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 1pkx_1_C DATA FIRST_RESID 4 DATA SEQUENCE GQLALFSVSD KTGLVEFARN LTALGLNLVA SGGTAKALRD AGLAVRDVSE DATA SEQUENCE LTGFPEMLGG RVKTLHPAVH AGILARNIPE DNADMARLDF NLIRVVACNL DATA SEQUENCE YPFVKTVASP GVTVEEAVEQ IDIGGVTLLR AAAKNHARVT VVCEPEDYVV DATA SEQUENCE VSTEMQSSES KDTSLETRRQ LALKAFTHTA QYDEAISDYF RKQYSKGVSQ DATA SEQUENCE MPLRYGMNPH QTPAQLYTLQ PKLPITVLNG APGFINLCDA LNAWQLVKEL DATA SEQUENCE KEALGIPAAA SFKHVSPAGA AVGIPLSEDE AKVCMVYDLY KTLTPISAAY DATA SEQUENCE ARARGADRMS SFGDFVALSD VCDVPTAKII SREVSDGIIA PGYEEEALTI DATA SEQUENCE LSKKKNGNYC VLQMDQSYKP DENEVRTLFG LHLSQKRNNG VVDKSLFSNV DATA SEQUENCE VTKNKDLPES ALRDLIVATI AVKYTQSNSV CYAKNGQVIG IGAGQQSRIH DATA SEQUENCE CTRLAGDKAN YWWLRHHPQV LSMKFKTXXK RAEISNAIDQ YVTGTIGEDE DATA SEQUENCE DLIKWKALFE EVPELLTEAE KKEWVEKLTE VSISSDAFFP FRDNVDRAKR DATA SEQUENCE SGVAYIAAPS GSAADKVVIE ACDELGIILA HTNLRLFHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 4 G C 0.000 174.897 174.900 -0.004 0.000 0.946 4 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 5 Q N 0.358 120.151 119.800 -0.011 0.000 2.318 5 Q HA 0.597 4.938 4.340 0.001 0.000 0.222 5 Q C 0.191 176.177 176.000 -0.023 0.000 1.003 5 Q CA -0.424 55.370 55.803 -0.015 0.000 0.936 5 Q CB 1.631 30.357 28.738 -0.020 0.000 1.204 5 Q HN 0.523 nan 8.270 nan 0.000 0.524 6 L N 0.358 121.563 121.223 -0.030 0.000 2.360 6 L HA 0.693 5.034 4.340 0.001 0.000 0.271 6 L C -0.431 176.395 176.870 -0.073 0.000 1.057 6 L CA -0.970 53.846 54.840 -0.039 0.000 0.803 6 L CB 1.243 43.280 42.059 -0.037 0.000 1.207 6 L HN 0.575 nan 8.230 nan 0.000 0.445 7 A N 3.393 126.169 122.820 -0.074 0.000 2.323 7 A HA 0.516 4.837 4.320 0.001 0.000 0.305 7 A C -0.893 176.568 177.584 -0.204 0.000 1.275 7 A CA -0.415 51.511 52.037 -0.185 0.000 0.804 7 A CB 1.024 19.934 19.000 -0.150 0.000 1.152 7 A HN 0.522 nan 8.150 nan 0.000 0.487 8 L N 3.314 124.359 121.223 -0.296 0.000 2.292 8 L HA 0.703 5.044 4.340 0.001 0.000 0.284 8 L C -1.718 174.934 176.870 -0.363 0.000 1.065 8 L CA -0.129 54.591 54.840 -0.199 0.000 0.806 8 L CB 0.374 42.340 42.059 -0.155 0.000 1.175 8 L HN 0.579 nan 8.230 nan 0.000 0.431 9 F N 3.254 123.180 119.950 -0.039 0.000 2.493 9 F HA 0.405 4.933 4.527 0.001 0.000 0.329 9 F C 0.364 176.157 175.800 -0.011 0.000 1.126 9 F CA -0.486 57.504 58.000 -0.017 0.000 0.937 9 F CB 2.013 41.001 39.000 -0.019 0.000 1.146 9 F HN 0.477 nan 8.300 nan 0.000 0.442 10 S N 3.570 119.359 115.700 0.147 0.000 2.423 10 S HA 0.617 5.088 4.470 0.001 0.000 0.213 10 S C -1.453 173.194 174.600 0.078 0.000 1.131 10 S CA -0.519 57.734 58.200 0.089 0.000 1.155 10 S CB 0.257 63.472 63.200 0.025 0.000 1.202 10 S HN 0.601 nan 8.310 nan 0.000 0.441 11 V N 2.094 122.076 119.914 0.115 0.000 2.789 11 V HA 0.737 4.858 4.120 0.001 0.000 0.311 11 V C 0.691 176.852 176.094 0.112 0.000 1.073 11 V CA -0.584 61.781 62.300 0.109 0.000 0.921 11 V CB 1.566 33.485 31.823 0.160 0.000 1.009 11 V HN 0.476 nan 8.190 nan 0.000 0.426 12 S N 1.088 116.855 115.700 0.112 0.000 2.421 12 S HA 0.055 4.525 4.470 0.001 0.000 0.224 12 S C 0.604 175.267 174.600 0.104 0.000 1.035 12 S CA 1.109 59.391 58.200 0.137 0.000 0.953 12 S CB -0.113 63.199 63.200 0.187 0.000 0.810 12 S HN 1.037 nan 8.310 nan 0.000 0.497 13 D N 1.162 121.617 120.400 0.092 0.000 2.380 13 D HA 0.279 4.919 4.640 0.001 0.000 0.230 13 D C 0.170 176.526 176.300 0.093 0.000 1.154 13 D CA -0.119 53.926 54.000 0.075 0.000 0.859 13 D CB 0.879 41.713 40.800 0.055 0.000 1.045 13 D HN -0.208 nan 8.370 nan 0.000 0.495 14 K N 1.341 121.792 120.400 0.086 0.000 2.505 14 K HA 0.114 4.435 4.320 0.001 0.000 0.192 14 K C 0.178 176.846 176.600 0.113 0.000 1.025 14 K CA 0.059 56.406 56.287 0.100 0.000 1.086 14 K CB 0.039 32.580 32.500 0.068 0.000 0.840 14 K HN 0.366 nan 8.250 nan 0.000 0.514 15 T N 0.978 115.588 114.554 0.094 0.000 2.866 15 T HA 0.124 4.475 4.350 0.001 0.000 0.293 15 T C 1.258 176.054 174.700 0.160 0.000 1.005 15 T CA 1.154 63.304 62.100 0.082 0.000 1.162 15 T CB 0.355 69.238 68.868 0.026 0.000 0.968 15 T HN 0.592 nan 8.240 nan 0.000 0.530 16 G N 2.513 111.405 108.800 0.154 0.000 2.175 16 G HA2 -0.301 3.659 3.960 0.001 0.000 0.265 16 G HA3 -0.301 3.659 3.960 0.001 0.000 0.265 16 G C 0.865 175.956 174.900 0.320 0.000 0.979 16 G CA 0.558 45.803 45.100 0.240 0.000 0.663 16 G HN 0.699 nan 8.290 nan 0.000 0.533 17 L N 0.645 122.010 121.223 0.237 0.000 1.976 17 L HA 0.027 4.367 4.340 0.001 0.000 0.209 17 L C 2.895 179.755 176.870 -0.017 0.000 1.071 17 L CA 2.786 57.692 54.840 0.111 0.000 0.746 17 L CB -0.918 41.182 42.059 0.068 0.000 0.890 17 L HN 0.255 nan 8.230 nan 0.000 0.432 18 V N 0.427 120.329 119.914 -0.020 0.000 2.250 18 V HA -0.364 3.757 4.120 0.001 0.000 0.250 18 V C 3.046 179.118 176.094 -0.037 0.000 1.060 18 V CA 2.616 64.880 62.300 -0.061 0.000 1.030 18 V CB -1.758 30.047 31.823 -0.031 0.000 0.643 18 V HN 0.709 nan 8.190 nan 0.000 0.445 19 E N -0.558 119.664 120.200 0.036 0.000 2.058 19 E HA -0.325 4.026 4.350 0.001 0.000 0.194 19 E C 1.955 178.616 176.600 0.101 0.000 0.997 19 E CA 1.754 58.193 56.400 0.064 0.000 0.801 19 E CB -0.859 28.901 29.700 0.100 0.000 0.746 19 E HN 0.585 nan 8.360 nan 0.000 0.450 20 F N 1.547 121.461 119.950 -0.060 0.000 2.095 20 F HA 0.039 4.567 4.527 0.001 0.000 0.298 20 F C 2.698 178.459 175.800 -0.064 0.000 1.104 20 F CA 1.468 59.411 58.000 -0.096 0.000 1.232 20 F CB -0.773 38.002 39.000 -0.374 0.000 0.987 20 F HN 0.268 nan 8.300 nan 0.000 0.475 21 A N 0.772 123.480 122.820 -0.187 0.000 1.908 21 A HA -0.199 4.122 4.320 0.001 0.000 0.218 21 A C 2.445 179.900 177.584 -0.214 0.000 1.181 21 A CA 1.650 53.476 52.037 -0.351 0.000 0.627 21 A CB -0.720 17.933 19.000 -0.578 0.000 0.818 21 A HN 0.405 nan 8.150 nan 0.000 0.445 22 R N -0.281 120.136 120.500 -0.138 0.000 2.080 22 R HA -0.150 4.191 4.340 0.001 0.000 0.236 22 R C 1.901 178.154 176.300 -0.078 0.000 1.137 22 R CA 1.656 57.703 56.100 -0.088 0.000 0.943 22 R CB -0.592 29.680 30.300 -0.047 0.000 0.846 22 R HN 0.584 nan 8.270 nan 0.000 0.431 23 N N 1.012 119.671 118.700 -0.068 0.000 2.120 23 N HA -0.146 4.595 4.740 0.001 0.000 0.188 23 N C 1.993 177.440 175.510 -0.106 0.000 1.024 23 N CA 1.130 54.148 53.050 -0.054 0.000 0.852 23 N CB -0.405 38.086 38.487 0.006 0.000 1.003 23 N HN 0.218 nan 8.380 nan 0.000 0.424 24 L N 0.653 121.753 121.223 -0.206 0.000 2.141 24 L HA -0.088 4.252 4.340 0.001 0.000 0.209 24 L C 2.079 178.881 176.870 -0.113 0.000 1.094 24 L CA 0.951 55.670 54.840 -0.202 0.000 0.763 24 L CB -0.646 41.220 42.059 -0.322 0.000 0.908 24 L HN 0.173 nan 8.230 nan 0.000 0.437 25 T N -0.045 114.450 114.554 -0.098 0.000 2.737 25 T HA -0.122 4.229 4.350 0.001 0.000 0.265 25 T C 2.020 176.689 174.700 -0.051 0.000 1.038 25 T CA 1.231 63.292 62.100 -0.066 0.000 1.144 25 T CB -0.241 68.586 68.868 -0.068 0.000 0.866 25 T HN 0.421 nan 8.240 nan 0.000 0.434 26 A N 0.928 123.718 122.820 -0.050 0.000 2.076 26 A HA 0.049 4.369 4.320 0.001 0.000 0.220 26 A C 2.079 179.645 177.584 -0.030 0.000 1.160 26 A CA 1.066 53.083 52.037 -0.034 0.000 0.653 26 A CB -0.788 18.196 19.000 -0.027 0.000 0.801 26 A HN 0.503 nan 8.150 nan 0.000 0.455 27 L N -1.817 119.382 121.223 -0.040 0.000 2.591 27 L HA 0.224 4.565 4.340 0.001 0.000 0.228 27 L C 1.638 178.490 176.870 -0.031 0.000 1.133 27 L CA 0.618 55.438 54.840 -0.033 0.000 0.880 27 L CB 0.115 42.149 42.059 -0.042 0.000 1.033 27 L HN 0.562 nan 8.230 nan 0.000 0.450 28 G N -0.084 108.697 108.800 -0.033 0.000 2.163 28 G HA2 -0.218 3.743 3.960 0.001 0.000 0.213 28 G HA3 -0.218 3.743 3.960 0.001 0.000 0.213 28 G C 0.075 174.958 174.900 -0.029 0.000 0.991 28 G CA -0.454 44.630 45.100 -0.026 0.000 0.653 28 G HN 0.150 nan 8.290 nan 0.000 0.518 29 L N 0.967 122.167 121.223 -0.039 0.000 2.357 29 L HA 0.478 4.819 4.340 0.001 0.000 0.273 29 L C 0.082 176.937 176.870 -0.025 0.000 1.080 29 L CA -1.124 53.694 54.840 -0.037 0.000 0.803 29 L CB 0.883 42.907 42.059 -0.059 0.000 1.174 29 L HN 0.026 nan 8.230 nan 0.000 0.443 30 N N 2.329 121.020 118.700 -0.015 0.000 2.479 30 N HA 0.410 5.151 4.740 0.001 0.000 0.285 30 N C -0.753 174.769 175.510 0.020 0.000 1.075 30 N CA -0.582 52.466 53.050 -0.004 0.000 0.967 30 N CB 1.796 40.282 38.487 -0.003 0.000 1.137 30 N HN 0.203 nan 8.380 nan 0.000 0.472 31 L N 1.570 122.811 121.223 0.030 0.000 2.350 31 L HA 0.482 4.822 4.340 0.001 0.000 0.275 31 L C 0.067 176.979 176.870 0.070 0.000 1.099 31 L CA -0.482 54.410 54.840 0.087 0.000 0.808 31 L CB 1.174 43.246 42.059 0.020 0.000 1.149 31 L HN 0.201 nan 8.230 nan 0.000 0.442 32 V N 1.330 121.321 119.914 0.128 0.000 2.851 32 V HA 0.944 5.064 4.120 0.001 0.000 0.307 32 V C -0.463 175.708 176.094 0.129 0.000 1.129 32 V CA -0.660 61.686 62.300 0.077 0.000 0.932 32 V CB 1.598 33.437 31.823 0.025 0.000 1.024 32 V HN 0.938 nan 8.190 nan 0.000 0.426 33 A N 2.525 125.393 122.820 0.080 0.000 2.606 33 A HA 0.933 5.253 4.320 0.001 0.000 0.293 33 A C -0.215 177.401 177.584 0.053 0.000 1.082 33 A CA -0.247 51.846 52.037 0.093 0.000 0.685 33 A CB 1.851 20.905 19.000 0.089 0.000 1.284 33 A HN 1.151 nan 8.150 nan 0.000 0.408 34 S N 0.101 115.836 115.700 0.059 0.000 2.624 34 S HA 0.490 4.961 4.470 0.001 0.000 0.263 34 S C 1.468 176.097 174.600 0.048 0.000 1.287 34 S CA -0.015 58.215 58.200 0.050 0.000 0.990 34 S CB 0.690 63.926 63.200 0.059 0.000 0.950 34 S HN 1.922 nan 8.310 nan 0.000 0.561 35 G N 1.064 109.892 108.800 0.047 0.000 2.672 35 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 35 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 35 G C 1.433 176.355 174.900 0.037 0.000 1.238 35 G CA 0.970 46.094 45.100 0.039 0.000 0.791 35 G HN 1.027 nan 8.290 nan 0.000 0.606 36 G N -0.342 108.487 108.800 0.049 0.000 2.476 36 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 36 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 36 G C 1.889 176.811 174.900 0.037 0.000 1.164 36 G CA 1.949 47.075 45.100 0.045 0.000 0.768 36 G HN 0.450 nan 8.290 nan 0.000 0.560 37 T N 1.495 116.078 114.554 0.047 0.000 2.821 37 T HA 0.090 4.441 4.350 0.001 0.000 0.267 37 T C 2.809 177.508 174.700 -0.003 0.000 1.046 37 T CA 1.404 63.525 62.100 0.036 0.000 1.139 37 T CB -0.324 68.589 68.868 0.075 0.000 0.871 37 T HN 0.386 nan 8.240 nan 0.000 0.454 38 A N 1.798 124.621 122.820 0.006 0.000 1.902 38 A HA -0.109 4.212 4.320 0.001 0.000 0.217 38 A C 2.234 179.804 177.584 -0.024 0.000 1.181 38 A CA 1.831 53.858 52.037 -0.016 0.000 0.623 38 A CB -0.539 18.462 19.000 0.001 0.000 0.818 38 A HN 0.455 nan 8.150 nan 0.000 0.443 39 K N -0.214 120.181 120.400 -0.009 0.000 2.097 39 K HA -0.109 4.212 4.320 0.001 0.000 0.206 39 K C 2.111 178.699 176.600 -0.020 0.000 1.049 39 K CA 1.243 57.524 56.287 -0.011 0.000 0.933 39 K CB -0.335 32.165 32.500 -0.000 0.000 0.717 39 K HN 0.360 nan 8.250 nan 0.000 0.442 40 A N 1.349 124.157 122.820 -0.020 0.000 1.933 40 A HA -0.125 4.196 4.320 0.001 0.000 0.218 40 A C 2.107 179.660 177.584 -0.052 0.000 1.175 40 A CA 1.254 53.275 52.037 -0.026 0.000 0.628 40 A CB -0.467 18.523 19.000 -0.017 0.000 0.814 40 A HN 0.323 nan 8.150 nan 0.000 0.444 41 L N -1.286 119.889 121.223 -0.080 0.000 2.072 41 L HA -0.117 4.224 4.340 0.001 0.000 0.205 41 L C 2.874 179.694 176.870 -0.082 0.000 1.079 41 L CA 0.847 55.617 54.840 -0.116 0.000 0.752 41 L CB -0.482 41.469 42.059 -0.180 0.000 0.906 41 L HN 0.320 nan 8.230 nan 0.000 0.436 42 R N 0.273 120.736 120.500 -0.061 0.000 2.083 42 R HA -0.172 4.168 4.340 0.001 0.000 0.237 42 R C 1.772 178.050 176.300 -0.036 0.000 1.137 42 R CA 1.626 57.700 56.100 -0.044 0.000 0.951 42 R CB -0.728 29.553 30.300 -0.031 0.000 0.851 42 R HN 0.383 nan 8.270 nan 0.000 0.434 43 D N 0.648 121.029 120.400 -0.031 0.000 2.221 43 D HA -0.113 4.528 4.640 0.001 0.000 0.204 43 D C 1.427 177.711 176.300 -0.027 0.000 0.982 43 D CA 1.272 55.257 54.000 -0.024 0.000 0.857 43 D CB -0.076 40.713 40.800 -0.018 0.000 0.934 43 D HN 0.255 nan 8.370 nan 0.000 0.475 44 A N -0.554 122.244 122.820 -0.037 0.000 2.238 44 A HA 0.420 4.741 4.320 0.001 0.000 0.208 44 A C 1.790 179.350 177.584 -0.039 0.000 1.177 44 A CA 1.021 53.035 52.037 -0.038 0.000 0.804 44 A CB -0.116 18.854 19.000 -0.049 0.000 0.823 44 A HN 0.242 nan 8.150 nan 0.000 0.482 45 G N -1.370 107.407 108.800 -0.039 0.000 2.176 45 G HA2 -0.203 3.758 3.960 0.001 0.000 0.253 45 G HA3 -0.203 3.758 3.960 0.001 0.000 0.253 45 G C 0.113 174.986 174.900 -0.045 0.000 0.979 45 G CA 0.243 45.322 45.100 -0.036 0.000 0.641 45 G HN 0.417 nan 8.290 nan 0.000 0.530 46 L N 0.910 122.096 121.223 -0.061 0.000 2.395 46 L HA 0.660 5.001 4.340 0.001 0.000 0.269 46 L C 1.115 177.945 176.870 -0.066 0.000 1.133 46 L CA -0.295 54.501 54.840 -0.074 0.000 0.812 46 L CB 1.319 43.310 42.059 -0.113 0.000 1.125 46 L HN 0.301 nan 8.230 nan 0.000 0.452 47 A N 3.180 125.965 122.820 -0.058 0.000 2.366 47 A HA 0.627 4.948 4.320 0.001 0.000 0.272 47 A C -0.494 177.059 177.584 -0.051 0.000 1.135 47 A CA -0.270 51.740 52.037 -0.045 0.000 0.804 47 A CB 0.547 19.526 19.000 -0.035 0.000 1.064 47 A HN 0.437 nan 8.150 nan 0.000 0.499 48 V N 3.618 123.508 119.914 -0.040 0.000 2.817 48 V HA 0.372 4.493 4.120 0.001 0.000 0.303 48 V C -0.123 175.961 176.094 -0.016 0.000 1.151 48 V CA -0.775 61.505 62.300 -0.034 0.000 0.929 48 V CB 1.916 33.708 31.823 -0.052 0.000 1.030 48 V HN 1.034 nan 8.190 nan 0.000 0.427 49 R N 1.496 121.993 120.500 -0.005 0.000 2.532 49 R HA 0.468 4.809 4.340 0.001 0.000 0.272 49 R C -0.863 175.439 176.300 0.003 0.000 1.032 49 R CA -0.811 55.289 56.100 -0.001 0.000 1.089 49 R CB 1.077 31.378 30.300 0.002 0.000 1.098 49 R HN 0.674 nan 8.270 nan 0.000 0.526 50 D N 0.789 121.190 120.400 0.001 0.000 2.264 50 D HA 0.024 4.664 4.640 0.001 0.000 0.249 50 D C 1.259 177.560 176.300 0.000 0.000 1.070 50 D CA -0.148 53.855 54.000 0.005 0.000 0.912 50 D CB 2.060 42.862 40.800 0.004 0.000 1.193 50 D HN 0.137 nan 8.370 nan 0.000 0.427 51 V N 2.140 122.056 119.914 0.002 0.000 2.392 51 V HA -0.263 3.857 4.120 0.001 0.000 0.249 51 V C 2.433 178.514 176.094 -0.022 0.000 1.059 51 V CA 2.270 64.562 62.300 -0.013 0.000 1.051 51 V CB -0.533 31.285 31.823 -0.009 0.000 0.658 51 V HN 0.637 nan 8.190 nan 0.000 0.455 52 S N -0.593 115.105 115.700 -0.004 0.000 2.442 52 S HA -0.254 4.217 4.470 0.001 0.000 0.236 52 S C 1.843 176.433 174.600 -0.017 0.000 1.007 52 S CA 1.660 59.859 58.200 -0.001 0.000 0.965 52 S CB -0.396 62.813 63.200 0.015 0.000 0.773 52 S HN 0.749 nan 8.310 nan 0.000 0.504 53 E N 0.837 121.029 120.200 -0.014 0.000 2.152 53 E HA 0.041 4.392 4.350 0.001 0.000 0.192 53 E C 1.882 178.477 176.600 -0.009 0.000 0.983 53 E CA 0.724 57.117 56.400 -0.010 0.000 0.818 53 E CB -0.113 29.585 29.700 -0.004 0.000 0.758 53 E HN 0.562 nan 8.360 nan 0.000 0.467 54 L N 0.113 121.323 121.223 -0.022 0.000 2.179 54 L HA -0.075 4.266 4.340 0.001 0.000 0.208 54 L C 2.614 179.447 176.870 -0.061 0.000 1.096 54 L CA 1.504 56.330 54.840 -0.023 0.000 0.779 54 L CB -0.090 41.939 42.059 -0.050 0.000 0.922 54 L HN 0.301 nan 8.230 nan 0.000 0.443 55 T N -5.171 109.296 114.554 -0.146 0.000 3.033 55 T HA 0.206 4.557 4.350 0.001 0.000 0.248 55 T C 1.511 176.090 174.700 -0.202 0.000 1.040 55 T CA 0.648 62.504 62.100 -0.407 0.000 1.133 55 T CB 0.668 69.226 68.868 -0.517 0.000 0.895 55 T HN 0.340 nan 8.240 nan 0.000 0.465 56 G N 0.892 109.654 108.800 -0.063 0.000 2.175 56 G HA2 -0.141 3.820 3.960 0.001 0.000 0.244 56 G HA3 -0.141 3.820 3.960 0.001 0.000 0.244 56 G C -0.197 174.589 174.900 -0.190 0.000 0.982 56 G CA -0.187 44.864 45.100 -0.082 0.000 0.641 56 G HN 0.532 nan 8.290 nan 0.000 0.527 57 F N 1.450 121.331 119.950 -0.114 0.000 2.449 57 F HA 0.570 5.098 4.527 0.001 0.000 0.342 57 F C -1.941 173.839 175.800 -0.033 0.000 1.127 57 F CA -2.394 55.577 58.000 -0.049 0.000 0.975 57 F CB 2.070 41.056 39.000 -0.023 0.000 1.146 57 F HN -0.173 nan 8.300 nan 0.000 0.444 58 P HA 0.101 nan 4.420 nan 0.000 0.272 58 P C -0.629 176.737 177.300 0.110 0.000 1.223 58 P CA -0.423 62.723 63.100 0.077 0.000 0.784 58 P CB 0.573 32.299 31.700 0.042 0.000 0.923 59 E N 1.782 122.031 120.200 0.081 0.000 2.413 59 E HA 0.179 4.530 4.350 0.001 0.000 0.263 59 E C 0.183 176.834 176.600 0.086 0.000 1.015 59 E CA 0.413 56.864 56.400 0.084 0.000 0.916 59 E CB 0.206 29.949 29.700 0.071 0.000 0.947 59 E HN 0.434 nan 8.360 nan 0.000 0.440 60 M N -0.126 119.530 119.600 0.092 0.000 2.779 60 M HA 0.403 4.884 4.480 0.001 0.000 0.277 60 M C -0.667 175.680 176.300 0.078 0.000 1.284 60 M CA -0.896 54.455 55.300 0.086 0.000 0.801 60 M CB 1.330 33.993 32.600 0.105 0.000 1.712 60 M HN 0.453 nan 8.290 nan 0.000 0.453 61 L N 0.587 121.852 121.223 0.070 0.000 3.660 61 L HA -0.200 4.141 4.340 0.001 0.000 0.440 61 L C 0.752 177.661 176.870 0.065 0.000 1.262 61 L CA 0.872 55.751 54.840 0.065 0.000 0.837 61 L CB -2.565 39.535 42.059 0.068 0.000 1.689 61 L HN 1.320 nan 8.230 nan 0.000 0.890 62 G N -0.590 108.244 108.800 0.058 0.000 2.323 62 G HA2 0.056 4.017 3.960 0.001 0.000 0.292 62 G HA3 0.056 4.017 3.960 0.001 0.000 0.292 62 G C 1.159 176.099 174.900 0.067 0.000 1.040 62 G CA 0.751 45.882 45.100 0.051 0.000 0.942 62 G HN 1.958 nan 8.290 nan 0.000 0.506 63 G N -1.328 107.524 108.800 0.087 0.000 2.162 63 G HA2 -0.350 3.611 3.960 0.001 0.000 0.260 63 G HA3 -0.350 3.611 3.960 0.001 0.000 0.260 63 G C 1.220 176.221 174.900 0.169 0.000 0.976 63 G CA 1.255 46.431 45.100 0.127 0.000 0.655 63 G HN 0.908 nan 8.290 nan 0.000 0.533 64 R N -0.935 119.646 120.500 0.135 0.000 2.115 64 R HA 0.217 4.558 4.340 0.001 0.000 0.226 64 R C 0.549 176.915 176.300 0.111 0.000 1.100 64 R CA 1.357 57.542 56.100 0.142 0.000 0.980 64 R CB 0.267 30.634 30.300 0.111 0.000 0.875 64 R HN 0.357 nan 8.270 nan 0.000 0.445 65 V N 1.409 121.378 119.914 0.092 0.000 2.409 65 V HA 0.209 4.330 4.120 0.001 0.000 0.290 65 V C 0.004 176.143 176.094 0.074 0.000 1.017 65 V CA -0.433 61.908 62.300 0.069 0.000 0.841 65 V CB 1.704 33.557 31.823 0.050 0.000 1.003 65 V HN 0.195 nan 8.190 nan 0.000 0.426 66 K N 1.664 122.105 120.400 0.068 0.000 2.603 66 K HA 0.125 4.445 4.320 0.001 0.000 0.205 66 K C 1.047 177.675 176.600 0.046 0.000 1.500 66 K CA 0.744 57.070 56.287 0.065 0.000 1.059 66 K CB 1.210 33.755 32.500 0.074 0.000 1.416 66 K HN 0.683 nan 8.250 nan 0.000 0.562 67 T N -1.046 113.536 114.554 0.046 0.000 3.170 67 T HA 0.353 4.704 4.350 0.001 0.000 0.288 67 T C 0.263 175.026 174.700 0.105 0.000 0.992 67 T CA -0.401 61.721 62.100 0.036 0.000 0.909 67 T CB -0.094 68.776 68.868 0.003 0.000 1.133 67 T HN -0.085 nan 8.240 nan 0.000 0.530 68 L N 3.278 124.565 121.223 0.106 0.000 2.422 68 L HA 0.467 4.808 4.340 0.001 0.000 0.256 68 L C 0.058 176.983 176.870 0.092 0.000 1.202 68 L CA -0.383 54.530 54.840 0.122 0.000 1.119 68 L CB -0.381 41.695 42.059 0.027 0.000 1.383 68 L HN 0.432 nan 8.230 nan 0.000 0.411 69 H N 1.766 120.854 119.070 0.031 0.000 2.996 69 H HA 0.248 4.805 4.556 0.001 0.000 0.368 69 H C -2.447 172.858 175.328 -0.038 0.000 1.185 69 H CA -1.481 54.528 56.048 -0.065 0.000 1.160 69 H CB 3.082 32.772 29.762 -0.120 0.000 1.820 69 H HN -0.035 nan 8.280 nan 0.000 0.547 70 P HA -0.112 nan 4.420 nan 0.000 0.217 70 P C 1.117 178.196 177.300 -0.368 0.000 1.148 70 P CA 2.137 65.089 63.100 -0.246 0.000 0.828 70 P CB 0.056 31.631 31.700 -0.209 0.000 0.783 71 A N -0.890 121.709 122.820 -0.368 0.000 1.972 71 A HA -0.155 4.165 4.320 0.001 0.000 0.219 71 A C 2.278 179.545 177.584 -0.528 0.000 1.169 71 A CA 1.761 53.192 52.037 -1.011 0.000 0.635 71 A CB -1.534 17.154 19.000 -0.519 0.000 0.810 71 A HN 0.061 nan 8.150 nan 0.000 0.446 72 V N -0.845 118.898 119.914 -0.285 0.000 2.273 72 V HA -0.143 3.977 4.120 0.001 0.000 0.242 72 V C 2.341 178.172 176.094 -0.437 0.000 1.035 72 V CA 1.733 63.824 62.300 -0.348 0.000 1.013 72 V CB -0.931 30.669 31.823 -0.373 0.000 0.652 72 V HN 0.649 nan 8.190 nan 0.000 0.452 73 H N 0.019 119.022 119.070 -0.112 0.000 2.462 73 H HA 0.090 4.646 4.556 0.001 0.000 0.292 73 H C 2.269 177.557 175.328 -0.066 0.000 1.049 73 H CA 1.381 57.380 56.048 -0.080 0.000 1.334 73 H CB -0.111 29.612 29.762 -0.066 0.000 1.404 73 H HN 0.455 nan 8.280 nan 0.000 0.544 74 A N 0.726 123.527 122.820 -0.031 0.000 1.929 74 A HA -0.016 4.304 4.320 0.001 0.000 0.216 74 A C 2.789 180.376 177.584 0.004 0.000 1.176 74 A CA 1.219 53.273 52.037 0.028 0.000 0.628 74 A CB -0.904 18.166 19.000 0.118 0.000 0.816 74 A HN 0.424 nan 8.150 nan 0.000 0.444 75 G N -0.221 108.529 108.800 -0.083 0.000 2.448 75 G HA2 -0.128 3.833 3.960 0.001 0.000 0.219 75 G HA3 -0.128 3.833 3.960 0.001 0.000 0.219 75 G C 1.438 176.304 174.900 -0.057 0.000 1.127 75 G CA 1.164 46.227 45.100 -0.063 0.000 0.766 75 G HN 0.487 nan 8.290 nan 0.000 0.552 76 I N -0.401 120.126 120.570 -0.072 0.000 2.628 76 I HA 0.122 4.293 4.170 0.001 0.000 0.255 76 I C 2.353 178.466 176.117 -0.008 0.000 1.119 76 I CA 0.352 61.621 61.300 -0.052 0.000 1.448 76 I CB 0.043 38.001 38.000 -0.070 0.000 1.133 76 I HN 0.067 nan 8.210 nan 0.000 0.438 77 L N 0.816 122.051 121.223 0.019 0.000 2.341 77 L HA 0.157 4.498 4.340 0.001 0.000 0.214 77 L C 1.366 178.251 176.870 0.024 0.000 1.115 77 L CA -0.309 54.550 54.840 0.032 0.000 0.820 77 L CB -0.338 41.753 42.059 0.054 0.000 0.944 77 L HN 0.104 nan 8.230 nan 0.000 0.452 78 A N 1.086 123.923 122.820 0.027 0.000 2.546 78 A HA 0.252 4.573 4.320 0.001 0.000 0.243 78 A C 0.274 177.866 177.584 0.013 0.000 1.063 78 A CA 0.173 52.228 52.037 0.030 0.000 0.757 78 A CB 0.066 19.093 19.000 0.046 0.000 0.991 78 A HN 0.294 nan 8.150 nan 0.000 0.503 79 R N 1.232 121.738 120.500 0.010 0.000 2.797 79 R HA 0.326 4.666 4.340 0.001 0.000 0.251 79 R C 0.043 176.344 176.300 0.002 0.000 1.107 79 R CA -0.914 55.185 56.100 -0.001 0.000 1.084 79 R CB 0.606 30.902 30.300 -0.006 0.000 1.205 79 R HN 0.758 nan 8.270 nan 0.000 0.515 80 N N 2.536 121.234 118.700 -0.003 0.000 2.719 80 N HA 0.176 4.917 4.740 0.001 0.000 0.243 80 N C -1.166 174.344 175.510 0.000 0.000 1.104 80 N CA 0.006 53.056 53.050 0.000 0.000 0.981 80 N CB -0.114 38.372 38.487 -0.002 0.000 1.290 80 N HN 0.461 nan 8.380 nan 0.000 0.513 81 I N -0.455 120.117 120.570 0.003 0.000 2.913 81 I HA 0.497 4.667 4.170 0.001 0.000 0.302 81 I C -1.993 174.126 176.117 0.004 0.000 1.246 81 I CA -2.031 59.270 61.300 0.002 0.000 1.010 81 I CB 2.214 40.215 38.000 0.002 0.000 1.259 81 I HN -0.054 nan 8.210 nan 0.000 0.434 82 P HA -0.322 nan 4.420 nan 0.000 0.212 82 P C 1.197 178.498 177.300 0.003 0.000 1.128 82 P CA 2.302 65.403 63.100 0.002 0.000 0.961 82 P CB -0.238 31.462 31.700 0.001 0.000 0.782 83 E N 0.374 120.576 120.200 0.003 0.000 2.130 83 E HA -0.234 4.116 4.350 0.001 0.000 0.196 83 E C 1.659 178.264 176.600 0.008 0.000 0.998 83 E CA 1.787 58.190 56.400 0.004 0.000 0.806 83 E CB -1.568 28.135 29.700 0.005 0.000 0.738 83 E HN 0.259 nan 8.360 nan 0.000 0.459 84 D N 1.232 121.639 120.400 0.012 0.000 2.084 84 D HA -0.098 4.542 4.640 0.001 0.000 0.194 84 D C 1.759 178.072 176.300 0.020 0.000 0.990 84 D CA 1.273 55.285 54.000 0.020 0.000 0.826 84 D CB -0.325 40.486 40.800 0.019 0.000 0.971 84 D HN 0.162 nan 8.370 nan 0.000 0.453 85 N N 0.484 119.192 118.700 0.014 0.000 2.205 85 N HA -0.137 4.604 4.740 0.001 0.000 0.186 85 N C 1.650 177.163 175.510 0.005 0.000 1.015 85 N CA 1.137 54.194 53.050 0.012 0.000 0.862 85 N CB -0.261 38.230 38.487 0.007 0.000 0.986 85 N HN 0.142 nan 8.380 nan 0.000 0.429 86 A N 1.494 124.315 122.820 0.001 0.000 1.898 86 A HA -0.135 4.186 4.320 0.001 0.000 0.216 86 A C 1.839 179.414 177.584 -0.015 0.000 1.181 86 A CA 1.435 53.468 52.037 -0.008 0.000 0.620 86 A CB -0.270 18.727 19.000 -0.006 0.000 0.819 86 A HN 0.108 nan 8.150 nan 0.000 0.442 87 D N -0.259 120.137 120.400 -0.006 0.000 2.097 87 D HA -0.127 4.514 4.640 0.001 0.000 0.197 87 D C 1.978 178.258 176.300 -0.034 0.000 0.984 87 D CA 1.211 55.203 54.000 -0.013 0.000 0.826 87 D CB -0.365 40.444 40.800 0.016 0.000 0.973 87 D HN 0.247 nan 8.370 nan 0.000 0.460 88 M N 0.666 120.270 119.600 0.007 0.000 2.202 88 M HA -0.078 4.402 4.480 0.001 0.000 0.262 88 M C 2.184 178.456 176.300 -0.046 0.000 1.063 88 M CA 0.720 56.034 55.300 0.023 0.000 1.097 88 M CB -1.002 31.645 32.600 0.078 0.000 1.382 88 M HN -0.032 nan 8.290 nan 0.000 0.413 89 A N -0.277 122.518 122.820 -0.042 0.000 1.930 89 A HA -0.119 4.202 4.320 0.001 0.000 0.215 89 A C 2.373 179.904 177.584 -0.089 0.000 1.176 89 A CA 1.252 53.259 52.037 -0.050 0.000 0.632 89 A CB -0.552 18.431 19.000 -0.028 0.000 0.819 89 A HN 0.445 nan 8.150 nan 0.000 0.445 90 R N -0.371 120.071 120.500 -0.097 0.000 2.070 90 R HA -0.066 4.275 4.340 0.001 0.000 0.233 90 R C 1.501 177.684 176.300 -0.195 0.000 1.137 90 R CA 1.509 57.541 56.100 -0.113 0.000 0.945 90 R CB -0.282 29.965 30.300 -0.088 0.000 0.845 90 R HN 0.384 nan 8.270 nan 0.000 0.430 91 L N 0.936 121.962 121.223 -0.329 0.000 2.478 91 L HA -0.036 4.305 4.340 0.001 0.000 0.223 91 L C 0.098 176.529 176.870 -0.732 0.000 1.140 91 L CA 1.153 55.600 54.840 -0.654 0.000 0.842 91 L CB -1.198 40.175 42.059 -1.143 0.000 0.953 91 L HN 0.385 nan 8.230 nan 0.000 0.452 92 D N -0.513 119.651 120.400 -0.394 0.000 2.716 92 D HA -0.246 4.395 4.640 0.001 0.000 0.239 92 D C -0.752 175.523 176.300 -0.042 0.000 1.125 92 D CA 0.337 54.230 54.000 -0.179 0.000 0.681 92 D CB -0.926 39.807 40.800 -0.111 0.000 1.070 92 D HN -0.041 nan 8.370 nan 0.000 0.432 93 F N -0.141 119.823 119.950 0.023 0.000 2.436 93 F HA 0.536 5.064 4.527 0.001 0.000 0.340 93 F C 1.327 177.133 175.800 0.010 0.000 1.113 93 F CA -0.631 57.383 58.000 0.023 0.000 1.022 93 F CB 0.434 39.452 39.000 0.030 0.000 1.128 93 F HN 0.112 nan 8.300 nan 0.000 0.466 94 N N 3.179 122.001 118.700 0.205 0.000 2.483 94 N HA 0.655 5.396 4.740 0.001 0.000 0.269 94 N C -0.400 175.149 175.510 0.065 0.000 1.209 94 N CA -0.669 52.439 53.050 0.098 0.000 0.969 94 N CB 0.568 39.091 38.487 0.060 0.000 1.173 94 N HN 0.605 nan 8.380 nan 0.000 0.475 95 L N 0.437 121.681 121.223 0.035 0.000 2.395 95 L HA 0.468 4.809 4.340 0.001 0.000 0.269 95 L C 0.138 176.996 176.870 -0.021 0.000 1.133 95 L CA -0.321 54.524 54.840 0.009 0.000 0.812 95 L CB 0.892 42.956 42.059 0.007 0.000 1.125 95 L HN 0.589 nan 8.230 nan 0.000 0.452 96 I N 2.582 123.126 120.570 -0.043 0.000 2.321 96 I HA 0.244 4.415 4.170 0.001 0.000 0.291 96 I C 0.854 176.931 176.117 -0.065 0.000 0.998 96 I CA -0.180 61.078 61.300 -0.070 0.000 1.227 96 I CB 1.759 39.697 38.000 -0.102 0.000 1.368 96 I HN 0.684 nan 8.210 nan 0.000 0.466 97 R N 4.383 124.841 120.500 -0.070 0.000 2.195 97 R HA 0.280 4.621 4.340 0.001 0.000 0.197 97 R C -0.288 175.968 176.300 -0.073 0.000 0.990 97 R CA 0.548 56.613 56.100 -0.059 0.000 1.048 97 R CB 0.729 31.001 30.300 -0.047 0.000 0.997 97 R HN 0.471 nan 8.270 nan 0.000 0.502 98 V N 1.290 121.134 119.914 -0.117 0.000 2.604 98 V HA 0.423 4.544 4.120 0.001 0.000 0.305 98 V C -0.925 175.040 176.094 -0.215 0.000 1.043 98 V CA -0.841 61.375 62.300 -0.141 0.000 0.888 98 V CB 2.097 33.813 31.823 -0.178 0.000 0.995 98 V HN -0.190 nan 8.190 nan 0.000 0.429 99 V N 3.328 123.137 119.914 -0.174 0.000 2.443 99 V HA 0.778 4.899 4.120 0.001 0.000 0.293 99 V C 0.052 176.044 176.094 -0.169 0.000 1.021 99 V CA -0.500 61.677 62.300 -0.205 0.000 0.848 99 V CB 1.758 33.493 31.823 -0.147 0.000 0.998 99 V HN 1.002 nan 8.190 nan 0.000 0.424 100 A N 3.959 126.635 122.820 -0.239 0.000 2.273 100 A HA 0.790 5.111 4.320 0.001 0.000 0.315 100 A C -0.564 177.009 177.584 -0.018 0.000 1.256 100 A CA -0.426 51.572 52.037 -0.065 0.000 0.851 100 A CB 1.049 20.028 19.000 -0.035 0.000 1.172 100 A HN 1.088 nan 8.150 nan 0.000 0.508 101 C N 3.704 122.992 119.300 -0.021 0.000 2.891 101 C HA 0.752 5.213 4.460 0.001 0.000 0.342 101 C C -1.521 173.414 174.990 -0.091 0.000 1.126 101 C CA -0.758 58.234 59.018 -0.044 0.000 1.322 101 C CB 1.198 28.883 27.740 -0.092 0.000 1.763 101 C HN 0.917 nan 8.230 nan 0.000 0.491 102 N N 3.463 122.130 118.700 -0.055 0.000 2.312 102 N HA 0.734 5.474 4.740 0.001 0.000 0.296 102 N C -1.262 174.212 175.510 -0.060 0.000 1.193 102 N CA -0.393 52.623 53.050 -0.058 0.000 0.773 102 N CB 1.815 40.311 38.487 0.015 0.000 1.435 102 N HN 0.681 nan 8.380 nan 0.000 0.484 103 L N 0.807 121.999 121.223 -0.051 0.000 2.352 103 L HA 0.464 4.804 4.340 0.001 0.000 0.269 103 L C -0.220 176.703 176.870 0.088 0.000 1.034 103 L CA -1.052 53.706 54.840 -0.136 0.000 0.806 103 L CB 0.392 42.175 42.059 -0.460 0.000 1.244 103 L HN 0.338 nan 8.230 nan 0.000 0.447 104 Y N 1.877 122.227 120.300 0.084 0.000 2.895 104 Y HA -0.035 4.516 4.550 0.001 0.000 0.334 104 Y C -1.592 174.444 175.900 0.227 0.000 1.261 104 Y CA -2.052 56.140 58.100 0.153 0.000 1.560 104 Y CB -0.669 37.907 38.460 0.194 0.000 1.253 104 Y HN 0.302 nan 8.280 nan 0.000 0.582 105 P HA -0.076 nan 4.420 nan 0.000 0.238 105 P C 0.705 178.109 177.300 0.175 0.000 1.729 105 P CA 0.328 63.554 63.100 0.210 0.000 1.055 105 P CB -0.689 31.073 31.700 0.103 0.000 1.980 106 F N 3.013 123.051 119.950 0.147 0.000 2.051 106 F HA -0.219 4.309 4.527 0.001 0.000 0.296 106 F C 2.121 177.838 175.800 -0.139 0.000 1.122 106 F CA 1.565 59.536 58.000 -0.048 0.000 1.201 106 F CB -0.646 38.229 39.000 -0.209 0.000 0.978 106 F HN -0.106 nan 8.300 nan 0.000 0.472 107 V N 1.178 121.121 119.914 0.049 0.000 2.282 107 V HA -0.381 3.740 4.120 0.001 0.000 0.249 107 V C 2.355 178.343 176.094 -0.177 0.000 1.057 107 V CA 2.473 64.728 62.300 -0.074 0.000 1.032 107 V CB -0.824 31.024 31.823 0.042 0.000 0.645 107 V HN 0.341 nan 8.190 nan 0.000 0.447 108 K N -0.551 119.784 120.400 -0.108 0.000 2.103 108 K HA -0.108 4.213 4.320 0.001 0.000 0.204 108 K C 2.229 178.721 176.600 -0.180 0.000 1.052 108 K CA 1.671 57.893 56.287 -0.109 0.000 0.945 108 K CB -0.485 31.986 32.500 -0.049 0.000 0.722 108 K HN 0.459 nan 8.250 nan 0.000 0.443 109 T N 1.576 115.982 114.554 -0.246 0.000 2.746 109 T HA -0.106 4.245 4.350 0.001 0.000 0.267 109 T C 2.017 176.470 174.700 -0.412 0.000 1.039 109 T CA 1.721 63.641 62.100 -0.301 0.000 1.142 109 T CB -0.200 68.475 68.868 -0.323 0.000 0.866 109 T HN 0.211 nan 8.240 nan 0.000 0.444 110 V N -0.185 119.346 119.914 -0.638 0.000 3.129 110 V HA 0.372 4.493 4.120 0.001 0.000 0.259 110 V C 2.369 178.269 176.094 -0.324 0.000 1.116 110 V CA 0.917 62.835 62.300 -0.636 0.000 1.127 110 V CB -1.125 30.051 31.823 -1.079 0.000 0.742 110 V HN 0.382 nan 8.190 nan 0.000 0.474 111 A N 0.344 123.013 122.820 -0.252 0.000 2.123 111 A HA 0.211 4.532 4.320 0.001 0.000 0.214 111 A C 1.575 179.094 177.584 -0.108 0.000 1.152 111 A CA 0.698 52.651 52.037 -0.141 0.000 0.728 111 A CB -0.463 18.471 19.000 -0.110 0.000 0.814 111 A HN 0.547 nan 8.150 nan 0.000 0.464 112 S N 1.410 117.033 115.700 -0.129 0.000 2.572 112 S HA 0.361 4.832 4.470 0.001 0.000 0.279 112 S C -2.443 172.115 174.600 -0.071 0.000 1.341 112 S CA -0.675 57.469 58.200 -0.093 0.000 1.043 112 S CB 0.322 63.461 63.200 -0.101 0.000 0.887 112 S HN 0.214 nan 8.310 nan 0.000 0.516 113 P HA 0.214 nan 4.420 nan 0.000 0.268 113 P C 0.609 177.891 177.300 -0.030 0.000 1.204 113 P CA 0.461 63.541 63.100 -0.033 0.000 0.768 113 P CB 0.217 31.902 31.700 -0.025 0.000 0.842 114 G N 1.928 110.717 108.800 -0.020 0.000 2.356 114 G HA2 -0.221 3.739 3.960 0.001 0.000 0.296 114 G HA3 -0.221 3.739 3.960 0.001 0.000 0.296 114 G C 0.196 175.086 174.900 -0.018 0.000 1.022 114 G CA 0.057 45.150 45.100 -0.013 0.000 0.961 114 G HN 0.617 nan 8.290 nan 0.000 0.510 115 V N 1.064 120.961 119.914 -0.030 0.000 2.583 115 V HA 0.729 4.850 4.120 0.001 0.000 0.287 115 V C 1.086 177.180 176.094 0.001 0.000 1.051 115 V CA 0.581 62.853 62.300 -0.047 0.000 1.010 115 V CB 1.303 33.056 31.823 -0.117 0.000 0.988 115 V HN 0.953 nan 8.190 nan 0.000 0.478 116 T N 3.128 117.688 114.554 0.009 0.000 2.943 116 T HA 0.413 4.764 4.350 0.001 0.000 0.284 116 T C 1.022 175.785 174.700 0.106 0.000 1.015 116 T CA -0.230 61.905 62.100 0.058 0.000 1.042 116 T CB 1.572 70.469 68.868 0.048 0.000 1.055 116 T HN 0.374 nan 8.240 nan 0.000 0.500 117 V N 1.410 121.430 119.914 0.176 0.000 2.332 117 V HA -0.143 3.978 4.120 0.001 0.000 0.248 117 V C 2.686 178.914 176.094 0.223 0.000 1.055 117 V CA 2.048 64.515 62.300 0.279 0.000 1.038 117 V CB -1.064 30.941 31.823 0.303 0.000 0.651 117 V HN 0.866 nan 8.190 nan 0.000 0.450 118 E N 0.354 120.646 120.200 0.154 0.000 2.058 118 E HA -0.220 4.130 4.350 0.001 0.000 0.194 118 E C 2.180 178.830 176.600 0.084 0.000 0.997 118 E CA 1.616 58.088 56.400 0.120 0.000 0.801 118 E CB -0.341 29.410 29.700 0.084 0.000 0.746 118 E HN 0.718 nan 8.360 nan 0.000 0.450 119 E N 0.268 120.492 120.200 0.041 0.000 2.072 119 E HA -0.114 4.237 4.350 0.001 0.000 0.191 119 E C 2.049 178.625 176.600 -0.040 0.000 0.985 119 E CA 0.943 57.337 56.400 -0.010 0.000 0.801 119 E CB -0.182 29.493 29.700 -0.042 0.000 0.750 119 E HN 0.266 nan 8.360 nan 0.000 0.452 120 A N 1.140 123.917 122.820 -0.072 0.000 1.877 120 A HA -0.146 4.175 4.320 0.001 0.000 0.216 120 A C 2.537 180.178 177.584 0.095 0.000 1.186 120 A CA 1.173 53.091 52.037 -0.198 0.000 0.620 120 A CB -0.800 17.914 19.000 -0.477 0.000 0.822 120 A HN 0.125 nan 8.150 nan 0.000 0.443 121 V N 0.064 120.099 119.914 0.201 0.000 2.392 121 V HA -0.230 3.891 4.120 0.001 0.000 0.249 121 V C 2.512 178.734 176.094 0.212 0.000 1.059 121 V CA 2.401 64.871 62.300 0.285 0.000 1.051 121 V CB -0.663 31.340 31.823 0.300 0.000 0.658 121 V HN 0.624 nan 8.190 nan 0.000 0.455 122 E N -0.314 119.965 120.200 0.132 0.000 2.418 122 E HA -0.117 4.234 4.350 0.001 0.000 0.197 122 E C 1.866 178.502 176.600 0.059 0.000 1.026 122 E CA 0.524 56.972 56.400 0.080 0.000 0.862 122 E CB -0.047 29.663 29.700 0.017 0.000 0.799 122 E HN 0.502 nan 8.360 nan 0.000 0.518 123 Q N -0.391 119.488 119.800 0.133 0.000 2.246 123 Q HA 0.210 4.550 4.340 0.001 0.000 0.202 123 Q C -0.174 176.125 176.000 0.499 0.000 0.883 123 Q CA -0.048 55.881 55.803 0.210 0.000 0.952 123 Q CB 0.487 29.306 28.738 0.135 0.000 1.078 123 Q HN 0.316 nan 8.270 nan 0.000 0.493 124 I N 1.807 122.628 120.570 0.419 0.000 2.322 124 I HA 0.055 4.226 4.170 0.001 0.000 0.292 124 I C 0.426 176.801 176.117 0.430 0.000 1.060 124 I CA -0.386 61.109 61.300 0.325 0.000 1.309 124 I CB 0.613 38.705 38.000 0.153 0.000 1.415 124 I HN -0.157 nan 8.210 nan 0.000 0.492 125 D N 6.999 127.666 120.400 0.445 0.000 2.348 125 D HA 0.099 4.740 4.640 0.001 0.000 0.253 125 D C 0.542 176.873 176.300 0.053 0.000 1.161 125 D CA 0.017 54.027 54.000 0.017 0.000 0.876 125 D CB 1.367 41.998 40.800 -0.283 0.000 1.160 125 D HN 0.323 nan 8.370 nan 0.000 0.459 126 I N 3.076 123.646 120.570 -0.001 0.000 3.196 126 I HA 0.042 4.212 4.170 0.001 0.000 0.248 126 I C 2.355 178.457 176.117 -0.025 0.000 1.105 126 I CA 0.430 61.744 61.300 0.023 0.000 1.482 126 I CB -1.372 36.661 38.000 0.054 0.000 1.400 126 I HN 0.531 nan 8.210 nan 0.000 0.464 127 G N 0.982 109.760 108.800 -0.037 0.000 2.422 127 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 127 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 127 G C 1.655 176.529 174.900 -0.042 0.000 1.146 127 G CA 0.950 46.040 45.100 -0.017 0.000 0.769 127 G HN 0.479 nan 8.290 nan 0.000 0.547 128 G N 0.389 109.108 108.800 -0.135 0.000 2.418 128 G HA2 -0.130 3.831 3.960 0.001 0.000 0.217 128 G HA3 -0.130 3.831 3.960 0.001 0.000 0.217 128 G C 1.761 176.580 174.900 -0.135 0.000 1.158 128 G CA 1.126 46.131 45.100 -0.158 0.000 0.771 128 G HN 0.315 nan 8.290 nan 0.000 0.545 129 V N 0.954 120.789 119.914 -0.131 0.000 2.407 129 V HA -0.175 3.946 4.120 0.001 0.000 0.248 129 V C 3.129 179.200 176.094 -0.039 0.000 1.055 129 V CA 2.317 64.564 62.300 -0.088 0.000 1.049 129 V CB -0.795 31.014 31.823 -0.024 0.000 0.662 129 V HN 0.378 nan 8.190 nan 0.000 0.455 130 T N 0.174 114.716 114.554 -0.020 0.000 2.904 130 T HA -0.041 4.310 4.350 0.001 0.000 0.267 130 T C 1.872 176.617 174.700 0.076 0.000 1.059 130 T CA 1.172 63.271 62.100 -0.002 0.000 1.137 130 T CB -0.206 68.617 68.868 -0.075 0.000 0.879 130 T HN 0.288 nan 8.240 nan 0.000 0.467 131 L N 0.437 121.712 121.223 0.087 0.000 2.017 131 L HA -0.061 4.279 4.340 0.001 0.000 0.208 131 L C 2.489 179.334 176.870 -0.042 0.000 1.073 131 L CA 1.224 56.096 54.840 0.053 0.000 0.745 131 L CB -0.603 41.436 42.059 -0.032 0.000 0.894 131 L HN 0.254 nan 8.230 nan 0.000 0.432 132 L N -0.671 120.495 121.223 -0.096 0.000 2.017 132 L HA -0.227 4.114 4.340 0.001 0.000 0.208 132 L C 2.908 179.629 176.870 -0.247 0.000 1.073 132 L CA 1.435 56.170 54.840 -0.175 0.000 0.745 132 L CB -0.511 41.433 42.059 -0.192 0.000 0.894 132 L HN 0.235 nan 8.230 nan 0.000 0.432 133 R N -0.215 120.178 120.500 -0.179 0.000 2.081 133 R HA -0.134 4.207 4.340 0.001 0.000 0.235 133 R C 2.411 178.672 176.300 -0.065 0.000 1.131 133 R CA 1.338 57.335 56.100 -0.172 0.000 0.960 133 R CB -0.519 29.847 30.300 0.111 0.000 0.856 133 R HN 0.358 nan 8.270 nan 0.000 0.436 134 A N 1.381 124.207 122.820 0.011 0.000 1.902 134 A HA -0.113 4.207 4.320 0.001 0.000 0.217 134 A C 2.393 179.987 177.584 0.016 0.000 1.181 134 A CA 1.711 53.786 52.037 0.063 0.000 0.623 134 A CB -0.635 18.461 19.000 0.160 0.000 0.818 134 A HN 0.401 nan 8.150 nan 0.000 0.443 135 A N -0.212 122.583 122.820 -0.043 0.000 1.902 135 A HA 0.180 4.501 4.320 0.001 0.000 0.217 135 A C 2.507 180.054 177.584 -0.063 0.000 1.181 135 A CA 2.085 54.086 52.037 -0.061 0.000 0.623 135 A CB -0.997 17.947 19.000 -0.094 0.000 0.818 135 A HN 1.033 nan 8.150 nan 0.000 0.443 136 A N -0.083 122.622 122.820 -0.192 0.000 1.898 136 A HA -0.151 4.170 4.320 0.001 0.000 0.216 136 A C 2.129 179.782 177.584 0.114 0.000 1.181 136 A CA 1.979 53.883 52.037 -0.222 0.000 0.620 136 A CB -0.486 17.996 19.000 -0.863 0.000 0.819 136 A HN 0.573 nan 8.150 nan 0.000 0.442 137 K N -0.422 120.072 120.400 0.157 0.000 2.063 137 K HA -0.207 4.113 4.320 0.001 0.000 0.208 137 K C 1.093 177.796 176.600 0.173 0.000 1.048 137 K CA 1.797 58.280 56.287 0.326 0.000 0.928 137 K CB -0.187 32.481 32.500 0.279 0.000 0.713 137 K HN 0.394 nan 8.250 nan 0.000 0.442 138 N N 0.939 119.684 118.700 0.075 0.000 2.378 138 N HA -0.044 4.696 4.740 0.001 0.000 0.243 138 N C 0.824 176.294 175.510 -0.066 0.000 1.137 138 N CA -0.095 52.943 53.050 -0.021 0.000 0.862 138 N CB -0.108 38.376 38.487 -0.006 0.000 1.116 138 N HN 0.369 nan 8.380 nan 0.000 0.499 139 H N -1.652 117.429 119.070 0.018 0.000 2.541 139 H HA -0.025 4.532 4.556 0.001 0.000 0.289 139 H C 1.301 176.637 175.328 0.013 0.000 1.054 139 H CA 1.089 57.141 56.048 0.006 0.000 1.250 139 H CB -0.149 29.621 29.762 0.013 0.000 1.369 139 H HN 0.236 nan 8.280 nan 0.000 0.578 140 A N 1.325 123.855 122.820 -0.483 0.000 2.019 140 A HA -0.151 4.169 4.320 0.001 0.000 0.219 140 A C 2.547 180.076 177.584 -0.092 0.000 1.164 140 A CA 1.678 53.553 52.037 -0.270 0.000 0.644 140 A CB -0.489 18.364 19.000 -0.245 0.000 0.805 140 A HN 0.516 nan 8.150 nan 0.000 0.449 141 R N -1.959 118.499 120.500 -0.070 0.000 2.350 141 R HA 0.228 4.569 4.340 0.001 0.000 0.199 141 R C -0.536 175.757 176.300 -0.012 0.000 0.876 141 R CA 0.347 56.429 56.100 -0.030 0.000 1.062 141 R CB 0.622 30.903 30.300 -0.031 0.000 1.263 141 R HN 0.197 nan 8.270 nan 0.000 0.641 142 V N 1.920 121.828 119.914 -0.010 0.000 2.567 142 V HA 0.285 4.405 4.120 0.001 0.000 0.289 142 V C -0.165 175.937 176.094 0.013 0.000 1.049 142 V CA -0.297 61.998 62.300 -0.008 0.000 0.969 142 V CB 1.604 33.414 31.823 -0.022 0.000 0.995 142 V HN 0.147 nan 8.190 nan 0.000 0.471 143 T N 4.285 118.839 114.554 0.000 0.000 2.733 143 T HA 0.397 4.747 4.350 0.001 0.000 0.294 143 T C -0.424 174.269 174.700 -0.012 0.000 0.956 143 T CA -0.069 62.039 62.100 0.014 0.000 0.987 143 T CB 1.233 70.122 68.868 0.035 0.000 0.920 143 T HN 0.479 nan 8.240 nan 0.000 0.470 144 V N 5.659 125.557 119.914 -0.027 0.000 2.435 144 V HA 0.664 4.785 4.120 0.001 0.000 0.290 144 V C -0.844 175.211 176.094 -0.064 0.000 1.030 144 V CA -0.434 61.826 62.300 -0.066 0.000 0.881 144 V CB 1.421 33.175 31.823 -0.114 0.000 0.983 144 V HN 0.671 nan 8.190 nan 0.000 0.445 145 V N 6.904 126.786 119.914 -0.054 0.000 2.409 145 V HA 0.238 4.359 4.120 0.001 0.000 0.290 145 V C 0.639 176.679 176.094 -0.091 0.000 1.017 145 V CA -0.260 62.010 62.300 -0.049 0.000 0.841 145 V CB 1.034 32.885 31.823 0.046 0.000 1.003 145 V HN 1.095 nan 8.190 nan 0.000 0.426 146 C N 0.982 120.163 119.300 -0.199 0.000 2.906 146 C HA 0.461 4.921 4.460 0.001 0.000 0.274 146 C C 0.465 175.273 174.990 -0.304 0.000 1.257 146 C CA -0.414 58.414 59.018 -0.317 0.000 1.695 146 C CB -1.012 26.377 27.740 -0.586 0.000 1.958 146 C HN 0.794 nan 8.230 nan 0.000 0.619 147 E N 1.519 121.557 120.200 -0.270 0.000 2.218 147 E HA 0.262 4.613 4.350 0.001 0.000 0.263 147 E C -2.122 174.158 176.600 -0.533 0.000 0.879 147 E CA -1.765 54.463 56.400 -0.287 0.000 0.762 147 E CB 2.068 31.650 29.700 -0.197 0.000 1.166 147 E HN -0.049 nan 8.360 nan 0.000 0.415 148 P HA -0.253 nan 4.420 nan 0.000 0.217 148 P C 1.326 178.084 177.300 -0.904 0.000 1.148 148 P CA 1.771 64.183 63.100 -1.148 0.000 0.828 148 P CB 0.284 31.682 31.700 -0.504 0.000 0.783 149 E N 0.025 119.950 120.200 -0.460 0.000 2.267 149 E HA -0.231 4.120 4.350 0.001 0.000 0.197 149 E C 1.467 177.910 176.600 -0.262 0.000 0.998 149 E CA 