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 1ebd_1_B DATA FIRST_RESID 7 DATA SEQUENCE AIETETLVVG AGPGGYVAAI RAAQLGQKVT IVEKGNLGGV CLNVGCIPSK DATA SEQUENCE ALISASHRYE QAKHSEEMGI KAENVTIDFA KVQEWKASVV KKLTGGVEGL DATA SEQUENCE LKGNKVEIVK GEAYFVDANT VRVVNGDSAQ TYTFKNAIIA TGSRPIELPN DATA SEQUENCE FKFSNRILDS TGALNLGEVP KSLVVIGGGY IGIELGTAYA NFGTKVTILE DATA SEQUENCE GAGEILSGFE KQMAAIIKKR LKKKGVEVVT NALAKGAEER EDGVTVTYEA DATA SEQUENCE NGETKTIDAD YVLVTVGRRP NTDELGLEQI GIKMTNRGLI EVDQQCRTSV DATA SEQUENCE PNIFAIGDIV PGPALAHKAS YEGKVAAEAI AGHPSAVDYV AIPAVVFSDP DATA SEQUENCE ECASVGYFEQ QAKDEGIDVI AAKFPFAANG RALALNDTDG FLKLVVRKED DATA SEQUENCE GVIIGAQIIG PNASDMIAEL GLAIEAGMTA EDIALTIHAH PTLGEIAMEA DATA SEQUENCE AEVAL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.500 177.584 -0.140 0.000 1.274 7 A CA 0.000 51.971 52.037 -0.110 0.000 0.836 7 A CB 0.000 18.927 19.000 -0.121 0.000 0.831 8 I N 2.107 122.523 120.570 -0.257 0.000 2.587 8 I HA 0.583 4.753 4.170 -0.000 0.000 0.284 8 I C 0.068 176.107 176.117 -0.129 0.000 1.134 8 I CA 0.338 61.478 61.300 -0.266 0.000 1.410 8 I CB -0.906 36.747 38.000 -0.580 0.000 1.392 8 I HN 0.463 nan 8.210 nan 0.000 0.545 9 E N 3.643 123.820 120.200 -0.038 0.000 2.242 9 E HA 0.735 5.085 4.350 -0.000 0.000 0.275 9 E C 0.004 176.652 176.600 0.081 0.000 1.002 9 E CA -0.279 56.137 56.400 0.026 0.000 0.841 9 E CB 1.733 31.439 29.700 0.010 0.000 1.109 9 E HN 0.879 nan 8.360 nan 0.000 0.394 10 T N 0.072 114.704 114.554 0.129 0.000 2.731 10 T HA 0.162 4.511 4.350 -0.000 0.000 0.300 10 T C -0.100 174.690 174.700 0.151 0.000 1.283 10 T CA -0.488 61.699 62.100 0.145 0.000 1.005 10 T CB 1.680 70.664 68.868 0.194 0.000 1.420 10 T HN 0.595 nan 8.240 nan 0.000 0.503 11 E N -0.347 119.931 120.200 0.131 0.000 2.182 11 E HA 0.262 4.612 4.350 -0.000 0.000 0.195 11 E C -0.361 176.328 176.600 0.147 0.000 0.933 11 E CA 0.220 56.695 56.400 0.125 0.000 0.940 11 E CB 0.639 30.384 29.700 0.076 0.000 0.945 11 E HN 0.564 nan 8.360 nan 0.000 0.477 12 T N 1.669 116.274 114.554 0.086 0.000 2.809 12 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 12 T C -0.896 173.797 174.700 -0.012 0.000 1.015 12 T CA -0.448 61.671 62.100 0.032 0.000 0.954 12 T CB 1.309 70.168 68.868 -0.016 0.000 0.950 12 T HN 0.113 nan 8.240 nan 0.000 0.450 13 L N 4.967 126.131 121.223 -0.098 0.000 2.295 13 L HA 0.733 5.073 4.340 -0.000 0.000 0.285 13 L C -0.944 175.818 176.870 -0.181 0.000 1.035 13 L CA -0.489 54.251 54.840 -0.166 0.000 0.806 13 L CB 0.984 42.869 42.059 -0.291 0.000 1.214 13 L HN 0.384 nan 8.230 nan 0.000 0.426 14 V N 5.839 125.681 119.914 -0.121 0.000 2.384 14 V HA 0.373 4.492 4.120 -0.000 0.000 0.287 14 V C -0.351 175.698 176.094 -0.075 0.000 1.020 14 V CA -0.681 61.571 62.300 -0.080 0.000 0.850 14 V CB 1.711 33.503 31.823 -0.052 0.000 0.987 14 V HN 0.502 nan 8.190 nan 0.000 0.436 15 V N 4.418 124.311 119.914 -0.034 0.000 2.318 15 V HA 0.859 4.979 4.120 -0.000 0.000 0.271 15 V C 0.611 176.712 176.094 0.012 0.000 1.030 15 V CA 0.333 62.622 62.300 -0.019 0.000 0.844 15 V CB 0.488 32.339 31.823 0.047 0.000 1.015 15 V HN 1.267 nan 8.190 nan 0.000 0.460 16 G N 4.043 112.843 108.800 -0.001 0.000 3.014 16 G HA2 0.327 4.287 3.960 -0.000 0.000 0.683 16 G HA3 0.327 4.287 3.960 -0.000 0.000 0.683 16 G C -0.242 174.677 174.900 0.032 0.000 1.271 16 G CA -0.307 44.804 45.100 0.019 0.000 0.843 16 G HN 1.322 nan 8.290 nan 0.000 0.612 17 A N 1.363 124.214 122.820 0.051 0.000 2.842 17 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 17 A C 1.318 179.009 177.584 0.178 0.000 1.293 17 A CA 1.078 53.179 52.037 0.108 0.000 0.959 17 A CB -0.223 18.820 19.000 0.072 0.000 1.119 17 A HN 2.082 nan 8.150 nan 0.000 0.564 18 G N 0.048 108.914 108.800 0.110 0.000 2.543 18 G HA2 0.450 4.410 3.960 -0.000 0.000 0.290 18 G HA3 0.450 4.410 3.960 -0.000 0.000 0.290 18 G C -0.856 174.050 174.900 0.009 0.000 1.310 18 G CA -0.984 44.175 45.100 0.100 0.000 1.025 18 G HN 0.099 nan 8.290 nan 0.000 0.502 19 P HA -0.154 nan 4.420 nan 0.000 0.216 19 P C 1.820 178.871 177.300 -0.416 0.000 1.153 19 P CA 2.057 64.964 63.100 -0.320 0.000 0.858 19 P CB -0.100 31.549 31.700 -0.086 0.000 0.789 20 G N -0.323 108.364 108.800 -0.189 0.000 2.394 20 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 20 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 20 G C 1.876 176.684 174.900 -0.153 0.000 1.165 20 G CA 0.861 45.873 45.100 -0.147 0.000 0.784 20 G HN 0.379 nan 8.290 nan 0.000 0.535 21 G N 0.753 109.492 108.800 -0.102 0.000 2.453 21 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 21 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 21 G C 1.715 176.604 174.900 -0.019 0.000 1.201 21 G CA 1.436 46.513 45.100 -0.039 0.000 0.784 21 G HN 0.609 nan 8.290 nan 0.000 0.545 22 Y N 1.423 121.710 120.300 -0.021 0.000 2.242 22 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 22 Y C 2.619 178.499 175.900 -0.033 0.000 1.137 22 Y CA 1.277 59.360 58.100 -0.028 0.000 1.181 22 Y CB -1.236 37.210 38.460 -0.023 0.000 0.989 22 Y HN 0.191 nan 8.280 nan 0.000 0.527 23 V N 0.223 119.921 119.914 -0.360 0.000 2.490 23 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 23 V C 2.417 178.444 176.094 -0.111 0.000 1.061 23 V CA 1.675 63.858 62.300 -0.195 0.000 1.064 23 V CB -1.471 30.168 31.823 -0.307 0.000 0.670 23 V HN 0.531 nan 8.190 nan 0.000 0.461 24 A N 0.834 123.580 122.820 -0.124 0.000 1.898 24 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 24 A C 2.486 180.026 177.584 -0.072 0.000 1.181 24 A CA 2.059 54.033 52.037 -0.106 0.000 0.620 24 A CB -1.153 17.787 19.000 -0.100 0.000 0.819 24 A HN 1.078 nan 8.150 nan 0.000 0.442 25 A N -0.826 121.975 122.820 -0.031 0.000 2.125 25 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 25 A C 1.971 179.555 177.584 -0.001 0.000 1.156 25 A CA 1.323 53.354 52.037 -0.010 0.000 0.671 25 A CB -0.454 18.559 19.000 0.022 0.000 0.794 25 A HN 0.524 nan 8.150 nan 0.000 0.459 26 I N -2.113 118.461 120.570 0.008 0.000 2.729 26 I HA -0.027 4.143 4.170 -0.000 0.000 0.256 26 I C 2.467 178.570 176.117 -0.025 0.000 1.115 26 I CA 0.691 61.997 61.300 0.010 0.000 1.446 26 I CB -0.057 37.976 38.000 0.055 0.000 1.176 26 I HN 0.238 nan 8.210 nan 0.000 0.446 27 R N 1.932 122.400 120.500 -0.054 0.000 2.120 27 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 27 R C 2.058 178.309 176.300 -0.080 0.000 1.123 27 R CA 1.765 57.816 56.100 -0.081 0.000 0.975 27 R CB -0.553 29.673 30.300 -0.123 0.000 0.866 27 R HN 0.354 nan 8.270 nan 0.000 0.446 28 A N 0.190 122.963 122.820 -0.078 0.000 1.873 28 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 28 A C 2.382 179.941 177.584 -0.042 0.000 1.186 28 A CA 1.662 53.655 52.037 -0.072 0.000 0.616 28 A CB -1.129 17.824 19.000 -0.078 0.000 0.823 28 A HN 0.454 nan 8.150 nan 0.000 0.442 29 A N -1.223 121.579 122.820 -0.029 0.000 1.933 29 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 29 A C 2.104 179.679 177.584 -0.014 0.000 1.175 29 A CA 2.030 54.058 52.037 -0.014 0.000 0.628 29 A CB -0.524 18.471 19.000 -0.007 0.000 0.814 29 A HN 0.527 nan 8.150 nan 0.000 0.444 30 Q N -0.878 118.909 119.800 -0.022 0.000 2.096 30 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 30 Q C 0.693 176.684 176.000 -0.015 0.000 0.982 30 Q CA 1.120 56.911 55.803 -0.020 0.000 0.850 30 Q CB -0.270 28.449 28.738 -0.032 0.000 0.901 30 Q HN 0.473 nan 8.270 nan 0.000 0.422 31 L N -0.349 120.861 121.223 -0.022 0.000 2.779 31 L HA 0.256 4.596 4.340 -0.000 0.000 0.239 31 L C 1.214 178.083 176.870 -0.001 0.000 1.245 31 L CA 1.052 55.887 54.840 -0.008 0.000 1.064 31 L CB -0.481 41.567 42.059 -0.018 0.000 1.350 31 L HN 0.354 nan 8.230 nan 0.000 0.455 32 G N -1.245 107.554 108.800 -0.000 0.000 2.196 32 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.268 32 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.268 32 G C 0.624 175.527 174.900 0.005 0.000 0.975 32 G CA 0.240 45.343 45.100 0.004 0.000 0.648 32 G HN 0.474 nan 8.290 nan 0.000 0.538 33 Q N 0.027 119.827 119.800 -0.001 0.000 2.364 33 Q HA 0.389 4.729 4.340 -0.000 0.000 0.267 33 Q C 0.342 176.347 176.000 0.008 0.000 0.999 33 Q CA 0.169 55.973 55.803 0.002 0.000 0.886 33 Q CB 0.712 29.442 28.738 -0.013 0.000 1.243 33 Q HN 0.291 nan 8.270 nan 0.000 0.415 34 K N 2.124 122.537 120.400 0.021 0.000 2.262 34 K HA 0.225 4.545 4.320 -0.000 0.000 0.288 34 K C -1.239 175.379 176.600 0.031 0.000 1.090 34 K CA -0.206 56.099 56.287 0.029 0.000 0.918 34 K CB 0.417 32.941 32.500 0.041 0.000 1.139 34 K HN 0.316 nan 8.250 nan 0.000 0.462 35 V N 3.122 123.047 119.914 0.019 0.000 2.483 35 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 35 V C -0.155 175.947 176.094 0.013 0.000 1.035 35 V CA -0.651 61.654 62.300 0.009 0.000 0.896 35 V CB 1.958 33.776 31.823 -0.009 0.000 0.986 35 V HN 0.679 nan 8.190 nan 0.000 0.447 36 T N 5.880 120.436 114.554 0.003 0.000 2.864 36 T HA 0.528 4.878 4.350 -0.000 0.000 0.299 36 T C -0.505 174.151 174.700 -0.073 0.000 1.011 36 T CA -0.103 61.988 62.100 -0.016 0.000 0.975 36 T CB 1.152 70.032 68.868 0.020 0.000 0.962 36 T HN 0.530 nan 8.240 nan 0.000 0.448 37 I N 3.996 124.523 120.570 -0.071 0.000 2.392 37 I HA 0.618 4.788 4.170 -0.000 0.000 0.295 37 I C -0.805 175.243 176.117 -0.114 0.000 0.985 37 I CA -0.762 60.491 61.300 -0.078 0.000 1.221 37 I CB 0.872 38.854 38.000 -0.031 0.000 1.366 37 I HN 0.312 nan 8.210 nan 0.000 0.467 38 V N 6.046 125.883 119.914 -0.128 0.000 2.581 38 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 38 V C -0.625 175.422 176.094 -0.078 0.000 1.041 38 V CA -0.511 61.703 62.300 -0.144 0.000 0.907 38 V CB 1.641 33.344 31.823 -0.200 0.000 0.994 38 V HN 0.731 nan 8.190 nan 0.000 0.442 39 E N 2.585 122.747 120.200 -0.064 0.000 2.307 39 E HA 0.340 4.690 4.350 -0.000 0.000 0.280 39 E C 0.369 176.952 176.600 -0.028 0.000 0.900 39 E CA -0.618 55.762 56.400 -0.032 0.000 0.790 39 E CB 1.766 31.455 29.700 -0.020 0.000 1.261 39 E HN 0.642 nan 8.360 nan 0.000 0.405 40 K N 2.251 122.641 120.400 -0.017 0.000 2.155 40 K HA 0.150 4.470 4.320 -0.000 0.000 0.203 40 K C 0.965 177.559 176.600 -0.011 0.000 1.052 40 K CA 1.050 57.329 56.287 -0.013 0.000 0.948 40 K CB 0.275 32.771 32.500 -0.006 0.000 0.728 40 K HN 0.357 nan 8.250 nan 0.000 0.448 41 G N 0.870 109.665 108.800 -0.008 0.000 3.345 41 G HA2 0.196 4.156 3.960 -0.000 0.000 0.202 41 G HA3 0.196 4.156 3.960 -0.000 0.000 0.202 41 G C -0.903 173.989 174.900 -0.013 0.000 1.740 41 G CA -0.655 44.440 45.100 -0.010 0.000 0.806 41 G HN 0.301 nan 8.290 nan 0.000 0.718 42 N N -0.471 118.222 118.700 -0.013 0.000 2.430 42 N HA 0.569 5.309 4.740 -0.000 0.000 0.298 42 N C -0.885 174.617 175.510 -0.013 0.000 1.130 42 N CA -0.715 52.323 53.050 -0.019 0.000 0.894 42 N CB 2.005 40.477 38.487 -0.025 0.000 1.209 42 N HN 0.120 nan 8.380 nan 0.000 0.503 43 L N 0.636 121.844 121.223 -0.025 0.000 2.473 43 L HA 0.282 4.622 4.340 -0.000 0.000 0.268 43 L C 1.778 178.640 176.870 -0.014 0.000 1.215 43 L CA 1.152 55.978 54.840 -0.023 0.000 0.823 43 L CB -0.265 41.755 42.059 -0.065 0.000 1.099 43 L HN 0.929 nan 8.230 nan 0.000 0.483 44 G N -0.275 108.548 108.800 0.039 0.000 2.299 44 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.237 44 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.237 44 G C 0.833 175.809 174.900 0.126 0.000 1.027 44 G CA 0.271 45.428 45.100 0.096 0.000 0.619 44 G HN 1.570 nan 8.290 nan 0.000 0.513 45 G N -1.150 107.693 108.800 0.073 0.000 2.569 45 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.259 45 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.259 45 G C 1.133 176.058 174.900 0.041 0.000 1.263 45 G CA 1.607 46.741 45.100 0.057 0.000 0.928 45 G HN 1.372 nan 8.290 nan 0.000 0.572 46 V N 0.167 120.105 119.914 0.039 0.000 2.255 46 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 46 V C 3.189 179.303 176.094 0.034 0.000 1.051 46 V CA 3.102 65.420 62.300 0.030 0.000 1.018 46 V CB -1.215 30.628 31.823 0.034 0.000 0.641 46 V HN 1.154 nan 8.190 nan 0.000 0.445 47 C N -0.217 119.114 119.300 0.051 0.000 2.376 47 C HA -0.213 4.247 4.460 -0.000 0.000 0.275 47 C C 2.578 177.587 174.990 0.031 0.000 1.200 47 C CA 1.756 60.805 59.018 0.052 0.000 1.756 47 C CB -1.065 26.718 27.740 0.071 0.000 2.050 47 C HN 0.525 nan 8.230 nan 0.000 0.460 48 L N 1.107 122.350 121.223 0.034 0.000 2.044 48 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 48 L C 2.221 179.075 176.870 -0.028 0.000 1.075 48 L CA 2.264 57.105 54.840 0.001 0.000 0.747 48 L CB -0.981 41.081 42.059 0.004 0.000 0.903 48 L HN 0.418 nan 8.230 nan 0.000 0.435 49 N N -0.979 117.710 118.700 -0.019 0.000 2.135 49 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 49 N C 0.844 176.332 175.510 -0.037 0.000 1.027 49 N CA 1.545 54.575 53.050 -0.034 0.000 0.849 49 N CB 0.211 38.683 38.487 -0.026 0.000 1.002 49 N HN 0.269 nan 8.380 nan 0.000 0.425 50 V N -4.039 115.861 119.914 -0.023 0.000 2.967 50 V HA 0.682 4.802 4.120 -0.000 0.000 0.364 50 V C 0.351 176.440 176.094 -0.009 0.000 1.373 50 V CA -0.164 62.122 62.300 -0.024 0.000 1.193 50 V CB 0.438 32.244 31.823 -0.029 0.000 1.236 50 V HN 0.205 nan 8.190 nan 0.000 0.582 51 G N -0.113 108.688 108.800 0.003 0.000 3.054 51 G HA2 0.175 4.135 3.960 -0.000 0.000 0.201 51 G HA3 0.175 4.135 3.960 -0.000 0.000 0.201 51 G C 1.016 175.937 174.900 0.035 0.000 1.694 51 G CA 0.772 45.889 45.100 0.029 0.000 0.742 51 G HN 0.288 nan 8.290 nan 0.000 0.790 52 C N 1.158 120.486 119.300 0.048 0.000 2.386 52 C HA -0.042 4.418 4.460 -0.000 0.000 0.279 52 C C 2.826 177.799 174.990 -0.028 0.000 1.208 52 C CA 0.627 59.667 59.018 0.037 0.000 1.747 52 C CB -1.210 26.553 27.740 0.038 0.000 2.046 52 C HN 0.415 nan 8.230 nan 0.000 0.453 53 I N 1.976 122.519 120.570 -0.045 0.000 2.099 53 I HA -0.110 4.060 4.170 -0.000 0.000 0.239 53 I C -0.133 175.909 176.117 -0.125 0.000 1.066 53 I CA 1.797 63.040 61.300 -0.094 0.000 1.324 53 I CB -2.917 35.026 38.000 -0.095 0.000 1.037 53 I HN 0.189 nan 8.210 nan 0.000 0.401 54 P HA -0.112 nan 4.420 nan 0.000 0.215 54 P C 2.219 179.476 177.300 -0.071 0.000 1.153 54 P CA 1.670 64.704 63.100 -0.111 0.000 0.853 54 P CB 0.055 31.708 31.700 -0.077 0.000 0.788 55 S N -0.795 114.881 115.700 -0.041 0.000 2.351 55 S HA -0.190 4.280 4.470 -0.000 0.000 0.220 55 S C 1.837 176.402 174.600 -0.058 0.000 1.035 55 S CA 1.565 59.757 58.200 -0.014 0.000 1.031 55 S CB -0.647 62.569 63.200 0.028 0.000 0.928 55 S HN -0.045 nan 8.310 nan 0.000 0.433 56 K N 1.735 122.051 120.400 -0.140 0.000 2.097 56 K HA 0.127 4.447 4.320 -0.000 0.000 0.206 56 K C 2.231 178.752 176.600 -0.131 0.000 1.049 56 K CA 1.282 57.409 56.287 -0.266 0.000 0.933 56 K CB -1.342 30.893 32.500 -0.443 0.000 0.717 56 K HN 0.422 nan 8.250 nan 0.000 0.442 57 A N 1.185 123.947 122.820 -0.096 0.000 1.908 57 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 57 A C 2.242 179.958 177.584 0.221 0.000 1.181 57 A CA 1.393 53.425 52.037 -0.009 0.000 0.627 57 A CB -0.623 18.165 19.000 -0.352 0.000 0.818 57 A HN 0.202 nan 8.150 nan 0.000 0.445 58 L N -0.140 121.149 121.223 0.111 0.000 2.093 58 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 58 L C 2.239 179.181 176.870 0.120 0.000 1.085 58 L CA 1.473 56.421 54.840 0.180 0.000 0.755 58 L CB -0.340 41.784 42.059 0.109 0.000 0.904 58 L HN 0.451 nan 8.230 nan 0.000 0.435 59 I N -1.996 118.589 120.570 0.025 0.000 2.252 59 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 59 I C 2.607 178.741 176.117 0.028 0.000 1.102 59 I CA 1.266 62.552 61.300 -0.023 0.000 1.385 59 I CB -0.474 37.507 38.000 -0.032 0.000 1.064 59 I HN 0.242 nan 8.210 nan 0.000 0.414 60 S N 0.697 116.439 115.700 0.069 0.000 2.353 60 S HA -0.213 4.257 4.470 -0.000 0.000 0.222 60 S C 2.257 176.923 174.600 0.109 0.000 1.035 60 S CA 1.616 59.874 58.200 0.097 0.000 1.025 60 S CB -0.245 63.052 63.200 0.163 0.000 0.902 60 S HN 0.478 nan 8.310 nan 0.000 0.440 61 A N 1.310 124.227 122.820 0.163 0.000 1.883 61 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 61 A C 2.447 180.155 177.584 0.206 0.000 1.186 61 A CA 2.527 54.653 52.037 0.149 0.000 0.624 61 A CB -1.371 17.806 19.000 0.295 0.000 0.822 61 A HN 0.832 nan 8.150 nan 0.000 0.444 62 S N -1.068 114.637 115.700 0.009 0.000 2.383 62 S HA -0.271 4.199 4.470 -0.000 0.000 0.229 62 S C 1.859 176.393 174.600 -0.110 0.000 1.030 62 S CA 1.777 59.699 58.200 -0.464 0.000 1.002 62 S CB -0.759 61.842 63.200 -0.998 0.000 0.829 62 S HN 0.700 nan 8.310 nan 0.000 0.467 63 H N 1.163 120.192 119.070 -0.069 0.000 2.395 63 H HA 0.253 4.809 4.556 -0.000 0.000 0.299 63 H C 2.500 177.840 175.328 0.019 0.000 1.070 63 H CA 1.244 57.279 56.048 -0.022 0.000 1.356 63 H CB 0.056 29.807 29.762 -0.020 0.000 1.401 63 H HN 0.142 nan 8.280 nan 0.000 0.524 64 R N -0.320 120.264 120.500 0.141 0.000 2.091 64 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 64 R C 1.959 178.313 176.300 0.090 0.000 1.136 64 R CA 1.450 57.603 56.100 0.088 0.000 0.959 64 R CB -1.015 29.313 30.300 0.047 0.000 0.856 64 R HN 0.448 nan 8.270 nan 0.000 0.437 65 Y N 1.873 122.190 120.300 0.028 0.000 2.133 65 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 65 Y C 2.546 178.450 175.900 0.007 0.000 1.134 65 Y CA 2.034 60.163 58.100 0.048 0.000 1.133 65 Y CB -0.380 38.176 38.460 0.159 0.000 0.987 65 Y HN 0.207 nan 8.280 nan 0.000 0.502 66 E N -0.087 120.062 120.200 -0.086 0.000 2.049 66 E HA -0.378 3.972 4.350 -0.000 0.000 0.198 66 E C 2.287 178.833 176.600 -0.090 0.000 1.007 66 E CA 1.971 58.286 56.400 -0.141 0.000 0.809 66 E CB -0.400 29.093 29.700 -0.345 0.000 0.749 66 E HN 0.685 nan 8.360 nan 0.000 0.450 67 Q N -0.224 119.521 119.800 -0.092 0.000 2.084 67 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 67 Q C 2.133 178.093 176.000 -0.068 0.000 0.978 67 Q CA 1.511 57.295 55.803 -0.031 0.000 0.844 67 Q CB -0.183 28.570 28.738 0.026 0.000 0.898 67 Q HN 0.434 nan 8.270 nan 0.000 0.426 68 A N 1.284 124.033 122.820 -0.117 0.000 1.865 68 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 68 A C 1.821 179.270 177.584 -0.225 0.000 1.191 68 A CA 1.736 53.686 52.037 -0.144 0.000 0.623 68 A CB -0.401 18.514 19.000 -0.143 0.000 0.826 68 A HN 0.256 nan 8.150 nan 0.000 0.444 69 K N -1.186 118.986 120.400 -0.381 0.000 2.504 69 K HA -0.032 4.288 4.320 -0.000 0.000 0.195 69 K C -0.242 175.912 176.600 -0.743 0.000 1.036 69 K CA 0.877 56.827 56.287 -0.562 0.000 0.984 69 K CB -0.111 31.941 32.500 -0.746 0.000 0.788 69 K HN 0.728 nan 8.250 nan 0.000 0.488 70 H N -1.233 117.752 119.070 -0.143 0.000 2.779 70 H HA 0.189 4.745 4.556 -0.000 0.000 0.230 70 H C -0.273 175.015 175.328 -0.067 0.000 1.365 70 H CA -0.196 55.793 56.048 -0.098 0.000 1.086 70 H CB 0.989 30.689 29.762 -0.104 0.000 2.038 70 H HN -0.090 nan 8.280 nan 0.000 0.558 71 S N 0.302 116.002 115.700 0.001 0.000 2.574 71 S HA -0.010 4.460 4.470 -0.000 0.000 0.242 71 S C 1.287 175.888 174.600 0.002 0.000 0.982 71 S CA -0.120 58.084 58.200 0.006 0.000 0.977 71 S CB 0.173 63.368 63.200 -0.008 0.000 0.814 71 S HN 0.502 nan 8.310 nan 0.000 0.464 72 E N 1.827 122.029 120.200 0.004 0.000 2.273 72 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 72 E C 1.653 178.257 176.600 0.007 0.000 1.002 72 E CA 1.050 57.451 56.400 0.001 0.000 0.828 72 E CB -0.057 29.648 29.700 0.009 0.000 0.747 72 E HN 0.589 nan 8.360 nan 0.000 0.491 73 E N -0.096 120.112 120.200 0.014 0.000 2.285 73 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 73 E C 1.269 177.875 176.600 0.009 0.000 0.997 73 E CA 0.565 56.972 56.400 0.012 0.000 0.845 73 E CB 0.145 29.853 29.700 0.015 0.000 0.782 73 E HN 0.245 nan 8.360 nan 0.000 0.491 74 M N -1.025 118.579 119.600 0.008 0.000 2.419 74 M HA 0.243 4.723 4.480 -0.000 0.000 0.252 74 M C 0.867 177.168 176.300 0.002 0.000 1.143 74 M CA 0.500 55.804 55.300 0.007 0.000 0.985 74 M CB 1.474 34.079 32.600 0.009 0.000 1.489 74 M HN 0.242 nan 8.290 nan 0.000 0.484 75 G N 1.457 110.257 108.800 -0.000 0.000 2.143 75 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 75 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 75 G C 0.018 174.913 174.900 -0.009 0.000 0.981 75 G CA -0.246 44.851 45.100 -0.004 0.000 0.665 75 G HN 0.485 nan 8.290 nan 0.000 0.528 76 I N 0.808 121.371 120.570 -0.012 0.000 2.304 76 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 76 I C 0.166 176.265 176.117 -0.030 0.000 1.018 76 I CA -0.261 61.028 61.300 -0.019 0.000 1.260 76 I CB 1.276 39.265 38.000 -0.018 0.000 1.390 76 I HN -0.041 nan 8.210 nan 0.000 0.475 77 K N 6.197 126.577 120.400 -0.033 0.000 2.604 77 K HA 0.687 5.007 4.320 -0.000 0.000 0.247 77 K C -0.480 176.092 176.600 -0.047 0.000 0.956 77 K CA -0.499 55.762 56.287 -0.044 0.000 0.896 77 K CB 2.244 34.724 32.500 -0.034 0.000 1.131 77 K HN 0.651 nan 8.250 nan 0.000 0.440 78 A N 2.517 125.298 122.820 -0.064 0.000 2.529 78 A HA 0.497 4.817 4.320 -0.000 0.000 0.269 78 A C -0.442 177.109 177.584 -0.055 0.000 1.509 78 A CA -0.081 51.921 52.037 -0.058 0.000 0.857 78 A CB 0.619 19.576 19.000 -0.073 0.000 1.531 78 A HN 0.717 nan 8.150 nan 0.000 0.541 79 E N -0.829 119.343 120.200 -0.047 0.000 2.381 79 E HA 0.232 4.582 4.350 -0.000 0.000 0.286 79 E C -1.504 175.080 176.600 -0.026 0.000 0.960 79 E CA -0.641 55.737 56.400 -0.037 0.000 0.793 79 E CB 0.882 30.567 29.700 -0.025 0.000 1.225 79 E HN 0.634 nan 8.360 nan 0.000 0.420 80 N N 1.146 119.835 118.700 -0.020 0.000 2.667 80 N HA -0.147 4.593 4.740 -0.000 0.000 0.263 80 N C -0.898 174.619 175.510 0.011 0.000 1.038 80 N CA 0.782 53.831 53.050 -0.000 0.000 0.749 80 N CB -1.037 37.452 38.487 0.003 0.000 0.892 80 N HN 0.226 nan 8.380 nan 0.000 0.546 81 V N 0.828 120.749 119.914 0.011 0.000 2.389 81 V HA 0.238 4.358 4.120 -0.000 0.000 0.264 81 V C 1.056 177.237 176.094 0.145 0.000 1.049 81 V CA -0.361 61.966 62.300 0.045 0.000 0.932 81 V CB 0.860 32.668 31.823 -0.025 0.000 1.011 81 V HN 0.479 nan 8.190 nan 0.000 0.475 82 T N 3.417 118.041 114.554 0.118 0.000 2.875 82 T HA 0.719 5.069 4.350 -0.000 0.000 0.284 82 T C -0.518 174.251 174.700 0.114 0.000 0.995 82 T CA -0.584 61.582 62.100 0.109 0.000 1.060 82 T CB 1.907 70.806 68.868 0.051 0.000 0.967 82 T HN 0.392 nan 8.240 nan 0.000 0.476 83 I N 1.570 122.162 120.570 0.037 0.000 2.406 83 I HA 0.514 4.684 4.170 -0.000 0.000 0.290 83 I C -1.304 174.775 176.117 -0.062 0.000 0.999 83 I CA -0.800 60.457 61.300 -0.071 0.000 1.124 83 I CB 1.734 39.516 38.000 -0.364 0.000 1.289 83 I HN 0.698 nan 8.210 nan 0.000 0.441 84 D N 6.258 126.638 120.400 -0.034 0.000 2.462 84 D HA 0.141 4.781 4.640 -0.000 0.000 0.249 84 D C 0.636 176.947 176.300 0.018 0.000 1.117 84 D CA -0.274 53.723 54.000 -0.006 0.000 0.900 84 D CB 0.265 41.062 40.800 -0.005 0.000 1.039 84 D HN 0.437 nan 8.370 nan 0.000 0.516 85 F N 2.978 122.812 119.950 -0.193 0.000 2.161 85 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 85 F C 2.168 177.905 175.800 -0.105 0.000 1.089 85 F CA 1.423 59.294 58.000 -0.214 0.000 1.282 85 F CB -0.262 38.601 39.000 -0.228 0.000 1.010 85 F HN 0.488 nan 8.300 nan 0.000 0.485 86 A N -0.658 122.167 122.820 0.007 0.000 1.940 86 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 86 A C 2.320 179.866 177.584 -0.063 0.000 1.176 86 A CA 1.924 53.935 52.037 -0.042 0.000 0.631 86 A CB -0.693 18.306 19.000 -0.001 0.000 0.814 86 A HN 0.413 nan 8.150 nan 0.000 0.446 87 K N -0.482 119.893 120.400 -0.041 0.000 2.076 87 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 87 K C 1.814 178.415 176.600 0.001 0.000 1.051 87 K CA 1.125 57.404 56.287 -0.014 0.000 0.949 87 K CB -0.182 32.312 32.500 -0.010 0.000 0.726 87 K HN 0.213 nan 8.250 nan 0.000 0.443 88 V N 1.874 121.749 119.914 -0.066 0.000 2.252 88 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 88 V C 2.476 178.544 176.094 -0.043 0.000 1.056 88 V CA 1.776 64.051 62.300 -0.040 0.000 1.022 88 V CB -0.519 31.156 31.823 -0.246 0.000 0.641 88 V HN 0.432 nan 8.190 nan 0.000 0.445 89 Q N -0.399 119.229 119.800 -0.286 0.000 2.084 89 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 89 Q C 2.232 178.164 176.000 -0.112 0.000 0.978 89 Q CA 1.935 57.584 55.803 -0.256 0.000 0.844 89 Q CB -0.332 28.213 28.738 -0.322 0.000 0.898 89 Q HN 0.788 nan 8.270 nan 0.000 0.426 90 E N -0.183 119.985 120.200 -0.053 0.000 2.038 90 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 90 E C 1.702 178.319 176.600 0.028 0.000 1.000 90 E CA 1.324 57.717 56.400 -0.013 0.000 0.803 90 E CB -0.240 29.468 29.700 0.013 0.000 0.750 90 E HN 0.386 nan 8.360 nan 0.000 0.448 91 W N 2.273 123.519 121.300 -0.090 0.000 2.332 91 W HA -0.277 4.383 4.660 -0.000 0.000 0.321 91 W C 2.267 178.743 176.519 -0.072 0.000 1.219 91 W CA 2.589 59.892 57.345 -0.069 0.000 1.277 91 W CB -0.610 28.814 29.460 -0.060 0.000 1.161 91 W HN -0.025 nan 8.180 nan 0.000 0.476 92 K N 0.464 120.643 120.400 -0.368 0.000 2.089 92 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 92 K C 2.041 178.395 176.600 -0.411 0.000 1.048 92 K CA 2.397 58.320 56.287 -0.606 0.000 0.926 92 K CB -0.823 31.497 32.500 -0.299 0.000 0.714 92 K HN 0.182 nan 8.250 nan 0.000 0.448 93 A N 1.185 123.858 122.820 -0.245 0.000 1.940 93 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 93 A C 2.240 179.716 177.584 -0.179 0.000 1.176 93 A CA 2.268 54.199 52.037 -0.176 0.000 0.631 93 A CB -0.815 18.115 19.000 -0.117 0.000 0.814 93 A HN 0.693 nan 8.150 nan 0.000 0.446 94 S N -0.501 115.081 115.700 -0.197 0.000 2.371 94 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 94 S C 1.755 176.230 174.600 -0.208 0.000 1.029 94 S CA 1.263 59.367 58.200 -0.160 0.000 0.978 94 S CB -0.954 62.186 63.200 -0.101 0.000 0.833 94 S HN 0.253 nan 8.310 nan 0.000 0.466 95 V N 2.077 121.782 119.914 -0.348 0.000 2.287 95 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 95 V C 2.710 178.671 176.094 -0.222 0.000 1.053 95 V CA 1.866 63.969 62.300 -0.328 0.000 1.027 95 V CB -0.941 30.574 31.823 -0.514 0.000 0.646 95 V HN 0.475 nan 8.190 nan 0.000 0.447 96 V N -0.180 119.601 119.914 -0.221 0.000 2.261 96 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 96 V C 2.391 178.414 176.094 -0.119 0.000 1.047 96 V CA 2.210 64.418 62.300 -0.154 0.000 1.015 96 V CB -0.804 30.933 31.823 -0.143 0.000 0.642 96 V HN 0.526 nan 8.190 nan 0.000 0.446 97 K N -0.063 120.268 120.400 -0.116 0.000 2.211 97 K HA -0.236 4.084 4.320 -0.000 0.000 0.204 97 K C 2.231 178.780 176.600 -0.084 0.000 1.047 97 K CA 1.466 57.699 56.287 -0.090 0.000 0.935 97 K CB -0.193 32.260 32.500 -0.079 0.000 0.728 97 K HN 0.372 nan 8.250 nan 0.000 0.452 98 K N 1.114 121.458 120.400 -0.093 0.000 2.001 98 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 98 K C 2.042 178.596 176.600 -0.078 0.000 1.048 98 K CA 0.955 57.195 56.287 -0.078 0.000 0.932 98 K CB 0.009 32.461 32.500 -0.079 0.000 0.715 98 K HN 0.016 nan 8.250 nan 0.000 0.437 99 L N 0.276 121.447 121.223 -0.086 0.000 2.083 99 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 99 L C 2.400 179.211 176.870 -0.098 0.000 1.083 99 L CA 1.321 56.112 54.840 -0.081 0.000 0.752 99 L CB -0.619 41.397 42.059 -0.072 0.000 0.899 99 L HN 0.267 nan 8.230 nan 0.000 0.433 100 T N -0.169 114.328 114.554 -0.095 0.000 2.684 100 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 100 T C 1.868 176.501 174.700 -0.113 0.000 1.036 100 T CA 1.557 63.595 62.100 -0.103 0.000 1.148 100 T CB -0.692 68.127 68.868 -0.082 0.000 0.863 100 T HN 0.583 nan 8.240 nan 0.000 0.436 101 G N 0.886 109.631 108.800 -0.092 0.000 2.469 101 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 101 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 101 G C 1.716 176.557 174.900 -0.098 0.000 1.150 101 G CA 1.120 46.170 45.100 -0.083 0.000 0.763 101 G HN 0.585 nan 8.290 nan 0.000 0.561 102 G N 0.449 109.187 108.800 -0.105 0.000 2.446 102 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 102 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 102 G C 1.803 176.599 174.900 -0.173 0.000 1.168 102 G CA 1.363 46.396 45.100 -0.112 0.000 0.771 102 G HN 0.338 nan 8.290 nan 0.000 0.551 103 V N 0.783 120.541 119.914 -0.260 0.000 2.255 103 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 103 V C 2.595 178.528 176.094 -0.269 0.000 1.051 103 V CA 2.417 64.458 62.300 -0.432 0.000 1.018 103 V CB -0.595 30.889 31.823 -0.565 0.000 0.641 103 V HN 0.604 nan 8.190 nan 0.000 0.445 104 E N 0.174 120.267 120.200 -0.180 0.000 2.097 104 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 104 E C 2.228 178.772 176.600 -0.093 0.000 1.000 104 E CA 1.561 57.891 56.400 -0.116 0.000 0.804 104 E CB -0.511 29.138 29.700 -0.085 0.000 0.740 104 E HN 0.589 nan 8.360 nan 0.000 0.454 105 G N 1.257 110.000 108.800 -0.094 0.000 2.433 105 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 105 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 105 G C 1.503 176.365 174.900 -0.064 0.000 1.186 105 G CA 0.559 45.618 45.100 -0.068 0.000 0.779 105 G HN 0.190 nan 8.290 nan 0.000 0.543 106 L N 0.289 121.461 121.223 -0.085 0.000 2.042 106 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 106 L C 3.020 179.865 176.870 -0.041 0.000 1.076 106 L CA 1.265 56.068 54.840 -0.061 0.000 0.749 106 L CB -1.111 40.903 42.059 -0.075 0.000 0.893 106 L HN 0.243 nan 8.230 nan 0.000 0.432 107 L N -0.472 120.717 121.223 -0.058 0.000 1.961 107 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 107 L C 2.649 179.506 176.870 -0.022 0.000 1.072 107 L CA 1.468 56.291 54.840 -0.029 0.000 0.749 107 L CB -0.527 41.509 42.059 -0.038 0.000 0.889 107 L HN 0.205 nan 8.230 nan 0.000 0.432 108 K N -0.065 120.317 120.400 -0.029 0.000 2.074 108 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 108 K C 2.100 178.690 176.600 -0.015 0.000 1.048 108 K CA 1.432 57.707 56.287 -0.020 0.000 0.926 108 K CB -0.639 31.846 32.500 -0.024 0.000 0.713 108 K HN 0.460 nan 8.250 nan 0.000 0.444 109 G N 1.668 110.457 108.800 -0.019 0.000 2.440 109 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 109 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 109 G C 1.218 176.113 174.900 -0.008 0.000 1.154 109 G CA 0.671 45.763 45.100 -0.014 0.000 0.767 109 G HN 0.274 nan 8.290 nan 0.000 0.552 110 N N 0.572 119.268 118.700 -0.007 0.000 2.449 110 N HA 0.021 4.761 4.740 -0.000 0.000 0.191 110 N C 0.119 175.629 175.510 -0.001 0.000 1.161 110 N CA 0.181 53.230 53.050 -0.002 0.000 0.863 110 N CB 0.104 38.592 38.487 0.001 0.000 0.980 110 N HN 0.287 nan 8.380 nan 0.000 0.458 111 K N 0.428 120.827 120.400 -0.002 0.000 3.148 111 K HA -0.136 4.184 4.320 -0.000 0.000 0.267 111 K C -0.828 175.774 176.600 0.004 0.000 0.996 111 K CA 0.121 56.409 56.287 0.001 0.000 0.737 111 K CB -1.404 31.098 32.500 0.003 0.000 1.308 111 K HN -0.027 nan 8.250 nan 0.000 0.470 112 V N 1.171 121.086 119.914 0.002 0.000 2.498 112 V HA 0.066 4.186 4.120 -0.000 0.000 0.279 112 V C 0.883 176.980 176.094 0.004 0.000 1.048 112 V CA -0.320 61.983 62.300 0.003 0.000 0.967 112 V CB 1.502 33.327 31.823 0.003 0.000 0.988 112 V HN 0.239 nan 8.190 nan 0.000 0.473 113 E N 4.578 124.785 120.200 0.011 0.000 2.299 113 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 113 E C -0.861 175.737 176.600 -0.005 0.000 1.043 113 E CA -0.244 56.167 56.400 0.018 0.000 0.895 113 E CB 0.492 30.220 29.700 0.047 0.000 1.011 113 E HN 0.559 nan 8.360 nan 0.000 0.432 114 I N 5.232 125.797 120.570 -0.008 0.000 2.321 114 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 114 I C -0.639 175.458 176.117 -0.034 0.000 0.998 114 I CA -0.888 60.396 61.300 -0.027 0.000 1.227 114 I CB 1.550 39.535 38.000 -0.023 0.000 1.368 114 I HN 0.250 nan 8.210 nan 0.000 0.466 115 V N 6.694 126.561 119.914 -0.079 0.000 2.409 115 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 115 V C -0.048 175.994 176.094 -0.086 0.000 1.020 115 V CA -0.994 61.245 62.300 -0.101 0.000 0.848 115 V CB 1.580 33.235 31.823 -0.279 0.000 0.990 115 V HN 0.542 nan 8.190 nan 0.000 0.430 116 K N 3.759 124.133 120.400 -0.044 0.000 2.276 116 K HA 0.766 5.086 4.320 -0.000 0.000 0.285 116 K C 0.314 176.895 176.600 -0.031 0.000 1.062 116 K CA 0.003 56.270 56.287 -0.033 0.000 0.918 116 K CB 1.435 33.925 32.500 -0.015 0.000 1.055 116 K HN 1.062 nan 8.250 nan 0.000 0.477 117 G N 1.448 110.225 108.800 -0.037 0.000 2.339 117 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.302 117 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.302 117 G C -1.694 173.187 174.900 -0.032 0.000 1.425 117 G CA -0.922 44.162 45.100 -0.027 0.000 0.899 117 G HN 0.445 nan 8.290 nan 0.000 0.619 118 E N 0.241 120.432 120.200 -0.016 0.000 2.105 118 E HA 0.570 4.920 4.350 -0.000 0.000 0.285 118 E C 0.636 177.233 176.600 -0.006 0.000 1.055 118 E CA -0.274 56.120 56.400 -0.010 0.000 0.843 118 E CB 0.798 30.492 29.700 -0.009 0.000 1.067 118 E HN 0.850 nan 8.360 nan 0.000 0.398 119 A N 4.497 127.301 122.820 -0.028 