 38.460 -0.171 0.000 0.988 276 Y HN 0.707 nan 8.280 nan 0.000 0.518 277 R N 0.868 121.231 120.500 -0.228 0.000 2.096 277 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 277 R C 2.455 178.577 176.300 -0.296 0.000 1.139 277 R CA 2.320 58.269 56.100 -0.253 0.000 0.952 277 R CB -0.975 29.343 30.300 0.031 0.000 0.854 277 R HN 0.500 nan 8.270 nan 0.000 0.436 278 S N -1.896 113.613 115.700 -0.317 0.000 2.486 278 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 278 S C 1.458 175.946 174.600 -0.186 0.000 1.011 278 S CA 0.421 58.389 58.200 -0.387 0.000 0.921 278 S CB 0.319 63.034 63.200 -0.807 0.000 0.785 278 S HN 0.215 nan 8.310 nan 0.000 0.517 279 M N 2.536 121.945 119.600 -0.319 0.000 2.306 279 M HA 0.254 4.734 4.480 -0.000 0.000 0.292 279 M C 1.368 177.320 176.300 -0.580 0.000 1.018 279 M CA 0.093 55.201 55.300 -0.319 0.000 1.007 279 M CB -0.378 32.074 32.600 -0.248 0.000 1.510 279 M HN 0.587 nan 8.290 nan 0.000 0.537 280 N N 0.870 119.014 118.700 -0.926 0.000 2.223 280 N HA -0.215 4.525 4.740 -0.000 0.000 0.185 280 N C 1.357 176.319 175.510 -0.914 0.000 1.016 280 N CA 1.480 53.840 53.050 -1.148 0.000 0.863 280 N CB -0.641 36.926 38.487 -1.533 0.000 0.983 280 N HN 0.295 nan 8.380 nan 0.000 0.429 281 Y N 1.203 121.183 120.300 -0.533 0.000 2.053 281 Y HA -0.137 4.413 4.550 -0.000 0.000 0.277 281 Y C 2.596 178.331 175.900 -0.274 0.000 1.159 281 Y CA 1.001 58.865 58.100 -0.394 0.000 1.125 281 Y CB -0.839 37.372 38.460 -0.414 0.000 0.969 281 Y HN 0.050 nan 8.280 nan 0.000 0.492 282 I N -0.479 120.041 120.570 -0.083 0.000 2.493 282 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 282 I C 2.188 178.166 176.117 -0.232 0.000 1.160 282 I CA 1.154 62.407 61.300 -0.078 0.000 1.445 282 I CB -0.571 37.384 38.000 -0.076 0.000 1.086 282 I HN 0.079 nan 8.210 nan 0.000 0.433 283 S N 0.370 115.767 115.700 -0.505 0.000 2.355 283 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 283 S C 2.081 176.304 174.600 -0.628 0.000 1.031 283 S CA 1.274 59.037 58.200 -0.729 0.000 0.993 283 S CB -0.281 62.129 63.200 -1.317 0.000 0.859 283 S HN 0.443 nan 8.310 nan 0.000 0.453 284 R N 0.325 120.484 120.500 -0.568 0.000 2.096 284 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 284 R C 2.423 178.700 176.300 -0.038 0.000 1.127 284 R CA 1.393 57.385 56.100 -0.180 0.000 0.968 284 R CB -0.475 29.765 30.300 -0.101 0.000 0.861 284 R HN 0.545 nan 8.270 nan 0.000 0.440 285 H N 0.703 119.718 119.070 -0.091 0.000 2.389 285 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 285 H C 1.832 177.163 175.328 0.006 0.000 1.081 285 H CA 1.567 57.601 56.048 -0.024 0.000 1.345 285 H CB 0.104 29.869 29.762 0.005 0.000 1.393 285 H HN 0.168 nan 8.280 nan 0.000 0.520 286 M N 0.351 119.895 119.600 -0.094 0.000 2.296 286 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 286 M C 2.361 178.673 176.300 0.020 0.000 1.064 286 M CA 1.409 56.725 55.300 0.027 0.000 1.109 286 M CB -0.067 32.589 32.600 0.094 0.000 1.396 286 M HN 0.362 nan 8.290 nan 0.000 0.430 287 E N 1.320 121.527 120.200 0.013 0.000 2.028 287 E HA -0.226 4.124 4.350 -0.000 0.000 0.190 287 E C 1.780 178.376 176.600 -0.008 0.000 0.984 287 E CA 1.587 58.036 56.400 0.081 0.000 0.800 287 E CB 0.018 29.850 29.700 0.220 0.000 0.758 287 E HN 0.637 nan 8.360 nan 0.000 0.448 288 E N 0.483 120.644 120.200 -0.065 0.000 2.150 288 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 288 E C 2.097 178.577 176.600 -0.199 0.000 0.985 288 E CA 0.991 57.333 56.400 -0.098 0.000 0.814 288 E CB -0.121 29.536 29.700 -0.071 0.000 0.752 288 E HN 0.119 nan 8.360 nan 0.000 0.466 289 K N -0.191 119.979 120.400 -0.382 0.000 2.141 289 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 289 K C 1.039 177.296 176.600 -0.572 0.000 1.045 289 K CA 0.658 56.601 56.287 -0.573 0.000 0.971 289 K CB 0.167 32.081 32.500 -0.976 0.000 0.795 289 K HN 0.129 nan 8.250 nan 0.000 0.459 290 Y N -0.550 119.685 120.300 -0.108 0.000 2.449 290 Y HA 0.284 4.834 4.550 -0.000 0.000 0.254 290 Y C 1.107 176.991 175.900 -0.028 0.000 1.140 290 Y CA 0.218 58.289 58.100 -0.048 0.000 1.272 290 Y CB 1.045 39.486 38.460 -0.032 0.000 1.114 290 Y HN 0.319 nan 8.280 nan 0.000 0.525 291 G N 1.244 110.082 108.800 0.063 0.000 2.153 291 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.252 291 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.252 291 G C 0.048 174.991 174.900 0.072 0.000 0.994 291 G CA 0.129 45.259 45.100 0.050 0.000 0.698 291 G HN 0.344 nan 8.290 nan 0.000 0.521 292 I N 2.744 123.379 120.570 0.107 0.000 2.396 292 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 292 I C -1.203 174.986 176.117 0.120 0.000 1.056 292 I CA -2.015 59.342 61.300 0.096 0.000 1.365 292 I CB 0.981 39.036 38.000 0.093 0.000 1.407 292 I HN -0.013 nan 8.210 nan 0.000 0.509 293 P HA 0.153 nan 4.420 nan 0.000 0.276 293 P C -1.369 176.016 177.300 0.142 0.000 1.244 293 P CA -0.246 62.888 63.100 0.057 0.000 0.801 293 P CB 0.964 32.632 31.700 -0.054 0.000 1.006 294 W N 2.232 123.505 121.300 -0.045 0.000 3.033 294 W HA 0.679 5.339 4.660 -0.000 0.000 0.336 294 W C -1.422 175.084 176.519 -0.021 0.000 1.173 294 W CA -1.398 55.923 57.345 -0.041 0.000 1.185 294 W CB 0.979 30.404 29.460 -0.058 0.000 1.425 294 W HN 0.352 nan 8.180 nan 0.000 0.536 295 M N 0.513 120.193 119.600 0.132 0.000 2.484 295 M HA 0.562 5.041 4.480 -0.000 0.000 0.289 295 M C -1.364 175.066 176.300 0.216 0.000 1.206 295 M CA -0.667 54.638 55.300 0.009 0.000 0.892 295 M CB 3.238 35.817 32.600 -0.036 0.000 1.712 295 M HN 0.433 nan 8.290 nan 0.000 0.462 296 E N 2.068 122.369 120.200 0.167 0.000 2.301 296 E HA 0.523 4.873 4.350 -0.000 0.000 0.275 296 E C -1.635 175.097 176.600 0.220 0.000 1.030 296 E CA -0.303 56.224 56.400 0.212 0.000 0.852 296 E CB 1.147 30.925 29.700 0.130 0.000 1.060 296 E HN 0.611 nan 8.360 nan 0.000 0.401 297 Y N 0.110 120.431 120.300 0.035 0.000 2.644 297 Y HA 0.614 5.164 4.550 -0.000 0.000 0.338 297 Y C -1.291 174.622 175.900 0.021 0.000 1.119 297 Y CA -1.490 56.605 58.100 -0.008 0.000 1.060 297 Y CB 1.461 39.862 38.460 -0.099 0.000 1.294 297 Y HN 0.316 nan 8.280 nan 0.000 0.472 298 N N 1.500 120.192 118.700 -0.013 0.000 2.480 298 N HA 0.284 5.024 4.740 -0.000 0.000 0.289 298 N C -1.912 173.716 175.510 0.197 0.000 1.073 298 N CA -0.691 52.236 53.050 -0.204 0.000 0.885 298 N CB 0.806 38.964 38.487 -0.548 0.000 1.421 298 N HN 0.666 nan 8.380 nan 0.000 0.503 299 F N 2.444 122.289 119.950 -0.174 0.000 2.772 299 F HA 0.425 4.952 4.527 -0.000 0.000 0.302 299 F C -0.286 175.229 175.800 -0.476 0.000 1.136 299 F CA -0.836 56.953 58.000 -0.351 0.000 1.322 299 F CB -0.485 38.279 39.000 -0.393 0.000 0.967 299 F HN 0.328 nan 8.300 nan 0.000 0.513 300 F N 0.941 120.810 119.950 -0.136 0.000 2.350 300 F HA 0.555 5.082 4.527 -0.000 0.000 0.365 300 F C 0.895 176.497 175.800 -0.330 0.000 1.122 300 F CA -0.629 57.240 58.000 -0.218 0.000 1.139 300 F CB 0.513 39.391 39.000 -0.203 0.000 1.220 300 F HN 0.215 nan 8.300 nan 0.000 0.499 301 G N 5.294 113.971 108.800 -0.205 0.000 2.705 301 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 301 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 301 G C -2.122 172.383 174.900 -0.659 0.000 1.285 301 G CA -0.848 43.982 45.100 -0.451 0.000 0.800 301 G HN 0.398 nan 8.290 nan 0.000 0.611 302 P HA -0.204 nan 4.420 nan 0.000 0.214 302 P C 2.138 179.027 