1.597 57.829 56.400 -0.280 0.000 0.830 149 E CB -1.493 28.105 29.700 -0.170 0.000 0.751 149 E HN 0.359 nan 8.360 nan 0.000 0.491 150 D N -1.090 119.108 120.400 -0.338 0.000 2.355 150 D HA 0.005 4.646 4.640 0.001 0.000 0.218 150 D C 1.261 177.457 176.300 -0.174 0.000 1.004 150 D CA 0.163 54.036 54.000 -0.212 0.000 0.880 150 D CB -0.167 40.529 40.800 -0.174 0.000 0.911 150 D HN 0.524 nan 8.370 nan 0.000 0.528 151 Y N 1.162 121.235 120.300 -0.378 0.000 2.081 151 Y HA -0.199 4.351 4.550 0.001 0.000 0.280 151 Y C 2.607 178.384 175.900 -0.205 0.000 1.163 151 Y CA 0.054 57.759 58.100 -0.659 0.000 1.135 151 Y CB -1.385 36.630 38.460 -0.741 0.000 0.970 151 Y HN -0.099 nan 8.280 nan 0.000 0.498 152 V N -0.208 119.757 119.914 0.085 0.000 2.282 152 V HA -0.270 3.851 4.120 0.001 0.000 0.249 152 V C 2.179 178.323 176.094 0.084 0.000 1.057 152 V CA 2.235 64.595 62.300 0.101 0.000 1.032 152 V CB -0.843 31.014 31.823 0.056 0.000 0.645 152 V HN 0.273 nan 8.190 nan 0.000 0.447 153 V N -0.152 119.785 119.914 0.039 0.000 2.332 153 V HA -0.215 3.906 4.120 0.001 0.000 0.248 153 V C 2.520 178.656 176.094 0.069 0.000 1.055 153 V CA 2.147 64.469 62.300 0.037 0.000 1.038 153 V CB -0.643 31.183 31.823 0.005 0.000 0.651 153 V HN 0.485 nan 8.190 nan 0.000 0.450 154 V N -0.126 119.846 119.914 0.096 0.000 2.358 154 V HA -0.220 3.901 4.120 0.001 0.000 0.246 154 V C 2.547 178.763 176.094 0.204 0.000 1.047 154 V CA 2.176 64.571 62.300 0.157 0.000 1.035 154 V CB -0.687 31.276 31.823 0.234 0.000 0.658 154 V HN 0.550 nan 8.190 nan 0.000 0.452 155 S N 0.072 115.937 115.700 0.276 0.000 2.354 155 S HA -0.255 4.216 4.470 0.001 0.000 0.219 155 S C 2.110 176.784 174.600 0.124 0.000 1.035 155 S CA 2.199 60.535 58.200 0.226 0.000 1.037 155 S CB -0.690 62.665 63.200 0.257 0.000 0.956 155 S HN 0.666 nan 8.310 nan 0.000 0.428 156 T N 1.808 116.424 114.554 0.104 0.000 2.624 156 T HA -0.242 4.109 4.350 0.001 0.000 0.268 156 T C 1.862 176.596 174.700 0.057 0.000 1.041 156 T CA 1.890 64.031 62.100 0.068 0.000 1.159 156 T CB -0.539 68.362 68.868 0.056 0.000 0.863 156 T HN 0.622 nan 8.240 nan 0.000 0.434 157 E N 0.300 120.536 120.200 0.060 0.000 2.118 157 E HA -0.141 4.210 4.350 0.001 0.000 0.195 157 E C 2.216 178.844 176.600 0.046 0.000 0.992 157 E CA 1.106 57.535 56.400 0.048 0.000 0.804 157 E CB -0.170 29.559 29.700 0.049 0.000 0.741 157 E HN 0.518 nan 8.360 nan 0.000 0.458 158 M N 0.027 119.661 119.600 0.057 0.000 2.156 158 M HA -0.147 4.333 4.480 0.001 0.000 0.264 158 M C 2.407 178.725 176.300 0.030 0.000 1.067 158 M CA 1.448 56.774 55.300 0.043 0.000 1.131 158 M CB -0.135 32.493 32.600 0.048 0.000 1.368 158 M HN 0.107 nan 8.290 nan 0.000 0.416 159 Q N 0.338 120.159 119.800 0.035 0.000 2.002 159 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 159 Q C 1.472 177.485 176.000 0.022 0.000 0.988 159 Q CA 1.881 57.700 55.803 0.026 0.000 0.843 159 Q CB -0.272 28.484 28.738 0.031 0.000 0.908 159 Q HN 0.518 nan 8.270 nan 0.000 0.420 160 S N -0.528 115.187 115.700 0.026 0.000 2.930 160 S HA 0.362 4.832 4.470 0.001 0.000 0.257 160 S C 0.101 174.713 174.600 0.020 0.000 1.208 160 S CA -0.085 58.128 58.200 0.021 0.000 1.233 160 S CB -0.179 63.035 63.200 0.022 0.000 0.900 160 S HN 0.294 nan 8.310 nan 0.000 0.472 161 S N 0.303 116.014 115.700 0.019 0.000 2.561 161 S HA 0.709 5.180 4.470 0.001 0.000 0.303 161 S C 0.617 175.225 174.600 0.013 0.000 1.110 161 S CA -0.307 57.903 58.200 0.017 0.000 1.034 161 S CB 0.851 64.063 63.200 0.020 0.000 1.010 161 S HN 0.521 nan 8.310 nan 0.000 0.482 162 E N 0.624 120.830 120.200 0.011 0.000 2.501 162 E HA 0.064 4.415 4.350 0.001 0.000 0.203 162 E C 1.362 177.967 176.600 0.007 0.000 1.072 162 E CA 1.715 58.120 56.400 0.009 0.000 0.885 162 E CB -0.753 28.952 29.700 0.008 0.000 0.813 162 E HN 1.275 nan 8.360 nan 0.000 0.556 163 S N -3.543 112.162 115.700 0.008 0.000 2.733 163 S HA 0.433 4.904 4.470 0.001 0.000 0.247 163 S C 1.388 175.990 174.600 0.005 0.000 1.043 163 S CA 1.107 59.310 58.200 0.006 0.000 1.066 163 S CB 0.176 63.380 63.200 0.007 0.000 1.045 163 S HN 1.446 nan 8.310 nan 0.000 0.586 164 K N -0.007 120.397 120.400 0.006 0.000 3.071 164 K HA -0.187 4.134 4.320 0.001 0.000 0.265 164 K C -0.398 176.205 176.600 0.005 0.000 1.060 164 K CA 1.643 57.932 56.287 0.004 0.000 0.767 164 K CB -2.772 29.727 32.500 -0.003 0.000 1.241 164 K HN 0.777 nan 8.250 nan 0.000 0.486 165 D N -1.677 118.730 120.400 0.012 0.000 2.652 165 D HA 0.688 5.328 4.640 0.001 0.000 0.285 165 D C 0.492 176.807 176.300 0.025 0.000 1.173 165 D CA 0.724 54.732 54.000 0.014 0.000 0.981 165 D CB 1.580 42.386 40.800 0.009 0.000 1.440 165 D HN 0.567 nan 8.370 nan 0.000 0.485 166 T N -1.625 112.947 114.554 0.030 0.000 2.862 166 T HA 0.638 4.989 4.350 0.001 0.000 0.276 166 T C 0.421 175.141 174.700 0.033 0.000 0.974 166 T CA -0.650 61.472 62.100 0.038 0.000 0.966 166 T CB 0.815 69.710 68.868 0.046 0.000 1.072 166 T HN 0.378 nan 8.240 nan 0.000 0.538 167 S N 0.104 115.825 115.700 0.035 0.000 2.646 167 S HA 0.364 4.834 4.470 0.001 0.000 0.276 167 S C 1.052 175.679 174.600 0.045 0.000 1.222 167 S CA -0.933 57.287 58.200 0.034 0.000 1.014 167 S CB 0.921 64.139 63.200 0.031 0.000 0.991 167 S HN 0.664 nan 8.310 nan 0.000 0.533 168 L N 0.733 121.985 121.223 0.049 0.000 2.046 168 L HA 0.014 4.354 4.340 0.001 0.000 0.208 168 L C 2.455 179.371 176.870 0.076 0.000 1.077 168 L CA 1.867 56.751 54.840 0.073 0.000 0.747 168 L CB -0.996 41.103 42.059 0.068 0.000 0.896 168 L HN 0.830 nan 8.230 nan 0.000 0.432 169 E N -0.807 119.423 120.200 0.050 0.000 2.204 169 E HA -0.163 4.188 4.350 0.001 0.000 0.195 169 E C 2.026 178.642 176.600 0.026 0.000 0.990 169 E CA 1.499 57.921 56.400 0.036 0.000 0.821 169 E CB -0.088 29.628 29.700 0.027 0.000 0.750 169 E HN 0.539 nan 8.360 nan 0.000 0.477 170 T N 0.189 114.762 114.554 0.031 0.000 2.896 170 T HA -0.005 4.345 4.350 0.001 0.000 0.263 170 T C 1.863 176.576 174.700 0.021 0.000 1.050 170 T CA 0.536 62.650 62.100 0.023 0.000 1.140 170 T CB 0.066 68.952 68.868 0.029 0.000 0.877 170 T HN 0.130 nan 8.240 nan 0.000 0.457 171 R N 0.752 121.280 120.500 0.048 0.000 2.115 171 R HA 0.105 4.445 4.340 0.001 0.000 0.230 171 R C 2.652 178.960 176.300 0.013 0.000 1.111 171 R CA 0.789 56.929 56.100 0.066 0.000 0.976 171 R CB -0.083 30.295 30.300 0.130 0.000 0.870 171 R HN 0.320 nan 8.270 nan 0.000 0.445 172 R N 0.457 120.951 120.500 -0.009 0.000 2.075 172 R HA -0.122 4.219 4.340 0.001 0.000 0.232 172 R C 2.394 178.610 176.300 -0.139 0.000 1.126 172 R CA 1.118 57.112 56.100 -0.176 0.000 0.963 172 R CB -0.252 30.010 30.300 -0.062 0.000 0.858 172 R HN 0.238 nan 8.270 nan 0.000 0.435 173 Q N 1.288 121.052 119.800 -0.060 0.000 2.119 173 Q HA -0.122 4.218 4.340 0.001 0.000 0.201 173 Q C 2.023 177.994 176.000 -0.049 0.000 0.972 173 Q CA 1.321 57.099 55.803 -0.042 0.000 0.847 173 Q CB 0.053 28.779 28.738 -0.020 0.000 0.903 173 Q HN 0.383 nan 8.270 nan 0.000 0.433 174 L N 0.252 121.443 121.223 -0.054 0.000 2.109 174 L HA -0.086 4.254 4.340 0.001 0.000 0.207 174 L C 2.652 179.466 176.870 -0.093 0.000 1.086 174 L CA 0.920 55.722 54.840 -0.063 0.000 0.760 174 L CB -0.609 41.423 42.059 -0.045 0.000 0.910 174 L HN 0.189 nan 8.230 nan 0.000 0.437 175 A N 0.221 122.971 122.820 -0.117 0.000 1.902 175 A HA -0.227 4.094 4.320 0.001 0.000 0.217 175 A C 2.208 179.746 177.584 -0.077 0.000 1.181 175 A CA 1.674 53.618 52.037 -0.155 0.000 0.623 175 A CB -0.687 18.176 19.000 -0.229 0.000 0.818 175 A HN 0.332 nan 8.150 nan 0.000 0.443 176 L N -0.084 121.118 121.223 -0.035 0.000 2.042 176 L HA -0.162 4.178 4.340 0.001 0.000 0.210 176 L C 2.168 179.069 176.870 0.052 0.000 1.076 176 L CA 2.308 57.177 54.840 0.048 0.000 0.749 176 L CB -0.535 41.531 42.059 0.012 0.000 0.893 176 L HN 0.318 nan 8.230 nan 0.000 0.432 177 K N -0.387 120.014 120.400 0.000 0.000 2.063 177 K HA -0.158 4.163 4.320 0.001 0.000 0.208 177 K C 2.085 178.693 176.600 0.013 0.000 1.048 177 K CA 1.427 57.718 56.287 0.007 0.000 0.928 177 K CB -0.438 32.042 32.500 -0.034 0.000 0.713 177 K HN 0.535 nan 8.250 nan 0.000 0.442 178 A N 1.047 123.820 122.820 -0.078 0.000 1.858 178 A HA -0.163 4.158 4.320 0.001 0.000 0.216 178 A C 1.952 179.502 177.584 -0.058 0.000 1.190 178 A CA 1.454 53.398 52.037 -0.155 0.000 0.617 178 A CB -0.751 18.051 19.000 -0.330 0.000 0.827 178 A HN 0.189 nan 8.150 nan 0.000 0.443 179 F N 0.619 120.584 119.950 0.024 0.000 2.234 179 F HA -0.077 4.451 4.527 0.001 0.000 0.299 179 F C 2.708 178.536 175.800 0.047 0.000 1.087 179 F CA 1.591 59.611 58.000 0.033 0.000 1.340 179 F CB -1.014 37.995 39.000 0.015 0.000 1.031 179 F HN 0.134 nan 8.300 nan 0.000 0.500 180 T N -1.764 112.926 114.554 0.226 0.000 2.821 180 T HA -0.210 4.140 4.350 0.001 0.000 0.267 180 T C 2.020 176.804 174.700 0.140 0.000 1.046 180 T CA 1.412 63.601 62.100 0.148 0.000 1.139 180 T CB -0.418 68.515 68.868 0.109 0.000 0.871 180 T HN 0.357 nan 8.240 nan 0.000 0.454 181 H N 1.214 120.313 119.070 0.047 0.000 2.293 181 H HA -0.105 4.452 4.556 0.001 0.000 0.300 181 H C 2.597 177.956 175.328 0.051 0.000 1.082 181 H CA 2.189 58.250 56.048 0.023 0.000 1.308 181 H CB -0.224 29.516 29.762 -0.037 0.000 1.375 181 H HN 0.491 nan 8.280 nan 0.000 0.495 182 T N -1.323 113.347 114.554 0.193 0.000 2.867 182 T HA 0.024 4.375 4.350 0.001 0.000 0.268 182 T C 2.234 177.031 174.700 0.163 0.000 1.057 182 T CA 1.104 63.303 62.100 0.165 0.000 1.136 182 T CB -0.542 68.423 68.868 0.162 0.000 0.874 182 T HN 0.369 nan 8.240 nan 0.000 0.466 183 A N 1.734 124.642 122.820 0.147 0.000 1.877 183 A HA -0.125 4.196 4.320 0.001 0.000 0.216 183 A C 2.585 180.208 177.584 0.065 0.000 1.186 183 A CA 1.454 53.550 52.037 0.099 0.000 0.620 183 A CB -0.732 18.317 19.000 0.083 0.000 0.822 183 A HN 0.447 nan 8.150 nan 0.000 0.443 184 Q N -1.775 118.055 119.800 0.051 0.000 2.119 184 Q HA -0.169 4.172 4.340 0.001 0.000 0.201 184 Q C 1.911 177.932 176.000 0.036 0.000 0.972 184 Q CA 1.581 57.397 55.803 0.021 0.000 0.847 184 Q CB -0.566 28.165 28.738 -0.013 0.000 0.903 184 Q HN 0.817 nan 8.270 nan 0.000 0.433 185 Y N 2.227 122.465 120.300 -0.104 0.000 2.070 185 Y HA -0.230 4.320 4.550 0.001 0.000 0.280 185 Y C 1.709 177.528 175.900 -0.135 0.000 1.148 185 Y CA 1.904 59.934 58.100 -0.117 0.000 1.125 185 Y CB -0.199 38.201 38.460 -0.100 0.000 0.975 185 Y HN 0.098 nan 8.280 nan 0.000 0.492 186 D N -0.379 120.021 120.400 -0.001 0.000 2.178 186 D HA -0.141 4.500 4.640 0.001 0.000 0.202 186 D C 2.069 178.307 176.300 -0.104 0.000 0.974 186 D CA 1.328 55.271 54.000 -0.095 0.000 0.841 186 D CB -0.240 40.567 40.800 0.012 0.000 0.953 186 D HN 0.400 nan 8.370 nan 0.000 0.478 187 E N 0.834 121.001 120.200 -0.054 0.000 2.077 187 E HA -0.105 4.246 4.350 0.001 0.000 0.193 187 E C 1.876 178.427 176.600 -0.082 0.000 0.989 187 E CA 1.468 57.840 56.400 -0.046 0.000 0.800 187 E CB -0.352 29.338 29.700 -0.016 0.000 0.746 187 E HN 0.151 nan 8.360 nan 0.000 0.452 188 A N 0.448 123.208 122.820 -0.100 0.000 1.902 188 A HA -0.124 4.197 4.320 0.001 0.000 0.217 188 A C 2.395 179.912 177.584 -0.111 0.000 1.181 188 A CA 1.540 53.539 52.037 -0.065 0.000 0.623 188 A CB -0.739 18.256 19.000 -0.009 0.000 0.818 188 A HN 0.349 nan 8.150 nan 0.000 0.443 189 I N 0.800 121.116 120.570 -0.425 0.000 2.163 189 I HA -0.287 3.884 4.170 0.001 0.000 0.243 189 I C 2.900 178.907 176.117 -0.184 0.000 1.085 189 I CA 1.764 62.698 61.300 -0.609 0.000 1.347 189 I CB -0.320 37.213 38.000 -0.777 0.000 1.044 189 I HN 0.498 nan 8.210 nan 0.000 0.408 190 S N -0.096 115.563 115.700 -0.067 0.000 2.402 190 S HA -0.245 4.226 4.470 0.001 0.000 0.229 190 S C 1.643 176.239 174.600 -0.008 0.000 1.021 190 S CA 1.523 59.752 58.200 0.047 0.000 0.974 190 S CB -0.533 62.682 63.200 0.027 0.000 0.800 190 S HN 0.489 nan 8.310 nan 0.000 0.484 191 D N 0.425 120.778 120.400 -0.079 0.000 2.144 191 D HA -0.162 4.479 4.640 0.001 0.000 0.200 191 D C 1.742 177.995 176.300 -0.078 0.000 0.978 191 D CA 0.989 54.905 54.000 -0.140 0.000 0.833 191 D CB -0.405 40.300 40.800 -0.159 0.000 0.961 191 D HN 0.505 nan 8.370 nan 0.000 0.470 192 Y N -0.141 120.052 120.300 -0.178 0.000 2.163 192 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 192 Y C 1.626 177.362 175.900 -0.273 0.000 1.136 192 Y CA 1.521 59.478 58.100 -0.238 0.000 1.147 192 Y CB -0.568 37.740 38.460 -0.252 0.000 0.987 192 Y HN -0.064 nan 8.280 nan 0.000 0.509 193 F N 0.264 120.076 119.950 -0.230 0.000 2.293 193 F HA -0.041 4.486 4.527 0.001 0.000 0.300 193 F C 2.509 178.119 175.800 -0.317 0.000 1.086 193 F CA 1.125 58.847 58.000 -0.462 0.000 1.375 193 F CB -0.643 38.249 39.000 -0.181 0.000 1.045 193 F HN -0.011 nan 8.300 nan 0.000 0.516 194 R N 0.355 120.843 120.500 -0.020 0.000 2.075 194 R HA -0.115 4.225 4.340 0.001 0.000 0.232 194 R C 2.121 178.373 176.300 -0.080 0.000 1.126 194 R CA 1.245 57.330 56.100 -0.026 0.000 0.963 194 R CB -0.169 30.090 30.300 -0.068 0.000 0.858 194 R HN 0.227 nan 8.270 nan 0.000 0.435 195 K N -0.085 120.221 120.400 -0.157 0.000 2.097 195 K HA -0.117 4.203 4.320 0.001 0.000 0.205 195 K C 2.199 178.677 176.600 -0.203 0.000 1.050 195 K CA 1.006 57.199 56.287 -0.157 0.000 0.938 195 K CB 0.094 32.500 32.500 -0.156 0.000 0.718 195 K HN 0.078 nan 8.250 nan 0.000 0.442 196 Q N -0.602 118.965 119.800 -0.389 0.000 2.137 196 Q HA -0.059 4.281 4.340 0.001 0.000 0.198 196 Q C 1.375 177.327 176.000 -0.080 0.000 0.960 196 Q CA 1.452 57.018 55.803 -0.395 0.000 0.847 196 Q CB 0.175 28.412 28.738 -0.836 0.000 0.915 196 Q HN 0.435 nan 8.270 nan 0.000 0.448 197 Y N -1.600 118.674 120.300 -0.044 0.000 2.445 197 Y HA 0.314 4.865 4.550 0.001 0.000 0.247 197 Y C 1.384 177.269 175.900 -0.025 0.000 1.129 197 Y CA -0.538 57.547 58.100 -0.026 0.000 1.251 197 Y CB 0.545 38.992 38.460 -0.021 0.000 1.176 197 Y HN -0.125 nan 8.280 nan 0.000 0.522 198 S N 0.051 115.821 115.700 0.116 0.000 2.843 198 S HA 0.153 4.624 4.470 0.001 0.000 0.249 198 S C 0.145 174.762 174.600 0.030 0.000 1.047 198 S CA -0.531 57.709 58.200 0.066 0.000 1.042 198 S CB -0.233 63.006 63.200 0.065 0.000 0.936 198 S HN 0.175 nan 8.310 nan 0.000 0.531 199 K N 0.858 121.270 120.400 0.020 0.000 2.472 199 K HA 0.262 4.582 4.320 0.001 0.000 0.280 199 K C 1.191 177.793 176.600 0.002 0.000 1.028 199 K CA 1.321 57.610 56.287 0.004 0.000 1.045 199 K CB -0.162 32.337 32.500 -0.002 0.000 0.902 199 K HN 0.391 nan 8.250 nan 0.000 0.478 200 G N 2.168 110.966 108.800 -0.004 0.000 2.184 200 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 200 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 200 G C 0.448 175.339 174.900 -0.015 0.000 0.975 200 G CA 0.410 45.502 45.100 -0.013 0.000 0.642 200 G HN 0.471 nan 8.290 nan 0.000 0.536 201 V N 0.401 120.313 119.914 -0.004 0.000 3.050 201 V HA 0.260 4.381 4.120 0.001 0.000 0.223 201 V C 2.352 178.444 176.094 -0.003 0.000 1.162 201 V CA 2.189 64.486 62.300 -0.006 0.000 1.247 201 V CB 0.294 32.119 31.823 0.004 0.000 1.125 201 V HN 0.926 nan 8.190 nan 0.000 0.508 202 S N -1.179 114.532 115.700 0.019 0.000 2.539 202 S HA 0.224 4.694 4.470 0.001 0.000 0.221 202 S C 0.485 175.127 174.600 0.070 0.000 0.987 202 S CA -0.105 58.117 58.200 0.036 0.000 0.929 202 S CB 0.359 63.591 63.200 0.053 0.000 0.832 202 S HN 0.437 nan 8.310 nan 0.000 0.492 203 Q N 1.047 120.877 119.800 0.050 0.000 2.305 203 Q HA 0.506 4.846 4.340 0.001 0.000 0.271 203 Q C -2.024 173.996 176.000 0.034 0.000 1.046 203 Q CA -0.316 55.526 55.803 0.066 0.000 0.798 203 Q CB 2.130 30.885 28.738 0.028 0.000 1.286 203 Q HN 0.539 nan 8.270 nan 0.000 0.435 204 M N 5.624 125.249 119.600 0.042 0.000 2.124 204 M HA 0.447 4.928 4.480 0.001 0.000 0.280 204 M C -2.650 173.664 176.300 0.022 0.000 0.954 204 M CA -1.613 53.694 55.300 0.011 0.000 0.958 204 M CB 2.256 34.846 32.600 -0.018 0.000 1.611 204 M HN 0.215 nan 8.290 nan 0.000 0.449 205 P HA 0.294 nan 4.420 nan 0.000 0.271 205 P C -1.344 175.960 177.300 0.007 0.000 1.216 205 P CA -0.030 63.081 63.100 0.019 0.000 0.776 205 P CB 0.592 32.296 31.700 0.007 0.000 0.881 206 L N 3.048 124.284 121.223 0.021 0.000 2.342 206 L HA 0.490 4.831 4.340 0.001 0.000 0.271 206 L C 2.020 178.867 176.870 -0.038 0.000 1.008 206 L CA -0.924 53.910 54.840 -0.009 0.000 0.818 206 L CB 1.962 44.048 42.059 0.045 0.000 1.296 206 L HN 0.391 nan 8.230 nan 0.000 0.427 207 R N 1.430 121.844 120.500 -0.143 0.000 2.117 207 R HA -0.120 4.220 4.340 0.001 0.000 0.243 207 R C -0.423 175.847 176.300 -0.051 0.000 1.143 207 R CA 1.531 57.526 56.100 -0.176 0.000 0.968 207 R CB -0.363 29.706 30.300 -0.385 0.000 0.863 207 R HN 0.641 nan 8.270 nan 0.000 0.444 208 Y N -4.274 116.041 120.300 0.025 0.000 2.891 208 Y HA 0.572 5.122 4.550 0.001 0.000 0.361 208 Y C 0.056 175.929 175.900 -0.045 0.000 1.255 208 Y CA -1.156 56.932 58.100 -0.021 0.000 1.103 208 Y CB 0.075 38.509 38.460 -0.044 0.000 1.454 208 Y HN -0.045 nan 8.280 nan 0.000 0.449 209 G N 0.304 109.154 108.800 0.084 0.000 2.928 209 G HA2 0.277 4.237 3.960 0.001 0.000 0.163 209 G HA3 0.277 4.237 3.960 0.001 0.000 0.163 209 G C 0.559 175.250 174.900 -0.348 0.000 1.573 209 G CA 0.042 44.913 45.100 -0.382 0.000 1.084 209 G HN 0.767 nan 8.290 nan 0.000 0.569 210 M N 0.134 119.341 119.600 -0.655 0.000 2.144 210 M HA 0.019 4.499 4.480 0.001 0.000 0.260 210 M C 0.356 176.612 176.300 -0.073 0.000 1.067 210 M CA 1.178 56.324 55.300 -0.258 0.000 1.095 210 M CB -0.317 32.150 32.600 -0.221 0.000 1.365 210 M HN 0.337 nan 8.290 nan 0.000 0.406 211 N N -2.116 116.461 118.700 -0.206 0.000 2.357 211 N HA 0.269 5.010 4.740 0.001 0.000 0.284 211 N C -2.392 172.785 175.510 -0.554 0.000 1.236 211 N CA -1.273 51.615 53.050 -0.270 0.000 0.774 211 N CB 1.247 39.590 38.487 -0.241 0.000 1.534 211 N HN -0.259 nan 8.380 nan 0.000 0.478 212 P HA -0.194 nan 4.420 nan 0.000 0.216 212 P C 1.034 178.051 177.300 -0.470 0.000 1.154 212 P CA 1.620 64.063 63.100 -1.095 0.000 0.865 212 P CB -0.114 31.186 31.700 -0.667 0.000 0.789 213 H N -1.363 117.556 119.070 -0.252 0.000 2.563 213 H HA 0.068 4.625 4.556 0.001 0.000 0.272 213 H C 0.149 175.428 175.328 -0.082 0.000 1.005 213 H CA 0.437 56.408 56.048 -0.128 0.000 1.171 213 H CB -0.796 28.910 29.762 -0.092 0.000 1.351 213 H HN 0.262 nan 8.280 nan 0.000 0.602 214 Q N 2.419 121.976 119.800 -0.404 0.000 2.655 214 Q HA 0.220 4.561 4.340 0.001 0.000 0.228 214 Q C -0.309 175.639 176.000 -0.087 0.000 1.186 214 Q CA -0.349 55.304 55.803 -0.249 0.000 1.004 214 Q CB 0.907 29.434 28.738 -0.353 0.000 1.242 214 Q HN 0.444 nan 8.270 nan 0.000 0.558 215 T N -1.638 112.904 114.554 -0.021 0.000 2.908 215 T HA 0.751 5.102 4.350 0.001 0.000 0.290 215 T C -1.884 172.831 174.700 0.024 0.000 1.034 215 T CA -1.437 60.681 62.100 0.031 0.000 1.010 215 T CB 1.638 70.542 68.868 0.059 0.000 1.068 215 T HN 0.208 nan 8.240 nan 0.000 0.481 216 P HA 0.819 nan 4.420 nan 0.000 0.297 216 P C -1.337 176.000 177.300 0.062 0.000 1.307 216 P CA -0.856 62.274 63.100 0.051 0.000 0.773 216 P CB 0.921 32.647 31.700 0.044 0.000 1.265 217 A N -0.281 122.591 122.820 0.087 0.000 2.594 217 A HA 0.652 4.972 4.320 0.001 0.000 0.295 217 A C -1.284 176.390 177.584 0.150 0.000 1.071 217 A CA -0.518 51.602 52.037 0.140 0.000 0.685 217 A CB 1.798 20.896 19.000 0.163 0.000 1.285 217 A HN 0.793 nan 8.150 nan 0.000 0.405 218 Q N 0.039 119.958 119.800 0.198 0.000 2.575 218 Q HA 0.761 5.102 4.340 0.001 0.000 0.290 218 Q C -2.053 174.041 176.000 0.158 0.000 0.963 218 Q CA -0.873 55.027 55.803 0.162 0.000 0.783 218 Q CB 1.565 30.402 28.738 0.165 0.000 1.467 218 Q HN 1.151 nan 8.270 nan 0.000 0.402 219 L N 2.138 123.419 121.223 0.098 0.000 2.362 219 L HA 0.823 5.164 4.340 0.001 0.000 0.271 219 L C -1.748 175.186 176.870 0.107 0.000 1.002 219 L CA -0.364 54.475 54.840 -0.002 0.000 0.818 219 L CB 1.833 43.842 42.059 -0.084 0.000 1.298 219 L HN 0.781 nan 8.230 nan 0.000 0.420 220 Y N 0.725 121.001 120.300 -0.041 0.000 2.677 220 Y HA 0.756 5.307 4.550 0.001 0.000 0.334 220 Y C -1.190 174.694 175.900 -0.027 0.000 1.196 220 Y CA -0.774 57.308 58.100 -0.030 0.000 1.059 220 Y CB 1.132 39.588 38.460 -0.007 0.000 1.315 220 Y HN 0.725 nan 8.280 nan 0.000 0.455 221 T N 1.144 115.809 114.554 0.185 0.000 2.883 221 T HA 0.488 4.839 4.350 0.001 0.000 0.296 221 T C -0.272 174.559 174.700 0.219 0.000 1.117 221 T CA -0.907 61.255 62.100 0.103 0.000 1.006 221 T CB 1.250 70.133 68.868 0.024 0.000 1.191 221 T HN 0.842 nan 8.240 nan 0.000 0.508 222 L N 1.536 122.858 121.223 0.165 0.000 2.592 222 L HA 0.248 4.589 4.340 0.001 0.000 0.227 222 L C 1.138 178.065 176.870 0.095 0.000 1.127 222 L CA -0.084 54.841 54.840 0.142 0.000 0.884 222 