0.000 2.388 119 A HA 0.288 4.608 4.320 -0.000 0.000 0.257 119 A C -1.306 176.295 177.584 0.028 0.000 1.095 119 A CA -0.191 51.804 52.037 -0.071 0.000 0.791 119 A CB 0.364 19.243 19.000 -0.202 0.000 1.029 119 A HN 0.662 nan 8.150 nan 0.000 0.489 120 Y N 1.297 121.491 120.300 -0.177 0.000 2.421 120 Y HA 0.551 5.101 4.550 -0.000 0.000 0.339 120 Y C -1.580 174.245 175.900 -0.125 0.000 0.996 120 Y CA -2.048 56.013 58.100 -0.066 0.000 1.046 120 Y CB 1.155 39.620 38.460 0.009 0.000 1.226 120 Y HN 0.563 nan 8.280 nan 0.000 0.445 121 F N 6.178 126.048 119.950 -0.133 0.000 2.438 121 F HA 0.239 4.766 4.527 -0.000 0.000 0.360 121 F C 1.084 176.647 175.800 -0.395 0.000 1.118 121 F CA -0.135 57.776 58.000 -0.150 0.000 1.164 121 F CB 0.694 39.683 39.000 -0.018 0.000 1.131 121 F HN 0.363 nan 8.300 nan 0.000 0.527 122 V N 0.673 120.501 119.914 -0.142 0.000 2.488 122 V HA -0.056 4.064 4.120 -0.000 0.000 0.246 122 V C 0.191 176.252 176.094 -0.054 0.000 1.046 122 V CA 1.285 63.487 62.300 -0.163 0.000 1.053 122 V CB -0.899 30.875 31.823 -0.082 0.000 0.679 122 V HN 0.833 nan 8.190 nan 0.000 0.458 123 D N -2.699 117.720 120.400 0.032 0.000 2.779 123 D HA 0.478 5.118 4.640 -0.000 0.000 0.331 123 D C 0.510 176.868 176.300 0.098 0.000 1.331 123 D CA -0.007 54.013 54.000 0.034 0.000 0.866 123 D CB 0.935 41.725 40.800 -0.016 0.000 1.409 123 D HN 0.001 nan 8.370 nan 0.000 0.486 124 A N -0.528 122.321 122.820 0.049 0.000 2.272 124 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 124 A C 0.969 178.558 177.584 0.009 0.000 1.183 124 A CA 0.996 53.078 52.037 0.076 0.000 0.719 124 A CB -0.801 18.216 19.000 0.029 0.000 0.771 124 A HN 0.492 nan 8.150 nan 0.000 0.484 125 N N -1.342 117.220 118.700 -0.230 0.000 2.081 125 N HA 0.064 4.804 4.740 -0.000 0.000 0.230 125 N C -1.087 173.812 175.510 -1.019 0.000 1.351 125 N CA 0.297 52.870 53.050 -0.796 0.000 0.840 125 N CB 1.205 39.443 38.487 -0.415 0.000 1.189 125 N HN 0.254 nan 8.380 nan 0.000 0.503 126 T N 0.486 114.787 114.554 -0.422 0.000 2.933 126 T HA 0.505 4.855 4.350 -0.000 0.000 0.305 126 T C -0.584 174.195 174.700 0.131 0.000 1.092 126 T CA -0.632 61.387 62.100 -0.134 0.000 1.008 126 T CB 2.685 71.499 68.868 -0.091 0.000 1.102 126 T HN -0.048 nan 8.240 nan 0.000 0.469 127 V N 0.612 120.625 119.914 0.165 0.000 2.808 127 V HA 0.864 4.984 4.120 -0.000 0.000 0.308 127 V C -0.786 175.350 176.094 0.071 0.000 1.099 127 V CA -1.391 60.914 62.300 0.008 0.000 0.920 127 V CB 2.014 33.702 31.823 -0.225 0.000 1.014 127 V HN 1.034 nan 8.190 nan 0.000 0.425 128 R N 3.140 123.670 120.500 0.050 0.000 2.514 128 R HA 0.890 5.230 4.340 -0.000 0.000 0.301 128 R C -0.846 175.522 176.300 0.114 0.000 0.962 128 R CA -0.586 55.588 56.100 0.123 0.000 0.882 128 R CB 2.101 32.474 30.300 0.122 0.000 1.143 128 R HN 1.342 nan 8.270 nan 0.000 0.452 129 V N 0.496 120.488 119.914 0.130 0.000 2.448 129 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 129 V C -0.534 175.607 176.094 0.079 0.000 1.025 129 V CA -0.747 61.592 62.300 0.065 0.000 0.859 129 V CB 1.746 33.557 31.823 -0.019 0.000 0.988 129 V HN 0.584 nan 8.190 nan 0.000 0.431 130 V N 5.693 125.638 119.914 0.051 0.000 2.370 130 V HA 0.422 4.542 4.120 -0.000 0.000 0.279 130 V C 0.422 176.530 176.094 0.024 0.000 1.029 130 V CA -0.282 62.043 62.300 0.040 0.000 0.870 130 V CB 1.129 32.967 31.823 0.025 0.000 0.984 130 V HN 1.022 nan 8.190 nan 0.000 0.451 131 N N 4.296 123.013 118.700 0.029 0.000 2.898 131 N HA 0.436 5.176 4.740 -0.000 0.000 0.245 131 N C 0.669 176.188 175.510 0.016 0.000 1.185 131 N CA 0.685 53.747 53.050 0.019 0.000 0.879 131 N CB 0.838 39.340 38.487 0.026 0.000 1.157 131 N HN 0.938 nan 8.380 nan 0.000 0.503 132 G N 3.042 111.848 108.800 0.010 0.000 2.536 132 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 132 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 132 G C 0.303 175.210 174.900 0.010 0.000 1.152 132 G CA 0.281 45.386 45.100 0.008 0.000 0.970 132 G HN 0.564 nan 8.290 nan 0.000 0.549 133 D N 1.133 121.539 120.400 0.011 0.000 2.363 133 D HA 0.237 4.877 4.640 -0.000 0.000 0.226 133 D C 1.379 177.690 176.300 0.018 0.000 1.020 133 D CA 1.172 55.180 54.000 0.013 0.000 0.892 133 D CB 0.225 41.032 40.800 0.011 0.000 0.900 133 D HN 0.421 nan 8.370 nan 0.000 0.531 134 S N -0.114 115.599 115.700 0.022 0.000 2.610 134 S HA 0.590 5.060 4.470 -0.000 0.000 0.273 134 S C -0.562 174.063 174.600 0.041 0.000 1.274 134 S CA -0.486 57.732 58.200 0.030 0.000 1.023 134 S CB 1.152 64.372 63.200 0.032 0.000 0.962 134 S HN 0.111 nan 8.310 nan 0.000 0.523 135 A N 3.325 126.174 122.820 0.049 0.000 2.509 135 A HA 0.576 4.896 4.320 -0.000 0.000 0.282 135 A C -0.949 176.677 177.584 0.069 0.000 1.054 135 A CA -0.572 51.504 52.037 0.065 0.000 0.820 135 A CB 1.349 20.384 19.000 0.059 0.000 1.333 135 A HN 0.695 nan 8.150 nan 0.000 0.409 136 Q N 0.329 120.195 119.800 0.110 0.000 2.297 136 Q HA 0.822 5.162 4.340 -0.000 0.000 0.269 136 Q C -0.686 175.386 176.000 0.121 0.000 1.051 136 Q CA -0.092 55.765 55.803 0.090 0.000 0.869 136 Q CB 1.927 30.756 28.738 0.150 0.000 1.346 136 Q HN 0.640 nan 8.270 nan 0.000 0.457 137 T N 2.099 116.644 114.554 -0.014 0.000 2.815 137 T HA 0.468 4.818 4.350 -0.000 0.000 0.289 137 T C -1.341 173.310 174.700 -0.082 0.000 1.000 137 T CA -0.380 61.741 62.100 0.035 0.000 0.958 137 T CB 0.182 69.052 68.868 0.005 0.000 0.944 137 T HN 0.316 nan 8.240 nan 0.000 0.442 138 Y N 1.807 122.128 120.300 0.036 0.000 2.331 138 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 138 Y C 1.007 176.966 175.900 0.097 0.000 0.976 138 Y CA -0.923 57.218 58.100 0.068 0.000 1.137 138 Y CB 1.050 39.561 38.460 0.084 0.000 1.172 138 Y HN 0.522 nan 8.280 nan 0.000 0.478 139 T N 5.623 120.257 114.554 0.133 0.000 2.799 139 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 139 T C -0.633 174.137 174.700 0.116 0.000 0.973 139 T CA -0.499 61.610 62.100 0.015 0.000 1.035 139 T CB 0.039 68.881 68.868 -0.045 0.000 0.932 139 T HN 0.431 nan 8.240 nan 0.000 0.469 140 F N -0.002 119.998 119.950 0.083 0.000 2.640 140 F HA 0.720 5.247 4.527 -0.000 0.000 0.324 140 F C 0.662 176.508 175.800 0.077 0.000 1.077 140 F CA -1.507 56.544 58.000 0.085 0.000 0.965 140 F CB 1.455 40.515 39.000 0.099 0.000 1.351 140 F HN 0.267 nan 8.300 nan 0.000 0.487 141 K N 0.154 120.770 120.400 0.361 0.000 2.063 141 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 141 K C -0.353 176.489 176.600 0.403 0.000 1.039 141 K CA 0.872 57.304 56.287 0.243 0.000 0.957 141 K CB -0.091 32.509 32.500 0.165 0.000 0.764 141 K HN 0.786 nan 8.250 nan 0.000 0.447 142 N N -0.190 118.784 118.700 0.457 0.000 2.284 142 N HA 0.566 5.306 4.740 -0.000 0.000 0.289 142 N C -1.618 173.994 175.510 0.171 0.000 1.179 142 N CA -0.807 52.478 53.050 0.392 0.000 0.774 142 N CB 2.425 41.076 38.487 0.273 0.000 1.548 142 N HN -0.053 nan 8.380 nan 0.000 0.473 143 A N 0.932 123.776 122.820 0.041 0.000 2.454 143 A HA 0.737 5.057 4.320 -0.000 0.000 0.302 143 A C -1.117 176.482 177.584 0.025 0.000 1.079 143 A CA -0.740 51.159 52.037 -0.231 0.000 0.731 143 A CB 1.310 19.886 19.000 -0.707 0.000 1.299 143 A HN 0.669 nan 8.150 nan 0.000 0.413 144 I N 1.911 122.472 120.570 -0.014 0.000 2.410 144 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 144 I C -0.919 175.232 176.117 0.057 0.000 1.009 144 I CA -0.213 61.117 61.300 0.049 0.000 1.111 144 I CB 1.641 39.629 38.000 -0.021 0.000 1.262 144 I HN 0.470 nan 8.210 nan 0.000 0.443 145 I N 5.970 126.589 120.570 0.083 0.000 2.297 145 I HA 0.455 4.624 4.170 -0.000 0.000 0.291 145 I C 0.489 176.647 176.117 0.067 0.000 1.033 145 I CA -0.189 61.170 61.300 0.099 0.000 1.253 145 I CB 1.332 39.372 38.000 0.066 0.000 1.396 145 I HN 0.655 nan 8.210 nan 0.000 0.476 146 A N 3.784 126.640 122.820 0.060 0.000 3.297 146 A HA 0.301 4.621 4.320 -0.000 0.000 0.304 146 A C 1.021 178.633 177.584 0.048 0.000 0.963 146 A CA -0.426 51.636 52.037 0.042 0.000 0.935 146 A CB -0.346 18.666 19.000 0.019 0.000 1.093 146 A HN 0.768 nan 8.150 nan 0.000 0.480 147 T N -2.547 112.044 114.554 0.062 0.000 3.085 147 T HA 0.393 4.742 4.350 -0.000 0.000 0.263 147 T C 1.396 176.127 174.700 0.052 0.000 1.127 147 T CA 1.001 63.139 62.100 0.063 0.000 1.103 147 T CB -0.353 68.565 68.868 0.084 0.000 0.921 147 T HN 2.038 nan 8.240 nan 0.000 0.510 148 G N 1.490 110.319 108.800 0.048 0.000 2.562 148 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.250 148 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.250 148 G C -0.032 174.896 174.900 0.047 0.000 1.269 148 G CA 0.224 45.351 45.100 0.046 0.000 0.919 148 G HN 1.571 nan 8.290 nan 0.000 0.574 149 S N -1.098 114.629 115.700 0.046 0.000 2.806 149 S HA 0.924 5.394 4.470 -0.000 0.000 0.306 149 S C -0.401 174.223 174.600 0.041 0.000 1.167 149 S CA 0.275 58.502 58.200 0.045 0.000 0.847 149 S CB 2.384 65.613 63.200 0.048 0.000 1.216 149 S HN 1.947 nan 8.310 nan 0.000 0.532 150 R N -1.379 119.146 120.500 0.043 0.000 2.734 150 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 150 R C -3.548 172.784 176.300 0.053 0.000 1.021 150 R CA -2.052 54.073 56.100 0.041 0.000 0.893 150 R CB 0.409 30.736 30.300 0.044 0.000 1.244 150 R HN 0.359 nan 8.270 nan 0.000 0.464 151 P HA 0.080 nan 4.420 nan 0.000 0.269 151 P C -0.506 176.894 177.300 0.166 0.000 1.209 151 P CA -0.061 63.102 63.100 0.104 0.000 0.776 151 P CB 0.478 32.228 31.700 0.084 0.000 0.876 152 I N 1.929 122.587 120.570 0.148 0.000 2.395 152 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 152 I C 1.014 177.203 176.117 0.121 0.000 1.023 152 I CA -0.226 61.138 61.300 0.107 0.000 1.350 152 I CB 0.603 38.634 38.000 0.051 0.000 1.409 152 I HN 0.355 nan 8.210 nan 0.000 0.507 153 E N 6.736 126.954 120.200 0.030 0.000 2.115 153 E HA 0.238 4.588 4.350 -0.000 0.000 0.282 153 E C -1.043 175.449 176.600 -0.180 0.000 0.987 153 E CA -0.938 55.314 56.400 -0.247 0.000 0.797 153 E CB 1.164 30.721 29.700 -0.239 0.000 1.086 153 E HN 0.344 nan 8.360 nan 0.000 0.397 154 L N 7.108 128.206 121.223 -0.207 0.000 2.456 154 L HA 0.135 4.475 4.340 -0.000 0.000 0.272 154 L C -1.646 175.235 176.870 0.019 0.000 1.189 154 L CA -1.395 53.410 54.840 -0.058 0.000 0.846 154 L CB 0.559 42.569 42.059 -0.081 0.000 1.111 154 L HN 0.634 nan 8.230 nan 0.000 0.475 155 P HA -0.214 nan 4.420 nan 0.000 0.218 155 P C 0.336 177.650 177.300 0.024 0.000 1.165 155 P CA 1.685 64.806 63.100 0.034 0.000 0.922 155 P CB 0.162 31.889 31.700 0.044 0.000 0.794 156 N N -2.101 116.633 118.700 0.057 0.000 2.251 156 N HA 0.115 4.855 4.740 -0.000 0.000 0.217 156 N C -0.492 174.843 175.510 -0.292 0.000 1.124 156 N CA 0.208 53.188 53.050 -0.116 0.000 0.843 156 N CB 0.027 38.401 38.487 -0.189 0.000 1.024 156 N HN 0.173 nan 8.380 nan 0.000 0.501 157 F N 1.152 121.030 119.950 -0.120 0.000 2.389 157 F HA 0.274 4.801 4.527 -0.000 0.000 0.327 157 F C 0.702 176.343 175.800 -0.265 0.000 1.204 157 F CA -0.875 57.035 58.000 -0.150 0.000 1.209 157 F CB 0.657 39.566 39.000 -0.151 0.000 1.460 157 F HN -0.320 nan 8.300 nan 0.000 0.537 158 K N 2.221 122.580 120.400 -0.068 0.000 2.383 158 K HA 0.179 4.499 4.320 -0.000 0.000 0.286 158 K C -0.251 176.357 176.600 0.013 0.000 1.051 158 K CA -0.366 55.871 56.287 -0.083 0.000 0.974 158 K CB 0.347 32.830 32.500 -0.029 0.000 0.968 158 K HN 0.097 nan 8.250 nan 0.000 0.475 159 F N 2.564 122.561 119.950 0.079 0.000 2.629 159 F HA -0.043 4.484 4.527 -0.000 0.000 0.377 159 F C 1.216 177.050 175.800 0.056 0.000 1.101 159 F CA 0.534 58.576 58.000 0.070 0.000 1.301 159 F CB 0.431 39.462 39.000 0.053 0.000 1.062 159 F HN 0.685 nan 8.300 nan 0.000 0.583 160 S N 1.132 117.004 115.700 0.286 0.000 2.800 160 S HA 0.351 4.821 4.470 -0.000 0.000 0.293 160 S C 0.171 174.859 174.600 0.148 0.000 1.209 160 S CA -0.960 57.340 58.200 0.167 0.000 0.884 160 S CB 1.043 64.319 63.200 0.127 0.000 1.244 160 S HN 0.340 nan 8.310 nan 0.000 0.540 161 N N 0.282 119.055 118.700 0.121 0.000 2.550 161 N HA 0.168 4.908 4.740 -0.000 0.000 0.186 161 N C 1.077 176.727 175.510 0.233 0.000 1.110 161 N CA 0.434 53.565 53.050 0.134 0.000 0.912 161 N CB -0.349 38.206 38.487 0.113 0.000 0.968 161 N HN 0.441 nan 8.380 nan 0.000 0.448 162 R N -0.658 119.976 120.500 0.223 0.000 2.394 162 R HA 0.336 4.676 4.340 -0.000 0.000 0.220 162 R C -0.034 176.431 176.300 0.274 0.000 0.887 162 R CA 0.063 56.337 56.100 0.289 0.000 1.034 162 R CB 1.166 31.515 30.300 0.081 0.000 1.179 162 R HN 0.089 nan 8.270 nan 0.000 0.561 163 I N 3.051 123.771 120.570 0.249 0.000 2.412 163 I HA 0.234 4.404 4.170 -0.000 0.000 0.279 163 I C -0.384 175.964 176.117 0.385 0.000 1.063 163 I CA -0.400 61.085 61.300 0.308 0.000 1.193 163 I CB 0.952 39.131 38.000 0.298 0.000 1.370 163 I HN -0.131 nan 8.210 nan 0.000 0.479 164 L N 4.684 126.051 121.223 0.241 0.000 2.439 164 L HA 0.461 4.801 4.340 -0.000 0.000 0.259 164 L C -0.077 176.754 176.870 -0.065 0.000 1.129 164 L CA -0.772 54.095 54.840 0.044 0.000 0.803 164 L CB 0.478 42.522 42.059 -0.025 0.000 1.161 164 L HN 0.477 nan 8.230 nan 0.000 0.462 165 D N -1.414 118.740 120.400 -0.410 0.000 2.414 165 D HA 0.235 4.875 4.640 -0.000 0.000 0.241 165 D C 0.795 176.974 176.300 -0.201 0.000 1.008 165 D CA -0.386 53.344 54.000 -0.449 0.000 1.001 165 D CB 1.145 41.414 40.800 -0.885 0.000 1.277 165 D HN 0.519 nan 8.370 nan 0.000 0.538 166 S N 0.071 115.697 115.700 -0.123 0.000 2.381 166 S HA -0.315 4.155 4.470 -0.000 0.000 0.230 166 S C 1.759 176.323 174.600 -0.061 0.000 1.052 166 S CA 2.133 60.294 58.200 -0.065 0.000 1.068 166 S CB -1.543 61.623 63.200 -0.056 0.000 0.918 166 S HN 0.631 nan 8.310 nan 0.000 0.448 167 T N 1.851 116.348 114.554 -0.095 0.000 2.759 167 T HA 0.012 4.362 4.350 -0.000 0.000 0.269 167 T C 2.005 176.657 174.700 -0.080 0.000 1.042 167 T CA 1.453 63.505 62.100 -0.080 0.000 1.140 167 T CB -1.144 67.665 68.868 -0.097 0.000 0.864 167 T HN 0.692 nan 8.240 nan 0.000 0.455 168 G N 0.844 109.571 108.800 -0.121 0.000 2.408 168 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.217 168 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.217 168 G C 1.789 176.638 174.900 -0.086 0.000 1.150 168 G CA 0.827 45.861 45.100 -0.109 0.000 0.776 168 G HN 0.579 nan 8.290 nan 0.000 0.542 169 A N 0.526 123.310 122.820 -0.060 0.000 1.929 169 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 169 A C 2.355 180.028 177.584 0.148 0.000 1.176 169 A CA 0.897 52.928 52.037 -0.010 0.000 0.628 169 A CB -0.318 18.704 19.000 0.037 0.000 0.816 169 A HN 0.340 nan 8.150 nan 0.000 0.444 170 L N -0.586 120.699 121.223 0.103 0.000 2.275 170 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 170 L C 1.239 178.148 176.870 0.065 0.000 1.119 170 L CA 1.189 56.093 54.840 0.107 0.000 0.790 170 L CB -0.457 41.623 42.059 0.034 0.000 0.919 170 L HN 0.496 nan 8.230 nan 0.000 0.443 171 N N -0.637 118.081 118.700 0.029 0.000 2.214 171 N HA 0.115 4.855 4.740 -0.000 0.000 0.214 171 N C -0.217 175.305 175.510 0.020 0.000 1.132 171 N CA -0.556 52.492 53.050 -0.003 0.000 0.856 171 N CB 0.608 39.077 38.487 -0.030 0.000 1.020 171 N HN 0.025 nan 8.380 nan 0.000 0.509 172 L N 1.029 122.301 121.223 0.082 0.000 2.525 172 L HA 0.031 4.371 4.340 -0.000 0.000 0.278 172 L C 1.683 178.679 176.870 0.211 0.000 1.218 172 L CA 0.608 55.489 54.840 0.068 0.000 0.878 172 L CB 0.496 42.560 42.059 0.008 0.000 1.127 172 L HN 0.150 nan 8.230 nan 0.000 0.492 173 G N 2.359 111.233 108.800 0.123 0.000 2.572 173 G HA2 0.070 4.030 3.960 -0.000 0.000 0.216 173 G HA3 0.070 4.030 3.960 -0.000 0.000 0.216 173 G C 0.055 175.128 174.900 0.290 0.000 1.133 173 G CA 0.492 45.685 45.100 0.156 0.000 0.791 173 G HN 0.692 nan 8.290 nan 0.000 0.538 174 E N -1.662 118.689 120.200 0.252 0.000 2.445 174 E HA 0.504 4.854 4.350 -0.000 0.000 0.279 174 E C -1.290 175.125 176.600 -0.309 0.000 1.018 174 E CA -1.018 55.426 56.400 0.072 0.000 0.816 174 E CB 1.277 30.996 29.700 0.032 0.000 1.356 174 E HN -0.157 nan 8.360 nan 0.000 0.462 175 V N 2.404 121.991 119.914 -0.546 0.000 2.415 175 V HA 0.268 4.387 4.120 -0.000 0.000 0.267 175 V C -2.006 173.973 176.094 -0.191 0.000 1.042 175 V CA -1.204 60.789 62.300 -0.513 0.000 1.000 175 V CB 0.099 31.610 31.823 -0.520 0.000 1.015 175 V HN 0.584 nan 8.190 nan 0.000 0.478 176 P HA 0.049 nan 4.420 nan 0.000 0.267 176 P C 0.815 178.124 177.300 0.014 0.000 1.200 176 P CA -0.208 62.898 63.100 0.010 0.000 0.772 176 P CB 0.637 32.328 31.700 -0.014 0.000 0.855 177 K N 