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 2wp5_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMSKAFDLVV IGAGSGGLEA GWNAATLYGK RVAVVDVQTS HGPPFYAALG DATA SEQUENCE GTcVNVGcVP KKLMVTGAQY MDHLRESAGF GWEFDGSSVK ANWKKLIAAK DATA SEQUENCE NEAVLDINKS YEGMFNDTEG LDFFLGWGSL ESKNVVVVRE TADPKSAVKE DATA SEQUENCE RLQADHILLA TGSWPQMPAI PGIEHCISSN EAFYLPEPPR RVLTVGGGFI DATA SEQUENCE SVEFAGIFNA YKPPGGKVTL CYRNNLILRG FDETIREEVT KQLTANGIEI DATA SEQUENCE MTNENPAKVS LNTDGSKHVT FESGKTLDVD VVMMAIGRIP RTNDLQLGNV DATA SEQUENCE GVKLTPKGGV QVDEFSRTNV PNIYAIGDIT DRLMLTPVAI NEGAALVDTV DATA SEQUENCE FGNKPRKTDH TRVASAVFSI PPIGTCGLIE EVAAKEFEKV AVYMSSFTPL DATA SEQUENCE MHNISGSKYK KFVAKIVTNH SDGTVLGVHL LGDGAPEIIQ AVGVCLRLNA DATA SEQUENCE KISDFYNTIG VHPTSAEELC SMRTPSYYYV KGEKMEKL 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.333 175.328 0.008 0.000 0.993 0 H CA 0.000 56.057 56.048 0.016 0.000 1.023 0 H CB 0.000 29.769 29.762 0.011 0.000 1.292 1 M N 1.756 121.404 119.600 0.079 0.000 2.423 1 M HA 0.357 4.836 4.480 -0.001 0.000 0.335 1 M C 0.812 177.121 176.300 0.015 0.000 1.177 1 M CA -0.596 54.729 55.300 0.042 0.000 1.038 1 M CB 1.851 34.467 32.600 0.026 0.000 1.641 1 M HN 0.082 nan 8.290 nan 0.000 0.455 2 S N 1.709 117.409 115.700 -0.001 0.000 2.593 2 S HA 0.417 4.887 4.470 -0.001 0.000 0.269 2 S C -0.521 174.053 174.600 -0.043 0.000 1.334 2 S CA -0.785 57.402 58.200 -0.021 0.000 1.015 2 S CB 0.568 63.753 63.200 -0.025 0.000 0.912 2 S HN 0.568 nan 8.310 nan 0.000 0.541 3 K N 0.551 120.920 120.400 -0.053 0.000 2.156 3 K HA 0.736 5.055 4.320 -0.001 0.000 0.254 3 K C -0.454 175.948 176.600 -0.331 0.000 0.950 3 K CA -0.772 55.416 56.287 -0.165 0.000 0.849 3 K CB 1.801 34.273 32.500 -0.047 0.000 1.100 3 K HN 0.742 nan 8.250 nan 0.000 0.434 4 A N 2.092 124.567 122.820 -0.574 0.000 2.320 4 A HA 0.879 5.199 4.320 -0.001 0.000 0.334 4 A C -1.134 175.858 177.584 -0.987 0.000 1.147 4 A CA -0.580 51.154 52.037 -0.505 0.000 0.820 4 A CB 0.399 19.251 19.000 -0.247 0.000 1.218 4 A HN 0.589 nan 8.150 nan 0.000 0.482 5 F N -0.631 119.338 119.950 0.033 0.000 2.678 5 F HA 0.292 4.818 4.527 -0.001 0.000 0.308 5 F C 0.543 176.386 175.800 0.071 0.000 1.118 5 F CA -0.790 57.242 58.000 0.053 0.000 0.959 5 F CB 1.639 40.681 39.000 0.070 0.000 1.305 5 F HN 0.604 nan 8.300 nan 0.000 0.443 6 D N 0.662 121.219 120.400 0.263 0.000 2.144 6 D HA -0.049 4.591 4.640 -0.001 0.000 0.199 6 D C 0.051 176.576 176.300 0.375 0.000 0.984 6 D CA 1.788 55.941 54.000 0.254 0.000 0.834 6 D CB 0.480 41.340 40.800 0.100 0.000 0.955 6 D HN 0.236 nan 8.370 nan 0.000 0.465 7 L N 0.376 121.783 121.223 0.307 0.000 2.516 7 L HA 0.296 4.636 4.340 -0.001 0.000 0.267 7 L C -1.488 175.492 176.870 0.184 0.000 0.957 7 L CA -0.552 54.474 54.840 0.310 0.000 0.860 7 L CB 2.377 44.587 42.059 0.253 0.000 1.265 7 L HN -0.368 nan 8.230 nan 0.000 0.403 8 V N 5.386 125.399 119.914 0.166 0.000 2.435 8 V HA 0.624 4.744 4.120 -0.001 0.000 0.290 8 V C -0.438 175.703 176.094 0.078 0.000 1.030 8 V CA -0.621 61.703 62.300 0.039 0.000 0.881 8 V CB 1.875 33.695 31.823 -0.005 0.000 0.983 8 V HN 0.536 nan 8.190 nan 0.000 0.445 9 V N 6.228 126.170 119.914 0.045 0.000 2.417 9 V HA 0.495 4.614 4.120 -0.001 0.000 0.291 9 V C -0.179 175.939 176.094 0.040 0.000 1.024 9 V CA -0.440 61.908 62.300 0.080 0.000 0.861 9 V CB 1.744 33.632 31.823 0.108 0.000 0.985 9 V HN 0.682 nan 8.190 nan 0.000 0.436 10 I N 4.477 125.073 120.570 0.044 0.000 2.307 10 I HA 0.724 4.893 4.170 -0.001 0.000 0.287 10 I C 0.659 176.790 176.117 0.022 0.000 1.054 10 I CA -0.076 61.229 61.300 0.007 0.000 1.218 10 I CB 1.159 39.160 38.000 0.002 0.000 1.398 10 I HN 0.873 nan 8.210 nan 0.000 0.475 11 G N 4.400 113.210 108.800 0.017 0.000 3.084 11 G HA2 0.167 4.126 3.960 -0.001 0.000 0.543 11 G HA3 0.167 4.126 3.960 -0.001 0.000 0.543 11 G C -0.349 174.612 174.900 0.101 0.000 1.239 11 G CA -0.456 44.669 45.100 0.042 0.000 1.190 11 G HN 0.812 nan 8.290 nan 0.000 0.549 12 A N 1.496 124.399 122.820 0.139 0.000 3.117 12 A HA 0.729 5.049 4.320 -0.001 0.000 0.255 12 A C 1.344 179.024 177.584 0.160 0.000 1.583 12 A CA 1.144 53.306 52.037 0.209 0.000 1.234 12 A CB -0.342 18.853 19.000 0.325 0.000 1.076 12 A HN 1.892 nan 8.150 nan 0.000 0.653 13 G N -1.015 107.861 108.800 0.126 0.000 2.828 13 G HA2 0.397 4.357 3.960 -0.001 0.000 0.244 13 G HA3 0.397 4.357 3.960 -0.001 0.000 0.244 13 G C 1.052 176.002 174.900 0.083 0.000 1.365 13 G CA 0.447 45.616 45.100 0.114 0.000 1.041 13 G HN 0.223 nan 8.290 nan 0.000 0.560 14 S N -0.401 115.348 115.700 0.082 0.000 2.359 14 S HA -0.141 4.329 4.470 -0.001 0.000 0.223 14 S C 2.432 177.062 174.600 0.050 0.000 1.039 14 S CA 2.000 60.234 58.200 0.058 0.000 1.042 14 S CB -0.714 62.529 63.200 0.071 0.000 0.915 14 S HN 0.773 nan 8.310 nan 0.000 0.439 15 G N 0.847 109.690 108.800 0.071 0.000 2.404 15 G HA2 0.047 4.007 3.960 -0.001 0.000 0.214 15 G HA3 0.047 4.007 3.960 -0.001 0.000 0.214 15 G C 1.475 176.424 174.900 0.081 0.000 1.189 15 G CA 0.868 46.012 45.100 0.075 0.000 0.789 15 G HN 0.567 nan 8.290 nan 0.000 0.533 16 G N 1.223 110.080 108.800 0.094 0.000 2.586 16 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 16 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 16 G C 1.811 176.779 174.900 0.112 0.000 1.216 16 G CA 0.964 46.130 45.100 0.111 0.000 0.786 16 G HN 0.381 nan 8.290 nan 0.000 0.583 17 L N 0.243 121.519 121.223 0.089 0.000 2.081 17 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 17 L C 2.807 179.701 176.870 0.040 0.000 1.080 17 L CA 1.778 56.642 54.840 0.040 0.000 0.754 17 L CB -0.399 41.605 42.059 -0.091 0.000 0.893 17 L HN 0.335 nan 8.230 nan 0.000 0.433 18 E N 0.295 120.517 120.200 0.038 0.000 2.046 18 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 18 E C 2.151 178.824 176.600 0.121 0.000 0.982 18 E CA 1.317 57.756 56.400 0.066 0.000 0.800 18 E CB -0.073 29.650 29.700 0.038 0.000 0.756 18 E HN 0.338 nan 8.360 nan 0.000 0.449 19 A N 0.375 123.260 122.820 0.110 0.000 1.883 19 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 19 A C 2.468 180.130 177.584 0.130 0.000 1.186 19 A CA 2.022 54.133 52.037 0.123 0.000 0.624 19 A CB -1.490 17.581 19.000 0.118 0.000 0.822 19 A HN 0.426 nan 8.150 nan 0.000 0.444 20 G N -1.543 107.334 108.800 0.128 0.000 2.421 20 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 20 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 20 G C 1.541 176.492 174.900 0.084 0.000 1.171 20 G CA 0.948 46.114 45.100 0.110 0.000 0.775 20 G HN 0.683 nan 8.290 nan 0.000 0.543 21 W N 1.721 122.966 121.300 -0.092 0.000 2.358 21 W HA -0.094 4.565 4.660 -0.001 0.000 0.303 21 W C 1.924 178.386 176.519 -0.094 0.000 1.208 21 W CA 1.335 58.599 57.345 -0.136 0.000 1.274 21 W CB -0.285 29.071 29.460 -0.174 0.000 1.138 21 W HN 0.170 nan 8.180 nan 0.000 0.515 22 N N 0.911 119.680 118.700 0.115 0.000 2.166 22 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 22 N C 1.925 177.408 175.510 -0.045 0.000 1.019 22 N CA 2.380 55.443 53.050 0.022 0.000 0.856 22 N CB -0.896 37.669 38.487 0.130 0.000 0.993 22 N HN 0.191 nan 8.380 nan 0.000 0.426 23 A N 0.341 123.166 122.820 0.008 0.000 1.897 23 A HA 0.194 4.514 4.320 -0.001 0.000 0.215 23 A C 2.261 179.762 177.584 -0.138 0.000 1.181 23 A CA 1.593 53.620 52.037 -0.016 0.000 0.620 23 A CB -0.823 18.099 19.000 -0.130 0.000 0.821 23 A HN 0.287 nan 8.150 nan 0.000 0.443 24 A N -0.186 122.518 122.820 -0.194 0.000 1.855 24 A HA -0.070 4.250 4.320 -0.001 0.000 0.215 24 A C 2.459 179.834 177.584 -0.347 0.000 1.191 24 A CA 2.540 54.431 52.037 -0.242 0.000 0.613 24 A CB -1.348 17.508 19.000 -0.240 0.000 0.829 24 A HN 0.711 nan 8.150 nan 0.000 0.442 25 T N -2.323 111.893 114.554 -0.563 0.000 2.985 25 T HA 0.123 4.473 4.350 -0.001 0.000 0.266 25 T C 1.760 176.226 174.700 -0.391 0.000 1.076 25 T CA 1.266 63.007 62.100 -0.597 0.000 1.135 25 T CB -0.239 68.014 68.868 -1.025 0.000 0.890 25 T HN 0.239 nan 8.240 nan 0.000 0.480 26 L N -1.647 119.339 121.223 -0.394 0.000 2.221 26 L HA 0.274 4.614 4.340 -0.001 0.000 0.202 26 L C 1.484 178.073 176.870 -0.467 0.000 1.074 26 L CA 0.709 55.261 54.840 -0.479 0.000 0.795 26 L CB 0.095 41.717 42.059 -0.729 0.000 0.960 26 L HN 0.195 nan 8.230 nan 0.000 0.458 27 Y N -0.571 119.671 120.300 -0.096 0.000 2.557 27 Y HA 0.371 4.920 4.550 -0.001 0.000 0.247 27 Y C 1.475 177.319 175.900 -0.093 0.000 1.164 27 Y CA -0.301 57.761 58.100 -0.063 0.000 1.218 27 Y CB 0.170 38.620 38.460 -0.017 0.000 1.210 27 Y HN 0.149 nan 8.280 nan 0.000 0.529 28 G N 1.147 109.933 108.800 -0.024 0.000 2.321 28 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.287 28 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.287 28 G C 0.221 175.084 174.900 -0.062 0.000 1.018 28 G CA 0.115 45.184 45.100 -0.052 0.000 0.855 28 G HN 0.069 nan 8.290 nan 0.000 0.507 29 K N -0.311 120.015 120.400 -0.123 0.000 2.126 29 K HA 0.391 4.711 4.320 -0.001 0.000 0.257 29 K C 0.908 177.460 176.600 -0.080 0.000 1.007 29 K CA -0.601 55.584 56.287 -0.171 0.000 0.928 29 K CB 0.806 33.016 32.500 -0.484 0.000 1.013 29 K HN 0.353 nan 8.250 nan 0.000 0.473 30 R N 0.771 121.272 120.500 0.002 0.000 2.265 30 R HA 0.333 4.672 4.340 -0.001 0.000 0.314 30 R C -0.468 175.984 176.300 0.254 0.000 1.053 30 R CA -0.483 55.699 56.100 0.137 0.000 0.931 30 R CB 0.794 31.181 30.300 0.146 0.000 1.024 30 R HN 0.184 nan 8.270 nan 0.000 0.457 31 V N 2.019 122.083 119.914 0.250 0.000 2.656 31 V HA 0.638 4.758 4.120 -0.001 0.000 0.307 31 V C -0.430 175.642 176.094 -0.037 0.000 1.051 31 V CA -0.893 61.480 62.300 0.122 0.000 0.893 31 V CB 1.933 33.787 31.823 0.052 0.000 0.999 31 V HN 0.891 nan 8.190 nan 0.000 0.426 32 A N 4.013 126.610 122.820 -0.372 0.000 2.331 32 A HA 0.897 5.216 4.320 -0.001 0.000 0.320 32 A C -1.020 176.487 177.584 -0.128 0.000 1.138 32 A CA -0.559 51.184 52.037 -0.490 0.000 0.790 32 A CB 1.673 19.893 19.000 -1.301 0.000 1.206 32 A HN 0.689 nan 8.150 nan 0.000 0.470 33 V N 2.873 122.793 119.914 0.011 0.000 2.448 33 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 33 V C -0.367 175.623 176.094 -0.174 0.000 1.025 33 V CA -0.547 61.770 62.300 0.029 0.000 0.859 33 V CB 1.572 33.559 31.823 0.274 0.000 0.988 33 V HN 0.661 nan 8.190 nan 0.000 0.431 34 V N 3.888 123.704 119.914 -0.163 0.000 2.435 34 V HA 0.638 4.757 4.120 -0.001 0.000 0.290 34 V C -0.419 175.538 176.094 -0.227 0.000 1.030 34 V CA -0.292 61.832 62.300 -0.294 0.000 0.881 34 V CB 1.692 33.393 31.823 -0.203 0.000 0.983 34 V HN 0.945 nan 8.190 nan 0.000 0.445 35 D N 1.877 122.091 120.400 -0.311 0.000 2.583 35 D HA 0.323 4.962 4.640 -0.001 0.000 0.248 35 D C 0.433 176.601 176.300 -0.220 0.000 1.209 35 D CA -0.324 53.598 54.000 -0.131 0.000 0.848 35 D CB 2.945 43.863 40.800 0.196 0.000 1.431 35 D HN 0.375 nan 8.370 nan 0.000 0.436 36 V N -0.855 118.849 119.914 -0.349 0.000 3.406 36 V HA 0.321 4.441 4.120 -0.001 0.000 0.263 36 V C 0.408 176.469 176.094 -0.055 0.000 1.172 36 V CA 0.806 62.801 62.300 -0.508 0.000 1.140 36 V CB -0.150 30.987 31.823 -1.144 0.000 0.784 36 V HN 0.382 nan 8.190 nan 0.000 0.467 37 Q N -0.241 119.615 119.800 0.092 0.000 2.391 37 Q HA 0.372 4.711 4.340 -0.001 0.000 0.279 37 Q C 0.567 176.647 176.000 0.133 0.000 1.028 37 Q CA 0.346 56.242 55.803 0.155 0.000 0.836 37 Q CB 2.432 31.271 28.738 0.168 0.000 1.414 37 Q HN 0.424 nan 8.270 nan 0.000 0.397 38 T N -2.710 111.882 114.554 0.063 0.000 3.009 38 T HA 0.070 4.420 4.350 -0.001 0.000 0.258 38 T C 0.929 175.582 174.700 -0.077 0.000 1.063 38 T CA 0.764 62.821 62.100 -0.072 0.000 1.139 38 T CB 0.227 69.053 68.868 -0.070 0.000 0.890 38 T HN 0.391 nan 8.240 nan 0.000 0.471 39 S N 1.102 116.769 115.700 -0.055 0.000 2.638 39 S HA 0.541 5.011 4.470 -0.001 0.000 0.302 39 S C -0.273 174.285 174.600 -0.069 0.000 1.096 39 S CA -0.895 57.251 58.200 -0.090 0.000 0.953 39 S CB 1.061 64.156 63.200 -0.174 0.000 1.107 39 S HN 0.731 nan 8.310 nan 0.000 0.503 40 H N 0.104 119.179 119.070 0.008 0.000 2.745 40 H HA 0.695 5.251 4.556 -0.001 0.000 0.373 40 H C 0.815 176.131 175.328 -0.020 0.000 1.226 40 H CA 0.344 56.418 56.048 0.043 0.000 1.435 40 H CB -0.237 29.580 29.762 0.092 0.000 1.461 40 H HN 1.408 nan 8.280 nan 0.000 0.616 41 G N -0.173 108.698 108.800 0.117 0.000 2.434 41 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.671 41 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.671 41 G C -3.029 171.450 174.900 -0.700 0.000 1.280 41 G CA -0.763 44.119 45.100 -0.363 0.000 0.975 41 G HN 0.807 nan 8.290 nan 0.000 0.510 42 P HA 0.253 nan 4.420 nan 0.000 0.270 42 P C -1.979 174.957 177.300 -0.608 0.000 1.223 42 P CA -0.658 61.831 63.100 -1.018 0.000 0.785 42 P CB 0.586 31.870 31.700 -0.693 0.000 0.923 43 P HA 0.137 nan 4.420 nan 0.000 0.239 43 P C 0.475 177.465 177.300 -0.517 0.000 1.188 43 P CA 0.962 63.653 63.100 -0.682 0.000 0.794 43 P CB 0.016 31.204 31.700 -0.853 0.000 0.937 44 F N -3.187 116.745 119.950 -0.030 0.000 2.678 44 F HA 0.262 4.788 4.527 -0.001 0.000 0.305 44 F C 1.091 177.150 175.800 0.432 0.000 1.090 44 F CA -0.724 57.438 58.000 0.269 0.000 1.272 44 F CB -0.672 38.465 39.000 0.230 0.000 1.060 44 F HN -0.255 nan 8.300 nan 0.000 0.576 45 Y N -0.917 119.579 120.300 0.328 0.000 2.716 45 Y HA -0.412 4.137 4.550 -0.001 0.000 0.483 45 Y C 1.597 177.664 175.900 0.277 0.000 1.075 45 Y CA 0.393 58.661 58.100 0.280 0.000 2.997 45 Y CB -1.863 36.787 38.460 0.317 0.000 0.987 45 Y HN 0.034 nan 8.280 nan 0.000 0.578 46 A N 1.686 124.807 122.820 0.501 0.000 2.388 46 A HA 0.742 5.062 4.320 -0.001 0.000 0.257 46 A C 0.471 178.208 177.584 0.256 0.000 1.095 46 A CA 0.626 52.871 52.037 0.347 0.000 0.791 46 A CB 0.457 19.687 19.000 0.384 0.000 1.029 46 A HN 1.308 nan 8.150 nan 0.000 0.489 47 A N 0.950 123.883 122.820 0.188 0.000 3.201 47 A HA 0.614 4.933 4.320 -0.001 0.000 0.303 47 A C -0.678 176.986 177.584 0.133 0.000 1.173 47 A CA -0.594 51.529 52.037 0.142 0.000 0.621 47 A CB -0.237 18.836 19.000 0.122 0.000 1.468 47 A HN 1.829 nan 8.150 nan 0.000 0.632 48 L N 1.115 122.395 121.223 0.094 0.000 2.700 48 L HA 0.393 4.733 4.340 -0.001 0.000 0.276 48 L C 1.184 178.163 176.870 0.181 0.000 1.200 48 L CA 2.648 57.533 54.840 0.075 0.000 0.951 48 L CB -0.392 41.579 42.059 -0.147 0.000 1.226 48 L HN 1.973 nan 8.230 nan 0.000 0.489 49 G N 1.940 110.884 108.800 0.240 0.000 2.428 49 G HA2 0.234 4.193 3.960 -0.001 0.000 0.199 49 G HA3 0.234 4.193 3.960 -0.001 0.000 0.199 49 G C 1.018 176.037 174.900 0.198 0.000 1.005 49 G CA 0.119 45.411 45.100 0.319 0.000 0.671 49 G HN 2.030 nan 8.290 nan 0.000 0.485 50 G N -1.461 107.438 108.800 0.166 0.000 2.548 50 G HA2 0.192 4.151 3.960 -0.001 0.000 0.208 50 G HA3 0.192 4.151 3.960 -0.001 0.000 0.208 50 G C 0.611 175.599 174.900 0.147 0.000 1.308 50 G CA 0.735 45.925 45.100 0.149 0.000 0.924 50 G HN 1.120 nan 8.290 nan 0.000 0.540 51 T N -0.477 114.167 114.554 0.150 0.000 2.809 51 T HA -0.070 4.279 4.350 -0.001 0.000 0.260 51 T C 2.471 177.231 174.700 0.100 0.000 1.039 51 T CA 2.327 64.517 62.100 0.149 0.000 1.141 51 T CB -0.569 68.407 68.868 0.181 0.000 0.869 51 T HN 1.042 nan 8.240 nan 0.000 0.437 52 c N 1.366 120.029 118.600 0.105 0.000 2.363 52 c HA -0.129 4.440 4.570 -0.001 0.000 0.274 52 c C 2.731 176.836 174.090 0.026 0.000 1.183 52 c CA 1.126 57.503 56.329 0.079 0.000 1.771 52 c CB -1.180 41.382 42.510 0.086 0.000 2.059 52 c HN 0.380 nan 8.230 nan 0.000 0.455 53 V N 1.359 121.299 119.914 0.042 0.000 2.379 53 V HA -0.123 3.996 4.120 -0.001 0.000 0.245 53 V C 2.279 178.339 176.094 -0.056 0.000 1.044 53 V CA 2.277 64.580 62.300 0.005 0.000 1.036 53 V CB -0.670 31.195 31.823 0.069 0.000 0.664 53 V HN 0.583 nan 8.190 nan 0.000 0.453 54 N N 0.420 119.111 118.700 -0.014 0.000 2.336 54 N HA -0.004 4.736 4.740 -0.001 0.000 0.177 54 N C 0.911 176.305 175.510 -0.193 0.000 1.018 54 N CA 1.686 54.724 53.050 -0.020 0.000 0.878 54 N CB 0.883 39.447 38.487 0.129 0.000 0.997 54 N HN 0.534 nan 8.380 nan 0.000 0.433 55 V N -3.035 116.736 119.914 -0.237 0.000 3.028 55 V HA 0.683 4.803 4.120 -0.001 0.000 0.418 55 V C 0.244 176.134 176.094 -0.340 0.000 1.433 55 V CA -0.424 61.499 62.300 -0.627 0.000 1.543 55 V CB 0.581 32.301 31.823 -0.171 0.000 1.329 55 V HN 0.160 nan 8.190 nan 0.000 0.646 56 G N -0.079 108.598 108.800 -0.205 0.000 3.433 56 G HA2 0.231 4.190 3.960 -0.001 0.000 0.173 56 G HA3 0.231 4.190 3.960 -0.001 0.000 0.173 56 G C 0.878 175.830 174.900 0.086 0.000 1.196 56 G CA 0.692 45.841 45.100 0.082 0.000 1.062 56 G HN 0.317 nan 8.290 nan 0.000 0.699 57 c N 0.317 118.969 118.600 0.087 0.000 2.413 57 c HA 0.028 4.598 4.570 -0.001 0.000 0.276 57 c C 2.862 176.934 174.090 -0.029 0.000 1.236 57 c CA 1.032 57.402 56.329 0.068 0.000 1.735 57 c CB -1.392 41.162 42.510 0.072 0.000 2.031 57 c HN 0.248 nan 8.230 nan 0.000 0.474 58 V N 2.756 122.634 119.914 -0.060 0.000 2.244 58 V HA -0.116 4.003 4.120 -0.001 0.000 0.244 58 V C 0.252 176.261 176.094 -0.141 0.000 1.042 58 V CA 2.529 64.766 62.300 -0.107 0.000 1.006 58 V CB -1.939 29.824 31.823 -0.100 0.000 0.641 58 V HN 0.358 nan 8.190 nan 0.000 0.446 59 P HA -0.198 nan 4.420 nan 0.000 0.217 59 P C 1.421 178.694 177.300 -0.046 0.000 1.150 59 P CA 1.839 64.833 63.100 -0.177 0.000 0.832 59 P CB -0.069 31.401 31.700 -0.382 0.000 0.787 60 K N 1.116 121.545 120.400 0.048 0.000 2.057 60 