L CB -0.066 42.067 42.059 0.123 0.000 1.065 222 L HN 0.489 nan 8.230 nan 0.000 0.457 223 Q N 0.170 120.023 119.800 0.088 0.000 2.318 223 Q HA 0.175 4.515 4.340 0.001 0.000 0.222 223 Q C -1.395 174.638 176.000 0.056 0.000 1.003 223 Q CA -1.573 54.273 55.803 0.071 0.000 0.936 223 Q CB 0.295 29.083 28.738 0.083 0.000 1.204 223 Q HN -0.135 nan 8.270 nan 0.000 0.524 224 P HA -0.067 nan 4.420 nan 0.000 0.218 224 P C -0.140 177.173 177.300 0.021 0.000 1.149 224 P CA 1.501 64.619 63.100 0.030 0.000 0.817 224 P CB 0.415 32.127 31.700 0.021 0.000 0.785 225 K N -0.879 119.529 120.400 0.013 0.000 2.502 225 K HA 0.319 4.640 4.320 0.001 0.000 0.257 225 K C -0.962 175.613 176.600 -0.041 0.000 0.938 225 K CA -0.825 55.456 56.287 -0.010 0.000 0.819 225 K CB 1.351 33.841 32.500 -0.017 0.000 1.333 225 K HN -0.166 nan 8.250 nan 0.000 0.434 226 L N 4.501 125.682 121.223 -0.069 0.000 2.461 226 L HA 0.181 4.522 4.340 0.001 0.000 0.272 226 L C -1.261 175.488 176.870 -0.203 0.000 1.197 226 L CA -1.263 53.492 54.840 -0.142 0.000 0.836 226 L CB 0.769 42.753 42.059 -0.125 0.000 1.105 226 L HN 0.616 nan 8.230 nan 0.000 0.477 227 P HA 0.043 nan 4.420 nan 0.000 0.245 227 P C 0.197 177.312 177.300 -0.309 0.000 1.212 227 P CA 0.833 63.710 63.100 -0.372 0.000 0.774 227 P CB 0.405 31.654 31.700 -0.753 0.000 0.999 228 I N 0.589 120.990 120.570 -0.282 0.000 2.437 228 I HA 0.238 4.409 4.170 0.001 0.000 0.298 228 I C 0.394 176.417 176.117 -0.156 0.000 0.984 228 I CA -0.542 60.616 61.300 -0.236 0.000 1.214 228 I CB 2.034 39.891 38.000 -0.239 0.000 1.365 228 I HN -0.141 nan 8.210 nan 0.000 0.469 229 T N 3.170 117.649 114.554 -0.125 0.000 2.841 229 T HA 0.540 4.891 4.350 0.001 0.000 0.285 229 T C -0.606 174.050 174.700 -0.075 0.000 0.991 229 T CA -0.707 61.342 62.100 -0.085 0.000 0.966 229 T CB 1.404 70.234 68.868 -0.064 0.000 0.962 229 T HN 0.164 nan 8.240 nan 0.000 0.438 230 V N 5.889 125.760 119.914 -0.072 0.000 2.408 230 V HA 0.250 4.370 4.120 0.001 0.000 0.267 230 V C 1.172 177.222 176.094 -0.074 0.000 1.047 230 V CA -0.389 61.867 62.300 -0.073 0.000 0.937 230 V CB 0.441 32.222 31.823 -0.070 0.000 0.999 230 V HN 0.925 nan 8.190 nan 0.000 0.472 231 L N 3.139 124.304 121.223 -0.097 0.000 2.408 231 L HA 0.325 4.666 4.340 0.001 0.000 0.215 231 L C 0.735 177.538 176.870 -0.113 0.000 1.081 231 L CA 0.552 55.327 54.840 -0.109 0.000 0.840 231 L CB 0.080 42.044 42.059 -0.159 0.000 1.002 231 L HN 0.700 nan 8.230 nan 0.000 0.468 232 N N -1.298 117.328 118.700 -0.122 0.000 2.405 232 N HA 0.515 5.256 4.740 0.001 0.000 0.274 232 N C -0.141 175.313 175.510 -0.092 0.000 1.170 232 N CA 0.598 53.590 53.050 -0.095 0.000 0.848 232 N CB 1.782 40.215 38.487 -0.090 0.000 1.629 232 N HN 0.160 nan 8.380 nan 0.000 0.481 233 G N 0.984 109.746 108.800 -0.064 0.000 2.601 233 G HA2 0.327 4.288 3.960 0.001 0.000 0.252 233 G HA3 0.327 4.288 3.960 0.001 0.000 0.252 233 G C -0.822 174.039 174.900 -0.064 0.000 1.294 233 G CA -0.021 45.041 45.100 -0.062 0.000 0.912 233 G HN 1.378 nan 8.290 nan 0.000 0.574 234 A N 0.404 123.185 122.820 -0.064 0.000 2.497 234 A HA 0.775 5.096 4.320 0.001 0.000 0.280 234 A C -2.099 175.448 177.584 -0.063 0.000 1.065 234 A CA -0.094 51.906 52.037 -0.062 0.000 0.781 234 A CB 1.718 20.684 19.000 -0.056 0.000 1.289 234 A HN 1.074 nan 8.150 nan 0.000 0.415 235 P HA 0.321 nan 4.420 nan 0.000 0.268 235 P C 0.489 177.747 177.300 -0.069 0.000 1.205 235 P CA 0.484 63.554 63.100 -0.050 0.000 0.771 235 P CB 1.216 32.875 31.700 -0.068 0.000 0.858 236 G N 0.884 109.649 108.800 -0.058 0.000 2.531 236 G HA2 0.255 4.215 3.960 0.001 0.000 0.313 236 G HA3 0.255 4.215 3.960 0.001 0.000 0.313 236 G C 0.154 175.059 174.900 0.008 0.000 1.238 236 G CA -0.739 44.323 45.100 -0.064 0.000 0.994 236 G HN 0.414 nan 8.290 nan 0.000 0.493 237 F N -0.269 119.629 119.950 -0.087 0.000 2.113 237 F HA -0.003 4.525 4.527 0.001 0.000 0.297 237 F C 2.458 178.235 175.800 -0.039 0.000 1.103 237 F CA 1.405 59.379 58.000 -0.044 0.000 1.248 237 F CB 0.018 39.022 39.000 0.007 0.000 0.999 237 F HN 0.231 nan 8.300 nan 0.000 0.475 238 I N -0.030 120.705 120.570 0.275 0.000 2.439 238 I HA -0.282 3.888 4.170 0.001 0.000 0.251 238 I C 1.931 178.033 176.117 -0.026 0.000 1.139 238 I CA 1.250 62.644 61.300 0.156 0.000 1.438 238 I CB -0.740 37.363 38.000 0.172 0.000 1.085 238 I HN 0.224 nan 8.210 nan 0.000 0.427 239 N N 0.972 119.640 118.700 -0.054 0.000 2.094 239 N HA -0.202 4.539 4.740 0.001 0.000 0.191 239 N C 1.901 177.105 175.510 -0.509 0.000 1.023 239 N CA 1.174 54.098 53.050 -0.210 0.000 0.857 239 N CB -0.074 38.376 38.487 -0.062 0.000 1.013 239 N HN 0.273 nan 8.380 nan 0.000 0.426 240 L N 0.011 121.025 121.223 -0.349 0.000 2.109 240 L HA -0.116 4.225 4.340 0.001 0.000 0.207 240 L C 2.372 179.033 176.870 -0.348 0.000 1.086 240 L CA 0.526 55.133 54.840 -0.388 0.000 0.760 240 L CB -0.285 41.566 42.059 -0.348 0.000 0.910 240 L HN 0.363 nan 8.230 nan 0.000 0.437 241 C N -0.156 118.983 119.300 -0.269 0.000 2.429 241 C HA -0.167 4.293 4.460 0.001 0.000 0.277 241 C C 2.470 177.395 174.990 -0.108 0.000 1.262 241 C CA 0.617 59.550 59.018 -0.142 0.000 1.733 241 C CB -0.698 27.029 27.740 -0.022 0.000 2.010 241 C HN 0.548 nan 8.230 nan 0.000 0.483 242 D N 0.818 121.120 120.400 -0.162 0.000 2.084 242 D HA -0.069 4.572 4.640 0.001 0.000 0.196 242 D C 2.363 178.376 176.300 -0.478 0.000 0.985 242 D CA 1.718 55.630 54.000 -0.147 0.000 0.826 242 D CB -0.636 40.132 40.800 -0.053 0.000 0.978 242 D HN 0.463 nan 8.370 nan 0.000 0.456 243 A N 1.122 123.492 122.820 -0.751 0.000 1.892 243 A HA -0.173 4.148 4.320 0.001 0.000 0.218 243 A C 2.466 179.859 177.584 -0.318 0.000 1.188 243 A CA 1.233 52.884 52.037 -0.644 0.000 0.631 243 A CB -0.930 17.586 19.000 -0.807 0.000 0.822 243 A HN 0.212 nan 8.150 nan 0.000 0.447 244 L N -0.578 120.484 121.223 -0.268 0.000 2.093 244 L HA -0.156 4.185 4.340 0.001 0.000 0.208 244 L C 2.337 179.138 176.870 -0.116 0.000 1.085 244 L CA 1.119 55.887 54.840 -0.120 0.000 0.755 244 L CB -0.586 41.409 42.059 -0.107 0.000 0.904 244 L HN 0.427 nan 8.230 nan 0.000 0.435 245 N N 0.155 118.743 118.700 -0.186 0.000 2.216 245 N HA -0.080 4.660 4.740 0.001 0.000 0.183 245 N C 1.897 177.056 175.510 -0.584 0.000 1.017 245 N CA 1.331 54.260 53.050 -0.201 0.000 0.861 245 N CB 0.029 38.627 38.487 0.184 0.000 0.986 245 N HN 0.273 nan 8.380 nan 0.000 0.428 246 A N 1.350 123.617 122.820 -0.923 0.000 1.898 246 A HA -0.147 4.174 4.320 0.001 0.000 0.216 246 A C 2.017 179.389 177.584 -0.354 0.000 1.181 246 A CA 0.803 52.246 52.037 -0.990 0.000 0.620 246 A CB -1.080 17.327 19.000 -0.988 0.000 0.819 246 A HN 0.601 nan 8.150 nan 0.000 0.442 247 W N 0.741 121.814 121.300 -0.377 0.000 2.358 247 W HA -0.225 4.436 4.660 0.001 0.000 0.303 247 W C 1.915 178.285 176.519 -0.249 0.000 1.208 247 W CA 1.867 59.073 57.345 -0.232 0.000 1.274 247 W CB -0.220 29.136 29.460 -0.173 0.000 1.138 247 W HN 0.498 nan 8.180 nan 0.000 0.515 248 Q N 0.636 120.142 119.800 -0.491 0.000 2.079 248 Q HA -0.215 4.125 4.340 0.001 0.000 0.200 248 Q C 2.521 178.095 176.000 -0.709 0.000 0.974 248 Q CA 1.699 57.108 55.803 -0.657 0.000 0.840 248 Q CB -0.524 27.831 28.738 -0.639 0.000 0.898 248 Q HN 0.374 nan 8.270 nan 0.000 0.430 249 L N 0.789 121.540 121.223 -0.787 0.000 1.989 249 L HA -0.192 4.148 4.340 0.001 0.000 0.211 249 L C 2.377 179.122 176.870 -0.209 0.000 1.071 249 L CA 1.547 56.162 54.840 -0.375 0.000 0.749 249 L CB -0.313 41.690 42.059 -0.094 0.000 0.890 249 L HN 0.251 nan 8.230 nan 0.000 0.431 250 V N -2.618 117.144 119.914 -0.253 0.000 2.548 250 V HA -0.234 3.887 4.120 0.001 0.000 0.249 250 V C 2.466 178.358 176.094 -0.337 0.000 1.055 250 V CA 1.917 64.092 62.300 -0.209 0.000 1.065 250 V CB -0.807 30.943 31.823 -0.122 0.000 0.681 250 V HN 0.492 nan 8.190 nan 0.000 0.462 251 K N 0.391 120.430 120.400 -0.601 0.000 2.057 251 K HA -0.192 4.128 4.320 0.001 0.000 0.206 251 K C 2.212 178.627 176.600 -0.309 0.000 1.050 251 K CA 2.004 57.924 56.287 -0.613 0.000 0.935 251 K CB -0.172 31.784 32.500 -0.907 0.000 0.715 251 K HN 0.665 nan 8.250 nan 0.000 0.439 252 E N 0.539 120.599 120.200 -0.233 0.000 2.107 252 E HA -0.119 4.232 4.350 0.001 0.000 0.191 252 E C 2.090 178.656 176.600 -0.057 0.000 0.982 252 E CA 0.633 56.974 56.400 -0.097 0.000 0.809 252 E CB 0.056 29.753 29.700 -0.005 0.000 0.756 252 E HN 0.277 nan 8.360 nan 0.000 0.459 253 L N 0.902 122.091 121.223 -0.057 0.000 1.994 253 L HA -0.242 4.098 4.340 0.001 0.000 0.208 253 L C 2.546 179.395 176.870 -0.034 0.000 1.071 253 L CA 1.306 56.133 54.840 -0.023 0.000 0.745 253 L CB -0.251 41.801 42.059 -0.011 0.000 0.892 253 L HN 0.041 nan 8.230 nan 0.000 0.431 254 K N 0.536 120.898 120.400 -0.064 0.000 2.026 254 K HA -0.213 4.107 4.320 0.001 0.000 0.208 254 K C 1.855 178.427 176.600 -0.048 0.000 1.048 254 K CA 1.640 57.894 56.287 -0.055 0.000 0.929 254 K CB -0.138 32.316 32.500 -0.077 0.000 0.713 254 K HN 0.234 nan 8.250 nan 0.000 0.439 255 E N -0.638 119.524 120.200 -0.064 0.000 2.110 255 E HA -0.163 4.188 4.350 0.001 0.000 0.193 255 E C 1.834 178.418 176.600 -0.027 0.000 0.988 255 E CA 1.142 57.514 56.400 -0.047 0.000 0.804 255 E CB -0.144 29.521 29.700 -0.058 0.000 0.745 255 E HN 0.479 nan 8.360 nan 0.000 0.458 256 A N 0.234 123.042 122.820 -0.020 0.000 1.930 256 A HA -0.045 4.276 4.320 0.001 0.000 0.215 256 A C 1.950 179.535 177.584 0.000 0.000 1.176 256 A CA 0.907 52.943 52.037 -0.001 0.000 0.632 256 A CB -0.057 18.952 19.000 0.016 0.000 0.819 256 A HN 0.149 nan 8.150 nan 0.000 0.445 257 L N -2.175 119.044 121.223 -0.006 0.000 2.638 257 L HA 0.295 4.636 4.340 0.001 0.000 0.232 257 L C 1.562 178.427 176.870 -0.008 0.000 1.099 257 L CA 0.498 55.334 54.840 -0.007 0.000 0.883 257 L CB 0.249 42.304 42.059 -0.007 0.000 1.136 257 L HN 0.524 nan 8.230 nan 0.000 0.492 258 G N 1.499 110.292 108.800 -0.011 0.000 2.153 258 G HA2 -0.277 3.684 3.960 0.001 0.000 0.252 258 G HA3 -0.277 3.684 3.960 0.001 0.000 0.252 258 G C 0.071 174.967 174.900 -0.006 0.000 0.994 258 G CA 0.269 45.363 45.100 -0.009 0.000 0.698 258 G HN 0.302 nan 8.290 nan 0.000 0.521 259 I N 0.091 120.659 120.570 -0.005 0.000 2.569 259 I HA 0.365 4.536 4.170 0.001 0.000 0.296 259 I C -2.315 173.804 176.117 0.003 0.000 1.028 259 I CA -2.843 58.458 61.300 0.002 0.000 1.082 259 I CB 2.372 40.376 38.000 0.007 0.000 1.264 259 I HN -0.217 nan 8.210 nan 0.000 0.429 260 P HA 0.086 nan 4.420 nan 0.000 0.265 260 P C -1.025 176.290 177.300 0.025 0.000 1.193 260 P CA 0.123 63.231 63.100 0.014 0.000 0.765 260 P CB 0.608 32.321 31.700 0.021 0.000 0.823 261 A N 2.525 125.357 122.820 0.021 0.000 2.380 261 A HA 0.866 5.186 4.320 0.001 0.000 0.315 261 A C -0.939 176.689 177.584 0.072 0.000 1.101 261 A CA -0.468 51.591 52.037 0.037 0.000 0.771 261 A CB 1.695 20.699 19.000 0.006 0.000 1.287 261 A HN 0.516 nan 8.150 nan 0.000 0.436 262 A N -0.100 122.791 122.820 0.118 0.000 2.527 262 A HA 0.993 5.314 4.320 0.001 0.000 0.293 262 A C -0.428 177.288 177.584 0.220 0.000 1.117 262 A CA -0.083 52.072 52.037 0.196 0.000 0.723 262 A CB 1.543 20.726 19.000 0.304 0.000 1.313 262 A HN 2.566 nan 8.150 nan 0.000 0.411 263 A N -0.172 122.825 122.820 0.295 0.000 2.549 263 A HA 0.800 5.121 4.320 0.001 0.000 0.297 263 A C -0.624 177.230 177.584 0.450 0.000 1.061 263 A CA 0.025 52.268 52.037 0.343 0.000 0.690 263 A CB 1.505 20.709 19.000 0.341 0.000 1.287 263 A HN 1.812 nan 8.150 nan 0.000 0.402 264 S N 1.165 117.132 115.700 0.445 0.000 2.669 264 S HA 0.713 5.184 4.470 0.001 0.000 0.315 264 S C -1.533 173.347 174.600 0.467 0.000 1.106 264 S CA -0.269 58.195 58.200 0.439 0.000 1.107 264 S CB -0.244 63.123 63.200 0.278 0.000 0.990 264 S HN 0.453 nan 8.310 nan 0.000 0.471 265 F N 3.640 123.734 119.950 0.239 0.000 2.450 265 F HA 0.680 5.208 4.527 0.001 0.000 0.332 265 F C 0.532 176.452 175.800 0.200 0.000 1.093 265 F CA -0.676 57.451 58.000 0.212 0.000 1.003 265 F CB 1.596 40.719 39.000 0.205 0.000 1.151 265 F HN 0.301 nan 8.300 nan 0.000 0.474 266 K N 2.487 123.023 120.400 0.227 0.000 2.581 266 K HA 0.197 4.518 4.320 0.001 0.000 0.249 266 K C -0.824 175.889 176.600 0.188 0.000 0.966 266 K CA -0.514 55.882 56.287 0.183 0.000 0.811 266 K CB 0.941 33.560 32.500 0.198 0.000 1.223 266 K HN 0.705 nan 8.250 nan 0.000 0.438 267 H N 1.687 120.868 119.070 0.184 0.000 2.756 267 H HA -0.138 4.419 4.556 0.001 0.000 0.315 267 H C 0.137 175.557 175.328 0.152 0.000 1.210 267 H CA 1.020 57.160 56.048 0.154 0.000 1.150 267 H CB -1.417 28.416 29.762 0.119 0.000 1.463 267 H HN 0.582 nan 8.280 nan 0.000 0.427 268 V N -1.641 118.444 119.914 0.285 0.000 4.654 268 V HA -0.310 3.810 4.120 0.001 0.000 0.261 268 V C 0.661 176.901 176.094 0.244 0.000 0.471 268 V CA 1.610 64.125 62.300 0.359 0.000 0.802 268 V CB -1.896 30.091 31.823 0.274 0.000 0.768 268 V HN 0.606 nan 8.190 nan 0.000 1.286 269 S N 0.071 115.703 115.700 -0.112 0.000 2.556 269 S HA 0.696 5.167 4.470 0.001 0.000 0.271 269 S C -2.815 171.152 174.600 -1.055 0.000 1.135 269 S CA -0.896 57.050 58.200 -0.422 0.000 0.858 269 S CB 3.313 66.447 63.200 -0.111 0.000 1.114 269 S HN 0.280 nan 8.310 nan 0.000 0.468 270 P HA 0.306 nan 4.420 nan 0.000 0.280 270 P C -0.147 177.015 177.300 -0.229 0.000 1.244 270 P CA -0.256 62.391 63.100 -0.756 0.000 0.784 270 P CB 1.157 32.685 31.700 -0.287 0.000 0.913 271 A N 3.216 125.999 122.820 -0.062 0.000 1.984 271 A HA 0.418 4.739 4.320 0.001 0.000 0.214 271 A C 1.092 178.707 177.584 0.052 0.000 1.173 271 A CA 1.367 53.427 52.037 0.038 0.000 0.673 271 A CB -0.598 18.467 19.000 0.108 0.000 0.830 271 A HN 0.672 nan 8.150 nan 0.000 0.453 272 G N -2.690 106.152 108.800 0.070 0.000 2.646 272 G HA2 0.676 4.637 3.960 0.001 0.000 0.291 272 G HA3 0.676 4.637 3.960 0.001 0.000 0.291 272 G C -1.312 173.656 174.900 0.114 0.000 1.445 272 G CA 0.125 45.266 45.100 0.069 0.000 0.814 272 G HN 1.214 nan 8.290 nan 0.000 0.495 273 A N -0.916 121.958 122.820 0.090 0.000 2.577 273 A HA 1.080 5.400 4.320 0.001 0.000 0.297 273 A C -0.439 177.189 177.584 0.074 0.000 1.060 273 A CA 0.304 52.413 52.037 0.120 0.000 0.697 273 A CB 1.331 20.420 19.000 0.149 0.000 1.281 273 A HN 2.603 nan 8.150 nan 0.000 0.402 274 A N 0.376 123.244 122.820 0.081 0.000 2.586 274 A HA 0.820 5.140 4.320 0.001 0.000 0.290 274 A C -0.668 176.951 177.584 0.059 0.000 1.086 274 A CA 0.043 52.114 52.037 0.056 0.000 0.665 274 A CB 0.508 19.539 19.000 0.053 0.000 1.279 274 A HN 2.238 nan 8.150 nan 0.000 0.423 275 V N -1.132 118.808 119.914 0.043 0.000 2.713 275 V HA 0.791 4.912 4.120 0.001 0.000 0.307 275 V C 0.954 177.078 176.094 0.049 0.000 1.052 275 V CA -0.053 62.270 62.300 0.039 0.000 0.967 275 V CB 1.368 33.203 31.823 0.021 0.000 1.019 275 V HN 1.749 nan 8.190 nan 0.000 0.459 276 G N 2.662 111.491 108.800 0.049 0.000 3.180 276 G HA2 0.274 4.234 3.960 0.001 0.000 0.252 276 G HA3 0.274 4.234 3.960 0.001 0.000 0.252 276 G C 0.143 175.073 174.900 0.050 0.000 0.871 276 G CA -0.249 44.883 45.100 0.055 0.000 1.979 276 G HN 0.646 nan 8.290 nan 0.000 0.624 277 I N 1.053 121.658 120.570 0.057 0.000 2.556 277 I HA 0.099 4.270 4.170 0.001 0.000 0.284 277 I C -1.750 174.412 176.117 0.075 0.000 1.114 277 I CA -1.827 59.508 61.300 0.059 0.000 1.418 277 I CB 1.335 39.372 38.000 0.062 0.000 1.394 277 I HN 0.090 nan 8.210 nan 0.000 0.552 278 P HA -0.029 nan 4.420 nan 0.000 0.261 278 P C -0.835 176.539 177.300 0.123 0.000 1.173 278 P CA -0.105 63.036 63.100 0.069 0.000 0.760 278 P CB 0.239 31.971 31.700 0.054 0.000 0.783 279 L N 2.847 124.159 121.223 0.148 0.000 2.349 279 L HA 0.219 4.560 4.340 0.001 0.000 0.275 279 L C 1.096 178.174 176.870 0.346 0.000 1.115 279 L CA 0.383 55.370 54.840 0.244 0.000 0.820 279 L CB 0.167 42.391 42.059 0.274 0.000 1.135 279 L HN 0.391 nan 8.230 nan 0.000 0.445 280 S N 1.267 117.146 115.700 0.298 0.000 2.624 280 S HA 0.221 4.692 4.470 0.001 0.000 0.263 280 S C 0.923 175.662 174.600 0.231 0.000 1.287 280 S CA -0.545 57.813 58.200 0.264 0.000 0.990 280 S CB 0.634 63.950 63.200 0.193 0.000 0.950 280 S HN 0.655 nan 8.310 nan 0.000 0.561 281 E N 0.575 120.797 120.200 0.037 0.000 2.118 281 E HA -0.181 4.169 4.350 0.001 0.000 0.195 281 E C 1.222 177.731 176.600 -0.151 0.000 0.992 281 E CA 1.563 57.846 56.400 -0.194 0.000 0.804 281 E CB -0.145 29.416 29.700 -0.231 0.000 0.741 281 E HN 0.651 nan 8.360 nan 0.000 0.458 282 D N 0.544 120.890 120.400 -0.090 0.000 2.144 282 D HA -0.133 4.508 4.640 0.001 0.000 0.200 282 D C 1.740 177.984 176.300 -0.094 0.000 0.978 282 D CA 0.897 54.822 54.000 -0.125 0.000 0.833 282 D CB -0.064 40.708 40.800 -0.047 0.000 0.961 282 D HN 0.279 nan 8.370 nan 0.000 0.470 283 E N 0.913 121.148 120.200 0.058 0.000 2.077 283 E HA -0.120 4.231 4.350 0.001 0.000 0.193 283 E C 2.156 178.822 176.600 0.109 0.000 0.989 283 E CA 0.836 57.307 56.400 0.119 0.000 0.800 283 E CB -0.035 29.833 29.700 0.279 0.000 0.746 283 E HN 0.152 nan 8.360 nan 0.000 0.452 284 A N 1.751 124.679 122.820 0.180 0.000 1.978 284 A HA -0.243 4.078 4.320 0.001 0.000 0.220 284 A C 1.931 179.609 177.584 0.157 0.000 1.170 284 A CA 1.496 53.687 52.037 0.257 0.000 0.636 284 A CB -0.277 19.023 19.000 0.501 0.000 0.810 284 A HN 0.072 nan 8.150 nan 0.000 0.448 285 K N -0.632 119.769 120.400 0.001 0.000 2.031 285 K HA -0.014 4.307 4.320 0.001 0.000 0.205 285 K C 1.840 178.389 176.600 -0.086 0.000 1.049 285 K CA 1.264 57.498 56.287 -0.089 0.000 0.939 285 K CB -0.383 31.947 32.500 -0.284 0.000 0.717 285 K HN 0.281 nan 8.250 nan 0.000 0.438 286 V N 1.249 121.067 119.914 -0.160 0.000 2.490 286 V HA -0.261 3.860 4.120 0.001 0.000 0.250 286 V C 2.119 178.194 176.094 -0.032 0.000 1.061 286 V CA 1.427 63.610 62.300 -0.194 0.000 1.064 286 V CB -0.425 31.101 31.823 -0.494 0.000 0.670 286 V HN 0.419 nan 8.190 nan 0.000 0.461 287 C N -0.915 118.409 119.300 0.041 0.000 2.562 287 C HA 0.253 4.714 4.460 0.001 0.000 0.266 287 C C 1.516 176.555 174.990 0.081 0.000 1.382 287 C CA -0.156 58.919 59.018 0.095 0.000 1.742 287 C CB -1.314 26.503 27.740 0.129 0.000 1.812 287 C HN 0.676 nan 8.230 nan 0.000 0.559 288 M N -0.664 118.978 119.600 0.069 0.000 2.427 288 M HA -0.155 4.326 4.480 0.001 0.000 0.204 288 M C 0.434 176.798 176.300 0.106 0.000 0.413 288 M CA 0.609 55.954 55.300 0.076 0.000 0.507 288 M CB -1.576 31.059 32.600 0.059 0.000 1.823 288 M HN 0.408 nan 8.290 nan 0.000 0.859 289 V N -3.929 116.074 119.914 0.148 0.000 3.111 289 V HA 0.120 4.241 4.120 0.001 0.000 0.343 289 V C 1.032 177.253 176.094 0.212 0.000 1.417 289 V CA -0.048 62.344 62.300 0.153 0.000 1.142 289 V CB -0.319 31.589 31.823 0.141 0.000 1.114 289 V HN 0.489 nan 8.190 nan 0.000 0.520 290 Y N 3.788 124.142 120.300 0.089 0.000 2.207 290 Y HA -0.207 4.344 4.550 0.001 0.000 0.287 290 Y C 2.205 178.168 175.900 0.104 0.000 1.156 290 Y CA 2.338 60.491 58.100 0.088 0.000 1.182 290 Y CB -0.052 38.404 38.460 -0.005 0.000 0.979 290 Y HN 0.641 nan 8.280 nan 0.000 0.521 291 D N -0.588 119.831 120.400 0.032 0.000 2.378 291 D HA -0.162 4.479 4.640 0.001 0.000 0.222 291 D C 1.180 177.456 176.300 -0.040 0.000 0.980 291 D CA 1.065 55.034 54.000 -0.051 0.000 0.907 291 D CB -0.398 40.410 40.800 0.014 0.000 0.899 291 D HN 0.494 nan 8.370 nan 0.000 0.527 292 L N -0.999 120.230 121.223 0.010 0.000 2.906 292 L HA 0.162 4.503 4.340 0.001 0.000 0.255 292 L C 1.494 178.379 176.870 0.024 0.000 1.166 292 L CA -0.576 54.274 54.840 0.016 0.000 0.977 292 L CB -0.142 41.938 42.059 0.034 0.000 1.313 292 L HN -0.180 nan 8.230 nan 0.000 0.549 293 Y N 2.630 122.864 120.300 -0.109 0.000 2.173 293 Y HA -0.431 4.120 4.550 0.001 0.000 0.282 293 Y C 2.571 178.440 175.900 -0.052 0.000 1.192 293 Y CA 2.662 60.713 58.100 -0.082 0.000 1.176 293 Y CB -0.055 38.290 38.460 -0.192 0.000 0.969 293 Y HN 0.231 nan 8.280 nan 0.000 0.519 294 K N -0.686 119.700 120.400 -0.023 0.000 2.288 294 K HA -0.015 4.306 4.320 0.001 0.000 0.201 294 K C 1.704 178.253 176.600 -0.084 0.000 1.048 294 K CA 1.562 57.815 56.287 -0.056 0.000 0.956 294 K CB -1.464 31.034 32.500 -0.005 0.000 0.746 294 K HN 0.594 nan 8.250 nan 0.000 0.461 295 T N -1.563 112.947 114.554 -0.073 0.000 3.069 295 T HA 0.355 4.706 4.350 0.001 0.000 0.252 295 T C 0.584 175.248 174.700 -0.060 0.000 1.053 295 T CA -0.522 61.547 62.100 -0.053 0.000 0.964 295 T CB -0.592 68.261 68.868 -0.025 0.000 1.005 295 T HN 0.264 nan 8.240 nan 0.000 0.532 296 L N 3.530 124.688 121.223 -0.107 0.000 2.490 296 L HA 0.334 4.674 4.340 0.001 0.000 0.274 296 L C 0.992 177.821 176.870 -0.068 0.000 1.201 296 L CA -0.203 54.584 54.840 -0.089 0.000 0.869 296 L CB 0.312 42.279 42.059 -0.154 0.000 1.123 296 L HN 