177.300 -0.684 0.000 1.163 302 P CA 3.236 65.746 63.100 -0.984 0.000 0.883 302 P CB -0.346 30.226 31.700 -1.880 0.000 0.788 303 T N -2.005 112.196 114.554 -0.589 0.000 2.720 303 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 303 T C 1.894 176.446 174.700 -0.247 0.000 1.037 303 T CA 1.161 63.057 62.100 -0.340 0.000 1.144 303 T CB -0.656 68.069 68.868 -0.239 0.000 0.864 303 T HN 0.010 nan 8.240 nan 0.000 0.444 304 K N 0.828 121.072 120.400 -0.261 0.000 2.062 304 K HA 0.038 4.358 4.320 -0.000 0.000 0.205 304 K C 2.657 179.158 176.600 -0.166 0.000 1.051 304 K CA 1.435 57.613 56.287 -0.182 0.000 0.941 304 K CB -1.063 31.332 32.500 -0.175 0.000 0.719 304 K HN 0.448 nan 8.250 nan 0.000 0.440 305 T N 2.333 116.686 114.554 -0.335 0.000 2.708 305 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 305 T C 2.081 176.566 174.700 -0.358 0.000 1.037 305 T CA 1.127 62.900 62.100 -0.544 0.000 1.146 305 T CB -0.191 67.999 68.868 -1.129 0.000 0.865 305 T HN 0.119 nan 8.240 nan 0.000 0.435 306 I N 0.862 121.293 120.570 -0.232 0.000 2.226 306 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 306 I C 2.771 178.872 176.117 -0.027 0.000 1.100 306 I CA 1.404 62.672 61.300 -0.053 0.000 1.374 306 I CB -0.395 37.600 38.000 -0.008 0.000 1.057 306 I HN 0.362 nan 8.210 nan 0.000 0.413 307 E N 0.889 121.061 120.200 -0.047 0.000 2.077 307 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 307 E C 2.232 178.852 176.600 0.034 0.000 0.989 307 E CA 1.617 58.009 56.400 -0.012 0.000 0.800 307 E CB 0.131 29.811 29.700 -0.034 0.000 0.746 307 E HN 0.373 nan 8.360 nan 0.000 0.452 308 S N 0.681 116.429 115.700 0.081 0.000 2.368 308 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 308 S C 1.979 176.686 174.600 0.180 0.000 1.029 308 S CA 0.696 59.010 58.200 0.190 0.000 0.988 308 S CB -0.166 63.294 63.200 0.433 0.000 0.838 308 S HN 0.255 nan 8.310 nan 0.000 0.462 309 L N 0.986 122.293 121.223 0.141 0.000 2.017 309 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 309 L C 2.747 179.664 176.870 0.078 0.000 1.073 309 L CA 1.339 56.239 54.840 0.100 0.000 0.745 309 L CB -0.414 41.662 42.059 0.027 0.000 0.894 309 L HN 0.221 nan 8.230 nan 0.000 0.432 310 R N -0.292 120.245 120.500 0.061 0.000 2.081 310 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 310 R C 2.436 178.769 176.300 0.056 0.000 1.131 310 R CA 1.327 57.459 56.100 0.053 0.000 0.960 310 R CB -0.490 29.834 30.300 0.039 0.000 0.856 310 R HN 0.358 nan 8.270 nan 0.000 0.436 311 A N 1.121 123.972 122.820 0.053 0.000 1.902 311 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 311 A C 2.136 179.755 177.584 0.059 0.000 1.181 311 A CA 1.209 53.270 52.037 0.041 0.000 0.623 311 A CB -0.452 18.568 19.000 0.033 0.000 0.818 311 A HN 0.178 nan 8.150 nan 0.000 0.443 312 I N -0.266 120.355 120.570 0.086 0.000 2.202 312 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 312 I C 2.978 179.241 176.117 0.244 0.000 1.091 312 I CA 1.047 62.427 61.300 0.133 0.000 1.368 312 I CB -0.415 37.639 38.000 0.090 0.000 1.058 312 I HN 0.339 nan 8.210 nan 0.000 0.410 313 A N 0.864 123.792 122.820 0.180 0.000 1.978 313 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 313 A C 2.474 180.191 177.584 0.221 0.000 1.170 313 A CA 1.894 54.051 52.037 0.201 0.000 0.636 313 A CB -0.816 18.238 19.000 0.090 0.000 0.810 313 A HN 0.464 nan 8.150 nan 0.000 0.448 314 A N -0.714 122.181 122.820 0.124 0.000 2.125 314 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 314 A C 1.866 179.462 177.584 0.020 0.000 1.156 314 A CA 1.440 53.516 52.037 0.065 0.000 0.671 314 A CB -0.231 18.786 19.000 0.027 0.000 0.794 314 A HN 0.358 nan 8.150 nan 0.000 0.459 315 K N -1.097 119.293 120.400 -0.016 0.000 2.459 315 K HA 0.157 4.477 4.320 -0.000 0.000 0.193 315 K C -0.287 176.015 176.600 -0.496 0.000 1.030 315 K CA 0.341 56.455 56.287 -0.288 0.000 1.026 315 K CB -0.190 32.040 32.500 -0.451 0.000 0.809 315 K HN 0.533 nan 8.250 nan 0.000 0.504 316 F N 0.689 120.670 119.950 0.051 0.000 2.780 316 F HA 0.145 4.672 4.527 -0.000 0.000 0.394 316 F C 0.946 176.796 175.800 0.083 0.000 1.244 316 F CA -1.359 56.701 58.000 0.101 0.000 1.133 316 F CB 0.029 39.119 39.000 0.150 0.000 1.528 316 F HN -0.116 nan 8.300 nan 0.000 0.496 317 D N -0.725 119.886 120.400 0.351 0.000 2.478 317 D HA 0.176 4.816 4.640 -0.000 0.000 0.274 317 D C 0.418 176.794 176.300 0.127 0.000 1.234 317 D CA -0.330 53.789 54.000 0.197 0.000 1.069 317 D CB 0.138 41.062 40.800 0.207 0.000 1.113 317 D HN 0.571 nan 8.370 nan 0.000 0.571 318 E N -0.833 119.417 120.200 0.084 0.000 2.150 318 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 318 E C 1.957 178.571 176.600 0.023 0.000 0.985 318 E CA 1.287 57.716 56.400 0.048 0.000 0.814 318 E CB -0.138 29.585 29.700 0.039 0.000 0.752 318 E HN 0.529 nan 8.360 nan 0.000 0.466 319 S N 0.941 116.653 115.700 0.020 0.000 2.382 319 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 319 S C 1.986 176.527 174.600 -0.098 0.000 1.027 319 S CA 0.728 58.910 58.200 -0.030 0.000 0.991 319 S CB -0.170 63.016 63.200 -0.023 0.000 0.823 319 S HN 0.100 nan 8.310 nan 0.000 0.469 320 I N 2.033 122.524 120.570 -0.132 0.000 2.406 320 I HA -0.053 4.117 4.170 -0.000 0.000 0.249 320 I C 2.764 178.839 176.117 -0.070 0.000 1.122 320 I CA 1.063 62.250 61.300 -0.188 0.000 1.431 320 I CB -1.639 36.207 38.000 -0.256 0.000 1.087 320 I HN 0.440 nan 8.210 nan 0.000 0.424 321 Q N 0.642 120.439 119.800 -0.006 0.000 2.124 321 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 321 Q C 2.240 178.242 176.000 0.004 0.000 0.977 321 Q CA 1.502 57.315 55.803 0.017 0.000 0.850 321 Q CB -0.089 28.671 28.738 0.036 0.000 0.901 321 Q HN 0.427 nan 8.270 nan 0.000 0.429 322 K N 1.265 121.660 120.400 -0.008 0.000 2.025 322 K HA -0.153 4.166 4.320 -0.000 0.000 0.207 322 K C 1.769 178.361 176.600 -0.014 0.000 1.049 322 K CA 1.220 57.502 56.287 -0.008 0.000 0.933 322 K CB 0.135 32.628 32.500 -0.012 0.000 0.714 322 K HN -0.006 nan 8.250 nan 0.000 0.438 323 K N 0.355 120.735 120.400 -0.034 0.000 2.147 323 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 323 K C 2.393 178.989 176.600 -0.007 0.000 1.049 323 K CA 1.211 57.478 56.287 -0.033 0.000 0.936 323 K CB -0.374 32.083 32.500 -0.070 0.000 0.722 323 K HN 0.326 nan 8.250 nan 0.000 0.446 324 C N 2.040 121.337 119.300 -0.006 0.000 2.413 324 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 324 C C 2.402 177.421 174.990 0.048 0.000 1.236 324 C CA 1.107 60.140 59.018 0.025 0.000 1.735 324 C CB -0.542 27.213 27.740 0.025 0.000 2.031 324 C HN 0.381 nan 8.230 nan 0.000 0.474 325 E N 0.651 120.871 120.200 0.033 0.000 2.150 325 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 325 E C 2.066 178.685 176.600 0.032 0.000 0.985 325 E CA 1.219 57.641 56.400 0.036 0.000 0.814 325 E CB -0.529 29.185 29.700 0.023 0.000 0.752 325 E HN 0.758 nan 8.360 nan 0.000 0.466 326 E N 0.217 120.429 120.200 0.020 0.000 2.072 326 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 326 E C 2.180 178.796 176.600 0.027 0.000 0.985 326 E CA 0.923 57.328 56.400 0.008 0.000 0.801 326 E CB 0.098 29.795 29.700 -0.004 0.000 0.750 326 E HN 0.002 nan 8.360 nan 0.000 0.452 327 V N 1.420 121.378 119.914 0.073 0.000 2.343 327 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 327 V C 2.202 178.423 176.094 0.212 0.000 1.051 327 V CA 1.539 63.940 62.300 