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 60 K C 2.208 178.701 176.600 -0.179 0.000 1.050 60 K CA 1.673 57.951 56.287 -0.015 0.000 0.935 60 K CB -1.012 31.507 32.500 0.032 0.000 0.715 60 K HN -0.142 nan 8.250 nan 0.000 0.439 61 K N 1.166 121.428 120.400 -0.229 0.000 2.074 61 K HA -0.057 4.263 4.320 -0.001 0.000 0.209 61 K C 1.912 178.347 176.600 -0.275 0.000 1.048 61 K CA 1.674 57.724 56.287 -0.395 0.000 0.926 61 K CB -0.496 31.706 32.500 -0.497 0.000 0.713 61 K HN 0.321 nan 8.250 nan 0.000 0.444 62 L N -0.197 120.905 121.223 -0.201 0.000 2.012 62 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 62 L C 2.554 179.342 176.870 -0.137 0.000 1.073 62 L CA 1.856 56.602 54.840 -0.156 0.000 0.748 62 L CB -0.417 41.554 42.059 -0.147 0.000 0.891 62 L HN 0.266 nan 8.230 nan 0.000 0.431 63 M N -1.285 118.214 119.600 -0.168 0.000 2.229 63 M HA -0.140 4.340 4.480 -0.001 0.000 0.264 63 M C 2.168 178.412 176.300 -0.094 0.000 1.063 63 M CA 1.065 56.264 55.300 -0.169 0.000 1.114 63 M CB -0.330 32.105 32.600 -0.274 0.000 1.387 63 M HN 0.026 nan 8.290 nan 0.000 0.420 64 V N -0.113 119.710 119.914 -0.151 0.000 2.515 64 V HA -0.206 3.914 4.120 -0.001 0.000 0.250 64 V C 2.282 178.328 176.094 -0.080 0.000 1.058 64 V CA 2.047 64.283 62.300 -0.107 0.000 1.064 64 V CB -1.089 30.665 31.823 -0.115 0.000 0.675 64 V HN 0.492 nan 8.190 nan 0.000 0.461 65 T N 0.582 115.068 114.554 -0.114 0.000 2.674 65 T HA -0.136 4.214 4.350 -0.001 0.000 0.265 65 T C 2.002 176.638 174.700 -0.107 0.000 1.039 65 T CA 1.676 63.694 62.100 -0.136 0.000 1.150 65 T CB -0.766 68.030 68.868 -0.120 0.000 0.864 65 T HN 0.604 nan 8.240 nan 0.000 0.427 66 G N 1.439 110.294 108.800 0.092 0.000 2.491 66 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.218 66 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.218 66 G C 1.839 176.894 174.900 0.258 0.000 1.180 66 G CA 1.072 46.377 45.100 0.342 0.000 0.774 66 G HN 0.610 nan 8.290 nan 0.000 0.562 67 A N -0.151 122.800 122.820 0.218 0.000 2.076 67 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 67 A C 2.280 179.848 177.584 -0.026 0.000 1.160 67 A CA 2.073 54.166 52.037 0.093 0.000 0.653 67 A CB -0.339 18.723 19.000 0.103 0.000 0.801 67 A HN 0.502 nan 8.150 nan 0.000 0.455 68 Q N -2.039 117.699 119.800 -0.105 0.000 2.245 68 Q HA -0.077 4.262 4.340 -0.001 0.000 0.201 68 Q C 1.321 177.240 176.000 -0.135 0.000 0.955 68 Q CA 0.934 56.622 55.803 -0.191 0.000 0.870 68 Q CB -0.158 28.419 28.738 -0.268 0.000 0.945 68 Q HN 0.823 nan 8.270 nan 0.000 0.461 69 Y N -0.122 120.242 120.300 0.106 0.000 2.465 69 Y HA -0.224 4.326 4.550 -0.001 0.000 0.289 69 Y C 2.014 177.936 175.900 0.037 0.000 1.150 69 Y CA 0.946 59.117 58.100 0.119 0.000 1.293 69 Y CB -0.336 38.144 38.460 0.032 0.000 0.977 69 Y HN 0.219 nan 8.280 nan 0.000 0.556 70 M N -0.203 119.453 119.600 0.093 0.000 2.132 70 M HA -0.228 4.251 4.480 -0.001 0.000 0.263 70 M C 1.199 177.542 176.300 0.072 0.000 1.065 70 M CA 2.030 57.363 55.300 0.054 0.000 1.122 70 M CB -0.043 32.555 32.600 -0.004 0.000 1.365 70 M HN 0.113 nan 8.290 nan 0.000 0.411 71 D N -0.555 119.853 120.400 0.012 0.000 2.084 71 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 71 D C 1.930 178.255 176.300 0.042 0.000 0.985 71 D CA 1.237 55.234 54.000 -0.005 0.000 0.826 71 D CB -0.521 40.211 40.800 -0.113 0.000 0.978 71 D HN 0.395 nan 8.370 nan 0.000 0.456 72 H N 0.563 119.682 119.070 0.083 0.000 2.252 72 H HA -0.119 4.437 4.556 -0.001 0.000 0.292 72 H C 2.405 177.809 175.328 0.126 0.000 1.082 72 H CA 1.020 57.121 56.048 0.090 0.000 1.229 72 H CB -0.786 29.036 29.762 0.101 0.000 1.353 72 H HN 0.153 nan 8.280 nan 0.000 0.488 73 L N 0.073 121.464 121.223 0.281 0.000 1.971 73 L HA -0.220 4.120 4.340 -0.001 0.000 0.215 73 L C 2.826 179.933 176.870 0.394 0.000 1.072 73 L CA 1.760 56.777 54.840 0.296 0.000 0.758 73 L CB -0.638 41.580 42.059 0.265 0.000 0.889 73 L HN 0.199 nan 8.230 nan 0.000 0.433 74 R N 0.640 121.307 120.500 0.278 0.000 2.105 74 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 74 R C 2.013 178.446 176.300 0.222 0.000 1.135 74 R CA 1.625 57.855 56.100 0.216 0.000 0.967 74 R CB -0.071 30.320 30.300 0.152 0.000 0.861 74 R HN 0.447 nan 8.270 nan 0.000 0.442 75 E N -0.134 120.209 120.200 0.239 0.000 2.358 75 E HA -0.094 4.256 4.350 -0.001 0.000 0.195 75 E C 1.854 178.685 176.600 0.385 0.000 1.010 75 E CA 1.081 57.649 56.400 0.279 0.000 0.856 75 E CB 0.215 30.073 29.700 0.264 0.000 0.795 75 E HN 0.478 nan 8.360 nan 0.000 0.504 76 S N 0.767 116.687 115.700 0.366 0.000 2.402 76 S HA -0.075 4.394 4.470 -0.001 0.000 0.229 76 S C 2.244 177.174 174.600 0.551 0.000 1.021 76 S CA 0.686 59.156 58.200 0.451 0.000 0.974 76 S CB -0.101 63.266 63.200 0.278 0.000 0.800 76 S HN 0.258 nan 8.310 nan 0.000 0.484 77 A N 1.892 124.938 122.820 0.378 0.000 1.986 77 A HA 0.094 4.414 4.320 -0.001 0.000 0.220 77 A C 2.300 179.992 177.584 0.180 0.000 1.171 77 A CA 1.625 53.802 52.037 0.234 0.000 0.640 77 A CB -1.644 17.416 19.000 0.101 0.000 0.811 77 A HN 0.679 nan 8.150 nan 0.000 0.451 78 G N -2.260 106.652 108.800 0.186 0.000 2.484 78 G HA2 0.048 4.008 3.960 -0.001 0.000 0.218 78 G HA3 0.048 4.008 3.960 -0.001 0.000 0.218 78 G C 0.906 175.682 174.900 -0.207 0.000 1.130 78 G CA 0.648 45.729 45.100 -0.033 0.000 0.784 78 G HN 0.493 nan 8.290 nan 0.000 0.543 79 F N 0.049 120.110 119.950 0.184 0.000 2.639 79 F HA 0.390 4.917 4.527 -0.001 0.000 0.302 79 F C 1.717 177.589 175.800 0.122 0.000 1.097 79 F CA 0.243 58.353 58.000 0.182 0.000 1.294 79 F CB 0.928 40.084 39.000 0.259 0.000 1.027 79 F HN 0.182 nan 8.300 nan 0.000 0.550 80 G N -0.853 108.059 108.800 0.188 0.000 2.134 80 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.209 80 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.209 80 G C -0.346 174.510 174.900 -0.074 0.000 0.993 80 G CA -0.805 44.296 45.100 0.002 0.000 0.669 80 G HN 0.227 nan 8.290 nan 0.000 0.519 81 W N 1.211 122.611 121.300 0.167 0.000 2.315 81 W HA 0.643 5.302 4.660 -0.001 0.000 0.316 81 W C 0.535 177.154 176.519 0.166 0.000 1.211 81 W CA -0.447 57.023 57.345 0.208 0.000 1.201 81 W CB 0.773 30.407 29.460 0.291 0.000 1.184 81 W HN 0.194 nan 8.180 nan 0.000 0.544 82 E N 3.690 124.116 120.200 0.376 0.000 2.246 82 E HA 0.581 4.931 4.350 -0.001 0.000 0.266 82 E C -1.077 175.708 176.600 0.308 0.000 0.880 82 E CA -0.921 55.572 56.400 0.156 0.000 0.762 82 E CB 1.642 31.380 29.700 0.062 0.000 1.180 82 E HN 0.309 nan 8.360 nan 0.000 0.416 83 F N -1.442 118.582 119.950 0.125 0.000 2.741 83 F HA 0.371 4.898 4.527 -0.001 0.000 0.313 83 F C -0.826 175.016 175.800 0.070 0.000 1.153 83 F CA -1.617 56.441 58.000 0.098 0.000 0.931 83 F CB 0.734 39.798 39.000 0.106 0.000 1.335 83 F HN 0.157 nan 8.300 nan 0.000 0.460 84 D N 1.242 121.768 120.400 0.210 0.000 2.398 84 D HA 0.230 4.870 4.640 -0.001 0.000 0.250 84 D C 1.540 177.905 176.300 0.109 0.000 1.287 84 D CA 0.664 54.722 54.000 0.096 0.000 0.992 84 D CB 0.824 41.685 40.800 0.101 0.000 1.071 84 D HN 0.868 nan 8.370 nan 0.000 0.514 85 G N 2.543 111.312 108.800 -0.052 0.000 2.517 85 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.222 85 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.222 85 G C 1.388 176.328 174.900 0.067 0.000 1.109 85 G CA 1.120 46.210 45.100 -0.015 0.000 0.746 85 G HN 0.557 nan 8.290 nan 0.000 0.576 86 S N 0.316 116.047 115.700 0.053 0.000 2.558 86 S HA 0.049 4.519 4.470 -0.001 0.000 0.217 86 S C 2.126 176.765 174.600 0.064 0.000 0.975 86 S CA 1.024 59.254 58.200 0.050 0.000 0.912 86 S CB -0.182 63.037 63.200 0.032 0.000 0.776 86 S HN 0.491 nan 8.310 nan 0.000 0.526 87 S N 0.435 116.188 115.700 0.089 0.000 2.593 87 S HA 0.279 4.749 4.470 -0.001 0.000 0.217 87 S C 0.315 174.967 174.600 0.086 0.000 0.966 87 S CA -0.371 57.879 58.200 0.084 0.000 0.914 87 S CB -0.290 62.965 63.200 0.091 0.000 0.776 87 S HN 0.257 nan 8.310 nan 0.000 0.523 88 V N 2.786 122.762 119.914 0.103 0.000 2.455 88 V HA 0.366 4.485 4.120 -0.001 0.000 0.273 88 V C 0.059 176.193 176.094 0.066 0.000 1.045 88 V CA -0.220 62.137 62.300 0.095 0.000 0.976 88 V CB 0.752 32.658 31.823 0.139 0.000 0.993 88 V HN 0.502 nan 8.190 nan 0.000 0.475 89 K N 4.871 125.302 120.400 0.053 0.000 2.426 89 K HA 0.745 5.064 4.320 -0.001 0.000 0.254 89 K C -0.451 176.185 176.600 0.060 0.000 0.936 89 K CA -0.607 55.716 56.287 0.060 0.000 0.801 89 K CB 1.720 34.260 32.500 0.067 0.000 1.139 89 K HN 0.676 nan 8.250 nan 0.000 0.424 90 A N 4.220 127.077 122.820 0.062 0.000 2.437 90 A HA 0.148 4.468 4.320 -0.001 0.000 0.303 90 A C -0.407 177.356 177.584 0.299 0.000 1.324 90 A CA -0.553 51.528 52.037 0.073 0.000 0.983 90 A CB -0.210 18.703 19.000 -0.145 0.000 1.142 90 A HN 0.774 nan 8.150 nan 0.000 0.541 91 N N 3.504 122.389 118.700 0.308 0.000 2.555 91 N HA -0.039 4.701 4.740 -0.001 0.000 0.244 91 N C 0.846 176.584 175.510 0.379 0.000 1.114 91 N CA -0.634 52.593 53.050 0.296 0.000 0.963 91 N CB 0.047 38.634 38.487 0.168 0.000 1.276 91 N HN 0.859 nan 8.380 nan 0.000 0.510 92 W N 4.913 126.337 121.300 0.206 0.000 2.350 92 W HA -0.156 4.504 4.660 -0.001 0.000 0.289 92 W C 0.608 177.108 176.519 -0.031 0.000 1.215 92 W CA 1.034 58.381 57.345 0.004 0.000 1.236 92 W CB 0.301 29.780 29.460 0.032 0.000 1.130 92 W HN 0.490 nan 8.180 nan 0.000 0.541 93 K N 0.156 120.659 120.400 0.172 0.000 2.057 93 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 93 K C 2.079 178.646 176.600 -0.055 0.000 1.050 93 K CA 0.921 57.237 56.287 0.049 0.000 0.935 93 K CB -0.350 32.226 32.500 0.127 0.000 0.715 93 K HN -0.127 nan 8.250 nan 0.000 0.439 94 K N 1.333 121.727 120.400 -0.009 0.000 2.044 94 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 94 K C 2.205 178.740 176.600 -0.110 0.000 1.049 94 K CA 1.080 57.348 56.287 -0.032 0.000 0.927 94 K CB -0.564 31.947 32.500 0.017 0.000 0.713 94 K HN 0.082 nan 8.250 nan 0.000 0.443 95 L N 1.409 122.522 121.223 -0.183 0.000 2.012 95 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 95 L C 2.109 178.743 176.870 -0.394 0.000 1.073 95 L CA 1.581 56.235 54.840 -0.311 0.000 0.748 95 L CB -0.415 41.304 42.059 -0.567 0.000 0.891 95 L HN 0.077 nan 8.230 nan 0.000 0.431 96 I N -0.062 120.194 120.570 -0.523 0.000 2.252 96 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 96 I C 2.708 178.685 176.117 -0.233 0.000 1.102 96 I CA 1.377 62.398 61.300 -0.464 0.000 1.385 96 I CB -2.015 35.673 38.000 -0.519 0.000 1.064 96 I HN 0.366 nan 8.210 nan 0.000 0.414 97 A N 0.998 123.726 122.820 -0.153 0.000 1.940 97 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 97 A C 2.550 180.087 177.584 -0.078 0.000 1.176 97 A CA 2.075 54.069 52.037 -0.071 0.000 0.631 97 A CB -0.664 18.314 19.000 -0.037 0.000 0.814 97 A HN 0.426 nan 8.150 nan 0.000 0.446 98 A N -0.541 122.213 122.820 -0.110 0.000 1.897 98 A HA -0.073 4.247 4.320 -0.001 0.000 0.215 98 A C 2.154 179.662 177.584 -0.127 0.000 1.181 98 A CA 1.692 53.669 52.037 -0.100 0.000 0.620 98 A CB -0.373 18.571 19.000 -0.093 0.000 0.821 98 A HN 0.395 nan 8.150 nan 0.000 0.443 99 K N 0.256 120.547 120.400 -0.181 0.000 2.057 99 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 99 K C 1.478 177.939 176.600 -0.232 0.000 1.049 99 K CA 1.729 57.885 56.287 -0.217 0.000 0.931 99 K CB -0.377 31.958 32.500 -0.274 0.000 0.714 99 K HN 0.416 nan 8.250 nan 0.000 0.440 100 N N 1.457 120.044 118.700 -0.188 0.000 2.084 100 N HA -0.186 4.553 4.740 -0.001 0.000 0.190 100 N C 1.758 177.280 175.510 0.020 0.000 1.030 100 N CA 1.450 54.434 53.050 -0.111 0.000 0.849 100 N CB -0.399 38.155 38.487 0.111 0.000 1.012 100 N HN 0.350 nan 8.380 nan 0.000 0.423 101 E N 0.858 121.056 120.200 -0.004 0.000 2.077 101 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 101 E C 1.737 178.319 176.600 -0.030 0.000 0.989 101 E CA 1.384 57.785 56.400 0.001 0.000 0.800 101 E CB -0.299 29.390 29.700 -0.018 0.000 0.746 101 E HN 0.326 nan 8.360 nan 0.000 0.452 102 A N -0.048 122.728 122.820 -0.073 0.000 1.930 102 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 102 A C 2.445 179.963 177.584 -0.111 0.000 1.175 102 A CA 1.412 53.392 52.037 -0.094 0.000 0.627 102 A CB -0.556 18.379 19.000 -0.109 0.000 0.815 102 A HN 0.208 nan 8.150 nan 0.000 0.443 103 V N -0.366 119.463 119.914 -0.142 0.000 2.427 103 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 103 V C 2.447 178.542 176.094 0.003 0.000 1.051 103 V CA 1.787 63.999 62.300 -0.146 0.000 1.048 103 V CB -0.654 30.965 31.823 -0.341 0.000 0.666 103 V HN 0.576 nan 8.190 nan 0.000 0.456 104 L N 0.343 121.637 121.223 0.117 0.000 2.141 104 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 104 L C 1.978 178.840 176.870 -0.014 0.000 1.094 104 L CA 1.878 56.797 54.840 0.132 0.000 0.763 104 L CB -0.750 41.390 42.059 0.136 0.000 0.908 104 L HN 0.287 nan 8.230 nan 0.000 0.437 105 D N -0.238 120.131 120.400 -0.052 0.000 2.144 105 D HA -0.172 4.468 4.640 -0.001 0.000 0.199 105 D C 2.283 178.472 176.300 -0.184 0.000 0.984 105 D CA 1.751 55.692 54.000 -0.098 0.000 0.834 105 D CB -0.121 40.626 40.800 -0.089 0.000 0.955 105 D HN 0.441 nan 8.370 nan 0.000 0.465 106 I N 0.848 121.270 120.570 -0.247 0.000 2.226 106 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 106 I C 1.927 177.676 176.117 -0.613 0.000 1.100 106 I CA 0.920 61.920 61.300 -0.500 0.000 1.374 106 I CB -0.447 37.276 38.000 -0.461 0.000 1.057 106 I HN -0.007 nan 8.210 nan 0.000 0.413 107 N N 1.147 119.676 118.700 -0.286 0.000 2.018 107 N HA -0.233 4.506 4.740 -0.001 0.000 0.196 107 N C 1.856 177.294 175.510 -0.121 0.000 1.043 107 N CA 1.469 54.432 53.050 -0.145 0.000 0.856 107 N CB -0.126 38.329 38.487 -0.053 0.000 1.042 107 N HN 0.312 nan 8.380 nan 0.000 0.423 108 K N 0.397 120.732 120.400 -0.109 0.000 2.057 108 K HA -0.093 4.227 4.320 -0.001 0.000 0.207 108 K C 2.316 178.883 176.600 -0.055 0.000 1.049 108 K CA 1.017 57.261 56.287 -0.071 0.000 0.931 108 K CB -0.201 32.263 32.500 -0.061 0.000 0.714 108 K HN 0.061 nan 8.250 nan 0.000 0.440 109 S N -0.156 115.478 115.700 -0.110 0.000 2.402 109 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 109 S C 1.754 176.394 174.600 0.067 0.000 1.021 109 S CA 0.933 59.088 58.200 -0.075 0.000 0.974 109 S CB -0.137 62.961 63.200 -0.171 0.000 0.800 109 S HN 0.258 nan 8.310 nan 0.000 0.484 110 Y N 1.577 121.854 120.300 -0.038 0.000 2.337 110 Y HA 0.248 4.798 4.550 -0.001 0.000 0.293 110 Y C 2.411 178.348 175.900 0.063 0.000 1.123 110 Y CA 0.485 58.575 58.100 -0.016 0.000 1.201 110 Y CB -0.962 37.495 38.460 -0.004 0.000 1.011 110 Y HN 0.460 nan 8.280 nan 0.000 0.545 111 E N -0.265 120.031 120.200 0.160 0.000 2.204 111 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 111 E C 2.357 179.028 176.600 0.117 0.000 0.990 111 E CA 1.014 57.456 56.400 0.070 0.000 0.821 111 E CB -0.283 29.386 29.700 -0.051 0.000 0.750 111 E HN 0.472 nan 8.360 nan 0.000 0.477 112 G N 0.380 109.240 108.800 0.099 0.000 2.426 112 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.214 112 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.214 112 G C 1.489 176.456 174.900 0.112 0.000 1.156 112 G CA 0.308 45.458 45.100 0.084 0.000 0.802 112 G HN 0.151 nan 8.290 nan 0.000 0.534 113 M N -0.337 119.337 119.600 0.124 0.000 2.117 113 M HA 0.064 4.544 4.480 -0.001 0.000 0.262 113 M C 2.236 178.589 176.300 0.087 0.000 1.065 113 M CA 1.167 56.531 55.300 0.106 0.000 1.114 113 M CB -0.314 32.313 32.600 0.045 0.000 1.361 113 M HN 0.224 nan 8.290 nan 0.000 0.408 114 F N 1.120 121.131 119.950 0.101 0.000 2.046 114 F HA -0.281 4.245 4.527 -0.001 0.000 0.297 114 F C 2.235 178.066 175.800 0.052 0.000 1.123 114 F CA 1.693 59.740 58.000 0.080 0.000 1.199 114 F CB -0.960 38.075 39.000 0.059 0.000 0.972 114 F HN 0.213 nan 8.300 nan 0.000 0.474 115 N N 0.130 118.968 118.700 0.230 0.000 2.192 115 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 115 N C 0.984 176.547 175.510 0.087 0.000 1.013 115 N CA 1.690 54.816 53.050 0.126 0.000 0.863 115 N CB -0.597 37.942 38.487 0.087 0.000 0.990 115 N HN 0.394 nan 8.380 nan 0.000 0.430 116 D N -0.847 119.602 120.400 0.082 0.000 2.349 116 D HA 0.046 4.686 4.640 -0.001 0.000 0.214 116 D C -0.097 176.219 176.300 0.027 0.000 1.063 116 D CA 0.310 54.342 54.000 0.053 0.000 0.847 116 D CB 0.115 40.948 40.800 0.055 0.000 0.933 116 D HN 0.032 nan 8.370 nan 0.000 0.513 117 T N 1.522 116.088 114.554 0.019 0.000 2.744 117 T HA 0.160 4.510 4.350 -0.001 0.000 0.291 117 T C 0.127 174.802 174.700 -0.041 0.000 0.957 117 T CA -0.515 61.547 62.100 -0.064 0.000 1.002 117 T CB 2.133 70.904 68.868 -0.162 0.000 0.919 117 T HN -0.213 nan 8.240 nan 0.000 0.468 118 E N 1.978 122.139 120.200 -0.064 0.000 2.415 118 E HA 0.351 4.701 4.350 -0.001 0.000 0.260 118 E C 1.308 177.887 176.600 -0.036 0.000 1.016 118 E CA 0.801 57.179 56.400 -0.037 0.000 0.924 118 E CB -0.220 29.450 29.700 -0.049 0.000 0.961 118 E HN 0.921 nan 8.360 nan 0.000 0.459 119 G N 3.533 112.351 108.800 0.031 0.000 2.148 119 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.254 119 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.254 119 G C -0.176 174.779 174.900 0.091 0.000 0.981 119 G CA 0.359 45.502 45.100 0.071 0.000 0.670 119 G HN 0.460 nan 8.290 nan 0.000 0.528 120 L N 1.485 122.756 121.223 0.080 0.000 2.337 120 L HA 0.710 5.049 4.340 -0.001 0.000 0.269 120 L C -1.168 