0.387 nan 8.230 nan 0.000 0.484 297 T N -0.542 113.997 114.554 -0.024 0.000 2.940 297 T HA 0.424 4.775 4.350 0.001 0.000 0.288 297 T C -2.112 172.592 174.700 0.007 0.000 1.045 297 T CA -1.943 60.151 62.100 -0.011 0.000 1.018 297 T CB 1.964 70.832 68.868 0.000 0.000 1.151 297 T HN 0.206 nan 8.240 nan 0.000 0.529 298 P HA -0.050 nan 4.420 nan 0.000 0.215 298 P C 1.579 178.904 177.300 0.043 0.000 1.157 298 P CA 0.408 63.522 63.100 0.024 0.000 0.868 298 P CB -0.064 31.646 31.700 0.018 0.000 0.788 299 I N -0.148 120.447 120.570 0.042 0.000 2.286 299 I HA -0.218 3.953 4.170 0.001 0.000 0.248 299 I C 1.907 178.084 176.117 0.099 0.000 1.115 299 I CA 1.787 63.123 61.300 0.061 0.000 1.392 299 I CB -0.924 37.100 38.000 0.040 0.000 1.065 299 I HN -0.078 nan 8.210 nan 0.000 0.418 300 S N 0.620 116.372 115.700 0.087 0.000 2.406 300 S HA 0.008 4.478 4.470 0.001 0.000 0.228 300 S C 2.204 176.885 174.600 0.135 0.000 1.020 300 S CA 0.639 58.915 58.200 0.127 0.000 0.965 300 S CB -0.965 62.288 63.200 0.088 0.000 0.798 300 S HN 0.479 nan 8.310 nan 0.000 0.488 301 A N 2.230 125.105 122.820 0.092 0.000 1.898 301 A HA 0.332 4.652 4.320 0.001 0.000 0.216 301 A C 2.520 180.168 177.584 0.106 0.000 1.181 301 A CA 1.570 53.661 52.037 0.090 0.000 0.620 301 A CB -1.434 17.605 19.000 0.065 0.000 0.819 301 A HN 0.756 nan 8.150 nan 0.000 0.442 302 A N -1.376 121.511 122.820 0.111 0.000 1.883 302 A HA -0.148 4.172 4.320 0.001 0.000 0.217 302 A C 2.180 179.855 177.584 0.151 0.000 1.186 302 A CA 1.786 53.894 52.037 0.117 0.000 0.624 302 A CB -0.859 18.207 19.000 0.110 0.000 0.822 302 A HN 0.705 nan 8.150 nan 0.000 0.444 303 Y N 0.598 120.947 120.300 0.081 0.000 2.200 303 Y HA -0.022 4.529 4.550 0.001 0.000 0.290 303 Y C 2.666 178.632 175.900 0.110 0.000 1.137 303 Y CA 0.888 59.045 58.100 0.095 0.000 1.163 303 Y CB -0.672 37.839 38.460 0.085 0.000 0.988 303 Y HN 0.310 nan 8.280 nan 0.000 0.518 304 A N 0.567 123.378 122.820 -0.016 0.000 1.908 304 A HA -0.232 4.088 4.320 0.001 0.000 0.218 304 A C 2.342 179.904 177.584 -0.036 0.000 1.181 304 A CA 2.017 54.025 52.037 -0.049 0.000 0.627 304 A CB -0.601 18.447 19.000 0.080 0.000 0.818 304 A HN 0.537 nan 8.150 nan 0.000 0.445 305 R N -0.828 119.690 120.500 0.029 0.000 2.090 305 R HA 0.027 4.367 4.340 0.001 0.000 0.228 305 R C 2.499 178.817 176.300 0.029 0.000 1.110 305 R CA 0.998 57.147 56.100 0.083 0.000 0.973 305 R CB -0.386 29.977 30.300 0.104 0.000 0.869 305 R HN 0.520 nan 8.270 nan 0.000 0.440 306 A N 1.164 123.962 122.820 -0.037 0.000 1.873 306 A HA -0.162 4.159 4.320 0.001 0.000 0.215 306 A C 2.100 179.640 177.584 -0.073 0.000 1.186 306 A CA 1.186 53.209 52.037 -0.023 0.000 0.616 306 A CB -0.401 18.627 19.000 0.047 0.000 0.823 306 A HN 0.174 nan 8.150 nan 0.000 0.442 307 R N -0.612 119.713 120.500 -0.292 0.000 2.235 307 R HA -0.048 4.292 4.340 0.001 0.000 0.213 307 R C 1.906 178.196 176.300 -0.017 0.000 1.059 307 R CA 0.960 56.939 56.100 -0.201 0.000 0.997 307 R CB -0.355 29.685 30.300 -0.432 0.000 0.884 307 R HN 0.486 nan 8.270 nan 0.000 0.462 308 G N -0.648 108.167 108.800 0.026 0.000 2.712 308 G HA2 -0.073 3.888 3.960 0.001 0.000 0.212 308 G HA3 -0.073 3.888 3.960 0.001 0.000 0.212 308 G C 1.329 176.404 174.900 0.291 0.000 1.142 308 G CA 0.435 45.633 45.100 0.162 0.000 0.789 308 G HN 0.363 nan 8.290 nan 0.000 0.535 309 A N 0.001 122.945 122.820 0.206 0.000 1.902 309 A HA 0.049 4.370 4.320 0.001 0.000 0.217 309 A C 1.120 178.876 177.584 0.287 0.000 1.181 309 A CA 1.621 53.779 52.037 0.201 0.000 0.623 309 A CB 0.044 19.061 19.000 0.029 0.000 0.818 309 A HN 0.273 nan 8.150 nan 0.000 0.443 310 D N -2.233 118.293 120.400 0.211 0.000 2.337 310 D HA 0.254 4.895 4.640 0.001 0.000 0.238 310 D C 0.717 177.121 176.300 0.174 0.000 1.331 310 D CA -0.426 53.696 54.000 0.203 0.000 0.967 310 D CB 0.324 41.227 40.800 0.172 0.000 1.382 310 D HN 0.183 nan 8.370 nan 0.000 0.549 311 R N 1.795 122.399 120.500 0.173 0.000 2.127 311 R HA -0.074 4.267 4.340 0.001 0.000 0.238 311 R C 1.913 178.320 176.300 0.178 0.000 1.134 311 R CA 1.274 57.471 56.100 0.161 0.000 0.975 311 R CB 0.142 30.528 30.300 0.143 0.000 0.865 311 R HN 0.455 nan 8.270 nan 0.000 0.447 312 M N -0.346 119.345 119.600 0.151 0.000 2.156 312 M HA -0.084 4.397 4.480 0.001 0.000 0.264 312 M C 2.099 178.506 176.300 0.177 0.000 1.067 312 M CA 1.419 56.800 55.300 0.135 0.000 1.131 312 M CB 0.044 32.688 32.600 0.072 0.000 1.368 312 M HN 0.022 nan 8.290 nan 0.000 0.416 313 S N -0.090 115.711 115.700 0.168 0.000 2.447 313 S HA -0.042 4.429 4.470 0.001 0.000 0.233 313 S C 1.832 176.562 174.600 0.218 0.000 1.006 313 S CA 0.932 59.241 58.200 0.181 0.000 0.957 313 S CB -0.107 63.181 63.200 0.148 0.000 0.773 313 S HN 0.352 nan 8.310 nan 0.000 0.507 314 S N 0.831 116.663 115.700 0.219 0.000 2.593 314 S HA 0.239 4.709 4.470 0.001 0.000 0.217 314 S C 0.263 175.014 174.600 0.251 0.000 0.966 314 S CA -0.349 57.984 58.200 0.221 0.000 0.914 314 S CB -0.203 63.103 63.200 0.177 0.000 0.776 314 S HN 0.550 nan 8.310 nan 0.000 0.523 315 F N 2.753 122.778 119.950 0.126 0.000 2.533 315 F HA 0.421 4.949 4.527 0.001 0.000 0.378 315 F C 1.176 177.052 175.800 0.127 0.000 1.070 315 F CA 0.421 58.491 58.000 0.117 0.000 1.172 315 F CB -0.175 38.885 39.000 0.101 0.000 1.085 315 F HN 0.222 nan 8.300 nan 0.000 0.552 316 G N 4.077 112.716 108.800 -0.269 0.000 2.182 316 G HA2 -0.270 3.691 3.960 0.001 0.000 0.248 316 G HA3 -0.270 3.691 3.960 0.001 0.000 0.248 316 G C -0.301 174.642 174.900 0.071 0.000 1.042 316 G CA 0.066 45.090 45.100 -0.128 0.000 0.775 316 G HN 1.041 nan 8.290 nan 0.000 0.501 317 D N -0.771 119.701 120.400 0.120 0.000 2.377 317 D HA 0.549 5.190 4.640 0.001 0.000 0.245 317 D C -0.118 176.303 176.300 0.201 0.000 1.196 317 D CA -0.915 53.211 54.000 0.210 0.000 0.962 317 D CB 0.796 41.753 40.800 0.262 0.000 1.127 317 D HN 0.113 nan 8.370 nan 0.000 0.471 318 F N 0.225 120.283 119.950 0.180 0.000 2.444 318 F HA 0.376 4.903 4.527 0.001 0.000 0.342 318 F C -0.676 175.224 175.800 0.165 0.000 1.121 318 F CA -0.856 57.214 58.000 0.117 0.000 0.997 318 F CB 1.503 40.543 39.000 0.068 0.000 1.130 318 F HN 0.112 nan 8.300 nan 0.000 0.454 319 V N 4.952 124.875 119.914 0.015 0.000 2.539 319 V HA 0.800 4.921 4.120 0.001 0.000 0.292 319 V C -0.115 176.097 176.094 0.197 0.000 1.045 319 V CA -0.627 61.751 62.300 0.130 0.000 0.945 319 V CB 1.196 32.944 31.823 -0.125 0.000 0.993 319 V HN 0.920 nan 8.190 nan 0.000 0.464 320 A N 5.352 128.298 122.820 0.211 0.000 2.371 320 A HA 0.914 5.235 4.320 0.001 0.000 0.311 320 A C -1.146 176.538 177.584 0.167 0.000 1.068 320 A CA -0.534 51.623 52.037 0.199 0.000 0.744 320 A CB 1.137 20.221 19.000 0.141 0.000 1.239 320 A HN 0.756 nan 8.150 nan 0.000 0.435 321 L N 2.037 123.361 121.223 0.168 0.000 2.386 321 L HA 0.428 4.769 4.340 0.001 0.000 0.271 321 L C 1.322 178.292 176.870 0.166 0.000 0.993 321 L CA -0.486 54.424 54.840 0.117 0.000 0.819 321 L CB 2.407 44.486 42.059 0.033 0.000 1.294 321 L HN 0.891 nan 8.230 nan 0.000 0.414 322 S N -0.874 114.868 115.700 0.070 0.000 2.496 322 S HA 0.094 4.564 4.470 0.001 0.000 0.224 322 S C 0.198 174.837 174.600 0.066 0.000 0.996 322 S CA 0.233 58.440 58.200 0.011 0.000 0.927 322 S CB -0.096 63.060 63.200 -0.075 0.000 0.774 322 S HN 0.703 nan 8.310 nan 0.000 0.524 323 D N 0.196 120.623 120.400 0.045 0.000 2.477 323 D HA 0.525 5.166 4.640 0.001 0.000 0.234 323 D C -0.952 175.324 176.300 -0.041 0.000 1.048 323 D CA -0.670 53.338 54.000 0.014 0.000 0.959 323 D CB 1.820 42.623 40.800 0.006 0.000 1.408 323 D HN -0.039 nan 8.370 nan 0.000 0.496 324 V N 1.014 120.890 119.914 -0.064 0.000 2.681 324 V HA -0.119 4.002 4.120 0.001 0.000 0.306 324 V C 0.631 176.646 176.094 -0.131 0.000 1.077 324 V CA -0.211 62.010 62.300 -0.133 0.000 1.224 324 V CB 0.285 32.062 31.823 -0.077 0.000 0.879 324 V HN 0.729 nan 8.190 nan 0.000 0.494 325 C N 7.232 126.395 119.300 -0.228 0.000 2.627 325 C HA 0.393 4.853 4.460 0.001 0.000 0.404 325 C C 0.441 175.423 174.990 -0.014 0.000 1.340 325 C CA -0.688 58.266 59.018 -0.108 0.000 1.758 325 C CB -1.173 26.522 27.740 -0.075 0.000 2.501 325 C HN 1.054 nan 8.230 nan 0.000 0.588 326 D N 4.064 124.466 120.400 0.003 0.000 2.487 326 D HA 0.270 4.911 4.640 0.001 0.000 0.262 326 D C 0.960 177.275 176.300 0.025 0.000 1.130 326 D CA -0.749 53.260 54.000 0.016 0.000 1.038 326 D CB 0.484 41.289 40.800 0.009 0.000 1.142 326 D HN 0.255 nan 8.370 nan 0.000 0.575 327 V N -0.104 119.822 119.914 0.020 0.000 2.295 327 V HA -0.115 4.005 4.120 0.001 0.000 0.246 327 V C -0.897 175.206 176.094 0.015 0.000 1.049 327 V CA 1.823 64.132 62.300 0.016 0.000 1.024 327 V CB -1.657 30.172 31.823 0.009 0.000 0.648 327 V HN 0.554 nan 8.190 nan 0.000 0.447 328 P HA -0.112 nan 4.420 nan 0.000 0.216 328 P C 1.790 179.116 177.300 0.043 0.000 1.150 328 P CA 1.652 64.767 63.100 0.024 0.000 0.837 328 P CB -0.182 31.529 31.700 0.019 0.000 0.786 329 T N -0.723 113.857 114.554 0.043 0.000 2.777 329 T HA -0.085 4.266 4.350 0.001 0.000 0.266 329 T C 1.915 176.623 174.700 0.013 0.000 1.040 329 T CA 1.541 63.671 62.100 0.049 0.000 1.141 329 T CB -0.917 67.966 68.868 0.026 0.000 0.868 329 T HN 0.035 nan 8.240 nan 0.000 0.444 330 A N 1.582 124.406 122.820 0.006 0.000 1.933 330 A HA -0.095 4.226 4.320 0.001 0.000 0.218 330 A C 2.256 179.821 177.584 -0.031 0.000 1.175 330 A CA 1.580 53.605 52.037 -0.019 0.000 0.628 330 A CB -0.435 18.563 19.000 -0.003 0.000 0.814 330 A HN 0.420 nan 8.150 nan 0.000 0.444 331 K N -0.376 120.021 120.400 -0.005 0.000 2.057 331 K HA -0.044 4.277 4.320 0.001 0.000 0.207 331 K C 1.728 178.337 176.600 0.016 0.000 1.049 331 K CA 1.570 57.855 56.287 -0.003 0.000 0.931 331 K CB -0.313 32.192 32.500 0.008 0.000 0.714 331 K HN 0.552 nan 8.250 nan 0.000 0.440 332 I N 0.576 121.180 120.570 0.057 0.000 2.315 332 I HA -0.259 3.912 4.170 0.001 0.000 0.248 332 I C 2.071 178.255 176.117 0.111 0.000 1.117 332 I CA 1.209 62.575 61.300 0.110 0.000 1.404 332 I CB -0.202 37.920 38.000 0.202 0.000 1.071 332 I HN 0.146 nan 8.210 nan 0.000 0.419 333 I N -0.232 120.369 120.570 0.051 0.000 2.406 333 I HA -0.238 3.932 4.170 0.001 0.000 0.249 333 I C 2.761 178.809 176.117 -0.114 0.000 1.122 333 I CA 0.875 62.163 61.300 -0.020 0.000 1.431 333 I CB -0.267 37.644 38.000 -0.148 0.000 1.087 333 I HN 0.163 nan 8.210 nan 0.000 0.424 334 S N 1.686 117.310 115.700 -0.127 0.000 2.380 334 S HA -0.250 4.220 4.470 0.001 0.000 0.229 334 S C 2.046 176.578 174.600 -0.112 0.000 1.043 334 S CA 1.774 59.880 58.200 -0.158 0.000 1.038 334 S CB -0.267 62.868 63.200 -0.109 0.000 0.872 334 S HN 0.516 nan 8.310 nan 0.000 0.456 335 R N 0.044 120.513 120.500 -0.052 0.000 2.335 335 R HA 0.248 4.589 4.340 0.001 0.000 0.223 335 R C -0.333 175.962 176.300 -0.009 0.000 0.940 335 R CA 0.009 56.093 56.100 -0.027 0.000 1.086 335 R CB 0.019 30.317 30.300 -0.003 0.000 1.073 335 R HN 0.299 nan 8.270 nan 0.000 0.504 336 E N 0.899 121.088 120.200 -0.019 0.000 2.320 336 E HA 0.262 4.612 4.350 0.001 0.000 0.264 336 E C -0.832 175.731 176.600 -0.062 0.000 0.923 336 E CA -1.172 55.230 56.400 0.003 0.000 0.796 336 E CB 2.666 32.407 29.700 0.068 0.000 1.262 336 E HN -0.121 nan 8.360 nan 0.000 0.428 337 V N 1.616 121.464 119.914 -0.110 0.000 2.427 337 V HA 0.259 4.380 4.120 0.001 0.000 0.268 337 V C 0.312 176.278 176.094 -0.212 0.000 1.046 337 V CA 0.223 62.358 62.300 -0.276 0.000 0.970 337 V CB 0.762 32.150 31.823 -0.726 0.000 1.001 337 V HN 0.551 nan 8.190 nan 0.000 0.476 338 S N 2.687 118.328 115.700 -0.098 0.000 2.541 338 S HA 0.467 4.938 4.470 0.001 0.000 0.271 338 S C -0.044 174.641 174.600 0.142 0.000 1.133 338 S CA -0.656 57.568 58.200 0.039 0.000 0.876 338 S CB 2.085 65.353 63.200 0.114 0.000 1.105 338 S HN 0.704 nan 8.310 nan 0.000 0.470 339 D N 1.618 122.049 120.400 0.052 0.000 2.355 339 D HA 0.385 5.026 4.640 0.001 0.000 0.206 339 D C 0.797 176.861 176.300 -0.394 0.000 1.010 339 D CA 1.196 55.181 54.000 -0.026 0.000 0.875 339 D CB 0.735 41.563 40.800 0.046 0.000 0.966 339 D HN 0.780 nan 8.370 nan 0.000 0.512 340 G N -0.300 108.022 108.800 -0.797 0.000 2.349 340 G HA2 0.472 4.433 3.960 0.001 0.000 0.294 340 G HA3 0.472 4.433 3.960 0.001 0.000 0.294 340 G C -1.947 171.903 174.900 -1.749 0.000 1.380 340 G CA -0.712 43.427 45.100 -1.602 0.000 0.811 340 G HN 0.065 nan 8.290 nan 0.000 0.519 341 I N -0.465 119.327 120.570 -1.295 0.000 2.841 341 I HA 0.790 4.961 4.170 0.001 0.000 0.298 341 I C -1.760 174.375 176.117 0.029 0.000 1.304 341 I CA -1.231 59.759 61.300 -0.516 0.000 1.019 341 I CB 2.208 40.140 38.000 -0.114 0.000 1.282 341 I HN 0.723 nan 8.210 nan 0.000 0.432 342 I N 6.499 127.206 120.570 0.228 0.000 2.533 342 I HA 0.883 5.053 4.170 0.001 0.000 0.290 342 I C -1.155 175.022 176.117 0.100 0.000 1.056 342 I CA -0.122 61.293 61.300 0.192 0.000 1.057 342 I CB 1.652 39.745 38.000 0.155 0.000 1.240 342 I HN 0.772 nan 8.210 nan 0.000 0.423 343 A N 7.436 130.229 122.820 -0.046 0.000 2.599 343 A HA 0.727 5.047 4.320 0.001 0.000 0.290 343 A C -2.686 174.738 177.584 -0.267 0.000 1.101 343 A CA -0.871 51.077 52.037 -0.149 0.000 0.674 343 A CB 1.340 20.099 19.000 -0.401 0.000 1.277 343 A HN 0.481 nan 8.150 nan 0.000 0.419 344 P HA 0.217 nan 4.420 nan 0.000 0.236 344 P C 0.670 177.876 177.300 -0.157 0.000 1.177 344 P CA 1.479 64.504 63.100 -0.126 0.000 0.773 344 P CB 0.507 32.253 31.700 0.076 0.000 0.878 345 G N -1.361 107.254 108.800 -0.309 0.000 2.368 345 G HA2 0.472 4.432 3.960 0.001 0.000 0.293 345 G HA3 0.472 4.432 3.960 0.001 0.000 0.293 345 G C -2.364 172.204 174.900 -0.555 0.000 1.467 345 G CA -0.607 44.336 45.100 -0.262 0.000 0.804 345 G HN -0.109 nan 8.290 nan 0.000 0.535 346 Y N -0.201 120.090 120.300 -0.014 0.000 2.492 346 Y HA 0.553 5.104 4.550 0.001 0.000 0.346 346 Y C 0.306 176.200 175.900 -0.011 0.000 0.997 346 Y CA -0.859 57.233 58.100 -0.013 0.000 1.025 346 Y CB 2.282 40.730 38.460 -0.018 0.000 1.263 346 Y HN 0.583 nan 8.280 nan 0.000 0.454 347 E N 0.991 121.260 120.200 0.115 0.000 2.354 347 E HA 0.248 4.599 4.350 0.001 0.000 0.269 347 E C 1.093 177.740 176.600 0.078 0.000 1.036 347 E CA 0.618 57.059 56.400 0.069 0.000 0.876 347 E CB 1.004 30.729 29.700 0.041 0.000 1.009 347 E HN 0.903 nan 8.360 nan 0.000 0.416 348 E N 3.127 123.356 120.200 0.048 0.000 2.086 348 E HA -0.355 3.996 4.350 0.001 0.000 0.205 348 E C 1.753 178.366 176.600 0.022 0.000 1.027 348 E CA 2.269 58.689 56.400 0.032 0.000 0.830 348 E CB -0.686 29.025 29.700 0.018 0.000 0.751 348 E HN 0.782 nan 8.360 nan 0.000 0.456 349 E N -0.416 119.796 120.200 0.019 0.000 2.106 349 E HA 0.008 4.359 4.350 0.001 0.000 0.192 349 E C 2.380 178.987 176.600 0.012 0.000 0.984 349 E CA 0.888 57.293 56.400 0.009 0.000 0.806 349 E CB -0.264 29.439 29.700 0.006 0.000 0.750 349 E HN 0.516 nan 8.360 nan 0.000 0.458 350 A N 1.063 123.904 122.820 0.036 0.000 1.902 350 A HA -0.177 4.143 4.320 0.001 0.000 0.217 350 A C 2.115 179.720 177.584 0.035 0.000 1.181 350 A CA 1.254 53.323 52.037 0.053 0.000 0.623 350 A CB -0.624 18.441 19.000 0.109 0.000 0.818 350 A HN 0.384 nan 8.150 nan 0.000 0.443 351 L N -0.221 121.019 121.223 0.029 0.000 2.083 351 L HA -0.095 4.246 4.340 0.001 0.000 0.209 351 L C 2.472 179.301 176.870 -0.069 0.000 1.083 351 L CA 2.693 57.494 54.840 -0.065 0.000 0.752 351 L CB -1.065 40.957 42.059 -0.062 0.000 0.899 351 L HN 0.384 nan 8.230 nan 0.000 0.433 352 T N 0.003 114.534 114.554 -0.039 0.000 2.708 352 T HA -0.171 4.179 4.350 0.001 0.000 0.266 352 T C 1.974 176.643 174.700 -0.052 0.000 1.037 352 T CA 2.034 64.109 62.100 -0.041 0.000 1.146 352 T CB -0.310 68.542 68.868 -0.027 0.000 0.865 352 T HN 0.314 nan 8.240 nan 0.000 0.435 353 I N 0.818 121.358 120.570 -0.050 0.000 2.127 353 I HA -0.172 3.999 4.170 0.001 0.000 0.241 353 I C 2.362 178.412 176.117 -0.112 0.000 1.075 353 I CA 1.419 62.678 61.300 -0.068 0.000 1.334 353 I CB -0.541 37.426 38.000 -0.055 0.000 1.040 353 I HN 0.194 nan 8.210 nan 0.000 0.405 354 L N 0.022 121.176 121.223 -0.115 0.000 2.046 354 L HA -0.183 4.158 4.340 0.001 0.000 0.208 354 L C 2.626 179.434 176.870 -0.102 0.000 1.077 354 L CA 1.171 55.911 54.840 -0.167 0.000 0.747 354 L CB -0.583 41.430 42.059 -0.075 0.000 0.896 354 L HN 0.179 nan 8.230 nan 0.000 0.432 355 S N -0.521 115.140 115.700 -0.065 0.000 2.469 355 S HA -0.157 4.314 4.470 0.001 0.000 0.238 355 S C 1.875 176.456 174.600 -0.032 0.000 0.998 355 S CA 1.073 59.253 58.200 -0.033 0.000 0.957 355 S CB -0.091 63.076 63.200 -0.055 0.000 0.764 355 S HN 0.238 nan 8.310 nan 0.000 0.514 356 K N 1.539 121.900 120.400 -0.065 0.000 2.228 356 K HA 0.152 4.472 4.320 0.001 0.000 0.202 356 K C 0.501 177.058 176.600 -0.071 0.000 1.051 356 K CA 0.497 56.748 56.287 -0.061 0.000 0.960 356 K CB 0.058 32.517 32.500 -0.067 0.000 0.743 356 K HN 0.285 nan 8.250 nan 0.000 0.458 357 K N 1.283 121.603 120.400 -0.134 0.000 2.494 357 K HA -0.041 4.279 4.320 0.001 0.000 0.273 357 K C -0.278 176.307 176.600 -0.024 0.000 0.970 357 K CA 0.451 56.642 56.287 -0.160 0.000 0.963 357 K CB 0.191 32.410 32.500 -0.468 0.000 0.913 357 K HN -0.005 nan 8.250 nan 0.000 0.502 358 K N 2.597 122.987 120.400 -0.016 0.000 3.278 358 K HA -0.294 4.027 4.320 0.001 0.000 0.270 358 K C -0.798 175.814 176.600 0.020 0.000 0.955 358 K CA 0.617 56.919 56.287 0.024 0.000 0.723 358 K CB -1.447 31.099 32.500 0.076 0.000 1.382 358 K HN 0.805 nan 8.250 nan 0.000 0.461 359 N N -1.866 116.836 118.700 0.003 0.000 2.725 359 N HA -0.224 4.516 4.740 0.001 0.000 0.249 359 N C 0.648 176.160 175.510 0.003 0.000 1.103 359 N CA 1.657 54.708 53.050 0.002 0.000 0.707 359 N CB -1.506 36.986 38.487 0.008 0.000 1.043 359 N HN 0.929 nan 8.380 nan 0.000 0.553 360 G N -0.624 108.178 108.800 0.003 0.000 2.143 360 G HA2 -0.329 3.632 3.960 0.001 0.000 0.249 360 G HA3 -0.329 3.632 3.960 0.001 0.000 0.249 360 G C 0.547 175.455 174.900 0.015 0.000 0.981 360 G CA 0.446 45.548 45.100 0.004 0.000 0.665 360 G HN 0.495 nan 8.290 nan 0.000 0.528 361 N N -0.720 117.999 118.700 0.032 0.000 2.203 361 N HA 0.126 4.867 4.740 0.001 0.000 0.207 361 N C 0.393 175.928 175.510 0.041 0.000 1.130 361 N CA -0.367 52.698 53.050 0.024 0.000 0.861 361 N CB 0.294 38.791 38.487 0.017 0.000 1.005 361 N HN 0.497 nan 8.380 nan 0.000 0.507 362 Y N 1.984 122.239 120.300 -0.075 0.000 2.810 362 Y HA -0.102 4.448 4.550 0.001 0.000 0.332 362 Y C 0.570 176.404 175.900 -0.110 0.000 1.243 362 Y CA -0.501 57.538 58.100 -0.100 0.000 1.537 362 Y CB 0.337 38.724 38.460 -0.122 0.000 1.265 362 Y HN 0.066 nan 8.280 nan 0.000 0.572 363 C N 8.164 127.118 119.300 -0.578 0.000 2.520 363 C HA 0.503 4.963 4.460 0.001 0.000 0.369 363 C C -0.517 174.162 174.990 -0.518 0.000 1.244 363 C CA -0.666 58.101 59.018 -0.419 0.000 1.677 363 C CB -2.269 25.326 27.740 -0.241 0.000 2.324 363 C HN 0.585 nan 8.230 nan 0.000 0.557 364 V N 8.754 128.488 119.914 -0.301 0.000 2.357 364 V HA 0.447 4.568 4.120 0.001 0.000 0.284 364 V C 0.000 176.000 176.094 -0.158 0.000 1.018 364 V CA -0.243 61.888 62.300 -0.281 0.000 0.841 364 V CB 1.267 32.872 31.823 -0.364 0.000 0.991 364 V HN 0.738 nan 8.190 nan 0.000 0.437 365 L N 4.548 125.755 121.223 -0.026 0.000 2.346 365 L HA 0.646 4.987 4.340 0.001 0.000 0.274 365 L C -0.314 176.617 176.870 0.103 0.000 1.007 365 L CA -0.521 54.328 54.840 0.015 0.000 0.818 365 L CB 2.012 44.079 42.059 0.013 0.000 1.284 365 L HN 0.597 nan 8.230 nan 0.000 0.424 366 Q N 2.833 122.648 119.800 0.025 0.000 2.322 366 Q HA 0.541 4.881 4.340 0.001 0.000 0.265 366 Q C -1.136 174.740 176.000 -0.206 0.000 0.985 366 Q CA -0.808 54.992 55.803 -0.006 0.000 0.849 366 Q CB 1.988 30.755 28.738 0.048 0.000 1.274 366 Q HN 0.552 nan 8.270 nan 0.000 0.449 367 M N 3.656 123.023 119.600 -0.388 0.000 2.268 367 M HA 0.272 4.753 4.480 0.001 0.000 0.344 367 M C -1.206 174.835 176.300 -0.431 0.000 1.106 367 M CA -0.583 54.348 55.300 -0.615 0.000 1.010 367 M CB 1.510 33.299 32.600 -1.353 0.000 1.649 367 M HN 0.533 nan 8.290 nan 0.000 0.443 368 D N 3.356 123.596 120.400 -0.267 0.000 2.346 368 D HA 0.011 4.651 4.640 0.001 0.000 0.260 368 D C 0.547 176.888 176.300 0.069 0.000 1.252 368 D CA 0.393 54.350 54.000 -0.071 0.000 0.895 368 D CB 0.860 41.647 40.800 -0.021 0.000 1.097 368 D HN 0.619 nan 8.370 nan 0.000 0.489 369 Q N 2.032 121.915 119.800 0.139 0.000 2.181 369 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 369 Q C 1.690 177.836 176.000 0.243 0.000 0.980 369 Q CA 1.212 57.203 55.803 0.312 0.000 0.862 369 Q CB -0.051 28.825 28.738 0.230 0.000 0.905 369 Q HN 0.641 nan 8.270 nan 0.000 0.429 370 S N -1.181 114.616 115.700 0.162 0.000 2.562 370 S