0.169 0.000 1.036 327 V CB -0.355 31.594 31.823 0.209 0.000 0.654 327 V HN 0.292 nan 8.190 nan 0.000 0.451 328 I N 0.269 120.933 120.570 0.158 0.000 2.286 328 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 328 I C 2.590 178.742 176.117 0.058 0.000 1.115 328 I CA 1.444 62.832 61.300 0.146 0.000 1.392 328 I CB -0.521 37.566 38.000 0.145 0.000 1.065 328 I HN 0.302 nan 8.210 nan 0.000 0.418 329 A N 0.662 123.493 122.820 0.018 0.000 1.897 329 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 329 A C 2.409 179.930 177.584 -0.105 0.000 1.181 329 A CA 1.521 53.533 52.037 -0.041 0.000 0.620 329 A CB -0.461 18.516 19.000 -0.038 0.000 0.821 329 A HN 0.323 nan 8.150 nan 0.000 0.443 330 K N -1.448 118.880 120.400 -0.121 0.000 2.032 330 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 330 K C 1.581 177.956 176.600 -0.375 0.000 1.048 330 K CA 1.969 58.102 56.287 -0.256 0.000 0.927 330 K CB -0.322 31.984 32.500 -0.323 0.000 0.712 330 K HN 0.544 nan 8.250 nan 0.000 0.441 331 Y N 0.753 120.910 120.300 -0.239 0.000 2.517 331 Y HA 0.041 4.591 4.550 -0.000 0.000 0.281 331 Y C 2.207 177.883 175.900 -0.372 0.000 1.125 331 Y CA 0.636 58.517 58.100 -0.365 0.000 1.283 331 Y CB 0.052 38.005 38.460 -0.844 0.000 1.042 331 Y HN 0.083 nan 8.280 nan 0.000 0.547 332 K N 0.832 121.085 120.400 -0.245 0.000 2.034 332 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 332 K C -0.935 175.206 176.600 -0.764 0.000 1.051 332 K CA 2.172 58.112 56.287 -0.577 0.000 0.931 332 K CB -1.013 31.289 32.500 -0.330 0.000 0.715 332 K HN 0.146 nan 8.250 nan 0.000 0.446 333 P HA -0.156 nan 4.420 nan 0.000 0.215 333 P C 0.481 177.641 177.300 -0.234 0.000 1.153 333 P CA 1.438 64.350 63.100 -0.312 0.000 0.853 333 P CB 0.032 31.610 31.700 -0.202 0.000 0.788 334 E N -0.739 119.375 120.200 -0.142 0.000 2.038 334 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 334 E C 2.021 178.715 176.600 0.157 0.000 1.000 334 E CA 1.267 57.689 56.400 0.036 0.000 0.803 334 E CB -0.634 29.155 29.700 0.148 0.000 0.750 334 E HN 0.504 nan 8.360 nan 0.000 0.448 335 W N 1.042 122.394 121.300 0.087 0.000 2.584 335 W HA 0.024 4.684 4.660 -0.000 0.000 0.264 335 W C 1.013 177.638 176.519 0.176 0.000 1.264 335 W CA 0.405 57.867 57.345 0.195 0.000 1.306 335 W CB -0.322 29.213 29.460 0.125 0.000 1.110 335 W HN 0.014 nan 8.180 nan 0.000 0.606 336 E N 1.203 121.229 120.200 -0.291 0.000 2.152 336 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 336 E C 2.589 179.176 176.600 -0.020 0.000 0.983 336 E CA 1.128 57.364 56.400 -0.274 0.000 0.818 336 E CB -0.146 29.217 29.700 -0.563 0.000 0.758 336 E HN 0.277 nan 8.360 nan 0.000 0.467 337 A N 0.920 123.736 122.820 -0.007 0.000 1.969 337 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 337 A C 2.411 180.060 177.584 0.108 0.000 1.169 337 A CA 0.794 52.847 52.037 0.027 0.000 0.635 337 A CB -0.309 18.700 19.000 0.015 0.000 0.810 337 A HN 0.083 nan 8.150 nan 0.000 0.445 338 V N 0.188 120.246 119.914 0.241 0.000 2.323 338 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 338 V C 2.747 179.056 176.094 0.358 0.000 1.041 338 V CA 1.908 64.411 62.300 0.338 0.000 1.025 338 V CB -0.659 31.424 31.823 0.432 0.000 0.656 338 V HN 0.583 nan 8.190 nan 0.000 0.451 339 V N -0.653 119.510 119.914 0.416 0.000 2.515 339 V HA -0.089 4.031 4.120 -0.000 0.000 0.250 339 V C 2.446 178.655 176.094 0.192 0.000 1.058 339 V CA 1.822 64.336 62.300 0.357 0.000 1.064 339 V CB -1.231 30.834 31.823 0.403 0.000 0.675 339 V HN 0.363 nan 8.190 nan 0.000 0.461 340 A N 0.647 123.538 122.820 0.120 0.000 1.933 340 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 340 A C 2.429 179.997 177.584 -0.027 0.000 1.175 340 A CA 2.255 54.314 52.037 0.036 0.000 0.628 340 A CB -0.571 18.430 19.000 0.002 0.000 0.814 340 A HN 0.660 nan 8.150 nan 0.000 0.444 341 K N -2.269 118.075 120.400 -0.092 0.000 2.116 341 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 341 K C 1.456 177.805 176.600 -0.419 0.000 1.052 341 K CA 1.312 57.408 56.287 -0.318 0.000 0.952 341 K CB -0.145 32.040 32.500 -0.524 0.000 0.729 341 K HN 0.534 nan 8.250 nan 0.000 0.446 342 Y N -0.282 120.023 120.300 0.009 0.000 2.522 342 Y HA 0.207 4.757 4.550 -0.000 0.000 0.277 342 Y C 2.216 178.118 175.900 0.004 0.000 1.104 342 Y CA 0.113 58.203 58.100 -0.016 0.000 1.260 342 Y CB -0.053 38.363 38.460 -0.074 0.000 1.151 342 Y HN -0.044 nan 8.280 nan 0.000 0.539 343 R N 0.979 121.588 120.500 0.182 0.000 2.103 343 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 343 R C -0.970 175.385 176.300 0.092 0.000 1.142 343 R CA 2.042 58.226 56.100 0.140 0.000 0.960 343 R CB -1.250 29.139 30.300 0.147 0.000 0.858 343 R HN 0.168 nan 8.270 nan 0.000 0.439 344 P HA -0.155 nan 4.420 nan 0.000 0.217 344 P C 0.410 177.735 177.300 0.042 0.000 1.148 344 P CA 1.601 64.724 63.100 0.039 0.000 0.828 344 P CB -0.017 31.691 31.700 0.013 0.000 0.783 345 R N -1.407 119.128 120.500 0.058 0.000 2.210 345 R HA 0.170 4.510 4.340 -0.000 0.000 0.203 345 R C 1.667 178.001 176.300 0.057 0.000 1.010 345 R CA 0.708 56.845 56.100 0.062 0.000 1.008 345 R CB -0.252 30.105 30.300 0.094 0.000 0.923 345 R HN 0.266 nan 8.270 nan 0.000 0.469 346 L N -0.020 121.240 121.223 0.062 0.000 2.731 346 L HA 0.176 4.516 4.340 -0.000 0.000 0.240 346 L C 0.310 177.206 176.870 0.043 0.000 1.120 346 L CA -0.320 54.545 54.840 0.042 0.000 0.913 346 L CB 0.259 42.338 42.059 0.033 0.000 1.213 346 L HN -0.034 nan 8.230 nan 0.000 0.515 347 E N 1.264 121.494 120.200 0.050 0.000 2.652 347 E HA 0.144 4.494 4.350 -0.000 0.000 0.255 347 E C 1.303 177.921 176.600 0.029 0.000 0.952 347 E CA 1.296 57.724 56.400 0.046 0.000 0.947 347 E CB 0.235 29.962 29.700 0.044 0.000 0.912 347 E HN 0.333 nan 8.360 nan 0.000 0.489 348 G N 4.035 112.850 108.800 0.026 0.000 2.267 348 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 348 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 348 G C -0.026 174.871 174.900 -0.006 0.000 0.998 348 G CA 0.353 45.458 45.100 0.009 0.000 0.620 348 G HN 0.505 nan 8.290 nan 0.000 0.529 349 K N 1.028 121.423 120.400 -0.008 0.000 2.414 349 K HA 0.355 4.675 4.320 -0.000 0.000 0.272 349 K C 0.764 177.332 176.600 -0.053 0.000 0.993 349 K CA 0.120 56.387 56.287 -0.034 0.000 0.964 349 K CB 0.502 32.980 32.500 -0.037 0.000 0.925 349 K HN 0.507 nan 8.250 nan 0.000 0.487 350 R N 0.853 121.305 120.500 -0.080 0.000 2.393 350 R HA 0.439 4.779 4.340 -0.000 0.000 0.310 350 R C -0.480 175.728 176.300 -0.155 0.000 0.968 350 R CA -0.791 55.248 56.100 -0.103 0.000 0.867 350 R CB 1.343 31.593 30.300 -0.084 0.000 1.124 350 R HN 0.210 nan 8.270 nan 0.000 0.450 351 V N 3.885 123.675 119.914 -0.207 0.000 2.715 351 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 351 V C -0.024 175.938 176.094 -0.219 0.000 1.054 351 V CA -0.818 61.311 62.300 -0.285 0.000 0.928 351 V CB 1.993 33.489 31.823 -0.545 0.000 1.007 351 V HN 0.690 nan 8.190 nan 0.000 0.437 352 M N 4.625 124.122 119.600 -0.172 0.000 2.383 352 M HA 0.636 5.116 4.480 -0.000 0.000 0.325 352 M C -1.410 174.896 176.300 0.010 0.000 1.092 352 M CA -0.382 54.906 55.300 -0.020 0.000 0.961 352 M CB 2.009 34.641 32.600 0.053 0.000 1.672 352 M HN 0.424 nan 8.290 nan 0.000 0.438 353 L N 2.797 124.066 121.223 0.077 0.000 2.381 353 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 353 L C -1.562 175.419 176.870 0.185 0.000 