1.508 121.928 120.400 0.033 0.000 2.097 177 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 177 K C 0.091 176.707 176.600 0.026 0.000 1.050 177 K CA 1.350 57.648 56.287 0.019 0.000 0.938 177 K CB -0.044 32.460 32.500 0.006 0.000 0.718 177 K HN 0.630 nan 8.250 nan 0.000 0.442 178 S N -0.382 115.337 115.700 0.030 0.000 2.537 178 S HA 0.567 5.037 4.470 -0.000 0.000 0.271 178 S C -1.224 173.400 174.600 0.041 0.000 1.148 178 S CA -1.199 57.019 58.200 0.030 0.000 0.868 178 S CB 1.867 65.079 63.200 0.019 0.000 1.115 178 S HN 0.103 nan 8.310 nan 0.000 0.461 179 L N 1.709 122.951 121.223 0.030 0.000 2.431 179 L HA 0.812 5.152 4.340 -0.000 0.000 0.266 179 L C -1.730 175.153 176.870 0.021 0.000 0.978 179 L CA -0.497 54.359 54.840 0.028 0.000 0.822 179 L CB 2.155 44.196 42.059 -0.031 0.000 1.310 179 L HN 0.698 nan 8.230 nan 0.000 0.409 180 V N 5.356 125.287 119.914 0.027 0.000 2.347 180 V HA 0.456 4.576 4.120 -0.000 0.000 0.280 180 V C -0.360 175.728 176.094 -0.009 0.000 1.021 180 V CA -0.689 61.612 62.300 0.001 0.000 0.847 180 V CB 1.533 33.362 31.823 0.010 0.000 0.990 180 V HN 0.511 nan 8.190 nan 0.000 0.444 181 V N 6.796 126.692 119.914 -0.030 0.000 2.364 181 V HA 0.411 4.531 4.120 -0.000 0.000 0.272 181 V C 0.096 176.143 176.094 -0.079 0.000 1.036 181 V CA -0.255 62.023 62.300 -0.036 0.000 0.880 181 V CB 1.332 33.147 31.823 -0.014 0.000 0.991 181 V HN 0.686 nan 8.190 nan 0.000 0.460 182 I N 5.015 125.520 120.570 -0.107 0.000 2.287 182 I HA 0.644 4.814 4.170 -0.000 0.000 0.290 182 I C 0.749 176.792 176.117 -0.123 0.000 1.069 182 I CA 0.141 61.343 61.300 -0.164 0.000 1.237 182 I CB 0.967 38.782 38.000 -0.308 0.000 1.418 182 I HN 0.862 nan 8.210 nan 0.000 0.481 183 G N 3.639 112.383 108.800 -0.093 0.000 3.071 183 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.620 183 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.620 183 G C 0.010 174.884 174.900 -0.042 0.000 1.204 183 G CA -0.624 44.437 45.100 -0.065 0.000 1.200 183 G HN 0.876 nan 8.290 nan 0.000 0.530 184 G N 0.705 109.489 108.800 -0.026 0.000 3.581 184 G HA2 0.625 4.585 3.960 -0.000 0.000 0.255 184 G HA3 0.625 4.585 3.960 -0.000 0.000 0.255 184 G C 0.843 175.756 174.900 0.022 0.000 1.121 184 G CA 0.805 45.902 45.100 -0.005 0.000 1.739 184 G HN 1.134 nan 8.290 nan 0.000 0.646 185 G N -0.376 108.432 108.800 0.013 0.000 2.568 185 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 185 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 185 G C 0.837 175.784 174.900 0.078 0.000 1.347 185 G CA -0.360 44.775 45.100 0.057 0.000 1.039 185 G HN 0.360 nan 8.290 nan 0.000 0.523 186 Y N -0.803 119.555 120.300 0.097 0.000 2.128 186 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 186 Y C 2.313 178.253 175.900 0.066 0.000 1.154 186 Y CA 1.702 59.850 58.100 0.079 0.000 1.149 186 Y CB -0.519 38.011 38.460 0.117 0.000 0.976 186 Y HN 0.218 nan 8.280 nan 0.000 0.505 187 I N 1.060 121.278 120.570 -0.587 0.000 2.226 187 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 187 I C 2.781 178.827 176.117 -0.118 0.000 1.100 187 I CA 1.517 62.589 61.300 -0.381 0.000 1.374 187 I CB -1.022 36.694 38.000 -0.474 0.000 1.057 187 I HN 0.514 nan 8.210 nan 0.000 0.413 188 G N 1.228 109.970 108.800 -0.097 0.000 2.408 188 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 188 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 188 G C 1.571 176.476 174.900 0.008 0.000 1.150 188 G CA 0.318 45.398 45.100 -0.032 0.000 0.776 188 G HN 0.158 nan 8.290 nan 0.000 0.542 189 I N 1.041 121.624 120.570 0.021 0.000 2.353 189 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 189 I C 2.521 178.671 176.117 0.054 0.000 1.119 189 I CA 0.743 62.064 61.300 0.036 0.000 1.417 189 I CB -1.062 36.961 38.000 0.037 0.000 1.078 189 I HN 0.319 nan 8.210 nan 0.000 0.421 190 E N 0.336 120.584 120.200 0.080 0.000 2.028 190 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 190 E C 2.197 178.842 176.600 0.076 0.000 0.988 190 E CA 0.991 57.452 56.400 0.101 0.000 0.799 190 E CB -0.087 29.710 29.700 0.161 0.000 0.755 190 E HN 0.199 nan 8.360 nan 0.000 0.447 191 L N 0.318 121.592 121.223 0.086 0.000 2.141 191 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 191 L C 2.307 179.296 176.870 0.197 0.000 1.094 191 L CA 1.666 56.592 54.840 0.143 0.000 0.763 191 L CB -0.907 41.249 42.059 0.161 0.000 0.908 191 L HN 0.160 nan 8.230 nan 0.000 0.437 192 G N -1.778 107.097 108.800 0.125 0.000 2.404 192 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.215 192 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.215 192 G C 1.570 176.526 174.900 0.093 0.000 1.174 192 G CA 1.198 46.368 45.100 0.117 0.000 0.780 192 G HN 0.348 nan 8.290 nan 0.000 0.537 193 T N 1.752 116.334 114.554 0.047 0.000 2.746 193 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 193 T C 2.825 177.492 174.700 -0.055 0.000 1.039 193 T CA 1.502 63.606 62.100 0.008 0.000 1.142 193 T CB -0.415 68.462 68.868 0.015 0.000 0.866 193 T HN 0.368 nan 8.240 nan 0.000 0.444 194 A N 0.811 123.574 122.820 -0.095 0.000 1.873 194 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 194 A C 2.059 179.374 177.584 -0.448 0.000 1.193 194 A CA 1.703 53.548 52.037 -0.320 0.000 0.629 194 A CB -1.233 17.581 19.000 -0.310 0.000 0.826 194 A HN 0.559 nan 8.150 nan 0.000 0.447 195 Y N -0.159 120.119 120.300 -0.036 0.000 2.333 195 Y HA -0.026 4.524 4.550 -0.000 0.000 0.290 195 Y C 2.818 178.728 175.900 0.016 0.000 1.144 195 Y CA 0.676 58.813 58.100 0.062 0.000 1.228 195 Y CB -0.475 38.036 38.460 0.086 0.000 0.985 195 Y HN 0.344 nan 8.280 nan 0.000 0.542 196 A N 0.089 122.963 122.820 0.090 0.000 1.969 196 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 196 A C 2.068 179.661 177.584 0.015 0.000 1.169 196 A CA 1.613 53.683 52.037 0.054 0.000 0.635 196 A CB -0.474 18.540 19.000 0.023 0.000 0.810 196 A HN 0.394 nan 8.150 nan 0.000 0.445 197 N N -0.549 118.093 118.700 -0.096 0.000 2.142 197 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 197 N C 1.060 176.620 175.510 0.083 0.000 1.023 197 N CA 1.144 54.128 53.050 -0.110 0.000 0.852 197 N CB -0.487 37.813 38.487 -0.311 0.000 0.998 197 N HN 0.446 nan 8.380 nan 0.000 0.424 198 F N 0.037 120.017 119.950 0.050 0.000 2.604 198 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 198 F C 1.945 177.735 175.800 -0.017 0.000 1.131 198 F CA 0.682 58.611 58.000 -0.119 0.000 1.457 198 F CB -0.459 38.401 39.000 -0.233 0.000 1.095 198 F HN 0.179 nan 8.300 nan 0.000 0.574 199 G N -0.870 108.074 108.800 0.240 0.000 2.229 199 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.189 199 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.189 199 G C 0.419 175.394 174.900 0.126 0.000 1.000 199 G CA -0.048 45.161 45.100 0.182 0.000 0.663 199 G HN 0.218 nan 8.290 nan 0.000 0.493 200 T N 2.275 116.914 114.554 0.142 0.000 2.930 200 T HA 0.409 4.759 4.350 -0.000 0.000 0.306 200 T C 0.385 175.133 174.700 0.081 0.000 1.045 200 T CA 0.217 62.380 62.100 0.106 0.000 1.134 200 T CB 1.419 70.368 68.868 0.135 0.000 0.961 200 T HN 0.158 nan 8.240 nan 0.000 0.545 201 K N 3.556 123.989 120.400 0.055 0.000 2.338 201 K HA 0.275 4.595 4.320 -0.000 0.000 0.290 201 K C -1.029 175.595 176.600 0.039 0.000 1.069 201 K CA -0.164 56.149 56.287 0.043 0.000 0.941 201 K CB -0.036 32.483 32.500 0.033 0.000 1.023 201 K HN 0.354 nan 8.250 nan 0.000 0.477 202 V N 3.909 123.846 119.914 0.038 0.000 2.459 202 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 202 V C -0.123 175.978 176.094 0.011 0.000 1.029 202 V CA -0.665 61.654 62.300 0.032 0.000 0.874 202 V CB 2.054 33.907 31.823 0.050 0.000 0.985 202 V HN 0.721 nan 8.190 nan 0.000 0.438 203 T N 6.051 120.602 114.554 -0.005 0.000 2.812 203 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 203 T C -0.416 174.251 174.700 -0.054 0.000 0.990 203 T CA -0.206 61.874 62.100 -0.033 0.000 0.960 203 T CB 1.129 69.966 68.868 -0.051 0.000 0.948 203 T HN 0.362 nan 8.240 nan 0.000 0.438 204 I N 3.669 124.204 120.570 -0.059 0.000 2.377 204 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 204 I C -0.561 175.492 176.117 -0.107 0.000 0.987 204 I CA -0.908 60.352 61.300 -0.066 0.000 1.185 204 I CB 1.450 39.428 38.000 -0.036 0.000 1.341 204 I HN 0.352 nan 8.210 nan 0.000 0.455 205 L N 5.854 126.997 121.223 -0.133 0.000 2.318 205 L HA 0.445 4.784 4.340 -0.000 0.000 0.277 205 L C -0.505 176.306 176.870 -0.099 0.000 1.008 205 L CA -0.493 54.247 54.840 -0.166 0.000 0.846 205 L CB 1.502 43.399 42.059 -0.269 0.000 1.220 205 L HN 0.534 nan 8.230 nan 0.000 0.423 206 E N 1.538 121.702 120.200 -0.059 0.000 2.166 206 E HA 0.430 4.780 4.350 -0.000 0.000 0.275 206 E C 0.894 177.485 176.600 -0.015 0.000 0.941 206 E CA -0.282 56.098 56.400 -0.034 0.000 0.784 206 E CB 2.038 31.728 29.700 -0.017 0.000 1.115 206 E HN 0.510 nan 8.360 nan 0.000 0.399 207 G N 3.313 112.106 108.800 -0.013 0.000 2.421 207 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.217 207 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.217 207 G C 0.736 175.641 174.900 0.008 0.000 1.143 207 G CA 0.564 45.666 45.100 0.004 0.000 0.784 207 G HN 0.687 nan 8.290 nan 0.000 0.541 208 A N -0.282 122.539 122.820 0.002 0.000 2.262 208 A HA 0.562 4.882 4.320 -0.000 0.000 0.273 208 A C 1.914 179.502 177.584 0.006 0.000 1.202 208 A CA 0.497 52.535 52.037 0.002 0.000 0.811 208 A CB 0.073 19.072 19.000 -0.002 0.000 1.159 208 A HN 0.479 nan 8.150 nan 0.000 0.505 209 G N -1.825 106.978 108.800 0.005 0.000 2.623 209 G HA2 0.337 4.297 3.960 -0.000 0.000 0.214 209 G HA3 0.337 4.297 3.960 -0.000 0.000 0.214 209 G C 0.324 175.229 174.900 0.008 0.000 1.138 209 G CA 1.170 46.275 45.100 0.008 0.000 0.794 209 G HN 0.708 nan 8.290 nan 0.000 0.535 210 E N -0.281 119.923 120.200 0.007 0.000 2.343 210 E HA 0.426 4.776 4.350 -0.000 0.000 0.278 210 E C 0.109 176.719 176.600 0.017 0.000 0.910 210 E CA -0.935 55.472 56.400 0.012 0.000 0.757 210 E CB 1.477 31.185 29.700 0.013 0.000 1.218 210 E HN 0.159 nan 8.360 nan 0.000 0.435 211 I N 0.294 120.876 120.570 0.021 0.000 3.138 211 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 211 I C -0.087 176.066 176.117 0.060 0.000 1.148 211 I CA -0.882 60.435 61.300 0.030 0.000 1.315 211 I CB 0.282 38.294 38.000 0.020 0.000 1.426 211 I HN 0.551 nan 8.210 nan 0.000 0.615 212 L N 3.268 124.548 121.223 0.096 0.000 3.677 212 L HA -0.232 4.108 4.340 -0.000 0.000 0.464 212 L C 1.561 178.550 176.870 0.200 0.000 1.278 212 L CA 1.105 56.067 54.840 0.203 0.000 0.806 212 L CB -2.328 39.829 42.059 0.164 0.000 1.610 212 L HN 0.901 nan 8.230 nan 0.000 0.867 213 S N -0.447 115.312 115.700 0.098 0.000 2.389 213 S HA -0.216 4.254 4.470 -0.000 0.000 0.231 213 S C 1.693 176.243 174.600 -0.084 0.000 1.052 213 S CA 1.734 59.939 58.200 0.009 0.000 1.053 213 S CB -0.236 62.961 63.200 -0.006 0.000 0.886 213 S HN 0.844 nan 8.310 nan 0.000 0.456 214 G N -0.361 108.364 108.800 -0.125 0.000 2.956 214 G HA2 0.310 4.269 3.960 -0.000 0.000 0.207 214 G HA3 0.310 4.269 3.960 -0.000 0.000 0.207 214 G C 0.006 174.423 174.900 -0.805 0.000 1.162 214 G CA -0.074 44.770 45.100 -0.426 0.000 0.796 214 G HN 0.325 nan 8.290 nan 0.000 0.527 215 F N -0.389 119.408 119.950 -0.255 0.000 2.579 215 F HA 0.392 4.919 4.527 -0.000 0.000 0.324 215 F C 0.513 176.167 175.800 -0.242 0.000 1.058 215 F CA -1.300 56.564 58.000 -0.226 0.000 0.944 215 F CB 1.177 40.206 39.000 0.049 0.000 1.245 215 F HN -0.111 nan 8.300 nan 0.000 0.477 216 E N 1.187 121.463 120.200 0.127 0.000 2.481 216 E HA -0.094 4.256 4.350 -0.000 0.000 0.263 216 E C 0.760 177.436 176.600 0.128 0.000 0.992 216 E CA 0.122 56.601 56.400 0.131 0.000 0.938 216 E CB 0.727 30.622 29.700 0.325 0.000 0.933 216 E HN 0.578 nan 8.360 nan 0.000 0.453 217 K N 2.741 123.184 120.400 0.072 0.000 2.147 217 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 217 K C 1.706 178.361 176.600 0.092 0.000 1.049 217 K CA 1.361 57.685 56.287 0.062 0.000 0.936 217 K CB 0.160 32.680 32.500 0.033 0.000 0.722 217 K HN 0.452 nan 8.250 nan 0.000 0.446 218 Q N -0.077 119.803 119.800 0.133 0.000 2.050 218 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 218 Q C 2.222 178.358 176.000 0.227 0.000 0.980 218 Q CA 1.809 57.717 55.803 0.175 0.000 0.840 218 Q CB -0.084 28.771 28.738 0.196 0.000 0.898 218 Q HN 0.405 nan 8.270 nan 0.000 0.424 219 M N 0.015 119.767 119.600 0.253 0.000 2.080 219 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 219 M C 2.428 178.742 176.300 0.023 0.000 1.068 219 M CA 1.524 56.886 55.300 0.104 0.000 1.109 219 M CB -0.566 32.081 32.600 0.079 0.000 1.342 219 M HN 0.220 nan 8.290 nan 0.000 0.405 220 A N 0.602 123.452 122.820 0.050 0.000 1.902 220 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 220 A C 2.439 180.032 177.584 0.016 0.000 1.181 220 A CA 1.950 53.999 52.037 0.020 0.000 0.623 220 A CB -0.921 18.105 19.000 0.043 0.000 0.818 220 A HN 0.512 nan 8.150 nan 0.000 0.443 221 A N 0.029 122.872 122.820 0.038 0.000 1.917 221 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 221 A C 2.121 179.715 177.584 0.018 0.000 1.182 221 A CA 1.708 53.764 52.037 0.031 0.000 0.633 221 A CB -0.629 18.399 19.000 0.046 0.000 0.819 221 A HN 0.533 nan 8.150 nan 0.000 0.448 222 I N -0.673 119.908 120.570 0.018 0.000 2.202 222 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 222 I C 2.293 178.388 176.117 -0.038 0.000 1.091 222 I CA 1.220 62.514 61.300 -0.009 0.000 1.368 222 I CB -0.311 37.674 38.000 -0.025 0.000 1.058 222 I HN 0.278 nan 8.210 nan 0.000 0.410 223 I N 0.664 121.203 120.570 -0.052 0.000 2.286 223 I HA -0.300 3.869 4.170 -0.000 0.000 0.248 223 I C 2.555 178.651 176.117 -0.035 0.000 1.115 223 I CA 1.437 62.702 61.300 -0.059 0.000 1.392 223 I CB -0.250 37.702 38.000 -0.080 0.000 1.065 223 I HN 0.170 nan 8.210 nan 0.000 0.418 224 K N 1.094 121.481 120.400 -0.021 0.000 2.057 224 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 224 K C 2.193 178.785 176.600 -0.013 0.000 1.050 224 K CA 1.201 57.480 56.287 -0.012 0.000 0.935 224 K CB -0.023 32.475 32.500 -0.003 0.000 0.715 224 K HN 0.069 nan 8.250 nan 0.000 0.439 225 K N 0.533 120.926 120.400 -0.013 0.000 2.152 225 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 225 K C 1.880 178.466 176.600 -0.023 0.000 1.048 225 K CA 1.348 57.627 56.287 -0.014 0.000 0.933 225 K CB 0.077 32.571 32.500 -0.010 0.000 0.721 225 K HN 0.070 nan 8.250 nan 0.000 0.447 226 R N 0.180 120.662 120.500 -0.030 0.000 2.161 226 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 226 R C 2.368 178.644 176.300 -0.039 0.000 1.055 226 R CA 0.567 56.643 56.100 -0.039 0.000 0.996 226 R CB -0.099 30.176 30.300 -0.043 0.000 0.901 226 R HN 0.242 nan 8.270 nan 0.000 0.456 227 L N 0.565 121.770 121.223 -0.029 0.000 2.027 227 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 227 L C 2.239 179.095 176.870 -0.022 0.000 1.074 227 L CA 1.276 56.102 54.840 -0.023 0.000 0.745 227 L CB -0.297 41.754 42.059 -0.015 0.000 0.898 227 L HN -0.025 nan 8.230 nan 0.000 0.433 228 K N 0.610 120.999 120.400 -0.018 0.000 2.063 228 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 228 K C 1.996 178.583 176.600 -0.022 0.000 1.048 228 K CA 1.465 57.743 56.287 -0.014 0.000 0.928 228 K CB -0.189 32.305 32.500 -0.010 0.000 0.713 228 K HN 0.144 nan 8.250 nan 0.000 0.442 229 K N 0.306 120.687 120.400 -0.033 0.000 2.113 229 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 229 K C 1.706 178.271 176.600 -0.059 0.000 1.047 229 K CA 1.524 57.783 56.287 -0.046 0.000 0.928 229 K CB -0.077 32.387 32.500 -0.060 0.000 0.716 229 K HN 0.107 nan 8.250 nan 0.000 0.446 230 K N -0.625 119.740 120.400 -0.058 0.000 2.486 230 K HA 0.007 4.327 4.320 -0.000 0.000 0.194 230 K C 0.786 177.371 176.600 -0.025 0.000 1.033 230 K CA 0.589 56.840 56.287 -0.059 0.000 1.004 230 K CB 0.466 32.932 32.500 -0.057 0.000 0.798 230 K HN 0.380 nan 8.250 nan 0.000 0.495 231 G N 1.160 109.951 108.800 -0.016 0.000 2.132 231 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.228 231 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.228 231 G C -0.070 174.833 174.900 0.005 0.000 1.000 231 G CA -0.269 44.830 45.100 -0.001 0.000 0.693 231 G HN 0.098 nan 8.290 nan 0.000 0.515 232 V N 0.689 120.603 119.914 0.000 0.000 2.465 232 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 232 V C 0.614 176.708 176.094 0.001 0.000 1.045 232 V CA -0.350 61.952 62.300 0.003 0.000 0.938 232 