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 2b5w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKAIAVKRGE DRPVVIEKPR PEPESGEALV RTLRVGVCGT DHEVIAGGHG DATA SEQUENCE GFPEGEDHLV LGHEAVGVVV DPNDTELEEG DIVVPTVRRP PASGTNEYFE DATA SEQUENCE RDQPDMAPDG MYFERGIVGA HGYMSEFFTS PEKYLVRIPR SQAELGFLIE DATA SEQUENCE PISITEKALE HAYASRSAFD WDPSSAFVLG NGSLGLLTLA MLKVDDKGYE DATA SEQUENCE NLYCLGRRDR PDPTIDIIEE LDATYVDSRQ TPVEDVPDVY EQMDFIYEAT DATA SEQUENCE GFPKHAIQSV QALAPNGVGA LLGVPSDWAF EVDAGAFHRE MVLHNKALVG DATA SEQUENCE SVNSHVEHFE AATVTFTKLP KWFLEDLVTG VHPLSEFEAA FDDDDTTIKT DATA SEQUENCE AIEFSTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.367 55.300 0.112 0.000 0.988 1 M CB 0.000 32.720 32.600 0.200 0.000 1.302 2 K N 1.158 121.617 120.400 0.097 0.000 2.144 2 K HA 0.874 5.194 4.320 -0.000 0.000 0.270 2 K C -0.711 175.943 176.600 0.091 0.000 1.005 2 K CA -0.251 56.076 56.287 0.067 0.000 0.932 2 K CB 1.823 34.364 32.500 0.069 0.000 1.021 2 K HN 0.739 nan 8.250 nan 0.000 0.462 3 A N 2.449 125.280 122.820 0.019 0.000 2.587 3 A HA 0.578 4.898 4.320 -0.000 0.000 0.293 3 A C -1.457 176.087 177.584 -0.066 0.000 1.087 3 A CA -0.799 51.247 52.037 0.016 0.000 0.692 3 A CB 1.064 20.031 19.000 -0.055 0.000 1.291 3 A HN 0.479 nan 8.150 nan 0.000 0.407 4 I N 1.119 121.663 120.570 -0.044 0.000 2.339 4 I HA 0.674 4.844 4.170 -0.000 0.000 0.290 4 I C 0.445 176.515 176.117 -0.078 0.000 0.994 4 I CA -0.187 61.025 61.300 -0.146 0.000 1.191 4 I CB 0.664 38.580 38.000 -0.141 0.000 1.343 4 I HN 0.872 nan 8.210 nan 0.000 0.458 5 A N 6.225 128.981 122.820 -0.106 0.000 2.515 5 A HA 0.837 5.157 4.320 -0.000 0.000 0.296 5 A C -0.757 176.782 177.584 -0.075 0.000 1.094 5 A CA -0.605 51.389 52.037 -0.071 0.000 0.718 5 A CB 1.987 20.948 19.000 -0.064 0.000 1.307 5 A HN 0.485 nan 8.150 nan 0.000 0.408 6 V N -0.889 118.983 119.914 -0.069 0.000 2.472 6 V HA 0.756 4.876 4.120 -0.000 0.000 0.290 6 V C -0.373 175.741 176.094 0.034 0.000 1.037 6 V CA -0.662 61.637 62.300 -0.001 0.000 0.908 6 V CB 0.851 32.718 31.823 0.073 0.000 0.985 6 V HN 0.833 nan 8.190 nan 0.000 0.454 7 K N 2.601 123.089 120.400 0.147 0.000 2.340 7 K HA 0.592 4.912 4.320 -0.000 0.000 0.244 7 K C -0.405 176.375 176.600 0.301 0.000 0.973 7 K CA -0.969 55.459 56.287 0.236 0.000 0.828 7 K CB 2.121 34.687 32.500 0.111 0.000 1.226 7 K HN 0.698 nan 8.250 nan 0.000 0.437 8 R N 0.532 121.201 120.500 0.281 0.000 2.484 8 R HA 0.049 4.389 4.340 -0.000 0.000 0.293 8 R C 0.792 177.094 176.300 0.003 0.000 1.023 8 R CA 1.289 57.389 56.100 -0.000 0.000 1.037 8 R CB 0.040 30.187 30.300 -0.255 0.000 0.951 8 R HN 1.001 nan 8.270 nan 0.000 0.418 9 G N 1.943 110.745 108.800 0.003 0.000 2.258 9 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.233 9 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.233 9 G C -0.056 174.856 174.900 0.021 0.000 1.006 9 G CA -0.355 44.748 45.100 0.005 0.000 0.620 9 G HN 0.532 nan 8.290 nan 0.000 0.511 10 E N 1.143 121.366 120.200 0.038 0.000 2.227 10 E HA 0.355 4.705 4.350 -0.000 0.000 0.282 10 E C 0.159 176.778 176.600 0.033 0.000 1.015 10 E CA -0.530 55.889 56.400 0.031 0.000 0.823 10 E CB 1.208 30.927 29.700 0.031 0.000 1.081 10 E HN 0.232 nan 8.360 nan 0.000 0.396 11 D N 1.940 122.352 120.400 0.020 0.000 2.277 11 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 11 D C 0.397 176.699 176.300 0.003 0.000 0.962 11 D CA 0.865 54.876 54.000 0.018 0.000 0.865 11 D CB 0.537 41.345 40.800 0.014 0.000 0.939 11 D HN 0.194 nan 8.370 nan 0.000 0.510 12 R N -0.005 120.489 120.500 -0.011 0.000 2.892 12 R HA 0.471 4.811 4.340 -0.000 0.000 0.265 12 R C -2.566 173.687 176.300 -0.078 0.000 1.025 12 R CA -1.822 54.246 56.100 -0.053 0.000 0.982 12 R CB 1.353 31.632 30.300 -0.035 0.000 1.185 12 R HN -0.176 nan 8.270 nan 0.000 0.484 13 P HA 0.039 nan 4.420 nan 0.000 0.269 13 P C -0.987 176.335 177.300 0.038 0.000 1.209 13 P CA -0.302 62.696 63.100 -0.171 0.000 0.776 13 P CB 0.731 32.134 31.700 -0.495 0.000 0.876 14 V N -0.176 119.740 119.914 0.005 0.000 3.102 14 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 14 V C -0.490 175.551 176.094 -0.087 0.000 1.135 14 V CA -1.118 61.215 62.300 0.056 0.000 1.022 14 V CB 1.939 33.779 31.823 0.028 0.000 1.056 14 V HN 0.149 nan 8.190 nan 0.000 0.436 15 V N 3.793 123.666 119.914 -0.067 0.000 2.488 15 V HA 0.463 4.583 4.120 -0.000 0.000 0.277 15 V C 0.330 176.365 176.094 -0.098 0.000 1.046 15 V CA 0.113 62.329 62.300 -0.139 0.000 0.986 15 V CB 0.553 32.328 31.823 -0.080 0.000 0.989 15 V HN 0.903 nan 8.190 nan 0.000 0.475 16 I N 1.599 122.089 120.570 -0.134 0.000 3.170 16 I HA 0.815 4.985 4.170 -0.000 0.000 0.312 16 I C -0.515 175.531 176.117 -0.117 0.000 1.085 16 I CA -0.959 60.249 61.300 -0.152 0.000 0.999 16 I CB 2.438 40.273 38.000 -0.276 0.000 1.233 16 I HN 0.470 nan 8.210 nan 0.000 0.467 17 E N 1.549 121.681 120.200 -0.113 0.000 2.266 17 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 17 E C -1.502 175.044 176.600 -0.089 0.000 0.879 17 E CA -0.998 55.358 56.400 -0.073 0.000 0.762 17 E CB 2.556 32.233 29.700 -0.038 0.000 1.199 17 E HN 0.639 nan 8.360 nan 0.000 0.422 18 K N 0.535 120.900 120.400 -0.057 0.000 2.579 18 K HA 0.556 4.876 4.320 -0.000 0.000 0.284 18 K C -3.125 173.468 176.600 -0.012 0.000 0.990 18 K CA -2.039 54.221 56.287 -0.045 0.000 0.880 18 K CB 1.161 33.619 32.500 -0.069 0.000 1.488 18 K HN 0.077 nan 8.250 nan 0.000 0.425 19 P HA 0.078 nan 4.420 nan 0.000 0.269 19 P C -0.846 176.456 177.300 0.004 0.000 1.209 19 P CA -0.343 62.754 63.100 -0.004 0.000 0.776 19 P CB 0.496 32.193 31.700 -0.005 0.000 0.876 20 R N 3.328 123.818 120.500 -0.017 0.000 2.585 20 R HA 0.103 4.443 4.340 -0.000 0.000 0.275 20 R C -1.663 174.625 176.300 -0.021 0.000 1.018 20 R CA -0.896 55.184 56.100 -0.033 0.000 1.072 20 R CB -0.276 29.914 30.300 -0.182 0.000 0.953 20 R HN 0.471 nan 8.270 nan 0.000 0.419 21 P HA 0.052 nan 4.420 nan 0.000 0.274 21 P C -1.196 176.104 177.300 -0.001 0.000 1.231 21 P CA -0.016 63.105 63.100 0.035 0.000 0.790 21 P CB 0.839 32.595 31.700 0.093 0.000 0.951 22 E N 2.367 122.570 120.200 0.005 0.000 2.171 22 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 22 E C -2.132 174.478 176.600 0.015 0.000 0.916 22 E CA -2.135 54.261 56.400 -0.008 0.000 0.774 22 E CB 0.962 30.654 29.700 -0.014 0.000 1.128 22 E HN 0.406 nan 8.360 nan 0.000 0.403 23 P HA 0.047 nan 4.420 nan 0.000 0.276 23 P C -0.532 176.781 177.300 0.023 0.000 1.235 23 P CA 0.099 63.214 63.100 0.025 0.000 0.772 23 P CB 0.919 32.626 31.700 0.011 0.000 0.871 24 E N 0.758 120.979 120.200 0.035 0.000 2.351 24 E HA 0.163 4.513 4.350 -0.000 0.000 0.255 24 E C 0.270 176.884 176.600 0.023 0.000 1.188 24 E CA -0.672 55.746 56.400 0.030 0.000 0.940 24 E CB 0.464 30.188 29.700 0.039 0.000 1.094 24 E HN 0.361 nan 8.360 nan 0.000 0.474 25 S N -0.481 115.229 115.700 0.017 0.000 2.558 25 S HA 0.191 4.661 4.470 -0.000 0.000 0.293 25 S C 1.049 175.656 174.600 0.012 0.000 1.292 25 S CA 0.957 59.163 58.200 0.011 0.000 1.063 25 S CB -0.177 63.028 63.200 0.008 0.000 0.831 25 S HN 0.769 nan 8.310 nan 0.000 0.499 26 G N 3.370 112.172 108.800 0.004 0.000 2.179 26 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 26 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 26 G C -0.182 174.720 174.900 0.003 0.000 0.977 26 G CA 0.476 45.574 45.100 -0.004 0.000 0.641 26 G HN 0.720 nan 8.290 nan 0.000 0.533 27 E N 0.104 120.316 120.200 0.020 0.000 2.202 27 E HA 0.700 5.050 4.350 -0.000 0.000 0.272 27 E C 0.197 176.808 176.600 0.019 0.000 0.951 27 E CA -0.209 56.213 56.400 0.037 0.000 0.813 27 E CB 1.885 31.623 29.700 0.064 0.000 1.151 27 E HN 0.595 nan 8.360 nan 0.000 0.398 28 A N 1.884 124.714 122.820 0.017 0.000 2.320 28 A HA 0.531 4.851 4.320 -0.000 0.000 0.334 28 A C -1.096 176.473 177.584 -0.025 0.000 1.147 28 A CA -0.661 51.370 52.037 -0.010 0.000 0.820 28 A CB 0.809 19.794 19.000 -0.026 0.000 1.218 28 A HN 0.472 nan 8.150 nan 0.000 0.482 29 L N 2.136 123.334 121.223 -0.042 0.000 2.276 29 L HA 0.612 4.952 4.340 -0.000 0.000 0.286 29 L C -0.752 176.050 176.870 -0.114 0.000 1.061 29 L CA 0.105 54.908 54.840 -0.060 0.000 0.807 29 L CB 1.281 43.320 42.059 -0.033 0.000 1.177 29 L HN 0.399 nan 8.230 nan 0.000 0.429 30 V N 5.506 125.254 119.914 -0.276 0.000 2.604 30 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 30 V C -0.074 175.809 176.094 -0.351 0.000 1.043 30 V CA -0.830 61.199 62.300 -0.451 0.000 0.888 30 V CB 1.638 32.834 31.823 -1.045 0.000 0.995 30 V HN 0.758 nan 8.190 nan 0.000 0.429 31 R N 2.366 122.726 120.500 -0.234 0.000 2.234 31 R HA 0.387 4.727 4.340 -0.000 0.000 0.324 31 R C -0.172 175.937 176.300 -0.319 0.000 1.054 31 R CA -0.271 55.576 56.100 -0.420 0.000 0.912 31 R CB 0.771 30.882 30.300 -0.316 0.000 1.030 31 R HN 0.814 nan 8.270 nan 0.000 0.455 32 T N 5.840 120.209 114.554 -0.308 0.000 2.888 32 T HA 0.076 4.426 4.350 -0.000 0.000 0.301 32 T C 1.292 175.979 174.700 -0.021 0.000 1.001 32 T CA -0.071 61.981 62.100 -0.081 0.000 1.147 32 T CB 0.741 69.487 68.868 -0.203 0.000 0.931 32 T HN 0.554 nan 8.240 nan 0.000 0.541 33 L N 2.437 123.695 121.223 0.058 0.000 2.296 33 L HA 0.349 4.689 4.340 -0.000 0.000 0.193 33 L C 1.156 178.130 176.870 0.174 0.000 1.123 33 L CA 0.572 55.468 54.840 0.093 0.000 0.805 33 L CB 0.065 42.167 42.059 0.072 0.000 1.004 33 L HN 0.415 nan 8.230 nan 0.000 0.478 34 R N -0.860 119.748 120.500 0.180 0.000 2.725 34 R HA 0.648 4.988 4.340 -0.000 0.000 0.277 34 R C -1.619 174.770 176.300 0.149 0.000 0.987 34 R CA -0.588 55.619 56.100 0.179 0.000 0.901 34 R CB 2.910 33.314 30.300 0.173 0.000 1.207 34 R HN -0.200 nan 8.270 nan 0.000 0.463 35 V N 1.252 121.214 119.914 0.079 0.000 2.525 35 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 35 V C 0.403 176.411 176.094 -0.143 0.000 1.034 35 V CA -0.935 61.383 62.300 0.030 0.000 0.863 35 V CB 1.845 33.717 31.823 0.082 0.000 0.999 35 V HN 0.957 nan 8.190 nan 0.000 0.423 36 G N 2.814 111.533 108.800 -0.135 0.000 2.572 36 G HA2 0.529 4.489 3.960 -0.000 0.000 0.261 36 G HA3 0.529 4.489 3.960 -0.000 0.000 0.261 36 G C -0.722 174.081 174.900 -0.161 0.000 1.197 36 G CA -0.311 44.666 45.100 -0.205 0.000 0.870 36 G HN 0.595 nan 8.290 nan 0.000 0.548 37 V N 0.222 120.048 119.914 -0.146 0.000 2.540 37 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 37 V C 0.440 176.553 176.094 0.032 0.000 1.035 37 V CA -0.669 61.566 62.300 -0.109 0.000 0.873 37 V CB 0.736 32.402 31.823 -0.261 0.000 0.992 37 V HN 1.227 nan 8.190 nan 0.000 0.428 38 C N 1.964 121.338 119.300 0.123 0.000 3.307 38 C HA 0.837 5.297 4.460 -0.000 0.000 0.350 38 C C 1.869 177.042 174.990 0.305 0.000 1.549 38 C CA 0.157 59.307 59.018 0.219 0.000 1.396 38 C CB 1.154 29.035 27.740 0.234 0.000 1.970 38 C HN 0.927 nan 8.230 nan 0.000 0.441 39 G N 0.576 109.548 108.800 0.287 0.000 2.442 39 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 39 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 39 G C 1.232 176.284 174.900 0.254 0.000 1.141 39 G CA 1.922 47.196 45.100 0.289 0.000 0.763 39 G HN 0.929 nan 8.290 nan 0.000 0.554 40 T N 1.074 115.755 114.554 0.212 0.000 2.699 40 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 40 T C 1.949 176.753 174.700 0.174 0.000 1.036 40 T CA 1.484 63.674 62.100 0.150 0.000 1.147 40 T CB -0.306 68.587 68.868 0.042 0.000 0.862 40 T HN 0.309 nan 8.240 nan 0.000 0.446 41 D N 0.321 120.858 120.400 0.228 0.000 2.117 41 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 41 D C 2.030 178.377 176.300 0.079 0.000 0.987 41 D CA 1.049 55.142 54.000 0.155 0.000 0.829 41 D CB -0.221 40.656 40.800 0.128 0.000 0.961 41 D HN 0.517 nan 8.370 nan 0.000 0.460 42 H N 1.068 120.254 119.070 0.194 0.000 2.389 42 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 42 H C 1.960 177.350 175.328 0.105 0.000 1.081 42 H CA 0.821 56.959 56.048 0.151 0.000 1.345 42 H CB 0.145 29.990 29.762 0.138 0.000 1.393 42 H HN 0.354 nan 8.280 nan 0.000 0.520 43 E N 0.337 120.662 120.200 0.208 0.000 2.077 43 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 43 E C 2.422 179.083 176.600 0.102 0.000 0.989 43 E CA 0.916 57.395 56.400 0.131 0.000 0.800 43 E CB 0.103 29.867 29.700 0.106 0.000 0.746 43 E HN 0.105 nan 8.360 nan 0.000 0.452 44 V N 1.288 121.264 119.914 0.103 0.000 2.407 44 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 44 V C 2.172 178.325 176.094 0.097 0.000 1.055 44 V CA 1.488 63.844 62.300 0.094 0.000 1.049 44 V CB -0.349 31.532 31.823 0.095 0.000 0.662 44 V HN 0.263 nan 8.190 nan 0.000 0.455 45 I N 0.430 121.051 120.570 0.084 0.000 2.252 45 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 45 I C 2.557 178.719 