175.896 176.870 0.324 0.000 1.018 120 L CA -1.033 53.884 54.840 0.129 0.000 0.876 120 L CB 1.288 43.320 42.059 -0.045 0.000 1.236 120 L HN 0.043 nan 8.230 nan 0.000 0.436 121 D N 3.577 124.170 120.400 0.322 0.000 2.350 121 D HA 0.308 4.948 4.640 -0.001 0.000 0.245 121 D C -1.140 175.112 176.300 -0.080 0.000 1.036 121 D CA 0.068 54.175 54.000 0.179 0.000 0.848 121 D CB 1.953 42.790 40.800 0.062 0.000 1.307 121 D HN 0.255 nan 8.370 nan 0.000 0.469 122 F N 2.441 122.008 119.950 -0.639 0.000 2.405 122 F HA 0.472 4.999 4.527 -0.001 0.000 0.355 122 F C -1.177 174.123 175.800 -0.833 0.000 1.121 122 F CA -0.628 56.796 58.000 -0.960 0.000 1.112 122 F CB 0.279 38.476 39.000 -1.339 0.000 1.126 122 F HN 0.111 nan 8.300 nan 0.000 0.481 123 F N 6.053 125.372 119.950 -1.051 0.000 2.492 123 F HA 0.542 5.069 4.527 -0.001 0.000 0.327 123 F C -0.785 174.261 175.800 -1.256 0.000 1.079 123 F CA -1.115 56.381 58.000 -0.840 0.000 0.967 123 F CB 1.682 40.405 39.000 -0.462 0.000 1.169 123 F HN 0.305 nan 8.300 nan 0.000 0.472 124 L N 2.462 123.392 121.223 -0.489 0.000 2.280 124 L HA 0.909 5.248 4.340 -0.001 0.000 0.287 124 L C -0.209 176.568 176.870 -0.154 0.000 1.023 124 L CA 0.318 54.974 54.840 -0.307 0.000 0.819 124 L CB 0.658 42.716 42.059 -0.001 0.000 1.212 124 L HN 0.767 nan 8.230 nan 0.000 0.420 125 G N 2.919 111.590 108.800 -0.215 0.000 2.352 125 G HA2 0.032 3.992 3.960 -0.001 0.000 0.283 125 G HA3 0.032 3.992 3.960 -0.001 0.000 0.283 125 G C -2.221 172.482 174.900 -0.328 0.000 1.308 125 G CA -0.836 44.175 45.100 -0.148 0.000 0.892 125 G HN 0.445 nan 8.290 nan 0.000 0.504 126 W N 1.025 122.245 121.300 -0.133 0.000 2.314 126 W HA 0.591 5.251 4.660 0.000 0.000 0.310 126 W C 0.650 177.099 176.519 -0.116 0.000 1.075 126 W CA 0.254 57.511 57.345 -0.148 0.000 1.253 126 W CB 1.886 31.244 29.460 -0.171 0.000 1.238 126 W HN 0.837 nan 8.180 nan 0.000 0.440 127 G N 2.236 111.058 108.800 0.037 0.000 2.332 127 G HA2 0.559 4.519 3.960 -0.001 0.000 0.310 127 G HA3 0.559 4.519 3.960 -0.001 0.000 0.310 127 G C -0.535 174.389 174.900 0.041 0.000 1.123 127 G CA -0.433 44.669 45.100 0.004 0.000 0.873 127 G HN 0.417 nan 8.290 nan 0.000 0.460 128 S N 0.945 116.659 115.700 0.024 0.000 2.651 128 S HA 0.697 5.166 4.470 -0.001 0.000 0.279 128 S C -1.198 173.405 174.600 0.005 0.000 1.148 128 S CA -0.898 57.315 58.200 0.021 0.000 0.837 128 S CB 1.694 64.906 63.200 0.021 0.000 1.138 128 S HN 0.347 nan 8.310 nan 0.000 0.478 129 L N 1.717 122.943 121.223 0.004 0.000 2.257 129 L HA 0.540 4.880 4.340 -0.001 0.000 0.290 129 L C 1.257 178.124 176.870 -0.006 0.000 1.044 129 L CA 0.061 54.901 54.840 -0.001 0.000 0.810 129 L CB 1.077 43.136 42.059 0.001 0.000 1.193 129 L HN 1.052 nan 8.230 nan 0.000 0.425 130 E N 1.444 121.639 120.200 -0.008 0.000 2.099 130 E HA 0.089 4.439 4.350 -0.001 0.000 0.191 130 E C 0.149 176.742 176.600 -0.011 0.000 0.962 130 E CA 0.581 56.975 56.400 -0.010 0.000 0.826 130 E CB 0.562 30.255 29.700 -0.012 0.000 0.788 130 E HN 0.669 nan 8.360 nan 0.000 0.461 131 S N -1.567 114.126 115.700 -0.012 0.000 2.656 131 S HA 0.281 4.751 4.470 -0.001 0.000 0.273 131 S C 0.293 174.883 174.600 -0.016 0.000 1.168 131 S CA -0.892 57.300 58.200 -0.014 0.000 0.817 131 S CB 1.275 64.466 63.200 -0.014 0.000 1.146 131 S HN 0.035 nan 8.310 nan 0.000 0.475 132 K N 0.273 120.659 120.400 -0.022 0.000 2.304 132 K HA -0.141 4.179 4.320 -0.001 0.000 0.204 132 K C 0.129 176.712 176.600 -0.028 0.000 1.044 132 K CA 1.833 58.101 56.287 -0.031 0.000 0.932 132 K CB -0.488 31.988 32.500 -0.040 0.000 0.735 132 K HN 0.672 nan 8.250 nan 0.000 0.468 133 N N -1.020 117.670 118.700 -0.018 0.000 2.240 133 N HA 0.091 4.830 4.740 -0.001 0.000 0.240 133 N C -1.693 173.820 175.510 0.005 0.000 1.277 133 N CA -0.237 52.807 53.050 -0.009 0.000 0.873 133 N CB 1.722 40.198 38.487 -0.018 0.000 1.222 133 N HN -0.201 nan 8.380 nan 0.000 0.507 134 V N 0.944 120.859 119.914 0.002 0.000 2.612 134 V HA 0.397 4.517 4.120 -0.001 0.000 0.301 134 V C -0.481 175.611 176.094 -0.004 0.000 1.059 134 V CA -0.874 61.427 62.300 0.002 0.000 0.886 134 V CB 2.170 33.989 31.823 -0.007 0.000 1.007 134 V HN -0.249 nan 8.190 nan 0.000 0.426 135 V N 5.270 125.179 119.914 -0.008 0.000 2.472 135 V HA 0.506 4.625 4.120 -0.001 0.000 0.290 135 V C -0.082 175.984 176.094 -0.046 0.000 1.037 135 V CA -0.469 61.815 62.300 -0.026 0.000 0.908 135 V CB 2.073 33.875 31.823 -0.035 0.000 0.985 135 V HN 0.631 nan 8.190 nan 0.000 0.454 136 V N 5.540 125.432 119.914 -0.038 0.000 2.435 136 V HA 0.433 4.552 4.120 -0.001 0.000 0.290 136 V C -0.201 175.868 176.094 -0.041 0.000 1.030 136 V CA -0.536 61.740 62.300 -0.040 0.000 0.881 136 V CB 1.940 33.751 31.823 -0.020 0.000 0.983 136 V HN 0.592 nan 8.190 nan 0.000 0.445 137 V N 6.355 126.235 119.914 -0.058 0.000 2.334 137 V HA 0.516 4.636 4.120 -0.001 0.000 0.281 137 V C 0.242 176.340 176.094 0.005 0.000 1.016 137 V CA -0.597 61.678 62.300 -0.042 0.000 0.832 137 V CB 1.173 32.933 31.823 -0.104 0.000 0.999 137 V HN 0.819 nan 8.190 nan 0.000 0.439 138 R N 2.291 122.826 120.500 0.058 0.000 2.797 138 R HA 0.498 4.837 4.340 -0.001 0.000 0.251 138 R C 0.720 177.101 176.300 0.136 0.000 1.107 138 R CA -0.735 55.407 56.100 0.070 0.000 1.084 138 R CB 1.693 32.017 30.300 0.041 0.000 1.205 138 R HN 0.680 nan 8.270 nan 0.000 0.515 139 E N -0.159 120.102 120.200 0.102 0.000 2.170 139 E HA -0.042 4.308 4.350 -0.001 0.000 0.191 139 E C 0.417 177.126 176.600 0.183 0.000 0.981 139 E CA 1.002 57.490 56.400 0.147 0.000 0.830 139 E CB 0.487 30.241 29.700 0.091 0.000 0.775 139 E HN 0.609 nan 8.360 nan 0.000 0.470 140 T N -4.130 110.396 114.554 -0.048 0.000 2.804 140 T HA 0.571 4.921 4.350 -0.001 0.000 0.290 140 T C 0.887 175.058 174.700 -0.881 0.000 1.099 140 T CA -0.283 61.519 62.100 -0.497 0.000 1.011 140 T CB 1.435 70.120 68.868 -0.305 0.000 1.291 140 T HN -0.119 nan 8.240 nan 0.000 0.523 141 A N 0.043 122.026 122.820 -1.396 0.000 2.019 141 A HA 0.083 4.403 4.320 -0.001 0.000 0.219 141 A C 1.119 178.393 177.584 -0.516 0.000 1.164 141 A CA 1.136 52.450 52.037 -1.206 0.000 0.644 141 A CB -0.991 17.241 19.000 -1.280 0.000 0.805 141 A HN 0.868 nan 8.150 nan 0.000 0.449 142 D N 0.305 120.474 120.400 -0.386 0.000 2.401 142 D HA 0.074 4.713 4.640 -0.001 0.000 0.254 142 D C -1.556 174.651 176.300 -0.156 0.000 1.192 142 D CA -1.524 52.346 54.000 -0.216 0.000 0.885 142 D CB 1.076 41.777 40.800 -0.165 0.000 1.147 142 D HN 0.146 nan 8.370 nan 0.000 0.478 143 P HA -0.090 nan 4.420 nan 0.000 0.236 143 P C 0.553 177.820 177.300 -0.055 0.000 1.172 143 P CA 0.755 63.813 63.100 -0.071 0.000 0.759 143 P CB 0.319 31.986 31.700 -0.054 0.000 0.843 144 K N -0.092 120.272 120.400 -0.060 0.000 2.361 144 K HA 0.087 4.407 4.320 -0.001 0.000 0.194 144 K C 1.081 177.658 176.600 -0.039 0.000 1.032 144 K CA 0.031 56.292 56.287 -0.043 0.000 1.048 144 K CB 0.161 32.637 32.500 -0.040 0.000 0.842 144 K HN 0.204 nan 8.250 nan 0.000 0.526 145 S N 1.167 116.835 115.700 -0.053 0.000 2.572 145 S HA 0.204 4.673 4.470 -0.001 0.000 0.267 145 S C 0.449 175.040 174.600 -0.015 0.000 1.361 145 S CA -0.743 57.434 58.200 -0.038 0.000 1.009 145 S CB 0.805 63.971 63.200 -0.057 0.000 0.888 145 S HN 0.217 nan 8.310 nan 0.000 0.553 146 A N 1.492 124.312 122.820 0.001 0.000 2.498 146 A HA 0.425 4.744 4.320 -0.001 0.000 0.239 146 A C 0.232 177.826 177.584 0.017 0.000 1.068 146 A CA -0.587 51.456 52.037 0.011 0.000 0.766 146 A CB -0.260 18.753 19.000 0.021 0.000 1.003 146 A HN 0.858 nan 8.150 nan 0.000 0.497 147 V N 3.504 123.426 119.914 0.014 0.000 2.555 147 V HA 0.092 4.211 4.120 -0.001 0.000 0.286 147 V C 1.013 177.121 176.094 0.023 0.000 1.044 147 V CA 0.256 62.565 62.300 0.013 0.000 1.026 147 V CB 1.091 32.917 31.823 0.005 0.000 0.981 147 V HN 1.064 nan 8.190 nan 0.000 0.480 148 K N 2.844 123.257 120.400 0.021 0.000 2.262 148 K HA 0.308 4.627 4.320 -0.001 0.000 0.200 148 K C 0.105 176.709 176.600 0.006 0.000 1.058 148 K CA 0.285 56.589 56.287 0.027 0.000 0.974 148 K CB 0.528 33.050 32.500 0.038 0.000 0.910 148 K HN 0.646 nan 8.250 nan 0.000 0.484 149 E N 0.753 120.930 120.200 -0.039 0.000 2.413 149 E HA 0.339 4.689 4.350 -0.001 0.000 0.277 149 E C -1.049 175.493 176.600 -0.096 0.000 0.958 149 E CA -0.669 55.679 56.400 -0.086 0.000 0.779 149 E CB 2.458 32.034 29.700 -0.207 0.000 1.278 149 E HN 0.005 nan 8.360 nan 0.000 0.456 150 R N 1.031 121.480 120.500 -0.085 0.000 2.514 150 R HA 0.589 4.929 4.340 -0.001 0.000 0.301 150 R C -0.578 175.670 176.300 -0.086 0.000 0.962 150 R CA -0.668 55.388 56.100 -0.072 0.000 0.882 150 R CB 1.264 31.543 30.300 -0.036 0.000 1.143 150 R HN 0.318 nan 8.270 nan 0.000 0.452 151 L N 2.930 124.110 121.223 -0.071 0.000 2.343 151 L HA 0.368 4.707 4.340 -0.001 0.000 0.278 151 L C -0.027 176.896 176.870 0.088 0.000 0.996 151 L CA -0.633 54.214 54.840 0.012 0.000 0.831 151 L CB 1.942 43.931 42.059 -0.118 0.000 1.232 151 L HN 0.412 nan 8.230 nan 0.000 0.413 152 Q N 2.259 122.128 119.800 0.114 0.000 2.327 152 Q HA 0.655 4.995 4.340 -0.001 0.000 0.254 152 Q C -0.473 175.623 176.000 0.161 0.000 0.952 152 Q CA -0.236 55.614 55.803 0.079 0.000 0.884 152 Q CB 1.937 30.681 28.738 0.010 0.000 1.224 152 Q HN 0.738 nan 8.270 nan 0.000 0.422 153 A N 2.733 125.620 122.820 0.112 0.000 2.459 153 A HA 0.266 4.585 4.320 -0.001 0.000 0.296 153 A C -0.668 176.959 177.584 0.071 0.000 1.039 153 A CA -0.669 51.456 52.037 0.146 0.000 0.698 153 A CB 1.274 20.367 19.000 0.155 0.000 1.261 153 A HN 0.731 nan 8.150 nan 0.000 0.405 154 D N 0.564 121.001 120.400 0.062 0.000 2.183 154 D HA 0.035 4.674 4.640 -0.001 0.000 0.203 154 D C 0.113 176.233 176.300 -0.301 0.000 0.969 154 D CA 1.652 55.580 54.000 -0.121 0.000 0.842 154 D CB 0.092 40.811 40.800 -0.135 0.000 0.957 154 D HN 0.630 nan 8.370 nan 0.000 0.484 155 H N -0.866 118.340 119.070 0.226 0.000 2.717 155 H HA 0.477 5.032 4.556 -0.001 0.000 0.366 155 H C -0.380 175.097 175.328 0.248 0.000 1.132 155 H CA -0.608 55.613 56.048 0.288 0.000 1.180 155 H CB 1.924 31.997 29.762 0.517 0.000 1.678 155 H HN -0.156 nan 8.280 nan 0.000 0.537 156 I N 3.232 123.983 120.570 0.302 0.000 2.466 156 I HA 0.140 4.310 4.170 -0.001 0.000 0.289 156 I C -0.829 175.454 176.117 0.276 0.000 1.026 156 I CA -0.833 60.595 61.300 0.214 0.000 1.078 156 I CB 2.338 40.389 38.000 0.087 0.000 1.249 156 I HN 0.154 nan 8.210 nan 0.000 0.429 157 L N 7.791 129.168 121.223 0.256 0.000 2.319 157 L HA 0.524 4.864 4.340 -0.001 0.000 0.281 157 L C -0.992 175.971 176.870 0.155 0.000 1.005 157 L CA -0.250 54.740 54.840 0.251 0.000 0.828 157 L CB 1.228 43.435 42.059 0.246 0.000 1.227 157 L HN 0.451 nan 8.230 nan 0.000 0.415 158 L N 6.295 127.601 121.223 0.138 0.000 2.363 158 L HA 0.536 4.875 4.340 -0.001 0.000 0.286 158 L C 0.677 177.609 176.870 0.104 0.000 1.106 158 L CA -0.033 54.867 54.840 0.100 0.000 0.859 158 L CB 0.665 42.775 42.059 0.084 0.000 1.223 158 L HN 0.866 nan 8.230 nan 0.000 0.446 159 A N 1.252 124.128 122.820 0.094 0.000 2.812 159 A HA 0.238 4.557 4.320 -0.001 0.000 0.294 159 A C 1.148 178.786 177.584 0.090 0.000 1.014 159 A CA -0.206 51.890 52.037 0.098 0.000 1.024 159 A CB -0.186 18.876 19.000 0.104 0.000 1.162 159 A HN 0.702 nan 8.150 nan 0.000 0.511 160 T N -3.176 111.429 114.554 0.084 0.000 3.148 160 T HA 0.416 4.766 4.350 -0.001 0.000 0.253 160 T C 1.351 176.120 174.700 0.116 0.000 1.134 160 T CA 0.966 63.112 62.100 0.077 0.000 1.051 160 T CB -0.376 68.528 68.868 0.059 0.000 0.959 160 T HN 1.901 nan 8.240 nan 0.000 0.525 161 G N 1.728 110.607 108.800 0.131 0.000 2.552 161 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.265 161 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.265 161 G C 0.027 175.041 174.900 0.190 0.000 1.234 161 G CA 0.224 45.421 45.100 0.162 0.000 0.944 161 G HN 1.529 nan 8.290 nan 0.000 0.568 162 S N -1.756 114.089 115.700 0.242 0.000 2.851 162 S HA 0.832 5.301 4.470 -0.001 0.000 0.317 162 S C -0.836 174.029 174.600 0.442 0.000 1.144 162 S CA 0.148 58.517 58.200 0.282 0.000 0.862 162 S CB 2.617 65.947 63.200 0.217 0.000 1.259 162 S HN 1.745 nan 8.310 nan 0.000 0.564 163 W N 0.588 121.956 121.300 0.112 0.000 3.213 163 W HA 0.419 5.079 4.660 -0.001 0.000 0.318 163 W C -3.403 173.169 176.519 0.088 0.000 1.248 163 W CA -2.172 55.240 57.345 0.112 0.000 1.187 163 W CB 1.796 31.327 29.460 0.118 0.000 1.403 163 W HN 0.487 nan 8.180 nan 0.000 0.556 164 P HA 0.016 nan 4.420 nan 0.000 0.271 164 P C -0.813 176.470 177.300 -0.027 0.000 1.220 164 P CA 0.402 63.382 63.100 -0.201 0.000 0.768 164 P CB 0.661 32.153 31.700 -0.347 0.000 0.848 165 Q N 3.135 122.954 119.800 0.031 0.000 2.293 165 Q HA 0.234 4.574 4.340 -0.001 0.000 0.263 165 Q C -0.668 175.351 176.000 0.032 0.000 1.002 165 Q CA -0.158 55.685 55.803 0.067 0.000 0.910 165 Q CB 0.306 29.083 28.738 0.065 0.000 1.185 165 Q HN 0.341 nan 8.270 nan 0.000 0.401 166 M N 5.717 125.346 119.600 0.048 0.000 2.238 166 M HA 0.436 4.916 4.480 -0.001 0.000 0.350 166 M C -2.189 174.127 176.300 0.027 0.000 1.138 166 M CA -2.240 53.075 55.300 0.025 0.000 1.040 166 M CB 0.786 33.403 32.600 0.028 0.000 1.639 166 M HN 0.516 nan 8.290 nan 0.000 0.451 167 P HA 0.426 nan 4.420 nan 0.000 0.286 167 P C -0.957 176.347 177.300 0.006 0.000 1.261 167 P CA -0.603 62.505 63.100 0.013 0.000 0.821 167 P CB 0.707 32.411 31.700 0.007 0.000 1.013 168 A N 4.261 127.087 122.820 0.009 0.000 2.545 168 A HA 0.457 4.777 4.320 -0.001 0.000 0.297 168 A C 0.558 178.140 177.584 -0.004 0.000 1.340 168 A CA -0.198 51.842 52.037 0.004 0.000 1.016 168 A CB -1.475 17.529 19.000 0.007 0.000 1.122 168 A HN 0.575 nan 8.150 nan 0.000 0.537 169 I N -0.340 120.224 120.570 -0.011 0.000 2.769 169 I HA 0.607 4.776 4.170 -0.001 0.000 0.298 169 I C -2.978 173.128 176.117 -0.018 0.000 1.128 169 I CA -3.063 58.227 61.300 -0.017 0.000 1.031 169 I CB 2.167 40.150 38.000 -0.028 0.000 1.235 169 I HN 0.133 nan 8.210 nan 0.000 0.423 170 P HA 0.167 nan 4.420 nan 0.000 0.264 170 P C 0.788 178.089 177.300 0.001 0.000 1.183 170 P CA 0.928 64.023 63.100 -0.008 0.000 0.763 170 P CB 0.574 32.273 31.700 -0.002 0.000 0.807 171 G N 2.834 111.633 108.800 -0.000 0.000 2.143 171 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.248 171 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.248 171 G C 0.738 175.631 174.900 -0.012 0.000 0.991 171 G CA 0.107 45.231 45.100 0.040 0.000 0.689 171 G HN 0.560 nan 8.290 nan 0.000 0.522 172 I N 1.366 121.907 120.570 -0.048 0.000 2.700 172 I HA -0.029 4.141 4.170 -0.001 0.000 0.261 172 I C 2.403 178.480 176.117 -0.067 0.000 1.219 172 I CA 1.990 63.265 61.300 -0.041 0.000 1.463 172 I CB -0.021 37.962 38.000 -0.028 0.000 1.092 172 I HN 0.468 nan 8.210 nan 0.000 0.452 173 E N -1.021 119.081 120.200 -0.163 0.000 2.435 173 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 173 E C 1.255 177.748 176.600 -0.179 0.000 1.029 173 E CA 0.927 57.218 56.400 -0.182 0.000 0.865 173 E CB -0.858 28.704 29.700 -0.230 0.000 0.833 173 E HN 0.555 nan 8.360 nan 0.000 0.510 174 H N -0.014 119.046 119.070 -0.017 0.000 2.547 174 H HA 0.188 4.744 4.556 -0.001 0.000 0.266 174 H C 0.276 175.580 175.328 -0.040 0.000 0.988 174 H CA -0.149 55.884 56.048 -0.026 0.000 1.147 174 H CB -0.100 29.643 29.762 -0.031 0.000 1.365 174 H HN 0.132 nan 8.280 nan 0.000 0.589 175 C N 1.110 120.437 119.300 0.046 0.000 2.401 175 C HA 0.606 5.066 4.460 -0.001 0.000 0.356 175 C C 1.145 176.121 174.990 -0.024 0.000 1.192 175 C CA -0.738 58.277 59.018 -0.004 0.000 2.028 175 C CB 1.252 28.979 27.740 -0.022 0.000 2.344 175 C HN 0.449 nan 8.230 nan 0.000 0.525 176 I N 0.120 120.655 120.570 -0.057 0.000 3.516 176 I HA 0.925 5.094 4.170 -0.001 0.000 0.302 176 I C -0.090 175.945 176.117 -0.136 0.000 1.143 176 I CA -0.283 60.968 61.300 -0.081 0.000 1.003 176 I CB 1.835 39.791 38.000 -0.074 0.000 1.347 176 I HN 0.682 nan 8.210 nan 0.000 0.486 177 S N -0.511 115.069 115.700 -0.199 0.000 2.911 177 S HA 0.406 4.876 4.470 -0.001 0.000 0.319 177 S C 0.738 175.123 174.600 -0.359 0.000 1.154 177 S CA 0.076 58.116 58.200 -0.266 0.000 0.857 177 S CB 0.756 63.773 63.200 -0.305 0.000 1.279 177 S HN 0.888 nan 8.310 nan 0.000 0.593 178 S N 1.587 117.048 115.700 -0.398 0.000 2.383 178 S HA -0.169 4.300 4.470 -0.001 0.000 0.229 178 S C 1.517 175.970 174.600 -0.245 0.000 1.030 178 S CA 1.466 59.367 58.200 -0.498 0.000 1.002 178 S CB -1.131 61.939 63.200 -0.217 0.000 0.829 178 S HN 0.658 nan 8.310 nan 0.000 0.467 179 N N 1.934 120.498 118.700 -0.227 0.000 2.069 179 N HA -0.082 4.657 4.740 -0.001 0.000 0.191 179 N C 1.731 177.181 175.510 -0.100 0.000 1.031 179 N CA 1.721 54.617 53.050 -0.257 0.000 0.852 179 N CB -0.495 37.382 38.487 -1.016 0.000 1.018 179 N HN 0.544 nan 8.380 nan 0.000 0.423 180 E N 0.620 120.704 120.200 -0.195 0.000 2.152 180 E HA 0.104 4.454 4.350 -0.001 0.000 0.192 180 E C 1.925 178.630 176.600 0.175 0.000 0.983 180 E CA 0.797 57.256 56.400 0.098 0.000 0.818 180 E CB -0.318 29.400 29.700 0.030 0.000 0.758 180 E HN 0.331 nan 8.360 nan 0.000 0.467 181 A N 0.407 123.205 122.820 -0.038 0.000 1.917 181 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 181 A C 1.686 179.368 177.584 0.163 0.000 1.182 181 A CA 1.299 53.331 52.037 -0.009 0.000 0.633 181 A CB -0.889 17.836 19.000 -0.458 0.000 0.819 181 A HN 0.272 nan 8.150 nan 0.000 0.448 182 F N -2.398 