V CB 1.797 33.621 31.823 0.000 0.000 0.986 232 V HN 0.403 nan 8.190 nan 0.000 0.467 233 E N 3.991 124.191 120.200 0.000 0.000 2.109 233 E HA 0.436 4.786 4.350 -0.000 0.000 0.278 233 E C -1.373 175.220 176.600 -0.012 0.000 0.954 233 E CA -0.466 55.933 56.400 -0.000 0.000 0.779 233 E CB 1.575 31.279 29.700 0.006 0.000 1.093 233 E HN 0.508 nan 8.360 nan 0.000 0.401 234 V N 5.559 125.468 119.914 -0.008 0.000 2.333 234 V HA 0.188 4.308 4.120 -0.000 0.000 0.274 234 V C -0.175 175.913 176.094 -0.011 0.000 1.028 234 V CA -0.737 61.554 62.300 -0.016 0.000 0.851 234 V CB 1.376 33.194 31.823 -0.008 0.000 1.000 234 V HN 0.466 nan 8.190 nan 0.000 0.456 235 V N 5.093 124.988 119.914 -0.031 0.000 2.294 235 V HA 0.340 4.460 4.120 -0.000 0.000 0.272 235 V C 0.718 176.809 176.094 -0.005 0.000 1.027 235 V CA -0.402 61.893 62.300 -0.009 0.000 0.823 235 V CB 1.123 32.921 31.823 -0.042 0.000 1.030 235 V HN 0.996 nan 8.190 nan 0.000 0.457 236 T N 1.044 115.608 114.554 0.017 0.000 2.847 236 T HA 0.326 4.676 4.350 -0.000 0.000 0.279 236 T C 0.669 175.391 174.700 0.036 0.000 0.984 236 T CA -0.544 61.566 62.100 0.017 0.000 0.988 236 T CB 0.640 69.517 68.868 0.015 0.000 1.040 236 T HN 0.617 nan 8.240 nan 0.000 0.528 237 N N -0.342 118.376 118.700 0.030 0.000 2.721 237 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 237 N C -0.184 175.366 175.510 0.067 0.000 1.072 237 N CA 0.855 53.928 53.050 0.039 0.000 0.710 237 N CB -1.447 37.061 38.487 0.035 0.000 0.993 237 N HN 1.072 nan 8.380 nan 0.000 0.547 238 A N 0.303 123.169 122.820 0.077 0.000 2.312 238 A HA 0.725 5.045 4.320 -0.000 0.000 0.328 238 A C 0.027 177.682 177.584 0.119 0.000 1.158 238 A CA -0.573 51.553 52.037 0.150 0.000 0.821 238 A CB 1.519 20.614 19.000 0.158 0.000 1.170 238 A HN 0.237 nan 8.150 nan 0.000 0.490 239 L N 2.478 123.801 121.223 0.166 0.000 2.343 239 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 239 L C 0.060 177.042 176.870 0.187 0.000 0.996 239 L CA -0.313 54.601 54.840 0.124 0.000 0.831 239 L CB 0.812 42.925 42.059 0.089 0.000 1.232 239 L HN 0.852 nan 8.230 nan 0.000 0.413 240 A N 4.988 127.899 122.820 0.152 0.000 2.362 240 A HA 0.363 4.683 4.320 -0.000 0.000 0.276 240 A C 0.629 178.404 177.584 0.318 0.000 1.153 240 A CA -0.219 51.963 52.037 0.241 0.000 0.813 240 A CB 0.460 19.491 19.000 0.051 0.000 1.081 240 A HN 0.919 nan 8.150 nan 0.000 0.507 241 K N 1.640 122.237 120.400 0.329 0.000 2.313 241 K HA 0.338 4.658 4.320 -0.000 0.000 0.197 241 K C 0.818 177.478 176.600 0.101 0.000 1.061 241 K CA 0.837 57.245 56.287 0.202 0.000 0.980 241 K CB 0.550 33.109 32.500 0.098 0.000 0.888 241 K HN 0.917 nan 8.250 nan 0.000 0.502 242 G N -0.106 108.652 108.800 -0.071 0.000 2.368 242 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 242 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 242 G C -2.027 172.364 174.900 -0.849 0.000 1.467 242 G CA -0.441 44.218 45.100 -0.735 0.000 0.804 242 G HN 0.101 nan 8.290 nan 0.000 0.535 243 A N 0.048 122.291 122.820 -0.962 0.000 2.422 243 A HA 0.837 5.157 4.320 -0.000 0.000 0.302 243 A C -0.537 176.889 177.584 -0.263 0.000 1.041 243 A CA -0.463 51.297 52.037 -0.461 0.000 0.708 243 A CB 1.415 20.211 19.000 -0.340 0.000 1.257 243 A HN 1.103 nan 8.150 nan 0.000 0.414 244 E N 1.980 122.099 120.200 -0.135 0.000 2.129 244 E HA 0.419 4.769 4.350 -0.000 0.000 0.268 244 E C -0.525 176.042 176.600 -0.055 0.000 0.900 244 E CA -0.591 55.754 56.400 -0.092 0.000 0.755 244 E CB 1.699 31.355 29.700 -0.072 0.000 1.117 244 E HN 0.622 nan 8.360 nan 0.000 0.410 245 E N 3.819 123.993 120.200 -0.044 0.000 2.166 245 E HA 0.014 4.364 4.350 -0.000 0.000 0.279 245 E C 0.200 176.781 176.600 -0.032 0.000 1.095 245 E CA -0.247 56.137 56.400 -0.027 0.000 0.888 245 E CB 0.488 30.183 29.700 -0.010 0.000 1.041 245 E HN 0.506 nan 8.360 nan 0.000 0.414 246 R N 3.477 123.955 120.500 -0.037 0.000 2.339 246 R HA -0.068 4.272 4.340 -0.000 0.000 0.199 246 R C -0.223 176.056 176.300 -0.036 0.000 1.018 246 R CA 0.272 56.350 56.100 -0.036 0.000 1.036 246 R CB -0.038 30.240 30.300 -0.038 0.000 0.899 246 R HN 0.601 nan 8.270 nan 0.000 0.473 247 E N 0.309 120.487 120.200 -0.036 0.000 3.286 247 E HA -0.208 4.142 4.350 -0.000 0.000 0.292 247 E C -0.546 176.028 176.600 -0.044 0.000 0.928 247 E CA 1.684 58.065 56.400 -0.031 0.000 0.982 247 E CB -1.659 28.028 29.700 -0.022 0.000 1.500 247 E HN 0.820 nan 8.360 nan 0.000 0.441 248 D N -2.712 117.649 120.400 -0.065 0.000 2.656 248 D HA 0.384 5.024 4.640 -0.000 0.000 0.384 248 D C 0.658 176.883 176.300 -0.125 0.000 1.347 248 D CA 0.160 54.110 54.000 -0.084 0.000 0.970 248 D CB 0.321 41.086 40.800 -0.057 0.000 1.549 248 D HN 0.429 nan 8.370 nan 0.000 0.401 249 G N -0.719 108.002 108.800 -0.133 0.000 2.327 249 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 249 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 249 G C -2.102 172.741 174.900 -0.095 0.000 1.290 249 G CA -0.426 44.580 45.100 -0.155 0.000 0.857 249 G HN 0.369 nan 8.290 nan 0.000 0.520 250 V N -0.216 119.660 119.914 -0.064 0.000 2.841 250 V HA 0.732 4.852 4.120 -0.000 0.000 0.310 250 V C -0.272 175.824 176.094 0.002 0.000 1.090 250 V CA -0.701 61.587 62.300 -0.020 0.000 0.930 250 V CB 2.168 34.003 31.823 0.019 0.000 1.014 250 V HN 0.930 nan 8.190 nan 0.000 0.425 251 T N 3.353 117.907 114.554 0.001 0.000 2.758 251 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 251 T C -0.378 174.343 174.700 0.035 0.000 0.981 251 T CA -0.349 61.761 62.100 0.018 0.000 0.965 251 T CB 1.331 70.198 68.868 -0.001 0.000 0.927 251 T HN 0.385 nan 8.240 nan 0.000 0.448 252 V N 3.950 123.922 119.914 0.096 0.000 2.435 252 V HA 0.503 4.623 4.120 -0.000 0.000 0.290 252 V C 0.322 176.539 176.094 0.205 0.000 1.030 252 V CA -0.744 61.656 62.300 0.166 0.000 0.881 252 V CB 1.750 33.718 31.823 0.240 0.000 0.983 252 V HN 0.935 nan 8.190 nan 0.000 0.445 253 T N 5.262 119.927 114.554 0.184 0.000 2.797 253 T HA 0.706 5.056 4.350 -0.000 0.000 0.279 253 T C -0.933 173.939 174.700 0.287 0.000 0.991 253 T CA -0.308 61.895 62.100 0.172 0.000 0.979 253 T CB 0.887 69.784 68.868 0.048 0.000 0.943 253 T HN 0.695 nan 8.240 nan 0.000 0.444 254 Y N -0.049 120.292 120.300 0.069 0.000 2.534 254 Y HA 0.797 5.347 4.550 -0.000 0.000 0.345 254 Y C -0.647 175.279 175.900 0.043 0.000 1.031 254 Y CA -1.669 56.474 58.100 0.072 0.000 1.022 254 Y CB 1.229 39.733 38.460 0.072 0.000 1.292 254 Y HN 0.546 nan 8.280 nan 0.000 0.459 255 E N 1.770 121.985 120.200 0.025 0.000 2.214 255 E HA 0.840 5.190 4.350 -0.000 0.000 0.274 255 E C -1.434 175.171 176.600 0.009 0.000 0.977 255 E CA -0.968 55.393 56.400 -0.066 0.000 0.827 255 E CB 1.403 31.099 29.700 -0.006 0.000 1.130 255 E HN 1.018 nan 8.360 nan 0.000 0.394 256 A N 2.759 125.554 122.820 -0.042 0.000 2.500 256 A HA 0.502 4.822 4.320 -0.000 0.000 0.291 256 A C -0.136 177.450 177.584 0.003 0.000 1.048 256 A CA 0.034 52.095 52.037 0.040 0.000 0.791 256 A CB 0.194 19.279 19.000 0.141 0.000 1.309 256 A HN 1.168 nan 8.150 nan 0.000 0.397 257 N N 0.356 119.066 118.700 0.017 0.000 2.725 257 N HA 0.237 4.977 4.740 -0.000 0.000 0.251 257 N C 2.015 177.520 175.510 -0.009 0.000 1.031 257 N CA 2.227 55.281 53.050 0.007 0.000 0.720 257 N CB -1.731 36.763 38.487 0.011 0.000 0.930 257 N HN 2.967 nan 8.380 nan 0.000 0.543 258 G N -2.730 106.062 108.800 -0.012 0.000 2.708 258 G HA2 0.174 4.134 3.960 -0.000 0.000 0.229 258 G HA3 0.174 4.134 3.960 -0.000 0.000 0.229 258 G C 0.738 175.614 174.900 -0.040 0.000 1.236 258 G CA 1.712 46.800 45.100 -0.020 0.000 0.749 258 G HN 2.534 nan 8.290 nan 0.000 0.515 259 E N 0.954 121.122 120.200 -0.053 0.000 2.502 259 E HA 0.458 4.808 4.350 -0.000 0.000 0.261 259 E C 0.229 176.744 176.600 -0.142 0.000 0.974 259 E CA 1.034 57.383 56.400 -0.086 0.000 0.936 259 E CB 0.012 29.659 29.700 -0.087 0.000 0.926 259 E HN 0.844 nan 8.360 nan 0.000 0.459 260 T N 3.441 117.909 114.554 -0.143 0.000 2.874 260 T HA 0.484 4.834 4.350 -0.000 0.000 0.321 260 T C -0.399 174.171 174.700 -0.216 0.000 1.075 260 T CA -0.440 61.556 62.100 -0.174 0.000 0.966 260 T CB 0.491 69.301 68.868 -0.096 0.000 1.001 260 T HN 0.477 nan 8.240 nan 0.000 0.476 261 K N 2.192 122.354 120.400 -0.396 0.000 2.295 261 K HA 0.784 5.104 4.320 -0.000 0.000 0.239 261 K C -0.269 176.213 176.600 -0.196 0.000 0.991 261 K CA -0.668 55.428 56.287 -0.319 0.000 0.845 261 K CB 1.400 33.677 32.500 -0.371 0.000 1.197 261 K HN 0.580 nan 8.250 nan 0.000 0.441 262 T N -0.685 113.856 114.554 -0.021 0.000 2.893 262 T HA 0.684 5.034 4.350 -0.000 0.000 0.291 262 T C -0.617 174.167 174.700 0.139 0.000 1.028 262 T CA -0.804 61.347 62.100 0.084 0.000 0.995 262 T CB 0.801 69.690 68.868 0.035 0.000 1.051 262 T HN 0.528 nan 8.240 nan 0.000 0.470 263 I N 1.277 121.948 120.570 0.169 0.000 2.569 263 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 263 I C -1.528 174.637 176.117 0.080 0.000 1.088 263 I CA -0.799 60.580 61.300 0.131 0.000 1.047 263 I CB 1.875 39.969 38.000 0.156 0.000 1.237 263 I HN 0.668 nan 8.210 nan 0.000 0.421 264 D N 6.986 127.416 120.400 0.050 0.000 2.210 264 D HA 0.697 5.337 4.640 -0.000 0.000 0.249 264 D C -0.548 175.762 176.300 0.017 0.000 1.062 264 D CA 0.040 54.054 54.000 0.024 0.000 0.891 264 D CB 2.114 42.919 40.800 0.009 0.000 1.186 264 D HN 0.662 nan 8.370 nan 0.000 0.432 265 A N 1.490 124.311 122.820 0.002 0.000 2.606 265 A HA 0.293 4.613 4.320 -0.000 0.000 0.293 265 A C 0.363 177.909 177.584 -0.063 0.000 1.082 265 A CA -0.639 51.394 52.037 -0.007 0.000 0.685 265 A CB 1.468 20.483 19.000 0.024 0.000 1.284 265 A HN 0.413 nan 8.150 nan 0.000 0.408 266 D N -0.745 119.601 120.400 -0.089 0.000 2.183 266 D HA 0.041 4.681 4.640 -0.000 0.000 0.203 266 D C -0.547 175.431 176.300 -0.536 0.000 0.969 266 D CA 2.119 55.946 54.000 -0.289 0.000 0.842 266 D CB 0.106 40.776 40.800 -0.216 0.000 0.957 266 D HN 0.504 nan 8.370 nan 0.000 0.484 267 Y N -1.309 118.976 120.300 -0.025 0.000 2.625 267 Y HA 0.371 4.921 4.550 -0.000 0.000 0.338 267 Y C -0.414 175.488 175.900 0.003 0.000 1.123 267 Y CA -1.052 57.039 58.100 -0.015 0.000 1.046 267 Y CB 1.901 40.328 38.460 -0.054 0.000 1.299 267 Y HN -0.432 nan 8.280 nan 0.000 0.464 268 V N 2.623 122.667 119.914 0.218 0.000 2.656 268 V HA 0.499 4.619 4.120 -0.000 0.000 0.307 268 V C -1.409 174.771 176.094 0.144 0.000 1.051 268 V CA -0.746 61.648 62.300 0.157 0.000 0.893 268 V CB 2.111 34.054 31.823 0.201 0.000 0.999 268 V HN 0.524 nan 8.190 nan 0.000 0.426 269 L N 5.860 127.130 121.223 0.078 0.000 2.316 269 L HA 0.658 4.998 4.340 -0.000 0.000 0.280 269 L C -0.597 176.299 176.870 0.043 0.000 1.006 269 L CA -0.080 54.796 54.840 0.061 0.000 0.836 269 L CB 1.643 43.711 42.059 0.016 0.000 1.221 269 L HN 0.443 nan 8.230 nan 0.000 0.418 270 V N 4.324 124.311 119.914 0.123 0.000 2.353 270 V HA 0.405 4.525 4.120 -0.000 0.000 0.264 270 V C 0.537 176.683 176.094 0.086 0.000 1.049 270 V CA 0.097 62.441 62.300 0.073 0.000 0.896 270 V CB 0.765 32.674 31.823 0.144 0.000 1.025 270 V HN 0.873 nan 8.190 nan 0.000 0.475 271 T N 0.530 115.081 114.554 -0.003 0.000 3.585 271 T HA 0.221 4.571 4.350 -0.000 0.000 0.252 271 T C 0.667 175.343 174.700 -0.039 0.000 1.382 271 T CA 0.011 62.100 62.100 -0.017 0.000 1.584 271 T CB 0.669 69.507 68.868 -0.049 0.000 0.892 271 T HN 0.449 nan 8.240 nan 0.000 0.671 272 V N -1.688 118.210 119.914 -0.027 0.000 3.052 272 V HA 0.712 4.831 4.120 -0.000 0.000 0.254 272 V C 1.040 177.125 176.094 -0.016 0.000 1.100 272 V CA 0.820 63.097 62.300 -0.037 0.000 1.112 272 V CB -0.560 31.230 31.823 -0.056 0.000 0.738 272 V HN 1.024 nan 8.190 nan 0.000 0.469 273 G N -0.064 108.736 108.800 -0.000 0.000 2.320 273 G HA2 0.469 4.429 3.960 -0.000 0.000 0.297 273 G HA3 0.469 4.429 3.960 -0.000 0.000 0.297 273 G C -1.693 173.223 174.900 0.026 0.000 1.344 273 G CA -1.095 44.010 45.100 0.009 0.000 0.851 273 G HN 0.274 nan 8.290 nan 0.000 0.567 274 R N -0.164 120.355 120.500 0.031 0.000 2.686 274 R HA 0.611 4.951 4.340 -0.000 0.000 0.283 274 R C -0.234 176.092 176.300 0.043 0.000 0.978 274 R CA -0.866 55.258 56.100 0.041 0.000 0.897 274 R CB 2.661 32.984 30.300 0.039 0.000 1.192 274 R HN 0.914 nan 8.270 nan 0.000 0.457 275 R N 0.700 121.228 120.500 0.047 0.000 2.732 275 R HA 0.623 4.963 4.340 -0.000 0.000 0.278 275 R C -2.693 173.634 176.300 0.044 0.000 0.976 275 R CA -2.093 54.033 56.100 0.043 0.000 0.963 275 R CB 0.817 31.144 30.300 0.045 0.000 1.150 275 R HN 0.175 nan 8.270 nan 0.000 0.478 276 P HA 0.091 nan 4.420 nan 0.000 0.271 276 P C -0.807 176.521 177.300 0.046 0.000 1.218 276 P CA -0.458 62.667 63.100 0.043 0.000 0.780 276 P CB 0.507 32.230 31.700 0.038 0.000 0.901 277 N N 1.111 119.841 118.700 0.050 0.000 3.052 277 N HA 0.033 4.773 4.740 -0.000 0.000 0.302 277 N C 0.601 176.150 175.510 0.064 0.000 1.332 277 N CA 0.261 53.344 53.050 0.055 0.000 1.129 277 N CB -0.356 38.164 38.487 0.056 0.000 1.436 277 N HN 0.450 nan 8.380 nan 0.000 0.536 278 T N -3.950 110.638 114.554 0.057 0.000 3.069 278 T HA 0.011 4.361 4.350 -0.000 0.000 0.252 278 T C 0.396 175.137 174.700 0.067 0.000 1.053 278 T CA -0.442 61.693 62.100 0.058 0.000 0.964 278 T CB 0.127 69.018 68.868 0.037 0.000 1.005 278 T HN 0.138 nan 8.240 nan 0.000 0.532 279 D N 1.156 121.595 120.400 0.064 0.000 2.264 279 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 279 D C 0.073 176.420 176.300 0.079 0.000 1.070 279 D CA -0.511 53.528 54.000 0.065 0.000 0.912 279 D CB 0.714 41.544 40.800 0.049 0.000 1.193 279 D HN 0.004 nan 8.370 nan 0.000 0.427 280 E N -0.584 119.667 120.200 0.086 0.000 2.476 280 E HA -0.182 4.168 4.350 -0.000 0.000 0.251 280 E C 0.048 176.736 176.600 0.147 0.000 1.130 280 E CA 0.322 56.771 56.400 0.081 0.000 0.736 280 E CB -1.534 28.175 29.700 0.015 0.000 1.298 280 E HN 0.636 nan 8.360 nan 0.000 0.400 281 L N -2.055 119.318 121.223 0.250 0.000 2.781 281 L HA 0.261 4.600 4.340 -0.000 0.000 0.245 281 L C 1.646 178.833 176.870 0.529 0.000 1.118 281 L CA 0.646 55.724 54.840 0.397 0.000 0.918 281 L CB 0.424 42.664 42.059 0.302 0.000 1.246 281 L HN 0.497 nan 8.230 nan 0.000 0.526 282 G N 0.001 109.042 108.800 0.401 0.000 2.175 282 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 282 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 282 G C 0.917 175.880 174.900 0.104 0.000 0.982 282 G CA 0.461 45.715 45.100 0.258 0.000 0.641 282 G HN 0.241 nan 8.290 nan 0.000 0.527 283 L N 0.990 122.248 121.223 0.059 0.000 2.081 283 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 283 L C 3.020 179.874 176.870 -0.027 0.000 1.080 283 L CA 2.106 56.909 54.840 -0.061 0.000 0.754 283 L CB -0.570 41.436 42.059 -0.089 0.000 0.893 283 L HN 0.529 nan 8.230 nan 0.000 0.433 284 E N 0.300 120.509 120.200 0.015 0.000 2.118 284 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 284 E C 1.995 178.603 176.600 0.013 0.000 0.992 284 E CA 1.257 57.667 56.400 0.015 0.000 0.804 284 E CB -0.391 29.329 29.700 0.033 0.000 0.741 284 E HN 0.495 nan 8.360 nan 0.000 0.458 285 Q N 0.513 120.327 119.800 0.024 0.000 2.083 285 Q HA 0.055 4.395 4.340 -0.000 0.000 0.198 285 Q C 2.166 178.166 176.000 0.000 0.000 0.969 285 Q CA 0.688 56.501 55.803 0.017 0.000 0.838 285 Q CB -0.296 28.457 28.738 0.026 0.000 0.900 285 Q HN 0.232 nan 8.270 nan 0.000 0.436 286 I N -0.309 120.255 120.570 -0.010 0.000 2.850 286 I HA -0.074 4.096 4.170 -0.000 0.000 0.266 286 I C 1.306 177.404 176.117 -0.032 0.000 1.257 286 I CA 1.412 62.699 61.300 -0.022 0.000 1.465 286 I CB -0.636 37.337 38.000 -0.045 0.000 1.091 286 I HN 0.412 nan 8.210 nan 0.000 0.467 287 G N 0.031 108.813 108.800 -0.030 0.000 2.157 287 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 287 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 287 G C 0.405 175.278 174.900 -0.045 0.000 0.979 287 G CA -0.307 44.775 45.100 -0.031 0.000 0.650 287 G HN 0.189 nan 8.290 nan 0.000 0.529 288 I N 1.551 122.083 120.570 -0.064 0.000 2.494 288 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 288 I C 1.075 177.160 176.117 -0.054 0.000 1.106 288 I CA -0.082 61.171 61.300 -0.078 0.000 1.369 288 I CB 0.573 38.502 38.000 -0.119 0.000 1.410 288 I HN 0.187 nan 8.210 nan 0.000 0.523 289 K N 7.299 127.671 120.400 -0.048 0.000 2.412 289 K HA 0.309 4.629 4.320 -0.000 0.000 0.281 289 K C -0.350 176.233 176.600 -0.030 0.000 1.027 289 K CA 0.040 56.307 56.287 -0.033 0.000 0.989 289 K CB 0.698 33.179 32.500 -0.031 0.000 0.935 289 K HN 0.520 