176.117 0.074 0.000 1.102 45 I CA 1.444 62.780 61.300 0.060 0.000 1.385 45 I CB -0.481 37.529 38.000 0.017 0.000 1.064 45 I HN 0.269 nan 8.210 nan 0.000 0.414 46 A N 0.669 123.539 122.820 0.084 0.000 2.066 46 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 46 A C 1.661 179.274 177.584 0.049 0.000 1.157 46 A CA 1.127 53.204 52.037 0.066 0.000 0.670 46 A CB -1.078 17.965 19.000 0.071 0.000 0.804 46 A HN 0.410 nan 8.150 nan 0.000 0.453 47 G N -1.219 107.612 108.800 0.053 0.000 2.516 47 G HA2 0.454 4.414 3.960 -0.000 0.000 0.276 47 G HA3 0.454 4.414 3.960 -0.000 0.000 0.276 47 G C 0.583 175.489 174.900 0.010 0.000 1.390 47 G CA -0.039 45.077 45.100 0.026 0.000 1.050 47 G HN 0.587 nan 8.290 nan 0.000 0.519 48 G N -2.049 106.722 108.800 -0.047 0.000 2.531 48 G HA2 0.417 4.377 3.960 -0.000 0.000 0.281 48 G HA3 0.417 4.377 3.960 -0.000 0.000 0.281 48 G C 0.524 175.307 174.900 -0.196 0.000 1.382 48 G CA 0.014 45.040 45.100 -0.124 0.000 1.045 48 G HN 0.797 nan 8.290 nan 0.000 0.533 49 H N -1.058 117.751 119.070 -0.435 0.000 2.507 49 H HA 0.202 4.758 4.556 -0.000 0.000 0.294 49 H C 1.664 176.598 175.328 -0.658 0.000 1.064 49 H CA 0.322 55.735 56.048 -1.058 0.000 1.138 49 H CB -0.271 28.618 29.762 -1.454 0.000 1.515 49 H HN 0.516 nan 8.280 nan 0.000 0.547 50 G N 1.107 109.635 108.800 -0.454 0.000 2.408 50 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 50 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 50 G C 1.755 176.583 174.900 -0.121 0.000 1.150 50 G CA 0.473 45.407 45.100 -0.276 0.000 0.776 50 G HN 0.525 nan 8.290 nan 0.000 0.542 51 G N -0.129 108.647 108.800 -0.041 0.000 2.776 51 G HA2 0.154 4.114 3.960 -0.000 0.000 0.209 51 G HA3 0.154 4.114 3.960 -0.000 0.000 0.209 51 G C 0.241 175.210 174.900 0.114 0.000 1.145 51 G CA -0.541 44.574 45.100 0.026 0.000 0.791 51 G HN 0.152 nan 8.290 nan 0.000 0.530 52 F N 1.151 121.024 119.950 -0.128 0.000 2.553 52 F HA 0.283 4.810 4.527 0.000 0.000 0.356 52 F C -1.661 173.968 175.800 -0.285 0.000 1.142 52 F CA -3.143 54.750 58.000 -0.178 0.000 1.322 52 F CB 0.318 39.266 39.000 -0.086 0.000 1.126 52 F HN -0.100 nan 8.300 nan 0.000 0.599 53 P HA -0.018 nan 4.420 nan 0.000 0.268 53 P C -0.432 176.745 177.300 -0.206 0.000 1.205 53 P CA -0.186 62.666 63.100 -0.413 0.000 0.771 53 P CB 0.378 31.685 31.700 -0.656 0.000 0.858 54 E N 2.522 122.616 120.200 -0.175 0.000 3.025 54 E HA 0.054 4.404 4.350 -0.000 0.000 0.248 54 E C 1.437 178.015 176.600 -0.037 0.000 0.938 54 E CA 1.933 58.293 56.400 -0.067 0.000 0.958 54 E CB -1.107 28.575 29.700 -0.030 0.000 0.898 54 E HN 0.730 nan 8.360 nan 0.000 0.537 55 G N 3.622 112.421 108.800 -0.001 0.000 2.148 55 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 55 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 55 G C 0.003 174.921 174.900 0.030 0.000 0.981 55 G CA 0.431 45.542 45.100 0.018 0.000 0.670 55 G HN 0.512 nan 8.290 nan 0.000 0.528 56 E N -0.151 120.065 120.200 0.026 0.000 2.244 56 E HA 0.444 4.794 4.350 -0.000 0.000 0.266 56 E C -0.029 176.639 176.600 0.115 0.000 0.914 56 E CA -0.292 56.123 56.400 0.025 0.000 0.794 56 E CB 1.052 30.693 29.700 -0.097 0.000 1.210 56 E HN 0.215 nan 8.360 nan 0.000 0.414 57 D N 0.344 120.835 120.400 0.152 0.000 2.368 57 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 57 D C 0.121 176.589 176.300 0.280 0.000 1.112 57 D CA 0.144 54.294 54.000 0.250 0.000 0.834 57 D CB 0.072 40.980 40.800 0.181 0.000 0.953 57 D HN 0.515 nan 8.370 nan 0.000 0.505 58 H N -2.177 116.814 119.070 -0.132 0.000 2.967 58 H HA 0.541 5.097 4.556 -0.000 0.000 0.318 58 H C -2.002 172.783 175.328 -0.903 0.000 1.375 58 H CA -1.218 54.475 56.048 -0.591 0.000 1.132 58 H CB 0.779 30.395 29.762 -0.245 0.000 1.848 58 H HN -0.000 nan 8.280 nan 0.000 0.524 59 L N 1.786 122.468 121.223 -0.902 0.000 2.404 59 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 59 L C -1.120 175.720 176.870 -0.050 0.000 0.980 59 L CA -0.604 53.961 54.840 -0.459 0.000 0.836 59 L CB 1.547 43.286 42.059 -0.533 0.000 1.238 59 L HN 0.519 nan 8.230 nan 0.000 0.408 60 V N 6.182 126.209 119.914 0.189 0.000 2.529 60 V HA 0.132 4.252 4.120 -0.000 0.000 0.292 60 V C 0.820 176.921 176.094 0.013 0.000 1.028 60 V CA 0.013 62.342 62.300 0.047 0.000 1.074 60 V CB 0.610 32.411 31.823 -0.038 0.000 0.958 60 V HN 0.671 nan 8.190 nan 0.000 0.481 61 L N 3.859 125.093 121.223 0.018 0.000 2.479 61 L HA 0.771 5.111 4.340 -0.000 0.000 0.249 61 L C 0.795 177.695 176.870 0.051 0.000 1.178 61 L CA 0.202 55.076 54.840 0.057 0.000 0.811 61 L CB 0.708 42.838 42.059 0.118 0.000 1.187 61 L HN 0.910 nan 8.230 nan 0.000 0.480 62 G N 0.319 109.178 108.800 0.098 0.000 3.355 62 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 62 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 62 G C -0.326 174.623 174.900 0.081 0.000 1.097 62 G CA -0.120 45.019 45.100 0.066 0.000 0.881 62 G HN 1.027 nan 8.290 nan 0.000 0.550 63 H N 0.089 119.247 119.070 0.146 0.000 3.233 63 H HA 0.272 4.828 4.556 -0.000 0.000 0.263 63 H C 0.114 175.628 175.328 0.311 0.000 1.168 63 H CA 0.418 56.612 56.048 0.243 0.000 1.159 63 H CB 1.005 30.858 29.762 0.151 0.000 1.593 63 H HN 0.559 nan 8.280 nan 0.000 0.580 64 E N 1.845 121.940 120.200 -0.176 0.000 2.267 64 E HA 0.617 4.967 4.350 -0.000 0.000 0.241 64 E C -0.826 175.808 176.600 0.057 0.000 0.950 64 E CA -0.568 55.816 56.400 -0.026 0.000 0.776 64 E CB 1.523 31.173 29.700 -0.083 0.000 1.207 64 E HN 0.423 nan 8.360 nan 0.000 0.436 65 A N 2.071 124.898 122.820 0.011 0.000 2.380 65 A HA 0.744 5.064 4.320 -0.000 0.000 0.315 65 A C -1.059 176.538 177.584 0.021 0.000 1.101 65 A CA -0.750 51.260 52.037 -0.044 0.000 0.771 65 A CB 2.019 20.796 19.000 -0.372 0.000 1.287 65 A HN 0.350 nan 8.150 nan 0.000 0.436 66 V N 0.708 120.675 119.914 0.089 0.000 2.760 66 V HA 0.887 5.007 4.120 -0.000 0.000 0.309 66 V C 0.063 176.223 176.094 0.109 0.000 1.077 66 V CA 0.665 63.020 62.300 0.091 0.000 0.910 66 V CB 1.867 33.736 31.823 0.077 0.000 1.008 66 V HN 1.741 nan 8.190 nan 0.000 0.424 67 G N 3.126 111.976 108.800 0.083 0.000 2.727 67 G HA2 0.649 4.609 3.960 -0.000 0.000 0.289 67 G HA3 0.649 4.609 3.960 -0.000 0.000 0.289 67 G C -1.726 173.154 174.900 -0.033 0.000 1.418 67 G CA -0.181 44.932 45.100 0.021 0.000 0.818 67 G HN 1.249 nan 8.290 nan 0.000 0.486 68 V N 0.193 120.063 119.914 -0.074 0.000 2.495 68 V HA 0.611 4.731 4.120 -0.000 0.000 0.298 68 V C -0.252 175.792 176.094 -0.084 0.000 1.031 68 V CA -0.670 61.594 62.300 -0.060 0.000 0.871 68 V CB 1.544 33.345 31.823 -0.036 0.000 0.988 68 V HN 0.624 nan 8.190 nan 0.000 0.432 69 V N 7.583 127.458 119.914 -0.066 0.000 2.521 69 V HA 0.100 4.220 4.120 -0.000 0.000 0.286 69 V C 1.130 177.205 176.094 -0.032 0.000 1.034 69 V CA 0.941 63.203 62.300 -0.065 0.000 1.045 69 V CB 1.150 32.944 31.823 -0.048 0.000 0.974 69 V HN 0.949 nan 8.190 nan 0.000 0.480 70 V N 0.464 120.368 119.914 -0.015 0.000 3.455 70 V HA 0.405 4.525 4.120 -0.000 0.000 0.250 70 V C 0.400 176.496 176.094 0.003 0.000 1.230 70 V CA 0.526 62.839 62.300 0.021 0.000 1.105 70 V CB 0.641 32.523 31.823 0.097 0.000 0.850 70 V HN 0.757 nan 8.190 nan 0.000 0.461 71 D N 1.358 121.750 120.400 -0.014 0.000 2.386 71 D HA 0.405 5.045 4.640 -0.000 0.000 0.247 71 D C -2.232 174.054 176.300 -0.023 0.000 1.336 71 D CA -1.817 52.171 54.000 -0.020 0.000 0.976 71 D CB 2.337 43.120 40.800 -0.029 0.000 1.257 71 D HN 0.106 nan 8.370 nan 0.000 0.570 72 P HA -0.040 nan 4.420 nan 0.000 0.233 72 P C 0.577 177.868 177.300 -0.016 0.000 1.167 72 P CA 0.279 63.367 63.100 -0.019 0.000 0.770 72 P CB 0.285 31.974 31.700 -0.018 0.000 0.837 73 N N 1.580 120.271 118.700 -0.015 0.000 1.188 73 N HA -0.223 4.517 4.740 -0.000 0.000 0.128 73 N C -0.020 175.484 175.510 -0.011 0.000 0.759 73 N CA 2.419 55.462 53.050 -0.012 0.000 0.905 73 N CB -1.721 36.760 38.487 -0.009 0.000 1.156 73 N HN 0.162 nan 8.380 nan 0.000 0.553 74 D N -0.385 120.010 120.400 -0.009 0.000 2.395 74 D HA 0.169 4.809 4.640 -0.000 0.000 0.226 74 D C 0.457 176.750 176.300 -0.012 0.000 1.146 74 D CA 0.518 54.513 54.000 -0.009 0.000 0.830 74 D CB -1.028 39.767 40.800 -0.007 0.000 0.958 74 D HN 0.696 nan 8.370 nan 0.000 0.501 75 T N -3.017 111.529 114.554 -0.014 0.000 2.862 75 T HA 0.315 4.665 4.350 -0.000 0.000 0.276 75 T C 0.803 175.493 174.700 -0.018 0.000 0.974 75 T CA -0.679 61.411 62.100 -0.018 0.000 0.966 75 T CB 1.636 70.492 68.868 -0.020 0.000 1.072 75 T HN -0.036 nan 8.240 nan 0.000 0.538 76 E N -0.146 120.041 120.200 -0.021 0.000 2.479 76 E HA 0.225 4.575 4.350 -0.000 0.000 0.193 76 E C 0.230 176.818 176.600 -0.020 0.000 1.049 76 E CA -0.208 56.181 56.400 -0.019 0.000 0.870 76 E CB -0.064 29.624 29.700 -0.020 0.000 0.944 76 E HN 0.483 nan 8.360 nan 0.000 0.492 77 L N 1.356 122.566 121.223 -0.021 0.000 2.476 77 L HA 0.124 4.464 4.340 -0.000 0.000 0.255 77 L C 0.542 177.400 176.870 -0.019 0.000 1.218 77 L CA 0.364 55.192 54.840 -0.021 0.000 0.819 77 L CB 0.399 42.444 42.059 -0.024 0.000 1.119 77 L HN 0.000 nan 8.230 nan 0.000 0.485 78 E N 0.100 120.289 120.200 -0.018 0.000 2.256 78 E HA 0.218 4.568 4.350 -0.000 0.000 0.267 78 E C -1.108 175.482 176.600 -0.016 0.000 0.892 78 E CA -0.816 55.574 56.400 -0.016 0.000 0.775 78 E CB 2.061 31.753 29.700 -0.013 0.000 1.207 78 E HN 0.423 nan 8.360 nan 0.000 0.420 79 E N 0.449 120.641 120.200 -0.014 0.000 2.558 79 E HA 0.031 4.381 4.350 -0.000 0.000 0.255 79 E C 0.706 177.300 176.600 -0.010 0.000 0.968 79 E CA 1.270 57.663 56.400 -0.011 0.000 0.939 79 E CB 0.085 29.781 29.700 -0.007 0.000 0.921 79 E HN 0.770 nan 8.360 nan 0.000 0.477 80 G N 3.890 112.683 108.800 -0.012 0.000 2.195 80 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 80 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 80 G C -0.219 174.672 174.900 -0.016 0.000 0.984 80 G CA 0.097 45.190 45.100 -0.011 0.000 0.633 80 G HN 0.654 nan 8.290 nan 0.000 0.525 81 D N 1.050 121.439 120.400 -0.020 0.000 2.455 81 D HA 0.354 4.994 4.640 -0.000 0.000 0.241 81 D C 0.975 177.260 176.300 -0.025 0.000 1.138 81 D CA 0.116 54.103 54.000 -0.021 0.000 0.877 81 D CB 0.596 41.383 40.800 -0.023 0.000 1.187 81 D HN 0.144 nan 8.370 nan 0.000 0.451 82 I N 2.851 123.407 120.570 -0.023 0.000 2.325 82 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 82 I C 0.386 176.492 176.117 -0.019 0.000 1.019 82 I CA -0.680 60.606 61.300 -0.023 0.000 1.302 82 I CB 0.467 38.450 38.000 -0.028 0.000 1.401 82 I HN 0.060 nan 8.210 nan 0.000 0.485 83 V N 5.079 124.988 119.914 -0.009 0.000 2.876 83 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 83 V C -0.564 175.551 176.094 0.035 0.000 1.085 83 V CA -0.776 61.527 62.300 0.005 0.000 0.945 83 V CB 2.209 34.031 31.823 -0.001 0.000 1.017 83 V HN 0.299 nan 8.190 nan 0.000 0.428 84 V N 4.553 124.491 119.914 0.040 0.000 2.448 84 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 84 V C -2.297 173.791 176.094 -0.009 0.000 1.025 84 V CA -1.577 60.760 62.300 0.061 0.000 0.859 84 V CB 2.067 33.992 31.823 0.170 0.000 0.988 84 V HN 0.936 nan 8.190 nan 0.000 0.431 85 P HA 0.266 nan 4.420 nan 0.000 0.282 85 P C -0.038 177.165 177.300 -0.161 0.000 1.249 85 P CA -0.096 62.921 63.100 -0.139 0.000 0.806 85 P CB 1.100 32.578 31.700 -0.370 0.000 0.984 86 T N -1.103 113.295 114.554 -0.259 0.000 2.726 86 T HA 0.158 4.508 4.350 -0.000 0.000 0.294 86 T C 1.284 176.063 174.700 0.133 0.000 1.013 86 T CA -0.438 61.515 62.100 -0.245 0.000 0.996 86 T CB -0.014 68.674 68.868 -0.301 0.000 1.016 86 T HN 0.113 nan 8.240 nan 0.000 0.529 87 V N -0.027 120.015 119.914 0.213 0.000 2.795 87 V HA 0.201 4.321 4.120 -0.000 0.000 0.243 87 V C 1.538 177.720 176.094 0.147 0.000 1.069 87 V CA 0.712 63.161 62.300 0.248 0.000 1.089 87 V CB -0.514 31.466 31.823 0.262 0.000 0.756 87 V HN 0.708 nan 8.190 nan 0.000 0.471 88 R N 1.102 121.648 120.500 0.076 0.000 2.357 88 R HA 0.535 4.875 4.340 -0.000 0.000 0.296 88 R C -0.408 175.969 176.300 0.128 0.000 1.052 88 R CA -0.376 55.792 56.100 0.114 0.000 0.988 88 R CB 0.913 31.215 30.300 0.003 0.000 1.025 88 R HN 0.197 nan 8.270 nan 0.000 0.469 89 R N 2.217 122.875 120.500 0.263 0.000 2.837 89 R HA 0.437 4.777 4.340 -0.000 0.000 0.271 89 R C -2.668 173.515 176.300 -0.194 0.000 0.993 89 R CA -2.641 53.516 56.100 0.095 0.000 0.931 89 R CB 1.375 31.745 30.300 0.116 0.000 1.206 89 R HN 0.414 nan 8.270 nan 0.000 0.474 90 P HA 0.097 nan 4.420 nan 0.000 0.269 90 P C -2.196 174.654 177.300 -0.751 0.000 1.209 90 P CA -0.860 61.594 63.100 -1.077 0.000 0.776 90 P CB -0.039 31.151 31.700 -0.850 0.000 0.876 91 P HA 0.074 nan 4.420 nan 0.000 0.297 91 P C 0.386 177.260 177.300 -0.710 0.000 1.303 91 P CA -0.174 62.109 63.100 -1.362 0.000 0.753 91 P CB 0.484 31.698 31.700 -0.809 0.000 1.281 92 A N 0.292 122.839 122.820 -0.455 0.000 1.972 92 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 92 A C 2.134 179.661 177.584 -0.095 0.000 1.169 92 A CA 2.249 54.240 52.037 -0.076 0.000 0.635 92 A CB -1.884 17.167 19.000 0.085 0.000 0.810 92 A HN 0.642 nan 8.150 nan 0.000 0.446 93 S N -1.506 114.115 115.700 -0.131 0.000 2.555 93 S HA 0.380 4.850 4.470 -0.000 0.000 0.230 93 S C 1.275 175.819 174.600 -0.094 0.000 0.978 93 S CA 0.949 59.096 58.200 -0.088 0.000 0.934 93 S CB -0.897 62.258 63.200 -0.075 0.000 0.766 93 S HN 2.038 nan 8.310 nan 0.000 0.533 94 G N 0.359 109.071 108.800 -0.146 0.000 2.545 94 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 94 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 94 G C -0.159 174.642 174.900 -0.165 0.000 1.314 94 G CA -0.349 44.668 45.100 -0.138 0.000 0.906 94 G HN 0.650 nan 8.290 nan 0.000 0.563 95 T N 0.581 115.070 114.554 -0.109 0.000 2.813 95 T HA 0.528 4.878 4.350 -0.000 0.000 0.297 95 T C 0.533 175.250 174.700 0.028 0.000 1.036 95 T CA 1.043 63.105 62.100 -0.064 0.000 1.044 95 T CB 0.144 69.015 68.868 0.005 0.000 0.993 95 T HN 1.648 nan 8.240 nan 0.000 0.535 96 N N -0.424 118.365 118.700 0.147 0.000 3.039 96 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 96 N C 0.569 176.162 175.510 0.138 0.000 1.497 96 N CA -0.365 52.777 53.050 0.153 0.000 0.861 96 N CB 0.425 39.041 38.487 0.214 0.000 1.479 96 N HN 0.634 nan 8.380 nan 0.000 0.547 97 E N -0.789 119.404 120.200 -0.011 0.000 2.160 97 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 97 E C 0.607 177.084 176.600 -0.206 0.000 0.991 97 E CA 1.388 57.686 56.400 -0.169 0.000 0.810 97 E CB -0.622 28.866 29.700 -0.355 0.000 0.742 97 E HN 0.626 nan 8.360 nan 0.000 0.466 98 Y N -0.154 120.177 120.300 0.051 0.000 2.220 98 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 98 Y C 2.002 177.801 175.900 -0.167 0.000 1.129 98 Y CA 1.111 59.162 58.100 -0.081 0.000 1.161 98 Y CB -0.318 38.058 38.460 -0.140 0.000 0.997 98 Y HN -0.011 nan 8.280 nan 0.000 0.522 99 F N 0.162 120.193 119.950 0.136 0.000 2.163 99 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 99 F C 2.239 178.094 175.800 0.092 0.000 1.094 99 F CA 1.061 59.129 58.000 0.114 0.000 1.290 99 F CB -0.268 38.809 39.000 0.129 0.000 1.017 99 F HN -0.030 nan 8.300 nan 0.000 0.483 100 E N 0.376 120.701 120.200 0.209 0.000 2.153 100 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 100 E C 1.812 178.450 176.600 0.064 0.000 0.988 100 E CA 0.975 57.444 56.400 0.114 0.000 0.811 100 E CB -0.340 29.399 29.700 0.066 0.000 0.746 100 E HN 0.437 nan 8.360 nan 0.000 0.466 101 R N 0.839 121.356 120.500 0.028 0.000 2.356 101 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 101 R C -0.331 175.982 176.300 0.022 0.000 0.929 101 R CA 0.042 56.146 56.100 0.007 0.000 1.084 101 R CB 0.297 30.576 30.300 -0.036 0.000 1.105 101 R HN -0.011 nan 8.270 nan 0.000 0.515 102 D N 1.497 121.921 120.400 0.040 0.000 2.870 102 D HA -0.180 4.460 4.640 -0.000 0.000 0.228 102 D C -0.337 175.916 176.300 -0.078 0.000 1.147 102 D CA 1.286 55.321 54.000 0.058 0.000 0.757 102 D CB -1.117 39.765 40.800 0.137 0.000 1.091 102 D HN 0.599 nan 8.370 nan 0.000 0.429 103 Q N -1.910 117.789 119.800 -0.169 0.000 2.563 103 Q HA 0.300 4.640 4.340 -0.000 0.000 0.367 103 Q C -2.351 173.471 176.000 -0.297 0.000 0.845 103 Q CA -1.046 54.645 55.803 -0.187 0.000 1.077 103 Q CB 1.230 29.974 28.738 0.010 0.000 1.409 103 Q HN -0.027 nan 8.270 nan 0.000 0.396 104 P HA -0.181 nan 4.420 nan 0.000 0.226 104 P C 0.538 177.498 177.300 -0.567 0.000 1.153 104 P CA 1.107 63.697 63.100 -0.850 0.000 0.777 104 P CB 0.153 30.964 31.700 -1.482 0.000 0.794 105 D N -0.903 119.257 120.400 -0.400 0.000 2.350 105 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 105 D C 1.221 177.365 176.300 -0.261 0.000 0.968 105 D CA 0.790 54.633 54.000 -0.262 0.000 0.894 105 D CB -0.279 40.488 40.800 -0.055 0.000 0.909 105 D HN 0.139 nan 8.370 nan 0.000 0.520 106 M N 0.532 119.991 119.600 -0.235 0.000 2.371 106 M HA 0.291 4.771 4.480 -0.000 0.000 0.246 106 M C 0.878 176.865 176.300 -0.522 0.000 1.103 106 M CA -0.493 54.676 55.300 -0.218 0.000 1.010 106 M CB -0.062 32.541 32.600 0.004 0.000 1.457 106 M HN -0.056 nan 8.290 nan 0.000 0.486 107 A N 3.659 126.086 122.820 -0.654 0.000 2.498 107 A HA 0.406 4.726 4.320 -0.000 0.000 0.239 107 A C -2.028 175.341 177.584 -0.357 0.000 1.068 107 A CA -0.648 50.870 52.037 -0.865 0.000 0.766 107 A CB -0.605 18.219 19.000 -0.293 0.000 1.003 107 A HN 0.136 nan 8.150 nan 0.000 0.497 108 P HA 0.201 nan 4.420 nan 0.000 0.279 108 P C -0.555 176.806 177.300 0.102 0.000 1.276 108 P CA -0.517 62.562 63.100 -0.036 0.000 0.801 108 P CB 0.395 32.054 31.700 -0.067 0.000 1.127 109 D N -0.932 119.507 120.400 0.066 0.000 2.571 109 D HA 0.191 4.831 4.640 -0.000 0.000 0.231 109 D C 1.511 177.714 176.300 -0.163 0.000 1.133 109 D CA 2.335 56.294 54.000 -0.068 0.000 0.862 109 D CB -0.393 40.386 40.800 -0.035 0.000 1.179 109 D HN 0.715 nan 8.370 nan 0.000 0.474 110 G N 3.456 112.063 108.800 -0.322 0.000 2.253 110 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.251 110 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.251 110 G C 0.844 175.618 174.900 -0.210 0.000 0.998 110 G CA 0.490 45.458 45.100 -0.221 0.000 0.621 110 G HN 0.492 nan 8.290 nan 0.000 0.524 111 M N 0.057 119.552 119.600 -0.175 0.000 2.475 111 M HA 0.417 4.897 4.480 -0.000 0.000 0.283 111 M C 0.185 176.581 176.300 0.160 0.000 1.165 111 M CA -0.056 55.245 55.300 0.003 0.000 0.976 111 M CB -0.852 31.814 32.600 0.110 0.000 1.428 111 M HN 0.631 nan 8.290 nan 0.000 0.495 112 Y N -3.144 117.159 120.300 0.005 0.000 2.656 112 Y HA 0.717 5.267 4.550 -0.000 0.000 0.334 112 Y C -1.523 174.394 175.900 0.028 0.000 1.179 112 Y CA -2.186 55.955 58.100 0.068 0.000 1.050 112 Y CB 0.596 39.165 38.460 0.182 0.000 1.308 112 Y HN -0.159 nan 8.280 nan 0.000 0.456 113 F N 0.883 120.961 119.950 0.213 0.000 2.470 113 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 113 F C -0.222 175.756 175.800 0.297 0.000 1.072 113 F CA -1.631 56.453 58.000 0.140 0.000 0.989 113 F CB 2.023 41.036 39.000 0.023 0.000 1.193 113 F HN 0.558 nan 8.300 nan 0.000 0.481 114 E N 1.464 121.908 120.200 0.406 0.000 2.155 114 E HA 0.313 4.663 4.350 -0.000 0.000 0.264 114 E C -0.632 176.018 176.600 0.084 0.000 0.886 114 E CA -0.837 55.701 56.400 0.230 0.000 0.752 114 E CB 1.416 31.231 29.700 0.191 0.000 1.133 114 E HN 0.366 nan 8.360 nan 0.000 0.414 115 R N 1.277 121.795 120.500 0.030 0.000 2.484 115 R HA 0.093 4.433 4.340 -0.000 0.000 0.293 115 R C 0.956 177.165 176.300 -0.152 0.000 1.023 115 R CA 1.035 57.043 56.100 -0.155 0.000 1.037 115 R CB 0.320 30.404 30.300 -0.359 0.000 0.951 115 R HN 0.960 nan 8.270 nan 0.000 0.418 116 G N 2.464 111.171 108.800 -0.156 0.000 2.179 116 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 116 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 116 G C 0.549 175.458 174.900 0.016 0.000 0.977 116 G CA 0.357 45.424 45.100 -0.054 0.000 0.641 116 G HN 0.628 nan 8.290 nan 0.000 0.533 117 I N -1.883 118.681 120.570 -0.009 0.000 3.814 117 I HA 0.432 4.602 4.170 -0.000 0.000 0.264 117 I C 0.255 176.379 176.117 0.012 0.000 1.145 117 I CA 0.349 61.655 61.300 0.011 0.000 1.375 117 I CB 1.293 39.284 38.000 -0.014 0.000 1.638 117 I HN 0.179 nan 8.210 nan 0.000 0.432 118 V N 1.154 121.070 119.914 0.005 0.000 2.567 118 V HA 0.640 4.760 4.120 -0.000 0.000 0.298 118 V C 0.351 176.359 176.094 -0.143 0.000 1.047 118 V CA 0.442 62.728 62.300 -0.024 0.000 0.880 118 V CB 0.918 32.761 31.823 0.034 0.000 1.009 118 V HN 0.667 nan 8.190 nan 0.000 0.429 119 G N 4.720 113.314 108.800 -0.344 0.000 2.199 119 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 119 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 119 G C 0.376 174.619 174.900 -1.095 0.000 0.982 119 G CA 0.173 44.738 45.100 -0.891 0.000 0.632 119 G HN 2.301 nan 8.290 nan 0.000 0.529 120 A N -0.137 122.320 122.820 -0.605 0.000 2.517 120 A HA 0.669 4.989 4.320 -0.000 0.000 0.297 120 A C -0.221 177.142 177.584 -0.368 0.000 1.050 120 A CA -0.579 51.176 52.037 -0.470 0.000 0.694 120 A CB 0.828 19.708 19.000 -0.201 0.000 1.277 120 A HN 0.474 nan 8.150 nan 0.000 0.400 121 H N 0.873 119.807 119.070 -0.226 0.000 2.948 121 H HA 0.270 4.826 4.556 -0.000 0.000 0.351 121 H C 1.240 176.391 175.328 -0.294 0.000 1.079 121 H CA 1.517 57.433 56.048 -0.221 0.000 1.407 121 H CB 0.859 30.527 29.762 -0.157 0.000 1.373 121 H HN 0.904 nan 8.280 nan 0.000 0.605 122 G N 0.774 109.472 108.800 -0.170 0.000 2.582 122 G HA2 0.100 4.060 3.960 -0.000 0.000 0.232 122 G HA3 0.100 4.060 3.960 -0.000 0.000 0.232 122 G C -0.312 174.263 174.900 -0.541 0.000 1.458 122 G CA -0.236 44.584 45.100 -0.468 0.000 1.062 122 G HN 0.602 nan 8.290 nan 0.000 0.566 123 Y N -0.936 119.249 120.300 -0.191 0.000 2.481 123 Y HA 0.369 4.919 4.550 -0.000 0.000 0.247 123 Y C 1.774 177.474 175.900 -0.335 0.000 1.151 123 Y CA -0.365 57.508 58.100 -0.378 0.000 1.238 123 Y CB 0.236 38.343 38.460 -0.587 0.000 1.179 123 Y HN 0.070 nan 8.280 nan 0.000 0.524 124 M N 2.008 121.534 119.600 -0.123 0.000 3.596 124 M HA 0.153 4.633 4.480 -0.000 0.000 0.212 124 M C -0.200 175.934 176.300 -0.276 0.000 1.519 124 M CA 0.155 55.345 55.300 -0.184 0.000 1.670 124 M CB -0.624 32.068 32.600 0.153 0.000 1.113 124 M HN 0.155 nan 8.290 nan 0.000 0.565 125 S N -1.791 113.573 115.700 -0.561 0.000 2.607 125 S HA 0.399 4.869 4.470 -0.000 0.000 0.273 125 S C 0.349 174.696 174.600 -0.422 0.000 1.148 125 S CA -1.079 56.958 58.200 -0.271 0.000 0.833 125 S CB 1.639 64.814 63.200 -0.041 0.000 1.130 125 S HN 0.507 nan 8.310 nan 0.000 0.470 126 E N -0.223 119.930 120.200 -0.078 0.000 2.204 126 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 126 E C -0.683 175.602 176.600 -0.525 0.000 0.990 126 E CA 1.262 57.566 56.400 -0.160 0.000 0.821 126 E CB -0.048 29.680 29.700 0.048 0.000 0.750 126 E HN 0.567 nan 8.360 nan 0.000 0.477 127 F N -0.714 119.238 119.950 0.003 0.000 2.599 127 F HA 0.421 4.948 4.527 -0.000 0.000 0.311 127 F C -0.472 175.396 175.800 0.113 0.000 1.076 127 F CA -1.466 56.526 58.000 -0.014 0.000 0.937 127 F CB 1.672 40.650 39.000 -0.037 0.000 1.282 127 F HN -0.197 nan 8.300 nan 0.000 0.460 128 F N -1.205 118.856 119.950 0.185 0.000 2.662 128 F HA 0.852 5.379 4.527 0.000 0.000 0.312 128 F C -0.805 175.089 175.800 0.157 0.000 1.113 128 F CA -1.123 56.978 58.000 0.167 0.000 0.951 128 F CB 1.265 40.395 39.000 0.217 0.000 1.344 128 F HN 0.480 nan 8.300 nan 0.000 0.462 129 T N -0.931 113.828 114.554 0.342 0.000 2.952 129 T HA 0.855 5.205 4.350 -0.000 0.000 0.286 129 T C -0.680 174.257 174.700 0.396 0.000 1.024 129 T CA -0.733 61.505 62.100 0.229 0.000 1.029 129 T CB 1.586 70.549 68.868 0.159 0.000 1.094 129 T HN 0.854 nan 8.240 nan 0.000 0.515 130 S N 1.417 117.281 115.700 0.272 0.000 2.552 130 S HA 0.540 5.010 4.470 -0.000 0.000 0.272 130 S C -3.022 171.695 174.600 0.196 0.000 1.150 130 S CA -0.943 57.440 58.200 0.303 0.000 0.849 130 S CB 1.785 65.219 63.200 0.391 0.000 1.113 130 S HN 0.633 nan 8.310 nan 0.000 0.458 131 P HA 0.045 nan 4.420 nan 0.000 0.265 131 P C 0.750 178.055 177.300 0.010 0.000 1.187 131 P CA 0.169 63.313 63.100 0.075 0.000 0.766 131 P CB 0.244 31.965 31.700 0.036 0.000 0.820 132 E N 4.817 124.995 120.200 -0.036 0.000 2.209 132 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 132 E C 1.207 177.740 176.600 -0.111 0.000 0.993 132 E CA 1.166 57.535 56.400 -0.052 0.000 0.819 132 E CB -0.476 29.196 29.700 -0.047 0.000 0.745 132 E HN 0.508 nan 8.360 nan 0.000 0.477 133 K N -0.010 120.252 120.400 -0.231 0.000 2.362 133 K HA -0.139 4.181 4.320 -0.000 0.000 0.200 133 K C 0.526 176.919 176.600 -0.344 0.000 1.046 133 K CA 1.052 57.140 56.287 -0.332 0.000 0.952 133 K CB -0.125 32.092 32.500 -0.472 0.000 0.753 133 K HN 0.216 nan 8.250 nan 0.000 0.466 134 Y N 1.201 121.498 120.300 -0.004 0.000 2.555 134 Y HA 0.384 4.934 4.550 0.000 0.000 0.259 134 Y C 0.053 175.895 175.900 -0.097 0.000 1.179 134 Y CA -0.865 57.204 58.100 -0.051 0.000 1.230 134 Y CB 0.346 38.845 38.460 0.065 0.000 1.146 134 Y HN -0.112 nan 8.280 nan 0.000 0.526 135 L N 0.887 122.121 121.223 0.018 0.000 2.287 135 L HA 0.519 4.859 4.340 -0.000 0.000 0.287 135 L C -0.661 176.172 176.870 -0.061 0.000 1.022 135 L CA -0.851 53.985 54.840 -0.008 0.000 0.814 135 L CB 1.658 43.729 42.059 0.020 0.000 1.217 135 L HN -0.269 nan 8.230 nan 0.000 0.420 136 V N 4.179 124.044 119.914 -0.081 0.000 2.347 136 V HA 0.355 4.475 4.120 -0.000 0.000 0.280 136 V C 0.384 