HA -0.062 4.409 4.470 0.001 0.000 0.221 370 S C 0.622 175.300 174.600 0.130 0.000 0.975 370 S CA -0.484 57.787 58.200 0.118 0.000 0.918 370 S CB -0.370 62.877 63.200 0.078 0.000 0.772 370 S HN 0.316 nan 8.310 nan 0.000 0.531 371 Y N 3.016 123.357 120.300 0.070 0.000 2.526 371 Y HA 0.415 4.966 4.550 0.001 0.000 0.330 371 Y C 0.031 175.979 175.900 0.079 0.000 1.156 371 Y CA 0.263 58.396 58.100 0.055 0.000 1.419 371 Y CB -0.015 38.464 38.460 0.030 0.000 1.250 371 Y HN 0.325 nan 8.280 nan 0.000 0.540 372 K N 7.711 127.668 120.400 -0.739 0.000 2.443 372 K HA 0.580 4.901 4.320 0.001 0.000 0.252 372 K C -3.051 173.066 176.600 -0.805 0.000 0.933 372 K CA -1.692 54.245 56.287 -0.584 0.000 0.792 372 K CB 0.635 32.985 32.500 -0.250 0.000 1.185 372 K HN 0.671 nan 8.250 nan 0.000 0.425 373 P HA 0.278 nan 4.420 nan 0.000 0.274 373 P C -1.045 176.171 177.300 -0.140 0.000 1.246 373 P CA -0.300 62.635 63.100 -0.276 0.000 0.795 373 P CB 0.596 32.265 31.700 -0.052 0.000 1.006 374 D N 0.781 121.146 120.400 -0.058 0.000 2.357 374 D HA 0.024 4.665 4.640 0.001 0.000 0.242 374 D C 1.390 177.681 176.300 -0.015 0.000 1.153 374 D CA -0.112 53.870 54.000 -0.030 0.000 0.918 374 D CB 0.859 41.659 40.800 -0.001 0.000 1.181 374 D HN 0.414 nan 8.370 nan 0.000 0.435 375 E N 0.149 120.341 120.200 -0.013 0.000 2.106 375 E HA -0.107 4.244 4.350 0.001 0.000 0.192 375 E C 0.691 177.297 176.600 0.011 0.000 0.984 375 E CA 0.556 56.954 56.400 -0.004 0.000 0.806 375 E CB 0.201 29.896 29.700 -0.007 0.000 0.750 375 E HN 0.362 nan 8.360 nan 0.000 0.458 376 N N 1.218 119.926 118.700 0.013 0.000 2.524 376 N HA 0.028 4.769 4.740 0.001 0.000 0.283 376 N C -0.971 174.557 175.510 0.030 0.000 1.142 376 N CA 0.122 53.185 53.050 0.022 0.000 0.984 376 N CB 0.927 39.425 38.487 0.018 0.000 1.155 376 N HN 0.049 nan 8.380 nan 0.000 0.467 377 E N 0.332 120.556 120.200 0.040 0.000 2.331 377 E HA 0.512 4.863 4.350 0.001 0.000 0.275 377 E C -1.457 175.176 176.600 0.054 0.000 0.895 377 E CA -0.932 55.496 56.400 0.046 0.000 0.753 377 E CB 1.624 31.359 29.700 0.058 0.000 1.216 377 E HN 0.097 nan 8.360 nan 0.000 0.434 378 V N 1.316 121.263 119.914 0.055 0.000 2.823 378 V HA 0.686 4.806 4.120 0.001 0.000 0.312 378 V C -0.373 175.776 176.094 0.093 0.000 1.072 378 V CA -0.991 61.354 62.300 0.075 0.000 0.937 378 V CB 1.683 33.544 31.823 0.062 0.000 1.013 378 V HN 0.852 nan 8.190 nan 0.000 0.430 379 R N 0.425 120.999 120.500 0.122 0.000 2.771 379 R HA 0.793 5.133 4.340 0.001 0.000 0.274 379 R C -1.210 175.189 176.300 0.166 0.000 0.987 379 R CA -0.612 55.566 56.100 0.130 0.000 0.908 379 R CB 1.907 32.270 30.300 0.105 0.000 1.213 379 R HN 0.514 nan 8.270 nan 0.000 0.468 380 T N 2.728 117.380 114.554 0.163 0.000 2.795 380 T HA 0.441 4.791 4.350 0.001 0.000 0.282 380 T C -1.107 173.635 174.700 0.069 0.000 0.980 380 T CA -0.578 61.591 62.100 0.115 0.000 1.012 380 T CB 1.036 69.989 68.868 0.142 0.000 0.936 380 T HN 0.411 nan 8.240 nan 0.000 0.457 381 L N 4.775 126.016 121.223 0.031 0.000 2.404 381 L HA 0.562 4.903 4.340 0.001 0.000 0.272 381 L C -0.241 176.713 176.870 0.139 0.000 0.980 381 L CA -0.785 54.102 54.840 0.079 0.000 0.836 381 L CB 0.666 42.766 42.059 0.068 0.000 1.238 381 L HN 0.696 nan 8.230 nan 0.000 0.408 382 F N 5.781 125.708 119.950 -0.038 0.000 3.048 382 F HA -0.137 4.391 4.527 0.002 0.000 0.269 382 F C 1.320 177.080 175.800 -0.067 0.000 0.960 382 F CA 1.612 59.587 58.000 -0.041 0.000 0.909 382 F CB -1.028 37.952 39.000 -0.034 0.000 0.837 382 F HN 1.069 nan 8.300 nan 0.000 0.768 383 G N -0.210 108.520 108.800 -0.115 0.000 2.205 383 G HA2 -0.320 3.640 3.960 0.001 0.000 0.261 383 G HA3 -0.320 3.640 3.960 0.001 0.000 0.261 383 G C 0.374 175.053 174.900 -0.369 0.000 0.980 383 G CA 0.269 45.227 45.100 -0.236 0.000 0.632 383 G HN 0.720 nan 8.290 nan 0.000 0.533 384 L N 0.821 121.859 121.223 -0.308 0.000 2.375 384 L HA 0.614 4.955 4.340 0.001 0.000 0.268 384 L C 0.259 176.847 176.870 -0.470 0.000 1.058 384 L CA -1.241 53.389 54.840 -0.350 0.000 0.803 384 L CB 1.129 43.131 42.059 -0.095 0.000 1.212 384 L HN 0.099 nan 8.230 nan 0.000 0.451 385 H N 2.715 121.812 119.070 0.044 0.000 2.481 385 H HA 0.448 5.005 4.556 0.001 0.000 0.333 385 H C -0.811 174.546 175.328 0.048 0.000 1.066 385 H CA -0.506 55.571 56.048 0.048 0.000 1.209 385 H CB 2.017 31.805 29.762 0.043 0.000 1.445 385 H HN 0.318 nan 8.280 nan 0.000 0.488 386 L N 2.350 123.662 121.223 0.148 0.000 2.298 386 L HA 0.269 4.609 4.340 0.001 0.000 0.284 386 L C 0.355 177.287 176.870 0.103 0.000 1.013 386 L CA -0.410 54.492 54.840 0.105 0.000 0.824 386 L CB 1.615 43.723 42.059 0.082 0.000 1.221 386 L HN 0.431 nan 8.230 nan 0.000 0.418 387 S N 3.887 119.639 115.700 0.086 0.000 2.532 387 S HA 0.784 5.254 4.470 0.001 0.000 0.301 387 S C -0.994 173.641 174.600 0.059 0.000 1.083 387 S CA -0.446 57.796 58.200 0.070 0.000 1.025 387 S CB 1.534 64.770 63.200 0.060 0.000 1.056 387 S HN 0.684 nan 8.310 nan 0.000 0.494 388 Q N 1.822 121.654 119.800 0.054 0.000 2.702 388 Q HA 0.398 4.739 4.340 0.001 0.000 0.289 388 Q C -1.692 174.333 176.000 0.041 0.000 0.923 388 Q CA -1.149 54.682 55.803 0.048 0.000 0.787 388 Q CB 0.919 29.692 28.738 0.058 0.000 1.476 388 Q HN 0.585 nan 8.270 nan 0.000 0.402 389 K N 1.696 122.115 120.400 0.032 0.000 2.326 389 K HA 0.202 4.522 4.320 0.001 0.000 0.275 389 K C -0.023 176.597 176.600 0.032 0.000 1.018 389 K CA -0.423 55.878 56.287 0.024 0.000 0.962 389 K CB 0.751 33.259 32.500 0.013 0.000 0.953 389 K HN 0.745 nan 8.250 nan 0.000 0.475 390 R N 2.260 122.780 120.500 0.034 0.000 2.801 390 R HA 0.018 4.358 4.340 0.001 0.000 0.273 390 R C -0.037 176.280 176.300 0.029 0.000 1.080 390 R CA -0.531 55.596 56.100 0.046 0.000 1.197 390 R CB 0.111 30.443 30.300 0.053 0.000 1.109 390 R HN 0.480 nan 8.270 nan 0.000 0.535 391 N N 1.088 119.805 118.700 0.028 0.000 2.508 391 N HA 0.010 4.750 4.740 0.001 0.000 0.253 391 N C -1.028 174.467 175.510 -0.024 0.000 1.145 391 N CA -0.106 52.935 53.050 -0.014 0.000 0.973 391 N CB 0.005 38.460 38.487 -0.052 0.000 1.305 391 N HN 0.483 nan 8.380 nan 0.000 0.506 392 N N 1.392 120.079 118.700 -0.022 0.000 2.376 392 N HA 0.124 4.864 4.740 0.001 0.000 0.249 392 N C 0.304 175.789 175.510 -0.042 0.000 1.140 392 N CA -0.163 52.874 53.050 -0.021 0.000 0.870 392 N CB 0.430 38.907 38.487 -0.017 0.000 1.124 392 N HN 0.484 nan 8.380 nan 0.000 0.505 393 G N 0.211 108.973 108.800 -0.064 0.000 2.305 393 G HA2 0.173 4.134 3.960 0.001 0.000 0.243 393 G HA3 0.173 4.134 3.960 0.001 0.000 0.243 393 G C 0.206 175.059 174.900 -0.078 0.000 1.288 393 G CA -0.053 44.998 45.100 -0.082 0.000 0.901 393 G HN 0.036 nan 8.290 nan 0.000 0.516 394 V N 3.004 122.869 119.914 -0.082 0.000 2.432 394 V HA 0.216 4.337 4.120 0.001 0.000 0.275 394 V C 0.247 176.281 176.094 -0.099 0.000 1.043 394 V CA -0.491 61.765 62.300 -0.074 0.000 0.925 394 V CB 1.597 33.380 31.823 -0.067 0.000 0.985 394 V HN 0.479 nan 8.190 nan 0.000 0.466 395 V N 5.974 125.850 119.914 -0.062 0.000 2.293 395 V HA 0.505 4.625 4.120 0.001 0.000 0.275 395 V C -0.419 175.682 176.094 0.012 0.000 1.021 395 V CA -0.422 61.849 62.300 -0.048 0.000 0.815 395 V CB 0.967 32.807 31.823 0.028 0.000 1.025 395 V HN 1.110 nan 8.190 nan 0.000 0.448 396 D N 3.541 123.932 120.400 -0.015 0.000 2.752 396 D HA 0.477 5.118 4.640 0.001 0.000 0.313 396 D C 0.995 177.366 176.300 0.118 0.000 1.225 396 D CA -0.125 53.906 54.000 0.052 0.000 0.976 396 D CB 1.457 42.257 40.800 0.000 0.000 1.443 396 D HN 0.136 nan 8.370 nan 0.000 0.515 397 K N -0.019 120.457 120.400 0.127 0.000 2.103 397 K HA -0.144 4.177 4.320 0.001 0.000 0.207 397 K C 2.019 178.688 176.600 0.115 0.000 1.048 397 K CA 2.399 58.789 56.287 0.172 0.000 0.930 397 K CB -1.310 31.238 32.500 0.080 0.000 0.716 397 K HN 0.432 nan 8.250 nan 0.000 0.444 398 S N 0.216 115.926 115.700 0.016 0.000 2.383 398 S HA -0.134 4.337 4.470 0.001 0.000 0.229 398 S C 2.052 176.586 174.600 -0.110 0.000 1.030 398 S CA 1.467 59.648 58.200 -0.033 0.000 1.002 398 S CB -0.357 62.816 63.200 -0.045 0.000 0.829 398 S HN 0.539 nan 8.310 nan 0.000 0.467 399 L N 0.451 121.523 121.223 -0.253 0.000 2.127 399 L HA 0.104 4.445 4.340 0.001 0.000 0.211 399 L C 1.022 177.552 176.870 -0.567 0.000 1.089 399 L CA 1.795 56.336 54.840 -0.498 0.000 0.757 399 L CB -0.625 40.949 42.059 -0.808 0.000 0.899 399 L HN 0.406 nan 8.230 nan 0.000 0.434 400 F N -1.284 118.647 119.950 -0.032 0.000 2.645 400 F HA 0.205 4.732 4.527 0.001 0.000 0.300 400 F C 2.139 177.925 175.800 -0.024 0.000 1.115 400 F CA 0.384 58.366 58.000 -0.030 0.000 1.355 400 F CB -0.961 38.015 39.000 -0.040 0.000 1.026 400 F HN 0.162 nan 8.300 nan 0.000 0.536 401 S N -1.209 114.530 115.700 0.066 0.000 2.562 401 S HA -0.061 4.410 4.470 0.001 0.000 0.221 401 S C 0.920 175.540 174.600 0.034 0.000 0.975 401 S CA 0.123 58.352 58.200 0.047 0.000 0.918 401 S CB -0.519 62.690 63.200 0.014 0.000 0.772 401 S HN 0.307 nan 8.310 nan 0.000 0.531 402 N N 1.921 120.642 118.700 0.034 0.000 3.301 402 N HA 0.250 4.990 4.740 0.001 0.000 0.289 402 N C -1.049 174.491 175.510 0.050 0.000 1.343 402 N CA -0.326 52.744 53.050 0.034 0.000 1.136 402 N CB 0.451 38.953 38.487 0.025 0.000 1.402 402 N HN 0.100 nan 8.380 nan 0.000 0.516 403 V N 2.254 122.194 119.914 0.043 0.000 2.470 403 V HA 0.022 4.143 4.120 0.001 0.000 0.276 403 V C 1.486 177.592 176.094 0.021 0.000 1.040 403 V CA -0.198 62.122 62.300 0.032 0.000 1.008 403 V CB 1.017 32.860 31.823 0.034 0.000 0.990 403 V HN 0.476 nan 8.190 nan 0.000 0.477 404 V N 1.703 121.620 119.914 0.005 0.000 3.621 404 V HA 0.177 4.298 4.120 0.001 0.000 0.285 404 V C 0.853 176.949 176.094 0.002 0.000 1.346 404 V CA 0.327 62.636 62.300 0.014 0.000 1.104 404 V CB -0.380 31.469 31.823 0.043 0.000 0.913 404 V HN 0.841 nan 8.190 nan 0.000 0.432 405 T N -2.017 112.532 114.554 -0.008 0.000 2.899 405 T HA 0.373 4.724 4.350 0.001 0.000 0.284 405 T C 0.837 175.538 174.700 0.002 0.000 1.004 405 T CA -0.465 61.631 62.100 -0.007 0.000 1.043 405 T CB 1.823 70.684 68.868 -0.013 0.000 1.013 405 T HN 0.251 nan 8.240 nan 0.000 0.518 406 K N 0.690 121.090 120.400 0.001 0.000 2.074 406 K HA -0.135 4.185 4.320 0.001 0.000 0.209 406 K C 1.012 177.615 176.600 0.004 0.000 1.048 406 K CA 1.175 57.464 56.287 0.003 0.000 0.926 406 K CB -0.258 32.242 32.500 0.001 0.000 0.713 406 K HN 0.566 nan 8.250 nan 0.000 0.444 407 N N 1.697 120.399 118.700 0.003 0.000 2.411 407 N HA -0.003 4.738 4.740 0.001 0.000 0.259 407 N C -0.329 175.191 175.510 0.017 0.000 1.103 407 N CA 0.384 53.439 53.050 0.009 0.000 0.954 407 N CB 0.809 39.299 38.487 0.006 0.000 1.085 407 N HN 0.015 nan 8.380 nan 0.000 0.485 408 K N 1.568 121.979 120.400 0.019 0.000 2.373 408 K HA 0.057 4.377 4.320 0.001 0.000 0.202 408 K C -0.541 176.075 176.600 0.026 0.000 1.025 408 K CA -0.245 56.056 56.287 0.023 0.000 1.115 408 K CB 0.473 32.984 32.500 0.017 0.000 0.858 408 K HN 0.457 nan 8.250 nan 0.000 0.525 409 D N 1.998 122.415 120.400 0.029 0.000 2.435 409 D HA 0.037 4.677 4.640 0.001 0.000 0.230 409 D C -1.197 175.124 176.300 0.036 0.000 1.215 409 D CA -0.276 53.740 54.000 0.026 0.000 0.947 409 D CB 0.314 41.129 40.800 0.024 0.000 1.048 409 D HN -0.113 nan 8.370 nan 0.000 0.512 410 L N 6.008 127.233 121.223 0.004 0.000 2.259 410 L HA 0.457 4.798 4.340 0.001 0.000 0.288 410 L C -2.169 174.632 176.870 -0.115 0.000 1.051 410 L CA -1.893 52.914 54.840 -0.054 0.000 0.824 410 L CB 0.786 42.806 42.059 -0.066 0.000 1.206 410 L HN 0.294 nan 8.230 nan 0.000 0.429 411 P HA 0.056 nan 4.420 nan 0.000 0.267 411 P C 0.402 177.589 177.300 -0.188 0.000 1.200 411 P CA -0.159 62.852 63.100 -0.149 0.000 0.772 411 P CB 0.617 32.229 31.700 -0.148 0.000 0.855 412 E N 0.992 121.119 120.200 -0.121 0.000 2.160 412 E HA -0.169 4.182 4.350 0.001 0.000 0.195 412 E C 1.831 178.344 176.600 -0.145 0.000 0.991 412 E CA 1.834 58.166 56.400 -0.113 0.000 0.810 412 E CB -0.558 29.102 29.700 -0.067 0.000 0.742 412 E HN 0.602 nan 8.360 nan 0.000 0.466 413 S N 0.613 116.221 115.700 -0.153 0.000 2.368 413 S HA -0.045 4.426 4.470 0.001 0.000 0.224 413 S C 2.230 176.677 174.600 -0.256 0.000 1.029 413 S CA 1.137 59.245 58.200 -0.154 0.000 0.988 413 S CB -0.144 62.992 63.200 -0.107 0.000 0.838 413 S HN 0.242 nan 8.310 nan 0.000 0.462 414 A N 1.888 124.443 122.820 -0.442 0.000 1.898 414 A HA 0.140 4.461 4.320 0.001 0.000 0.216 414 A C 2.227 179.514 177.584 -0.496 0.000 1.181 414 A CA 1.425 53.043 52.037 -0.699 0.000 0.620 414 A CB -0.956 17.158 19.000 -1.476 0.000 0.819 414 A HN 0.523 nan 8.150 nan 0.000 0.442 415 L N 0.331 121.314 121.223 -0.400 0.000 1.990 415 L HA -0.200 4.141 4.340 0.001 0.000 0.213 415 L C 2.437 179.116 176.870 -0.319 0.000 1.072 415 L CA 2.601 57.225 54.840 -0.360 0.000 0.755 415 L CB -0.836 41.101 42.059 -0.203 0.000 0.889 415 L HN 0.518 nan 8.230 nan 0.000 0.432 416 R N -0.527 119.844 120.500 -0.215 0.000 2.097 416 R HA -0.218 4.123 4.340 0.001 0.000 0.236 416 R C 1.976 178.181 176.300 -0.158 0.000 1.135 416 R CA 2.289 58.302 56.100 -0.146 0.000 0.934 416 R CB -0.606 29.632 30.300 -0.104 0.000 0.846 416 R HN 0.452 nan 8.270 nan 0.000 0.431 417 D N 0.577 120.871 120.400 -0.177 0.000 2.149 417 D HA -0.157 4.484 4.640 0.001 0.000 0.198 417 D C 2.053 178.244 176.300 -0.183 0.000 0.990 417 D CA 1.042 54.954 54.000 -0.147 0.000 0.839 417 D CB -0.178 40.546 40.800 -0.126 0.000 0.948 417 D HN 0.319 nan 8.370 nan 0.000 0.460 418 L N 0.333 121.365 121.223 -0.318 0.000 2.056 418 L HA -0.110 4.231 4.340 0.001 0.000 0.207 418 L C 2.522 179.192 176.870 -0.332 0.000 1.078 418 L CA 0.618 55.193 54.840 -0.442 0.000 0.749 418 L CB -0.196 41.327 42.059 -0.892 0.000 0.901 418 L HN 0.013 nan 8.230 nan 0.000 0.433 419 I N -1.027 119.375 120.570 -0.281 0.000 2.226 419 I HA -0.265 3.905 4.170 0.001 0.000 0.245 419 I C 2.415 178.551 176.117 0.031 0.000 1.100 419 I CA 0.992 62.300 61.300 0.014 0.000 1.374 419 I CB -0.132 37.888 38.000 0.034 0.000 1.057 419 I HN 0.020 nan 8.210 nan 0.000 0.413 420 V N 0.952 120.853 119.914 -0.023 0.000 2.343 420 V HA -0.293 3.828 4.120 0.001 0.000 0.247 420 V C 2.661 178.767 176.094 0.020 0.000 1.051 420 V CA 2.037 64.339 62.300 0.004 0.000 1.036 420 V CB -0.922 30.891 31.823 -0.017 0.000 0.654 420 V HN 0.498 nan 8.190 nan 0.000 0.451 421 A N -0.481 122.336 122.820 -0.006 0.000 1.930 421 A HA -0.184 4.136 4.320 0.001 0.000 0.217 421 A C 2.372 179.980 177.584 0.040 0.000 1.175 421 A CA 2.325 54.367 52.037 0.009 0.000 0.627 421 A CB -0.767 18.218 19.000 -0.023 0.000 0.815 421 A HN 0.517 nan 8.150 nan 0.000 0.443 422 T N 0.094 114.692 114.554 0.074 0.000 2.812 422 T HA 0.020 4.371 4.350 0.001 0.000 0.264 422 T C 1.784 176.520 174.700 0.060 0.000 1.042 422 T CA 1.268 63.427 62.100 0.098 0.000 1.140 422 T CB -0.306 68.703 68.868 0.235 0.000 0.870 422 T HN 0.408 nan 8.240 nan 0.000 0.445 423 I N 1.398 122.019 120.570 0.085 0.000 2.315 423 I HA -0.134 4.037 4.170 0.001 0.000 0.248 423 I C 2.915 179.123 176.117 0.152 0.000 1.117 423 I CA 0.850 62.214 61.300 0.106 0.000 1.404 423 I CB -0.467 37.609 38.000 0.127 0.000 1.071 423 I HN 0.192 nan 8.210 nan 0.000 0.419 424 A N 0.462 123.357 122.820 0.125 0.000 1.865 424 A HA -0.185 4.135 4.320 0.001 0.000 0.217 424 A C 2.459 180.104 177.584 0.101 0.000 1.191 424 A CA 1.799 53.920 52.037 0.139 0.000 0.623 424 A CB -1.104 17.949 19.000 0.089 0.000 0.826 424 A HN 0.221 nan 8.150 nan 0.000 0.444 425 V N 0.302 120.245 119.914 0.049 0.000 2.490 425 V HA -0.252 3.869 4.120 0.001 0.000 0.250 425 V C 2.547 178.613 176.094 -0.047 0.000 1.061 425 V CA 2.414 64.726 62.300 0.019 0.000 1.064 425 V CB -0.549 31.283 31.823 0.014 0.000 0.670 425 V HN 0.712 nan 8.190 nan 0.000 0.461 426 K N -0.894 119.426 120.400 -0.133 0.000 2.209 426 K HA -0.169 4.151 4.320 0.001 0.000 0.204 426 K C 1.041 177.219 176.600 -0.703 0.000 1.048 426 K CA 1.606 57.656 56.287 -0.396 0.000 0.940 426 K CB -0.068 32.132 32.500 -0.500 0.000 0.729 426 K HN 0.564 nan 8.250 nan 0.000 0.451 427 Y N 0.261 120.509 120.300 -0.086 0.000 2.720 427 Y HA 0.227 4.778 4.550 0.002 0.000 0.277 427 Y C -0.432 175.552 175.900 0.140 0.000 1.144 427 Y CA -0.300 57.755 58.100 -0.076 0.000 1.221 427 Y CB 0.948 39.486 38.460 0.129 0.000 1.163 427 Y HN -0.195 nan 8.280 nan 0.000 0.537 428 T N 1.395 116.059 114.554 0.183 0.000 2.797 428 T HA 0.246 4.597 4.350 0.001 0.000 0.279 428 T C -0.198 174.627 174.700 0.209 0.000 0.991 428 T CA -0.882 61.314 62.100 0.161 0.000 0.979 428 T CB 1.225 70.133 68.868 0.066 0.000 0.943 428 T HN -0.077 nan 8.240 nan 0.000 0.444 429 Q N 1.964 121.853 119.800 0.148 0.000 2.315 429 Q HA 0.178 4.519 4.340 0.001 0.000 0.289 429 Q C 0.249 176.220 176.000 -0.048 0.000 1.044 429 Q CA 0.283 56.096 55.803 0.017 0.000 0.920 429 Q CB 0.432 29.195 28.738 0.042 0.000 1.214 429 Q HN 0.603 nan 8.270 nan 0.000 0.392 430 S N 1.986 117.530 115.700 -0.260 0.000 2.592 430 S HA 0.140 4.611 4.470 0.001 0.000 0.271 430 S C 0.447 175.011 174.600 -0.059 0.000 1.326 430 S CA -0.610 57.458 58.200 -0.220 0.000 1.024 430 S CB 0.563 63.465 63.200 -0.496 0.000 0.921 430 S HN 0.486 nan 8.310 nan 0.000 0.527 431 N N 0.765 119.450 118.700 -0.025 0.000 2.441 431 N HA 0.131 4.872 4.740 0.001 0.000 0.251 431 N C -0.873 174.663 175.510 0.044 0.000 1.242 431 N CA 0.276 53.328 53.050 0.003 0.000 0.898 431 N CB 0.390 38.902 38.487 0.041 0.000 1.100 431 N HN 0.386 nan 8.380 nan 0.000 0.443 432 S N 0.968 116.713 115.700 0.075 0.000 2.547 432 S HA 0.519 4.990 4.470 0.001 0.000 0.281 432 S C -1.084 173.570 174.600 0.090 0.000 1.118 432 S CA -0.712 57.535 58.200 0.078 0.000 0.947 432 S CB 2.062 65.300 63.200 0.064 0.000 1.053 432 S HN 0.236 nan 8.310 nan 0.000 0.482 433 V N 1.639 121.619 119.914 0.110 0.000 2.808 433 V HA 0.603 4.723 4.120 0.001 0.000 0.308 433 V C -0.897 175.285 176.094 0.146 0.000 1.099 433 V CA -0.707 61.668 62.300 0.125 0.000 0.920 433 V CB 1.798 33.736 31.823 0.191 0.000 1.014 433 V HN 1.047 nan 8.190 nan 0.000 0.425 434 C N 5.515 124.876 119.300 0.101 0.000 2.482 434 C HA 0.789 5.249 4.460 0.001 0.000 0.317 434 C C -1.237 173.815 174.990 0.104 0.000 1.197 434 C CA -0.542 58.556 59.018 0.133 0.000 1.432 434 C CB 0.721 28.505 27.740 0.073 0.000 2.062 434 C HN 0.779 nan 8.230 nan 0.000 0.471 435 Y N 3.570 123.861 120.300 -0.015 0.000 2.330 435 Y HA 0.664 5.215 4.550 0.001 0.000 0.336 435 Y C 0.614 176.455 175.900 -0.097 0.000 1.036 435 Y CA -0.070 58.005 58.100 -0.042 0.000 1.125 435 Y CB 1.582 40.014 38.460 -0.047 0.000 1.194 435 Y HN 0.968 nan 8.280 nan 0.000 0.469 436 A N 3.768 126.605 122.820 0.027 0.000 2.475 436 A HA 0.864 5.185 4.320 0.001 0.000 0.301 436 A C -1.221 176.315 177.584 -0.079 0.000 1.059 436 A CA -0.866 51.134 52.037 -0.062 0.000 0.710 436 A CB 2.056 21.023 19.000 -0.056 0.000 1.288 436 A HN 0.694 nan 8.150 nan 0.000 0.408 437 K N 1.021 121.345 120.400 -0.128 0.000 2.568 437 K HA 0.388 4.709 4.320 0.001 0.000 0.273 437 K C -0.885 175.688 176.600 -0.045 0.000 0.951 437 K CA -0.611 55.627 56.287 -0.082 0.000 0.854 437 K CB 1.024 33.471 32.500 -0.088 0.000 1.424 437 K HN 0.668 nan 8.250 nan 0.000 0.427 438 N N 1.525 120.229 118.700 0.007 0.000 2.714 438 N HA -0.205 4.536 4.740 0.001 0.000 0.252 438 N C 0.352 175.881 175.510 0.031 0.000 1.014 438 N CA 1.750 54.828 53.050 0.046 0.000 0.735 438 N CB -1.347 37.216 38.487 0.126 0.000 0.924 438 N HN 1.043 nan 8.380 nan 0.000 0.540 439 G N -0.896 107.900 108.800 -0.006 0.000 2.168 439 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 439 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 439 G C -0.102 174.796 174.900 -0.003 0.000 0.997 439 G CA 1.138 46.235 45.100 -0.005 0.000 0.708 439 G HN 0.957 nan 8.290 nan 0.000 0.520 440 Q N -1.492 118.290 119.800 -0.031 0.000 2.456 440 Q HA 0.719 5.060 4.340 0.001 0.000 0.284 440 Q C -0.671 175.262 176.000 -0.112 0.000 1.061 440 Q CA -1.169 54.606 55.803 -0.046 0.000 0.799 440 Q CB 1.991 30.712 28.738 -0.028 0.000 1.445 440 Q HN 0.337 nan 8.270 nan 0.000 0.411 441 V N 3.256 123.116 119.914 -0.090 0.000 2.572 441 V HA 0.083 4.204 4.120 0.001 0.000 0.291 441 V C 0.897 176.837 176.094 -0.257 0.000 1.039 441 V CA 0.370 62.607 62.300 -0.105 0.000 1.055 441 V CB 0.502 32.307 31.823 -0.030 0.000 0.969 441 V HN 0.823 nan 8.190 nan 0.000 0.482 442 I N 1.616 121.988 120.570 -0.329 0.000 4.227 442 I HA 0.674 4.845 4.170 0.001 0.000 0.334 442 I C 0.712 176.691 176.117 -0.230 0.000 1.341 442 I CA 0.103 61.033 61.300 -0.617 0.000 1.123 442 I CB 0.876 38.228 38.000 -1.079 0.000 1.097 442 I HN 0.614 nan 8.210 nan 0.000 0.399 443 G N 2.248 111.000 108.800 -0.081 