117.644 119.950 0.153 0.000 2.641 182 F HA -0.020 4.507 4.527 -0.001 0.000 0.298 182 F C 1.087 176.591 175.800 -0.493 0.000 1.146 182 F CA 0.886 58.807 58.000 -0.132 0.000 1.464 182 F CB -0.264 38.577 39.000 -0.266 0.000 1.101 182 F HN 0.332 nan 8.300 nan 0.000 0.585 183 Y N -1.343 119.201 120.300 0.407 0.000 2.626 183 Y HA 0.316 4.865 4.550 -0.001 0.000 0.248 183 Y C 0.472 176.572 175.900 0.332 0.000 1.147 183 Y CA -0.986 57.316 58.100 0.337 0.000 1.219 183 Y CB -0.186 38.474 38.460 0.332 0.000 1.279 183 Y HN -0.270 nan 8.280 nan 0.000 0.541 184 L N 3.133 124.640 121.223 0.474 0.000 2.601 184 L HA -0.052 4.287 4.340 -0.001 0.000 0.277 184 L C -1.336 175.807 176.870 0.456 0.000 1.219 184 L CA -0.783 54.286 54.840 0.382 0.000 0.915 184 L CB 0.489 42.704 42.059 0.259 0.000 1.160 184 L HN 0.014 nan 8.230 nan 0.000 0.494 185 P HA -0.133 nan 4.420 nan 0.000 0.219 185 P C -0.407 177.060 177.300 0.279 0.000 1.146 185 P CA 1.144 64.401 63.100 0.261 0.000 0.808 185 P CB 0.227 32.022 31.700 0.158 0.000 0.779 186 E N -2.709 117.571 120.200 0.133 0.000 2.407 186 E HA 0.392 4.742 4.350 -0.001 0.000 0.279 186 E C -3.172 173.123 176.600 -0.508 0.000 1.012 186 E CA -2.603 53.769 56.400 -0.047 0.000 0.800 186 E CB 1.110 30.823 29.700 0.022 0.000 1.276 186 E HN -0.245 nan 8.360 nan 0.000 0.452 187 P HA 0.237 nan 4.420 nan 0.000 0.276 187 P C -2.450 174.563 177.300 -0.478 0.000 1.230 187 P CA -1.372 61.199 63.100 -0.882 0.000 0.776 187 P CB -0.149 31.269 31.700 -0.470 0.000 0.888 188 P HA 0.208 nan 4.420 nan 0.000 0.276 188 P C 0.950 178.100 177.300 -0.251 0.000 1.235 188 P CA -0.217 62.651 63.100 -0.387 0.000 0.772 188 P CB 0.973 32.354 31.700 -0.531 0.000 0.871 189 R N 3.141 123.542 120.500 -0.164 0.000 2.066 189 R HA -0.053 4.287 4.340 -0.001 0.000 0.232 189 R C 0.175 176.420 176.300 -0.093 0.000 1.131 189 R CA 1.193 57.234 56.100 -0.098 0.000 0.955 189 R CB 0.185 30.443 30.300 -0.069 0.000 0.851 189 R HN 0.449 nan 8.270 nan 0.000 0.432 190 R N 0.083 120.516 120.500 -0.112 0.000 2.480 190 R HA 0.354 4.693 4.340 -0.001 0.000 0.306 190 R C -1.434 174.774 176.300 -0.154 0.000 0.958 190 R CA -0.415 55.626 56.100 -0.098 0.000 0.861 190 R CB 2.660 32.923 30.300 -0.061 0.000 1.171 190 R HN 0.021 nan 8.270 nan 0.000 0.445 191 V N 4.620 124.436 119.914 -0.163 0.000 2.735 191 V HA 0.595 4.715 4.120 -0.001 0.000 0.310 191 V C -1.631 174.406 176.094 -0.094 0.000 1.061 191 V CA -1.034 61.135 62.300 -0.219 0.000 0.913 191 V CB 1.999 33.546 31.823 -0.459 0.000 1.005 191 V HN 0.620 nan 8.190 nan 0.000 0.428 192 L N 5.928 127.107 121.223 -0.073 0.000 2.307 192 L HA 0.856 5.195 4.340 -0.001 0.000 0.284 192 L C 0.120 176.995 176.870 0.010 0.000 1.023 192 L CA 0.452 55.293 54.840 0.002 0.000 0.810 192 L CB 1.886 43.958 42.059 0.022 0.000 1.231 192 L HN 0.977 nan 8.230 nan 0.000 0.423 193 T N 2.286 116.877 114.554 0.061 0.000 2.823 193 T HA 0.742 5.092 4.350 -0.001 0.000 0.279 193 T C -0.654 174.088 174.700 0.071 0.000 0.998 193 T CA -0.712 61.427 62.100 0.065 0.000 0.994 193 T CB 1.394 70.329 68.868 0.113 0.000 0.960 193 T HN 0.362 nan 8.240 nan 0.000 0.448 194 V N 2.604 122.549 119.914 0.052 0.000 2.378 194 V HA 0.882 5.001 4.120 -0.001 0.000 0.288 194 V C 0.630 176.773 176.094 0.082 0.000 1.016 194 V CA 0.005 62.353 62.300 0.080 0.000 0.840 194 V CB 0.610 32.463 31.823 0.049 0.000 0.994 194 V HN 1.535 nan 8.190 nan 0.000 0.431 195 G N 3.039 111.926 108.800 0.147 0.000 2.306 195 G HA2 0.377 4.336 3.960 -0.001 0.000 0.340 195 G HA3 0.377 4.336 3.960 -0.001 0.000 0.340 195 G C 0.107 175.063 174.900 0.094 0.000 1.630 195 G CA -0.256 44.933 45.100 0.148 0.000 0.937 195 G HN 1.008 nan 8.290 nan 0.000 0.693 196 G N -0.364 108.404 108.800 -0.053 0.000 3.337 196 G HA2 0.593 4.553 3.960 -0.001 0.000 0.246 196 G HA3 0.593 4.553 3.960 -0.001 0.000 0.246 196 G C 0.816 175.542 174.900 -0.289 0.000 1.131 196 G CA 1.058 45.831 45.100 -0.545 0.000 0.773 196 G HN 1.228 nan 8.290 nan 0.000 0.544 197 G N -0.184 108.563 108.800 -0.088 0.000 2.613 197 G HA2 0.430 4.390 3.960 -0.001 0.000 0.303 197 G HA3 0.430 4.390 3.960 -0.001 0.000 0.303 197 G C 0.802 175.732 174.900 0.050 0.000 1.312 197 G CA -0.451 44.677 45.100 0.046 0.000 1.036 197 G HN 0.180 nan 8.290 nan 0.000 0.513 198 F N -0.677 119.299 119.950 0.042 0.000 2.161 198 F HA -0.041 4.486 4.527 -0.001 0.000 0.300 198 F C 2.145 177.980 175.800 0.059 0.000 1.089 198 F CA 1.160 59.171 58.000 0.019 0.000 1.282 198 F CB -0.706 38.331 39.000 0.062 0.000 1.010 198 F HN 0.196 nan 8.300 nan 0.000 0.485 199 I N 0.244 120.336 120.570 -0.797 0.000 2.163 199 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 199 I C 2.890 178.997 176.117 -0.016 0.000 1.085 199 I CA 1.743 62.802 61.300 -0.402 0.000 1.347 199 I CB -0.770 36.942 38.000 -0.480 0.000 1.044 199 I HN 0.402 nan 8.210 nan 0.000 0.408 200 S N 0.239 115.908 115.700 -0.052 0.000 2.356 200 S HA -0.130 4.340 4.470 -0.001 0.000 0.223 200 S C 2.082 176.714 174.600 0.052 0.000 1.032 200 S CA 1.358 59.573 58.200 0.024 0.000 1.005 200 S CB -0.200 63.001 63.200 0.002 0.000 0.867 200 S HN 0.220 nan 8.310 nan 0.000 0.449 201 V N 1.781 121.697 119.914 0.004 0.000 2.358 201 V HA -0.120 3.999 4.120 -0.001 0.000 0.246 201 V C 2.432 178.521 176.094 -0.009 0.000 1.047 201 V CA 1.988 64.283 62.300 -0.009 0.000 1.035 201 V CB -0.713 31.082 31.823 -0.045 0.000 0.658 201 V HN 0.525 nan 8.190 nan 0.000 0.452 202 E N -0.554 119.640 120.200 -0.011 0.000 2.047 202 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 202 E C 2.128 178.596 176.600 -0.220 0.000 0.987 202 E CA 1.417 57.768 56.400 -0.082 0.000 0.799 202 E CB -0.226 29.436 29.700 -0.064 0.000 0.752 202 E HN 0.556 nan 8.360 nan 0.000 0.449 203 F N 1.163 121.007 119.950 -0.176 0.000 2.134 203 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 203 F C 2.435 178.068 175.800 -0.277 0.000 1.097 203 F CA 1.124 58.918 58.000 -0.343 0.000 1.264 203 F CB -0.616 38.186 39.000 -0.331 0.000 1.001 203 F HN 0.003 nan 8.300 nan 0.000 0.479 204 A N 0.421 123.303 122.820 0.103 0.000 1.869 204 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 204 A C 2.607 180.227 177.584 0.060 0.000 1.203 204 A CA 2.236 54.348 52.037 0.125 0.000 0.638 204 A CB -1.701 17.346 19.000 0.078 0.000 0.831 204 A HN 0.428 nan 8.150 nan 0.000 0.450 205 G N -0.212 108.583 108.800 -0.008 0.000 2.476 205 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 205 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 205 G C 1.547 176.442 174.900 -0.007 0.000 1.164 205 G CA 1.300 46.390 45.100 -0.016 0.000 0.768 205 G HN 0.520 nan 8.290 nan 0.000 0.560 206 I N -0.191 120.311 120.570 -0.113 0.000 2.142 206 I HA -0.127 4.042 4.170 -0.001 0.000 0.240 206 I C 2.505 178.704 176.117 0.137 0.000 1.078 206 I CA 0.973 62.232 61.300 -0.069 0.000 1.343 206 I CB -0.321 37.471 38.000 -0.346 0.000 1.046 206 I HN 0.056 nan 8.210 nan 0.000 0.405 207 F N 0.939 121.008 119.950 0.197 0.000 2.171 207 F HA -0.195 4.331 4.527 -0.001 0.000 0.300 207 F C 2.317 178.177 175.800 0.100 0.000 1.090 207 F CA 1.421 59.492 58.000 0.119 0.000 1.293 207 F CB -1.375 37.641 39.000 0.027 0.000 1.013 207 F HN 0.162 nan 8.300 nan 0.000 0.486 208 N N 0.399 119.242 118.700 0.239 0.000 2.272 208 N HA -0.146 4.594 4.740 -0.001 0.000 0.185 208 N C 1.625 177.196 175.510 0.102 0.000 1.014 208 N CA 1.358 54.489 53.050 0.136 0.000 0.870 208 N CB -0.149 38.385 38.487 0.078 0.000 0.975 208 N HN 0.196 nan 8.380 nan 0.000 0.433 209 A N -1.706 121.184 122.820 0.116 0.000 2.063 209 A HA 0.154 4.473 4.320 -0.001 0.000 0.211 209 A C 1.222 178.776 177.584 -0.050 0.000 1.177 209 A CA 0.229 52.272 52.037 0.010 0.000 0.759 209 A CB -0.377 18.595 19.000 -0.046 0.000 0.857 209 A HN 0.398 nan 8.150 nan 0.000 0.468 210 Y N 1.350 121.756 120.300 0.178 0.000 2.482 210 Y HA 0.102 4.652 4.550 -0.001 0.000 0.270 210 Y C 0.914 176.889 175.900 0.125 0.000 1.152 210 Y CA 0.110 58.341 58.100 0.217 0.000 1.292 210 Y CB 0.143 38.862 38.460 0.431 0.000 1.070 210 Y HN 0.287 nan 8.280 nan 0.000 0.528 211 K N 2.312 122.824 120.400 0.186 0.000 2.524 211 K HA 0.030 4.350 4.320 -0.001 0.000 0.279 211 K C -2.567 174.070 176.600 0.062 0.000 0.993 211 K CA -1.213 55.122 56.287 0.079 0.000 1.030 211 K CB -0.262 32.267 32.500 0.048 0.000 0.891 211 K HN -0.011 nan 8.250 nan 0.000 0.488 212 P HA 0.025 nan 4.420 nan 0.000 0.274 212 P C -1.883 175.431 177.300 0.022 0.000 1.264 212 P CA -1.216 61.902 63.100 0.031 0.000 0.795 212 P CB -0.391 31.315 31.700 0.011 0.000 1.064 213 P HA -0.179 nan 4.420 nan 0.000 0.219 213 P C 1.307 178.613 177.300 0.009 0.000 1.158 213 P CA 2.374 65.484 63.100 0.017 0.000 0.895 213 P CB -0.576 31.134 31.700 0.016 0.000 0.792 214 G N -1.481 107.320 108.800 0.002 0.000 3.448 214 G HA2 0.324 4.283 3.960 -0.001 0.000 0.261 214 G HA3 0.324 4.283 3.960 -0.001 0.000 0.261 214 G C 0.677 175.573 174.900 -0.006 0.000 1.173 214 G CA 0.117 45.216 45.100 -0.002 0.000 0.835 214 G HN 0.425 nan 8.290 nan 0.000 0.534 215 G N -0.014 108.784 108.800 -0.004 0.000 2.636 215 G HA2 0.452 4.412 3.960 -0.001 0.000 0.246 215 G HA3 0.452 4.412 3.960 -0.001 0.000 0.246 215 G C -0.517 174.379 174.900 -0.008 0.000 1.216 215 G CA -0.239 44.855 45.100 -0.010 0.000 0.854 215 G HN 0.284 nan 8.290 nan 0.000 0.572 216 K N -0.083 120.309 120.400 -0.013 0.000 2.589 216 K HA 0.399 4.719 4.320 -0.001 0.000 0.253 216 K C -1.135 175.463 176.600 -0.004 0.000 0.974 216 K CA -0.508 55.775 56.287 -0.007 0.000 0.835 216 K CB 1.708 34.202 32.500 -0.009 0.000 1.272 216 K HN 0.322 nan 8.250 nan 0.000 0.444 217 V N 3.568 123.493 119.914 0.018 0.000 2.439 217 V HA 0.586 4.705 4.120 -0.001 0.000 0.282 217 V C -0.410 175.703 176.094 0.032 0.000 1.039 217 V CA -0.417 61.907 62.300 0.040 0.000 0.913 217 V CB 1.708 33.588 31.823 0.094 0.000 0.983 217 V HN 0.845 nan 8.190 nan 0.000 0.460 218 T N 6.226 120.803 114.554 0.038 0.000 2.881 218 T HA 0.497 4.846 4.350 -0.001 0.000 0.291 218 T C -0.655 174.080 174.700 0.059 0.000 0.990 218 T CA -0.294 61.828 62.100 0.038 0.000 0.976 218 T CB 1.344 70.236 68.868 0.040 0.000 0.970 218 T HN 0.566 nan 8.240 nan 0.000 0.438 219 L N 4.457 125.712 121.223 0.052 0.000 2.295 219 L HA 0.775 5.115 4.340 -0.001 0.000 0.285 219 L C -0.137 176.777 176.870 0.073 0.000 1.035 219 L CA -0.686 54.194 54.840 0.067 0.000 0.806 219 L CB 0.327 42.416 42.059 0.051 0.000 1.214 219 L HN 0.944 nan 8.230 nan 0.000 0.426 220 C N 3.053 122.423 119.300 0.115 0.000 2.411 220 C HA 0.656 5.116 4.460 -0.001 0.000 0.330 220 C C -0.758 174.359 174.990 0.212 0.000 1.224 220 C CA -0.936 58.161 59.018 0.132 0.000 1.770 220 C CB 0.762 28.618 27.740 0.193 0.000 2.297 220 C HN 0.812 nan 8.230 nan 0.000 0.507 221 Y N 3.585 123.897 120.300 0.020 0.000 2.406 221 Y HA 0.497 5.046 4.550 -0.001 0.000 0.340 221 Y C 1.452 177.367 175.900 0.024 0.000 0.975 221 Y CA -1.171 56.944 58.100 0.026 0.000 1.056 221 Y CB 1.356 39.827 38.460 0.018 0.000 1.210 221 Y HN 0.919 nan 8.280 nan 0.000 0.448 222 R N 2.032 122.174 120.500 -0.597 0.000 2.241 222 R HA -0.061 4.279 4.340 -0.001 0.000 0.224 222 R C -0.893 175.056 176.300 -0.584 0.000 1.101 222 R CA 1.310 57.108 56.100 -0.502 0.000 0.995 222 R CB -0.388 29.707 30.300 -0.342 0.000 0.870 222 R HN 0.658 nan 8.270 nan 0.000 0.463 223 N N 0.232 118.337 118.700 -0.992 0.000 2.815 223 N HA 0.113 4.853 4.740 -0.001 0.000 0.315 223 N C -0.107 175.386 175.510 -0.027 0.000 1.320 223 N CA -0.617 52.215 53.050 -0.363 0.000 0.846 223 N CB 0.765 39.152 38.487 -0.168 0.000 1.344 223 N HN 0.057 nan 8.380 nan 0.000 0.593 224 N N 0.031 118.775 118.700 0.073 0.000 2.415 224 N HA 0.015 4.755 4.740 -0.001 0.000 0.176 224 N C -0.532 175.062 175.510 0.140 0.000 1.042 224 N CA 0.552 53.653 53.050 0.086 0.000 0.902 224 N CB 0.305 38.815 38.487 0.038 0.000 0.986 224 N HN 0.259 nan 8.380 nan 0.000 0.447 225 L N 1.966 123.316 121.223 0.212 0.000 2.406 225 L HA 0.459 4.799 4.340 -0.001 0.000 0.272 225 L C -0.141 176.779 176.870 0.083 0.000 0.980 225 L CA -1.375 53.548 54.840 0.139 0.000 0.831 225 L CB 1.473 43.580 42.059 0.080 0.000 1.253 225 L HN 0.157 nan 8.230 nan 0.000 0.406 226 I N 2.529 123.061 120.570 -0.062 0.000 3.161 226 I HA 0.175 4.344 4.170 -0.001 0.000 0.284 226 I C 0.338 176.325 176.117 -0.217 0.000 1.252 226 I CA -0.422 60.684 61.300 -0.323 0.000 1.374 226 I CB 0.148 38.007 38.000 -0.236 0.000 1.359 226 I HN 0.744 nan 8.210 nan 0.000 0.606 227 L N 1.352 122.428 121.223 -0.245 0.000 3.597 227 L HA -0.185 4.155 4.340 -0.001 0.000 0.440 227 L C 0.477 177.429 176.870 0.138 0.000 1.277 227 L CA 0.356 55.183 54.840 -0.021 0.000 0.852 227 L CB -1.638 40.364 42.059 -0.095 0.000 1.708 227 L HN 0.710 nan 8.230 nan 0.000 0.885 228 R N 0.477 121.012 120.500 0.059 0.000 2.638 228 R HA 0.191 4.530 4.340 -0.001 0.000 0.268 228 R C 1.461 177.830 176.300 0.114 0.000 1.006 228 R CA 1.119 57.281 56.100 0.103 0.000 1.088 228 R CB 0.194 30.572 30.300 0.130 0.000 0.950 228 R HN 0.569 nan 8.270 nan 0.000 0.419 229 G N 1.834 110.659 108.800 0.042 0.000 2.234 229 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.235 229 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.235 229 G C -0.013 174.762 174.900 -0.208 0.000 0.997 229 G CA -0.327 44.720 45.100 -0.089 0.000 0.623 229 G HN 0.484 nan 8.290 nan 0.000 0.514 230 F N 1.256 121.168 119.950 -0.063 0.000 2.403 230 F HA 0.535 5.061 4.527 -0.001 0.000 0.326 230 F C 0.869 176.572 175.800 -0.162 0.000 1.099 230 F CA -0.422 57.515 58.000 -0.106 0.000 1.036 230 F CB 0.479 39.429 39.000 -0.084 0.000 1.336 230 F HN -0.021 nan 8.300 nan 0.000 0.497 231 D N 1.279 121.665 120.400 -0.023 0.000 2.458 231 D HA -0.082 4.558 4.640 -0.001 0.000 0.243 231 D C 0.829 177.116 176.300 -0.022 0.000 1.146 231 D CA 0.268 54.181 54.000 -0.144 0.000 0.877 231 D CB 1.015 41.680 40.800 -0.224 0.000 1.176 231 D HN 0.760 nan 8.370 nan 0.000 0.461 232 E N 2.112 122.308 120.200 -0.007 0.000 2.153 232 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 232 E C 1.264 177.873 176.600 0.016 0.000 0.988 232 E CA 1.280 57.691 56.400 0.018 0.000 0.811 232 E CB 0.244 29.964 29.700 0.033 0.000 0.746 232 E HN 0.505 nan 8.360 nan 0.000 0.466 233 T N 0.841 115.410 114.554 0.025 0.000 2.821 233 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 233 T C 1.822 176.514 174.700 -0.012 0.000 1.046 233 T CA 1.201 63.314 62.100 0.022 0.000 1.139 233 T CB -0.106 68.791 68.868 0.048 0.000 0.871 233 T HN 0.199 nan 8.240 nan 0.000 0.454 234 I N 0.661 121.215 120.570 -0.026 0.000 2.286 234 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 234 I C 2.779 178.851 176.117 -0.076 0.000 1.104 234 I CA 1.117 62.378 61.300 -0.065 0.000 1.397 234 I CB -0.314 37.646 38.000 -0.066 0.000 1.072 234 I HN 0.138 nan 8.210 nan 0.000 0.417 235 R N 0.851 121.323 120.500 -0.047 0.000 2.083 235 R HA -0.198 4.142 4.340 -0.001 0.000 0.237 235 R C 2.174 178.444 176.300 -0.050 0.000 1.137 235 R CA 1.656 57.725 56.100 -0.053 0.000 0.951 235 R CB -0.352 29.941 30.300 -0.012 0.000 0.851 235 R HN 0.458 nan 8.270 nan 0.000 0.434 236 E N 0.130 120.312 120.200 -0.030 0.000 2.072 236 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 236 E C 2.024 178.603 176.600 -0.035 0.000 0.985 236 E CA 0.669 57.055 56.400 -0.024 0.000 0.801 236 E CB 0.052 29.746 29.700 -0.010 0.000 0.750 236 E HN 0.293 nan 8.360 nan 0.000 0.452 237 E N 0.682 120.855 120.200 -0.044 0.000 2.047 237 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 237 E C 2.262 178.825 176.600 -0.062 0.000 0.987 237 E CA 0.473 56.843 56.400 -0.051 0.000 0.799 237 E CB -0.244 29.418 29.700 -0.063 0.000 0.752 237 E HN 0.059 nan 8.360 nan 0.000 0.449 238 V N 1.261 121.123 119.914 -0.086 0.000 2.469 238 V HA -0.253 3.866 4.120 -0.001 0.000 0.251 238 V C 2.139 178.187 176.094 -0.077 0.000 1.064 238 V CA 2.095 64.339 62.300 -0.095 0.000 1.066 238 V CB -0.482 31.259 31.823 -0.137 0.000 0.667 238 V HN 0.330 nan 8.190 nan 0.000 0.461 239 T N -0.362 114.151 114.554 -0.069 0.000 2.595 239 T HA -0.249 4.100 4.350 -0.001 0.000 0.264 239 T C 1.884 176.550 174.700 -0.056 0.000 1.058 239 T CA 1.829 63.894 62.100 -0.057 0.000 1.166 239 T CB -0.278 68.564 68.868 -0.043 0.000 0.863 239 T HN 0.451 nan 8.240 nan 0.000 0.415 240 K N 0.847 121.219 120.400 -0.046 0.000 2.107 240 K HA -0.230 4.089 4.320 -0.001 0.000 0.211 240 K C 2.565 179.126 176.600 -0.065 0.000 1.049 240 K CA 1.790 58.051 56.287 -0.044 0.000 0.927 240 K CB -0.208 32.279 32.500 -0.021 0.000 0.714 240 K HN 0.536 nan 8.250 nan 0.000 0.452 241 Q N 0.203 119.975 119.800 -0.046 0.000 2.137 241 Q HA -0.016 4.323 4.340 -0.001 0.000 0.198 241 Q C 2.296 178.222 176.000 -0.123 0.000 0.960 241 Q CA 0.672 56.452 55.803 -0.038 0.000 0.847 241 Q CB -0.004 28.775 28.738 0.069 0.000 0.915 241 Q HN 0.304 nan 8.270 nan 0.000 0.448 242 L N 0.427 121.595 121.223 -0.091 0.000 2.017 242 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 242 L C 2.444 179.242 176.870 -0.120 0.000 1.073 242 L CA 1.319 56.104 54.840 -0.091 0.000 0.745 242 L CB -0.870 41.151 42.059 -0.064 0.000 0.894 242 L HN 0.232 nan 8.230 nan 0.000 0.432 243 T N 0.211 114.696 114.554 -0.115 0.000 2.635 243 T HA -0.265 4.084 4.350 -0.001 0.000 0.267 243 T C 1.891 176.478 174.700 -0.190 0.000 1.040 243 T CA 1.682 63.709 62.100 -0.121 0.000 1.156 243 T