0.997 353 L CA -0.932 53.938 54.840 0.050 0.000 0.818 353 L CB 2.032 44.029 42.059 -0.104 0.000 1.310 353 L HN 0.567 nan 8.230 nan 0.000 0.416 354 Y N 4.123 124.411 120.300 -0.020 0.000 2.317 354 Y HA 0.660 5.210 4.550 -0.000 0.000 0.325 354 Y C -0.961 174.895 175.900 -0.073 0.000 1.066 354 Y CA -0.778 57.268 58.100 -0.090 0.000 1.203 354 Y CB 0.752 38.981 38.460 -0.384 0.000 1.127 354 Y HN 0.423 nan 8.280 nan 0.000 0.451 355 I N 1.795 121.978 120.570 -0.645 0.000 3.850 355 I HA 0.652 4.822 4.170 -0.000 0.000 0.272 355 I C 1.067 176.830 176.117 -0.591 0.000 1.109 355 I CA -0.965 59.995 61.300 -0.568 0.000 1.282 355 I CB 0.464 38.152 38.000 -0.519 0.000 1.337 355 I HN 0.543 nan 8.210 nan 0.000 0.438 356 G N -0.083 108.449 108.800 -0.448 0.000 2.629 356 G HA2 0.285 4.245 3.960 -0.000 0.000 0.213 356 G HA3 0.285 4.245 3.960 -0.000 0.000 0.213 356 G C 0.879 175.257 174.900 -0.869 0.000 1.425 356 G CA 0.856 45.638 45.100 -0.531 0.000 0.929 356 G HN 0.847 nan 8.290 nan 0.000 0.527 357 G N -1.452 107.123 108.800 -0.375 0.000 4.399 357 G HA2 0.404 4.364 3.960 -0.000 0.000 0.268 357 G HA3 0.404 4.364 3.960 -0.000 0.000 0.268 357 G C 0.396 175.315 174.900 0.031 0.000 1.038 357 G CA 0.688 45.681 45.100 -0.179 0.000 0.811 357 G HN 0.475 nan 8.290 nan 0.000 0.408 358 L N -1.041 120.209 121.223 0.045 0.000 2.511 358 L HA 0.479 4.819 4.340 -0.000 0.000 0.173 358 L C 2.268 179.084 176.870 -0.090 0.000 1.160 358 L CA 0.516 55.325 54.840 -0.052 0.000 0.964 358 L CB -0.504 41.451 42.059 -0.174 0.000 1.892 358 L HN -0.064 nan 8.230 nan 0.000 0.497 359 R N 0.778 121.208 120.500 -0.116 0.000 2.140 359 R HA -0.181 4.159 4.340 -0.000 0.000 0.250 359 R C -0.815 175.342 176.300 -0.239 0.000 1.150 359 R CA 2.215 58.221 56.100 -0.156 0.000 0.966 359 R CB -1.846 28.375 30.300 -0.131 0.000 0.869 359 R HN 0.386 nan 8.270 nan 0.000 0.445 360 P HA -0.227 nan 4.420 nan 0.000 0.218 360 P C 0.906 177.991 177.300 -0.358 0.000 1.146 360 P CA 1.535 64.324 63.100 -0.518 0.000 0.820 360 P CB -0.068 30.966 31.700 -1.109 0.000 0.778 361 R N -2.301 118.072 120.500 -0.212 0.000 2.221 361 R HA 0.084 4.424 4.340 -0.000 0.000 0.195 361 R C 2.037 178.332 176.300 -0.008 0.000 0.956 361 R CA 0.318 56.378 56.100 -0.067 0.000 1.064 361 R CB -0.985 29.344 30.300 0.047 0.000 1.049 361 R HN 0.187 nan 8.270 nan 0.000 0.534 362 H N 0.890 119.858 119.070 -0.170 0.000 2.423 362 H HA -0.044 4.512 4.556 -0.000 0.000 0.297 362 H C 1.907 177.048 175.328 -0.311 0.000 1.075 362 H CA 1.782 57.727 56.048 -0.172 0.000 1.342 362 H CB 0.639 30.346 29.762 -0.092 0.000 1.395 362 H HN 0.239 nan 8.280 nan 0.000 0.530 363 V N -1.786 117.894 119.914 -0.390 0.000 3.406 363 V HA -0.036 4.084 4.120 -0.000 0.000 0.263 363 V C 2.100 178.128 176.094 -0.110 0.000 1.172 363 V CA 0.459 62.453 62.300 -0.509 0.000 1.140 363 V CB -0.555 30.960 31.823 -0.513 0.000 0.784 363 V HN 0.251 nan 8.190 nan 0.000 0.467 364 I N 2.495 123.054 120.570 -0.018 0.000 2.145 364 I HA -0.204 3.966 4.170 -0.000 0.000 0.244 364 I C 2.794 178.948 176.117 0.063 0.000 1.075 364 I CA 2.169 63.513 61.300 0.073 0.000 1.332 364 I CB -1.026 36.967 38.000 -0.012 0.000 1.033 364 I HN 0.457 nan 8.210 nan 0.000 0.410 365 G N 0.244 109.022 108.800 -0.035 0.000 2.450 365 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 365 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 365 G C 1.820 176.688 174.900 -0.054 0.000 1.130 365 G CA 0.883 45.949 45.100 -0.056 0.000 0.760 365 G HN 0.530 nan 8.290 nan 0.000 0.557 366 A N -0.091 122.662 122.820 -0.113 0.000 1.930 366 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 366 A C 2.199 179.842 177.584 0.098 0.000 1.175 366 A CA 1.347 53.304 52.037 -0.134 0.000 0.627 366 A CB -0.541 18.093 19.000 -0.611 0.000 0.815 366 A HN 0.367 nan 8.150 nan 0.000 0.443 367 Y N 0.574 120.965 120.300 0.152 0.000 2.181 367 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 367 Y C 2.491 178.467 175.900 0.127 0.000 1.146 367 Y CA 1.754 59.974 58.100 0.200 0.000 1.164 367 Y CB -0.306 38.216 38.460 0.103 0.000 0.982 367 Y HN 0.454 nan 8.280 nan 0.000 0.515 368 E N -0.328 120.003 120.200 0.217 0.000 2.106 368 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 368 E C 1.398 178.072 176.600 0.124 0.000 0.984 368 E CA 1.200 57.678 56.400 0.129 0.000 0.806 368 E CB -0.199 29.540 29.700 0.065 0.000 0.750 368 E HN 0.466 nan 8.360 nan 0.000 0.458 369 D N 0.476 120.948 120.400 0.120 0.000 2.351 369 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 369 D C 1.400 177.862 176.300 0.269 0.000 0.968 369 D CA 0.841 54.919 54.000 0.130 0.000 0.899 369 D CB 0.138 40.937 40.800 -0.002 0.000 0.907 369 D HN 0.213 nan 8.370 nan 0.000 0.514 370 L N -1.153 120.231 121.223 0.267 0.000 2.728 370 L HA 0.246 4.586 4.340 -0.000 0.000 0.238 370 L C 1.343 178.309 176.870 0.160 0.000 1.143 370 L CA 0.088 55.066 54.840 0.230 0.000 0.937 370 L CB 0.504 42.670 42.059 0.178 0.000 1.225 370 L HN 0.032 nan 8.230 nan 0.000 0.507 371 G N 0.420 109.305 108.800 0.143 0.000 2.143 371 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.249 371 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.249 371 G C 0.197 175.149 174.900 0.086 0.000 0.981 371 G CA 0.048 45.209 45.100 0.101 0.000 0.665 371 G HN 0.256 nan 8.290 nan 0.000 0.528 372 M N 0.300 119.971 119.600 0.119 0.000 2.367 372 M HA 0.490 4.970 4.480 -0.000 0.000 0.339 372 M C 0.250 176.585 176.300 0.058 0.000 1.177 372 M CA -0.450 54.904 55.300 0.090 0.000 1.068 372 M CB 1.598 34.288 32.600 0.150 0.000 1.602 372 M HN 0.280 nan 8.290 nan 0.000 0.457 373 E N 2.080 122.276 120.200 -0.006 0.000 2.158 373 E HA 0.372 4.722 4.350 -0.000 0.000 0.271 373 E C -1.559 174.985 176.600 -0.093 0.000 0.911 373 E CA -0.675 55.706 56.400 -0.032 0.000 0.767 373 E CB 1.429 31.112 29.700 -0.028 0.000 1.120 373 E HN 0.480 nan 8.360 nan 0.000 0.405 374 V N 5.948 125.799 119.914 -0.105 0.000 2.370 374 V HA 0.016 4.136 4.120 -0.000 0.000 0.257 374 V C 0.969 176.999 176.094 -0.106 0.000 1.064 374 V CA -0.132 62.074 62.300 -0.157 0.000 0.975 374 V CB 0.898 32.627 31.823 -0.157 0.000 1.067 374 V HN 0.705 nan 8.190 nan 0.000 0.485 375 V N 4.104 123.960 119.914 -0.097 0.000 3.406 375 V HA 0.311 4.431 4.120 -0.000 0.000 0.263 375 V C 1.151 177.219 176.094 -0.043 0.000 1.172 375 V CA 1.296 63.557 62.300 -0.065 0.000 1.140 375 V CB -0.005 31.782 31.823 -0.060 0.000 0.784 375 V HN 0.908 nan 8.190 nan 0.000 0.467 376 G N -1.516 107.265 108.800 -0.031 0.000 2.755 376 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 376 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 376 G C -1.252 173.623 174.900 -0.041 0.000 1.441 376 G CA -0.069 45.045 45.100 0.022 0.000 0.964 376 G HN -0.088 nan 8.290 nan 0.000 0.540 377 T N -0.795 113.568 114.554 -0.320 0.000 2.889 377 T HA 0.847 5.197 4.350 -0.000 0.000 0.315 377 T C -0.247 173.974 174.700 -0.799 0.000 1.291 377 T CA 0.403 62.267 62.100 -0.393 0.000 1.028 377 T CB 1.727 70.420 68.868 -0.292 0.000 1.235 377 T HN 1.829 nan 8.240 nan 0.000 0.491 378 G N 1.423 109.935 108.800 -0.480 0.000 2.623 378 G HA2 0.638 4.598 3.960 -0.000 0.000 0.290 378 G HA3 0.638 4.598 3.960 -0.000 0.000 0.290 378 G C -2.429 172.364 174.900 -0.179 0.000 1.437 378 G CA -0.570 44.413 45.100 -0.196 0.000 0.798 378 G HN 0.588 nan 8.290 nan 0.000 0.488 379 Y N -0.577 119.767 120.300 0.073 