0.000 2.596 443 G HA2 0.578 4.539 3.960 0.001 0.000 0.300 443 G HA3 0.578 4.539 3.960 0.001 0.000 0.300 443 G C -1.885 173.060 174.900 0.076 0.000 1.370 443 G CA -0.325 44.758 45.100 -0.027 0.000 1.170 443 G HN 0.159 nan 8.290 nan 0.000 0.594 444 I N 1.812 122.425 120.570 0.072 0.000 2.619 444 I HA 0.793 4.963 4.170 0.001 0.000 0.292 444 I C 0.121 176.291 176.117 0.089 0.000 1.100 444 I CA -0.893 60.465 61.300 0.097 0.000 1.043 444 I CB 2.173 40.210 38.000 0.062 0.000 1.239 444 I HN 0.647 nan 8.210 nan 0.000 0.420 445 G N 5.529 114.394 108.800 0.107 0.000 2.416 445 G HA2 0.790 4.751 3.960 0.001 0.000 0.324 445 G HA3 0.790 4.751 3.960 0.001 0.000 0.324 445 G C -1.356 173.590 174.900 0.078 0.000 1.194 445 G CA -0.412 44.744 45.100 0.094 0.000 0.922 445 G HN 0.825 nan 8.290 nan 0.000 0.467 446 A N 0.866 123.724 122.820 0.063 0.000 2.413 446 A HA 0.845 5.166 4.320 0.001 0.000 0.307 446 A C 0.992 178.606 177.584 0.050 0.000 1.087 446 A CA 0.143 52.212 52.037 0.052 0.000 0.750 446 A CB 1.285 20.311 19.000 0.043 0.000 1.296 446 A HN 2.465 nan 8.150 nan 0.000 0.423 447 G N 0.248 109.076 108.800 0.045 0.000 2.187 447 G HA2 -0.216 3.745 3.960 0.001 0.000 0.261 447 G HA3 -0.216 3.745 3.960 0.001 0.000 0.261 447 G C 0.235 175.165 174.900 0.049 0.000 1.000 447 G CA 0.788 45.920 45.100 0.053 0.000 0.718 447 G HN 0.791 nan 8.290 nan 0.000 0.519 448 Q N -0.818 119.013 119.800 0.052 0.000 2.396 448 Q HA 0.442 4.783 4.340 0.001 0.000 0.221 448 Q C 1.274 177.302 176.000 0.047 0.000 1.025 448 Q CA 0.025 55.865 55.803 0.063 0.000 0.946 448 Q CB 0.440 29.233 28.738 0.091 0.000 1.224 448 Q HN 0.643 nan 8.270 nan 0.000 0.539 449 Q N -0.481 119.355 119.800 0.060 0.000 2.171 449 Q HA 0.230 4.571 4.340 0.001 0.000 0.218 449 Q C -0.276 175.739 176.000 0.026 0.000 0.822 449 Q CA -0.077 55.745 55.803 0.031 0.000 0.987 449 Q CB 1.238 29.994 28.738 0.029 0.000 1.144 449 Q HN 0.430 nan 8.270 nan 0.000 0.494 450 S N -0.409 115.318 115.700 0.046 0.000 2.548 450 S HA 0.411 4.881 4.470 0.001 0.000 0.276 450 S C -0.046 174.571 174.600 0.028 0.000 1.129 450 S CA -0.601 57.587 58.200 -0.019 0.000 0.931 450 S CB 1.775 64.859 63.200 -0.193 0.000 1.068 450 S HN 0.140 nan 8.310 nan 0.000 0.480 451 R N 2.919 123.429 120.500 0.017 0.000 2.070 451 R HA 0.057 4.398 4.340 0.001 0.000 0.233 451 R C 1.930 178.293 176.300 0.104 0.000 1.137 451 R CA 2.233 58.380 56.100 0.078 0.000 0.945 451 R CB -1.027 29.319 30.300 0.076 0.000 0.845 451 R HN 0.739 nan 8.270 nan 0.000 0.430 452 I N 0.455 121.055 120.570 0.050 0.000 2.361 452 I HA -0.220 3.951 4.170 0.001 0.000 0.251 452 I C 1.482 177.694 176.117 0.158 0.000 1.133 452 I CA 1.704 63.039 61.300 0.058 0.000 1.413 452 I CB -0.493 37.523 38.000 0.025 0.000 1.073 452 I HN 0.256 nan 8.210 nan 0.000 0.424 453 H N -0.885 118.217 119.070 0.053 0.000 2.387 453 H HA -0.133 4.424 4.556 0.001 0.000 0.299 453 H C 2.474 177.839 175.328 0.062 0.000 1.090 453 H CA 1.461 57.538 56.048 0.048 0.000 1.332 453 H CB -1.018 28.769 29.762 0.041 0.000 1.386 453 H HN 0.456 nan 8.280 nan 0.000 0.516 454 C N 0.322 119.747 119.300 0.207 0.000 2.457 454 C HA -0.092 4.368 4.460 0.001 0.000 0.278 454 C C 2.778 177.878 174.990 0.184 0.000 1.309 454 C CA 1.493 60.611 59.018 0.166 0.000 1.735 454 C CB -1.014 26.816 27.740 0.151 0.000 1.992 454 C HN 0.554 nan 8.230 nan 0.000 0.493 455 T N 0.254 114.923 114.554 0.192 0.000 2.788 455 T HA -0.136 4.215 4.350 0.001 0.000 0.268 455 T C 1.938 176.769 174.700 0.219 0.000 1.044 455 T CA 1.278 63.513 62.100 0.226 0.000 1.139 455 T CB -0.251 68.687 68.868 0.117 0.000 0.867 455 T HN 0.604 nan 8.240 nan 0.000 0.454 456 R N 0.285 120.867 120.500 0.136 0.000 2.090 456 R HA 0.169 4.510 4.340 0.001 0.000 0.228 456 R C 2.484 178.800 176.300 0.025 0.000 1.110 456 R CA 0.696 56.840 56.100 0.073 0.000 0.973 456 R CB -0.427 29.913 30.300 0.066 0.000 0.869 456 R HN 0.329 nan 8.270 nan 0.000 0.440 457 L N 0.400 121.654 121.223 0.053 0.000 2.027 457 L HA -0.093 4.247 4.340 0.001 0.000 0.206 457 L C 2.309 179.183 176.870 0.007 0.000 1.074 457 L CA 1.522 56.380 54.840 0.030 0.000 0.745 457 L CB -0.312 41.779 42.059 0.054 0.000 0.898 457 L HN 0.175 nan 8.230 nan 0.000 0.433 458 A N -0.263 122.590 122.820 0.055 0.000 1.930 458 A HA -0.066 4.255 4.320 0.001 0.000 0.217 458 A C 2.256 179.605 177.584 -0.392 0.000 1.175 458 A CA 1.305 53.349 52.037 0.011 0.000 0.627 458 A CB -1.255 17.909 19.000 0.273 0.000 0.815 458 A HN 0.546 nan 8.150 nan 0.000 0.443 459 G N -0.181 108.340 108.800 -0.464 0.000 2.408 459 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 459 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 459 G C 1.091 175.707 174.900 -0.474 0.000 1.150 459 G CA 1.176 45.787 45.100 -0.816 0.000 0.776 459 G HN 0.441 nan 8.290 nan 0.000 0.542 460 D N 0.682 120.891 120.400 -0.318 0.000 2.117 460 D HA -0.038 4.603 4.640 0.001 0.000 0.197 460 D C 2.478 178.477 176.300 -0.501 0.000 0.987 460 D CA 0.803 54.551 54.000 -0.419 0.000 0.829 460 D CB -0.121 40.515 40.800 -0.274 0.000 0.961 460 D HN 0.284 nan 8.370 nan 0.000 0.460 461 K N 0.580 120.860 120.400 -0.199 0.000 2.057 461 K HA -0.031 4.289 4.320 0.001 0.000 0.207 461 K C 2.132 178.757 176.600 0.041 0.000 1.049 461 K CA 1.050 57.354 56.287 0.028 0.000 0.931 461 K CB -0.072 32.469 32.500 0.069 0.000 0.714 461 K HN 0.022 nan 8.250 nan 0.000 0.440 462 A N 2.161 124.894 122.820 -0.146 0.000 1.908 462 A HA -0.219 4.102 4.320 0.001 0.000 0.218 462 A C 1.806 179.494 177.584 0.173 0.000 1.181 462 A CA 1.769 53.782 52.037 -0.040 0.000 0.627 462 A CB -0.529 18.259 19.000 -0.354 0.000 0.818 462 A HN 0.238 nan 8.150 nan 0.000 0.445 463 N N -0.864 117.818 118.700 -0.030 0.000 2.120 463 N HA -0.163 4.578 4.740 0.001 0.000 0.188 463 N C 1.585 177.236 175.510 0.234 0.000 1.024 463 N CA 1.784 54.873 53.050 0.066 0.000 0.852 463 N CB -0.689 37.702 38.487 -0.160 0.000 1.003 463 N HN 0.758 nan 8.380 nan 0.000 0.424 464 Y N -1.163 119.275 120.300 0.230 0.000 2.181 464 Y HA -0.235 4.316 4.550 0.001 0.000 0.288 464 Y C 2.396 178.474 175.900 0.296 0.000 1.146 464 Y CA 0.586 58.814 58.100 0.214 0.000 1.164 464 Y CB -0.343 38.211 38.460 0.157 0.000 0.982 464 Y HN 0.180 nan 8.280 nan 0.000 0.515 465 W N 0.505 122.013 121.300 0.348 0.000 2.338 465 W HA -0.274 4.386 4.660 0.001 0.000 0.304 465 W C 2.434 179.245 176.519 0.487 0.000 1.212 465 W CA 1.512 59.067 57.345 0.350 0.000 1.264 465 W CB -0.690 28.935 29.460 0.274 0.000 1.142 465 W HN 0.296 nan 8.180 nan 0.000 0.512 466 W N 0.552 121.975 121.300 0.206 0.000 2.409 466 W HA -0.173 4.488 4.660 0.001 0.000 0.299 466 W C 1.705 178.415 176.519 0.318 0.000 1.203 466 W CA 1.192 58.516 57.345 -0.035 0.000 1.298 466 W CB -0.539 28.986 29.460 0.108 0.000 1.127 466 W HN -0.161 nan 8.180 nan 0.000 0.528 467 L N 0.778 122.194 121.223 0.322 0.000 2.265 467 L HA -0.170 4.170 4.340 0.001 0.000 0.215 467 L C 2.403 179.288 176.870 0.025 0.000 1.117 467 L CA 1.116 56.074 54.840 0.196 0.000 0.782 467 L CB -0.611 41.594 42.059 0.245 0.000 0.914 467 L HN -0.102 nan 8.230 nan 0.000 0.441 468 R N -1.375 119.156 120.500 0.051 0.000 2.316 468 R HA -0.079 4.262 4.340 0.001 0.000 0.202 468 R C 1.433 177.616 176.300 -0.194 0.000 1.029 468 R CA 0.437 56.511 56.100 -0.043 0.000 1.018 468 R CB -0.095 30.176 30.300 -0.048 0.000 0.888 468 R HN 0.395 nan 8.270 nan 0.000 0.471 469 H N -1.737 117.125 119.070 -0.346 0.000 2.563 469 H HA 0.073 4.630 4.556 0.001 0.000 0.264 469 H C 0.254 175.302 175.328 -0.466 0.000 0.957 469 H CA -0.013 55.802 56.048 -0.388 0.000 1.173 469 H CB 0.012 29.435 29.762 -0.565 0.000 1.420 469 H HN 0.080 nan 8.280 nan 0.000 0.551 470 H N 1.641 120.282 119.070 -0.714 0.000 2.972 470 H HA -0.056 4.501 4.556 0.001 0.000 0.343 470 H C -1.577 173.343 175.328 -0.680 0.000 1.054 470 H CA -1.247 54.050 56.048 -1.252 0.000 1.412 470 H CB 1.233 30.317 29.762 -1.130 0.000 1.385 470 H HN 0.118 nan 8.280 nan 0.000 0.600 471 P HA -0.178 nan 4.420 nan 0.000 0.216 471 P C 1.212 178.450 177.300 -0.102 0.000 1.157 471 P CA 1.794 64.720 63.100 -0.290 0.000 0.880 471 P CB 0.163 31.675 31.700 -0.314 0.000 0.791 472 Q N -1.143 118.704 119.800 0.078 0.000 2.364 472 Q HA -0.086 4.254 4.340 0.001 0.000 0.209 472 Q C 1.783 177.713 176.000 -0.116 0.000 0.977 472 Q CA 0.861 56.649 55.803 -0.024 0.000 0.885 472 Q CB -0.322 28.401 28.738 -0.026 0.000 0.941 472 Q HN 0.195 nan 8.270 nan 0.000 0.464 473 V N 0.017 119.869 119.914 -0.103 0.000 2.575 473 V HA -0.122 3.998 4.120 0.001 0.000 0.242 473 V C 1.915 177.928 176.094 -0.134 0.000 1.045 473 V CA 0.822 63.043 62.300 -0.132 0.000 1.065 473 V CB -0.186 31.595 31.823 -0.069 0.000 0.717 473 V HN 0.317 nan 8.190 nan 0.000 0.467 474 L N 1.136 122.265 121.223 -0.156 0.000 2.191 474 L HA -0.082 4.258 4.340 0.001 0.000 0.212 474 L C 1.853 178.636 176.870 -0.146 0.000 1.103 474 L CA 1.694 56.431 54.840 -0.171 0.000 0.769 474 L CB -0.557 41.380 42.059 -0.204 0.000 0.908 474 L HN 0.515 nan 8.230 nan 0.000 0.438 475 S N -1.310 114.315 115.700 -0.126 0.000 2.526 475 S HA 0.351 4.822 4.470 0.001 0.000 0.247 475 S C 0.325 174.876 174.600 -0.082 0.000 1.076 475 S CA -0.557 57.582 58.200 -0.102 0.000 1.105 475 S CB -0.235 62.908 63.200 -0.094 0.000 0.793 475 S HN 0.132 nan 8.310 nan 0.000 0.458 476 M N 1.939 121.496 119.600 -0.072 0.000 2.235 476 M HA 0.341 4.822 4.480 0.001 0.000 0.351 476 M C -0.200 176.101 176.300 0.002 0.000 1.178 476 M CA 0.222 55.516 55.300 -0.010 0.000 1.143 476 M CB 0.993 33.624 32.600 0.051 0.000 1.530 476 M HN 0.119 nan 8.290 nan 0.000 0.461 477 K N 2.815 123.249 120.400 0.058 0.000 2.507 477 K HA 0.597 4.918 4.320 0.001 0.000 0.253 477 K C -0.572 176.008 176.600 -0.033 0.000 0.969 477 K CA -0.261 56.024 56.287 -0.003 0.000 0.908 477 K CB 0.924 33.419 32.500 -0.009 0.000 1.127 477 K HN 0.594 nan 8.250 nan 0.000 0.437 478 F N 0.737 120.581 119.950 -0.177 0.000 2.450 478 F HA 0.833 5.360 4.527 0.001 0.000 0.361 478 F C 0.243 175.918 175.800 -0.209 0.000 1.092 478 F CA -1.166 56.629 58.000 -0.342 0.000 1.105 478 F CB 0.148 38.854 39.000 -0.489 0.000 1.458 478 F HN 0.449 nan 8.300 nan 0.000 0.496 479 K N 0.810 121.075 120.400 -0.225 0.000 2.274 479 K HA 0.739 5.059 4.320 0.001 0.000 0.262 479 K C 0.239 176.762 176.600 -0.129 0.000 0.961 479 K CA -0.194 56.006 56.287 -0.144 0.000 0.833 479 K CB 0.026 32.449 32.500 -0.128 0.000 1.102 479 K HN 2.437 nan 8.250 nan 0.000 0.436 484 R N 0.620 121.114 120.500 -0.010 0.000 2.064 484 R HA 0.491 4.832 4.340 0.001 0.000 0.228 484 R C 2.756 179.076 176.300 0.032 0.000 1.144 484 R CA 2.305 58.410 56.100 0.009 0.000 0.932 484 R CB -1.446 28.868 30.300 0.022 0.000 0.833 484 R HN 1.217 nan 8.270 nan 0.000 0.429 485 A N 0.187 123.043 122.820 0.059 0.000 2.024 485 A HA 0.044 4.364 4.320 0.001 0.000 0.220 485 A C 2.427 180.051 177.584 0.066 0.000 1.164 485 A CA 2.212 54.310 52.037 0.102 0.000 0.643 485 A CB -0.727 18.368 19.000 0.157 0.000 0.806 485 A HN 0.815 nan 8.150 nan 0.000 0.451 486 E N -0.718 119.498 120.200 0.026 0.000 2.122 486 E HA 0.156 4.507 4.350 0.001 0.000 0.190 486 E C 2.183 178.771 176.600 -0.020 0.000 0.977 486 E CA 1.550 57.950 56.400 0.001 0.000 0.820 486 E CB -1.471 28.212 29.700 -0.028 0.000 0.770 486 E HN 1.158 nan 8.360 nan 0.000 0.462 487 I N 2.147 122.690 120.570 -0.045 0.000 2.163 487 I HA -0.193 3.978 4.170 0.001 0.000 0.243 487 I C 2.903 179.015 176.117 -0.007 0.000 1.085 487 I CA 2.940 64.195 61.300 -0.075 0.000 1.347 487 I CB -1.521 36.430 38.000 -0.082 0.000 1.044 487 I HN 0.574 nan 8.210 nan 0.000 0.408 488 S N -0.118 115.600 115.700 0.029 0.000 2.423 488 S HA -0.215 4.256 4.470 0.001 0.000 0.231 488 S C 2.031 176.677 174.600 0.077 0.000 1.014 488 S CA 1.340 59.576 58.200 0.060 0.000 0.965 488 S CB -0.867 62.381 63.200 0.079 0.000 0.785 488 S HN 0.758 nan 8.310 nan 0.000 0.495 489 N N 2.424 121.165 118.700 0.068 0.000 2.106 489 N HA 0.055 4.796 4.740 0.001 0.000 0.188 489 N C 2.004 177.593 175.510 0.132 0.000 1.029 489 N CA 1.569 54.662 53.050 0.072 0.000 0.848 489 N CB -0.776 37.740 38.487 0.049 0.000 1.007 489 N HN 0.564 nan 8.380 nan 0.000 0.423 490 A N 1.261 124.186 122.820 0.174 0.000 1.940 490 A HA -0.086 4.235 4.320 0.001 0.000 0.219 490 A C 2.365 180.216 177.584 0.444 0.000 1.176 490 A CA 0.916 53.188 52.037 0.391 0.000 0.631 490 A CB -0.601 18.529 19.000 0.217 0.000 0.814 490 A HN 0.272 nan 8.150 nan 0.000 0.446 491 I N -0.514 120.209 120.570 0.256 0.000 2.202 491 I HA -0.241 3.929 4.170 0.001 0.000 0.242 491 I C 2.317 178.554 176.117 0.199 0.000 1.091 491 I CA 2.003 63.444 61.300 0.234 0.000 1.368 491 I CB -0.493 37.583 38.000 0.127 0.000 1.058 491 I HN 0.468 nan 8.210 nan 0.000 0.410 492 D N 0.573 121.044 120.400 0.119 0.000 2.123 492 D HA -0.241 4.400 4.640 0.001 0.000 0.196 492 D C 2.214 178.499 176.300 -0.026 0.000 0.992 492 D CA 1.433 55.453 54.000 0.033 0.000 0.833 492 D CB 0.088 40.899 40.800 0.018 0.000 0.954 492 D HN 0.334 nan 8.370 nan 0.000 0.455 493 Q N -1.193 118.621 119.800 0.022 0.000 2.124 493 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 493 Q C 1.881 177.814 176.000 -0.111 0.000 0.977 493 Q CA 1.293 57.055 55.803 -0.068 0.000 0.850 493 Q CB -0.339 28.363 28.738 -0.059 0.000 0.901 493 Q HN 0.511 nan 8.270 nan 0.000 0.429 494 Y N 1.452 121.683 120.300 -0.115 0.000 2.114 494 Y HA -0.239 4.312 4.550 0.002 0.000 0.284 494 Y C 2.234 178.051 175.900 -0.139 0.000 1.143 494 Y CA 1.653 59.670 58.100 -0.139 0.000 1.135 494 Y CB -0.379 38.137 38.460 0.093 0.000 0.980 494 Y HN 0.016 nan 8.280 nan 0.000 0.499 495 V N -1.761 118.105 119.914 -0.081 0.000 2.626 495 V HA -0.144 3.977 4.120 0.001 0.000 0.252 495 V C 1.808 177.758 176.094 -0.240 0.000 1.067 495 V CA 2.231 64.434 62.300 -0.161 0.000 1.081 495 V CB -1.676 30.164 31.823 0.028 0.000 0.686 495 V HN 0.618 nan 8.190 nan 0.000 0.468 496 T N -2.828 111.505 114.554 -0.369 0.000 3.086 496 T HA 0.394 4.745 4.350 0.001 0.000 0.250 496 T C 1.467 176.008 174.700 -0.265 0.000 1.074 496 T CA 0.488 62.283 62.100 -0.508 0.000 0.988 496 T CB -0.162 68.323 68.868 -0.638 0.000 0.988 496 T HN 1.708 nan 8.240 nan 0.000 0.530 497 G N 2.276 110.919 108.800 -0.262 0.000 2.359 497 G HA2 -0.202 3.759 3.960 0.001 0.000 0.298 497 G HA3 -0.202 3.759 3.960 0.001 0.000 0.298 497 G C 0.324 175.105 174.900 -0.198 0.000 1.030 497 G CA 0.404 45.363 45.100 -0.234 0.000 1.149 497 G HN 1.237 nan 8.290 nan 0.000 0.512 498 T N -2.801 111.622 114.554 -0.218 0.000 3.571 498 T HA 0.483 4.834 4.350 0.001 0.000 0.292 498 T C 1.749 176.332 174.700 -0.196 0.000 0.994 498 T CA 0.268 62.263 62.100 -0.174 0.000 0.996 498 T CB -0.099 68.683 68.868 -0.143 0.000 1.185 498 T HN 0.301 nan 8.240 nan 0.000 0.482 499 I N 1.635 122.030 120.570 -0.291 0.000 2.353 499 I HA 0.308 4.479 4.170 0.001 0.000 0.248 499 I C 1.644 177.642 176.117 -0.198 0.000 1.119 499 I CA 1.102 62.181 61.300 -0.368 0.000 1.417 499 I CB -0.635 36.932 38.000 -0.720 0.000 1.078 499 I HN 0.749 nan 8.210 nan 0.000 0.421 500 G N 1.411 110.114 108.800 -0.161 0.000 2.662 500 G HA2 -0.105 3.856 3.960 0.001 0.000 0.686 500 G HA3 -0.105 3.856 3.960 0.001 0.000 0.686 500 G C -0.764 174.092 174.900 -0.074 0.000 1.271 500 G CA -0.905 44.140 45.100 -0.092 0.000 0.816 500 G HN 0.093 nan 8.290 nan 0.000 0.608 501 E N 0.858 121.031 120.200 -0.045 0.000 2.232 501 E HA 0.586 4.937 4.350 0.001 0.000 0.265 501 E C 0.801 177.397 176.600 -0.007 0.000 1.001 501 E CA 0.195 56.578 56.400 -0.029 0.000 0.870 501 E CB 1.077 30.760 29.700 -0.028 0.000 1.175 501 E HN 0.702 nan 8.360 nan 0.000 0.407 502 D N 0.675 121.077 120.400 0.003 0.000 4.089 502 D HA -0.318 4.323 4.640 0.001 0.000 0.141 502 D C 1.378 177.696 176.300 0.030 0.000 0.858 502 D CA 1.896 55.904 54.000 0.014 0.000 1.094 502 D CB -0.902 39.903 40.800 0.008 0.000 0.550 502 D HN 0.568 nan 8.370 nan 0.000 0.562 503 E N 1.633 121.850 120.200 0.028 0.000 2.110 503 E HA -0.207 4.144 4.350 0.001 0.000 0.193 503 E C 1.626 178.261 176.600 0.057 0.000 0.988 503 E CA 2.394 58.818 56.400 0.038 0.000 0.804 503 E CB -0.665 29.052 29.700 0.028 0.000 0.745 503 E HN 0.517 nan 8.360 nan 0.000 0.458 504 D N 0.030 120.459 120.400 0.050 0.000 2.092 504 D HA -0.142 4.499 4.640 0.001 0.000 0.193 504 D C 2.088 178.464 176.300 0.128 0.000 0.994 504 D CA 1.576 55.617 54.000 0.068 0.000 0.828 504 D CB -0.383 40.433 40.800 0.027 0.000 0.963 504 D HN 0.352 nan 8.370 nan 0.000 0.450 505 L N 1.323 122.607 121.223 0.101 0.000 2.079 505 L HA -0.169 4.172 4.340 0.001 0.000 0.210 505 L C 2.677 179.688 176.870 0.236 0.000 1.081 505 L CA 1.529 56.468 54.840 0.166 0.000 0.752 505 L CB -0.969 41.138 42.059 0.081 0.000 0.896 505 L HN 0.099 nan 8.230 nan 0.000 0.433 506 I N -0.930 119.727 120.570 0.145 0.000 2.179 506 I HA -0.251 3.919 4.170 0.001 0.000 0.242 506 I C 2.778 178.973 176.117 0.129 0.000 1.088 506 I CA 2.978 64.349 61.300 0.119 0.000 1.357 506 I CB -2.109 35.934 38.000 0.072 0.000 1.051 506 I HN 0.431 nan 8.210 nan 0.000 0.409 507 K N -0.954 119.525 120.400 0.131 0.000 2.147 507 K HA -0.233 4.088 4.320 0.001 0.000 0.205 507 K C 2.006 178.699 176.600 0.155 0.000 1.049 507 K CA 1.677 58.031 56.287 0.112 0.000 0.936 507 K CB -1.562 30.996 32.500 0.097 0.000 0.722 507 K HN 0.921 nan 8.250 nan 0.000 0.446 508 W N 1.337 122.674 121.300 0.063 0.000 2.378 508 W HA -0.057 4.604 4.660 0.002 0.000 0.313 508 W C 2.014 178.665 176.519 0.220 0.000 1.197 508 W CA 1.869 59.286 57.345 0.120 0.000 1.304 508 W CB 0.279 29.810 29.460 0.119 0.000 1.148 508 W HN 0.242 nan 8.180 nan 0.000 0.494 509 K N -0.029 120.523 120.400 0.254 0.000 2.209 509 K HA -0.100 4.221 4.320 0.001 0.000 0.204 509 K C 2.094 178.713 176.600 0.032 0.000 1.048 509 K CA 1.157 57.485 56.287 0.069 0.000 0.940 509 K CB -0.486 32.104 32.500 0.149 0.000 0.729 509 K HN 0.183 nan 8.250 nan 0.000 0.451 510 A N 1.066 123.898 122.820 0.019 0.000 2.125 510 A HA -0.088 4.233 4.320 0.001 0.000 0.219 510 A C 1.894 179.418 177.584 -0.099 0.000 1.156 510 A CA 1.035 53.059 52.037 -0.022 0.000 0.671 510 A CB -0.458 18.537 19.000 -0.008 0.000 0.794 510 A HN 0.178 nan 8.150 nan 0.000 0.459 511 L N -1.814 119.282 121.223 -0.212 0.000 2.313 511 L HA 0.091 4.432 4.340 0.001 0.000 0.214 511 L C 0.122 176.662 176.870 -0.550 0.000 1.119 511 L CA -0.081 54.502 54.840 -0.428 0.000 0.809 511 L CB -0.302 41.359 42.059 -0.663 0.000 0.933 511 L HN 0.273 nan 8.230 nan 0.000 0.449 512 F N 0.122 119.878 119.950 -0.324 0.000 2.377 512 F HA 0.344 4.872 4.527 0.001 0.000 0.328 512 F C 1.362 177.052 175.800 -0.182 0.000 1.094 512 F CA -0.482 57.352 58.000 -0.276 0.000 1.093 512 F CB 0.587 39.376 39.000 -0.353 0.000 1.214 512 F HN -0.201 nan 8.300 nan 0.000 0.518 513 E N 0.257 120.475 120.200 0.030 0.000 2.419 513 E HA 0.490 4.840 4.350 0.001 0.000 0.190 513 E C 0.039 176.642 176.600 0.005 0.000 1.040 513 E CA 0.588 56.984 56.400 -0.006 0.000 0.900 513 E CB -0.430 29.252 29.700 -0.030 0.000 1.054 513 E HN 0.778 nan 8.360 nan 0.000 0.462 514 E N -1.057 119.161 120.200 0.030 0.000 3.575 514 E HA 0.414 4.765 4.350 0.001 0.000 0.390 514 E C -0.822 175.719 176.600 -0.098 0.000 1.009 514 E CA -0.183 56.202 56.400 -0.026 0.000 0.750 514 E CB -0.248 29.431 29.700 -0.035 0.000 1.339 514 E HN 0.530 nan 8.360 nan 0.000 0.475 515 V N 5.121 124.942 119.914 -0.155 0.000 2.403 515 V HA 0.322 4.443 4.120 0.001 0.000 0.265 515 V C -1.268 174.608 176.094 -0.365 0.000 1.034 515 V CA -0.467 61.614 62.300 -0.364 0.000 1.036 515 V CB 0.361 32.074 31.823 -0.183 0.000 1.032 515 V HN 0.740 nan 8.190 nan 0.000 0.478 516 P HA 0.271 nan 4.420 nan 0.000 0.271 516 P C -0.137 177.083 177.300 -0.134 0.000 1.216 516 P CA 0.088 62.976 63.100 -0.353 0.000 0.776 516 P CB 0.650 32.039 31.700 -0.519 0.000 0.881 517 E N 3.794 123.968 120.200 -0.043 0.000 2.373 517 E HA 0.228 4.579 4.350 0.001 0.000 0.267 517 E C 0.326 177.011 176.600 0.141 0.000 1.032 517 E CA -0.563 55.857 56.400 0.033 0.000 0.889 517 E CB 0.031 29.732 29.700 0.001 0.000 0.984 517 E HN 0.506 nan 8.360 nan 0.000 0.425 518 L N 1.170 122.466 121.223 0.122 0.000 2.467 518 L HA 0.277 4.618 4.340 0.001 0.000 0.270 518 L C 0.520 177.331 176.870 -0.098 0.000 1.205 518 L CA -0.321 54.547 54.840 0.048 0.000 0.828 518 L CB 0.287 42.279 42.059 -0.112 0.000 1.101 518 L HN 0.589 nan 8.230 nan 0.000 0.479 519 L N 1.406 122.453 121.223 -0.294 0.000 2.350 519 L HA 0.278 4.619 4.340 0.001 0.000 0.275 519 L C 0.737 177.494 176.870 -0.189 0.000 1.099 519 L CA -0.493 54.199 54.840 -0.247 0.000 0.808 519 L CB 1.299 43.132 42.059 -0.376 0.000 1.149 519 L HN 0.692 nan 8.230 nan 0.000 0.442 520 