176.468 176.094 -0.016 0.000 1.021 136 V CA -0.728 61.535 62.300 -0.061 0.000 0.847 136 V CB 1.242 33.026 31.823 -0.065 0.000 0.990 136 V HN 0.688 nan 8.190 nan 0.000 0.444 137 R N 4.634 125.122 120.500 -0.019 0.000 2.537 137 R HA 0.504 4.844 4.340 -0.000 0.000 0.280 137 R C -0.104 176.189 176.300 -0.011 0.000 1.058 137 R CA 0.077 56.168 56.100 -0.015 0.000 1.057 137 R CB 0.533 30.822 30.300 -0.019 0.000 0.973 137 R HN 0.831 nan 8.270 nan 0.000 0.438 138 I N -0.676 119.881 120.570 -0.022 0.000 3.002 138 I HA 0.602 4.772 4.170 -0.000 0.000 0.310 138 I C -2.513 173.572 176.117 -0.053 0.000 1.087 138 I CA -3.459 57.816 61.300 -0.042 0.000 1.017 138 I CB 2.138 40.097 38.000 -0.068 0.000 1.226 138 I HN 0.312 nan 8.210 nan 0.000 0.443 139 P HA 0.173 nan 4.420 nan 0.000 0.265 139 P C 0.043 177.304 177.300 -0.065 0.000 1.187 139 P CA -0.093 62.973 63.100 -0.057 0.000 0.766 139 P CB 0.519 32.186 31.700 -0.056 0.000 0.820 140 R N 1.520 121.995 120.500 -0.040 0.000 2.117 140 R HA -0.138 4.202 4.340 -0.000 0.000 0.243 140 R C 1.938 178.214 176.300 -0.039 0.000 1.143 140 R CA 2.070 58.150 56.100 -0.034 0.000 0.968 140 R CB -0.769 29.520 30.300 -0.018 0.000 0.863 140 R HN 0.605 nan 8.270 nan 0.000 0.444 141 S N 0.442 116.120 115.700 -0.036 0.000 2.555 141 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 141 S C 1.486 176.049 174.600 -0.062 0.000 0.978 141 S CA 0.594 58.780 58.200 -0.023 0.000 0.934 141 S CB 0.070 63.275 63.200 0.008 0.000 0.766 141 S HN 0.365 nan 8.310 nan 0.000 0.533 142 Q N 0.286 119.992 119.800 -0.157 0.000 2.320 142 Q HA 0.386 4.726 4.340 -0.000 0.000 0.201 142 Q C 2.058 177.921 176.000 -0.230 0.000 0.910 142 Q CA 0.328 55.926 55.803 -0.342 0.000 0.946 142 Q CB -0.104 28.297 28.738 -0.563 0.000 1.062 142 Q HN 0.739 nan 8.270 nan 0.000 0.503 143 A N 1.539 124.294 122.820 -0.108 0.000 1.877 143 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 143 A C 1.957 179.536 177.584 -0.009 0.000 1.186 143 A CA 1.618 53.626 52.037 -0.048 0.000 0.620 143 A CB -0.362 18.629 19.000 -0.016 0.000 0.822 143 A HN 0.456 nan 8.150 nan 0.000 0.443 144 E N -0.265 119.938 120.200 0.005 0.000 2.058 144 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 144 E C 0.882 177.532 176.600 0.083 0.000 0.997 144 E CA 1.221 57.659 56.400 0.064 0.000 0.801 144 E CB -0.143 29.594 29.700 0.061 0.000 0.746 144 E HN 0.588 nan 8.360 nan 0.000 0.450 145 L N 0.060 121.242 121.223 -0.067 0.000 3.017 145 L HA 0.304 4.644 4.340 -0.000 0.000 0.255 145 L C 1.647 178.188 176.870 -0.548 0.000 1.247 145 L CA -0.005 54.628 54.840 -0.345 0.000 1.038 145 L CB 0.838 42.852 42.059 -0.075 0.000 1.380 145 L HN 0.167 nan 8.230 nan 0.000 0.548 146 G N 0.718 109.340 108.800 -0.296 0.000 2.509 146 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 146 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 146 G C 1.271 176.086 174.900 -0.141 0.000 1.124 146 G CA 0.257 45.220 45.100 -0.228 0.000 0.776 146 G HN 0.546 nan 8.290 nan 0.000 0.547 147 F N -0.017 119.930 119.950 -0.004 0.000 2.583 147 F HA 0.223 4.750 4.527 -0.000 0.000 0.297 147 F C 1.739 177.545 175.800 0.010 0.000 1.131 147 F CA 0.253 58.254 58.000 0.001 0.000 1.467 147 F CB -0.288 38.713 39.000 0.002 0.000 1.097 147 F HN 0.050 nan 8.300 nan 0.000 0.586 148 L N -0.035 120.955 121.223 -0.389 0.000 2.509 148 L HA 0.003 4.343 4.340 -0.000 0.000 0.222 148 L C 2.233 179.064 176.870 -0.066 0.000 1.123 148 L CA -0.163 54.575 54.840 -0.169 0.000 0.856 148 L CB -0.354 41.606 42.059 -0.164 0.000 0.985 148 L HN 0.165 nan 8.230 nan 0.000 0.456 149 I N 0.163 120.675 120.570 -0.097 0.000 2.226 149 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 149 I C 2.629 178.609 176.117 -0.228 0.000 1.100 149 I CA 1.379 62.616 61.300 -0.106 0.000 1.374 149 I CB -0.880 37.084 38.000 -0.060 0.000 1.057 149 I HN 0.368 nan 8.210 nan 0.000 0.413 150 E N 1.296 121.397 120.200 -0.164 0.000 2.031 150 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 150 E C -0.457 176.038 176.600 -0.175 0.000 0.994 150 E CA 1.623 57.857 56.400 -0.278 0.000 0.800 150 E CB -1.050 28.698 29.700 0.081 0.000 0.752 150 E HN 0.241 nan 8.360 nan 0.000 0.447 151 P HA -0.113 nan 4.420 nan 0.000 0.215 151 P C 1.745 179.033 177.300 -0.020 0.000 1.153 151 P CA 1.190 64.304 63.100 0.023 0.000 0.853 151 P CB -0.227 31.519 31.700 0.076 0.000 0.788 152 I N 0.128 120.671 120.570 -0.045 0.000 2.208 152 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 152 I C 2.553 178.622 176.117 -0.081 0.000 1.097 152 I CA 2.103 63.379 61.300 -0.039 0.000 1.363 152 I CB -0.899 37.098 38.000 -0.004 0.000 1.051 152 I HN 0.080 nan 8.210 nan 0.000 0.413 153 S N 1.221 116.797 115.700 -0.206 0.000 2.382 153 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 153 S C 2.060 176.573 174.600 -0.146 0.000 1.027 153 S CA 0.822 58.874 58.200 -0.246 0.000 0.991 153 S CB -0.525 62.218 63.200 -0.762 0.000 0.823 153 S HN 0.275 nan 8.310 nan 0.000 0.469 154 I N 2.549 123.052 120.570 -0.112 0.000 2.163 154 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 154 I C 2.661 178.782 176.117 0.006 0.000 1.085 154 I CA 1.775 63.052 61.300 -0.039 0.000 1.347 154 I CB -2.110 35.906 38.000 0.026 0.000 1.044 154 I HN 0.378 nan 8.210 nan 0.000 0.408 155 T N 0.633 115.221 114.554 0.057 0.000 2.821 155 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 155 T C 1.771 176.499 174.700 0.046 0.000 1.046 155 T CA 0.948 63.123 62.100 0.125 0.000 1.139 155 T CB -0.076 68.803 68.868 0.019 0.000 0.871 155 T HN 0.307 nan 8.240 nan 0.000 0.454 156 E N 1.289 121.487 120.200 -0.004 0.000 2.085 156 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 156 E C 2.179 178.743 176.600 -0.059 0.000 0.994 156 E CA 1.054 57.463 56.400 0.016 0.000 0.801 156 E CB -0.226 29.531 29.700 0.096 0.000 0.743 156 E HN 0.497 nan 8.360 nan 0.000 0.453 157 K N 0.749 120.961 120.400 -0.313 0.000 2.025 157 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 157 K C 2.163 178.709 176.600 -0.090 0.000 1.049 157 K CA 1.205 57.175 56.287 -0.529 0.000 0.933 157 K CB -0.090 31.952 32.500 -0.763 0.000 0.714 157 K HN 0.046 nan 8.250 nan 0.000 0.438 158 A N 1.526 124.311 122.820 -0.060 0.000 1.902 158 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 158 A C 2.146 179.741 177.584 0.018 0.000 1.181 158 A CA 1.358 53.396 52.037 0.002 0.000 0.623 158 A CB -0.628 18.392 19.000 0.034 0.000 0.818 158 A HN 0.335 nan 8.150 nan 0.000 0.443 159 L N -0.949 120.234 121.223 -0.066 0.000 2.056 159 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 159 L C 2.649 179.227 176.870 -0.487 0.000 1.078 159 L CA 1.751 56.295 54.840 -0.493 0.000 0.749 159 L CB -0.626 41.097 42.059 -0.559 0.000 0.901 159 L HN 0.583 nan 8.230 nan 0.000 0.433 160 E N -0.221 119.901 120.200 -0.130 0.000 2.070 160 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 160 E C 2.168 178.764 176.600 -0.006 0.000 1.004 160 E CA 1.492 57.890 56.400 -0.004 0.000 0.805 160 E CB -0.006 29.764 29.700 0.117 0.000 0.744 160 E HN 0.576 nan 8.360 nan 0.000 0.451 161 H N -0.896 118.161 119.070 -0.021 0.000 2.363 161 H HA -0.011 4.545 4.556 -0.000 0.000 0.301 161 H C 2.085 177.427 175.328 0.023 0.000 1.074 161 H CA 0.943 56.998 56.048 0.011 0.000 1.354 161 H CB 0.040 29.802 29.762 0.001 0.000 1.397 161 H HN 0.285 nan 8.280 nan 0.000 0.516 162 A N 1.262 124.161 122.820 0.131 0.000 1.902 162 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 162 A C 1.937 179.631 177.584 0.183 0.000 1.181 162 A CA 1.350 53.479 52.037 0.154 0.000 0.623 162 A CB -0.806 18.352 19.000 0.263 0.000 0.818 162 A HN 0.313 nan 8.150 nan 0.000 0.443 163 Y N -0.253 120.062 120.300 0.025 0.000 2.293 163 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 163 Y C 2.911 178.787 175.900 -0.040 0.000 1.137 163 Y CA 0.010 58.109 58.100 -0.001 0.000 1.202 163 Y CB -1.314 37.185 38.460 0.064 0.000 0.990 163 Y HN 0.345 nan 8.280 nan 0.000 0.537 164 A N 0.146 123.041 122.820 0.125 0.000 1.933 164 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 164 A C 2.510 180.108 177.584 0.023 0.000 1.175 164 A CA 2.104 54.166 52.037 0.042 0.000 0.628 164 A CB -1.057 17.932 19.000 -0.019 0.000 0.814 164 A HN 0.476 nan 8.150 nan 0.000 0.444 165 S N -0.691 115.026 115.700 0.028 0.000 2.442 165 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 165 S C 1.552 176.145 174.600 -0.011 0.000 1.007 165 S CA 1.080 59.289 58.200 0.015 0.000 0.965 165 S CB -0.264 62.949 63.200 0.023 0.000 0.773 165 S HN 0.503 nan 8.310 nan 0.000 0.504 166 R N 1.379 121.807 120.500 -0.119 0.000 2.393 166 R HA 0.269 4.609 4.340 -0.000 0.000 0.244 166 R C 1.889 178.015 176.300 -0.289 0.000 0.920 166 R CA 0.758 56.697 56.100 -0.269 0.000 1.076 166 R CB -0.646 29.142 30.300 -0.854 0.000 1.119 166 R HN 0.722 nan 8.270 nan 0.000 0.524 167 S N -0.390 115.253 115.700 -0.094 0.000 2.561 167 S HA 0.073 4.543 4.470 -0.000 0.000 0.225 167 S C 1.754 176.344 174.600 -0.016 0.000 0.977 167 S CA 0.516 58.676 58.200 -0.067 0.000 0.926 167 S CB 0.230 63.422 63.200 -0.014 0.000 0.769 167 S HN 0.218 nan 8.310 nan 0.000 0.533 168 A N 0.682 123.546 122.820 0.074 0.000 2.208 168 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 168 A C 0.544 178.273 177.584 0.241 0.000 1.161 168 A CA -0.049 52.074 52.037 0.143 0.000 0.782 168 A CB -0.499 18.593 19.000 0.154 0.000 0.816 168 A HN 0.778 nan 8.150 nan 0.000 0.477 169 F N -2.714 117.256 119.950 0.033 0.000 2.706 169 F HA 0.639 5.166 4.527 0.000 0.000 0.328 169 F C -1.462 174.390 175.800 0.087 0.000 1.123 169 F CA -2.166 55.865 58.000 0.052 0.000 0.978 169 F CB 0.562 39.593 39.000 0.051 0.000 1.404 169 F HN -0.194 nan 8.300 nan 0.000 0.497 170 D N 1.650 122.100 120.400 0.083 0.000 2.422 170 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 170 D C -1.599 174.679 176.300 -0.036 0.000 1.190 170 D CA 0.461 54.449 54.000 -0.021 0.000 0.905 170 D CB 0.409 41.241 40.800 0.053 0.000 1.034 170 D HN 0.571 nan 8.370 nan 0.000 0.507 171 W N 2.589 123.570 121.300 -0.532 0.000 2.349 171 W HA 0.277 4.937 4.660 -0.000 0.000 0.309 171 W C -0.696 175.668 176.519 -0.258 0.000 1.083 171 W CA -0.927 56.150 57.345 -0.446 0.000 1.224 171 W CB 0.999 30.018 29.460 -0.736 0.000 1.256 171 W HN 0.070 nan 8.180 nan 0.000 0.461 172 D N 8.250 128.387 120.400 -0.440 0.000 2.363 172 D HA 0.309 4.949 4.640 -0.000 0.000 0.258 172 D C -2.481 173.444 176.300 -0.625 0.000 1.259 172 D CA -1.697 51.997 54.000 -0.510 0.000 0.921 172 D CB 1.073 41.714 40.800 -0.265 0.000 1.201 172 D HN 0.076 nan 8.370 nan 0.000 0.524 173 P HA 0.292 nan 4.420 nan 0.000 0.277 173 P C -0.002 177.070 177.300 -0.380 0.000 1.240 173 P CA -0.423 62.244 63.100 -0.720 0.000 0.798 173 P CB 1.923 33.030 31.700 -0.989 0.000 0.979 174 S N -0.743 114.907 115.700 -0.084 0.000 2.619 174 S HA 0.089 4.559 4.470 -0.000 0.000 0.238 174 S C 0.688 175.434 174.600 0.242 0.000 1.068 174 S CA -0.084 58.140 58.200 0.040 0.000 0.926 174 S CB 0.076 63.285 63.200 0.014 0.000 0.864 174 S HN 0.712 nan 8.310 nan 0.000 0.493 175 S N 1.146 117.019 115.700 0.288 0.000 2.503 175 S HA 0.902 5.372 4.470 -0.000 0.000 0.301 175 S C -0.614 174.168 174.600 0.303 0.000 1.087 175 S CA -0.739 57.642 58.200 0.303 0.000 1.042 175 S CB 1.992 65.330 63.200 0.230 0.000 1.043 175 S HN 0.377 nan 8.310 nan 0.000 0.489 176 A N 2.022 124.952 122.820 0.182 0.000 2.475 176 A HA 0.822 5.142 4.320 -0.000 0.000 0.301 176 A C -1.632 176.102 177.584 0.250 0.000 1.059 176 A CA -0.614 51.473 52.037 0.083 0.000 0.710 176 A CB 1.399 20.122 19.000 -0.462 0.000 1.288 176 A HN 1.019 nan 8.150 nan 0.000 0.408 177 F N 2.634 122.593 119.950 0.016 0.000 2.579 177 F HA 0.558 5.085 4.527 -0.000 0.000 0.325 177 F C -1.239 174.545 175.800 -0.028 0.000 1.162 177 F CA -1.339 56.673 58.000 0.021 0.000 0.946 177 F CB 1.666 40.643 39.000 -0.038 0.000 1.211 177 F HN 0.343 nan 8.300 nan 0.000 0.447 178 V N 7.083 127.060 119.914 0.105 0.000 2.407 178 V HA 0.350 4.470 4.120 -0.000 0.000 0.278 178 V C 0.037 175.987 176.094 -0.239 0.000 1.037 178 V CA -0.650 61.621 62.300 -0.048 0.000 0.900 178 V CB 1.484 33.312 31.823 0.007 0.000 0.983 178 V HN 0.556 nan 8.190 nan 0.000 0.459 179 L N 5.183 126.219 121.223 -0.312 0.000 2.257 179 L HA 0.819 5.159 4.340 -0.000 0.000 0.290 179 L C 0.658 177.479 176.870 -0.082 0.000 1.044 179 L CA -0.092 54.528 54.840 -0.366 0.000 0.810 179 L CB 0.821 42.590 42.059 -0.483 0.000 1.193 179 L HN 0.918 nan 8.230 nan 0.000 0.425 180 G N 2.734 111.521 108.800 -0.022 0.000 2.885 180 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.685 180 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.685 180 G C -0.454 174.494 174.900 0.081 0.000 