nan 8.250 nan 0.000 0.475 290 M N 1.157 120.746 119.600 -0.018 0.000 2.777 290 M HA 0.316 4.796 4.480 -0.000 0.000 0.288 290 M C -0.048 176.249 176.300 -0.005 0.000 1.181 290 M CA -0.946 54.347 55.300 -0.011 0.000 0.758 290 M CB 2.060 34.657 32.600 -0.005 0.000 1.757 290 M HN 0.694 nan 8.290 nan 0.000 0.453 291 T N -2.586 111.969 114.554 0.001 0.000 2.940 291 T HA 0.329 4.679 4.350 -0.000 0.000 0.288 291 T C 0.702 175.405 174.700 0.006 0.000 1.045 291 T CA -0.796 61.306 62.100 0.003 0.000 1.018 291 T CB 0.782 69.653 68.868 0.005 0.000 1.151 291 T HN 0.745 nan 8.240 nan 0.000 0.529 292 N N 1.263 119.967 118.700 0.006 0.000 2.149 292 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 292 N C 1.494 177.011 175.510 0.012 0.000 1.019 292 N CA 1.071 54.126 53.050 0.009 0.000 0.857 292 N CB -0.520 37.972 38.487 0.007 0.000 0.997 292 N HN 0.548 nan 8.380 nan 0.000 0.426 293 R N -0.467 120.040 120.500 0.012 0.000 2.148 293 R HA 0.109 4.448 4.340 -0.000 0.000 0.227 293 R C 1.521 177.833 176.300 0.019 0.000 1.103 293 R CA 1.289 57.398 56.100 0.015 0.000 0.983 293 R CB -0.391 29.919 30.300 0.015 0.000 0.874 293 R HN 0.596 nan 8.270 nan 0.000 0.451 294 G N -1.992 106.818 108.800 0.017 0.000 2.227 294 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.168 294 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.168 294 G C -0.556 174.355 174.900 0.019 0.000 1.006 294 G CA -0.696 44.416 45.100 0.020 0.000 0.684 294 G HN 0.022 nan 8.290 nan 0.000 0.489 295 L N 2.049 123.283 121.223 0.017 0.000 2.367 295 L HA 0.523 4.863 4.340 -0.000 0.000 0.275 295 L C 1.062 177.937 176.870 0.008 0.000 1.129 295 L CA -0.469 54.381 54.840 0.017 0.000 0.839 295 L CB 0.801 42.872 42.059 0.019 0.000 1.133 295 L HN 0.203 nan 8.230 nan 0.000 0.453 296 I N 3.825 124.398 120.570 0.006 0.000 2.529 296 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 296 I C 0.629 176.741 176.117 -0.008 0.000 1.082 296 I CA -0.518 60.777 61.300 -0.008 0.000 1.406 296 I CB 0.440 38.429 38.000 -0.017 0.000 1.405 296 I HN 0.469 nan 8.210 nan 0.000 0.548 297 E N 5.313 125.502 120.200 -0.018 0.000 2.316 297 E HA 0.363 4.713 4.350 -0.000 0.000 0.275 297 E C -0.724 175.860 176.600 -0.028 0.000 1.029 297 E CA -0.098 56.291 56.400 -0.018 0.000 0.871 297 E CB 1.944 31.630 29.700 -0.023 0.000 1.022 297 E HN 0.247 nan 8.360 nan 0.000 0.418 298 V N 2.846 122.749 119.914 -0.018 0.000 3.049 298 V HA 0.149 4.269 4.120 -0.000 0.000 0.309 298 V C -0.506 175.579 176.094 -0.016 0.000 1.148 298 V CA -0.807 61.479 62.300 -0.023 0.000 0.990 298 V CB 2.537 34.362 31.823 0.004 0.000 1.039 298 V HN 0.741 nan 8.190 nan 0.000 0.430 299 D N 1.579 121.964 120.400 -0.025 0.000 2.564 299 D HA 0.228 4.868 4.640 -0.000 0.000 0.273 299 D C 0.666 176.976 176.300 0.017 0.000 1.192 299 D CA -0.434 53.559 54.000 -0.011 0.000 1.080 299 D CB 0.727 41.511 40.800 -0.027 0.000 1.160 299 D HN 0.473 nan 8.370 nan 0.000 0.607 300 Q N -1.216 118.596 119.800 0.020 0.000 2.368 300 Q HA -0.149 4.191 4.340 -0.000 0.000 0.210 300 Q C 0.857 176.896 176.000 0.065 0.000 0.982 300 Q CA 1.172 56.996 55.803 0.036 0.000 0.884 300 Q CB -0.104 28.648 28.738 0.024 0.000 0.933 300 Q HN 0.490 nan 8.270 nan 0.000 0.460 301 Q N -1.264 118.586 119.800 0.083 0.000 2.175 301 Q HA 0.166 4.506 4.340 -0.000 0.000 0.225 301 Q C -0.102 176.046 176.000 0.248 0.000 0.837 301 Q CA -0.322 55.572 55.803 0.151 0.000 1.032 301 Q CB 0.731 29.584 28.738 0.192 0.000 1.137 301 Q HN 0.318 nan 8.270 nan 0.000 0.483 302 C N 1.889 121.284 119.300 0.157 0.000 4.365 302 C HA -0.180 4.280 4.460 -0.000 0.000 0.299 302 C C 0.341 175.400 174.990 0.114 0.000 1.409 302 C CA 0.509 59.629 59.018 0.170 0.000 2.007 302 C CB -2.302 25.565 27.740 0.211 0.000 1.264 302 C HN 0.456 nan 8.230 nan 0.000 0.777 303 R N 0.673 121.089 120.500 -0.139 0.000 2.404 303 R HA 0.547 4.887 4.340 -0.000 0.000 0.291 303 R C 0.965 177.090 176.300 -0.292 0.000 1.025 303 R CA 0.437 56.206 56.100 -0.551 0.000 0.991 303 R CB 1.212 31.171 30.300 -0.569 0.000 1.053 303 R HN 0.670 nan 8.270 nan 0.000 0.479 304 T N -2.014 112.356 114.554 -0.306 0.000 2.924 304 T HA 0.070 4.420 4.350 -0.000 0.000 0.301 304 T C 1.481 176.085 174.700 -0.161 0.000 1.120 304 T CA -0.169 61.825 62.100 -0.177 0.000 0.940 304 T CB 0.622 69.398 68.868 -0.152 0.000 1.591 304 T HN 0.531 nan 8.240 nan 0.000 0.578 305 S N -0.830 114.801 115.700 -0.115 0.000 2.428 305 S HA 0.074 4.544 4.470 -0.000 0.000 0.230 305 S C 0.815 175.360 174.600 -0.092 0.000 1.014 305 S CA -0.077 58.069 58.200 -0.090 0.000 0.957 305 S CB -0.510 62.651 63.200 -0.065 0.000 0.784 305 S HN 0.538 nan 8.310 nan 0.000 0.499 306 V N 4.331 124.183 119.914 -0.102 0.000 2.353 306 V HA 0.242 4.362 4.120 -0.000 0.000 0.264 306 V C -1.550 174.475 176.094 -0.114 0.000 1.049 306 V CA -1.655 60.599 62.300 -0.077 0.000 0.896 306 V CB 0.792 32.584 31.823 -0.052 0.000 1.025 306 V HN 0.152 nan 8.190 nan 0.000 0.475 307 P HA -0.205 nan 4.420 nan 0.000 0.218 307 P C 1.161 178.393 177.300 -0.113 0.000 1.152 307 P CA 1.494 64.511 63.100 -0.138 0.000 0.857 307 P CB 0.055 31.723 31.700 -0.053 0.000 0.787 308 N N -1.283 117.436 118.700 0.031 0.000 2.322 308 N HA -0.011 4.729 4.740 -0.000 0.000 0.194 308 N C -0.109 175.560 175.510 0.265 0.000 1.126 308 N CA 0.440 53.614 53.050 0.205 0.000 0.845 308 N CB -0.010 38.618 38.487 0.236 0.000 0.976 308 N HN 0.101 nan 8.380 nan 0.000 0.475 309 I N 1.309 121.912 120.570 0.056 0.000 2.389 309 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 309 I C -0.674 175.385 176.117 -0.096 0.000 0.999 309 I CA -0.875 60.464 61.300 0.064 0.000 1.129 309 I CB 0.506 38.485 38.000 -0.035 0.000 1.288 309 I HN -0.222 nan 8.210 nan 0.000 0.444 310 F N 3.778 123.711 119.950 -0.028 0.000 2.523 310 F HA 0.813 5.340 4.527 -0.000 0.000 0.329 310 F C 0.436 176.216 175.800 -0.034 0.000 1.061 310 F CA -0.820 57.165 58.000 -0.025 0.000 0.967 310 F CB 1.988 40.977 39.000 -0.019 0.000 1.218 310 F HN 0.492 nan 8.300 nan 0.000 0.480 311 A N 2.690 125.598 122.820 0.147 0.000 2.422 311 A HA 0.904 5.224 4.320 -0.000 0.000 0.302 311 A C -1.075 176.562 177.584 0.087 0.000 1.041 311 A CA -0.570 51.514 52.037 0.079 0.000 0.708 311 A CB 1.277 20.291 19.000 0.023 0.000 1.257 311 A HN 0.800 nan 8.150 nan 0.000 0.414 312 I N -1.278 119.333 120.570 0.068 0.000 3.195 312 I HA 0.941 5.111 4.170 -0.000 0.000 0.313 312 I C 0.392 176.540 176.117 0.051 0.000 1.237 312 I CA -0.294 61.044 61.300 0.064 0.000 0.963 312 I CB 1.966 39.995 38.000 0.049 0.000 1.278 312 I HN 1.954 nan 8.210 nan 0.000 0.460 313 G N 2.738 111.571 108.800 0.055 0.000 2.481 313 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.230 313 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.230 313 G C -0.168 174.765 174.900 0.055 0.000 1.210 313 G CA 0.470 45.599 45.100 0.048 0.000 0.936 313 G HN 0.780 nan 8.290 nan 0.000 0.583 314 D N 0.820 121.251 120.400 0.052 0.000 2.317 314 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 314 D C 2.457 178.786 176.300 0.049 0.000 0.966 314 D CA 1.202 55.234 54.000 0.054 0.000 0.876 314 D CB -0.175 40.658 40.800 0.055 0.000 0.927 314 D HN 0.698 nan 8.370 nan 0.000 0.519 315 I N -1.571 119.027 120.570 0.046 0.000 3.251 315 I HA 0.019 4.188 4.170 -0.000 0.000 0.277 315 I C 0.638 176.777 176.117 0.036 0.000 1.268 315 I CA -0.027 61.297 61.300 0.040 0.000 1.449 315 I CB -0.181 37.842 38.000 0.038 0.000 1.083 315 I HN -0.236 nan 8.210 nan 0.000 0.464 316 V N -2.144 117.796 119.914 0.043 0.000 3.096 316 V HA 0.689 4.809 4.120 -0.000 0.000 0.319 316 V C -2.638 173.485 176.094 0.048 0.000 1.103 316 V CA -2.383 59.943 62.300 0.043 0.000 1.016 316 V CB 0.649 32.503 31.823 0.053 0.000 1.090 316 V HN -0.110 nan 8.190 nan 0.000 0.449 317 P HA 0.564 nan 4.420 nan 0.000 0.271 317 P C 0.312 177.651 177.300 0.064 0.000 1.233 317 P CA 1.468 64.595 63.100 0.045 0.000 0.789 317 P CB 0.460 32.180 31.700 0.033 0.000 0.951 318 G N 0.539 109.375 108.800 0.060 0.000 2.384 318 G HA2 0.011 3.971 3.960 -0.000 0.000 0.668 318 G HA3 0.011 3.971 3.960 -0.000 0.000 0.668 318 G C -3.054 171.883 174.900 0.063 0.000 1.280 318 G CA -1.070 44.077 45.100 0.079 0.000 0.992 318 G HN 0.428 nan 8.290 nan 0.000 0.512 319 P HA 0.529 nan 4.420 nan 0.000 0.276 319 P C 0.164 177.491 177.300 0.046 0.000 1.235 319 P CA 0.517 63.640 63.100 0.038 0.000 0.772 319 P CB 1.245 32.952 31.700 0.012 0.000 0.871 320 A N 4.875 127.733 122.820 0.064 0.000 3.030 320 A HA 0.266 4.585 4.320 -0.000 0.000 0.273 320 A C -0.145 177.488 177.584 0.082 0.000 1.841 320 A CA 0.146 52.233 52.037 0.083 0.000 1.479 320 A CB -1.292 17.774 19.000 0.111 0.000 1.048 320 A HN 0.506 nan 8.150 nan 0.000 0.612 321 L N 0.344 121.597 121.223 0.049 0.000 2.401 321 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 321 L C 1.419 178.317 176.870 0.047 0.000 0.991 321 L CA -0.715 54.143 54.840 0.031 0.000 0.818 321 L CB 1.878 43.927 42.059 -0.016 0.000 1.321 321 L HN 0.458 nan 8.230 nan 0.000 0.413 322 A N 0.974 123.828 122.820 0.056 0.000 1.948 322 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 322 A C 1.900 179.561 177.584 0.128 0.000 1.177 322 A CA 1.702 53.785 52.037 0.077 0.000 0.636 322 A CB -0.796 18.253 19.000 0.081 0.000 0.815 322 A HN 0.905 nan 8.150 nan 0.000 0.449 323 H N -1.603 117.441 119.070 -0.043 0.000 2.436 323 H HA -0.024 4.532 4.556 -0.000 0.000 0.294 323 H C 2.119 177.403 175.328 -0.073 0.000 1.048 323 H CA 1.037 57.048 56.048 -0.062 0.000 1.353 323 H CB 0.199 29.908 29.762 -0.088 0.000 1.414 323 H HN 0.344 nan 8.280 nan 0.000 0.536 324 K N 1.252 121.665 120.400 0.022 0.000 2.097 324 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 324 K C 2.123 178.760 176.600 0.062 0.000 1.050 324 K CA 0.965 57.233 56.287 -0.032 0.000 0.938 324 K CB -0.047 32.439 32.500 -0.023 0.000 0.718 324 K HN 0.209 nan 8.250 nan 0.000 0.442 325 A N 0.690 123.538 122.820 0.047 0.000 1.841 325 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 325 A C 2.326 179.909 177.584 -0.003 0.000 1.195 325 A CA 2.038 54.094 52.037 0.030 0.000 0.611 325 A CB -0.784 18.222 19.000 0.011 0.000 0.835 325 A HN 0.350 nan 8.150 nan 0.000 0.443 326 S N -1.487 114.188 115.700 -0.042 0.000 2.374 326 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 326 S C 1.828 176.392 174.600 -0.060 0.000 1.037 326 S CA 1.728 59.859 58.200 -0.113 0.000 1.024 326 S CB -0.625 62.473 63.200 -0.170 0.000 0.861 326 S HN 0.657 nan 8.310 nan 0.000 0.456 327 Y N 2.291 122.502 120.300 -0.149 0.000 2.097 327 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 327 Y C 2.213 178.082 175.900 -0.051 0.000 1.152 327 Y CA 1.921 59.954 58.100 -0.112 0.000 1.136 327 Y CB -0.442 37.950 38.460 -0.113 0.000 0.975 327 Y HN 0.294 nan 8.280 nan 0.000 0.498 328 E N -0.464 119.807 120.200 0.118 0.000 2.110 328 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 328 E C 2.419 178.979 176.600 -0.067 0.000 0.988 328 E CA 0.861 57.282 56.400 0.034 0.000 0.804 328 E CB -0.572 29.201 29.700 0.123 0.000 0.745 328 E HN 0.677 nan 8.360 nan 0.000 0.458 329 G N 1.860 110.616 108.800 -0.074 0.000 2.476 329 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 329 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 329 G C 1.480 176.287 174.900 -0.156 0.000 1.164 329 G CA 0.928 45.961 45.100 -0.112 0.000 0.768 329 G HN 0.131 nan 8.290 nan 0.000 0.560 330 K N -0.205 120.080 120.400 -0.191 0.000 2.001 330 K HA -0.004 4.316 4.320 -0.000 0.000 0.208 330 K C 2.661 179.112 176.600 -0.250 0.000 1.048 330 K CA 1.118 57.271 56.287 -0.223 0.000 0.932 330 K CB -0.452 31.899 32.500 -0.249 0.000 0.715 330 K HN 0.200 nan 8.250 nan 0.000 0.437 331 V N 1.753 121.492 119.914 -0.291 0.000 2.317 331 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 331 V C 2.400 178.395 176.094 -0.166 0.000 1.065 331 V CA 2.155 64.314 62.300 -0.235 0.000 1.049 331 V CB -0.891 30.801 31.823 -0.217 0.000 0.651 331 V HN 0.396 nan 8.190 nan 0.000 0.450 332 A N 0.142 122.862 122.820 -0.167 0.000 1.841 332 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 332 A C 2.490 179.824 177.584 -0.417 0.000 1.199 332 A CA 2.585 54.453 52.037 -0.280 0.000 0.621 332 A CB -1.175 17.692 19.000 -0.222 0.000 0.835 332 A HN 0.628 nan 8.150 nan 0.000 0.445 333 A N -0.456 122.184 122.820 -0.301 0.000 1.917 333 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 333 A C 1.931 179.386 177.584 -0.216 0.000 1.182 333 A CA 1.992 53.875 52.037 -0.256 0.000 0.633 333 A CB -0.701 18.188 19.000 -0.184 0.000 0.819 333 A HN 0.683 nan 8.150 nan 0.000 0.448 334 E N -0.500 119.574 120.200 -0.209 0.000 2.051 334 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 334 E C 2.352 178.920 176.600 -0.053 0.000 0.991 334 E CA 1.007 57.304 56.400 -0.173 0.000 0.799 334 E CB -0.308 29.217 29.700 -0.291 0.000 0.748 334 E HN 0.633 nan 8.360 nan 0.000 0.449 335 A N 1.112 123.882 122.820 -0.083 0.000 1.933 335 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 335 A C 2.163 179.729 177.584 -0.031 0.000 1.175 335 A CA 1.071 53.107 52.037 -0.002 0.000 0.628 335 A CB -0.602 18.443 19.000 0.074 0.000 0.814 335 A HN 0.150 nan 8.150 nan 0.000 0.444 336 I N -0.233 120.209 120.570 -0.214 0.000 2.179 336 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 336 I C 2.948 179.041 176.117 -0.040 0.000 1.088 336 I CA 1.149 62.343 61.300 -0.177 0.000 1.357 336 I CB -0.400 37.423 38.000 -0.295 0.000 1.051 336 I HN 0.353 nan 8.210 nan 0.000 0.409 337 A N -0.052 122.745 122.820 -0.038 0.000 1.972 337 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 337 A C 2.066 179.675 177.584 0.043 0.000 1.169 337 A CA 1.959 54.003 52.037 0.012 0.000 0.635 337 A CB -0.630 18.385 19.000 0.026 0.000 0.810 337 A HN 0.622 nan 8.150 nan 0.000 0.446 338 G N -3.081 105.754 108.800 0.058 0.000 2.705 338 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.193 338 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.193 338 G C 0.183 175.123 174.900 0.067 0.000 1.015 338 G CA 0.172 45.304 45.100 0.053 0.000 0.743 338 G HN 0.666 nan 8.290 nan 0.000 0.476 339 H N 3.584 122.646 119.070 -0.014 0.000 3.195 339 H HA 0.257 4.813 4.556 -0.000 0.000 0.302 339 H C -1.405 173.918 175.328 -0.008 0.000 0.950 339 H CA 0.848 56.886 56.048 -0.016 0.000 1.398 339 H CB 1.222 30.964 29.762 -0.034 0.000 1.377 339 H HN 0.128 nan 8.280 nan 0.000 0.572 340 P HA -0.041 nan 4.420 nan 0.000 0.261 340 P C -0.701 176.652 177.300 0.090 0.000 1.650 340 P CA -0.157 62.981 63.100 0.064 0.000 0.846 340 P CB -0.467 31.243 31.700 0.018 0.000 1.758 341 S N -0.204 115.564 115.700 0.114 0.000 2.576 341 S HA 0.544 5.014 4.470 -0.000 0.000 0.272 341 S C 0.416 175.041 174.600 0.041 0.000 1.352 341 S CA -0.400 57.836 58.200 0.061 0.000 1.021 341 S CB 0.940 64.133 63.200 -0.011 0.000 0.887 341 S HN 0.445 nan 8.310 nan 0.000 0.542 342 A N 0.804 123.638 122.820 0.024 0.000 2.610 342 A HA 0.614 4.934 4.320 -0.000 0.000 0.291 342 A C -1.010 176.607 177.584 0.055 0.000 1.086 342 A CA -0.874 51.187 52.037 0.041 0.000 0.677 342 A CB 0.944 19.972 19.000 0.046 0.000 1.278 342 A HN 0.835 nan 8.150 nan 0.000 0.414 343 V N 2.184 122.155 119.914 0.095 0.000 2.389 343 V HA 0.408 4.528 4.120 -0.000 0.000 0.264 343 V C -0.663 175.518 176.094 0.144 0.000 1.049 343 V CA 0.355 62.789 62.300 0.224 0.000 0.932 343 V CB 0.665 32.614 31.823 0.210 0.000 1.011 343 V HN 0.752 nan 8.190 nan 0.000 0.475 344 D N 5.291 125.863 120.400 0.288 0.000 2.358 344 D HA 0.427 5.067 4.640 -0.000 0.000 0.253 344 D C -1.159 175.259 176.300 0.196 0.000 1.288 344 D CA -0.303 53.773 54.000 0.127 0.000 0.950 344 D CB 0.837 41.708 40.800 0.117 0.000 1.197 344 D HN 0.488 nan 8.370 nan 0.000 0.550 345 Y N 0.378 120.692 120.300 0.023 0.000 2.544 345 Y HA 0.423 4.973 4.550 -0.000 0.000 0.342 345 Y C 0.369 176.247 175.900 -0.036 0.000 1.062 345 Y CA -1.271 56.789 58.100 -0.068 0.000 1.023 345 Y CB 0.949 39.246 38.460 -0.272 0.000 1.308 345 Y HN -0.092 nan 8.280 nan 0.000 0.457 346 V N 0.136 120.146 119.914 0.159 0.000 3.506 346 V HA 0.779 4.899 4.120 -0.000 0.000 0.263 346 V C 0.352 176.545 176.094 0.166 0.000 1.203 346 V CA 1.037 63.398 62.300 0.101 0.000 1.133 346 V CB -0.472 31.385 31.823 0.055 0.000 0.802 346 V HN 1.455 nan 8.190 nan 0.000 0.459 347 A N -0.412 122.552 122.820 0.241 0.000 2.549 347 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 347 A C -1.426 176.174 177.584 0.026 0.000 1.034 347 A