0.000 2.549 379 Y HA 0.494 5.044 4.550 -0.000 0.000 0.339 379 Y C 1.402 177.211 175.900 -0.152 0.000 1.053 379 Y CA -0.806 57.146 58.100 -0.246 0.000 1.105 379 Y CB 2.428 40.697 38.460 -0.318 0.000 1.258 379 Y HN 0.629 nan 8.280 nan 0.000 0.478 380 E N 0.862 120.891 120.200 -0.285 0.000 2.140 380 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 380 E C -0.209 176.472 176.600 0.135 0.000 0.973 380 E CA 1.009 57.389 56.400 -0.033 0.000 0.829 380 E CB 0.154 29.843 29.700 -0.019 0.000 0.781 380 E HN 0.634 nan 8.360 nan 0.000 0.466 381 F N -2.033 118.015 119.950 0.163 0.000 2.790 381 F HA 0.566 5.093 4.527 -0.000 0.000 0.347 381 F C -0.150 175.745 175.800 0.158 0.000 1.252 381 F CA -1.135 56.953 58.000 0.146 0.000 1.109 381 F CB -0.380 38.679 39.000 0.099 0.000 1.205 381 F HN -0.222 nan 8.300 nan 0.000 0.510 382 A N 0.577 123.370 122.820 -0.045 0.000 2.366 382 A HA 0.584 4.904 4.320 -0.000 0.000 0.249 382 A C -0.345 177.350 177.584 0.184 0.000 1.084 382 A CA 0.010 51.962 52.037 -0.142 0.000 0.794 382 A CB 0.170 18.509 19.000 -1.101 0.000 1.034 382 A HN 0.543 nan 8.150 nan 0.000 0.491 383 H N -0.255 118.799 119.070 -0.027 0.000 2.530 383 H HA 0.301 4.857 4.556 -0.000 0.000 0.342 383 H C 0.969 176.353 175.328 0.094 0.000 1.312 383 H CA -0.547 55.553 56.048 0.087 0.000 1.376 383 H CB 0.467 30.293 29.762 0.107 0.000 1.692 383 H HN 0.760 nan 8.280 nan 0.000 0.622 384 N N 0.148 119.009 118.700 0.268 0.000 2.244 384 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 384 N C 0.868 176.464 175.510 0.144 0.000 1.016 384 N CA 1.179 54.368 53.050 0.231 0.000 0.866 384 N CB -0.007 38.567 38.487 0.145 0.000 0.980 384 N HN 0.639 nan 8.380 nan 0.000 0.430 385 D N 0.109 120.580 120.400 0.119 0.000 2.263 385 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 385 D C 0.832 177.085 176.300 -0.079 0.000 0.971 385 D CA 1.036 55.056 54.000 0.033 0.000 0.867 385 D CB -0.274 40.573 40.800 0.078 0.000 0.929 385 D HN 0.226 nan 8.370 nan 0.000 0.492 386 D N -0.466 119.871 120.400 -0.105 0.000 2.137 386 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 386 D C 1.695 177.781 176.300 -0.357 0.000 0.970 386 D CA 0.760 54.565 54.000 -0.325 0.000 0.837 386 D CB -0.307 40.138 40.800 -0.592 0.000 0.981 386 D HN 0.283 nan 8.370 nan 0.000 0.475 387 Y N 1.800 122.013 120.300 -0.144 0.000 2.293 387 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 387 Y C 2.066 177.945 175.900 -0.035 0.000 1.137 387 Y CA 0.751 58.819 58.100 -0.053 0.000 1.202 387 Y CB -0.149 38.294 38.460 -0.028 0.000 0.990 387 Y HN -0.101 nan 8.280 nan 0.000 0.537 388 D N -0.027 120.419 120.400 0.076 0.000 2.123 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 388 D C 1.923 178.214 176.300 -0.015 0.000 0.992 388 D CA 1.352 55.367 54.000 0.025 0.000 0.833 388 D CB -0.284 40.513 40.800 -0.006 0.000 0.954 388 D HN 0.343 nan 8.370 nan 0.000 0.455 389 R N -0.212 120.250 120.500 -0.063 0.000 2.276 389 R HA 0.062 4.402 4.340 -0.000 0.000 0.203 389 R C 1.850 178.133 176.300 -0.028 0.000 1.017 389 R CA 0.677 56.733 56.100 -0.074 0.000 1.010 389 R CB 0.093 30.311 30.300 -0.138 0.000 0.900 389 R HN 0.097 nan 8.270 nan 0.000 0.469 390 T N 0.745 115.304 114.554 0.009 0.000 2.976 390 T HA 0.058 4.408 4.350 -0.000 0.000 0.257 390 T C 1.794 176.518 174.700 0.040 0.000 1.051 390 T CA 0.568 62.696 62.100 0.046 0.000 1.141 390 T CB 0.085 69.027 68.868 0.124 0.000 0.881 390 T HN 0.114 nan 8.240 nan 0.000 0.461 391 M N 1.120 120.752 119.600 0.053 0.000 2.195 391 M HA -0.138 4.341 4.480 -0.000 0.000 0.260 391 M C 2.069 178.371 176.300 0.004 0.000 1.066 391 M CA 1.646 56.965 55.300 0.032 0.000 1.089 391 M CB -0.580 32.039 32.600 0.033 0.000 1.377 391 M HN 0.117 nan 8.290 nan 0.000 0.411 392 K N 0.199 120.597 120.400 -0.004 0.000 2.097 392 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 392 K C 1.877 178.465 176.600 -0.020 0.000 1.050 392 K CA 0.919 57.197 56.287 -0.016 0.000 0.938 392 K CB -0.105 32.381 32.500 -0.024 0.000 0.718 392 K HN 0.239 nan 8.250 nan 0.000 0.442 393 E N -0.070 120.117 120.200 -0.020 0.000 2.216 393 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 393 E C 0.477 177.060 176.600 -0.028 0.000 0.988 393 E CA 0.582 56.965 56.400 -0.028 0.000 0.834 393 E CB 0.048 29.730 29.700 -0.030 0.000 0.772 393 E HN 0.217 nan 8.360 nan 0.000 0.479 394 M N 0.549 120.134 119.600 -0.025 0.000 2.288 394 M HA 0.303 4.783 4.480 -0.000 0.000 0.334 394 M C 0.848 177.131 176.300 -0.028 0.000 1.150 394 M CA -0.393 54.887 55.300 -0.033 0.000 1.118 394 M CB 0.876 33.455 32.600 -0.035 0.000 1.501 394 M HN -0.128 nan 8.290 nan 0.000 0.462 395 G N 0.963 109.744 108.800 -0.032 0.000 2.539 395 G HA2 0.211 4.171 3.960 -0.000 0.000 0.258 395 G HA3 0.211 4.171 3.960 -0.000 0.000 0.258 395 G C -0.540 174.343 174.900 -0.028 0.000 1.202 395 G CA -0.384 44.699 45.100 -0.027 0.000 0.851 395 G HN 0.733 nan 8.290 nan 0.000 0.556 396 D N -0.807 119.578 120.400 -0.024 0.000 2.400 396 D HA 0.179 4.819 4.640 -0.000 0.000 0.238 396 D C 1.151 177.435 176.300 -0.028 0.000 1.157 396 D CA 1.079 55.065 54.000 -0.023 0.000 0.889 396 D CB 0.466 41.254 40.800 -0.019 0.000 1.199 396 D HN 0.344 nan 8.370 nan 0.000 0.436 397 S N -0.343 115.340 115.700 -0.029 0.000 3.257 397 S HA -0.211 4.259 4.470 -0.000 0.000 0.300 397 S C 0.434 175.007 174.600 -0.044 0.000 1.275 397 S CA 1.114 59.294 58.200 -0.034 0.000 1.023 397 S CB -2.380 60.802 63.200 -0.030 0.000 1.180 397 S HN 0.850 nan 8.310 nan 0.000 0.660 398 T N -0.088 114.438 114.554 -0.047 0.000 2.882 398 T HA 0.640 4.990 4.350 -0.000 0.000 0.287 398 T C 0.000 174.657 174.700 -0.071 0.000 1.014 398 T CA -0.877 61.189 62.100 -0.057 0.000 1.049 398 T CB 1.274 70.106 68.868 -0.059 0.000 1.001 398 T HN 0.219 nan 8.240 nan 0.000 0.525 399 L N 1.936 123.111 121.223 -0.079 0.000 2.326 399 L HA 0.572 4.912 4.340 -0.000 0.000 0.278 399 L C -0.965 175.807 176.870 -0.164 0.000 1.092 399 L CA -0.507 54.274 54.840 -0.098 0.000 0.810 399 L CB 0.202 42.201 42.059 -0.099 0.000 1.153 399 L HN 0.665 nan 8.230 nan 0.000 0.439 400 L N 6.500 127.630 121.223 -0.155 0.000 2.362 400 L HA 0.509 4.848 4.340 -0.000 0.000 0.275 400 L C -1.433 175.373 176.870 -0.106 0.000 0.998 400 L CA -0.863 53.837 54.840 -0.234 0.000 0.820 400 L CB 1.521 43.535 42.059 -0.075 0.000 1.270 400 L HN 0.630 nan 8.230 nan 0.000 0.415 401 Y N -0.372 120.033 120.300 0.175 0.000 2.386 401 Y HA 0.595 5.145 4.550 -0.000 0.000 0.334 401 Y C -1.025 175.065 175.900 0.317 0.000 1.002 401 Y CA -1.633 56.596 58.100 0.216 0.000 1.068 401 Y CB 1.186 39.792 38.460 0.244 0.000 1.203 401 Y HN 0.450 nan 8.280 nan 0.000 0.443 402 D N 2.362 123.028 120.400 0.443 0.000 2.193 402 D HA 0.265 4.905 4.640 -0.000 0.000 0.244 402 D C -0.335 176.204 176.300 0.398 0.000 1.064 402 D CA -0.056 54.241 54.000 0.495 0.000 0.845 402 D CB 1.062 42.106 40.800 0.408 0.000 1.148 402 D HN 0.737 nan 8.370 nan 0.000 0.464 403 D N 2.463 123.120 120.400 0.427 0.000 2.697 403 D HA -0.204 4.436 4.640 -0.000 0.000 0.235 403 D C -0.681 175.716 176.300 0.162 0.000 1.167 403 D CA 0.334 54.516 54.000 0.302 0.000 0.656 403 D CB -0.825 40.053 40.800 0.131 0.000 1.025 403 D HN 0.164 nan 8.370 nan 0.000 0.419 404 V N 0.966 120.919 119.914 0.065 0.000 2.872 404 V HA 0.294 4.414 4.120 -0.000 0.000 0.307 404 V C 1.310 177.331 176.094 -0.122 0.000 1.072 404 V CA 0.761 