1.216 180 G CA -0.557 44.580 45.100 0.061 0.000 0.790 180 G HN 0.786 nan 8.290 nan 0.000 0.631 181 N N 0.742 119.496 118.700 0.089 0.000 2.338 181 N HA 0.352 5.092 4.740 -0.000 0.000 0.251 181 N C 0.890 176.445 175.510 0.075 0.000 1.199 181 N CA 0.456 53.559 53.050 0.088 0.000 0.879 181 N CB 0.759 39.300 38.487 0.090 0.000 1.159 181 N HN 1.030 nan 8.380 nan 0.000 0.514 182 G N 0.445 109.294 108.800 0.082 0.000 2.563 182 G HA2 0.261 4.221 3.960 -0.000 0.000 0.283 182 G HA3 0.261 4.221 3.960 -0.000 0.000 0.283 182 G C 0.954 175.908 174.900 0.089 0.000 1.309 182 G CA 0.076 45.224 45.100 0.081 0.000 1.022 182 G HN 0.222 nan 8.290 nan 0.000 0.501 183 S N -0.753 115.003 115.700 0.094 0.000 2.382 183 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 183 S C 2.281 176.945 174.600 0.106 0.000 1.027 183 S CA 1.398 59.654 58.200 0.094 0.000 0.991 183 S CB -0.359 62.901 63.200 0.099 0.000 0.823 183 S HN 0.403 nan 8.310 nan 0.000 0.469 184 L N 2.632 123.926 121.223 0.118 0.000 2.027 184 L HA 0.211 4.551 4.340 -0.000 0.000 0.206 184 L C 2.511 179.433 176.870 0.087 0.000 1.074 184 L CA 2.000 56.913 54.840 0.121 0.000 0.745 184 L CB -1.409 40.748 42.059 0.164 0.000 0.898 184 L HN 0.377 nan 8.230 nan 0.000 0.433 185 G N -0.546 108.316 108.800 0.102 0.000 2.418 185 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 185 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 185 G C 1.579 176.500 174.900 0.035 0.000 1.158 185 G CA 1.110 46.248 45.100 0.063 0.000 0.771 185 G HN 0.431 nan 8.290 nan 0.000 0.545 186 L N -0.538 120.739 121.223 0.091 0.000 2.072 186 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 186 L C 2.667 179.655 176.870 0.196 0.000 1.079 186 L CA 0.198 55.129 54.840 0.153 0.000 0.752 186 L CB -0.429 41.747 42.059 0.195 0.000 0.906 186 L HN 0.174 nan 8.230 nan 0.000 0.436 187 L N -0.198 121.143 121.223 0.197 0.000 2.042 187 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 187 L C 2.498 179.333 176.870 -0.058 0.000 1.076 187 L CA 2.085 57.029 54.840 0.172 0.000 0.749 187 L CB -0.749 41.381 42.059 0.118 0.000 0.893 187 L HN 0.166 nan 8.230 nan 0.000 0.432 188 T N -0.451 114.025 114.554 -0.131 0.000 2.746 188 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 188 T C 1.798 176.356 174.700 -0.238 0.000 1.039 188 T CA 1.592 63.515 62.100 -0.295 0.000 1.142 188 T CB -0.400 68.071 68.868 -0.662 0.000 0.866 188 T HN 0.273 nan 8.240 nan 0.000 0.444 189 L N 1.402 122.522 121.223 -0.171 0.000 2.012 189 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 189 L C 2.603 179.342 176.870 -0.217 0.000 1.073 189 L CA 1.945 56.702 54.840 -0.139 0.000 0.748 189 L CB -0.961 41.064 42.059 -0.057 0.000 0.891 189 L HN 0.228 nan 8.230 nan 0.000 0.431 190 A N -0.860 121.721 122.820 -0.398 0.000 1.933 190 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 190 A C 2.255 179.622 177.584 -0.361 0.000 1.175 190 A CA 2.032 53.704 52.037 -0.607 0.000 0.628 190 A CB -0.556 17.570 19.000 -1.456 0.000 0.814 190 A HN 0.543 nan 8.150 nan 0.000 0.444 191 M N -0.603 118.841 119.600 -0.261 0.000 2.117 191 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 191 M C 2.032 178.300 176.300 -0.055 0.000 1.065 191 M CA 1.387 56.605 55.300 -0.138 0.000 1.114 191 M CB -0.535 32.004 32.600 -0.101 0.000 1.361 191 M HN 0.350 nan 8.290 nan 0.000 0.408 192 L N -0.092 121.100 121.223 -0.053 0.000 2.141 192 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 192 L C 2.557 179.479 176.870 0.088 0.000 1.094 192 L CA 1.142 56.005 54.840 0.038 0.000 0.763 192 L CB -0.643 41.362 42.059 -0.090 0.000 0.908 192 L HN 0.311 nan 8.230 nan 0.000 0.437 193 K N 0.425 120.814 120.400 -0.018 0.000 2.097 193 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 193 K C 1.653 178.264 176.600 0.017 0.000 1.049 193 K CA 1.722 58.007 56.287 -0.003 0.000 0.933 193 K CB 0.117 32.573 32.500 -0.074 0.000 0.717 193 K HN 0.350 nan 8.250 nan 0.000 0.442 194 V N -1.560 118.348 119.914 -0.011 0.000 3.621 194 V HA 0.105 4.225 4.120 -0.000 0.000 0.285 194 V C 0.325 176.431 176.094 0.020 0.000 1.346 194 V CA -0.417 61.877 62.300 -0.010 0.000 1.104 194 V CB -0.214 31.579 31.823 -0.049 0.000 0.913 194 V HN 0.113 nan 8.190 nan 0.000 0.432 195 D N 1.843 122.289 120.400 0.076 0.000 2.455 195 D HA -0.052 4.588 4.640 -0.000 0.000 0.241 195 D C 0.597 176.901 176.300 0.007 0.000 1.138 195 D CA 0.439 54.498 54.000 0.098 0.000 0.877 195 D CB 1.386 42.343 40.800 0.261 0.000 1.187 195 D HN 0.273 nan 8.370 nan 0.000 0.451 196 D N 2.884 123.277 120.400 -0.012 0.000 2.311 196 D HA -0.143 4.497 4.640 -0.000 0.000 0.212 196 D C 1.528 177.722 176.300 -0.178 0.000 0.972 196 D CA 0.695 54.653 54.000 -0.070 0.000 0.887 196 D CB 0.271 41.046 40.800 -0.041 0.000 0.915 196 D HN 0.401 nan 8.370 nan 0.000 0.497 197 K N 0.050 120.275 120.400 -0.292 0.000 2.280 197 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 197 K C 1.216 177.471 176.600 -0.575 0.000 1.047 197 K CA 0.776 56.723 56.287 -0.567 0.000 0.942 197 K CB -0.246 31.661 32.500 -0.989 0.000 0.739 197 K HN 0.217 nan 8.250 nan 0.000 0.457 198 G N 1.946 110.510 108.800 -0.394 0.000 2.324 198 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 198 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 198 G C -0.485 174.259 174.900 -0.260 0.000 1.079 198 G CA -0.149 44.800 45.100 -0.252 0.000 1.026 198 G HN 0.181 nan 8.290 nan 0.000 0.506 199 Y N -0.300 119.950 120.300 -0.083 0.000 2.597 199 Y HA 0.306 4.856 4.550 -0.000 0.000 0.336 199 Y C 1.684 177.563 175.900 -0.036 0.000 1.216 199 Y CA 0.606 58.675 58.100 -0.051 0.000 1.463 199 Y CB 0.623 39.084 38.460 0.001 0.000 1.303 199 Y HN 0.434 nan 8.280 nan 0.000 0.576 200 E N 1.060 121.346 120.200 0.143 0.000 2.244 200 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 200 E C -0.481 176.152 176.600 0.054 0.000 0.939 200 E CA 0.285 56.725 56.400 0.066 0.000 0.884 200 E CB 0.277 29.999 29.700 0.037 0.000 0.850 200 E HN 0.649 nan 8.360 nan 0.000 0.481 201 N N 0.828 119.581 118.700 0.089 0.000 2.448 201 N HA 0.355 5.095 4.740 -0.000 0.000 0.279 201 N C -1.410 174.089 175.510 -0.018 0.000 1.025 201 N CA -0.230 52.825 53.050 0.008 0.000 0.898 201 N CB 2.000 40.565 38.487 0.130 0.000 1.303 201 N HN -0.113 nan 8.380 nan 0.000 0.495 202 L N 2.245 123.315 121.223 -0.255 0.000 2.334 202 L HA 0.626 4.966 4.340 -0.000 0.000 0.273 202 L C -1.135 175.436 176.870 -0.497 0.000 1.013 202 L CA -0.884 53.841 54.840 -0.192 0.000 0.816 202 L CB 0.984 42.980 42.059 -0.105 0.000 1.278 202 L HN 0.472 nan 8.230 nan 0.000 0.431 203 Y N 0.639 120.930 120.300 -0.016 0.000 2.534 203 Y HA 0.536 5.086 4.550 0.000 0.000 0.345 203 Y C -0.515 175.513 175.900 0.213 0.000 1.031 203 Y CA -0.710 57.367 58.100 -0.039 0.000 1.022 203 Y CB 2.212 40.461 38.460 -0.351 0.000 1.292 203 Y HN 0.524 nan 8.280 nan 0.000 0.459 204 C N 4.141 123.654 119.300 0.356 0.000 2.551 204 C HA 0.704 5.164 4.460 -0.000 0.000 0.332 204 C C -1.379 173.819 174.990 0.347 0.000 1.139 204 C CA -0.791 58.424 59.018 0.328 0.000 1.328 204 C CB 0.018 27.881 27.740 0.206 0.000 1.903 204 C HN 0.847 nan 8.230 nan 0.000 0.459 205 L N 6.018 127.386 121.223 0.241 0.000 2.292 205 L HA 0.853 5.193 4.340 -0.000 0.000 0.284 205 L C 0.490 177.453 176.870 0.155 0.000 1.065 205 L CA 1.177 56.107 54.840 0.150 0.000 0.806 205 L CB 1.173 43.175 42.059 -0.094 0.000 1.175 205 L HN 0.960 nan 8.230 nan 0.000 0.431 206 G N 3.670 112.612 108.800 0.237 0.000 2.870 206 G HA2 0.581 4.541 3.960 -0.000 0.000 0.299 206 G HA3 0.581 4.541 3.960 -0.000 0.000 0.299 206 G C -1.105 173.932 174.900 0.230 0.000 1.324 206 G CA -0.647 44.624 45.100 0.284 0.000 0.808 206 G HN 0.667 nan 8.290 nan 0.000 0.535 207 R N -0.124 120.501 120.500 0.208 0.000 2.579 207 R HA 0.379 4.719 4.340 -0.000 0.000 0.386 207 R C -0.554 175.832 176.300 0.143 0.000 1.065 207 R CA -0.749 55.437 56.100 0.142 0.000 1.143 207 R CB 0.535 30.857 30.300 0.037 0.000 1.357 207 R HN 0.195 nan 8.270 nan 0.000 0.644 208 R N 0.918 121.548 120.500 0.216 0.000 2.540 208 R HA 0.350 4.690 4.340 -0.000 0.000 0.287 208 R C -0.642 175.733 176.300 0.125 0.000 0.980 208 R CA -0.717 55.446 56.100 0.104 0.000 0.966 208 R CB 1.159 31.455 30.300 -0.007 0.000 1.106 208 R HN 0.229 nan 8.270 nan 0.000 0.480 209 D N 2.038 122.476 120.400 0.064 0.000 2.264 209 D HA 0.210 4.850 4.640 -0.000 0.000 0.249 209 D C 0.308 176.616 176.300 0.014 0.000 1.070 209 D CA -0.372 53.662 54.000 0.057 0.000 0.912 209 D CB 1.337 42.162 40.800 0.041 0.000 1.193 209 D HN 0.068 nan 8.370 nan 0.000 0.427 210 R N 1.545 122.057 120.500 0.019 0.000 2.594 210 R HA 0.276 4.616 4.340 -0.000 0.000 0.272 210 R C -1.714 174.585 176.300 -0.001 0.000 1.074 210 R CA -0.952 55.144 56.100 -0.006 0.000 1.105 210 R CB -0.048 30.257 30.300 0.008 0.000 1.008 210 R HN 0.302 nan 8.270 nan 0.000 0.472 211 P HA 0.178 nan 4.420 nan 0.000 0.284 211 P C -1.276 176.003 177.300 -0.034 0.000 1.253 211 P CA -0.207 62.879 63.100 -0.024 0.000 0.800 211 P CB 1.181 32.871 31.700 -0.017 0.000 0.961 212 D N 2.750 123.116 120.400 -0.056 0.000 2.977 212 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 212 D C -2.217 174.043 176.300 -0.066 0.000 1.267 212 D CA -1.661 52.300 54.000 -0.066 0.000 0.884 212 D CB 2.990 43.729 40.800 -0.101 0.000 1.667 212 D HN 0.060 nan 8.370 nan 0.000 0.536 213 P HA -0.047 nan 4.420 nan 0.000 0.231 213 P C 1.330 178.623 177.300 -0.011 0.000 1.168 213 P CA 0.780 63.869 63.100 -0.018 0.000 0.779 213 P CB 0.164 31.861 31.700 -0.005 0.000 0.844 214 T N -2.307 112.226 114.554 -0.035 0.000 2.857 214 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 214 T C 2.016 176.672 174.700 -0.073 0.000 1.048 214 T CA 0.597 62.682 62.100 -0.025 0.000 1.139 214 T CB -1.195 67.661 68.868 -0.019 0.000 0.874 214 T HN -0.018 nan 8.240 nan 0.000 0.455 215 I N 1.906 122.354 120.570 -0.203 0.000 2.208 215 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 215 I C 2.371 178.421 176.117 -0.112 0.000 1.097 215 I CA 1.624 62.738 61.300 -0.311 0.000 1.363 215 I CB -0.492 37.219 38.000 -0.481 0.000 1.051 215 I HN 0.198 nan 8.210 nan 0.000 0.413 216 D N 1.026 121.389 120.400 -0.062 0.000 2.117 216 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 216 D C 2.250 178.586 176.300 0.059 0.000 0.987 216 D CA 1.313 55.303 54.000 -0.017 0.000 0.829 216 D CB -0.174 40.619 40.800 -0.013 0.000 0.961 216 D HN 0.339 nan 8.370 nan 0.000 0.460 217 I N 0.552 121.205 120.570 0.140 0.000 2.179 217 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 217 I C 2.338 178.639 176.117 0.308 0.000 1.088 217 I CA 0.630 62.134 61.300 0.340 0.000 1.357 217 I CB -0.077 38.105 38.000 0.302 0.000 1.051 217 I HN -0.050 nan 8.210 nan 0.000 0.409 218 I N 0.605 121.275 120.570 0.167 0.000 2.151 218 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 218 I C 2.425 178.603 176.117 0.102 0.000 1.080 218 I CA 1.707 63.087 61.300 0.133 0.000 1.339 218 I CB -0.396 37.670 38.000 0.109 0.000 1.039 218 I HN 0.254 nan 8.210 nan 0.000 0.409 219 E N 0.068 120.305 120.200 0.062 0.000 2.152 219 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 219 E C 1.984 178.577 176.600 -0.012 0.000 0.983 219 E CA 0.920 57.332 56.400 0.019 0.000 0.818 219 E CB -0.033 29.667 29.700 0.001 0.000 0.758 219 E HN 0.346 nan 8.360 nan 0.000 0.467 220 E N 0.991 121.174 120.200 -0.028 0.000 2.204 220 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 220 E C 1.568 178.169 176.600 0.002 0.000 0.989 220 E CA 0.547 56.819 56.400 -0.213 0.000 0.824 220 E CB -0.015 29.301 29.700 -0.640 0.000 0.756 220 E HN 0.181 nan 8.360 nan 0.000 0.477 221 L N 0.243 121.624 121.223 0.264 0.000 2.610 221 L HA 0.018 4.358 4.340 -0.000 0.000 0.232 221 L C 0.479 177.397 176.870 0.080 0.000 1.149 221 L CA 0.520 55.511 54.840 0.253 0.000 0.872 221 L CB -0.207 41.959 42.059 0.178 0.000 0.992 221 L HN 0.155 nan 8.230 nan 0.000 0.447 222 D N -0.584 119.831 120.400 0.025 0.000 3.012 222 D HA -0.179 4.461 4.640 -0.000 0.000 0.222 222 D C 0.295 176.553 176.300 -0.070 0.000 1.167 222 D CA 0.830 54.813 54.000 -0.027 0.000 0.854 222 D CB -0.409 40.376 40.800 -0.025 0.000 1.107 222 D HN 0.398 nan 8.370 nan 0.000 0.421 223 A N -0.890 121.895 122.820 -0.059 0.000 2.269 223 A HA 0.704 5.024 4.320 -0.000 0.000 0.319 223 A C 0.476 177.980 177.584 -0.133 0.000 1.110 223 A CA -0.073 51.884 52.037 -0.133 0.000 0.847 223 A CB 1.094 20.055 19.000 -0.065 0.000 1.161 223 A HN 0.156 nan 8.150 nan 0.000 0.497 224 T N 1.459 115.851 114.554 -0.271 0.000 2.771 224 T HA 0.350 4.700 4.350 -0.000 0.000 0.291 224 T C -0.738 173.946 174.700 -0.026 0.000 0.954 224 T CA 0.313 62.302 62.100 -0.185 0.000 1.045 224 T CB 