CB -0.333 68.479 68.868 -0.093 0.000 0.863 243 T HN 0.478 nan 8.240 nan 0.000 0.430 244 A N 1.197 123.840 122.820 -0.295 0.000 2.121 244 A HA -0.023 4.297 4.320 -0.001 0.000 0.218 244 A C 1.934 179.168 177.584 -0.583 0.000 1.154 244 A CA 1.209 52.956 52.037 -0.484 0.000 0.679 244 A CB -0.462 18.096 19.000 -0.737 0.000 0.795 244 A HN 0.417 nan 8.150 nan 0.000 0.458 245 N N -0.859 117.580 118.700 -0.434 0.000 2.251 245 N HA 0.253 4.993 4.740 -0.001 0.000 0.217 245 N C 0.790 176.218 175.510 -0.137 0.000 1.124 245 N CA 0.833 53.718 53.050 -0.274 0.000 0.843 245 N CB 0.099 38.480 38.487 -0.178 0.000 1.024 245 N HN 0.485 nan 8.380 nan 0.000 0.501 246 G N 0.280 109.001 108.800 -0.131 0.000 2.132 246 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.234 246 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.234 246 G C -0.194 174.678 174.900 -0.047 0.000 0.989 246 G CA 0.030 45.085 45.100 -0.074 0.000 0.676 246 G HN 0.291 nan 8.290 nan 0.000 0.522 247 I N 0.756 121.294 120.570 -0.053 0.000 2.336 247 I HA 0.378 4.548 4.170 -0.001 0.000 0.292 247 I C 0.516 176.613 176.117 -0.034 0.000 0.991 247 I CA -0.682 60.602 61.300 -0.027 0.000 1.227 247 I CB 1.682 39.672 38.000 -0.016 0.000 1.366 247 I HN 0.167 nan 8.210 nan 0.000 0.466 248 E N 5.846 126.033 120.200 -0.022 0.000 2.223 248 E HA 0.313 4.662 4.350 -0.001 0.000 0.282 248 E C -0.991 175.597 176.600 -0.020 0.000 1.046 248 E CA -0.588 55.795 56.400 -0.028 0.000 0.857 248 E CB 0.818 30.501 29.700 -0.027 0.000 1.055 248 E HN 0.385 nan 8.360 nan 0.000 0.409 249 I N 5.636 126.190 120.570 -0.026 0.000 2.310 249 I HA 0.135 4.305 4.170 -0.001 0.000 0.287 249 I C -0.109 175.995 176.117 -0.022 0.000 1.073 249 I CA 0.177 61.469 61.300 -0.013 0.000 1.216 249 I CB 0.725 38.716 38.000 -0.014 0.000 1.415 249 I HN 0.553 nan 8.210 nan 0.000 0.480 250 M N 6.373 125.954 119.600 -0.033 0.000 2.383 250 M HA 0.168 4.647 4.480 -0.001 0.000 0.337 250 M C 0.199 176.482 176.300 -0.028 0.000 1.422 250 M CA -0.164 55.087 55.300 -0.081 0.000 1.333 250 M CB -0.117 32.374 32.600 -0.182 0.000 1.488 250 M HN 0.552 nan 8.290 nan 0.000 0.454 251 T N -0.562 113.987 114.554 -0.009 0.000 2.874 251 T HA 0.308 4.657 4.350 -0.001 0.000 0.281 251 T C 0.867 175.548 174.700 -0.033 0.000 0.994 251 T CA -0.866 61.255 62.100 0.035 0.000 1.015 251 T CB 0.813 69.716 68.868 0.058 0.000 1.028 251 T HN 0.737 nan 8.240 nan 0.000 0.523 252 N N 0.334 119.003 118.700 -0.051 0.000 2.741 252 N HA -0.143 4.597 4.740 -0.001 0.000 0.251 252 N C -0.698 174.760 175.510 -0.086 0.000 1.112 252 N CA 0.977 53.979 53.050 -0.081 0.000 0.750 252 N CB -0.672 37.781 38.487 -0.056 0.000 1.119 252 N HN 0.741 nan 8.380 nan 0.000 0.561 253 E N 0.602 120.749 120.200 -0.089 0.000 2.238 253 E HA 0.508 4.857 4.350 -0.001 0.000 0.267 253 E C -0.461 176.182 176.600 0.072 0.000 0.887 253 E CA -0.608 55.753 56.400 -0.066 0.000 0.769 253 E CB 2.195 31.715 29.700 -0.301 0.000 1.187 253 E HN 0.210 nan 8.360 nan 0.000 0.416 254 N N 1.915 120.737 118.700 0.203 0.000 2.425 254 N HA 0.327 5.067 4.740 -0.001 0.000 0.289 254 N C -3.028 172.593 175.510 0.185 0.000 1.074 254 N CA -1.767 51.391 53.050 0.179 0.000 0.905 254 N CB 1.873 40.385 38.487 0.042 0.000 1.586 254 N HN -0.014 nan 8.380 nan 0.000 0.490 255 P HA 0.130 nan 4.420 nan 0.000 0.264 255 P C -0.471 176.755 177.300 -0.122 0.000 1.193 255 P CA 0.073 63.037 63.100 -0.227 0.000 0.763 255 P CB 0.995 32.553 31.700 -0.238 0.000 0.810 256 A N 4.403 127.136 122.820 -0.144 0.000 1.993 256 A HA 0.143 4.463 4.320 -0.001 0.000 0.207 256 A C 0.641 178.180 177.584 -0.075 0.000 1.224 256 A CA 1.080 53.072 52.037 -0.074 0.000 0.749 256 A CB -0.121 18.854 19.000 -0.041 0.000 0.884 256 A HN 0.590 nan 8.150 nan 0.000 0.467 257 K N -2.412 117.922 120.400 -0.109 0.000 2.466 257 K HA 0.757 5.076 4.320 -0.001 0.000 0.277 257 K C -1.715 174.817 176.600 -0.114 0.000 1.039 257 K CA -0.776 55.464 56.287 -0.077 0.000 0.904 257 K CB 1.779 34.255 32.500 -0.039 0.000 1.506 257 K HN -0.030 nan 8.250 nan 0.000 0.441 258 V N 0.935 120.819 119.914 -0.050 0.000 2.891 258 V HA 0.509 4.629 4.120 -0.001 0.000 0.304 258 V C -1.263 174.861 176.094 0.050 0.000 1.171 258 V CA -0.488 61.786 62.300 -0.044 0.000 0.943 258 V CB 2.036 33.849 31.823 -0.018 0.000 1.037 258 V HN 1.052 nan 8.190 nan 0.000 0.427 259 S N 4.095 119.805 115.700 0.016 0.000 2.661 259 S HA 0.821 5.290 4.470 -0.001 0.000 0.285 259 S C -1.181 173.332 174.600 -0.146 0.000 1.138 259 S CA -0.974 57.225 58.200 -0.001 0.000 0.855 259 S CB 1.895 65.124 63.200 0.048 0.000 1.136 259 S HN 0.516 nan 8.310 nan 0.000 0.484 260 L N 2.136 123.212 121.223 -0.245 0.000 2.289 260 L HA 0.455 4.795 4.340 -0.001 0.000 0.285 260 L C 0.196 176.992 176.870 -0.123 0.000 1.049 260 L CA -0.928 53.758 54.840 -0.257 0.000 0.804 260 L CB 0.750 42.624 42.059 -0.309 0.000 1.195 260 L HN 0.661 nan 8.230 nan 0.000 0.428 261 N N 0.584 119.224 118.700 -0.100 0.000 2.317 261 N HA 0.048 4.788 4.740 -0.001 0.000 0.245 261 N C 1.239 176.701 175.510 -0.080 0.000 1.294 261 N CA 0.284 53.275 53.050 -0.097 0.000 0.924 261 N CB 0.808 39.239 38.487 -0.093 0.000 1.186 261 N HN 0.658 nan 8.380 nan 0.000 0.495 262 T N -2.291 112.220 114.554 -0.071 0.000 2.821 262 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 262 T C 0.945 175.619 174.700 -0.044 0.000 1.046 262 T CA 1.231 63.300 62.100 -0.052 0.000 1.139 262 T CB -0.277 68.563 68.868 -0.046 0.000 0.871 262 T HN 0.606 nan 8.240 nan 0.000 0.454 263 D N 1.398 121.771 120.400 -0.046 0.000 2.352 263 D HA 0.195 4.834 4.640 -0.001 0.000 0.232 263 D C 1.663 177.938 176.300 -0.042 0.000 1.055 263 D CA 0.665 54.642 54.000 -0.038 0.000 0.891 263 D CB -0.870 39.909 40.800 -0.036 0.000 0.897 263 D HN 0.661 nan 8.370 nan 0.000 0.529 264 G N 0.065 108.832 108.800 -0.054 0.000 2.225 264 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.254 264 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.254 264 G C 0.469 175.321 174.900 -0.079 0.000 0.988 264 G CA 0.482 45.545 45.100 -0.063 0.000 0.625 264 G HN 0.896 nan 8.290 nan 0.000 0.527 265 S N -0.099 115.559 115.700 -0.069 0.000 2.576 265 S HA 0.572 5.042 4.470 -0.001 0.000 0.272 265 S C 0.171 174.720 174.600 -0.085 0.000 1.352 265 S CA 0.254 58.413 58.200 -0.068 0.000 1.021 265 S CB 1.429 64.601 63.200 -0.047 0.000 0.887 265 S HN 0.332 nan 8.310 nan 0.000 0.542 266 K N 1.383 121.733 120.400 -0.082 0.000 2.234 266 K HA 0.354 4.673 4.320 -0.001 0.000 0.282 266 K C -0.666 175.923 176.600 -0.018 0.000 1.039 266 K CA -0.143 56.088 56.287 -0.093 0.000 0.928 266 K CB 0.560 33.000 32.500 -0.099 0.000 1.039 266 K HN 0.785 nan 8.250 nan 0.000 0.470 267 H N 1.737 120.732 119.070 -0.125 0.000 2.638 267 H HA 0.455 5.011 4.556 -0.001 0.000 0.317 267 H C -1.242 174.017 175.328 -0.116 0.000 1.006 267 H CA -0.741 55.249 56.048 -0.097 0.000 1.222 267 H CB 0.553 30.267 29.762 -0.080 0.000 1.419 267 H HN 0.240 nan 8.280 nan 0.000 0.489 268 V N 5.431 125.053 119.914 -0.487 0.000 2.394 268 V HA 0.308 4.428 4.120 -0.001 0.000 0.282 268 V C 0.129 175.834 176.094 -0.649 0.000 1.031 268 V CA -0.682 61.308 62.300 -0.517 0.000 0.881 268 V CB 1.518 33.026 31.823 -0.526 0.000 0.982 268 V HN 0.878 nan 8.190 nan 0.000 0.451 269 T N 5.879 120.127 114.554 -0.509 0.000 2.770 269 T HA 0.551 4.901 4.350 -0.001 0.000 0.297 269 T C -0.220 174.270 174.700 -0.350 0.000 0.997 269 T CA -0.117 61.784 62.100 -0.331 0.000 0.949 269 T CB 0.101 68.875 68.868 -0.155 0.000 0.941 269 T HN 0.286 nan 8.240 nan 0.000 0.457 270 F N 1.551 121.451 119.950 -0.084 0.000 2.496 270 F HA 0.141 4.668 4.527 -0.000 0.000 0.344 270 F C 2.033 177.807 175.800 -0.043 0.000 1.155 270 F CA -0.373 57.592 58.000 -0.057 0.000 1.302 270 F CB 0.431 39.399 39.000 -0.052 0.000 1.159 270 F HN 0.642 nan 8.300 nan 0.000 0.595 271 E N 0.498 120.769 120.200 0.119 0.000 2.147 271 E HA -0.254 4.096 4.350 -0.001 0.000 0.199 271 E C 1.993 178.633 176.600 0.067 0.000 1.005 271 E CA 1.801 58.240 56.400 0.065 0.000 0.810 271 E CB -0.174 29.554 29.700 0.048 0.000 0.736 271 E HN 0.641 nan 8.360 nan 0.000 0.460 272 S N -1.211 114.546 115.700 0.094 0.000 2.607 272 S HA 0.127 4.596 4.470 -0.001 0.000 0.224 272 S C 1.547 176.180 174.600 0.055 0.000 0.969 272 S CA 0.546 58.778 58.200 0.053 0.000 0.927 272 S CB 0.478 63.691 63.200 0.022 0.000 0.772 272 S HN 0.439 nan 8.310 nan 0.000 0.533 273 G N 1.135 109.983 108.800 0.081 0.000 2.258 273 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.233 273 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.233 273 G C 0.091 175.044 174.900 0.089 0.000 1.006 273 G CA 0.131 45.271 45.100 0.066 0.000 0.620 273 G HN 0.797 nan 8.290 nan 0.000 0.511 274 K N 1.908 122.374 120.400 0.111 0.000 2.469 274 K HA 0.447 4.766 4.320 -0.001 0.000 0.274 274 K C 0.692 177.475 176.600 0.304 0.000 0.983 274 K CA 0.989 57.353 56.287 0.129 0.000 0.974 274 K CB 0.229 32.721 32.500 -0.014 0.000 0.913 274 K HN 0.548 nan 8.250 nan 0.000 0.493 275 T N 1.290 115.971 114.554 0.210 0.000 2.906 275 T HA 0.646 4.996 4.350 -0.001 0.000 0.295 275 T C -1.278 173.522 174.700 0.167 0.000 1.075 275 T CA -1.103 61.069 62.100 0.120 0.000 1.005 275 T CB 1.482 70.348 68.868 -0.003 0.000 1.136 275 T HN 0.424 nan 8.240 nan 0.000 0.498 276 L N 0.849 122.111 121.223 0.066 0.000 2.526 276 L HA 0.584 4.924 4.340 -0.001 0.000 0.263 276 L C -1.998 174.884 176.870 0.019 0.000 0.943 276 L CA -0.372 54.534 54.840 0.109 0.000 0.859 276 L CB 2.337 44.555 42.059 0.265 0.000 1.313 276 L HN 0.794 nan 8.230 nan 0.000 0.406 277 D N 4.103 124.538 120.400 0.059 0.000 2.303 277 D HA 0.664 5.303 4.640 -0.001 0.000 0.236 277 D C -0.660 175.645 176.300 0.008 0.000 1.068 277 D CA 0.226 54.261 54.000 0.058 0.000 0.830 277 D CB 2.133 42.990 40.800 0.095 0.000 1.109 277 D HN 0.477 nan 8.370 nan 0.000 0.496 278 V N -0.496 119.405 119.914 -0.021 0.000 3.159 278 V HA 0.437 4.556 4.120 -0.001 0.000 0.308 278 V C 0.297 176.344 176.094 -0.078 0.000 1.190 278 V CA -0.775 61.493 62.300 -0.054 0.000 1.037 278 V CB 2.589 34.372 31.823 -0.067 0.000 1.060 278 V HN 0.255 nan 8.190 nan 0.000 0.437 279 D N 0.302 120.638 120.400 -0.106 0.000 2.240 279 D HA 0.170 4.810 4.640 -0.001 0.000 0.206 279 D C 0.196 176.409 176.300 -0.146 0.000 0.963 279 D CA 1.405 55.332 54.000 -0.122 0.000 0.863 279 D CB 1.269 41.987 40.800 -0.138 0.000 0.973 279 D HN 0.375 nan 8.370 nan 0.000 0.501 280 V N 1.442 121.245 119.914 -0.184 0.000 2.668 280 V HA 0.205 4.325 4.120 -0.001 0.000 0.304 280 V C -0.386 175.605 176.094 -0.171 0.000 1.071 280 V CA -0.755 61.426 62.300 -0.198 0.000 0.894 280 V CB 2.900 34.532 31.823 -0.318 0.000 1.008 280 V HN -0.267 nan 8.190 nan 0.000 0.425 281 V N 5.840 125.681 119.914 -0.121 0.000 2.328 281 V HA 0.438 4.558 4.120 -0.001 0.000 0.278 281 V C 0.076 176.109 176.094 -0.100 0.000 1.021 281 V CA -0.243 61.997 62.300 -0.100 0.000 0.838 281 V CB 1.447 33.222 31.823 -0.079 0.000 0.999 281 V HN 0.879 nan 8.190 nan 0.000 0.447 282 M N 6.366 125.905 119.600 -0.102 0.000 2.088 282 M HA 0.479 4.958 4.480 -0.001 0.000 0.346 282 M C -0.620 175.625 176.300 -0.091 0.000 1.111 282 M CA -0.488 54.743 55.300 -0.114 0.000 1.017 282 M CB 0.970 33.495 32.600 -0.125 0.000 1.568 282 M HN 0.458 nan 8.290 nan 0.000 0.445 283 M N 4.111 123.651 119.600 -0.100 0.000 2.188 283 M HA 0.333 4.813 4.480 -0.001 0.000 0.354 283 M C -0.112 176.127 176.300 -0.101 0.000 1.342 283 M CA 0.095 55.348 55.300 -0.077 0.000 1.117 283 M CB 0.675 33.236 32.600 -0.064 0.000 1.670 283 M HN 0.798 nan 8.290 nan 0.000 0.466 284 A N 4.725 127.508 122.820 -0.062 0.000 3.464 284 A HA 0.432 4.751 4.320 -0.001 0.000 0.243 284 A C 0.290 177.864 177.584 -0.018 0.000 1.100 284 A CA -0.480 51.513 52.037 -0.074 0.000 0.957 284 A CB -0.438 18.499 19.000 -0.106 0.000 1.340 284 A HN 0.909 nan 8.150 nan 0.000 0.645 285 I N -3.152 117.423 120.570 0.009 0.000 4.082 285 I HA 0.665 4.834 4.170 -0.001 0.000 0.337 285 I C 0.657 176.814 176.117 0.067 0.000 1.352 285 I CA 0.080 61.416 61.300 0.060 0.000 1.097 285 I CB 0.971 39.010 38.000 0.064 0.000 1.048 285 I HN 0.497 nan 8.210 nan 0.000 0.393 286 G N 0.985 109.811 108.800 0.044 0.000 2.384 286 G HA2 0.424 4.383 3.960 -0.001 0.000 0.300 286 G HA3 0.424 4.383 3.960 -0.001 0.000 0.300 286 G C -1.707 173.227 174.900 0.058 0.000 1.582 286 G CA -1.043 44.097 45.100 0.066 0.000 0.875 286 G HN 0.088 nan 8.290 nan 0.000 0.628 287 R N 0.152 120.705 120.500 0.088 0.000 2.494 287 R HA 0.652 4.992 4.340 -0.001 0.000 0.305 287 R C 0.266 176.645 176.300 0.131 0.000 0.959 287 R CA -0.851 55.311 56.100 0.104 0.000 0.864 287 R CB 1.972 32.341 30.300 0.115 0.000 1.159 287 R HN 0.668 nan 8.270 nan 0.000 0.446 288 I N 0.047 120.713 120.570 0.160 0.000 2.460 288 I HA 0.577 4.747 4.170 -0.001 0.000 0.298 288 I C -2.361 173.863 176.117 0.178 0.000 0.989 288 I CA -3.071 58.322 61.300 0.155 0.000 1.173 288 I CB 1.853 39.942 38.000 0.148 0.000 1.338 288 I HN 0.322 nan 8.210 nan 0.000 0.456 289 P HA 0.046 nan 4.420 nan 0.000 0.265 289 P C -0.786 176.595 177.300 0.135 0.000 1.193 289 P CA -0.069 63.111 63.100 0.134 0.000 0.765 289 P CB 0.598 32.358 31.700 0.101 0.000 0.823 290 R N 2.262 122.846 120.500 0.140 0.000 2.870 290 R HA 0.182 4.522 4.340 -0.001 0.000 0.254 290 R C 0.958 177.303 176.300 0.076 0.000 1.392 290 R CA 0.068 56.237 56.100 0.116 0.000 1.322 290 R CB -0.306 30.076 30.300 0.136 0.000 1.205 290 R HN 0.540 nan 8.270 nan 0.000 0.597 291 T N -2.149 112.441 114.554 0.060 0.000 2.971 291 T HA 0.053 4.403 4.350 -0.001 0.000 0.252 291 T C 1.260 175.977 174.700 0.028 0.000 1.022 291 T CA -0.086 62.042 62.100 0.046 0.000 0.980 291 T CB 0.161 69.056 68.868 0.045 0.000 1.044 291 T HN 0.358 nan 8.240 nan 0.000 0.501 292 N N 2.108 120.817 118.700 0.014 0.000 2.205 292 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 292 N C 0.854 176.355 175.510 -0.016 0.000 1.015 292 N CA 1.581 54.627 53.050 -0.007 0.000 0.862 292 N CB -0.121 38.350 38.487 -0.026 0.000 0.986 292 N HN 0.505 nan 8.380 nan 0.000 0.429 293 D N 0.752 121.149 120.400 -0.005 0.000 2.323 293 D HA 0.033 4.672 4.640 -0.001 0.000 0.209 293 D C 1.904 178.218 176.300 0.023 0.000 0.973 293 D CA 0.169 54.166 54.000 -0.006 0.000 0.874 293 D CB 0.096 40.915 40.800 0.030 0.000 0.930 293 D HN 0.265 nan 8.370 nan 0.000 0.521 294 L N 0.505 121.746 121.223 0.031 0.000 2.465 294 L HA -0.074 4.266 4.340 -0.001 0.000 0.224 294 L C 0.269 177.147 176.870 0.014 0.000 1.145 294 L CA 0.359 55.217 54.840 0.030 0.000 0.834 294 L CB -0.259 41.820 42.059 0.033 0.000 0.944 294 L HN -0.108 nan 8.230 nan 0.000 0.451 295 Q N -0.550 119.252 119.800 0.004 0.000 2.463 295 Q HA -0.225 4.114 4.340 -0.001 0.000 0.299 295 Q C 1.087 177.086 176.000 -0.001 0.000 1.353 295 Q CA 0.612 56.412 55.803 -0.004 0.000 0.828 295 Q CB -2.250 26.483 28.738 -0.009 0.000 1.157 295 Q HN 0.525 nan 8.270 nan 0.000 0.436 296 L N -1.318 119.907 121.223 0.004 0.000 2.079 296 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 296 L C 2.364 179.233 176.870 -0.001 0.000 1.081 296 L CA 1.697 56.540 54.840 0.004 0.000 0.752 296 L CB -0.640 41.425 42.059 0.010 0.000 0.896 296 L HN 0.547 nan 8.230 nan 0.000 0.433 297 G N 0.329 109.128 108.800 -0.002 0.000 2.550 297 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.222 297 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.222 297 G C 1.301 176.197 174.900 -0.007 0.000 1.113 297 G CA 1.174 46.272 45.100 -0.004 0.000 0.748 297 G HN 0.379 nan 8.290 nan 0.000 0.585 298 N N -0.208 118.487 118.700 -0.008 0.000 2.443 298 N HA -0.061 4.679 4.740 -0.001 0.000 0.184 298 N C 1.964 177.468 175.510 -0.011 0.000 1.037 298 N CA 1.478 54.522 53.050 -0.009 0.000 0.896 298 N CB 0.161 38.643 38.487 -0.010 0.000 0.959 298 N HN 0.499 nan 8.380 nan 0.000 0.442 299 V N -6.440 113.467 119.914 -0.011 0.000 3.411 299 V HA 0.554 4.674 4.120 -0.001 0.000 0.287 299 V C 1.028 177.113 176.094 -0.015 0.000 1.543 299 V CA 0.195 62.486 62.300 -0.015 0.000 1.028 299 V CB 0.270 32.082 31.823 -0.019 0.000 0.840 299 V HN 0.085 nan 8.190 nan 0.000 0.435 300 G N 0.980 109.774 108.800 -0.010 0.000 2.132 300 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.228 300 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.228 300 G C 0.001 174.897 174.900 -0.007 0.000 1.000 300 G CA 0.002 45.097 45.100 -0.008 0.000 0.693 300 G HN 0.852 nan 8.290 nan 0.000 0.515 301 V N 1.548 121.458 119.914 -0.006 0.000 2.479 301 V HA 0.191 4.310 4.120 -0.001 0.000 0.281 301 V C 1.157 177.254 176.094 0.005 0.000 1.031 301 V CA 0.167 62.465 62.300 -0.003 0.000 1.038 301 V CB 1.085 32.908 31.823 -0.000 0.000 0.981 301 V HN 0.315 nan 8.190 nan 0.000 0.478 302 K N 5.213 125.617 120.400 0.007 0.000 2.270 302 K HA 0.480 4.799 4.320 -0.001 0.000 0.276 302 K C -0.626 175.985 176.600 0.017 0.000 1.023 302 K CA -0.323 55.971 56.287 0.011 0.000 0.955 302 K CB 0.995 33.501 32.500 0.010 0.000 0.975 302 K HN 0.493 nan 8.250 nan 0.000 0.471 303 L N 1.799 123.033 121.223 0.018 0.000 2.334 303 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 303 L C 0.840 177.723 176.870 0.021 0.000 1.013 303 L CA -0.867 53.987 54.840 0.023 0.000 0.816 303 L CB 1.853 43.927 42.059 0.024 0.000 1.278 303 L HN 0.765 nan 8.230 nan 0.000 0.431 304 T N -1.403 113.165 114.554 0.024 0.000 2.856 304 T HA 0.139 