62.973 62.300 -0.147 0.000 1.148 404 V CB 1.039 32.527 31.823 -0.558 0.000 0.954 404 V HN 0.533 nan 8.190 nan 0.000 0.490 405 T N 3.322 117.856 114.554 -0.033 0.000 2.874 405 T HA 0.441 4.791 4.350 -0.000 0.000 0.281 405 T C 1.330 176.058 174.700 0.046 0.000 0.994 405 T CA -0.057 62.070 62.100 0.044 0.000 1.015 405 T CB 1.331 70.293 68.868 0.158 0.000 1.028 405 T HN 0.949 nan 8.240 nan 0.000 0.523 406 G N -0.257 108.597 108.800 0.090 0.000 2.440 406 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 406 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 406 G C 1.154 176.096 174.900 0.070 0.000 1.154 406 G CA 0.903 46.058 45.100 0.093 0.000 0.767 406 G HN 0.851 nan 8.290 nan 0.000 0.552 407 Y N 1.438 121.722 120.300 -0.027 0.000 2.145 407 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 407 Y C 2.780 178.572 175.900 -0.180 0.000 1.145 407 Y CA 2.180 60.229 58.100 -0.085 0.000 1.148 407 Y CB -0.238 38.182 38.460 -0.067 0.000 0.981 407 Y HN 0.371 nan 8.280 nan 0.000 0.507 408 E N -0.669 119.397 120.200 -0.224 0.000 2.038 408 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 408 E C 2.033 178.139 176.600 -0.822 0.000 1.000 408 E CA 1.423 57.437 56.400 -0.644 0.000 0.803 408 E CB -0.525 28.919 29.700 -0.426 0.000 0.750 408 E HN 0.432 nan 8.360 nan 0.000 0.448 409 F N 2.129 121.730 119.950 -0.581 0.000 2.126 409 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 409 F C 2.239 177.950 175.800 -0.147 0.000 1.096 409 F CA 1.684 59.450 58.000 -0.390 0.000 1.255 409 F CB -0.318 38.541 39.000 -0.235 0.000 0.997 409 F HN 0.002 nan 8.300 nan 0.000 0.479 410 E N -0.246 119.860 120.200 -0.157 0.000 2.051 410 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 410 E C 2.054 178.519 176.600 -0.225 0.000 0.991 410 E CA 1.367 57.669 56.400 -0.163 0.000 0.799 410 E CB -0.063 29.501 29.700 -0.227 0.000 0.748 410 E HN 0.316 nan 8.360 nan 0.000 0.449 411 E N 0.014 119.959 120.200 -0.425 0.000 2.106 411 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 411 E C 1.938 178.466 176.600 -0.119 0.000 0.984 411 E CA 0.692 56.869 56.400 -0.373 0.000 0.806 411 E CB -0.266 29.059 29.700 -0.626 0.000 0.750 411 E HN 0.331 nan 8.360 nan 0.000 0.458 412 F N 0.657 120.515 119.950 -0.153 0.000 2.113 412 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 412 F C 2.538 178.266 175.800 -0.120 0.000 1.103 412 F CA 0.302 58.241 58.000 -0.101 0.000 1.248 412 F CB -1.288 37.671 39.000 -0.069 0.000 0.999 412 F HN -0.159 nan 8.300 nan 0.000 0.475 413 V N 0.224 120.138 119.914 0.000 0.000 2.332 413 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 413 V C 2.336 178.395 176.094 -0.058 0.000 1.055 413 V CA 1.826 64.053 62.300 -0.122 0.000 1.038 413 V CB -0.656 30.987 31.823 -0.299 0.000 0.651 413 V HN 0.280 nan 8.190 nan 0.000 0.450 414 K N -0.615 119.764 120.400 -0.034 0.000 2.152 414 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 414 K C 2.420 179.010 176.600 -0.017 0.000 1.048 414 K CA 1.197 57.468 56.287 -0.027 0.000 0.933 414 K CB -0.151 32.324 32.500 -0.042 0.000 0.721 414 K HN 0.261 nan 8.250 nan 0.000 0.447 415 R N 0.590 121.091 120.500 0.002 0.000 2.128 415 R HA 0.046 4.386 4.340 -0.000 0.000 0.211 415 R C 1.975 178.272 176.300 -0.004 0.000 1.067 415 R CA 0.519 56.624 56.100 0.007 0.000 1.010 415 R CB 0.236 30.555 30.300 0.032 0.000 0.922 415 R HN 0.080 nan 8.270 nan 0.000 0.457 416 I N 1.435 122.002 120.570 -0.004 0.000 2.353 416 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 416 I C 0.429 176.519 176.117 -0.044 0.000 1.119 416 I CA 0.937 62.222 61.300 -0.024 0.000 1.417 416 I CB -0.676 37.311 38.000 -0.021 0.000 1.078 416 I HN 0.149 nan 8.210 nan 0.000 0.421 417 K N 0.737 121.104 120.400 -0.055 0.000 3.393 417 K HA -0.128 4.192 4.320 -0.000 0.000 0.272 417 K C -2.147 174.397 176.600 -0.093 0.000 1.004 417 K CA -0.140 56.105 56.287 -0.070 0.000 0.764 417 K CB -1.596 30.875 32.500 -0.049 0.000 1.373 417 K HN 0.360 nan 8.250 nan 0.000 0.458 418 P HA -0.010 nan 4.420 nan 0.000 0.270 418 P C 0.102 177.304 177.300 -0.163 0.000 1.223 418 P CA -0.010 63.005 63.100 -0.143 0.000 0.785 418 P CB 0.635 32.231 31.700 -0.173 0.000 0.923 419 D N -0.175 120.131 120.400 -0.157 0.000 2.194 419 D HA 0.038 4.678 4.640 -0.000 0.000 0.204 419 D C 0.600 176.763 176.300 -0.228 0.000 0.964 419 D CA 1.215 55.112 54.000 -0.171 0.000 0.846 419 D CB 0.270 40.993 40.800 -0.127 0.000 0.962 419 D HN 0.178 nan 8.370 nan 0.000 0.490 420 L N 0.080 121.168 121.223 -0.226 0.000 2.424 420 L HA 0.461 4.801 4.340 -0.000 0.000 0.258 420 L C -1.779 174.924 176.870 -0.277 0.000 0.995 420 L CA -0.639 54.052 54.840 -0.249 0.000 0.821 420 L CB 2.710 44.649 42.059 -0.201 0.000 1.383 420 L HN -0.256 nan 8.230 nan 0.000 0.410 421 I N 2.207 122.587 120.570 -0.318 0.000 2.582 421 I HA 0.653 4.823 4.170 -0.000 0.000 0.292 421 I C -0.183 175.603 176.117 -0.551 0.000 1.066 421 I CA -0.684 60.389 61.300 -0.379 0.000 1.053 421 I CB 2.235 39.971 38.000 -0.440 0.000 1.241 421 I HN 0.743 nan 8.210 nan 0.000 0.421 422 G N 2.989 111.559 108.800 -0.384 0.000 2.574 422 G HA2 0.618 4.578 3.960 -0.000 0.000 0.306 422 G HA3 0.618 4.578 3.960 -0.000 0.000 0.306 422 G C -0.919 173.861 174.900 -0.200 0.000 1.334 422 G CA -0.172 44.710 45.100 -0.364 0.000 0.954 422 G HN 0.570 nan 8.290 nan 0.000 0.500 423 S N 0.770 116.334 115.700 -0.227 0.000 3.003 423 S HA 0.831 5.301 4.470 -0.000 0.000 0.313 423 S C 0.488 175.434 174.600 0.577 0.000 1.230 423 S CA 0.194 58.564 58.200 0.284 0.000 0.977 423 S CB 0.570 64.125 63.200 0.591 0.000 1.340 423 S HN 1.128 nan 8.310 nan 0.000 0.608 424 G N 0.693 109.879 108.800 0.642 0.000 2.535 424 G HA2 0.460 4.420 3.960 -0.000 0.000 0.303 424 G HA3 0.460 4.420 3.960 -0.000 0.000 0.303 424 G C 0.790 175.853 174.900 0.273 0.000 1.237 424 G CA -0.476 44.836 45.100 0.353 0.000 0.986 424 G HN 0.584 nan 8.290 nan 0.000 0.494 425 I N -0.460 120.158 120.570 0.080 0.000 2.361 425 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 425 I C 2.338 178.475 176.117 0.034 0.000 1.133 425 I CA 1.384 62.711 61.300 0.045 0.000 1.413 425 I CB -0.330 37.734 38.000 0.107 0.000 1.073 425 I HN 0.526 nan 8.210 nan 0.000 0.424 426 K N 0.151 120.597 120.400 0.076 0.000 2.365 426 K HA -0.153 4.167 4.320 -0.000 0.000 0.199 426 K C 1.425 178.076 176.600 0.086 0.000 1.045 426 K CA 0.946 57.291 56.287 0.096 0.000 0.962 426 K CB 0.188 32.749 32.500 0.102 0.000 0.759 426 K HN 0.311 nan 8.250 nan 0.000 0.469 427 E N 0.140 120.404 120.200 0.107 0.000 2.372 427 E HA 0.005 4.355 4.350 -0.000 0.000 0.201 427 E C 1.363 177.792 176.600 -0.285 0.000 0.938 427 E CA 0.200 56.684 56.400 0.140 0.000 0.944 427 E CB 0.176 30.278 29.700 0.670 0.000 0.937 427 E HN 0.087 nan 8.360 nan 0.000 0.495 428 K N 0.570 120.464 120.400 -0.843 0.000 2.032 428 K HA -0.221 4.099 4.320 -0.000 0.000 0.218 428 K C 1.137 177.074 176.600 -1.105 0.000 1.054 428 K CA 1.860 57.025 56.287 -1.870 0.000 0.941 428 K CB -0.278 31.312 32.500 -1.518 0.000 0.720 428 K HN 0.102 nan 8.250 nan 0.000 0.449 429 F N 0.606 120.376 119.950 -0.300 0.000 2.604 429 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 429 F C 1.922 177.626 175.800 -0.159 0.000 1.131 429 F CA 0.422 58.329 58.000 -0.155 0.000 1.457 429 F CB -0.171 38.777 39.000 -0.088 0.000 1.095 429 F HN 0.037 nan 8.300 nan 0.000 0.574 430 I N -1.304 119.160 