0.127 68.772 68.868 -0.372 0.000 0.917 224 T HN 0.423 nan 8.240 nan 0.000 0.484 225 Y N 4.701 124.969 120.300 -0.053 0.000 2.393 225 Y HA 0.439 4.989 4.550 0.000 0.000 0.338 225 Y C -0.730 175.177 175.900 0.011 0.000 1.029 225 Y CA -1.065 57.039 58.100 0.008 0.000 1.239 225 Y CB 0.304 38.782 38.460 0.030 0.000 1.170 225 Y HN 0.328 nan 8.280 nan 0.000 0.515 226 V N 7.247 126.933 119.914 -0.380 0.000 2.334 226 V HA 0.153 4.272 4.120 -0.000 0.000 0.281 226 V C -0.436 175.332 176.094 -0.544 0.000 1.016 226 V CA -0.932 61.146 62.300 -0.370 0.000 0.832 226 V CB 1.106 32.871 31.823 -0.096 0.000 0.999 226 V HN 0.707 nan 8.190 nan 0.000 0.439 227 D N 3.595 123.608 120.400 -0.645 0.000 2.316 227 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 227 D C 1.401 177.645 176.300 -0.094 0.000 1.171 227 D CA 0.192 53.963 54.000 -0.382 0.000 0.856 227 D CB 1.814 42.460 40.800 -0.257 0.000 1.090 227 D HN 0.566 nan 8.370 nan 0.000 0.476 228 S N 3.997 119.688 115.700 -0.016 0.000 2.474 228 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 228 S C 1.603 176.228 174.600 0.041 0.000 0.997 228 S CA 0.450 58.675 58.200 0.042 0.000 0.949 228 S CB -0.072 63.166 63.200 0.062 0.000 0.766 228 S HN 0.524 nan 8.310 nan 0.000 0.517 229 R N 0.530 121.045 120.500 0.025 0.000 2.189 229 R HA 0.104 4.444 4.340 -0.000 0.000 0.218 229 R C 2.354 178.672 176.300 0.030 0.000 1.074 229 R CA 1.134 57.252 56.100 0.029 0.000 0.991 229 R CB -0.128 30.189 30.300 0.029 0.000 0.883 229 R HN 0.465 nan 8.270 nan 0.000 0.457 230 Q N -0.528 119.286 119.800 0.023 0.000 2.287 230 Q HA 0.090 4.430 4.340 -0.000 0.000 0.201 230 Q C 0.267 176.286 176.000 0.031 0.000 0.946 230 Q CA 1.022 56.839 55.803 0.023 0.000 0.868 230 Q CB 0.794 29.541 28.738 0.014 0.000 0.967 230 Q HN 0.062 nan 8.270 nan 0.000 0.516 231 T N 3.520 118.102 114.554 0.047 0.000 2.963 231 T HA 0.392 4.742 4.350 -0.000 0.000 0.328 231 T C -2.632 172.128 174.700 0.101 0.000 1.048 231 T CA -1.270 60.873 62.100 0.072 0.000 1.033 231 T CB 2.023 70.961 68.868 0.117 0.000 1.010 231 T HN -0.086 nan 8.240 nan 0.000 0.469 232 P HA 0.154 nan 4.420 nan 0.000 0.270 232 P C 1.213 178.610 177.300 0.161 0.000 1.223 232 P CA -0.450 62.734 63.100 0.141 0.000 0.785 232 P CB 0.686 32.462 31.700 0.127 0.000 0.923 233 V N 1.508 121.540 119.914 0.196 0.000 2.324 233 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 233 V C 2.284 178.487 176.094 0.183 0.000 1.060 233 V CA 2.348 64.779 62.300 0.219 0.000 1.042 233 V CB -1.255 30.669 31.823 0.168 0.000 0.650 233 V HN 0.735 nan 8.190 nan 0.000 0.450 234 E N 0.107 120.398 120.200 0.151 0.000 2.265 234 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 234 E C 1.124 177.775 176.600 0.084 0.000 0.996 234 E CA 1.685 58.155 56.400 0.116 0.000 0.832 234 E CB -0.402 29.363 29.700 0.109 0.000 0.756 234 E HN 0.573 nan 8.360 nan 0.000 0.491 235 D N 0.609 121.056 120.400 0.078 0.000 2.349 235 D HA 0.037 4.677 4.640 -0.000 0.000 0.215 235 D C 1.897 178.210 176.300 0.022 0.000 1.016 235 D CA 0.120 54.145 54.000 0.041 0.000 0.870 235 D CB 0.399 41.219 40.800 0.033 0.000 0.917 235 D HN 0.041 nan 8.370 nan 0.000 0.524 236 V N 1.662 121.606 119.914 0.050 0.000 2.343 236 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 236 V C -0.649 175.421 176.094 -0.041 0.000 1.051 236 V CA 1.673 63.984 62.300 0.018 0.000 1.036 236 V CB -1.209 30.576 31.823 -0.064 0.000 0.654 236 V HN 0.165 nan 8.190 nan 0.000 0.451 237 P HA -0.166 nan 4.420 nan 0.000 0.216 237 P C 1.272 178.542 177.300 -0.049 0.000 1.150 237 P CA 1.810 64.885 63.100 -0.042 0.000 0.837 237 P CB 0.044 31.740 31.700 -0.007 0.000 0.786 238 D N -1.215 119.154 120.400 -0.051 0.000 2.103 238 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 238 D C 1.726 177.946 176.300 -0.133 0.000 0.978 238 D CA 0.889 54.848 54.000 -0.068 0.000 0.829 238 D CB -0.435 40.334 40.800 -0.051 0.000 0.981 238 D HN -0.142 nan 8.370 nan 0.000 0.464 239 V N -0.389 119.399 119.914 -0.210 0.000 2.488 239 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 239 V C 1.179 176.880 176.094 -0.654 0.000 1.046 239 V CA 1.328 63.357 62.300 -0.452 0.000 1.053 239 V CB -0.444 31.041 31.823 -0.564 0.000 0.679 239 V HN 0.223 nan 8.190 nan 0.000 0.458 240 Y N 0.289 120.515 120.300 -0.123 0.000 2.844 240 Y HA 0.455 5.005 4.550 0.000 0.000 0.130 240 Y C 0.855 176.666 175.900 -0.148 0.000 0.874 240 Y CA -0.509 57.504 58.100 -0.145 0.000 1.804 240 Y CB -0.017 38.249 38.460 -0.322 0.000 1.191 240 Y HN 0.253 nan 8.280 nan 0.000 0.336 241 E N -0.329 119.823 120.200 -0.081 0.000 2.437 241 E HA 0.345 4.695 4.350 -0.000 0.000 0.280 241 E C -1.689 174.830 176.600 -0.134 0.000 1.044 241 E CA -1.100 55.251 56.400 -0.082 0.000 0.826 241 E CB 1.281 30.966 29.700 -0.024 0.000 1.358 241 E HN 0.265 nan 8.360 nan 0.000 0.459 242 Q N 0.662 120.428 119.800 -0.056 0.000 2.392 242 Q HA 0.266 4.606 4.340 -0.000 0.000 0.262 242 Q C -0.347 175.648 176.000 -0.009 0.000 1.003 242 Q CA -0.019 55.769 55.803 -0.026 0.000 0.888 242 Q CB 0.646 29.389 28.738 0.009 0.000 1.260 242 Q HN 0.368 nan 8.270 nan 0.000 0.435 243 M N 2.305 121.928 119.600 0.039 0.000 2.167 243 M HA 0.163 4.643 4.480 -0.000 0.000 0.333 243 M C -0.023 176.413 176.300 0.226 0.000 1.030 243 M CA -0.362 55.001 55.300 0.104 0.000 0.963 243 M CB 1.349 34.023 32.600 0.124 0.000 1.589 243 M HN 0.602 nan 8.290 nan 0.000 0.431 244 D N 1.805 122.385 120.400 0.300 0.000 2.178 244 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 244 D C -0.188 176.539 176.300 0.712 0.000 0.980 244 D CA 1.572 55.853 54.000 0.468 0.000 0.842 244 D CB 0.320 41.348 40.800 0.380 0.000 0.948 244 D HN 0.406 nan 8.370 nan 0.000 0.472 245 F N 0.676 120.891 119.950 0.441 0.000 2.539 245 F HA 0.443 4.970 4.527 0.000 0.000 0.318 245 F C -1.270 174.710 175.800 0.301 0.000 1.135 245 F CA -1.153 57.124 58.000 0.461 0.000 0.915 245 F CB 1.157 40.492 39.000 0.558 0.000 1.176 245 F HN -0.331 nan 8.300 nan 0.000 0.440 246 I N 6.444 126.722 120.570 -0.488 0.000 2.433 246 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 246 I C -1.644 174.008 176.117 -0.776 0.000 1.001 246 I CA -1.074 59.947 61.300 -0.464 0.000 1.119 246 I CB 2.020 39.924 38.000 -0.161 0.000 1.289 246 I HN 0.561 nan 8.210 nan 0.000 0.438 247 Y N 6.143 126.054 120.300 -0.648 0.000 2.328 247 Y HA 0.293 4.843 4.550 -0.000 0.000 0.333 247 Y C -0.099 175.660 175.900 -0.234 0.000 0.958 247 Y CA -0.551 57.321 58.100 -0.381 0.000 1.167 247 Y CB 1.019 39.369 38.460 -0.185 0.000 1.151 247 Y HN 0.461 nan 8.280 nan 0.000 0.470 248 E N 5.049 125.105 120.200 -0.240 0.000 2.167 248 E HA 0.528 4.878 4.350 -0.000 0.000 0.284 248 E C -1.169 175.391 176.600 -0.067 0.000 1.016 248 E CA -0.160 56.167 56.400 -0.121 0.000 0.817 248 E CB 1.235 30.885 29.700 -0.084 0.000 1.080 248 E HN 0.802 nan 8.360 nan 0.000 0.397 249 A N 3.571 126.436 122.820 0.076 0.000 2.843 249 A HA 0.166 4.486 4.320 -0.000 0.000 0.248 249 A C 0.628 178.293 177.584 0.135 0.000 0.904 249 A CA 0.084 52.201 52.037 0.133 0.000 1.091 249 A CB -0.150 19.010 19.000 0.267 0.000 1.208 249 A HN 0.607 nan 8.150 nan 0.000 0.476 250 T N -4.955 109.695 114.554 0.161 0.000 2.978 250 T HA 0.407 4.757 4.350 -0.000 0.000 0.248 250 T C 1.541 176.356 174.700 0.192 0.000 1.018 250 T CA 1.007 63.226 62.100 0.198 0.000 1.026 250 T CB 0.101 69.174 68.868 0.341 0.000 1.032 250 T HN 1.811 nan 8.240 nan 0.000 0.485 251 G N 1.456 110.365 108.800 0.181 0.000 2.153 251 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 251 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 251 G C -0.220 174.815 174.900 0.224 0.000 0.994 251 G CA 0.143 45.339 45.100 0.161 0.000 0.698 251 G HN 0.636 nan 8.290 nan 0.000 0.521 252 F N 1.078 121.059 119.950 0.052 0.000 2.332 252 F HA 0.593 5.120 4.527 -0.000 0.000 0.368 252 F C -0.917 174.886 175.800 0.006 0.000 1.110 252 F CA -2.662 55.325 58.000 -0.022 0.000 1.087 252 F CB 1.826 40.640 39.000 -0.309 0.000 1.235 252 F HN -0.121 nan 8.300 nan 0.000 0.470 253 P HA -0.210 nan 4.420 nan 0.000 0.216 253 P C 1.059 178.288 177.300 -0.119 0.000 1.150 253 P CA 1.869 64.937 63.100 -0.054 0.000 0.843 253 P CB 0.148 31.899 31.700 0.085 0.000 0.787 254 K N -1.408 118.737 120.400 -0.425 0.000 2.152 254 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 254 K C 1.994 178.647 176.600 0.088 0.000 1.048 254 K CA 1.307 57.459 56.287 -0.227 0.000 0.933 254 K CB -0.649 31.593 32.500 -0.430 0.000 0.721 254 K HN 0.462 nan 8.250 nan 0.000 0.447 255 H N -0.072 119.085 119.070 0.147 0.000 2.423 255 H HA -0.029 4.527 4.556 -0.000 0.000 0.297 255 H C 2.219 177.596 175.328 0.080 0.000 1.075 255 H CA 0.473 56.608 56.048 0.144 0.000 1.342 255 H CB 0.089 29.952 29.762 0.168 0.000 1.395 255 H HN 0.267 nan 8.280 nan 0.000 0.530 256 A N 1.402 124.329 122.820 0.177 0.000 1.877 256 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 256 A C 2.211 179.887 177.584 0.154 0.000 1.186 256 A CA 1.358 53.465 52.037 0.116 0.000 0.620 256 A CB -0.326 18.707 19.000 0.054 0.000 0.822 256 A HN 0.235 nan 8.150 nan 0.000 0.443 257 I N -0.427 120.212 120.570 0.115 0.000 2.233 257 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 257 I C 2.294 178.561 176.117 0.251 0.000 1.093 257 I CA 1.179 62.565 61.300 0.144 0.000 1.380 257 I CB -1.448 36.557 38.000 0.009 0.000 1.067 257 I HN 0.358 nan 8.210 nan 0.000 0.413 258 Q N 0.263 120.183 119.800 0.200 0.000 2.378 258 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 258 Q C 2.349 178.453 176.000 0.173 0.000 0.954 258 Q CA 0.520 56.438 55.803 0.192 0.000 0.901 258 Q CB -0.259 28.598 28.738 0.198 0.000 0.981 258 Q HN 0.371 nan 8.270 nan 0.000 0.483 259 S N 0.491 116.286 115.700 0.159 0.000 2.383 259 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 259 S C 2.081 176.747 174.600 0.109 0.000 1.030 259 S CA 0.993 59.260 58.200 0.111 0.000 1.002 259 S CB -0.131 63.109 63.200 0.067 0.000 0.829 259 S HN 0.169 nan 8.310 nan 0.000 0.467 260 V N 1.905 121.890 119.914 0.118 0.000 2.392 260 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 260 V C 2.465 178.599 176.094 0.068 0.000 1.059 260 V CA 1.478 63.807 62.300 0.049 0.000 1.051 260 V CB -0.539 31.247 31.823 -0.061 0.000 0.658 260 V HN 0.454 nan 8.190 nan 0.000 0.455 261 Q N -0.374 119.488 119.800 0.104 0.000 2.245 261 Q HA 0.069 4.409 4.340 -0.000 0.000 0.201 261 Q C 2.239 178.296 176.000 0.096 0.000 0.955 261 Q CA 1.476 57.338 55.803 0.099 0.000 0.870 261 Q CB -0.421 28.381 28.738 0.107 0.000 0.945 261 Q HN 0.657 nan 8.270 nan 0.000 0.461 262 A N 0.137 123.024 122.820 0.112 0.000 2.132 262 A HA 0.142 4.462 4.320 -0.000 0.000 0.213 262 A C 1.061 178.709 177.584 0.105 0.000 1.154 262 A CA -0.107 51.999 52.037 0.115 0.000 0.753 262 A CB -0.088 19.024 19.000 0.185 0.000 0.826 262 A HN 0.216 nan 8.150 nan 0.000 0.469 263 L N 0.695 121.983 121.223 0.108 0.000 2.456 263 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 263 L C 0.953 177.880 176.870 0.095 0.000 1.189 263 L CA -0.535 54.376 54.840 0.119 0.000 0.846 263 L CB 0.768 42.896 42.059 0.115 0.000 1.111 263 L HN 0.321 nan 8.230 nan 0.000 0.475 264 A N 4.985 127.874 122.820 0.115 0.000 2.406 264 A HA 0.402 4.722 4.320 -0.000 0.000 0.243 264 A C -2.250 175.364 177.584 0.051 0.000 1.082 264 A CA -1.185 50.896 52.037 0.074 0.000 0.786 264 A CB -0.388 18.685 19.000 0.121 0.000 1.029 264 A HN 0.470 nan 8.150 nan 0.000 0.495 265 P HA 0.027 nan 4.420 nan 0.000 0.264 265 P C -0.096 177.240 177.300 0.061 0.000 1.183 265 P CA 0.766 63.784 63.100 -0.136 0.000 0.763 265 P CB 0.193 31.682 31.700 -0.352 0.000 0.807 266 N N -0.944 117.789 118.700 0.056 0.000 2.909 266 N HA -0.130 4.610 4.740 -0.000 0.000 0.242 266 N C 0.660 176.287 175.510 0.196 0.000 0.975 266 N CA 1.555 54.648 53.050 0.071 0.000 0.921 266 N CB -2.057 36.489 38.487 0.098 0.000 1.112 266 N HN 0.612 nan 8.380 nan 0.000 0.581 267 G N -0.065 108.873 108.800 0.229 0.000 2.616 267 G HA2 0.540 4.500 3.960 -0.000 0.000 0.268 267 G HA3 0.540 4.500 3.960 -0.000 0.000 0.268 267 G C -0.343 174.640 174.900 0.137 0.000 1.213 267 G CA 0.188 45.475 45.100 0.312 0.000 0.926 267 G HN 0.304 nan 8.290 nan 0.000 0.523 268 V N -0.566 119.479 119.914 0.218 0.000 2.789 268 V HA 0.825 4.945 4.120 -0.000 0.000 0.311 268 V C 0.228 176.461 176.094 0.231 0.000 1.073 268 V CA -0.110 62.296 62.300 0.176 0.000 0.921 268 V CB 1.959 33.846 31.823 0.106 0.000 1.009 268 V HN 1.143 nan 8.190 nan 0.000 0.426 269 G N 4.396 113.254 108.800 0.098 0.000 2.368 269 G HA2 0.712 4.672 3.960 -0.000 0.000 0.320 269 G HA3 0.712 4.672 3.960 -0.000 0.000 0.320 269 G C -0.354 174.546 174.900 0.001 0.000 1.158 269 G CA -0.065 45.024 