T N -2.216 112.273 114.554 -0.109 0.000 2.882 520 T HA 0.134 4.484 4.350 0.001 0.000 0.287 520 T C 1.004 175.671 174.700 -0.056 0.000 1.014 520 T CA -0.818 61.237 62.100 -0.075 0.000 1.049 520 T CB 1.421 70.265 68.868 -0.041 0.000 1.001 520 T HN 0.507 nan 8.240 nan 0.000 0.525 521 E N 1.127 121.302 120.200 -0.042 0.000 2.147 521 E HA -0.191 4.160 4.350 0.001 0.000 0.199 521 E C 2.360 178.965 176.600 0.009 0.000 1.005 521 E CA 1.732 58.122 56.400 -0.017 0.000 0.810 521 E CB -0.949 28.743 29.700 -0.013 0.000 0.736 521 E HN 0.857 nan 8.360 nan 0.000 0.460 522 A N 1.099 123.925 122.820 0.010 0.000 1.902 522 A HA -0.212 4.108 4.320 0.001 0.000 0.217 522 A C 2.064 179.682 177.584 0.056 0.000 1.181 522 A CA 1.653 53.708 52.037 0.029 0.000 0.623 522 A CB -0.426 18.587 19.000 0.022 0.000 0.818 522 A HN 0.246 nan 8.150 nan 0.000 0.443 523 E N -0.199 120.029 120.200 0.047 0.000 2.106 523 E HA -0.162 4.189 4.350 0.001 0.000 0.192 523 E C 2.042 178.729 176.600 0.144 0.000 0.984 523 E CA 1.236 57.690 56.400 0.089 0.000 0.806 523 E CB -0.133 29.588 29.700 0.036 0.000 0.750 523 E HN 0.576 nan 8.360 nan 0.000 0.458 524 K N 1.002 121.453 120.400 0.084 0.000 2.057 524 K HA -0.139 4.182 4.320 0.001 0.000 0.207 524 K C 2.019 178.742 176.600 0.205 0.000 1.049 524 K CA 1.151 57.521 56.287 0.138 0.000 0.931 524 K CB -0.010 32.529 32.500 0.064 0.000 0.714 524 K HN -0.010 nan 8.250 nan 0.000 0.440 525 K N 0.845 121.326 120.400 0.136 0.000 2.148 525 K HA -0.130 4.191 4.320 0.001 0.000 0.204 525 K C 1.897 178.583 176.600 0.144 0.000 1.050 525 K CA 1.179 57.538 56.287 0.119 0.000 0.942 525 K CB 0.053 32.595 32.500 0.070 0.000 0.724 525 K HN 0.255 nan 8.250 nan 0.000 0.446 526 E N 0.159 120.464 120.200 0.175 0.000 2.072 526 E HA -0.170 4.181 4.350 0.001 0.000 0.190 526 E C 1.741 178.497 176.600 0.260 0.000 0.982 526 E CA 0.684 57.194 56.400 0.182 0.000 0.803 526 E CB -0.106 29.704 29.700 0.183 0.000 0.755 526 E HN 0.449 nan 8.360 nan 0.000 0.453 527 W N 1.370 122.767 121.300 0.161 0.000 2.388 527 W HA -0.139 4.522 4.660 0.001 0.000 0.294 527 W C 1.729 178.483 176.519 0.392 0.000 1.212 527 W CA 0.947 58.424 57.345 0.220 0.000 1.271 527 W CB 0.143 29.738 29.460 0.226 0.000 1.126 527 W HN -0.111 nan 8.180 nan 0.000 0.535 528 V N 0.964 121.077 119.914 0.332 0.000 2.626 528 V HA -0.247 3.874 4.120 0.001 0.000 0.252 528 V C 1.962 178.072 176.094 0.027 0.000 1.067 528 V CA 1.886 64.332 62.300 0.243 0.000 1.081 528 V CB -0.736 31.208 31.823 0.200 0.000 0.686 528 V HN 0.117 nan 8.190 nan 0.000 0.468 529 E N -0.204 120.015 120.200 0.032 0.000 2.338 529 E HA -0.172 4.179 4.350 0.001 0.000 0.197 529 E C 1.958 178.499 176.600 -0.099 0.000 1.007 529 E CA 0.641 57.023 56.400 -0.029 0.000 0.849 529 E CB 0.007 29.711 29.700 0.006 0.000 0.774 529 E HN 0.554 nan 8.360 nan 0.000 0.506 530 K N 0.340 120.663 120.400 -0.129 0.000 2.459 530 K HA 0.001 4.321 4.320 0.001 0.000 0.193 530 K C 0.282 176.633 176.600 -0.415 0.000 1.030 530 K CA -0.168 55.992 56.287 -0.212 0.000 1.026 530 K CB 0.171 32.509 32.500 -0.270 0.000 0.809 530 K HN 0.005 nan 8.250 nan 0.000 0.504 531 L N 2.101 122.953 121.223 -0.618 0.000 2.360 531 L HA 0.067 4.408 4.340 0.001 0.000 0.276 531 L C 0.006 176.556 176.870 -0.534 0.000 1.121 531 L CA 0.717 54.937 54.840 -1.033 0.000 0.845 531 L CB 0.505 41.957 42.059 -1.012 0.000 1.143 531 L HN 0.098 nan 8.230 nan 0.000 0.452 532 T N 0.683 114.951 114.554 -0.476 0.000 2.865 532 T HA 0.481 4.832 4.350 0.001 0.000 0.294 532 T C -0.191 174.396 174.700 -0.188 0.000 1.119 532 T CA -0.616 61.323 62.100 -0.268 0.000 1.007 532 T CB 1.248 69.996 68.868 -0.200 0.000 1.225 532 T HN 0.618 nan 8.240 nan 0.000 0.515 533 E N -0.351 119.775 120.200 -0.122 0.000 2.269 533 E HA -0.123 4.228 4.350 0.001 0.000 0.223 533 E C -0.524 176.107 176.600 0.053 0.000 1.244 533 E CA 0.121 56.519 56.400 -0.004 0.000 0.713 533 E CB -1.499 28.242 29.700 0.068 0.000 1.178 533 E HN 0.501 nan 8.360 nan 0.000 0.370 534 V N 0.720 120.626 119.914 -0.013 0.000 2.743 534 V HA 0.316 4.436 4.120 0.001 0.000 0.301 534 V C 0.634 176.778 176.094 0.083 0.000 1.057 534 V CA -0.332 61.981 62.300 0.022 0.000 1.006 534 V CB 2.046 33.881 31.823 0.019 0.000 1.024 534 V HN 0.158 nan 8.190 nan 0.000 0.473 535 S N 3.334 119.073 115.700 0.065 0.000 2.532 535 S HA 0.733 5.204 4.470 0.001 0.000 0.301 535 S C -0.630 173.929 174.600 -0.068 0.000 1.083 535 S CA -0.422 57.808 58.200 0.050 0.000 1.025 535 S CB 1.310 64.502 63.200 -0.014 0.000 1.056 535 S HN 0.491 nan 8.310 nan 0.000 0.494 536 I N 1.563 122.067 120.570 -0.108 0.000 2.608 536 I HA 0.506 4.677 4.170 0.001 0.000 0.295 536 I C -0.443 175.617 176.117 -0.094 0.000 1.049 536 I CA -0.412 60.767 61.300 -0.201 0.000 1.063 536 I CB 2.282 40.078 38.000 -0.339 0.000 1.248 536 I HN 0.508 nan 8.210 nan 0.000 0.424 537 S N 3.298 118.952 115.700 -0.076 0.000 2.538 537 S HA 0.555 5.026 4.470 0.001 0.000 0.288 537 S C -1.073 173.498 174.600 -0.048 0.000 1.108 537 S CA -0.372 57.807 58.200 -0.034 0.000 0.971 537 S CB 1.746 64.956 63.200 0.017 0.000 1.041 537 S HN 0.597 nan 8.310 nan 0.000 0.483 538 S N 1.947 117.577 115.700 -0.116 0.000 2.482 538 S HA 0.369 4.840 4.470 0.001 0.000 0.303 538 S C 0.398 174.924 174.600 -0.123 0.000 1.091 538 S CA -0.642 57.474 58.200 -0.139 0.000 1.057 538 S CB 1.099 64.047 63.200 -0.419 0.000 1.031 538 S HN 0.849 nan 8.310 nan 0.000 0.485 539 D N 2.842 123.214 120.400 -0.047 0.000 2.363 539 D HA 0.287 4.928 4.640 0.001 0.000 0.226 539 D C 0.345 176.566 176.300 -0.132 0.000 1.020 539 D CA 0.332 54.306 54.000 -0.044 0.000 0.892 539 D CB -0.011 40.824 40.800 0.058 0.000 0.900 539 D HN 0.551 nan 8.370 nan 0.000 0.531 540 A N -0.437 122.286 122.820 -0.162 0.000 2.599 540 A HA 0.538 4.859 4.320 0.001 0.000 0.290 540 A C -0.676 176.745 177.584 -0.272 0.000 1.101 540 A CA -1.111 50.774 52.037 -0.254 0.000 0.674 540 A CB 0.315 19.165 19.000 -0.251 0.000 1.277 540 A HN 0.170 nan 8.150 nan 0.000 0.419 541 F N -0.315 119.522 119.950 -0.189 0.000 2.586 541 F HA 0.613 5.141 4.527 0.001 0.000 0.344 541 F C -0.773 174.991 175.800 -0.059 0.000 1.188 541 F CA -0.539 57.354 58.000 -0.178 0.000 1.359 541 F CB -0.082 38.832 39.000 -0.144 0.000 1.129 541 F HN 0.255 nan 8.300 nan 0.000 0.609 542 F N 3.199 123.313 119.950 0.273 0.000 2.411 542 F HA 0.368 4.896 4.527 0.001 0.000 0.355 542 F C -1.571 174.380 175.800 0.252 0.000 1.117 542 F CA -2.601 55.487 58.000 0.146 0.000 1.139 542 F CB 0.742 39.822 39.000 0.133 0.000 1.120 542 F HN 0.315 nan 8.300 nan 0.000 0.493 543 P HA -0.056 nan 4.420 nan 0.000 0.217 543 P C -0.511 176.516 177.300 -0.456 0.000 1.151 543 P CA 1.522 64.613 63.100 -0.015 0.000 0.828 543 P CB 0.321 31.940 31.700 -0.136 0.000 0.788 544 F N -2.780 117.270 119.950 0.166 0.000 2.664 544 F HA 0.328 4.855 4.527 0.001 0.000 0.317 544 F C 1.431 177.241 175.800 0.017 0.000 1.108 544 F CA -1.091 56.959 58.000 0.083 0.000 0.957 544 F CB 0.697 39.723 39.000 0.043 0.000 1.365 544 F HN -0.393 nan 8.300 nan 0.000 0.475 545 R N -0.303 120.340 120.500 0.237 0.000 2.328 545 R HA -0.067 4.273 4.340 0.001 0.000 0.207 545 R C 0.628 176.921 176.300 -0.011 0.000 1.056 545 R CA 1.568 57.711 56.100 0.072 0.000 1.016 545 R CB -0.733 29.606 30.300 0.065 0.000 0.872 545 R HN 0.622 nan 8.270 nan 0.000 0.471 546 D N 1.036 121.445 120.400 0.016 0.000 2.221 546 D HA -0.213 4.428 4.640 0.001 0.000 0.204 546 D C 1.027 177.257 176.300 -0.117 0.000 0.982 546 D CA 1.051 55.031 54.000 -0.033 0.000 0.857 546 D CB -0.511 40.288 40.800 -0.002 0.000 0.934 546 D HN 0.281 nan 8.370 nan 0.000 0.475 547 N N 0.462 119.012 118.700 -0.251 0.000 2.142 547 N HA -0.089 4.651 4.740 0.001 0.000 0.186 547 N C 2.058 177.296 175.510 -0.454 0.000 1.023 547 N CA 1.137 53.877 53.050 -0.518 0.000 0.852 547 N CB -0.062 37.625 38.487 -1.333 0.000 0.998 547 N HN 0.178 nan 8.380 nan 0.000 0.424 548 V N 2.409 122.104 119.914 -0.366 0.000 2.270 548 V HA -0.193 3.928 4.120 0.001 0.000 0.245 548 V C 1.825 177.849 176.094 -0.116 0.000 1.043 548 V CA 1.638 63.821 62.300 -0.195 0.000 1.014 548 V CB -0.562 31.203 31.823 -0.097 0.000 0.645 548 V HN 0.178 nan 8.190 nan 0.000 0.447 549 D N -0.095 120.252 120.400 -0.089 0.000 2.158 549 D HA -0.223 4.418 4.640 0.001 0.000 0.197 549 D C 2.296 178.569 176.300 -0.045 0.000 0.995 549 D CA 1.623 55.590 54.000 -0.055 0.000 0.846 549 D CB -0.217 40.558 40.800 -0.041 0.000 0.941 549 D HN 0.269 nan 8.370 nan 0.000 0.456 550 R N 1.276 121.745 120.500 -0.051 0.000 2.066 550 R HA 0.010 4.350 4.340 0.001 0.000 0.232 550 R C 2.062 178.379 176.300 0.027 0.000 1.131 550 R CA 1.751 57.844 56.100 -0.011 0.000 0.955 550 R CB -0.862 29.437 30.300 -0.001 0.000 0.851 550 R HN 0.052 nan 8.270 nan 0.000 0.432 551 A N 0.850 123.675 122.820 0.008 0.000 1.908 551 A HA -0.222 4.099 4.320 0.001 0.000 0.218 551 A C 2.075 179.679 177.584 0.033 0.000 1.181 551 A CA 2.083 54.152 52.037 0.054 0.000 0.627 551 A CB -0.631 18.323 19.000 -0.076 0.000 0.818 551 A HN 0.355 nan 8.150 nan 0.000 0.445 552 K N 0.271 120.656 120.400 -0.024 0.000 2.152 552 K HA -0.104 4.216 4.320 0.001 0.000 0.206 552 K C 1.840 178.420 176.600 -0.033 0.000 1.048 552 K CA 1.590 57.850 56.287 -0.044 0.000 0.933 552 K CB -0.314 32.154 32.500 -0.054 0.000 0.721 552 K HN 0.491 nan 8.250 nan 0.000 0.447 553 R N -0.465 120.027 120.500 -0.014 0.000 2.339 553 R HA 0.095 4.436 4.340 0.001 0.000 0.199 553 R C 0.313 176.603 176.300 -0.018 0.000 1.018 553 R CA 0.666 56.756 56.100 -0.017 0.000 1.036 553 R CB 0.184 30.478 30.300 -0.011 0.000 0.899 553 R HN -0.016 nan 8.270 nan 0.000 0.473 554 S N -0.572 115.131 115.700 0.005 0.000 2.751 554 S HA 0.230 4.701 4.470 0.001 0.000 0.247 554 S C 0.597 175.179 174.600 -0.029 0.000 1.103 554 S CA 0.201 58.397 58.200 -0.008 0.000 1.090 554 S CB 1.534 64.739 63.200 0.008 0.000 0.928 554 S HN 0.564 nan 8.310 nan 0.000 0.502 555 G N 0.909 109.656 108.800 -0.088 0.000 2.189 555 G HA2 -0.268 3.692 3.960 0.001 0.000 0.267 555 G HA3 -0.268 3.692 3.960 0.001 0.000 0.267 555 G C 0.209 175.040 174.900 -0.114 0.000 0.975 555 G CA 0.179 45.194 45.100 -0.142 0.000 0.644 555 G HN 0.513 nan 8.290 nan 0.000 0.537 556 V N 0.639 120.514 119.914 -0.065 0.000 2.485 556 V HA 0.448 4.568 4.120 0.001 0.000 0.287 556 V C 1.350 177.316 176.094 -0.214 0.000 1.022 556 V CA 1.243 63.482 62.300 -0.102 0.000 1.067 556 V CB 1.155 32.931 31.823 -0.079 0.000 0.967 556 V HN 0.948 nan 8.190 nan 0.000 0.479 557 A N 4.878 127.467 122.820 -0.384 0.000 2.358 557 A HA 0.422 4.742 4.320 0.001 0.000 0.223 557 A C 0.145 177.161 177.584 -0.948 0.000 1.218 557 A CA 0.159 51.758 52.037 -0.729 0.000 0.942 557 A CB 0.425 18.805 19.000 -1.033 0.000 1.005 557 A HN 0.706 nan 8.150 nan 0.000 0.514 558 Y N -0.760 119.492 120.300 -0.080 0.000 2.421 558 Y HA 0.723 5.274 4.550 0.001 0.000 0.339 558 Y C -0.491 175.355 175.900 -0.090 0.000 0.996 558 Y CA -0.983 57.064 58.100 -0.087 0.000 1.046 558 Y CB 1.451 39.844 38.460 -0.112 0.000 1.226 558 Y HN -0.020 nan 8.280 nan 0.000 0.445 559 I N 2.454 123.063 120.570 0.066 0.000 2.582 559 I HA 0.819 4.990 4.170 0.001 0.000 0.292 559 I C -0.839 175.298 176.117 0.032 0.000 1.066 559 I CA -1.113 60.209 61.300 0.036 0.000 1.053 559 I CB 2.265 40.311 38.000 0.076 0.000 1.241 559 I HN 0.759 nan 8.210 nan 0.000 0.421 560 A N 4.634 127.472 122.820 0.030 0.000 2.356 560 A HA 0.989 5.309 4.320 0.001 0.000 0.310 560 A C -0.918 176.661 177.584 -0.009 0.000 1.075 560 A CA -0.409 51.686 52.037 0.097 0.000 0.746 560 A CB 1.656 20.829 19.000 0.288 0.000 1.221 560 A HN 0.945 nan 8.150 nan 0.000 0.443 561 A N 3.029 125.838 122.820 -0.018 0.000 2.605 561 A HA 0.842 5.163 4.320 0.001 0.000 0.294 561 A C -3.351 174.249 177.584 0.026 0.000 1.062 561 A CA -1.267 50.696 52.037 -0.124 0.000 0.682 561 A CB 0.968 19.697 19.000 -0.452 0.000 1.278 561 A HN 0.486 nan 8.150 nan 0.000 0.410 562 P HA 0.250 nan 4.420 nan 0.000 0.269 562 P C 0.301 177.537 177.300 -0.106 0.000 1.215 562 P CA 0.180 63.242 63.100 -0.063 0.000 0.780 562 P CB 0.830 32.474 31.700 -0.093 0.000 0.898 563 S N 0.774 116.281 115.700 -0.321 0.000 2.686 563 S HA 0.690 5.161 4.470 0.001 0.000 0.270 563 S C 0.977 175.332 174.600 -0.408 0.000 1.194 563 S CA 0.317 58.086 58.200 -0.718 0.000 0.990 563 S CB 0.855 63.629 63.200 -0.711 0.000 1.029 563 S HN 0.710 nan 8.310 nan 0.000 0.560 564 G N -0.205 108.285 108.800 -0.517 0.000 3.685 564 G HA2 0.051 4.012 3.960 0.001 0.000 0.215 564 G HA3 0.051 4.012 3.960 0.001 0.000 0.215 564 G C 0.150 174.530 174.900 -0.866 0.000 0.987 564 G CA 0.191 44.901 45.100 -0.649 0.000 0.884 564 G HN 1.405 nan 8.290 nan 0.000 0.406 565 S N 0.414 115.530 115.700 -0.973 0.000 2.713 565 S HA 0.736 5.207 4.470 0.001 0.000 0.283 565 S C 1.367 175.762 174.600 -0.342 0.000 1.161 565 S CA 0.658 58.431 58.200 -0.711 0.000 0.999 565 S CB 1.886 64.707 63.200 -0.632 0.000 1.039 565 S HN 1.404 nan 8.310 nan 0.000 0.548 566 A N -0.100 122.580 122.820 -0.234 0.000 2.235 566 A HA 0.495 4.816 4.320 0.001 0.000 0.208 566 A C 1.804 179.343 177.584 -0.075 0.000 1.172 566 A CA 0.660 52.622 52.037 -0.125 0.000 0.786 566 A CB -1.102 17.850 19.000 -0.081 0.000 0.804 566 A HN 1.226 nan 8.150 nan 0.000 0.479 567 A N -0.648 122.110 122.820 -0.103 0.000 2.275 567 A HA 0.160 4.481 4.320 0.001 0.000 0.212 567 A C 1.331 178.933 177.584 0.029 0.000 1.201 567 A CA 0.740 52.766 52.037 -0.019 0.000 0.843 567 A CB -0.217 18.728 19.000 -0.092 0.000 0.873 567 A HN 0.324 nan 8.150 nan 0.000 0.492 568 D N 1.002 121.395 120.400 -0.012 0.000 2.133 568 D HA -0.189 4.452 4.640 0.001 0.000 0.192 568 D C 2.391 178.753 176.300 0.103 0.000 1.001 568 D CA 2.366 56.410 54.000 0.073 0.000 0.844 568 D CB -0.183 40.605 40.800 -0.019 0.000 0.944 568 D HN 0.523 nan 8.370 nan 0.000 0.447 569 K N 0.603 121.035 120.400 0.053 0.000 2.020 569 K HA -0.142 4.178 4.320 0.001 0.000 0.212 569 K C 2.371 179.010 176.600 0.065 0.000 1.050 569 K CA 1.791 58.109 56.287 0.052 0.000 0.929 569 K CB -1.260 31.259 32.500 0.032 0.000 0.714 569 K HN 0.167 nan 8.250 nan 0.000 0.443 570 V N 0.763 120.724 119.914 0.078 0.000 2.548 570 V HA -0.168 3.953 4.120 0.001 0.000 0.249 570 V C 2.472 178.623 176.094 0.094 0.000 1.055 570 V CA 1.413 63.765 62.300 0.087 0.000 1.065 570 V CB 0.089 31.982 31.823 0.117 0.000 0.681 570 V HN 0.388 nan 8.190 nan 0.000 0.462 571 V N -0.017 119.969 119.914 0.120 0.000 2.358 571 V HA -0.208 3.913 4.120 0.001 0.000 0.246 571 V C 2.183 178.330 176.094 0.089 0.000 1.047 571 V CA 2.009 64.388 62.300 0.132 0.000 1.035 571 V CB -0.360 31.591 31.823 0.215 0.000 0.658 571 V HN 0.433 nan 8.190 nan 0.000 0.452 572 I N -0.141 120.479 120.570 0.085 0.000 2.226 572 I HA -0.254 3.916 4.170 0.001 0.000 0.245 572 I C 2.512 178.644 176.117 0.025 0.000 1.100 572 I CA 1.644 62.968 61.300 0.039 0.000 1.374 572 I CB -0.402 37.629 38.000 0.051 0.000 1.057 572 I HN 0.356 nan 8.210 nan 0.000 0.413 573 E N 0.882 121.102 120.200 0.034 0.000 2.085 573 E HA -0.255 4.096 4.350 0.001 0.000 0.194 573 E C 2.343 178.952 176.600 0.014 0.000 0.994 573 E CA 1.428 57.841 56.400 0.022 0.000 0.801 573 E CB -0.226 29.491 29.700 0.027 0.000 0.743 573 E HN 0.539 nan 8.360 nan 0.000 0.453 574 A N 0.566 123.399 122.820 0.021 0.000 1.902 574 A HA -0.213 4.108 4.320 0.001 0.000 0.217 574 A C 2.415 179.994 177.584 -0.007 0.000 1.181 574 A CA 1.322 53.364 52.037 0.008 0.000 0.623 574 A CB -0.874 18.135 19.000 0.015 0.000 0.818 574 A HN 0.387 nan 8.150 nan 0.000 0.443 575 C N -0.528 118.768 119.300 -0.006 0.000 2.429 575 C HA -0.091 4.370 4.460 0.001 0.000 0.277 575 C C 2.406 177.379 174.990 -0.028 0.000 1.262 575 C CA 1.053 60.058 59.018 -0.023 0.000 1.733 575 C CB -1.143 26.583 27.740 -0.024 0.000 2.010 575 C HN 0.590 nan 8.230 nan 0.000 0.483 576 D N 0.211 120.601 120.400 -0.017 0.000 2.117 576 D HA -0.141 4.500 4.640 0.001 0.000 0.197 576 D C 2.145 178.433 176.300 -0.020 0.000 0.987 576 D CA 1.138 55.127 54.000 -0.017 0.000 0.829 576 D CB -0.558 40.238 40.800 -0.008 0.000 0.961 576 D HN 0.642 nan 8.370 nan 0.000 0.460 577 E N 0.311 120.501 120.200 -0.016 0.000 2.118 577 E HA -0.137 4.214 4.350 0.001 0.000 0.195 577 E C 1.688 178.272 176.600 -0.027 0.000 0.992 577 E CA 0.656 57.045 56.400 -0.017 0.000 0.804 577 E CB 0.044 29.736 29.700 -0.012 0.000 0.741 577 E HN 0.258 nan 8.360 nan 0.000 0.458 578 L N -0.570 120.632 121.223 -0.035 0.000 2.628 578 L HA 0.279 4.620 4.340 0.001 0.000 0.229 578 L C 1.126 177.957 176.870 -0.064 0.000 1.137 578 L CA 0.247 55.059 54.840 -0.048 0.000 0.909 578 L CB 0.432 42.460 42.059 -0.052 0.000 1.137 578 L HN 0.316 nan 8.230 nan 0.000 0.470 579 G N 1.615 110.380 108.800 -0.060 0.000 2.198 579 G HA2 -0.276 3.684 3.960 0.001 0.000 0.257 579 G HA3 -0.276 3.684 3.960 0.001 0.000 0.257 579 G C -0.019 174.813 174.900 -0.113 0.000 1.042 579 G CA 0.011 45.066 45.100 -0.074 0.000 0.791 579 G HN 0.336 nan 8.290 nan 0.000 0.502 580 I N 0.269 120.777 120.570 -0.103 0.000 2.412 580 I HA 0.462 4.633 4.170 0.001 0.000 0.296 580 I C 0.772 176.838 176.117 -0.086 0.000 0.987 580 I CA -1.154 60.063 61.300 -0.137 0.000 1.180 580 I CB 1.609 39.541 38.000 -0.113 0.000 1.340 580 I HN -0.040 nan 8.210 nan 0.000 0.455 581 I N 6.276 126.800 120.570 -0.076 0.000 2.395 581 I HA 0.207 4.378 4.170 0.001 0.000 0.289 581 I C -0.580 175.546 176.117 0.015 0.000 1.023 581 I CA -0.427 60.881 61.300 0.013 0.000 1.350 581 I CB 1.320 39.396 38.000 0.127 0.000 1.409 581 I HN 0.324 nan 8.210 nan 0.000 0.507 582 L N 7.411 128.625 121.223 -0.016 0.000 2.349 582 L HA 0.692 5.033 4.340 0.001 0.000 0.278 582 L C -0.359 176.469 176.870 -0.068 0.000 0.996 582 L CA -0.218 54.584 54.840 -0.063 0.000 0.825 582 L CB 1.408 43.378 42.059 -0.148 0.000 1.243 582 L HN 0.630 nan 8.230 nan 0.000 0.412 583 A N 4.019 126.829 122.820 -0.017 0.000 2.258 583 A HA 0.562 4.883 4.320 0.001 0.000 0.316 583 A C -0.959 176.652 177.584 0.046 0.000 1.279 583 A CA -0.454 51.617 52.037 0.056 0.000 0.876 583 A CB -0.013 19.106 19.000 0.198 0.000 1.170 583 A HN 0.740 nan 8.150 nan 0.000 0.520 584 H N 1.858 120.942 119.070 0.024 0.000 2.489 584 H HA 0.547 5.104 4.556 0.001 0.000 0.322 584 H C 0.778 176.077 175.328 -0.049 0.000 1.091 584 H CA 0.560 56.598 56.048 -0.017 0.000 1.291 584 H CB 1.593 31.342 29.762 -0.022 0.000 1.436 584 H HN 0.812 nan 8.280 nan 0.000 0.480 585 T N -0.505 114.087 114.554 0.063 0.000 2.919 585 T HA 0.248 4.599 4.350 0.001 0.000 0.282 585 T C 0.673 175.316 174.700 -0.094 0.000 1.020 585 T CA -1.020 61.044 62.100 -0.061 0.000 0.994 585 T CB 1.453 70.243 68.868 -0.130 0.000 1.180 585 T HN 0.631 nan 8.240 nan 0.000 0.566 586 N N -0.475 118.156 118.700 -0.116 0.000 2.351 586 N HA 0.208 4.948 4.740 0.001 0.000 0.254 586 N C -0.990 174.445 175.510 -0.125 0.000 1.241 586 N CA -0.246 52.734 53.050 -0.117 0.000 0.883 586 N CB 0.229 38.655 38.487 -0.102 0.000 1.202 586 N HN 0.417 nan 8.380 nan 0.000 0.512 587 L N 1.864 123.003 121.223 -0.140 0.000 2.356 587 L HA 0.415 4.756 4.340 0.001 0.000 0.264 587 L C -0.203 176.570 176.870 -0.163 0.000 1.029 587 L CA -0.495 54.256 54.840 -0.148 0.000 0.897 587 L CB 0.699 42.660 42.059 -0.163 0.000 1.256 587 L HN -0.013 nan 8.230 nan 0.000 0.444 588 R N 3.669 124.058 120.500 -0.185 0.000 2.490 588 R HA 0.465 4.806 4.340 0.001 0.000 0.280 588 R C -0.545 175.616 176.300 -0.231 0.000 1.077 588 R CA -0.245 55.695 56.100 -0.267 0.000 1.065 588 R CB 0.608 30.680 30.300 -0.379 0.000 1.003 588 R HN 0.756 nan 8.270 nan 0.000 0.470 589 L N 5.171 126.261 121.223 -0.222 0.000 3.083 589 L HA 0.309 4.650 4.340 0.001 0.000 0.286 589 L C -0.765 176.130 176.870 0.040 0.000 1.307 589 L CA -0.586 54.187 54.840 -0.113 0.000 0.897 589 L CB 0.145 42.136 42.059 -0.114 0.000 1.306 589 L HN 0.467 nan 8.230 nan 0.000 0.569 590 F N 0.372 120.285 119.950 -0.062 0.000 2.506 590 F HA 0.226 4.753 4.527 0.001 0.000 0.351 590 F C 0.685 176.460 175.800 -0.042 0.000 1.136 590 F CA -0.183 57.773 58.000 -0.073 0.000 1.298 590 F CB 0.171 39.160 39.000 -0.020 0.000 1.145 590 F HN 0.165 nan 8.300 nan 0.000 0.593 591 H N 2.793 121.790 119.070 -0.122 0.000 2.966 591 H HA 0.444 5.000 4.556 0.001 0.000 0.347 591 H C -1.214 173.919 175.328 -0.326 0.000 1.048 591 H CA -0.404 55.564 56.048 -0.135 0.000 1.295 591 H CB 0.638 30.349 29.762 -0.084 0.000 1.744 591 H HN 0.571 nan 8.280 nan 0.000 0.513 592 H N 0.000 118.944 119.070 -0.210 0.000 2.539 592 H HA 0.000 4.557 4.556 0.001 0.000 0.296 592 H CA 0.000 55.925 56.048 -0.205 0.000 1.023 592 H CB 0.000 29.709 29.762 -0.089 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496