120.570 -0.177 0.000 2.286 430 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 430 I C 1.909 177.816 176.117 -0.350 0.000 1.104 430 I CA 1.214 62.320 61.300 -0.323 0.000 1.397 430 I CB -0.374 37.266 38.000 -0.601 0.000 1.072 430 I HN -0.027 nan 8.210 nan 0.000 0.417 431 F N 0.857 120.765 119.950 -0.071 0.000 2.293 431 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 431 F C 2.605 178.426 175.800 0.034 0.000 1.089 431 F CA 0.818 58.799 58.000 -0.031 0.000 1.377 431 F CB -0.728 38.286 39.000 0.024 0.000 1.051 431 F HN 0.051 nan 8.300 nan 0.000 0.511 432 Q N 0.208 120.139 119.800 0.219 0.000 2.124 432 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 432 Q C 2.031 178.218 176.000 0.312 0.000 0.977 432 Q CA 1.318 57.339 55.803 0.363 0.000 0.850 432 Q CB -0.275 28.680 28.738 0.361 0.000 0.901 432 Q HN 0.250 nan 8.270 nan 0.000 0.429 433 K N 0.695 121.200 120.400 0.175 0.000 2.103 433 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 433 K C 1.803 178.468 176.600 0.109 0.000 1.048 433 K CA 1.272 57.629 56.287 0.117 0.000 0.930 433 K CB 0.017 32.547 32.500 0.049 0.000 0.716 433 K HN 0.162 nan 8.250 nan 0.000 0.444 434 M N -1.171 118.490 119.600 0.102 0.000 2.557 434 M HA 0.062 4.542 4.480 -0.000 0.000 0.259 434 M C 0.753 177.123 176.300 0.116 0.000 1.086 434 M CA 0.982 56.335 55.300 0.089 0.000 1.096 434 M CB 0.320 32.978 32.600 0.097 0.000 1.424 434 M HN 0.387 nan 8.290 nan 0.000 0.488 435 G N 1.829 110.746 108.800 0.194 0.000 2.142 435 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 435 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 435 G C -0.129 174.766 174.900 -0.007 0.000 1.015 435 G CA -0.425 44.822 45.100 0.245 0.000 0.716 435 G HN 0.458 nan 8.290 nan 0.000 0.508 436 I N 1.075 121.573 120.570 -0.121 0.000 2.355 436 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 436 I C -2.092 173.651 176.117 -0.623 0.000 0.999 436 I CA -2.577 58.518 61.300 -0.341 0.000 1.163 436 I CB 2.005 39.921 38.000 -0.140 0.000 1.316 436 I HN -0.182 nan 8.210 nan 0.000 0.454 437 P HA -0.062 nan 4.420 nan 0.000 0.263 437 P C -1.087 176.077 177.300 -0.227 0.000 1.175 437 P CA 0.519 63.062 63.100 -0.929 0.000 0.761 437 P CB 0.230 31.465 31.700 -0.775 0.000 0.794 438 F N 3.847 123.739 119.950 -0.097 0.000 2.565 438 F HA 0.586 5.113 4.527 -0.000 0.000 0.313 438 F C -0.541 175.304 175.800 0.075 0.000 1.091 438 F CA -0.789 57.212 58.000 0.001 0.000 0.915 438 F CB 1.748 40.788 39.000 0.066 0.000 1.208 438 F HN 0.038 nan 8.300 nan 0.000 0.453 439 R N 3.992 124.287 120.500 -0.341 0.000 2.502 439 R HA 0.226 4.566 4.340 -0.000 0.000 0.300 439 R C -1.129 175.111 176.300 -0.101 0.000 0.984 439 R CA -0.728 55.347 56.100 -0.042 0.000 0.882 439 R CB 2.001 32.303 30.300 0.002 0.000 1.180 439 R HN 0.804 nan 8.270 nan 0.000 0.444 440 E N 3.546 123.886 120.200 0.234 0.000 2.351 440 E HA 0.044 4.394 4.350 -0.000 0.000 0.266 440 E C 0.671 177.436 176.600 0.276 0.000 1.031 440 E CA 0.159 56.731 56.400 0.288 0.000 0.911 440 E CB 0.764 30.584 29.700 0.200 0.000 0.986 440 E HN 0.198 nan 8.360 nan 0.000 0.446 441 M N 2.442 122.187 119.600 0.242 0.000 2.383 441 M HA 0.069 4.549 4.480 -0.000 0.000 0.247 441 M C 0.857 177.078 176.300 -0.133 0.000 1.117 441 M CA 0.462 55.920 55.300 0.263 0.000 0.995 441 M CB -0.322 32.375 32.600 0.161 0.000 1.480 441 M HN 0.557 nan 8.290 nan 0.000 0.485 442 H N -0.899 118.075 119.070 -0.161 0.000 2.368 442 H HA 0.172 4.728 4.556 -0.000 0.000 0.311 442 H C 1.822 176.811 175.328 -0.565 0.000 1.042 442 H CA 1.603 57.458 56.048 -0.322 0.000 1.377 442 H CB 0.169 29.854 29.762 -0.130 0.000 1.473 442 H HN 0.358 nan 8.280 nan 0.000 0.593 443 S N -0.522 115.061 115.700 -0.196 0.000 2.593 443 S HA -0.082 4.388 4.470 -0.000 0.000 0.217 443 S C 0.321 174.790 174.600 -0.218 0.000 0.966 443 S CA -0.240 57.792 58.200 -0.280 0.000 0.914 443 S CB -0.658 62.429 63.200 -0.188 0.000 0.776 443 S HN 0.656 nan 8.310 nan 0.000 0.523 444 W N 1.241 122.427 121.300 -0.189 0.000 3.834 444 W HA -0.201 4.459 4.660 -0.000 0.000 0.320 444 W C -0.203 176.184 176.519 -0.220 0.000 1.201 444 W CA -0.008 57.166 57.345 -0.285 0.000 0.701 444 W CB -2.434 26.652 29.460 -0.623 0.000 2.264 444 W HN 0.309 nan 8.180 nan 0.000 1.413 445 D N -0.920 119.403 120.400 -0.129 0.000 2.708 445 D HA -0.247 4.393 4.640 -0.000 0.000 0.236 445 D C 0.153 176.220 176.300 -0.389 0.000 1.146 445 D CA 2.236 55.999 54.000 -0.395 0.000 0.662 445 D CB -1.399 39.411 40.800 0.016 0.000 1.059 445 D HN 0.592 nan 8.370 nan 0.000 0.428 446 Y N -3.114 117.294 120.300 0.179 0.000 4.177 446 Y HA -0.284 4.266 4.550 -0.000 0.000 0.227 446 Y C 1.033 177.030 175.900 0.162 0.000 1.154 446 Y CA 0.911 59.107 58.100 0.159 0.000 1.887 446 Y CB -2.255 36.300 38.460 0.158 0.000 1.594 446 Y HN 0.168 nan 8.280 nan 0.000 0.668 447 S N -0.194 115.612 115.700 0.177 0.000 2.690 447 S HA 0.779 5.249 4.470 -0.000 0.000 0.291 447 S C 1.017 175.674 174.600 0.094 0.000 1.138 447 S CA -0.214 58.082 58.200 0.160 0.000 1.013 447 S CB 1.111 64.414 63.200 0.172 0.000 1.053 447 S HN 0.739 nan 8.310 nan 0.000 0.539 448 G N 2.360 111.236 108.800 0.126 0.000 2.825 448 G HA2 0.222 4.182 3.960 -0.000 0.000 0.241 448 G HA3 0.222 4.182 3.960 -0.000 0.000 0.241 448 G C -2.492 172.411 174.900 0.005 0.000 1.239 448 G CA -0.741 44.428 45.100 0.115 0.000 0.859 448 G HN 0.598 nan 8.290 nan 0.000 0.598 449 P HA -0.039 nan 4.420 nan 0.000 0.267 449 P C -0.610 176.705 177.300 0.025 0.000 1.201 449 P CA 0.290 63.368 63.100 -0.037 0.000 0.775 449 P CB 0.560 32.284 31.700 0.040 0.000 0.854 450 Y N -1.585 118.502 120.300 -0.355 0.000 2.453 450 Y HA 0.193 4.743 4.550 -0.000 0.000 0.247 450 Y C 1.386 177.187 175.900 -0.164 0.000 1.124 450 Y CA -0.477 57.411 58.100 -0.353 0.000 1.243 450 Y CB -0.712 37.292 38.460 -0.759 0.000 1.213 450 Y HN 0.429 nan 8.280 nan 0.000 0.523 451 H N -0.470 118.509 119.070 -0.152 0.000 2.551 451 H HA 0.443 4.999 4.556 -0.000 0.000 0.358 451 H C 0.978 176.195 175.328 -0.185 0.000 1.151 451 H CA 0.099 55.977 56.048 -0.285 0.000 1.374 451 H CB 1.083 30.689 29.762 -0.260 0.000 1.473 451 H HN 0.335 nan 8.280 nan 0.000 0.574 452 G N 0.801 109.485 108.800 -0.194 0.000 2.804 452 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.230 452 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.230 452 G C 0.115 174.774 174.900 -0.402 0.000 1.386 452 G CA 0.124 44.926 45.100 -0.495 0.000 0.875 452 G HN 0.489 nan 8.290 nan 0.000 0.557 453 F N 0.176 119.951 119.950 -0.292 0.000 2.113 453 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 453 F C 2.629 178.456 175.800 0.046 0.000 1.103 453 F CA 1.863 59.770 58.000 -0.154 0.000 1.248 453 F CB -0.539 38.268 39.000 -0.321 0.000 0.999 453 F HN 0.420 nan 8.300 nan 0.000 0.475 454 D N -0.076 120.437 120.400 0.187 0.000 2.123 454 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 454 D C 2.547 178.956 176.300 0.182 0.000 0.992 454 D CA 1.538 55.662 54.000 0.206 0.000 0.833 454 D CB -0.947 39.959 40.800 0.177 0.000 0.954 454 D HN 0.330 nan 8.370 nan 0.000 0.455 455 G N -0.190 108.695 108.800 0.142 0.000 2.422 455 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 455 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 455 G C 1.446 176.430 174.900 0.139 0.000 1.140 455 G CA 0.141 45.327 45.100 0.143 0.000 0.775 455 G HN 0.225 nan 8.290 nan 0.000 0.545 