CA -0.500 51.636 52.037 0.166 0.000 0.655 347 A CB 0.820 19.872 19.000 0.086 0.000 1.299 347 A HN 0.311 nan 8.150 nan 0.000 0.427 348 I N 1.086 121.630 120.570 -0.044 0.000 2.533 348 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 348 I C -2.626 173.439 176.117 -0.086 0.000 1.056 348 I CA -1.997 59.211 61.300 -0.153 0.000 1.057 348 I CB 2.620 40.467 38.000 -0.255 0.000 1.240 348 I HN 0.393 nan 8.210 nan 0.000 0.423 349 P HA 0.401 nan 4.420 nan 0.000 0.284 349 P C -1.172 176.080 177.300 -0.079 0.000 1.253 349 P CA -0.351 62.707 63.100 -0.071 0.000 0.800 349 P CB 1.202 32.861 31.700 -0.069 0.000 0.961 350 A N 2.310 125.102 122.820 -0.047 0.000 2.343 350 A HA 0.667 4.987 4.320 -0.000 0.000 0.316 350 A C -0.538 177.025 177.584 -0.035 0.000 1.104 350 A CA -0.624 51.390 52.037 -0.039 0.000 0.768 350 A CB 1.107 20.123 19.000 0.027 0.000 1.213 350 A HN 0.412 nan 8.150 nan 0.000 0.456 351 V N 0.356 120.167 119.914 -0.172 0.000 2.680 351 V HA 0.887 5.007 4.120 -0.000 0.000 0.309 351 V C -0.707 175.129 176.094 -0.429 0.000 1.052 351 V CA -0.765 61.333 62.300 -0.337 0.000 0.908 351 V CB 1.413 32.948 31.823 -0.479 0.000 1.001 351 V HN 0.642 nan 8.190 nan 0.000 0.431 352 V N 4.428 124.038 119.914 -0.507 0.000 2.487 352 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 352 V C -0.568 175.272 176.094 -0.422 0.000 1.028 352 V CA -0.176 61.909 62.300 -0.359 0.000 0.860 352 V CB 1.599 33.209 31.823 -0.356 0.000 0.991 352 V HN 0.830 nan 8.190 nan 0.000 0.427 353 F N 3.380 123.292 119.950 -0.064 0.000 2.669 353 F HA 0.272 4.799 4.527 -0.000 0.000 0.353 353 F C 1.359 177.122 175.800 -0.062 0.000 1.192 353 F CA -0.259 57.699 58.000 -0.071 0.000 1.317 353 F CB 0.004 38.977 39.000 -0.044 0.000 1.652 353 F HN 0.530 nan 8.300 nan 0.000 0.608 354 S N -1.737 113.958 115.700 -0.007 0.000 2.681 354 S HA 0.149 4.619 4.470 -0.000 0.000 0.270 354 S C 1.221 175.814 174.600 -0.011 0.000 1.209 354 S CA -0.930 57.262 58.200 -0.014 0.000 0.988 354 S CB 1.358 64.507 63.200 -0.085 0.000 1.006 354 S HN 0.444 nan 8.310 nan 0.000 0.558 355 D N 1.656 122.070 120.400 0.025 0.000 2.137 355 D HA -0.060 4.580 4.640 -0.000 0.000 0.193 355 D C -1.650 174.629 176.300 -0.035 0.000 0.993 355 D CA 1.309 55.361 54.000 0.087 0.000 0.846 355 D CB -1.294 39.560 40.800 0.091 0.000 0.990 355 D HN 0.365 nan 8.370 nan 0.000 0.448 356 P HA 0.127 nan 4.420 nan 0.000 0.280 356 P C -0.850 176.327 177.300 -0.205 0.000 1.300 356 P CA 0.004 63.004 63.100 -0.167 0.000 0.785 356 P CB 0.521 32.099 31.700 -0.205 0.000 0.874 357 E N 2.839 122.914 120.200 -0.209 0.000 2.404 357 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 357 E C -0.395 176.011 176.600 -0.323 0.000 1.074 357 E CA -0.703 55.541 56.400 -0.260 0.000 0.917 357 E CB 0.193 29.737 29.700 -0.260 0.000 0.965 357 E HN 0.437 nan 8.360 nan 0.000 0.433 358 C N 0.167 119.237 119.300 -0.384 0.000 2.802 358 C HA 0.962 5.422 4.460 -0.000 0.000 0.307 358 C C -0.364 174.413 174.990 -0.354 0.000 1.222 358 C CA -0.531 58.260 59.018 -0.379 0.000 1.580 358 C CB 0.630 28.106 27.740 -0.440 0.000 2.119 358 C HN 0.943 nan 8.230 nan 0.000 0.479 359 A N 1.412 124.102 122.820 -0.216 0.000 2.486 359 A HA 0.917 5.237 4.320 -0.000 0.000 0.300 359 A C -0.693 176.896 177.584 0.009 0.000 1.048 359 A CA -0.100 51.867 52.037 -0.117 0.000 0.696 359 A CB 1.733 20.651 19.000 -0.137 0.000 1.278 359 A HN 1.617 nan 8.150 nan 0.000 0.405 360 S N -0.014 115.737 115.700 0.085 0.000 2.569 360 S HA 0.820 5.290 4.470 -0.000 0.000 0.280 360 S C -1.760 172.797 174.600 -0.071 0.000 1.111 360 S CA -0.325 57.881 58.200 0.010 0.000 0.887 360 S CB 1.727 64.982 63.200 0.091 0.000 1.095 360 S HN 2.077 nan 8.310 nan 0.000 0.476 361 V N 3.288 123.113 119.914 -0.149 0.000 3.000 361 V HA 0.745 4.865 4.120 -0.000 0.000 0.300 361 V C 0.276 176.305 176.094 -0.109 0.000 1.251 361 V CA 0.926 63.165 62.300 -0.102 0.000 0.972 361 V CB 0.981 32.770 31.823 -0.056 0.000 1.065 361 V HN 1.925 nan 8.190 nan 0.000 0.431 362 G N 4.585 113.366 108.800 -0.031 0.000 2.553 362 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 362 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 362 G C -1.046 173.922 174.900 0.113 0.000 1.277 362 G CA 0.332 45.483 45.100 0.085 0.000 0.910 362 G HN 1.266 nan 8.290 nan 0.000 0.576 363 Y N -0.169 120.065 120.300 -0.109 0.000 2.307 363 Y HA 0.687 5.237 4.550 -0.000 0.000 0.324 363 Y C 0.888 176.706 175.900 -0.135 0.000 1.238 363 Y CA -1.107 56.958 58.100 -0.058 0.000 1.280 363 Y CB 0.589 39.056 38.460 0.012 0.000 1.248 363 Y HN 0.422 nan 8.280 nan 0.000 0.508 364 F N 0.670 120.693 119.950 0.122 0.000 2.379 364 F HA 0.168 4.695 4.527 -0.000 0.000 0.332 364 F C 1.722 177.590 175.800 0.114 0.000 1.096 364 F CA -0.409 57.647 58.000 0.093 0.000 1.105 364 F CB 0.835 39.858 39.000 0.037 0.000 1.189 364 F HN 0.628 nan 8.300 nan 0.000 0.515 365 E N 0.942 121.298 120.200 0.259 0.000 2.108 365 E HA -0.392 3.958 4.350 -0.000 0.000 0.203 365 E C 1.844 178.542 176.600 0.163 0.000 1.022 365 E CA 2.137 58.640 56.400 0.172 0.000 0.823 365 E CB 0.053 29.830 29.700 0.128 0.000 0.744 365 E HN 0.756 nan 8.360 nan 0.000 0.456 366 Q N 0.724 120.621 119.800 0.162 0.000 1.993 366 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 366 Q C 2.088 178.157 176.000 0.115 0.000 0.984 366 Q CA 2.363 58.231 55.803 0.108 0.000 0.837 366 Q CB -0.457 28.322 28.738 0.067 0.000 0.902 366 Q HN 0.375 nan 8.270 nan 0.000 0.423 367 Q N -0.928 118.953 119.800 0.136 0.000 2.173 367 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 367 Q C 1.744 177.864 176.000 0.200 0.000 0.989 367 Q CA 1.705 57.566 55.803 0.097 0.000 0.872 367 Q CB -0.291 28.467 28.738 0.034 0.000 0.909 367 Q HN 0.465 nan 8.270 nan 0.000 0.420 368 A N 1.961 124.970 122.820 0.315 0.000 1.845 368 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 368 A C 1.988 179.680 177.584 0.180 0.000 1.195 368 A CA 2.084 54.327 52.037 0.343 0.000 0.616 368 A CB -0.635 18.491 19.000 0.209 0.000 0.832 368 A HN 0.578 nan 8.150 nan 0.000 0.443 369 K N -0.859 119.613 120.400 0.121 0.000 2.147 369 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 369 K C 0.954 177.596 176.600 0.070 0.000 1.049 369 K CA 1.545 57.878 56.287 0.078 0.000 0.936 369 K CB -0.466 32.069 32.500 0.058 0.000 0.722 369 K HN 0.240 nan 8.250 nan 0.000 0.446 370 D N 1.333 121.777 120.400 0.074 0.000 2.264 370 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 370 D C 1.514 177.851 176.300 0.061 0.000 0.966 370 D CA 0.955 54.987 54.000 0.053 0.000 0.864 370 D CB 0.041 40.863 40.800 0.037 0.000 0.933 370 D HN 0.317 nan 8.370 nan 0.000 0.499 371 E N -0.386 119.874 120.200 0.100 0.000 2.481 371 E HA 0.138 4.488 4.350 -0.000 0.000 0.195 371 E C 0.911 177.562 176.600 0.084 0.000 1.047 371 E CA 0.527 56.998 56.400 0.118 0.000 0.867 371 E CB 0.025 29.872 29.700 0.245 0.000 0.858 371 E HN 0.195 nan 8.360 nan 0.000 0.513 372 G N 0.614 109.454 108.800 0.066 0.000 2.203 372 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 372 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 372 G C -0.107 174.815 174.900 0.036 0.000 1.058 372 G CA 0.164 45.291 45.100 0.044 0.000 0.781 372 G HN 0.200 nan 8.290 nan 0.000 0.496 373 I N 1.285 121.880 120.570 0.042 0.000 2.465 373 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 373 I C -0.361 175.766 176.117 0.015 0.000 1.014 373 I CA -1.144 60.167 61.300 0.018 0.000 1.093 373 I CB 1.713 39.713 38.000 -0.001 0.000 1.267 373 I HN 0.266 nan 8.210 nan 0.000 0.431 374 D N 7.098 127.500 120.400 0.004 0.000 2.352 374 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 374 D C -0.590 175.709 176.300 -0.001 0.000 1.224 374 D CA -0.079 53.925 54.000 0.005 0.000 0.879 374 D CB 1.924 42.725 40.800 0.003 0.000 1.057 374 D HN 0.089 nan 8.370 nan 0.000 0.491 375 V N 3.991 123.910 119.914 0.008 0.000 2.656 375 V HA 0.399 4.519 4.120 -0.000 0.000 0.307 375 V C -0.258 175.844 176.094 0.013 0.000 1.051 375 V CA -1.056 61.247 62.300 0.005 0.000 0.893 375 V CB 2.378 34.208 31.823 0.011 0.000 0.999 375 V HN 0.623 nan 8.190 nan 0.000 0.426 376 I N 4.657 125.232 120.570 0.009 0.000 2.577 376 I HA 0.853 5.022 4.170 -0.000 0.000 0.305 376 I C -0.128 176.001 176.117 0.020 0.000 0.986 376 I CA -0.468 60.840 61.300 0.013 0.000 1.189 376 I CB 1.851 39.857 38.000 0.009 0.000 1.355 376 I HN 0.711 nan 8.210 nan 0.000 0.476 377 A N 6.137 128.971 122.820 0.023 0.000 2.353 377 A HA 0.800 5.120 4.320 -0.000 0.000 0.299 377 A C -0.847 176.754 177.584 0.028 0.000 1.089 377 A CA -0.513 51.543 52.037 0.030 0.000 0.736 377 A CB 1.170 20.192 19.000 0.037 0.000 1.195 377 A HN 0.861 nan 8.150 nan 0.000 0.447 378 A N 2.549 125.394 122.820 0.042 0.000 2.290 378 A HA 0.704 5.024 4.320 -0.000 0.000 0.310 378 A C -0.057 177.574 177.584 0.078 0.000 1.202 378 A CA -0.506 51.565 52.037 0.057 0.000 0.837 378 A CB 0.579 19.618 19.000 0.064 0.000 1.139 378 A HN 0.771 nan 8.150 nan 0.000 0.509 379 K N 2.645 123.084 120.400 0.066 0.000 2.413 379 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 379 K C -2.116 174.559 176.600 0.126 0.000 0.946 379 K CA -0.332 55.990 56.287 0.058 0.000 0.823 379 K CB 0.938 33.362 32.500 -0.126 0.000 1.109 379 K HN 0.570 nan 8.250 nan 0.000 0.427 380 F N 6.524 126.529 119.950 0.091 0.000 2.493 380 F HA 0.475 5.002 4.527 -0.000 0.000 0.329 380 F C -2.244 173.673 175.800 0.196 0.000 1.126 380 F CA -2.090 55.964 58.000 0.090 0.000 0.937 380 F CB 1.663 40.684 39.000 0.036 0.000 1.146 380 F HN 0.417 nan 8.300 nan 0.000 0.442 381 P HA 0.124 nan 4.420 nan 0.000 0.284 381 P C 0.167 177.617 177.300 0.249 0.000 1.253 381 P CA -0.096 63.069 63.100 0.108 0.000 0.800 381 P CB 1.067 32.714 31.700 -0.088 0.000 0.961 382 F N 1.849 121.859 119.950 0.101 0.000 2.407 382 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 382 F C 2.557 178.389 175.800 0.053 0.000 1.097 382 F CA 1.174 59.229 58.000 0.092 0.000 1.422 382 F CB -1.322 37.707 39.000 0.049 0.000 1.067 382 F HN 0.357 nan 8.300 nan 0.000 0.539 383 A N -0.250 122.689 122.820 0.199 0.000 2.076 383 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 383 A C 2.354 179.975 177.584 0.062 0.000 1.160 383 A CA 1.655 53.752 52.037 0.099 0.000 0.653 383 A CB -0.895 18.135 19.000 0.050 0.000 0.801 383 A HN 0.284 nan 8.150 nan 0.000 0.455 384 A N -0.489 122.364 122.820 0.054 0.000 1.997 384 A HA 0.078 4.398 4.320 -0.000 0.000 0.212 384 A C 1.213 178.866 177.584 0.116 0.000 1.178 384 A CA 0.218 52.294 52.037 0.065 0.000 0.698 384 A CB -0.334 18.670 19.000 0.007 0.000 0.842 384 A HN 0.550 nan 8.150 nan 0.000 0.458 385 N N 0.621 119.391 118.700 0.117 0.000 2.483 385 N HA 0.085 4.825 4.740 -0.000 0.000 0.264 385 N C 1.196 176.706 175.510 0.001 0.000 1.197 385 N CA 0.603 53.666 53.050 0.020 0.000 0.927 385 N CB 1.080 39.509 38.487 -0.097 0.000 1.065 385 N HN 0.134 nan 8.380 nan 0.000 0.461 386 G N 3.865 112.646 108.800 -0.032 0.000 2.418 386 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 386 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 386 G C 1.547 176.439 174.900 -0.013 0.000 1.158 386 G CA 0.648 45.741 45.100 -0.011 0.000 0.771 386 G HN 0.700 nan 8.290 nan 0.000 0.545 387 R N 0.781 121.253 120.500 -0.048 0.000 2.092 387 R HA 0.152 4.492 4.340 -0.000 0.000 0.231 387 R C 2.746 179.058 176.300 0.020 0.000 1.119 387 R CA 1.644 57.731 56.100 -0.023 0.000 0.970 387 R CB -0.552 29.717 30.300 -0.052 0.000 0.864 387 R HN 0.229 nan 8.270 nan 0.000 0.440 388 A N 0.656 123.500 122.820 0.039 0.000 1.933 388 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 388 A C 2.167 179.804 177.584 0.089 0.000 1.175 388 A CA 1.419 53.528 52.037 0.120 0.000 0.628 388 A CB -0.591 18.537 19.000 0.212 0.000 0.814 388 A HN 0.380 nan 8.150 nan 0.000 0.444 389 L N -0.892 120.369 121.223 0.062 0.000 2.083 389 L HA -0.182 4.157 4.340 -0.000 0.000 0.209 389 L C 3.050 179.944 176.870 0.039 0.000 1.083 389 L CA 1.062 55.932 54.840 0.049 0.000 0.752 389 L CB -0.383 41.700 42.059 0.041 0.000 0.899 389 L HN 0.436 nan 8.230 nan 0.000 0.433 390 A N -0.233 122.607 122.820 0.034 0.000 1.930 390 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 390 A C 2.166 179.768 177.584 0.031 0.000 1.175 390 A CA 1.207 53.261 52.037 0.028 0.000 0.627 390 A CB -0.583 18.430 19.000 0.022 0.000 0.815 390 A HN 0.375 nan 8.150 nan 0.000 0.443 391 L N -1.551 119.696 121.223 0.040 0.000 2.291 391 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 391 L C 0.934 177.829 176.870 0.041 0.000 1.120 391 L CA 0.742 55.607 54.840 0.043 0.000 0.799 391 L CB -0.496 41.597 42.059 0.057 0.000 0.925 391 L HN 0.523 nan 8.230 nan 0.000 0.446 392 N N 0.390 119.116 118.700 0.043 0.000 2.754 392 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 392 N C -0.557 174.974 175.510 0.034 0.000 1.093 392 N CA 0.671 53.742 53.050 0.036 0.000 0.699 392 N CB -0.906 37.597 38.487 0.028 0.000 1.016 392 N HN 0.332 nan 8.380 nan 0.000 0.552 393 D N -0.844 119.582 120.400 0.044 0.000 2.389 393 D HA 0.320 4.960 4.640 -0.000 0.000 0.256 393 D C -0.062 176.265 176.300 0.045 0.000 1.239 393 D CA -0.168 53.846 54.000 0.025 0.000 0.925 393 D CB 0.791 41.599 40.800 0.014 0.000 1.145 393 D HN 0.130 nan 8.370 nan 0.000 0.542 394 T N 1.856 116.432 114.554 0.036 0.000 3.044 394 T HA 0.109 4.459 4.350 -0.000 0.000 0.260 394 T C -0.401 174.319 174.700 0.033 0.000 1.019 394 T CA -0.189 61.955 62.100 0.074 0.000 0.921 394 T CB 0.134 69.046 68.868 0.074 0.000 1.053 394 T HN 0.239 nan 8.240 nan 0.000 0.533 395 D N 1.812 122.188 120.400 -0.039 0.000 2.325 395 D HA 0.560 5.200 4.640 -0.000 0.000 0.251 395 D C 0.615 176.792 176.300 -0.205 0.000 1.196 395 D CA 0.518 54.477 54.000 -0.068 0.000 0.866 395 D CB 1.081 41.839 40.800 -0.069 0.000 1.101 395 D HN 0.471 nan 8.370 nan 0.000 0.476 396 G N 0.619 109.316 108.800 -0.171 0.000 2.361 396 G HA2 0.425 4.385 3.960 -0.000 0.000 0.305 396 G HA3 0.425 4.385 3.960 -0.000 0.000 0.305 396 G C -1.576 173.272 174.900 -0.087 0.000 1.367 396 G CA -0.942 43.889 45.100 -0.448 0.000 0.951 396 G HN 0.407 nan 8.290 nan 0.000 0.615 397 F N -1.975 117.946 119.950 -0.049 0.000 2.858 397 F HA 0.859 5.386 4.527 -0.000 0.000 0.319 397 F C -1.789 174.218 175.800 0.345 0.000 1.166 397 F CA -1.472 56.706 58.000 0.296 0.000 0.899 397 F CB 1.401 40.485 39.000 0.141 0.000 1.332 397 F HN 0.755 nan 8.300 nan 0.000 0.461 398 L N 2.106 123.735 121.223 0.678 0.000 2.365 398 L HA 0.686 5.026 4.340 -0.000 0.000 0.273 398 L C -1.211 175.929 176.870 0.451 0.000 1.000 398 L CA -0.507 54.604 54.840 0.452 0.000 0.819 398 L CB 1.869 44.103 42.059 0.292 0.000 1.284 398 L HN 0.819 nan 8.230 nan 0.000 0.418 399 K N 5.294 125.901 120.400 0.345 0.000 2.443 399 K HA 0.535 4.855 4.320 -0.000 0.000 0.252 399 K C -1.867 174.814 176.600 0.135 0.000 0.933 399 K CA -0.621 55.808 56.287 0.237 0.000 0.792 399 K CB 1.597 34.255 32.500 0.265 0.000 1.185 399 K HN 0.624 nan 8.250 nan 0.000 0.425 400 L N 4.383 125.662 121.223 0.093 0.000 2.305 400 L HA 0.414 4.754 4.340 -0.000 0.000 0.284 400 L C -0.583 176.311 176.870 0.040 0.000 1.013 400 L CA -1.199 53.672 54.840 0.052 0.000 0.819 400 L CB 1.920 44.001 42.059 0.037 0.000 1.227 400 L HN 0.309 nan 8.230 nan 0.000 0.417 401 V N 4.949 124.879 119.914 0.027 0.000 2.334 401 V HA 0.285 4.405 4.120 -0.000 0.000 0.267 401 V C 0.123 176.215 176.094 -0.004 0.000 1.040 401 V CA -0.493 61.821 62.300 0.024 0.000 0.866 401 V CB 1.511 33.357 31.823 0.039 0.000 1.019 401 V HN 0.415 nan 8.190 nan 0.000 0.468 402 V N 5.334 125.246 119.914 -0.004 0.000 2.459 402 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 402 V C 0.453 176.532 176.094 -0.025 0.000 1.029 402 V CA -1.040 61.250 62.300 -0.017 0.000 0.874 402 V CB 1.765 33.584 31.823 -0.007 0.000 0.985 402 V HN 0.753 nan 8.190 nan 0.000 0.438 403 R N 2.822 123.297 120.500 -0.043 0.000 2.399 403 R HA 0.067 4.406 4.340 -0.000 0.000 0.324 403 R C 1.498 177.783 176.300 -0.026 0.000 1.030 403 R CA -0.111 55.963 56.100 -0.044 0.000 0.984 403 R CB 0.379 30.644 30.300 -0.059 0.000 0.961 403 R HN 0.717 nan 8.270 nan 0.000 0.433 404 K N 3.187 123.577 120.400 -0.017 0.000 2.113 404 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 404 K C 0.738 177.332 176.600 -0.011 0.000 1.047 404 K CA 1.710 57.991 56.287 -0.010 0.000 0.928 404 K CB 0.196 32.693 32.500 -0.004 0.000 0.716 404 K HN 0.551 nan 8.250 nan 0.000 0.446 405 E N -0.046 120.145 120.200 -0.014 0.000 2.472 405 E HA -0.142 4.208 4.350 -0.000 0.000 0.200 405 E C -0.044 176.548 176.600 -0.014 0.000 1.046 405 E CA 1.173 57.566 56.400 -0.013 0.000 0.871 405 E CB 0.168 29.860 29.700 -0.013 0.000 0.806 405 E HN 0.569 nan 8.360 nan 0.000 0.533 406 D N -2.920 117.470 120.400 -0.017 0.000 2.619 406 D HA 0.051 4.691 4.640 -0.000 0.000 0.300 406 D C 0.931 177.222 176.300 -0.016 0.000 1.502 406 D CA 0.356 54.347 54.000 -0.016 0.000 0.865 406 D CB -0.512 40.278 40.800 -0.018 0.000 1.343 406 D HN 0.057 nan 8.370 nan 0.000 0.447 407 G N 0.348 109.139 108.800 -0.015 0.000 2.180 407 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 407 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 407 G C 0.259 175.148 174.900 -0.017 0.000 0.989 407 G CA 0.563 45.655 45.100 -0.014 0.000 0.692 407 G HN 0.508 nan 8.290 nan 0.000 0.526 408 V N 1.839 121.738 119.914 -0.025 0.000 2.455 408 V HA 0.331 4.451 4.120 -0.000 0.000 0.273 408 V C 1.243 177.313 176.094 -0.039 0.000 1.045 408 V CA -0.435 61.847 62.300 -0.031 0.000 0.976 408 V CB 1.107 32.907 31.823 -0.037 0.000 0.993 408 V HN 0.323 nan 8.190 nan 0.000 0.475 409 I N 6.572 127.123 120.570 -0.031 0.000 2.533 409 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 409 I C 1.164 177.250 176.117 -0.052 0.000 1.109 409 I CA 0.407 61.687 61.300 -0.033 0.000 1.412 409 I CB 0.536 38.526 38.000 -0.017 0.000 1.396 409 I HN 0.708 nan 8.210 nan 0.000 0.543 410 I N 1.989 122.515 120.570 -0.073 0.000 4.403 410 I HA 0.556 4.726 4.170 -0.000 0.000 0.331 410 I C 0.623 176.705 176.117 -0.059 0.000 1.327 410 I CA -0.133 61.096 61.300 -0.118 0.000 1.175 410 I CB 0.770 38.608 38.000 -0.270 0.000 1.165 410 I HN 0.543 nan 8.210 nan 0.000 0.413 411 G N 1.144 109.927 108.800 -0.028 0.000 2.703 411 G HA2 0.766 4.726 3.960 -0.000 0.000 0.294 411 G HA3 0.766 4.726 3.960 -0.000 0.000 0.294 411 G C -1.945 172.934 174.900 -0.036 0.000 1.451 411 G CA -0.215 44.873 45.100 -0.021 0.000 0.869 411 G HN 0.429 nan 8.290 nan 0.000 0.516 412 A N 0.503 123.280 122.820 -0.071 0.000 2.517 412 A HA 0.838 5.158 4.320 -0.000 0.000 0.297 412 A C -1.242 176.310 177.584 -0.054 0.000 1.050 412 A CA -0.615 51.403 52.037 -0.031 0.000 0.694 412 A CB 2.200 21.196 19.000 -0.006 0.000 1.277 412 A HN 0.618 nan 8.150 nan 0.000 0.400 413 Q N 0.563 120.379 119.800 0.027 0.000 2.323 413 Q HA 0.749 5.089 4.340 -0.000 0.000 0.271 413 Q C -1.200 174.848 176.000 0.080 0.000 1.048 413 Q CA -0.002 55.833 55.803 0.054 0.000 0.792 413 Q CB 2.395 31.221 28.738 0.147 0.000 1.280 413 Q HN 0.672 nan 8.270 nan 0.000 0.441 414 I N 2.298 122.860 120.570 -0.012 0.000 2.545 414 I HA 0.599 4.769 4.170 -0.000 0.000 0.292 414 I C -1.092 174.873 176.117 -0.253 0.000 1.040 414 I CA -1.155 60.111 61.300 -0.057 0.000 1.068 414 I CB 1.841 39.861 38.000 0.032 0.000 1.251 414 I HN 0.516 nan 8.210 nan 0.000 0.424 415 I N 4.936 125.208 120.570 -0.496 0.000 2.468 415 I HA 0.907 5.076 4.170 -0.000 0.000 0.285 415 I C -0.189 175.466 176.117 -0.770 0.000 1.039 415 I CA 0.445 61.379 61.300 -0.611 0.000 1.074 415 I CB 1.467 38.988 38.000 -0.799 0.000 1.228 415 I HN 0.785 nan 8.210 nan 0.000 0.436 416 G N 6.334 114.744 108.800 -0.649 0.000 2.368 416 G HA2 0.197 4.157 3.960 -0.000 0.000 0.302 416 G HA3 0.197 4.157 3.960 -0.000 0.000 0.302 416 G C -3.363 171.298 174.900 -0.398 0.000 1.329 416 G CA -0.852 43.745 45.100 -0.838 0.000 0.935 416 G HN 0.447 nan 8.290 nan 0.000 0.590 417 P HA 0.132 nan 4.420 nan 0.000 0.264 417 P C 0.035 177.372 177.300 0.061 0.000 1.193 417 P CA 0.590 63.671 63.100 -0.031 0.000 0.763 417 P CB 0.368 32.093 31.700 0.041 0.000 0.810 418 N N 0.690 119.396 118.700 0.011 0.000 2.782 418 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 418 N C 1.150 176.671 175.510 0.018 0.000 1.101 418 N CA 1.257 54.324 53.050 0.028 0.000 0.764 418 N CB -1.930 36.590 38.487 0.055 0.000 1.122 418 N HN 0.584 nan 8.380 nan 0.000 0.561 419 A N 0.337 123.140 122.820 -0.029 0.000 1.978 419 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 419 A C 2.228 179.758 177.584 -0.090 0.000 1.170 419 A CA 2.302 54.310 52.037 -0.048 0.000 0.636 419 A CB -0.641 18.275 19.000 -0.140 0.000 0.810 419 A HN 0.692 nan 8.150 nan 0.000 0.448 420 S N -0.226 115.387 115.700 -0.145 0.000 2.419 420 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 420 S C 1.229 175.794 174.600 -0.057 0.000 1.016 420 S CA 1.404 59.508 58.200 -0.161 0.000 0.974 420 S CB -0.296 62.767 63.200 -0.229 0.000 0.786 420 S HN 0.569 nan 8.310 nan 0.000 0.492 421 D N 1.148 121.539 120.400 -0.016 0.000 2.277 421 D HA 0.221 4.861 4.640 -0.000 0.000 0.209 421 D C 1.870 178.173 176.300 0.006 0.000 0.970 421 D CA 0.694 54.698 54.000 0.007 0.000 0.874 421 D CB -0.260 40.554 40.800 0.024 0.000 0.982 421 D HN 0.427 nan 8.370 nan 0.000 0.504 422 M N 0.185 119.791 119.600 0.011 0.000 2.394 422 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 422 M C 1.972 178.277 176.300 0.010 0.000 1.073 422 M CA 0.413 55.724 55.300 0.019 0.000 1.111 422 M CB 0.106 32.730 32.600 0.040 0.000 1.401 422 M HN -0.056 nan 8.290 nan 0.000 0.448 423 I N 1.123 121.689 120.570 -0.008 0.000 2.286 423 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 423 I C 2.468 178.578 176.117 -0.012 0.000 1.115 423 I CA 1.364 62.653 61.300 -0.018 0.000 1.392 423 I CB -0.563 37.409 38.000 -0.046 0.000 1.065 423 I HN 0.208 nan 8.210 nan 0.000 0.418 424 A N -0.192 122.622 122.820 -0.009 0.000 1.903 424 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 424 A C 2.393 179.978 177.584 0.002 0.000 1.191 424 A CA 2.329 54.364 52.037 -0.003 0.000 0.638 424 A CB -0.976 18.026 19.000 0.003 0.000 0.823 424 A HN 0.628 nan 8.150 nan 0.000 0.451 425 E N -0.145 120.060 120.200 0.008 0.000 2.023 425 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 425 E C 2.016 178.625 176.600 0.015 0.000 1.003 425 E CA 1.469 57.878 56.400 0.014 0.000 0.809 425 E CB -0.277 29.443 29.700 0.033 0.000 0.755 425 E HN 0.644 nan 8.360 nan 0.000 0.449 426 L N 0.249 121.481 121.223 0.015 0.000 2.079 426 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 426 L C 2.682 179.552 176.870 0.001 0.000 1.081 426 L CA 1.200 56.045 54.840 0.009 0.000 0.752 426 L CB -0.790 41.273 42.059 0.006 0.000 0.896 426 L HN 0.304 nan 8.230 nan 0.000 0.433 427 G N 0.414 109.211 108.800 -0.004 0.000 2.433 427 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 427 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 427 G C 1.591 176.491 174.900 -0.001 0.000 1.186 427 G CA 0.776 45.871 45.100 -0.008 0.000 0.779 427 G HN 0.232 nan 8.290 nan 0.000 0.543 428 L N 1.270 122.495 121.223 0.002 0.000 2.079 428 L HA 0.084 4.424 4.340 -0.000 0.000 0.210 428 L C 3.067 179.941 176.870 0.006 0.000 1.081 428 L CA 2.078 56.921 54.840 0.005 0.000 0.752 428 L CB -0.463 41.599 42.059 0.004 0.000 0.896 428 L HN 0.249 nan 8.230 nan 0.000 0.433 429 A N -0.238 122.585 122.820 0.005 0.000 1.877 429 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 429 A C 2.122 179.707 177.584 0.001 0.000 1.186 429 A CA 1.839 53.878 52.037 0.005 0.000 0.620 429 A CB -0.691 18.314 19.000 0.008 0.000 0.822 429 A HN 0.403 nan 8.150 nan 0.000 0.443 430 I N -0.148 120.422 120.570 -0.000 0.000 2.099 430 I HA -0.226 3.944 4.170 -0.000 0.000 0.239 430 I C 2.439 178.559 176.117 0.006 0.000 1.066 430 I CA 2.057 63.356 61.300 -0.002 0.000 1.324 430 I CB -1.645 36.356 38.000 0.001 0.000 1.037 430 I HN 0.382 nan 8.210 nan 0.000 0.401 431 E N 1.102 121.311 120.200 0.014 0.000 2.147 431 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 431 E C 1.926 178.539 176.600 0.022 0.000 1.005 431 E CA 1.844 58.259 56.400 0.025 0.000 0.810 431 E CB -0.153 29.563 29.700 0.026 0.000 0.736 431 E HN 0.472 nan 8.360 nan 0.000 0.460 432 A N -1.081 121.748 122.820 0.014 0.000 2.308 432 A HA 0.424 4.744 4.320 -0.000 0.000 0.217 432 A C 1.390 178.977 177.584 0.005 0.000 1.216 432 A CA 0.633 52.677 52.037 0.012 0.000 0.864 432 A CB -0.320 18.686 19.000 0.010 0.000 0.902 432 A HN 0.398 nan 8.150 nan 0.000 0.499 433 G N -0.144 108.656 108.800 -0.000 0.000 2.289 433 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 433 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 433 G C 0.028 174.923 174.900 -0.008 0.000 1.089 433 G CA 0.512 45.607 45.100 -0.008 0.000 0.939 433 G HN 0.399 nan 8.290 nan 0.000 0.499 434 M N 0.225 119.821 119.600 -0.006 0.000 2.368 434 M HA 0.551 5.031 4.480 -0.000 0.000 0.311 434 M C 1.203 177.499 176.300 -0.007 0.000 1.168 434 M CA 0.052 55.350 55.300 -0.004 0.000 1.044 434 M CB 1.295 33.896 32.600 0.001 0.000 1.506 434 M HN 0.515 nan 8.290 nan 0.000 0.475 435 T N -1.847 112.705 114.554 -0.005 0.000 2.948 435 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 435 T C 0.872 175.571 174.700 -0.003 0.000 1.019 435 T CA -0.436 61.660 62.100 -0.006 0.000 1.013 435 T CB 1.469 70.333 68.868 -0.007 0.000 1.117 435 T HN 0.671 nan 8.240 nan 0.000 0.533 436 A N 0.004 122.821 122.820 -0.005 0.000 1.978 436 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 436 A C 2.206 179.788 177.584 -0.004 0.000 1.170 436 A CA 2.018 54.052 52.037 -0.005 0.000 0.636 436 A CB -1.116 17.881 19.000 -0.006 0.000 0.810 436 A HN 1.022 nan 8.150 nan 0.000 0.448 437 E N -0.249 119.950 120.200 -0.002 0.000 2.107 437 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 437 E C 1.243 177.847 176.600 0.006 0.000 0.982 437 E CA 1.217 57.617 56.400 -0.000 0.000 0.809 437 E CB -0.153 29.546 29.700 -0.001 0.000 0.756 437 E HN 0.542 nan 8.360 nan 0.000 0.459 438 D N 0.632 121.036 120.400 0.007 0.000 2.123 438 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 438 D C 1.920 178.236 176.300 0.027 0.000 0.992 438 D CA 1.238 55.245 54.000 0.011 0.000 0.833 438 D CB -0.075 40.729 40.800 0.007 0.000 0.954 438 D HN 0.303 nan 8.370 nan 0.000 0.455 439 I N 0.440 121.031 120.570 0.035 0.000 2.333 439 I HA -0.149 4.021 4.170 -0.000 0.000 0.246 439 I C 2.320 178.494 176.117 0.094 0.000 1.106 439 I CA 0.762 62.108 61.300 0.077 0.000 1.411 439 I CB -0.219 37.815 38.000 0.056 0.000 1.082 439 I HN -0.055 nan 8.210 nan 0.000 0.420 440 A N 0.491 123.326 122.820 0.024 0.000 2.019 440 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 440 A C 1.926 179.524 177.584 0.023 0.000 1.164 440 A CA 1.375 53.410 52.037 -0.004 0.000 0.644 440 A CB -0.447 18.539 19.000 -0.024 0.000 0.805 440 A HN 0.332 nan 8.150 nan 0.000 0.449 441 L N -0.148 121.094 121.223 0.033 0.000 2.591 441 L HA 0.126 4.466 4.340 -0.000 0.000 0.228 441 L C 0.416 177.310 176.870 0.040 0.000 1.133 441 L CA 0.817 55.673 54.840 0.027 0.000 0.880 441 L CB -0.470 41.597 42.059 0.013 0.000 1.033 441 L HN 0.086 nan 8.230 nan 0.000 0.450 442 T N 0.715 115.316 114.554 0.079 0.000 2.743 442 T HA 0.412 4.762 4.350 -0.000 0.000 0.293 442 T C 0.452 175.229 174.700 0.128 0.000 0.945 442 T CA -0.295 61.836 62.100 0.052 0.000 1.030 442 T CB 0.986 69.858 68.868 0.006 0.000 0.912 442 T HN -0.107 nan 8.240 nan 0.000 0.483 443 I N 4.405 125.004 120.570 0.048 0.000 2.452 443 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 443 I C 0.570 176.716 176.117 0.049 0.000 1.079 443 I CA -0.320 61.035 61.300 0.091 0.000 1.387 443 I CB 0.277 38.296 38.000 0.031 0.000 1.404 443 I HN 0.628 nan 8.210 nan 0.000 0.522 444 H N 4.052 123.120 119.070 -0.002 0.000 2.530 444 H HA 0.645 5.201 4.556 -0.000 0.000 0.342 444 H C 0.187 175.529 175.328 0.022 0.000 1.312 444 H CA -0.640 55.406 56.048 -0.004 0.000 1.376 444 H CB 0.791 30.537 29.762 -0.027 0.000 1.692 444 H HN 0.658 nan 8.280 nan 0.000 0.622 445 A N -0.028 122.867 122.820 0.126 0.000 2.322 445 A HA 0.406 4.726 4.320 -0.000 0.000 0.269 445 A C -0.860 176.794 177.584 0.117 0.000 1.094 445 A CA 0.039 52.130 52.037 0.090 0.000 0.807 445 A CB -0.042 18.983 19.000 0.040 0.000 1.047 445 A HN 0.820 nan 8.150 nan 0.000 0.487 446 H N 0.716 119.791 119.070 0.008 0.000 2.759 446 H HA 0.563 5.119 4.556 -0.000 0.000 0.354 446 H C -2.525 172.803 175.328 -0.001 0.000 1.074 446 H CA -0.940 55.107 56.048 -0.002 0.000 1.226 446 H CB 1.784 31.543 29.762 -0.004 0.000 1.648 446 H HN 0.618 nan 8.280 nan 0.000 0.529 447 P HA 0.288 nan 4.420 nan 0.000 0.301 447 P C -1.119 176.108 177.300 -0.121 0.000 1.348 447 P CA -0.555 62.455 63.100 -0.150 0.000 0.826 447 P CB 1.640 33.304 31.700 -0.060 0.000 0.945 448 T N -0.899 113.547 114.554 -0.180 0.000 2.838 448 T HA 0.441 4.791 4.350 -0.000 0.000 0.292 448 T C 0.964 175.569 174.700 -0.158 0.000 1.113 448 T CA -0.853 61.181 62.100 -0.110 0.000 1.008 448 T CB 0.959 69.794 68.868 -0.056 0.000 1.259 448 T HN 0.099 nan 8.240 nan 0.000 0.520 449 L N 0.213 121.363 121.223 -0.121 0.000 2.202 449 L HA 0.269 4.609 4.340 -0.000 0.000 0.205 449 L C 2.939 179.690 176.870 -0.199 0.000 1.083 449 L CA 0.981 55.702 54.840 -0.199 0.000 0.790 449 L CB -0.800 41.203 42.059 -0.095 0.000 0.942 449 L HN 0.995 nan 8.230 nan 0.000 0.452 450 G N 1.072 109.819 108.800 -0.088 0.000 2.485 450 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.221 450 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.221 450 G C 1.312 176.188 174.900 -0.040 0.000 1.115 450 G CA 1.066 46.149 45.100 -0.028 0.000 0.751 450 G HN 0.663 nan 8.290 nan 0.000 0.567 451 E N 0.202 120.336 120.200 -0.109 0.000 2.409 451 E HA 0.017 4.367 4.350 -0.000 0.000 0.198 451 E C 2.143 178.497 176.600 -0.410 0.000 1.024 451 E CA 0.246 56.499 56.400 -0.245 0.000 0.861 451 E CB -0.334 29.262 29.700 -0.173 0.000 0.788 451 E HN 0.510 nan 8.360 nan 0.000 0.521 452 I N 1.768 122.113 120.570 -0.375 0.000 2.335 452 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 452 I C 2.669 178.538 176.117 -0.414 0.000 1.129 452 I CA 1.042 62.077 61.300 -0.441 0.000 1.402 452 I CB -0.404 37.350 38.000 -0.409 0.000 1.069 452 I HN 0.242 nan 8.210 nan 0.000 0.424 453 A N 0.730 123.368 122.820 -0.304 0.000 1.908 453 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 453 A C 2.423 179.801 177.584 -0.343 0.000 1.181 453 A CA 2.062 53.962 52.037 -0.227 0.000 0.627 453 A CB -0.640 18.294 19.000 -0.110 0.000 0.818 453 A HN 0.494 nan 8.150 nan 0.000 0.445 454 M N -1.015 118.216 119.600 -0.614 0.000 2.086 454 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 454 M C 1.720 177.774 176.300 -0.409 0.000 1.067 454 M CA 1.907 56.844 55.300 -0.605 0.000 1.116 454 M CB -0.174 31.908 32.600 -0.862 0.000 1.348 454 M HN 0.306 nan 8.290 nan 0.000 0.407 455 E N 0.392 120.270 120.200 -0.536 0.000 2.208 455 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 455 E C 1.974 178.233 176.600 -0.568 0.000 0.988 455 E CA 1.214 57.221 56.400 -0.653 0.000 0.828 455 E CB -0.215 28.816 29.700 -1.116 0.000 0.763 455 E HN 0.661 nan 8.360 nan 0.000 0.478 456 A N 1.265 123.821 122.820 -0.439 0.000 1.897 456 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 456 A C 2.390 179.941 177.584 -0.055 0.000 1.181 456 A CA 1.563 53.534 52.037 -0.110 0.000 0.620 456 A CB -0.410 18.584 19.000 -0.010 0.000 0.821 456 A HN 0.244 nan 8.150 nan 0.000 0.443 457 A N -0.196 122.566 122.820 -0.097 0.000 1.933 457 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 457 A C 1.901 179.457 177.584 -0.047 0.000 1.175 457 A CA 1.592 53.596 52.037 -0.055 0.000 0.628 457 A CB -0.493 18.472 19.000 -0.058 0.000 0.814 457 A HN 0.623 nan 8.150 nan 0.000 0.444 458 E N -0.368 119.784 120.200 -0.079 0.000 2.085 458 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 458 E C 1.965 178.559 176.600 -0.010 0.000 0.994 458 E CA 1.406 57.775 56.400 -0.052 0.000 0.801 458 E CB -0.229 29.423 29.700 -0.080 0.000 0.743 458 E HN 0.421 nan 8.360 nan 0.000 0.453 459 V N 1.160 121.081 119.914 0.012 0.000 2.407 459 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 459 V C 2.282 178.400 176.094 0.040 0.000 1.055 459 V CA 1.722 64.060 62.300 0.064 0.000 1.049 459 V CB -0.621 31.291 31.823 0.149 0.000 0.662 459 V HN 0.303 nan 8.190 nan 0.000 0.455 460 A N -0.538 122.297 122.820 0.025 0.000 1.969 460 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 460 A C 1.397 178.987 177.584 0.010 0.000 1.169 460 A CA 0.980 53.028 52.037 0.018 0.000 0.635 460 A CB -0.329 18.678 19.000 0.011 0.000 0.810 460 A HN 0.469 nan 8.150 nan 0.000 0.445 461 L N 0.000 121.226 121.223 0.005 0.000 2.949 461 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 461 L CA 0.000 54.842 54.840 0.002 0.000 0.813 461 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502