45.100 -0.017 0.000 0.912 269 G HN 1.394 nan 8.290 nan 0.000 0.456 270 A N 2.776 125.553 122.820 -0.072 0.000 2.301 270 A HA 0.715 5.035 4.320 -0.000 0.000 0.298 270 A C -0.072 177.363 177.584 -0.247 0.000 1.185 270 A CA -0.426 51.557 52.037 -0.089 0.000 0.830 270 A CB 0.477 19.470 19.000 -0.012 0.000 1.112 270 A HN 0.677 nan 8.150 nan 0.000 0.508 271 L N 3.493 124.604 121.223 -0.187 0.000 2.305 271 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 271 L C 0.144 176.893 176.870 -0.203 0.000 1.013 271 L CA -0.580 54.158 54.840 -0.170 0.000 0.819 271 L CB 1.454 43.470 42.059 -0.073 0.000 1.227 271 L HN 0.632 nan 8.230 nan 0.000 0.417 272 L N 1.861 122.951 121.223 -0.221 0.000 2.717 272 L HA 0.282 4.622 4.340 -0.000 0.000 0.239 272 L C 1.258 178.095 176.870 -0.055 0.000 1.086 272 L CA 0.434 55.178 54.840 -0.160 0.000 0.897 272 L CB 0.155 42.098 42.059 -0.194 0.000 1.214 272 L HN 0.669 nan 8.230 nan 0.000 0.508 273 G N 0.445 109.231 108.800 -0.023 0.000 2.544 273 G HA2 0.325 4.285 3.960 -0.000 0.000 0.242 273 G HA3 0.325 4.285 3.960 -0.000 0.000 0.242 273 G C -0.270 174.647 174.900 0.029 0.000 1.247 273 G CA -0.043 45.076 45.100 0.032 0.000 0.840 273 G HN -0.053 nan 8.290 nan 0.000 0.578 274 V N 4.497 124.438 119.914 0.045 0.000 2.260 274 V HA 0.244 4.364 4.120 -0.000 0.000 0.263 274 V C -1.691 174.434 176.094 0.051 0.000 1.036 274 V CA -1.085 61.238 62.300 0.037 0.000 0.874 274 V CB 0.473 32.315 31.823 0.032 0.000 1.116 274 V HN 0.729 nan 8.190 nan 0.000 0.454 275 P HA 0.461 nan 4.420 nan 0.000 0.279 275 P C 0.053 177.389 177.300 0.060 0.000 1.252 275 P CA -0.169 62.975 63.100 0.074 0.000 0.811 275 P CB 1.373 33.135 31.700 0.102 0.000 1.035 276 S N 0.399 116.134 115.700 0.058 0.000 2.600 276 S HA 0.117 4.587 4.470 -0.000 0.000 0.265 276 S C -0.057 174.595 174.600 0.086 0.000 1.325 276 S CA -0.389 57.840 58.200 0.048 0.000 1.002 276 S CB -0.064 63.148 63.200 0.022 0.000 0.921 276 S HN 0.453 nan 8.310 nan 0.000 0.554 277 D N 0.826 121.267 120.400 0.069 0.000 2.506 277 D HA 0.166 4.806 4.640 -0.000 0.000 0.234 277 D C -0.642 175.786 176.300 0.214 0.000 1.143 277 D CA 0.770 54.826 54.000 0.093 0.000 0.871 277 D CB 0.209 41.037 40.800 0.048 0.000 1.190 277 D HN 0.443 nan 8.370 nan 0.000 0.459 278 W N 1.928 123.211 121.300 -0.029 0.000 3.651 278 W HA 0.496 5.156 4.660 0.000 0.000 0.322 278 W C -1.740 174.755 176.519 -0.041 0.000 1.132 278 W CA -1.263 56.100 57.345 0.031 0.000 1.277 278 W CB 0.325 29.844 29.460 0.098 0.000 1.249 278 W HN 0.350 nan 8.180 nan 0.000 0.448 279 A N 6.270 129.137 122.820 0.077 0.000 2.317 279 A HA 0.949 5.269 4.320 -0.000 0.000 0.327 279 A C -1.345 176.120 177.584 -0.198 0.000 1.178 279 A CA -0.241 51.636 52.037 -0.267 0.000 0.817 279 A CB 0.625 19.552 19.000 -0.122 0.000 1.189 279 A HN 0.886 nan 8.150 nan 0.000 0.489 280 F N -0.902 118.845 119.950 -0.337 0.000 2.817 280 F HA 0.580 5.107 4.527 -0.000 0.000 0.317 280 F C -0.439 175.223 175.800 -0.230 0.000 1.168 280 F CA -1.071 56.756 58.000 -0.288 0.000 0.911 280 F CB 0.969 39.692 39.000 -0.461 0.000 1.337 280 F HN 0.588 nan 8.300 nan 0.000 0.464 281 E N 1.375 121.621 120.200 0.076 0.000 2.366 281 E HA 0.481 4.831 4.350 -0.000 0.000 0.266 281 E C -1.542 175.071 176.600 0.022 0.000 1.015 281 E CA -0.256 56.146 56.400 0.004 0.000 0.906 281 E CB 0.922 30.638 29.700 0.027 0.000 0.979 281 E HN 0.559 nan 8.360 nan 0.000 0.443 282 V N 4.717 124.579 119.914 -0.085 0.000 2.588 282 V HA 0.072 4.192 4.120 -0.000 0.000 0.304 282 V C -0.295 175.772 176.094 -0.045 0.000 1.042 282 V CA -0.905 61.347 62.300 -0.080 0.000 0.877 282 V CB 1.844 33.530 31.823 -0.228 0.000 0.996 282 V HN 0.729 nan 8.190 nan 0.000 0.425 283 D N 3.587 123.991 120.400 0.006 0.000 2.498 283 D HA 0.270 4.910 4.640 -0.000 0.000 0.229 283 D C 1.030 177.367 176.300 0.062 0.000 1.188 283 D CA 0.383 54.402 54.000 0.032 0.000 1.028 283 D CB 1.392 42.223 40.800 0.052 0.000 1.087 283 D HN 0.665 nan 8.370 nan 0.000 0.510 284 A N 2.883 125.719 122.820 0.027 0.000 1.969 284 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 284 A C 2.112 179.811 177.584 0.193 0.000 1.169 284 A CA 1.421 53.497 52.037 0.064 0.000 0.635 284 A CB -0.472 18.517 19.000 -0.018 0.000 0.810 284 A HN 0.546 nan 8.150 nan 0.000 0.445 285 G N -0.213 108.662 108.800 0.125 0.000 2.446 285 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.217 285 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.217 285 G C 1.746 176.714 174.900 0.114 0.000 1.168 285 G CA 1.500 46.665 45.100 0.107 0.000 0.771 285 G HN 0.782 nan 8.290 nan 0.000 0.551 286 A N 0.278 123.165 122.820 0.112 0.000 1.930 286 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 286 A C 2.158 179.826 177.584 0.141 0.000 1.175 286 A CA 1.529 53.624 52.037 0.098 0.000 0.627 286 A CB -0.533 18.519 19.000 0.087 0.000 0.815 286 A HN 0.439 nan 8.150 nan 0.000 0.443 287 F N 0.147 120.127 119.950 0.051 0.000 2.069 287 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 287 F C 2.243 178.101 175.800 0.098 0.000 1.113 287 F CA 2.491 60.525 58.000 0.057 0.000 1.214 287 F CB -0.696 38.322 39.000 0.030 0.000 0.978 287 F HN 0.508 nan 8.300 nan 0.000 0.474 288 H N -0.319 118.837 119.070 0.143 0.000 2.293 288 H HA -0.178 4.378 4.556 0.000 0.000 0.300 288 H C 2.655 177.935 175.328 -0.080 0.000 1.082 288 H CA 1.494 57.556 56.048 0.024 0.000 1.308 288 H CB -0.191 29.648 29.762 0.128 0.000 1.375 288 H HN 0.244 nan 8.280 nan 0.000 0.495 289 R N 0.325 120.845 120.500 0.033 0.000 2.081 289 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 289 R C 2.307 178.555 176.300 -0.088 0.000 1.131 289 R CA 1.815 57.865 56.100 -0.083 0.000 0.960 289 R CB -0.062 30.181 30.300 -0.096 0.000 0.856 289 R HN 0.289 nan 8.270 nan 0.000 0.436 290 E N 0.295 120.449 120.200 -0.076 0.000 2.110 290 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 290 E C 1.872 178.422 176.600 -0.084 0.000 0.988 290 E CA 1.463 57.817 56.400 -0.077 0.000 0.804 290 E CB -0.033 29.648 29.700 -0.032 0.000 0.745 290 E HN 0.243 nan 8.360 nan 0.000 0.458 291 M N -0.262 119.243 119.600 -0.159 0.000 2.108 291 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 291 M C 2.171 178.429 176.300 -0.070 0.000 1.066 291 M CA 1.092 56.297 55.300 -0.158 0.000 1.107 291 M CB -0.712 31.726 32.600 -0.271 0.000 1.356 291 M HN 0.104 nan 8.290 nan 0.000 0.406 292 V N 0.240 120.126 119.914 -0.045 0.000 2.273 292 V HA -0.181 3.939 4.120 -0.000 0.000 0.242 292 V C 2.466 178.523 176.094 -0.062 0.000 1.035 292 V CA 1.144 63.425 62.300 -0.032 0.000 1.013 292 V CB -0.603 31.215 31.823 -0.009 0.000 0.652 292 V HN 0.391 nan 8.190 nan 0.000 0.452 293 L N -0.538 120.617 121.223 -0.115 0.000 2.265 293 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 293 L C 1.689 178.470 176.870 -0.149 0.000 1.117 293 L CA 1.643 56.375 54.840 -0.180 0.000 0.782 293 L CB -0.520 41.361 42.059 -0.297 0.000 0.914 293 L HN 0.510 nan 8.230 nan 0.000 0.441 294 H N -1.110 117.930 119.070 -0.051 0.000 2.512 294 H HA 0.163 4.719 4.556 0.000 0.000 0.276 294 H C -0.186 175.100 175.328 -0.071 0.000 1.126 294 H CA -0.501 55.518 56.048 -0.048 0.000 1.060 294 H CB 0.343 30.090 29.762 -0.024 0.000 1.646 294 H HN 0.214 nan 8.280 nan 0.000 0.571 295 N N 1.719 120.427 118.700 0.014 0.000 2.705 295 N HA -0.202 4.538 4.740 -0.000 0.000 0.255 295 N C -0.953 174.522 175.510 -0.057 0.000 1.008 295 N CA 0.508 53.518 53.050 -0.066 0.000 0.742 295 N CB -0.472 37.912 38.487 -0.173 0.000 0.906 295 N HN 0.429 nan 8.380 nan 0.000 0.541 296 K N 0.303 120.688 120.400 -0.025 0.000 2.106 296 K HA 0.831 5.151 4.320 -0.000 0.000 0.246 296 K C -0.167 176.415 176.600 -0.031 0.000 0.987 296 K CA -0.584 55.694 56.287 -0.016 0.000 0.904 296 K CB 1.452 33.948 32.500 -0.008 0.000 1.071 296 K HN 0.198 nan 8.250 nan 0.000 0.453 297 A N 1.828 124.641 122.820 -0.012 0.000 2.435 297 A HA 0.675 4.995 4.320 -0.000 0.000 0.304 297 A C -1.384 176.210 177.584 0.017 0.000 1.064 297 A CA -0.780 51.255 52.037 -0.003 0.000 0.727 297 A CB 0.876 19.879 19.000 0.005 0.000 1.284 297 A HN 0.574 nan 8.150 nan 0.000 0.415 298 L N 1.713 122.949 121.223 0.022 0.000 2.362 298 L HA 0.666 5.006 4.340 -0.000 0.000 0.275 298 L C -1.141 175.753 176.870 0.039 0.000 0.998 298 L CA -0.922 53.942 54.840 0.040 0.000 0.820 298 L CB 2.067 44.165 42.059 0.064 0.000 1.270 298 L HN 0.444 nan 8.230 nan 0.000 0.415 299 V N 1.831 121.767 119.914 0.037 0.000 2.525 299 V HA 0.580 4.700 4.120 -0.000 0.000 0.299 299 V C 0.404 176.489 176.094 -0.014 0.000 1.034 299 V CA -0.578 61.740 62.300 0.029 0.000 0.863 299 V CB 1.754 33.618 31.823 0.068 0.000 0.999 299 V HN 0.851 nan 8.190 nan 0.000 0.423 300 G N 2.106 110.886 108.800 -0.035 0.000 2.425 300 G HA2 0.600 4.560 3.960 -0.000 0.000 0.302 300 G HA3 0.600 4.560 3.960 -0.000 0.000 0.302 300 G C -0.529 174.298 174.900 -0.120 0.000 1.159 300 G CA -0.314 44.742 45.100 -0.073 0.000 0.865 300 G HN 0.735 nan 8.290 nan 0.000 0.515 301 S N -0.654 114.957 115.700 -0.148 0.000 2.536 301 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 301 S C -1.396 173.106 174.600 -0.164 0.000 1.134 301 S CA -0.562 57.517 58.200 -0.202 0.000 0.897 301 S CB 1.904 64.978 63.200 -0.211 0.000 1.094 301 S HN 1.098 nan 8.310 nan 0.000 0.473 302 V N 4.588 124.395 119.914 -0.179 0.000 2.971 302 V HA 0.732 4.852 4.120 -0.000 0.000 0.309 302 V C -0.146 175.859 176.094 -0.149 0.000 1.130 302 V CA 0.251 62.466 62.300 -0.141 0.000 0.964 302 V CB 1.682 33.429 31.823 -0.127 0.000 1.029 302 V HN 1.306 nan 8.190 nan 0.000 0.427 303 N N 2.911 121.550 118.700 -0.102 0.000 5.393 303 N HA -0.123 4.617 4.740 -0.000 0.000 0.330 303 N C -0.692 174.812 175.510 -0.011 0.000 0.915 303 N CA 1.525 54.541 53.050 -0.055 0.000 1.070 303 N CB -0.636 37.770 38.487 -0.134 0.000 0.848 303 N HN 2.167 nan 8.380 nan 0.000 0.486 304 S N -2.218 113.560 115.700 0.129 0.000 2.633 304 S HA 0.581 5.051 4.470 -0.000 0.000 0.271 304 S C -1.337 173.636 174.600 0.622 0.000 1.112 304 S CA -0.574 57.804 58.200 0.297 0.000 0.828 304 S CB 1.891 65.194 63.200 0.172 0.000 1.086 304 S HN 1.064 nan 8.310 nan 0.000 0.461 305 H N -0.973 118.524 119.070 0.712 0.000 3.048 305 H HA 0.690 5.246 4.556 -0.000 0.000 0.296 305 H C 1.143 176.670 175.328 0.332 0.000 1.508 305 H CA -0.076 56.202 56.048 0.384 0.000 1.250 305 H CB 0.952 30.825 29.762 0.185 0.000 1.896 305 H HN 0.408 nan 8.280 nan 0.000 0.604 306 V N 0.605 120.272 119.914 -0.410 0.000 2.278 306 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 306 V C 1.810 177.889 176.094 -0.026 0.000 1.062 306 V CA 2.573 64.708 62.300 -0.275 0.000 1.038 306 V CB -0.488 31.118 31.823 -0.361 0.000 0.646 306 V HN 0.718 nan 8.190 nan 0.000 0.447 307 E N -0.879 119.257 120.200 -0.107 0.000 2.153 307 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 307 E C 2.021 178.583 176.600 -0.063 0.000 0.988 307 E CA 1.597 57.925 56.400 -0.120 0.000 0.811 307 E CB -0.219 29.356 29.700 -0.209 0.000 0.746 307 E HN 0.803 nan 8.360 nan 0.000 0.466 308 H N -1.031 118.159 119.070 0.201 0.000 2.428 308 H HA -0.046 4.510 4.556 -0.000 0.000 0.296 308 H C 1.597 177.001 175.328 0.127 0.000 1.062 308 H CA 0.875 57.015 56.048 0.154 0.000 1.350 308 H CB 0.000 29.852 29.762 0.150 0.000 1.403 308 H HN 0.092 nan 8.280 nan 0.000 0.533 309 F N 1.329 121.347 119.950 0.113 0.000 2.146 309 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 309 F C 2.219 178.034 175.800 0.026 0.000 1.096 309 F CA 1.137 59.173 58.000 0.060 0.000 1.275 309 F CB -0.267 38.748 39.000 0.024 0.000 1.008 309 F HN 0.182 nan 8.300 nan 0.000 0.480 310 E N 0.071 120.388 120.200 0.195 0.000 2.077 310 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 310 E C 2.433 179.080 176.600 0.078 0.000 0.989 310 E CA 1.080 57.538 56.400 0.097 0.000 0.800 310 E CB -0.383 29.349 29.700 0.053 0.000 0.746 310 E HN 0.353 nan 8.360 nan 0.000 0.452 311 A N 1.543 124.415 122.820 0.088 0.000 1.933 311 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 311 A C 2.414 180.043 177.584 0.074 0.000 1.175 311 A CA 1.658 53.743 52.037 0.081 0.000 0.628 311 A CB -0.677 18.385 19.000 0.103 0.000 0.814 311 A HN 0.296 nan 8.150 nan 0.000 0.444 312 A N -0.094 122.767 122.820 0.069 0.000 1.940 312 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 312 A C 2.454 180.081 177.584 0.072 0.000 1.176 312 A CA 2.690 54.756 52.037 0.048 0.000 0.631 312 A CB -1.514 17.474 19.000 -0.021 0.000 0.814 312 A HN 0.847 nan 8.150 nan 0.000 0.446 313 T N -2.574 112.009 114.554 0.049 0.000 2.746 313 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 313 T C 1.683 176.435 174.700 0.086 0.000 1.039 313 T CA 1.683 63.800 62.100 0.029 0.000 