456 F N 2.586 122.538 119.950 0.004 0.000 2.126 456 F HA -0.000 4.527 4.527 -0.000 0.000 0.299 456 F C 2.700 178.535 175.800 0.059 0.000 1.096 456 F CA 1.150 59.152 58.000 0.002 0.000 1.255 456 F CB -0.320 38.693 39.000 0.022 0.000 0.997 456 F HN 0.219 nan 8.300 nan 0.000 0.479 457 A N 0.540 123.396 122.820 0.059 0.000 1.933 457 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 457 A C 2.287 179.777 177.584 -0.156 0.000 1.175 457 A CA 2.012 54.024 52.037 -0.041 0.000 0.628 457 A CB -1.165 17.916 19.000 0.135 0.000 0.814 457 A HN 0.506 nan 8.150 nan 0.000 0.444 458 I N -2.063 118.467 120.570 -0.066 0.000 2.353 458 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 458 I C 2.297 178.265 176.117 -0.248 0.000 1.119 458 I CA 1.125 62.397 61.300 -0.047 0.000 1.417 458 I CB -0.335 37.748 38.000 0.138 0.000 1.078 458 I HN 0.429 nan 8.210 nan 0.000 0.421 459 F N 2.245 121.781 119.950 -0.690 0.000 2.102 459 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 459 F C 2.474 177.758 175.800 -0.860 0.000 1.105 459 F CA 1.541 58.795 58.000 -1.244 0.000 1.239 459 F CB -0.387 37.865 39.000 -1.246 0.000 0.991 459 F HN -0.009 nan 8.300 nan 0.000 0.474 460 A N 0.645 122.910 122.820 -0.926 0.000 1.930 460 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 460 A C 2.436 179.324 177.584 -1.160 0.000 1.175 460 A CA 1.577 52.992 52.037 -1.036 0.000 0.627 460 A CB -0.862 17.572 19.000 -0.943 0.000 0.815 460 A HN 0.500 nan 8.150 nan 0.000 0.443 461 R N -0.456 119.442 120.500 -1.004 0.000 2.092 461 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 461 R C 1.149 177.181 176.300 -0.446 0.000 1.119 461 R CA 1.697 57.312 56.100 -0.809 0.000 0.970 461 R CB -0.272 29.816 30.300 -0.353 0.000 0.864 461 R HN 0.411 nan 8.270 nan 0.000 0.440 462 D N 0.277 120.440 120.400 -0.396 0.000 2.123 462 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 462 D C 1.785 177.929 176.300 -0.260 0.000 0.976 462 D CA 1.090 54.957 54.000 -0.221 0.000 0.831 462 D CB -0.080 40.661 40.800 -0.099 0.000 0.974 462 D HN 0.125 nan 8.370 nan 0.000 0.469 463 M N 0.657 119.962 119.600 -0.493 0.000 2.086 463 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 463 M C 1.627 177.794 176.300 -0.222 0.000 1.067 463 M CA 1.386 56.444 55.300 -0.404 0.000 1.116 463 M CB -0.468 31.746 32.600 -0.643 0.000 1.348 463 M HN -0.069 nan 8.290 nan 0.000 0.407 464 D N -0.750 119.499 120.400 -0.253 0.000 2.097 464 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 464 D C 2.093 178.397 176.300 0.007 0.000 0.984 464 D CA 1.591 55.545 54.000 -0.075 0.000 0.826 464 D CB -0.177 40.628 40.800 0.009 0.000 0.973 464 D HN 0.362 nan 8.370 nan 0.000 0.460 465 M N -0.313 119.277 119.600 -0.016 0.000 2.108 465 M HA -0.214 4.266 4.480 -0.000 0.000 0.257 465 M C 1.480 177.850 176.300 0.117 0.000 1.071 465 M CA 1.902 57.234 55.300 0.053 0.000 1.093 465 M CB -0.254 32.365 32.600 0.033 0.000 1.345 465 M HN 0.047 nan 8.290 nan 0.000 0.403 466 T N 0.684 115.312 114.554 0.123 0.000 2.939 466 T HA -0.008 4.342 4.350 -0.000 0.000 0.254 466 T C 1.548 176.436 174.700 0.314 0.000 1.041 466 T CA 0.760 63.015 62.100 0.259 0.000 1.142 466 T CB -0.071 68.922 68.868 0.209 0.000 0.874 466 T HN 0.287 nan 8.240 nan 0.000 0.452 467 L N 1.942 123.230 121.223 0.108 0.000 2.093 467 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 467 L C 1.141 178.076 176.870 0.108 0.000 1.085 467 L CA 1.734 56.584 54.840 0.017 0.000 0.755 467 L CB -0.722 41.313 42.059 -0.040 0.000 0.904 467 L HN 0.194 nan 8.230 nan 0.000 0.435 468 N N -1.081 117.711 118.700 0.153 0.000 2.235 468 N HA 0.024 4.764 4.740 -0.000 0.000 0.209 468 N C 0.070 175.702 175.510 0.203 0.000 1.122 468 N CA -0.228 52.919 53.050 0.160 0.000 0.845 468 N CB -0.016 38.534 38.487 0.105 0.000 1.004 468 N HN 0.277 nan 8.380 nan 0.000 0.499 469 N N 2.125 121.001 118.700 0.293 0.000 2.479 469 N HA 0.017 4.757 4.740 -0.000 0.000 0.257 469 N C -1.414 174.158 175.510 0.104 0.000 1.232 469 N CA -1.081 52.066 53.050 0.161 0.000 0.920 469 N CB 1.161 39.705 38.487 0.096 0.000 1.105 469 N HN 0.044 nan 8.380 nan 0.000 0.444 470 P HA -0.074 nan 4.420 nan 0.000 0.221 470 P C 1.680 178.927 177.300 -0.089 0.000 1.150 470 P CA 0.834 63.930 63.100 -0.006 0.000 0.800 470 P CB -0.245 31.449 31.700 -0.009 0.000 0.787 471 C N -2.398 116.744 119.300 -0.263 0.000 2.403 471 C HA -0.060 4.400 4.460 -0.000 0.000 0.279 471 C C 2.429 177.213 174.990 -0.343 0.000 1.269 471 C CA -0.183 58.611 59.018 -0.373 0.000 1.774 471 C CB -2.607 24.800 27.740 -0.556 0.000 1.993 471 C HN 0.232 nan 8.230 nan 0.000 0.496 472 W N 1.736 123.053 121.300 0.028 0.000 2.538 472 W HA 0.047 4.707 4.660 -0.000 0.000 0.254 472 W C 2.505 179.031 176.519 0.011 0.000 1.249 472 W CA 0.660 58.019 57.345 0.024 0.000 1.253 472 W CB -0.285 29.191 29.460 0.027 0.000 1.130 472 W HN 0.398 nan 8.180 nan 0.000 0.618 473 K N -0.035 120.457 120.400 0.153 0.000 2.352 473 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 473 K C 1.598 178.219 176.600 0.036 0.000 1.038 473 K CA 0.383 56.726 56.287 0.093 0.000 1.023 473 K CB 0.083 32.624 32.500 0.069 0.000 0.840 473 K HN -0.086 nan 8.250 nan 0.000 0.519 474 K N 0.893 121.296 120.400 0.006 0.000 2.426 474 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 474 K C 1.706 178.282 176.600 -0.039 0.000 1.028 474 K CA 0.117 56.385 56.287 -0.031 0.000 1.047 474 K CB 0.085 32.554 32.500 -0.051 0.000 0.821 474 K HN 0.067 nan 8.250 nan 0.000 0.513 475 L N 1.020 122.244 121.223 0.001 0.000 2.034 475 L HA -0.202 4.138 4.340 -0.000 0.000 0.217 475 L C 1.321 178.161 176.870 -0.050 0.000 1.077 475 L CA 1.701 56.544 54.840 0.005 0.000 0.769 475 L CB -0.854 41.249 42.059 0.074 0.000 0.890 475 L HN 0.381 nan 8.230 nan 0.000 0.435 476 Q N -0.299 119.459 119.800 -0.069 0.000 2.256 476 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 476 Q C -0.270 175.585 176.000 -0.241 0.000 0.916 476 Q CA -0.320 55.404 55.803 -0.133 0.000 0.932 476 Q CB 1.522 30.203 28.738 -0.096 0.000 1.207 476 Q HN 0.302 nan 8.270 nan 0.000 0.426 477 A N 5.556 128.129 122.820 -0.411 0.000 2.477 477 A HA 0.206 4.526 4.320 -0.000 0.000 0.246 477 A C -1.813 175.363 177.584 -0.679 0.000 1.078 477 A CA -1.138 50.424 52.037 -0.793 0.000 0.770 477 A CB -0.020 18.125 19.000 -1.426 0.000 1.011 477 A HN 0.808 nan 8.150 nan 0.000 0.494 478 P HA -0.153 nan 4.420 nan 0.000 0.218 478 P C 0.617 177.906 177.300 -0.018 0.000 1.146 478 P CA 1.726 64.737 63.100 -0.148 0.000 0.813 478 P CB -0.020 31.697 31.700 0.027 0.000 0.778 479 W N -0.352 120.954 121.300 0.011 0.000 3.391 479 W HA 0.375 5.035 4.660 0.000 0.000 0.372 479 W C -0.659 175.866 176.519 0.010 0.000 1.171 479 W CA -0.438 56.913 57.345 0.010 0.000 1.862 479 W CB -0.755 28.709 29.460 0.008 0.000 1.048 479 W HN -0.091 nan 8.180 nan 0.000 0.726 480 E N 1.187 121.330 120.200 -0.095 0.000 2.621 480 E HA 0.453 4.803 4.350 -0.000 0.000 0.263 480 E C -0.033 176.534 176.600 -0.054 0.000 1.033 480 E CA -0.563 55.801 56.400 -0.060 0.000 0.778 480 E CB 1.146 30.759 29.700 -0.145 0.000 1.426 480 E HN 0.144 nan 8.360 nan 0.000 0.394 481 A N 0.000 122.816 122.820 -0.006 0.000 2.254 481 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 481 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 481 A CB 0.000 19.006 19.000 0.011 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486