4.488 4.350 -0.001 0.000 0.306 304 T C -1.773 172.940 174.700 0.021 0.000 1.062 304 T CA -1.202 60.911 62.100 0.020 0.000 1.083 304 T CB 0.873 69.754 68.868 0.021 0.000 0.984 304 T HN 0.376 nan 8.240 nan 0.000 0.542 305 P HA -0.118 nan 4.420 nan 0.000 0.217 305 P C 1.007 178.321 177.300 0.023 0.000 1.151 305 P CA 1.240 64.351 63.100 0.018 0.000 0.849 305 P CB -0.025 31.684 31.700 0.015 0.000 0.787 306 K N -2.035 118.380 120.400 0.025 0.000 2.365 306 K HA 0.200 4.520 4.320 -0.001 0.000 0.199 306 K C 1.608 178.232 176.600 0.040 0.000 1.045 306 K CA 1.143 57.450 56.287 0.032 0.000 0.962 306 K CB -0.823 31.697 32.500 0.033 0.000 0.759 306 K HN 0.244 nan 8.250 nan 0.000 0.469 307 G N -0.788 108.035 108.800 0.038 0.000 2.192 307 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.193 307 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.193 307 G C 0.433 175.363 174.900 0.049 0.000 0.999 307 G CA -0.445 44.681 45.100 0.044 0.000 0.659 307 G HN 0.587 nan 8.290 nan 0.000 0.503 308 G N -0.460 108.369 108.800 0.048 0.000 2.504 308 G HA2 0.592 4.552 3.960 -0.001 0.000 0.288 308 G HA3 0.592 4.552 3.960 -0.001 0.000 0.288 308 G C 0.214 175.141 174.900 0.045 0.000 1.182 308 G CA 0.038 45.169 45.100 0.052 0.000 0.894 308 G HN 0.855 nan 8.290 nan 0.000 0.521 309 V N 1.090 121.034 119.914 0.050 0.000 2.508 309 V HA 0.085 4.205 4.120 -0.001 0.000 0.281 309 V C 0.767 176.886 176.094 0.042 0.000 1.041 309 V CA -0.060 62.267 62.300 0.046 0.000 1.016 309 V CB 0.977 32.833 31.823 0.056 0.000 0.984 309 V HN 0.807 nan 8.190 nan 0.000 0.478 310 Q N 3.775 123.595 119.800 0.035 0.000 2.352 310 Q HA 0.492 4.832 4.340 -0.001 0.000 0.260 310 Q C -0.707 175.318 176.000 0.042 0.000 0.976 310 Q CA -0.242 55.580 55.803 0.031 0.000 0.881 310 Q CB 1.322 30.075 28.738 0.025 0.000 1.235 310 Q HN 0.775 nan 8.270 nan 0.000 0.419 311 V N 0.397 120.338 119.914 0.044 0.000 3.012 311 V HA 0.456 4.576 4.120 -0.001 0.000 0.307 311 V C -0.856 175.275 176.094 0.063 0.000 1.166 311 V CA -1.220 61.120 62.300 0.067 0.000 0.974 311 V CB 1.768 33.641 31.823 0.083 0.000 1.040 311 V HN 0.933 nan 8.190 nan 0.000 0.428 312 D N 1.094 121.551 120.400 0.096 0.000 2.433 312 D HA 0.195 4.835 4.640 -0.001 0.000 0.255 312 D C 0.789 177.149 176.300 0.099 0.000 1.226 312 D CA -0.141 53.924 54.000 0.108 0.000 1.015 312 D CB 0.607 41.499 40.800 0.154 0.000 1.091 312 D HN 0.739 nan 8.370 nan 0.000 0.527 313 E N -1.066 119.179 120.200 0.074 0.000 2.396 313 E HA -0.132 4.218 4.350 -0.001 0.000 0.200 313 E C 0.698 177.170 176.600 -0.213 0.000 1.023 313 E CA 0.714 57.081 56.400 -0.056 0.000 0.857 313 E CB -0.439 29.193 29.700 -0.113 0.000 0.775 313 E HN 0.398 nan 8.360 nan 0.000 0.525 314 F N 0.050 120.039 119.950 0.066 0.000 2.641 314 F HA 0.188 4.715 4.527 -0.001 0.000 0.302 314 F C 0.751 176.595 175.800 0.074 0.000 1.098 314 F CA -0.096 57.938 58.000 0.057 0.000 1.318 314 F CB 0.543 39.566 39.000 0.039 0.000 1.035 314 F HN -0.238 nan 8.300 nan 0.000 0.551 315 S N -0.116 115.699 115.700 0.191 0.000 3.361 315 S HA -0.224 4.245 4.470 -0.001 0.000 0.288 315 S C 0.406 175.166 174.600 0.267 0.000 1.269 315 S CA 0.351 58.664 58.200 0.189 0.000 0.976 315 S CB -1.264 62.030 63.200 0.156 0.000 1.162 315 S HN 0.439 nan 8.310 nan 0.000 0.643 316 R N 2.135 122.798 120.500 0.273 0.000 2.254 316 R HA 0.442 4.782 4.340 -0.001 0.000 0.318 316 R C 0.980 177.352 176.300 0.119 0.000 1.031 316 R CA 0.172 56.421 56.100 0.248 0.000 0.905 316 R CB 0.773 31.214 30.300 0.235 0.000 1.050 316 R HN 0.450 nan 8.270 nan 0.000 0.456 317 T N -1.080 113.506 114.554 0.053 0.000 2.729 317 T HA -0.024 4.325 4.350 -0.001 0.000 0.298 317 T C 1.183 175.883 174.700 -0.000 0.000 1.013 317 T CA -0.210 61.901 62.100 0.019 0.000 0.957 317 T CB 0.515 69.380 68.868 -0.005 0.000 1.130 317 T HN 0.766 nan 8.240 nan 0.000 0.526 318 N N -0.837 117.862 118.700 -0.003 0.000 2.459 318 N HA 0.007 4.746 4.740 -0.001 0.000 0.181 318 N C -0.023 175.473 175.510 -0.024 0.000 1.046 318 N CA 0.050 53.097 53.050 -0.006 0.000 0.904 318 N CB -0.076 38.411 38.487 -0.001 0.000 0.964 318 N HN 0.326 nan 8.380 nan 0.000 0.444 319 V N 2.668 122.555 119.914 -0.044 0.000 2.364 319 V HA 0.336 4.456 4.120 -0.001 0.000 0.272 319 V C -1.927 174.101 176.094 -0.110 0.000 1.036 319 V CA -1.967 60.295 62.300 -0.064 0.000 0.880 319 V CB 1.112 32.897 31.823 -0.064 0.000 0.991 319 V HN 0.184 nan 8.190 nan 0.000 0.460 320 P HA 0.140 nan 4.420 nan 0.000 0.272 320 P C 0.331 177.493 177.300 -0.230 0.000 1.240 320 P CA 0.032 63.054 63.100 -0.130 0.000 0.791 320 P CB 0.433 32.096 31.700 -0.061 0.000 0.978 321 N N -2.018 116.469 118.700 -0.355 0.000 2.955 321 N HA -0.163 4.576 4.740 -0.001 0.000 0.230 321 N C -0.322 174.819 175.510 -0.615 0.000 0.891 321 N CA 0.432 53.275 53.050 -0.346 0.000 1.002 321 N CB -1.054 37.345 38.487 -0.147 0.000 1.063 321 N HN 0.448 nan 8.380 nan 0.000 0.601 322 I N 1.349 121.538 120.570 -0.634 0.000 2.354 322 I HA 0.363 4.532 4.170 -0.001 0.000 0.292 322 I C -0.561 175.240 176.117 -0.527 0.000 0.989 322 I CA -0.577 60.446 61.300 -0.462 0.000 1.188 322 I CB 0.668 38.565 38.000 -0.172 0.000 1.342 322 I HN -0.047 nan 8.210 nan 0.000 0.457 323 Y N 4.203 124.553 120.300 0.083 0.000 2.602 323 Y HA 0.832 5.381 4.550 -0.001 0.000 0.342 323 Y C 0.100 176.046 175.900 0.076 0.000 1.029 323 Y CA -1.093 57.054 58.100 0.079 0.000 1.080 323 Y CB 1.874 40.383 38.460 0.081 0.000 1.284 323 Y HN 0.575 nan 8.280 nan 0.000 0.485 324 A N 1.977 124.938 122.820 0.235 0.000 2.515 324 A HA 0.905 5.225 4.320 -0.001 0.000 0.298 324 A C -1.269 176.404 177.584 0.149 0.000 1.059 324 A CA -0.692 51.443 52.037 0.164 0.000 0.698 324 A CB 1.242 20.311 19.000 0.116 0.000 1.289 324 A HN 0.807 nan 8.150 nan 0.000 0.404 325 I N -1.388 119.260 120.570 0.130 0.000 3.095 325 I HA 0.921 5.090 4.170 -0.001 0.000 0.310 325 I C 0.495 176.677 176.117 0.110 0.000 1.196 325 I CA -0.290 61.080 61.300 0.117 0.000 0.985 325 I CB 1.934 39.999 38.000 0.108 0.000 1.250 325 I HN 1.978 nan 8.210 nan 0.000 0.446 326 G N 2.975 111.840 108.800 0.109 0.000 2.562 326 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.250 326 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.250 326 G C 0.054 175.020 174.900 0.110 0.000 1.269 326 G CA 0.724 45.890 45.100 0.109 0.000 0.919 326 G HN 0.863 nan 8.290 nan 0.000 0.574 327 D N -0.243 120.228 120.400 0.119 0.000 2.190 327 D HA -0.076 4.563 4.640 -0.001 0.000 0.200 327 D C 2.299 178.670 176.300 0.118 0.000 0.992 327 D CA 1.222 55.297 54.000 0.126 0.000 0.854 327 D CB -0.112 40.778 40.800 0.149 0.000 0.936 327 D HN 0.489 nan 8.370 nan 0.000 0.462 328 I N 0.571 121.209 120.570 0.114 0.000 2.530 328 I HA -0.227 3.943 4.170 -0.001 0.000 0.257 328 I C 1.476 177.645 176.117 0.086 0.000 1.179 328 I CA 1.317 62.678 61.300 0.102 0.000 1.440 328 I CB -0.022 38.036 38.000 0.097 0.000 1.087 328 I HN 0.084 nan 8.210 nan 0.000 0.440 329 T N -3.434 111.168 114.554 0.081 0.000 3.129 329 T HA 0.002 4.351 4.350 -0.001 0.000 0.251 329 T C 1.013 175.740 174.700 0.046 0.000 1.117 329 T CA 0.319 62.456 62.100 0.061 0.000 1.034 329 T CB -0.123 68.779 68.868 0.057 0.000 0.968 329 T HN 0.399 nan 8.240 nan 0.000 0.526 330 D N 0.743 121.180 120.400 0.061 0.000 2.837 330 D HA -0.171 4.468 4.640 -0.001 0.000 0.230 330 D C 0.613 176.933 176.300 0.033 0.000 1.152 330 D CA 0.598 54.632 54.000 0.057 0.000 0.736 330 D CB -0.811 40.022 40.800 0.054 0.000 1.084 330 D HN 0.632 nan 8.370 nan 0.000 0.429 331 R N -0.748 119.765 120.500 0.022 0.000 1.589 331 R HA 0.489 4.829 4.340 -0.001 0.000 0.112 331 R C 0.469 176.786 176.300 0.028 0.000 1.790 331 R CA -0.435 55.658 56.100 -0.012 0.000 1.885 331 R CB 0.063 30.308 30.300 -0.091 0.000 1.244 331 R HN 0.060 nan 8.270 nan 0.000 0.571 332 L N 2.539 123.793 121.223 0.051 0.000 2.360 332 L HA 0.237 4.577 4.340 -0.001 0.000 0.276 332 L C 0.123 177.044 176.870 0.085 0.000 1.121 332 L CA 0.307 55.189 54.840 0.071 0.000 0.845 332 L CB 1.023 43.142 42.059 0.100 0.000 1.143 332 L HN 0.523 nan 8.230 nan 0.000 0.452 333 M N 6.338 125.986 119.600 0.081 0.000 3.307 333 M HA 0.393 4.873 4.480 -0.001 0.000 0.222 333 M C -1.094 175.266 176.300 0.101 0.000 1.243 333 M CA -0.040 55.328 55.300 0.112 0.000 1.270 333 M CB 0.124 32.817 32.600 0.155 0.000 1.187 333 M HN 0.465 nan 8.290 nan 0.000 0.598 334 L N -1.255 120.014 121.223 0.076 0.000 2.393 334 L HA 0.465 4.804 4.340 -0.001 0.000 0.260 334 L C 1.202 178.112 176.870 0.068 0.000 1.002 334 L CA -0.491 54.382 54.840 0.055 0.000 0.818 334 L CB 2.156 44.222 42.059 0.011 0.000 1.369 334 L HN 0.116 nan 8.230 nan 0.000 0.412 335 T N 0.889 115.486 114.554 0.071 0.000 2.622 335 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 335 T C -1.104 173.624 174.700 0.047 0.000 1.047 335 T CA 1.916 64.056 62.100 0.067 0.000 1.159 335 T CB -0.501 68.409 68.868 0.071 0.000 0.863 335 T HN 0.469 nan 8.240 nan 0.000 0.422 336 P HA -0.023 nan 4.420 nan 0.000 0.218 336 P C 1.555 178.862 177.300 0.012 0.000 1.148 336 P CA 0.601 63.713 63.100 0.019 0.000 0.822 336 P CB -0.181 31.527 31.700 0.014 0.000 0.784 337 V N 0.122 120.046 119.914 0.017 0.000 2.343 337 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 337 V C 2.428 178.540 176.094 0.029 0.000 1.051 337 V CA 2.310 64.617 62.300 0.012 0.000 1.036 337 V CB -1.720 30.126 31.823 0.039 0.000 0.654 337 V HN 0.122 nan 8.190 nan 0.000 0.451 338 A N -0.289 122.562 122.820 0.052 0.000 1.929 338 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 338 A C 2.185 179.800 177.584 0.052 0.000 1.176 338 A CA 1.521 53.598 52.037 0.066 0.000 0.628 338 A CB -0.482 18.566 19.000 0.080 0.000 0.816 338 A HN 0.489 nan 8.150 nan 0.000 0.444 339 I N 0.039 120.631 120.570 0.037 0.000 2.208 339 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 339 I C 2.529 178.659 176.117 0.023 0.000 1.097 339 I CA 1.551 62.867 61.300 0.027 0.000 1.363 339 I CB -0.400 37.608 38.000 0.012 0.000 1.051 339 I HN 0.495 nan 8.210 nan 0.000 0.413 340 N N 0.865 119.570 118.700 0.007 0.000 2.188 340 N HA -0.201 4.539 4.740 -0.001 0.000 0.184 340 N C 1.695 177.201 175.510 -0.006 0.000 1.018 340 N CA 1.317 54.362 53.050 -0.008 0.000 0.858 340 N CB 0.101 38.564 38.487 -0.041 0.000 0.989 340 N HN 0.449 nan 8.380 nan 0.000 0.426 341 E N -0.261 119.942 120.200 0.005 0.000 2.110 341 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 341 E C 2.013 178.636 176.600 0.040 0.000 0.988 341 E CA 0.980 57.395 56.400 0.025 0.000 0.804 341 E CB -0.262 29.478 29.700 0.066 0.000 0.745 341 E HN 0.413 nan 8.360 nan 0.000 0.458 342 G N 1.511 110.341 108.800 0.050 0.000 2.421 342 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 342 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 342 G C 1.751 176.691 174.900 0.067 0.000 1.171 342 G CA 0.892 46.030 45.100 0.062 0.000 0.775 342 G HN 0.347 nan 8.290 nan 0.000 0.543 343 A N 1.134 123.992 122.820 0.063 0.000 1.908 343 A HA 0.229 4.548 4.320 -0.001 0.000 0.218 343 A C 2.787 180.418 177.584 0.079 0.000 1.181 343 A CA 2.408 54.493 52.037 0.079 0.000 0.627 343 A CB -0.755 18.281 19.000 0.061 0.000 0.818 343 A HN 0.813 nan 8.150 nan 0.000 0.445 344 A N -0.700 122.148 122.820 0.047 0.000 1.968 344 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 344 A C 2.109 179.717 177.584 0.040 0.000 1.169 344 A CA 1.466 53.529 52.037 0.044 0.000 0.638 344 A CB -0.564 18.442 19.000 0.011 0.000 0.812 344 A HN 0.700 nan 8.150 nan 0.000 0.446 345 L N -0.063 121.169 121.223 0.015 0.000 1.970 345 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 345 L C 2.344 179.142 176.870 -0.119 0.000 1.071 345 L CA 2.220 57.021 54.840 -0.065 0.000 0.751 345 L CB -0.657 41.353 42.059 -0.082 0.000 0.889 345 L HN 0.128 nan 8.230 nan 0.000 0.432 346 V N 0.199 120.115 119.914 0.003 0.000 2.332 346 V HA -0.334 3.785 4.120 -0.001 0.000 0.248 346 V C 2.345 178.471 176.094 0.054 0.000 1.055 346 V CA 2.104 64.478 62.300 0.123 0.000 1.038 346 V CB -0.841 31.152 31.823 0.283 0.000 0.651 346 V HN 0.541 nan 8.190 nan 0.000 0.450 347 D N -0.314 120.151 120.400 0.109 0.000 2.123 347 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 347 D C 2.284 178.536 176.300 -0.080 0.000 0.992 347 D CA 1.946 55.992 54.000 0.077 0.000 0.833 347 D CB -0.330 40.548 40.800 0.130 0.000 0.954 347 D HN 0.411 nan 8.370 nan 0.000 0.455 348 T N -0.365 114.144 114.554 -0.075 0.000 2.904 348 T HA -0.023 4.326 4.350 -0.001 0.000 0.267 348 T C 2.035 176.579 174.700 -0.261 0.000 1.059 348 T CA 0.437 62.474 62.100 -0.105 0.000 1.137 348 T CB 0.153 69.016 68.868 -0.009 0.000 0.879 348 T HN -0.026 nan 8.240 nan 0.000 0.467 349 V N -0.431 119.235 119.914 -0.414 0.000 2.795 349 V HA 0.223 4.343 4.120 -0.001 0.000 0.243 349 V C 0.881 176.438 176.094 -0.894 0.000 1.069 349 V CA 0.886 62.746 62.300 -0.733 0.000 1.089 349 V CB -0.046 31.140 31.823 -1.063 0.000 0.756 349 V HN 0.391 nan 8.190 nan 0.000 0.471 350 F N 0.139 119.835 119.950 -0.422 0.000 2.698 350 F HA 0.610 5.136 4.527 -0.001 0.000 0.304 350 F C 0.872 176.169 175.800 -0.838 0.000 1.108 350 F CA -0.271 57.432 58.000 -0.494 0.000 1.263 350 F CB 0.503 39.267 39.000 -0.393 0.000 1.013 350 F HN 0.108 nan 8.300 nan 0.000 0.532 351 G N -0.631 107.813 108.800 -0.593 0.000 2.519 351 G HA2 0.176 4.136 3.960 -0.001 0.000 0.307 351 G HA3 0.176 4.136 3.960 -0.001 0.000 0.307 351 G C 0.192 174.977 174.900 -0.190 0.000 1.266 351 G CA -0.529 44.249 45.100 -0.537 0.000 0.970 351 G HN -0.069 nan 8.290 nan 0.000 0.481 352 N N -0.912 117.747 118.700 -0.068 0.000 2.405 352 N HA -0.139 4.601 4.740 -0.001 0.000 0.189 352 N C 0.502 176.007 175.510 -0.009 0.000 1.021 352 N CA 1.137 54.181 53.050 -0.010 0.000 0.891 352 N CB 0.078 38.593 38.487 0.047 0.000 0.955 352 N HN 0.384 nan 8.380 nan 0.000 0.443 353 K N -0.011 120.383 120.400 -0.010 0.000 2.705 353 K HA 0.320 4.639 4.320 -0.001 0.000 0.238 353 K C -2.857 173.759 176.600 0.026 0.000 0.996 353 K CA -2.198 54.101 56.287 0.020 0.000 1.007 353 K CB 1.389 33.922 32.500 0.056 0.000 1.206 353 K HN -0.171 nan 8.250 nan 0.000 0.488 354 P HA 0.125 nan 4.420 nan 0.000 0.268 354 P C -0.977 176.438 177.300 0.192 0.000 1.208 354 P CA -0.219 62.931 63.100 0.082 0.000 0.777 354 P CB 0.697 32.402 31.700 0.009 0.000 0.875 355 R N 0.787 121.495 120.500 0.347 0.000 2.633 355 R HA 0.189 4.528 4.340 -0.001 0.000 0.256 355 R C -0.904 175.393 176.300 -0.005 0.000 1.131 355 R CA -0.699 55.512 56.100 0.185 0.000 0.994 355 R CB 1.544 31.896 30.300 0.088 0.000 1.261 355 R HN 0.503 nan 8.270 nan 0.000 0.446 356 K N 1.971 122.231 120.400 -0.234 0.000 2.307 356 K HA 0.365 4.685 4.320 -0.001 0.000 0.263 356 K C -0.651 175.812 176.600 -0.229 0.000 0.973 356 K CA -0.753 55.264 56.287 -0.450 0.000 0.846 356 K CB 1.996 34.051 32.500 -0.742 0.000 1.100 356 K HN 0.234 nan 8.250 nan 0.000 0.438 357 T N 2.710 117.144 114.554 -0.201 0.000 2.908 357 T HA -0.085 4.264 4.350 -0.001 0.000 0.301 357 T C -0.227 174.275 174.700 -0.330 0.000 1.019 357 T CA 0.429 62.383 62.100 -0.244 0.000 1.152 357 T CB 0.202 68.904 68.868 -0.276 0.000 0.966 357 T HN 0.547 nan 8.240 nan 0.000 0.540 358 D N 1.375 121.609 120.400 -0.277 0.000 2.295 358 D HA 0.045 4.685 4.640 -0.001 0.000 0.248 358 D C 0.771 176.887 176.300 -0.307 0.000 1.154 358 D CA -0.287 53.591 54.000 -0.204 0.000 0.857 358 D CB 0.480 41.220 40.800 -0.099 0.000 1.117 358 D HN 0.568 nan 8.370 nan 0.000 0.468 359 H N 2.171 121.225 119.070 -0.027 0.000 2.517 359 H HA 0.110 4.666 4.556 -0.001 0.000 0.282 359 H C 0.412 175.731 175.328 -0.014 0.000 1.023 359 H CA 0.135 56.172 56.048 -0.020 0.000 1.169 359 H CB 0.313 30.063 29.762 -0.020 0.000 1.454 359 H HN 0.374 nan 8.280 nan 0.000 0.556 360 T N -1.969 112.617 114.554 0.055 0.000 2.945 360 T HA 0.369 4.718 4.350 -0.001 0.000 0.286 360 T C 0.580 175.291 174.700 0.019 0.000 1.025 360 T CA -0.942 61.185 62.100 0.043 0.000 1.039 360 T CB 2.093 70.989 68.868 0.046 0.000 1.068 360 T HN 0.236 nan 8.240 nan 0.000 0.497 361 R N -0.687 119.826 120.500 0.022 0.000 3.516 361 R HA -0.098 4.242 4.340 -0.001 0.000 0.271 361 R C -0.596 175.704 176.300 -0.001 0.000 1.098 361 R CA 0.302 56.409 56.100 0.011 0.000 0.732 361 R CB -2.402 27.907 30.300 0.014 0.000 1.152 361 R HN 0.545 nan 8.270 nan 0.000 0.455 362 V N 1.123 121.035 119.914 -0.004 0.000 2.408 362 V HA 0.429 4.549 4.120 -0.001 0.000 0.267 362 V C 1.029 177.117 176.094 -0.011 0.000 1.047 362 V CA -0.079 62.215 62.300 -0.012 0.000 0.937 362 V CB 1.403 33.219 31.823 -0.012 0.000 0.999 362 V HN 0.389 nan 8.190 nan 0.000 0.472 363 A N 5.131 127.947 122.820 -0.007 0.000 2.454 363 A HA 0.655 4.975 4.320 -0.001 0.000 0.260 363 A C 0.530 178.110 177.584 -0.005 0.000 1.106 363 A CA 0.245 52.281 52.037 -0.002 0.000 0.780 363 A CB 0.225 19.228 19.000 0.004 0.000 1.044 363 A HN 1.121 nan 8.150 nan 0.000 0.498 364 S N 0.994 116.691 115.700 -0.005 0.000 2.685 364 S HA 0.919 5.389 4.470 -0.001 0.000 0.282 364 S C -0.496 174.093 174.600 -0.019 0.000 1.159 364 S CA -0.128 58.061 58.200 -0.017 0.000 0.833 364 S CB 1.635 64.812 63.200 -0.039 0.000 1.151 364 S HN 2.187 nan 8.310 nan 0.000 0.485 365 A N 0.101 122.877 122.820 -0.074 0.000 2.527 365 A HA 0.861 5.181 4.320 -0.001 0.000 0.293 365 A C -1.473 175.968 177.584 -0.238 0.000 1.117 365 A CA -0.824 51.089 52.037 -0.206 0.000 0.723 