1.142 313 T CB -0.809 68.053 68.868 -0.009 0.000 0.866 313 T HN 0.094 nan 8.240 nan 0.000 0.444 314 V N 1.745 121.703 119.914 0.074 0.000 2.358 314 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 314 V C 3.092 179.236 176.094 0.084 0.000 1.047 314 V CA 2.219 64.562 62.300 0.072 0.000 1.035 314 V CB -1.260 30.594 31.823 0.051 0.000 0.658 314 V HN 0.565 nan 8.190 nan 0.000 0.452 315 T N 0.184 114.787 114.554 0.081 0.000 2.746 315 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 315 T C 1.681 176.424 174.700 0.072 0.000 1.039 315 T CA 1.929 64.064 62.100 0.058 0.000 1.142 315 T CB -0.435 68.460 68.868 0.046 0.000 0.866 315 T HN 0.452 nan 8.240 nan 0.000 0.444 316 F N 2.207 122.137 119.950 -0.033 0.000 2.120 316 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 316 F C 2.365 178.143 175.800 -0.036 0.000 1.095 316 F CA 1.511 59.487 58.000 -0.041 0.000 1.249 316 F CB -0.810 38.162 39.000 -0.048 0.000 0.995 316 F HN 0.071 nan 8.300 nan 0.000 0.480 317 T N 0.168 114.858 114.554 0.228 0.000 2.897 317 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 317 T C 1.715 176.409 174.700 -0.011 0.000 1.084 317 T CA 1.572 63.742 62.100 0.118 0.000 1.123 317 T CB -0.244 68.696 68.868 0.120 0.000 0.865 317 T HN 0.329 nan 8.240 nan 0.000 0.496 318 K N 0.226 120.604 120.400 -0.037 0.000 2.379 318 K HA 0.230 4.550 4.320 -0.000 0.000 0.194 318 K C 0.306 176.829 176.600 -0.128 0.000 1.031 318 K CA 0.009 56.258 56.287 -0.063 0.000 1.037 318 K CB 0.135 32.611 32.500 -0.041 0.000 0.824 318 K HN 0.323 nan 8.250 nan 0.000 0.516 319 L N 2.984 124.084 121.223 -0.204 0.000 2.426 319 L HA 0.144 4.484 4.340 -0.000 0.000 0.271 319 L C -2.168 174.551 176.870 -0.252 0.000 1.169 319 L CA -2.124 52.553 54.840 -0.272 0.000 0.836 319 L CB -0.106 41.764 42.059 -0.315 0.000 1.112 319 L HN -0.159 nan 8.230 nan 0.000 0.465 320 P HA 0.086 nan 4.420 nan 0.000 0.269 320 P C -0.223 176.914 177.300 -0.272 0.000 1.209 320 P CA -0.334 62.626 63.100 -0.233 0.000 0.776 320 P CB 0.736 32.249 31.700 -0.311 0.000 0.876 321 K N 2.359 122.685 120.400 -0.123 0.000 2.097 321 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 321 K C 1.748 178.301 176.600 -0.078 0.000 1.050 321 K CA 1.441 57.673 56.287 -0.092 0.000 0.938 321 K CB -0.666 31.833 32.500 -0.002 0.000 0.718 321 K HN 0.677 nan 8.250 nan 0.000 0.442 322 W N 0.148 121.459 121.300 0.017 0.000 2.363 322 W HA -0.188 4.472 4.660 -0.000 0.000 0.296 322 W C 1.609 178.140 176.519 0.019 0.000 1.212 322 W CA 0.509 57.863 57.345 0.014 0.000 1.260 322 W CB -1.080 28.394 29.460 0.024 0.000 1.131 322 W HN 0.039 nan 8.180 nan 0.000 0.530 323 F N 2.219 121.368 119.950 -1.335 0.000 2.113 323 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 323 F C 2.413 177.875 175.800 -0.563 0.000 1.103 323 F CA 1.999 59.169 58.000 -1.383 0.000 1.248 323 F CB -0.810 37.294 39.000 -1.492 0.000 0.999 323 F HN -0.250 nan 8.300 nan 0.000 0.475 324 L N 0.257 121.157 121.223 -0.537 0.000 2.079 324 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 324 L C 2.360 179.042 176.870 -0.314 0.000 1.081 324 L CA 1.697 56.271 54.840 -0.444 0.000 0.752 324 L CB -0.828 41.050 42.059 -0.302 0.000 0.896 324 L HN 0.227 nan 8.230 nan 0.000 0.433 325 E N 0.003 120.081 120.200 -0.203 0.000 2.072 325 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 325 E C 1.642 178.185 176.600 -0.095 0.000 0.985 325 E CA 1.330 57.677 56.400 -0.088 0.000 0.801 325 E CB -0.020 29.682 29.700 0.002 0.000 0.750 325 E HN 0.475 nan 8.360 nan 0.000 0.452 326 D N 0.407 120.737 120.400 -0.117 0.000 2.194 326 D HA -0.076 4.564 4.640 -0.000 0.000 0.204 326 D C 1.885 178.081 176.300 -0.174 0.000 0.964 326 D CA 0.296 54.259 54.000 -0.062 0.000 0.846 326 D CB -0.074 40.802 40.800 0.127 0.000 0.962 326 D HN 0.039 nan 8.370 nan 0.000 0.490 327 L N 0.524 121.505 121.223 -0.404 0.000 2.046 327 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 327 L C 0.548 177.316 176.870 -0.170 0.000 1.077 327 L CA 1.066 55.669 54.840 -0.395 0.000 0.747 327 L CB 0.087 41.706 42.059 -0.732 0.000 0.896 327 L HN -0.231 nan 8.230 nan 0.000 0.432 328 V N 1.007 120.845 119.914 -0.127 0.000 2.338 328 V HA 0.087 4.207 4.120 -0.000 0.000 0.255 328 V C 1.453 177.534 176.094 -0.021 0.000 1.082 328 V CA 0.597 62.892 62.300 -0.007 0.000 0.951 328 V CB -0.049 31.824 31.823 0.082 0.000 1.102 328 V HN 0.568 nan 8.190 nan 0.000 0.489 329 T N 0.460 115.006 114.554 -0.014 0.000 3.067 329 T HA 0.277 4.627 4.350 -0.000 0.000 0.257 329 T C 0.815 175.500 174.700 -0.025 0.000 1.105 329 T CA 0.545 62.637 62.100 -0.013 0.000 1.104 329 T CB 0.363 69.233 68.868 0.004 0.000 0.925 329 T HN 0.840 nan 8.240 nan 0.000 0.498 330 G N 0.271 109.039 108.800 -0.053 0.000 2.715 330 G HA2 0.503 4.463 3.960 -0.000 0.000 0.297 330 G HA3 0.503 4.463 3.960 -0.000 0.000 0.297 330 G C -1.728 172.966 174.900 -0.343 0.000 1.386 330 G CA -0.627 44.340 45.100 -0.222 0.000 1.157 330 G HN 0.202 nan 8.290 nan 0.000 0.585 331 V N 2.653 122.299 119.914 -0.448 0.000 2.384 331 V HA 0.509 4.629 4.120 -0.000 0.000 0.287 331 V C -0.553 175.233 176.094 -0.512 0.000 1.020 331 V CA -0.760 61.324 62.300 -0.361 0.000 0.850 331 V CB 1.228 32.946 31.823 -0.174 0.000 0.987 331 V HN 0.804 nan 8.190 nan 0.000 0.436 332 H N 5.573 124.573 119.070 -0.116 0.000 2.505 332 H HA 0.469 5.025 4.556 -0.000 0.000 0.338 332 H C -2.494 172.774 175.328 -0.100 0.000 1.057 332 H CA -1.860 54.132 56.048 -0.094 0.000 1.202 332 H CB 1.961 31.666 29.762 -0.095 0.000 1.466 332 H HN 0.441 nan 8.280 nan 0.000 0.499 333 P HA -0.088 nan 4.420 nan 0.000 0.269 333 P C 0.908 178.179 177.300 -0.049 0.000 1.215 333 P CA -0.413 62.663 63.100 -0.041 0.000 0.780 333 P CB 1.343 33.028 31.700 -0.024 0.000 0.898 334 L N 3.363 124.478 121.223 -0.180 0.000 2.081 334 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 334 L C 2.444 179.328 176.870 0.024 0.000 1.080 334 L CA 2.682 57.389 54.840 -0.221 0.000 0.754 334 L CB -1.609 40.181 42.059 -0.449 0.000 0.893 334 L HN 0.494 nan 8.230 nan 0.000 0.433 335 S N -1.125 114.579 115.700 0.006 0.000 2.402 335 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 335 S C 1.031 175.668 174.600 0.062 0.000 1.030 335 S CA 1.388 59.613 58.200 0.043 0.000 1.003 335 S CB -0.451 62.757 63.200 0.014 0.000 0.813 335 S HN 0.614 nan 8.310 nan 0.000 0.477 336 E N 0.837 121.065 120.200 0.047 0.000 3.646 336 E HA 0.248 4.598 4.350 -0.000 0.000 0.211 336 E C 0.265 176.819 176.600 -0.077 0.000 1.034 336 E CA -0.339 56.044 56.400 -0.028 0.000 1.341 336 E CB -0.044 29.651 29.700 -0.008 0.000 1.202 336 E HN 0.718 nan 8.360 nan 0.000 0.447 337 F N 0.250 120.165 119.950 -0.058 0.000 2.293 337 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 337 F C 1.591 177.356 175.800 -0.059 0.000 1.086 337 F CA 0.671 58.630 58.000 -0.069 0.000 1.375 337 F CB -0.085 38.883 39.000 -0.053 0.000 1.045 337 F HN -0.046 nan 8.300 nan 0.000 0.516 338 E N 1.265 120.855 120.200 -1.016 0.000 2.118 338 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 338 E C 2.406 178.848 176.600 -0.264 0.000 0.992 338 E CA 1.227 57.225 56.400 -0.670 0.000 0.804 338 E CB -0.382 28.936 29.700 -0.637 0.000 0.741 338 E HN 0.554 nan 8.360 nan 0.000 0.458 339 A N 1.020 123.583 122.820 -0.429 0.000 2.125 339 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 339 A C 2.274 179.508 177.584 -0.583 0.000 1.156 339 A CA 1.335 53.067 52.037 -0.509 0.000 0.671 339 A CB -0.492 18.098 19.000 -0.683 0.000 0.794 339 A HN 0.297 nan 8.150 nan 0.000 0.459 340 A N -1.236 121.231 122.820 -0.589 0.000 2.070 340 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 340 A C 1.387 178.735 177.584 -0.394 0.000 1.159 340 A CA 1.020 52.815 52.037 -0.404 0.000 0.656 340 A CB -0.597 18.149 19.000 -0.424 0.000 0.800 340 A HN 0.482 nan 8.150 nan 0.000 0.453 341 F N 0.669 120.612 119.950 -0.010 0.000 2.660 341 F HA 0.174 4.701 4.527 -0.000 0.000 0.302 341 F C 0.002 175.910 175.800 0.180 0.000 1.103 341 F CA -1.136 56.931 58.000 0.111 0.000 1.340 341 F CB -0.133 38.910 39.000 0.072 0.000 1.048 341 F HN 0.002 nan 8.300 nan 0.000 0.551 342 D N 1.413 121.902 120.400 0.149 0.000 2.472 342 D HA -0.020 4.620 4.640 -0.000 0.000 0.237 342 D C 0.643 176.992 176.300 0.082 0.000 1.141 342 D CA 0.643 54.694 54.000 0.084 0.000 0.875 342 D CB 0.574 41.381 40.800 0.012 0.000 1.192 342 D HN 0.298 nan 8.370 nan 0.000 0.450 343 D N 0.572 120.978 120.400 0.010 0.000 2.945 343 D HA 0.036 4.676 4.640 -0.000 0.000 0.366 343 D C -0.780 175.481 176.300 -0.064 0.000 1.352 343 D CA -0.541 53.401 54.000 -0.097 0.000 0.810 343 D CB -0.132 40.534 40.800 -0.224 0.000 1.170 343 D HN 0.291 nan 8.370 nan 0.000 0.461 344 D N -1.183 119.200 120.400 -0.029 0.000 2.494 344 D HA 0.218 4.858 4.640 -0.000 0.000 0.259 344 D C 0.710 177.000 176.300 -0.016 0.000 1.109 344 D CA -0.543 53.444 54.000 -0.022 0.000 1.040 344 D CB 0.822 41.615 40.800 -0.012 0.000 1.175 344 D HN -0.351 nan 8.370 nan 0.000 0.584 345 D N -1.028 119.364 120.400 -0.013 0.000 2.218 345 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 345 D C 1.733 178.029 176.300 -0.007 0.000 0.976 345 D CA 1.942 55.936 54.000 -0.010 0.000 0.853 345 D CB -0.531 40.263 40.800 -0.011 0.000 0.939 345 D HN 0.663 nan 8.370 nan 0.000 0.481 346 T N -2.619 111.933 114.554 -0.004 0.000 3.148 346 T HA 0.030 4.380 4.350 -0.000 0.000 0.253 346 T C 0.798 175.503 174.700 0.007 0.000 1.134 346 T CA 0.062 62.162 62.100 -0.000 0.000 1.051 346 T CB -0.169 68.700 68.868 0.001 0.000 0.959 346 T HN -0.180 nan 8.240 nan 0.000 0.525 347 T N 1.971 116.531 114.554 0.010 0.000 2.733 347 T HA 0.584 4.934 4.350 -0.000 0.000 0.294 347 T C 0.732 175.446 174.700 0.023 0.000 0.956 347 T CA -0.585 61.529 62.100 0.023 0.000 0.987 347 T CB 1.126 70.011 68.868 0.029 0.000 0.920 347 T HN 0.194 nan 8.240 nan 0.000 0.470 348 I N 1.341 121.925 120.570 0.023 0.000 3.578 348 I HA 0.337 4.507 4.170 -0.000 0.000 0.238 348 I C 0.590 176.733 176.117 0.043 0.000 1.080 348 I CA -0.157 61.157 61.300 0.023 0.000 1.538 348 I CB 0.254 38.253 38.000 -0.001 0.000 1.477 348 I HN 0.277 nan 8.210 nan 0.000 0.464 349 K N 1.643 122.064 120.400 0.036 0.000 2.345 349 K HA 0.408 4.728 4.320 -0.000 0.000 0.255 349 K C -0.722 175.906 176.600 0.047 0.000 0.934 349 K CA -0.344 55.983 56.287 0.066 0.000 0.801 349 K CB 1.459 34.017 32.500 0.096 0.000 1.137 349 K HN 0.362 nan 8.250 nan 0.000 0.424 350 T N 0.127 114.685 114.554 0.006 0.000 2.916 350 T HA 0.936 5.286 4.350 -0.000 0.000 0.292 350 T C -0.820 173.722 174.700 -0.263 0.000 1.064 350 T CA -0.845 61.213 62.100 -0.070 0.000 1.011 350 T CB 1.773 70.633 68.868 -0.013 0.000 1.152 350 T HN 0.593 nan 8.240 nan 0.000 0.510 351 A N 0.844 123.442 122.820 -0.369 0.000 2.594 351 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 351 A C -1.332 176.084 177.584 -0.280 0.000 1.105 351 A CA -1.083 50.622 52.037 -0.554 0.000 0.694 351 A CB 1.217 19.431 19.000 -1.310 0.000 1.291 351 A HN 0.911 nan 8.150 nan 0.000 0.410 352 I N 0.852 121.299 120.570 -0.204 0.000 2.404 352 I HA 0.356 4.526 4.170 -0.000 0.000 0.293 352 I C 0.062 176.140 176.117 -0.065 0.000 0.992 352 I CA -0.226 61.009 61.300 -0.109 0.000 1.149 352 I CB 1.882 39.832 38.000 -0.084 0.000 1.315 352 I HN 0.806 nan 8.210 nan 0.000 0.446 353 E N 5.036 125.172 120.200 -0.107 0.000 2.115 353 E HA 0.250 4.600 4.350 -0.000 0.000 0.282 353 E C -0.318 176.206 176.600 -0.127 0.000 0.987 353 E CA -0.301 56.080 56.400 -0.031 0.000 0.797 353 E CB 0.735 30.416 29.700 -0.031 0.000 1.086 353 E HN 0.480 nan 8.360 nan 0.000 0.397 354 F N 2.178 122.114 119.950 -0.024 0.000 2.387 354 F HA 0.074 4.601 4.527 -0.000 0.000 0.294 354 F C 1.005 176.774 175.800 -0.052 0.000 1.093 354 F CA 0.322 58.298 58.000 -0.039 0.000 1.420 354 F CB 0.515 39.481 39.000 -0.056 0.000 1.086 354 F HN 0.420 nan 8.300 nan 0.000 0.531 355 S N -1.722 114.048 115.700 0.116 0.000 2.595 355 S HA 0.505 4.975 4.470 -0.000 0.000 0.270 355 S C -0.611 174.011 174.600 0.036 0.000 1.145 355 S CA -0.631 57.595 58.200 0.043 0.000 0.825 355 S CB 1.266 64.466 63.200 0.000 0.000 1.107 355 S HN 0.072 nan 8.310 nan 0.000 0.461 356 T N -0.700 113.867 114.554 0.021 0.000 2.952 356 T HA 0.757 5.107 4.350 -0.000 0.000 0.286 356 T C 0.534 175.242 174.700 0.013 0.000 1.024 356 T CA -0.726 61.386 62.100 0.021 0.000 1.029 356 T CB 0.956 69.834 68.868 0.017 0.000 1.094 356 T HN 0.797 nan 8.240 nan 0.000 0.515 357 V N 0.000 119.922 119.914 0.013 0.000 2.409 357 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 357 V CA 0.000 62.304 62.300 0.007 0.000 1.235 357 V CB 0.000 31.827 31.823 0.007 0.000 1.184 357 V HN 0.000 nan 8.190 nan 0.000 0.556