365 A CB 1.708 20.461 19.000 -0.412 0.000 1.313 365 A HN 1.226 nan 8.150 nan 0.000 0.411 366 V N 0.810 120.510 119.914 -0.357 0.000 2.443 366 V HA 0.351 4.470 4.120 -0.001 0.000 0.293 366 V C -1.185 174.707 176.094 -0.337 0.000 1.021 366 V CA -0.087 62.063 62.300 -0.250 0.000 0.848 366 V CB 1.211 32.852 31.823 -0.302 0.000 0.998 366 V HN 0.749 nan 8.190 nan 0.000 0.424 367 F N 3.457 123.401 119.950 -0.010 0.000 2.733 367 F HA 0.213 4.740 4.527 -0.001 0.000 0.344 367 F C 1.483 177.246 175.800 -0.061 0.000 1.179 367 F CA -0.251 57.727 58.000 -0.037 0.000 1.316 367 F CB 0.029 39.010 39.000 -0.033 0.000 1.577 367 F HN 0.537 nan 8.300 nan 0.000 0.591 368 S N -0.138 115.559 115.700 -0.006 0.000 2.600 368 S HA 0.516 4.986 4.470 -0.001 0.000 0.265 368 S C -0.159 174.427 174.600 -0.023 0.000 1.325 368 S CA -0.723 57.456 58.200 -0.035 0.000 1.002 368 S CB 1.312 64.452 63.200 -0.100 0.000 0.921 368 S HN 0.273 nan 8.310 nan 0.000 0.554 369 I N 2.333 122.887 120.570 -0.026 0.000 2.312 369 I HA 0.344 4.514 4.170 -0.001 0.000 0.290 369 I C -2.256 173.846 176.117 -0.026 0.000 1.008 369 I CA -2.279 59.007 61.300 -0.022 0.000 1.226 369 I CB 1.124 39.112 38.000 -0.020 0.000 1.371 369 I HN 0.448 nan 8.210 nan 0.000 0.468 370 P HA 0.281 nan 4.420 nan 0.000 0.275 370 P C -2.562 174.690 177.300 -0.081 0.000 1.266 370 P CA -1.092 61.979 63.100 -0.048 0.000 0.793 370 P CB -0.027 31.638 31.700 -0.058 0.000 1.074 371 P HA 0.405 nan 4.420 nan 0.000 0.287 371 P C -0.700 176.465 177.300 -0.226 0.000 1.296 371 P CA -0.356 62.641 63.100 -0.172 0.000 0.811 371 P CB 0.975 32.539 31.700 -0.226 0.000 1.211 372 I N -0.421 119.979 120.570 -0.282 0.000 2.441 372 I HA 0.545 4.715 4.170 -0.001 0.000 0.295 372 I C 0.701 176.694 176.117 -0.207 0.000 0.994 372 I CA -0.475 60.677 61.300 -0.248 0.000 1.144 372 I CB 1.790 39.612 38.000 -0.296 0.000 1.314 372 I HN 0.322 nan 8.210 nan 0.000 0.445 373 G N 2.631 111.362 108.800 -0.115 0.000 2.461 373 G HA2 0.623 4.583 3.960 -0.001 0.000 0.323 373 G HA3 0.623 4.583 3.960 -0.001 0.000 0.323 373 G C -1.080 173.840 174.900 0.033 0.000 1.229 373 G CA -0.298 44.770 45.100 -0.053 0.000 0.941 373 G HN 0.462 nan 8.290 nan 0.000 0.477 374 T N -0.250 114.343 114.554 0.065 0.000 2.956 374 T HA 0.498 4.848 4.350 -0.001 0.000 0.312 374 T C -1.518 173.204 174.700 0.037 0.000 1.151 374 T CA -0.397 61.769 62.100 0.111 0.000 1.024 374 T CB 1.386 70.420 68.868 0.277 0.000 1.140 374 T HN 0.878 nan 8.240 nan 0.000 0.473 375 C N 3.935 123.218 119.300 -0.027 0.000 2.620 375 C HA 0.865 5.324 4.460 -0.001 0.000 0.356 375 C C 0.565 175.508 174.990 -0.078 0.000 1.082 375 C CA 1.047 60.041 59.018 -0.039 0.000 1.293 375 C CB -0.461 27.262 27.740 -0.030 0.000 1.836 375 C HN 1.531 nan 8.230 nan 0.000 0.453 376 G N 4.686 113.483 108.800 -0.005 0.000 2.447 376 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.220 376 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.220 376 G C -1.027 173.940 174.900 0.112 0.000 1.261 376 G CA -0.514 44.599 45.100 0.022 0.000 1.000 376 G HN 1.037 nan 8.290 nan 0.000 0.515 377 L N 1.235 122.529 121.223 0.118 0.000 2.410 377 L HA 0.431 4.771 4.340 -0.001 0.000 0.273 377 L C 1.494 178.524 176.870 0.266 0.000 1.152 377 L CA -0.431 54.499 54.840 0.151 0.000 0.855 377 L CB 0.498 42.643 42.059 0.144 0.000 1.129 377 L HN 0.658 nan 8.230 nan 0.000 0.463 378 I N -0.100 120.532 120.570 0.104 0.000 2.638 378 I HA 0.101 4.271 4.170 -0.001 0.000 0.286 378 I C 1.435 177.552 176.117 0.000 0.000 1.088 378 I CA -0.565 60.694 61.300 -0.067 0.000 1.397 378 I CB 0.906 38.755 38.000 -0.251 0.000 1.414 378 I HN 0.849 nan 8.210 nan 0.000 0.566 379 E N 4.951 125.155 120.200 0.008 0.000 2.097 379 E HA -0.306 4.044 4.350 -0.001 0.000 0.196 379 E C 1.289 177.752 176.600 -0.228 0.000 1.000 379 E CA 1.976 58.362 56.400 -0.023 0.000 0.804 379 E CB -0.455 29.312 29.700 0.112 0.000 0.740 379 E HN 0.871 nan 8.360 nan 0.000 0.454 380 E N 1.368 121.450 120.200 -0.197 0.000 2.160 380 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 380 E C 2.381 178.889 176.600 -0.154 0.000 0.991 380 E CA 1.621 57.888 56.400 -0.222 0.000 0.810 380 E CB -0.527 29.120 29.700 -0.089 0.000 0.742 380 E HN 0.319 nan 8.360 nan 0.000 0.466 381 V N 2.386 122.250 119.914 -0.085 0.000 2.255 381 V HA -0.192 3.927 4.120 -0.001 0.000 0.243 381 V C 2.791 178.880 176.094 -0.008 0.000 1.038 381 V CA 1.721 63.997 62.300 -0.040 0.000 1.008 381 V CB -1.138 30.678 31.823 -0.012 0.000 0.645 381 V HN 0.406 nan 8.190 nan 0.000 0.449 382 A N 0.565 123.418 122.820 0.054 0.000 1.944 382 A HA -0.366 3.953 4.320 -0.001 0.000 0.222 382 A C 2.353 180.039 177.584 0.170 0.000 1.237 382 A CA 3.087 55.245 52.037 0.201 0.000 0.668 382 A CB -1.119 17.982 19.000 0.169 0.000 0.830 382 A HN 0.733 nan 8.150 nan 0.000 0.471 383 A N -1.392 121.402 122.820 -0.043 0.000 2.070 383 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 383 A C 2.053 179.631 177.584 -0.010 0.000 1.159 383 A CA 1.838 53.826 52.037 -0.082 0.000 0.656 383 A CB -0.343 18.387 19.000 -0.449 0.000 0.800 383 A HN 0.590 nan 8.150 nan 0.000 0.453 384 K N -0.844 119.534 120.400 -0.037 0.000 2.296 384 K HA -0.006 4.314 4.320 -0.001 0.000 0.200 384 K C 1.436 177.987 176.600 -0.080 0.000 1.048 384 K CA 1.165 57.426 56.287 -0.043 0.000 0.966 384 K CB 0.071 32.541 32.500 -0.050 0.000 0.754 384 K HN 0.599 nan 8.250 nan 0.000 0.466 385 E N -1.233 118.882 120.200 -0.141 0.000 2.413 385 E HA 0.107 4.457 4.350 -0.001 0.000 0.203 385 E C -0.648 175.612 176.600 -0.566 0.000 0.957 385 E CA 0.012 56.171 56.400 -0.402 0.000 0.950 385 E CB 0.569 29.905 29.700 -0.608 0.000 0.957 385 E HN -0.013 nan 8.360 nan 0.000 0.497 386 F N 0.150 120.120 119.950 0.033 0.000 2.540 386 F HA 0.237 4.763 4.527 -0.001 0.000 0.317 386 F C 1.127 176.968 175.800 0.068 0.000 1.104 386 F CA -0.932 57.100 58.000 0.053 0.000 0.913 386 F CB 1.813 40.853 39.000 0.067 0.000 1.170 386 F HN -0.267 nan 8.300 nan 0.000 0.450 387 E N 1.607 121.954 120.200 0.245 0.000 2.049 387 E HA -0.138 4.212 4.350 -0.001 0.000 0.198 387 E C -0.236 176.482 176.600 0.196 0.000 1.007 387 E CA 1.757 58.260 56.400 0.172 0.000 0.809 387 E CB 0.144 29.924 29.700 0.134 0.000 0.749 387 E HN 0.437 nan 8.360 nan 0.000 0.450 388 K N -0.336 120.202 120.400 0.230 0.000 2.535 388 K HA 0.432 4.752 4.320 -0.001 0.000 0.253 388 K C -1.566 175.200 176.600 0.277 0.000 0.953 388 K CA -0.506 55.922 56.287 0.235 0.000 0.863 388 K CB 2.712 35.338 32.500 0.209 0.000 1.111 388 K HN -0.155 nan 8.250 nan 0.000 0.431 389 V N 2.139 122.236 119.914 0.305 0.000 2.555 389 V HA 0.693 4.813 4.120 -0.001 0.000 0.302 389 V C -0.556 175.702 176.094 0.272 0.000 1.038 389 V CA -0.657 61.805 62.300 0.270 0.000 0.887 389 V CB 1.759 33.739 31.823 0.261 0.000 0.991 389 V HN 0.900 nan 8.190 nan 0.000 0.434 390 A N 4.347 127.255 122.820 0.147 0.000 2.356 390 A HA 0.922 5.242 4.320 -0.001 0.000 0.323 390 A C -1.127 176.310 177.584 -0.245 0.000 1.119 390 A CA -0.588 51.335 52.037 -0.189 0.000 0.790 390 A CB 1.891 20.686 19.000 -0.342 0.000 1.273 390 A HN 0.664 nan 8.150 nan 0.000 0.452 391 V N 1.702 121.269 119.914 -0.578 0.000 2.483 391 V HA 0.357 4.476 4.120 -0.001 0.000 0.297 391 V C -1.485 174.202 176.094 -0.678 0.000 1.027 391 V CA -0.314 61.678 62.300 -0.513 0.000 0.855 391 V CB 1.022 32.426 31.823 -0.697 0.000 0.995 391 V HN 0.773 nan 8.190 nan 0.000 0.424 392 Y N 5.137 125.263 120.300 -0.290 0.000 2.330 392 Y HA 0.754 5.304 4.550 -0.001 0.000 0.336 392 Y C 0.183 175.990 175.900 -0.156 0.000 1.036 392 Y CA -0.653 57.315 58.100 -0.222 0.000 1.125 392 Y CB 1.840 40.202 38.460 -0.164 0.000 1.194 392 Y HN 0.687 nan 8.280 nan 0.000 0.469 393 M N 3.350 122.958 119.600 0.014 0.000 2.271 393 M HA 0.584 5.064 4.480 -0.001 0.000 0.285 393 M C -1.649 174.709 176.300 0.097 0.000 1.059 393 M CA -0.235 55.088 55.300 0.039 0.000 0.940 393 M CB 1.890 34.486 32.600 -0.006 0.000 1.636 393 M HN 0.463 nan 8.290 nan 0.000 0.460 394 S N 2.649 118.447 115.700 0.163 0.000 2.594 394 S HA 0.745 5.215 4.470 -0.001 0.000 0.296 394 S C -1.395 173.406 174.600 0.334 0.000 1.124 394 S CA -0.404 57.943 58.200 0.245 0.000 1.011 394 S CB 1.766 65.118 63.200 0.253 0.000 1.016 394 S HN 0.817 nan 8.310 nan 0.000 0.485 395 S N 5.146 121.039 115.700 0.321 0.000 2.386 395 S HA 0.475 4.944 4.470 -0.001 0.000 0.152 395 S C -0.664 174.059 174.600 0.205 0.000 1.511 395 S CA -0.794 57.519 58.200 0.188 0.000 1.246 395 S CB -0.703 62.550 63.200 0.090 0.000 1.338 395 S HN 0.648 nan 8.310 nan 0.000 0.409 396 F N 0.807 120.833 119.950 0.127 0.000 2.380 396 F HA 0.763 5.290 4.527 -0.001 0.000 0.319 396 F C 0.378 176.249 175.800 0.118 0.000 1.113 396 F CA -1.033 57.029 58.000 0.103 0.000 1.056 396 F CB -0.353 38.702 39.000 0.090 0.000 1.289 396 F HN 0.096 nan 8.300 nan 0.000 0.515 397 T N 2.936 117.537 114.554 0.078 0.000 2.733 397 T HA 0.352 4.702 4.350 -0.001 0.000 0.294 397 T C -2.510 172.295 174.700 0.175 0.000 0.956 397 T CA -1.090 61.017 62.100 0.011 0.000 0.987 397 T CB 0.580 69.473 68.868 0.042 0.000 0.920 397 T HN 0.337 nan 8.240 nan 0.000 0.470 398 P HA 0.023 nan 4.420 nan 0.000 0.265 398 P C 0.924 178.344 177.300 0.200 0.000 1.187 398 P CA -0.338 62.948 63.100 0.310 0.000 0.766 398 P CB 0.524 32.352 31.700 0.213 0.000 0.820 399 L N 4.438 125.761 121.223 0.166 0.000 2.083 399 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 399 L C 2.149 179.069 176.870 0.084 0.000 1.083 399 L CA 1.832 56.735 54.840 0.104 0.000 0.752 399 L CB -0.947 41.156 42.059 0.073 0.000 0.899 399 L HN 0.444 nan 8.230 nan 0.000 0.433 400 M N -2.028 117.611 119.600 0.066 0.000 2.149 400 M HA -0.218 4.262 4.480 -0.001 0.000 0.261 400 M C 1.592 177.949 176.300 0.095 0.000 1.064 400 M CA 1.928 57.296 55.300 0.114 0.000 1.102 400 M CB -0.810 31.768 32.600 -0.037 0.000 1.369 400 M HN 0.178 nan 8.290 nan 0.000 0.408 401 H N 0.519 119.659 119.070 0.116 0.000 2.539 401 H HA 0.197 4.752 4.556 -0.001 0.000 0.267 401 H C 0.996 176.322 175.328 -0.003 0.000 0.982 401 H CA 0.398 56.471 56.048 0.041 0.000 1.146 401 H CB -0.290 29.445 29.762 -0.046 0.000 1.382 401 H HN 0.572 nan 8.280 nan 0.000 0.577 402 N N 0.408 119.165 118.700 0.096 0.000 2.376 402 N HA -0.044 4.696 4.740 -0.001 0.000 0.177 402 N C 1.471 176.960 175.510 -0.036 0.000 1.024 402 N CA 0.450 53.520 53.050 0.033 0.000 0.893 402 N CB 0.327 38.834 38.487 0.032 0.000 0.980 402 N HN 0.270 nan 8.380 nan 0.000 0.439 403 I N -0.025 120.479 120.570 -0.111 0.000 3.603 403 I HA -0.018 4.152 4.170 -0.001 0.000 0.297 403 I C 1.870 177.786 176.117 -0.335 0.000 1.269 403 I CA 0.432 61.538 61.300 -0.323 0.000 1.361 403 I CB 0.043 37.668 38.000 -0.625 0.000 1.063 403 I HN 0.032 nan 8.210 nan 0.000 0.448 404 S N -0.753 114.905 115.700 -0.070 0.000 2.511 404 S HA 0.380 4.850 4.470 -0.001 0.000 0.214 404 S C 1.728 176.398 174.600 0.117 0.000 0.997 404 S CA 0.461 58.746 58.200 0.142 0.000 0.908 404 S CB 0.421 63.892 63.200 0.451 0.000 0.803 404 S HN 0.468 nan 8.310 nan 0.000 0.504 405 G N 0.912 109.746 108.800 0.057 0.000 2.254 405 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.225 405 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.225 405 G C 0.421 175.326 174.900 0.009 0.000 1.003 405 G CA 0.062 45.188 45.100 0.042 0.000 0.622 405 G HN 0.686 nan 8.290 nan 0.000 0.507 406 S N 1.363 117.017 115.700 -0.076 0.000 3.983 406 S HA 0.300 4.769 4.470 -0.001 0.000 0.194 406 S C 1.376 175.646 174.600 -0.550 0.000 1.464 406 S CA 0.275 58.185 58.200 -0.483 0.000 1.021 406 S CB 0.551 63.275 63.200 -0.794 0.000 1.424 406 S HN 0.568 nan 8.310 nan 0.000 0.473 407 K N 0.590 120.864 120.400 -0.209 0.000 2.442 407 K HA -0.149 4.171 4.320 -0.001 0.000 0.198 407 K C 1.416 177.959 176.600 -0.096 0.000 1.044 407 K CA 1.111 57.336 56.287 -0.103 0.000 0.948 407 K CB -0.362 32.138 32.500 -0.001 0.000 0.762 407 K HN 0.784 nan 8.250 nan 0.000 0.472 408 Y N 0.306 120.575 120.300 -0.052 0.000 2.421 408 Y HA -0.006 4.543 4.550 -0.001 0.000 0.292 408 Y C 0.397 176.238 175.900 -0.099 0.000 1.136 408 Y CA 0.262 58.322 58.100 -0.066 0.000 1.255 408 Y CB -0.340 38.080 38.460 -0.066 0.000 0.991 408 Y HN -0.228 nan 8.280 nan 0.000 0.552 409 K N 2.906 123.042 120.400 -0.440 0.000 2.278 409 K HA 0.110 4.430 4.320 -0.001 0.000 0.237 409 K C -0.473 176.004 176.600 -0.206 0.000 1.229 409 K CA -0.014 56.049 56.287 -0.373 0.000 1.155 409 K CB -0.001 32.042 32.500 -0.761 0.000 1.590 409 K HN 0.336 nan 8.250 nan 0.000 0.290 410 K N 1.372 121.691 120.400 -0.135 0.000 2.368 410 K HA 0.048 4.368 4.320 -0.001 0.000 0.282 410 K C -0.047 176.423 176.600 -0.217 0.000 1.035 410 K CA -0.248 55.942 56.287 -0.161 0.000 0.973 410 K CB 0.446 32.877 32.500 -0.115 0.000 0.957 410 K HN 0.160 nan 8.250 nan 0.000 0.474 411 F N 2.802 122.421 119.950 -0.551 0.000 2.484 411 F HA 0.072 4.599 4.527 -0.001 0.000 0.360 411 F C -0.149 175.424 175.800 -0.379 0.000 1.101 411 F CA -0.189 57.478 58.000 -0.554 0.000 1.251 411 F CB 0.717 39.205 39.000 -0.854 0.000 1.132 411 F HN 0.098 nan 8.300 nan 0.000 0.570 412 V N 5.533 125.101 119.914 -0.576 0.000 2.444 412 V HA 0.673 4.792 4.120 -0.001 0.000 0.294 412 V C -0.321 175.684 176.094 -0.149 0.000 1.022 412 V CA -0.850 61.317 62.300 -0.222 0.000 0.850 412 V CB 1.089 32.801 31.823 -0.185 0.000 0.992 412 V HN 0.931 nan 8.190 nan 0.000 0.426 413 A N 5.181 128.118 122.820 0.196 0.000 2.303 413 A HA 0.843 5.162 4.320 -0.001 0.000 0.320 413 A C -0.360 177.301 177.584 0.129 0.000 1.192 413 A CA -0.676 51.495 52.037 0.222 0.000 0.821 413 A CB 0.881 20.109 19.000 0.380 0.000 1.188 413 A HN 0.791 nan 8.150 nan 0.000 0.492 414 K N 2.184 122.635 120.400 0.086 0.000 2.397 414 K HA 0.644 4.963 4.320 -0.001 0.000 0.253 414 K C -1.403 175.199 176.600 0.003 0.000 0.932 414 K CA -0.282 56.050 56.287 0.075 0.000 0.795 414 K CB 2.317 34.895 32.500 0.129 0.000 1.159 414 K HN 0.679 nan 8.250 nan 0.000 0.424 415 I N 2.770 123.336 120.570 -0.007 0.000 2.389 415 I HA 0.304 4.473 4.170 -0.001 0.000 0.288 415 I C -0.471 175.673 176.117 0.046 0.000 0.999 415 I CA -1.294 59.956 61.300 -0.084 0.000 1.129 415 I CB 1.817 39.675 38.000 -0.236 0.000 1.288 415 I HN 0.158 nan 8.210 nan 0.000 0.444 416 V N 4.862 124.782 119.914 0.010 0.000 2.427 416 V HA 0.504 4.624 4.120 -0.001 0.000 0.286 416 V C 0.400 176.509 176.094 0.025 0.000 1.034 416 V CA -0.288 62.047 62.300 0.059 0.000 0.893 416 V CB 1.589 33.477 31.823 0.108 0.000 0.982 416 V HN 0.911 nan 8.190 nan 0.000 0.452 417 T N 0.588 115.178 114.554 0.061 0.000 2.916 417 T HA 0.437 4.787 4.350 -0.001 0.000 0.292 417 T C -0.415 174.244 174.700 -0.068 0.000 1.055 417 T CA -0.886 61.223 62.100 0.016 0.000 1.009 417 T CB 1.761 70.709 68.868 0.134 0.000 1.118 417 T HN 0.455 nan 8.240 nan 0.000 0.497 418 N N 0.249 118.817 118.700 -0.220 0.000 2.411 418 N HA 0.081 4.821 4.740 -0.001 0.000 0.259 418 N C 0.513 176.002 175.510 -0.034 0.000 1.103 418 N CA -0.066 52.812 53.050 -0.287 0.000 0.954 418 N CB 0.606 38.765 38.487 -0.547 0.000 1.085 418 N HN 0.909 nan 8.380 nan 0.000 0.485 419 H N 2.055 121.136 119.070 0.018 0.000 2.546 419 H HA 0.126 4.681 4.556 -0.001 0.000 0.277 419 H C 1.171 176.543 175.328 0.074 0.000 1.004 419 H CA 1.320 57.424 56.048 0.093 0.000 1.231 419 H CB 0.589 30.465 29.762 0.190 0.000 1.382 419 H HN 0.504 nan 8.280 nan 0.000 0.580 420 S N -0.264 115.452 115.700 0.026 0.000 2.406 420 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 420 S C 1.163 175.732 174.600 -0.051 0.000 1.020 420 S CA 1.257 59.459 58.200 0.003 0.000 0.965 420 S CB 0.099 63.336 63.200 0.062 0.000 0.798 420 S HN 0.819 nan 8.310 nan 0.000 0.488 421 D N -1.583 118.778 120.400 -0.064 0.000 2.525 421 D HA 0.225 4.865 4.640 -0.001 0.000 0.231 421 D C 1.108 177.369 176.300 -0.065 0.000 1.216 421 D CA 0.718 54.684 54.000 -0.056 0.000 0.813 421 D CB -0.342 40.443 40.800 -0.025 0.000 1.108 421 D HN 0.314 nan 8.370 nan 0.000 0.524 422 G N 0.628 109.378 108.800 -0.083 0.000 2.184 422 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.264 422 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.264 422 G C 0.452 175.338 174.900 -0.024 0.000 0.975 422 G CA 0.506 45.580 45.100 -0.044 0.000 0.642 422 G HN 0.435 nan 8.290 nan 0.000 0.536 423 T N 1.105 115.630 114.554 -0.049 0.000 2.822 423 T HA 0.295 4.645 4.350 -0.001 0.000 0.288 423 T C 0.883 175.554 174.700 -0.049 0.000 0.991 423 T CA 0.227 62.300 62.100 -0.044 0.000 1.176 423 T CB 1.684 70.506 68.868 -0.077 0.000 0.951 423 T HN 0.454 nan 8.240 nan 0.000 0.526 424 V N 6.537 126.454 119.914 0.004 0.000 2.403 424 V HA 0.045 4.164 4.120 -0.001 0.000 0.265 424 V C 1.421 177.494 176.094 -0.035 0.000 1.034 424 V CA 0.235 62.527 62.300 -0.014 0.000 1.036 424 V CB 0.030 31.880 31.823 0.044 0.000 1.032 424 V HN 0.821 nan 8.190 nan 0.000 0.478 425 L N 4.542 125.723 121.223 -0.069 0.000 2.341 425 L HA 0.368 4.708 4.340 -0.001 0.000 0.214 425 L C 1.089 177.941 176.870 -0.030 0.000 1.115 425 L CA 0.839 55.651 54.840 -0.047 0.000 0.820 425 L CB -0.127 41.894 42.059 -0.064 0.000 0.944 425 L HN 0.770 nan 8.230 nan 0.000 0.452 426 G N -0.897 107.844 108.800 -0.099 0.000 2.616 426 G HA2 0.489 4.449 3.960 -0.001 0.000 0.294 426 G HA3 0.489 4.449 3.960 -0.001 0.000 0.294 426 G C -1.943 172.675 174.900 -0.470 0.000 1.489 426 G CA -0.407 44.544 45.100 -0.249 0.000 0.836 426 G HN -0.303 nan 8.290 nan 0.000 0.527 427 V N 2.488 122.026 119.914 -0.626 0.000 2.577 427 V HA 0.614 4.734 4.120 -0.001 0.000 0.303 427 V C -1.136 174.640 176.094 -0.530 0.000 1.042 427 V CA -0.918 61.093 62.300 -0.480 0.000 0.872 427 V CB 1.806 33.471 31.823 -0.264 0.000 0.998 427 V HN 0.815 nan 8.190 nan 0.000 0.423 428 H N 5.534 124.596 119.070 -0.013 0.000 2.744 428 H HA 0.671 5.227 4.556 -0.001 0.000 0.339 428 H C -1.094 174.216 175.328 -0.029 0.000 1.004 428 H CA -0.477 55.571 56.048 0.000 0.000 1.257 428 H CB 2.244 32.017 29.762 0.019 0.000 1.552 428 H HN 0.438 nan 8.280 nan 0.000 0.522 429 L N 3.417 124.661 121.223 0.035 0.000 2.401 429 L HA 0.451 4.791 4.340 -0.001 0.000 0.266 429 L C -0.957 175.748 176.870 -0.274 0.000 0.991 429 L CA -1.023 53.746 54.840 -0.118 0.000 0.818 429 L CB 2.734 44.775 42.059 -0.029 0.000 1.321 429 L HN 0.238 nan 8.230 nan 0.000 0.413 430 L N 1.823 122.700 121.223 -0.576 0.000 2.431 430 L HA 1.007 5.347 4.340 -0.001 0.000 0.266 430 L C -0.224 176.058 176.870 -0.980 0.000 0.978 430 L CA 0.293 54.788 54.840 -0.575 0.000 0.822 430 L CB 1.955 43.787 42.059 -0.379 0.000 1.310 430 L HN 0.739 nan 8.230 nan 0.000 0.409 431 G N 2.607 111.103 108.800 -0.506 0.000 2.381 431 G HA2 0.007 3.967 3.960 -0.001 0.000 0.672 431 G HA3 0.007 3.967 3.960 -0.001 0.000 0.672 431 G C -1.640 173.350 174.900 0.150 0.000 1.324 431 G CA -0.681 44.319 45.100 -0.166 0.000 0.975 431 G HN 0.720 nan 8.290 nan 0.000 0.593 432 D N 0.280 120.843 120.400 0.273 0.000 2.472 432 D HA 0.386 5.026 4.640 -0.001 0.000 0.237 432 D C 1.563 178.009 176.300 0.243 0.000 1.141 432 D CA 2.018 56.144 54.000 0.209 0.000 0.875 432 D CB 0.781 41.693 40.800 0.186 0.000 1.192 432 D HN 2.012 nan 8.370 nan 0.000 0.450 433 G N 1.421 110.314 108.800 0.155 0.000 2.189 433 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.267 433 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.267 433 G C 1.199 176.186 174.900 0.144 0.000 0.975 433 G CA 0.928 46.110 45.100 0.137 0.000 0.644 433 G HN 0.711 nan 8.290 nan 0.000 0.537 434 A N 1.020 123.925 122.820 0.142 0.000 1.883 434 A HA 0.144 4.464 4.320 -0.001 0.000 0.217 434 A C 0.671 178.264 177.584 0.015 0.000 1.186 434 A CA 2.489 54.583 52.037 0.096 0.000 0.624 434 A CB -1.060 17.915 19.000 -0.041 0.000 0.822 434 A HN 0.472 nan 8.150 nan 0.000 0.444 435 P HA -0.121 nan 4.420 nan 0.000 0.218 435 P C 1.119 178.431 177.300 0.021 0.000 1.149 435 P CA 1.096 64.141 63.100 -0.092 0.000 0.817 435 P CB -0.018 31.533 31.700 -0.248 0.000 0.785 436 E N -0.676 119.561 120.200 0.061 0.000 2.158 436 E HA -0.047 4.302 4.350 -0.001 0.000 0.191 436 E C 2.080 178.717 176.600 0.062 0.000 0.982 436 E CA 0.774 57.215 56.400 0.068 0.000 0.823 436 E CB -0.610 29.133 29.700 0.072 0.000 0.766 436 E HN 0.335 nan 8.360 nan 0.000 0.468 437 I N 0.742 121.359 120.570 0.078 0.000 2.315 437 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 437 I C 2.276 178.439 176.117 0.077 0.000 1.117 437 I CA 0.528 61.881 61.300 0.089 0.000 1.404 437 I CB -0.054 38.029 38.000 0.138 0.000 1.071 437 I HN 0.017 nan 8.210 nan 0.000 0.419 438 I N 0.563 121.168 120.570 0.059 0.000 2.614 438 I HA -0.251 3.918 4.170 -0.001 0.000 0.258 438 I C 2.367 178.509 176.117 0.041 0.000 1.189 438 I CA 1.265 62.592 61.300 0.045 0.000 1.462 438 I CB -0.433 37.580 38.000 0.021 0.000 1.092 438 I HN 0.227 nan 8.210 nan 0.000 0.442 439 Q N 1.019 120.843 119.800 0.039 0.000 2.061 439 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 439 Q C 2.167 178.184 176.000 0.029 0.000 0.984 439 Q CA 2.559 58.381 55.803 0.031 0.000 0.846 439 Q CB -0.460 28.296 28.738 0.031 0.000 0.902 439 Q HN 0.512 nan 8.270 nan 0.000 0.421 440 A N -0.936 121.904 122.820 0.035 0.000 2.021 440 A HA 0.039 4.359 4.320 -0.001 0.000 0.216 440 A C 2.217 179.825 177.584 0.040 0.000 1.163 440 A CA 0.886 52.938 52.037 0.025 0.000 0.676 440 A CB -0.388 18.623 19.000 0.018 0.000 0.818 440 A HN 0.253 nan 8.150 nan 0.000 0.453 441 V N 0.187 120.147 119.914 0.077 0.000 2.392 441 V HA -0.238 3.882 4.120 -0.001 0.000 0.249 441 V C 2.789 178.937 176.094 0.090 0.000 1.059 441 V CA 1.990 64.372 62.300 0.135 0.000 1.051 441 V CB -1.292 30.613 31.823 0.137 0.000 0.658 441 V HN 0.603 nan 8.190 nan 0.000 0.455 442 G N -0.218 108.611 108.800 0.047 0.000 2.440 442 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 442 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 442 G C 1.627 176.537 174.900 0.017 0.000 1.154 442 G CA 1.336 46.452 45.100 0.026 0.000 0.767 442 G HN 0.428 nan 8.290 nan 0.000 0.552 443 V N 0.525 120.444 119.914 0.010 0.000 2.358 443 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 443 V C 3.057 179.143 176.094 -0.012 0.000 1.047 443 V CA 1.634 63.930 62.300 -0.006 0.000 1.035 443 V CB -0.910 30.904 31.823 -0.015 0.000 0.658 443 V HN 0.504 nan 8.190 nan 0.000 0.452 444 C N -0.058 119.235 119.300 -0.013 0.000 2.367 444 C HA -0.201 4.259 4.460 -0.001 0.000 0.276 444 C C 2.617 177.616 174.990 0.014 0.000 1.195 444 C CA 1.058 60.056 59.018 -0.034 0.000 1.756 444 C CB -1.233 26.480 27.740 -0.045 0.000 2.046 444 C HN 0.479 nan 8.230 nan 0.000 0.453 445 L N 0.458 121.714 121.223 0.056 0.000 2.141 445 L HA -0.039 4.300 4.340 -0.001 0.000 0.209 445 L C 2.626 179.511 176.870 0.024 0.000 1.094 445 L CA 1.493 56.364 54.840 0.052 0.000 0.763 445 L CB -0.948 41.139 42.059 0.046 0.000 0.908 445 L HN 0.298 nan 8.230 nan 0.000 0.437 446 R N -0.493 120.015 120.500 0.012 0.000 2.189 446 R HA -0.050 4.289 4.340 -0.001 0.000 0.223 446 R C 1.501 177.800 176.300 -0.001 0.000 1.092 446 R CA 0.794 56.896 56.100 0.003 0.000 0.989 446 R CB -0.040 30.258 30.300 -0.004 0.000 0.876 446 R HN 0.323 nan 8.270 nan 0.000 0.457 447 L N 1.424 122.642 121.223 -0.008 0.000 2.653 447 L HA 0.099 4.439 4.340 -0.001 0.000 0.231 447 L C -0.435 176.427 176.870 -0.013 0.000 1.153 447 L CA -0.133 54.697 54.840 -0.017 0.000 0.933 447 L CB 0.006 42.043 42.059 -0.036 0.000 1.175 447 L HN 0.236 nan 8.230 nan 0.000 0.473 448 N N 0.446 119.147 118.700 0.002 0.000 2.727 448 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 448 N C 0.335 175.848 175.510 0.005 0.000 1.040 448 N CA 0.805 53.860 53.050 0.008 0.000 0.712 448 N CB -1.155 37.335 38.487 0.006 0.000 0.912 448 N HN 0.367 nan 8.380 nan 0.000 0.545 449 A N 0.342 123.171 122.820 0.016 0.000 2.507 449 A HA 0.274 4.593 4.320 -0.001 0.000 0.235 449 A C 0.791 178.417 177.584 0.069 0.000 1.070 449 A CA 0.511 52.557 52.037 0.016 0.000 0.768 449 A CB 0.647 19.680 19.000 0.056 0.000 1.011 449 A HN 0.347 nan 8.150 nan 0.000 0.502 450 K N 0.440 120.878 120.400 0.063 0.000 2.281 450 K HA 0.390 4.710 4.320 -0.001 0.000 0.242 450 K C 0.834 177.541 176.600 0.179 0.000 0.971 450 K CA -0.890 55.447 56.287 0.084 0.000 0.834 450 K CB 1.630 34.146 32.500 0.026 0.000 1.181 450 K HN 0.512 nan 8.250 nan 0.000 0.435 451 I N 1.803 122.425 120.570 0.087 0.000 2.248 451 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 451 I C 2.067 178.236 176.117 0.088 0.000 1.107 451 I CA 1.999 63.301 61.300 0.003 0.000 1.373 451 I CB -0.269 37.549 38.000 -0.303 0.000 1.055 451 I HN 0.774 nan 8.210 nan 0.000 0.418 452 S N -0.346 115.393 115.700 0.066 0.000 2.368 452 S HA -0.208 4.262 4.470 -0.001 0.000 0.225 452 S C 1.821 176.463 174.600 0.070 0.000 1.030 452 S CA 1.369 59.621 58.200 0.087 0.000 0.999 452 S CB -0.829 62.405 63.200 0.057 0.000 0.844 452 S HN 0.505 nan 8.310 nan 0.000 0.459 453 D N 0.718 121.129 120.400 0.019 0.000 2.218 453 D HA -0.001 4.639 4.640 -0.001 0.000 0.204 453 D C 1.403 177.602 176.300 -0.167 0.000 0.976 453 D CA 0.848 54.793 54.000 -0.091 0.000 0.853 453 D CB -0.349 40.356 40.800 -0.158 0.000 0.939 453 D HN 0.424 nan 8.370 nan 0.000 0.481 454 F N 0.246 120.175 119.950 -0.035 0.000 2.022 454 F HA -0.169 4.357 4.527 -0.001 0.000 0.293 454 F C 2.390 178.190 175.800 -0.001 0.000 1.142 454 F CA 0.851 58.831 58.000 -0.033 0.000 1.177 454 F CB -1.011 37.950 39.000 -0.065 0.000 0.982 454 F HN -0.081 nan 8.300 nan 0.000 0.473 455 Y N 1.407 121.766 120.300 0.099 0.000 2.256 455 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 455 Y C 2.040 177.943 175.900 0.004 0.000 1.155 455 Y CA 1.593 59.708 58.100 0.026 0.000 1.203 455 Y CB -0.813 37.641 38.460 -0.010 0.000 0.980 455 Y HN 0.036 nan 8.280 nan 0.000 0.530 456 N N -0.569 118.084 118.700 -0.078 0.000 2.459 456 N HA -0.056 4.683 4.740 -0.001 0.000 0.181 456 N C 0.279 175.691 175.510 -0.165 0.000 1.046 456 N CA 1.004 53.957 53.050 -0.162 0.000 0.904 456 N CB -0.434 38.017 38.487 -0.061 0.000 0.964 456 N HN 0.184 nan 8.380 nan 0.000 0.444 457 T N 1.831 116.309 114.554 -0.128 0.000 2.919 457 T HA 0.239 4.588 4.350 -0.001 0.000 0.302 457 T C 0.850 175.477 174.700 -0.122 0.000 1.031 457 T CA -0.269 61.761 62.100 -0.116 0.000 1.127 457 T CB 1.027 69.831 68.868 -0.108 0.000 0.952 457 T HN -0.037 nan 8.240 nan 0.000 0.540 458 I N 2.331 122.839 120.570 -0.104 0.000 2.474 458 I HA 0.295 4.465 4.170 -0.001 0.000 0.287 458 I C 1.372 177.452 176.117 -0.061 0.000 1.048 458 I CA -0.544 60.698 61.300 -0.097 0.000 1.383 458 I CB 0.620 38.570 38.000 -0.085 0.000 1.412 458 I HN 0.647 nan 8.210 nan 0.000 0.531 459 G N 5.069 113.838 108.800 -0.051 0.000 2.569 459 G HA2 0.417 4.377 3.960 -0.001 0.000 0.249 459 G HA3 0.417 4.377 3.960 -0.001 0.000 0.249 459 G C -0.312 174.592 174.900 0.007 0.000 1.216 459 G CA -0.386 44.707 45.100 -0.011 0.000 0.845 459 G HN 0.420 nan 8.290 nan 0.000 0.568 460 V N 0.981 120.907 119.914 0.021 0.000 2.407 460 V HA 0.358 4.477 4.120 -0.001 0.000 0.278 460 V C -0.273 175.862 176.094 0.068 0.000 1.037 460 V CA -0.705 61.613 62.300 0.030 0.000 0.900 460 V CB 1.062 32.888 31.823 0.005 0.000 0.983 460 V HN 0.823 nan 8.190 nan 0.000 0.459 461 H N 5.282 124.327 119.070 -0.042 0.000 2.529 461 H HA 0.748 5.304 4.556 -0.001 0.000 0.348 461 H C -2.540 172.766 175.328 -0.037 0.000 1.079 461 H CA -1.518 54.503 56.048 -0.046 0.000 1.198 461 H CB 2.127 31.862 29.762 -0.045 0.000 1.521 461 H HN 0.616 nan 8.280 nan 0.000 0.514 462 P HA 0.399 nan 4.420 nan 0.000 0.301 462 P C -1.391 175.750 177.300 -0.265 0.000 1.337 462 P CA -0.652 62.081 63.100 -0.611 0.000 0.889 462 P CB 1.912 33.203 31.700 -0.683 0.000 1.050 463 T N -2.447 111.983 114.554 -0.207 0.000 2.802 463 T HA 0.343 4.692 4.350 -0.001 0.000 0.311 463 T C 0.689 175.286 174.700 -0.171 0.000 1.405 463 T CA -0.525 61.489 62.100 -0.143 0.000 1.016 463 T CB 0.824 69.638 68.868 -0.089 0.000 1.352 463 T HN 0.049 nan 8.240 nan 0.000 0.498 464 S N 0.542 116.104 115.700 -0.230 0.000 2.377 464 S HA 0.111 4.581 4.470 -0.001 0.000 0.223 464 S C 2.607 177.046 174.600 -0.268 0.000 1.030 464 S CA 0.817 58.772 58.200 -0.409 0.000 0.970 464 S CB -0.935 61.606 63.200 -1.098 0.000 0.830 464 S HN 1.034 nan 8.310 nan 0.000 0.473 465 A N 2.657 125.392 122.820 -0.141 0.000 1.985 465 A HA -0.329 3.991 4.320 -0.001 0.000 0.223 465 A C 2.069 179.660 177.584 0.010 0.000 1.189 465 A CA 2.188 54.220 52.037 -0.008 0.000 0.658 465 A CB -0.968 18.040 19.000 0.014 0.000 0.820 465 A HN 0.812 nan 8.150 nan 0.000 0.464 466 E N -0.789 119.397 120.200 -0.024 0.000 2.160 466 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 466 E C 1.629 178.231 176.600 0.004 0.000 0.991 466 E CA 1.324 57.725 56.400 0.001 0.000 0.810 466 E CB -0.362 29.345 29.700 0.011 0.000 0.742 466 E HN 0.526 nan 8.360 nan 0.000 0.466 467 E N 1.003 121.183 120.200 -0.034 0.000 2.233 467 E HA -0.146 4.204 4.350 -0.001 0.000 0.199 467 E C 1.846 178.481 176.600 0.058 0.000 1.004 467 E CA 0.934 57.331 56.400 -0.005 0.000 0.819 467 E CB -0.215 29.507 29.700 0.037 0.000 0.738 467 E HN 0.425 nan 8.360 nan 0.000 0.478 468 L N -1.279 119.987 121.223 0.072 0.000 2.376 468 L HA -0.083 4.256 4.340 -0.001 0.000 0.219 468 L C 1.029 177.960 176.870 0.102 0.000 1.133 468 L CA 0.394 55.267 54.840 0.055 0.000 0.816 468 L CB 0.162 42.279 42.059 0.097 0.000 0.933 468 L HN 0.203 nan 8.230 nan 0.000 0.449 469 C N -1.411 117.972 119.300 0.138 0.000 2.849 469 C HA 0.280 4.739 4.460 -0.001 0.000 0.271 469 C C 1.423 176.527 174.990 0.190 0.000 1.519 469 C CA -0.284 58.836 59.018 0.170 0.000 1.783 469 C CB -0.510 27.287 27.740 0.094 0.000 2.869 469 C HN 0.336 nan 8.230 nan 0.000 0.527 470 S N -0.315 115.529 115.700 0.239 0.000 2.904 470 S HA 0.281 4.751 4.470 -0.001 0.000 0.260 470 S C -0.009 174.707 174.600 0.193 0.000 1.000 470 S CA -0.202 58.182 58.200 0.306 0.000 1.274 470 S CB 0.049 63.324 63.200 0.125 0.000 1.196 470 S HN 0.497 nan 8.310 nan 0.000 0.678 471 M N 1.877 121.537 119.600 0.100 0.000 2.113 471 M HA 0.434 4.914 4.480 -0.001 0.000 0.352 471 M C 1.112 177.296 176.300 -0.192 0.000 1.170 471 M CA -0.165 55.130 55.300 -0.008 0.000 1.053 471 M CB 1.324 33.932 32.600 0.013 0.000 1.601 471 M HN 0.086 nan 8.290 nan 0.000 0.459 472 R N 0.993 121.344 120.500 -0.249 0.000 2.243 472 R HA 0.212 4.551 4.340 -0.001 0.000 0.193 472 R C -0.151 176.170 176.300 0.034 0.000 0.933 472 R CA 0.629 56.487 56.100 -0.403 0.000 1.105 472 R CB 0.786 30.617 30.300 -0.781 0.000 1.169 472 R HN 0.579 nan 8.270 nan 0.000 0.599 473 T N 3.683 118.270 114.554 0.054 0.000 2.845 473 T HA 0.336 4.685 4.350 -0.001 0.000 0.288 473 T C -2.601 172.024 174.700 -0.124 0.000 0.980 473 T CA -1.308 60.812 62.100 0.033 0.000 1.071 473 T CB 1.742 70.597 68.868 -0.021 0.000 0.941 473 T HN 0.054 nan 8.240 nan 0.000 0.487 474 P HA 0.089 nan 4.420 nan 0.000 0.264 474 P C 0.678 177.601 177.300 -0.628 0.000 1.193 474 P CA 0.077 62.578 63.100 -0.997 0.000 0.763 474 P CB 0.572 31.581 31.700 -1.153 0.000 0.810 475 S N 3.111 118.434 115.700 -0.629 0.000 2.406 475 S HA -0.027 4.443 4.470 -0.001 0.000 0.228 475 S C 0.299 174.729 174.600 -0.283 0.000 1.020 475 S CA 0.898 58.877 58.200 -0.368 0.000 0.965 475 S CB -0.481 62.523 63.200 -0.326 0.000 0.798 475 S HN 0.572 nan 8.310 nan 0.000 0.488 476 Y N -3.235 116.772 120.300 -0.489 0.000 2.925 476 Y HA 0.636 5.185 4.550 -0.001 0.000 0.349 476 Y C -1.540 173.981 175.900 -0.632 0.000 1.342 476 Y CA -1.936 55.901 58.100 -0.438 0.000 1.093 476 Y CB 0.448 38.764 38.460 -0.240 0.000 1.571 476 Y HN -0.061 nan 8.280 nan 0.000 0.438 477 Y N -0.878 119.460 120.300 0.063 0.000 2.644 477 Y HA 0.680 5.230 4.550 -0.001 0.000 0.338 477 Y C -1.583 174.243 175.900 -0.123 0.000 1.119 477 Y CA -1.479 56.597 58.100 -0.040 0.000 1.060 477 Y CB 2.244 40.640 38.460 -0.107 0.000 1.294 477 Y HN 0.572 nan 8.280 nan 0.000 0.472 478 Y N 0.402 120.854 120.300 0.254 0.000 2.373 478 Y HA 0.651 5.200 4.550 -0.001 0.000 0.336 478 Y C -0.941 175.042 175.900 0.139 0.000 0.979 478 Y CA -1.075 57.128 58.100 0.171 0.000 1.080 478 Y CB 1.917 40.470 38.460 0.154 0.000 1.190 478 Y HN 0.202 nan 8.280 nan 0.000 0.446 479 V N 3.792 123.832 119.914 0.209 0.000 2.540 479 V HA 0.293 4.413 4.120 -0.001 0.000 0.302 479 V C 0.162 176.328 176.094 0.121 0.000 1.035 479 V CA -1.782 60.597 62.300 0.131 0.000 0.873 479 V CB 1.760 33.611 31.823 0.047 0.000 0.992 479 V HN 0.611 nan 8.190 nan 0.000 0.428 480 K N 3.188 123.653 120.400 0.108 0.000 4.314 480 K HA -0.267 4.052 4.320 -0.001 0.000 0.270 480 K C 1.241 177.903 176.600 0.103 0.000 0.728 480 K CA 1.174 57.518 56.287 0.094 0.000 0.585 480 K CB -1.201 31.337 32.500 0.063 0.000 2.031 480 K HN 1.547 nan 8.250 nan 0.000 0.404 481 G N 0.183 109.072 108.800 0.148 0.000 2.308 481 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.221 481 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.221 481 G C -0.166 174.887 174.900 0.255 0.000 1.032 481 G CA 0.317 45.511 45.100 0.158 0.000 0.623 481 G HN 0.613 nan 8.290 nan 0.000 0.506 482 E N 1.021 121.344 120.200 0.206 0.000 2.231 482 E HA 0.666 5.016 4.350 -0.001 0.000 0.277 482 E C -0.087 176.546 176.600 0.056 0.000 0.999 482 E CA -0.962 55.531 56.400 0.155 0.000 0.827 482 E CB 1.727 31.465 29.700 0.064 0.000 1.101 482 E HN 0.250 nan 8.360 nan 0.000 0.393 483 K N 4.179 124.509 120.400 -0.115 0.000 2.322 483 K HA 0.220 4.540 4.320 -0.001 0.000 0.283 483 K C -0.557 175.892 176.600 -0.252 0.000 1.042 483 K CA -0.146 55.852 56.287 -0.482 0.000 0.958 483 K CB 0.427 32.605 32.500 -0.537 0.000 0.984 483 K HN 0.746 nan 8.250 nan 0.000 0.473 484 M N 1.936 121.417 119.600 -0.199 0.000 2.465 484 M HA 0.193 4.673 4.480 -0.001 0.000 0.284 484 M C 0.371 176.677 176.300 0.010 0.000 1.212 484 M CA -0.728 54.523 55.300 -0.081 0.000 0.910 484 M CB 1.824 34.400 32.600 -0.040 0.000 1.725 484 M HN 0.635 nan 8.290 nan 0.000 0.477 485 E N 1.884 122.091 120.200 0.011 0.000 2.268 485 E HA 0.052 4.401 4.350 -0.001 0.000 0.195 485 E C -0.387 176.317 176.600 0.173 0.000 0.995 485 E CA 0.864 57.309 56.400 0.075 0.000 0.836 485 E CB 0.334 30.049 29.700 0.025 0.000 0.763 485 E HN 0.714 nan 8.360 nan 0.000 0.491 486 K N -0.012 120.462 120.400 0.123 0.000 2.522 486 K HA 0.413 4.732 4.320 -0.001 0.000 0.275 486 K C -0.723 175.764 176.600 -0.189 0.000 1.006 486 K CA -0.880 55.434 56.287 0.045 0.000 0.890 486 K CB 1.532 34.038 32.500 0.011 0.000 1.475 486 K HN -0.095 nan 8.250 nan 0.000 0.441 487 L N 0.000 120.986 121.223 -0.394 0.000 2.949 487 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 487 L CA 0.000 54.608 54.840 -0.386 0.000 0.813 487 L CB 0.000 41.754 42.059 -0.509 0.000 0.961 487 L HN 0.000 nan 8.230 nan 0.000 0.502