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 2y0s_1_C DATA FIRST_RESID 11 DATA SEQUENCE SYLEEKVKQA SNILPQKIVE DLKNLISNKE VLVTRDEIDK IFDLAIKEYS DATA SEQUENCE EGLIAPGEAI GIVAAQSVGE PGTQXXXXXX XXXXXXXXXX XLGLPRLIEI DATA SEQUENCE VDAKKVPSTP MMTIYLTDEY KHDKEKALEV ARKLEYTKIE NVVSSTSIDI DATA SEQUENCE ASMSIILQLD NEMLKDKGVT VDDVKKAINR LKLGEFVIDE SEGNTLNISF DATA SEQUENCE ANIDSIAALF KLRDKILNTK IKGIKGIKRA IVQKKGDEYI ILTDGSNLSG DATA SEQUENCE VLSVKGVDIA KVETNNIREI EEVFGIEAAR EIIIREISKV LAEQGLDVDM DATA SEQUENCE RHILLVADVM TRTGVVRQIG RHGVTGEKNS VLARAAFEVT VKHLLDAAAR DATA SEQUENCE GDVEEFKGVV ENIIIGHPIK LGTGMVELTM RPILR 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.601 174.600 0.001 0.000 1.055 11 S CA 0.000 58.137 58.200 -0.106 0.000 1.107 11 S CB 0.000 63.142 63.200 -0.097 0.000 0.593 12 Y N 1.394 121.690 120.300 -0.008 0.000 2.686 12 Y HA -0.293 4.258 4.550 0.002 0.000 0.483 12 Y C 1.028 176.923 175.900 -0.009 0.000 1.027 12 Y CA 1.870 59.966 58.100 -0.006 0.000 3.093 12 Y CB -1.376 37.081 38.460 -0.004 0.000 0.994 12 Y HN 0.465 nan 8.280 nan 0.000 0.586 13 L N 0.854 122.181 121.223 0.174 0.000 3.073 13 L HA 0.268 4.609 4.340 0.002 0.000 0.242 13 L C 1.388 178.274 176.870 0.025 0.000 1.317 13 L CA 0.466 55.349 54.840 0.072 0.000 1.081 13 L CB 0.376 42.462 42.059 0.045 0.000 1.456 13 L HN 0.269 nan 8.230 nan 0.000 0.525 14 E N 0.727 120.939 120.200 0.021 0.000 2.085 14 E HA -0.272 4.079 4.350 0.002 0.000 0.194 14 E C 1.971 178.563 176.600 -0.013 0.000 0.994 14 E CA 1.656 58.054 56.400 -0.003 0.000 0.801 14 E CB 0.205 29.898 29.700 -0.011 0.000 0.743 14 E HN 0.576 nan 8.360 nan 0.000 0.453 15 E N 0.517 120.712 120.200 -0.007 0.000 2.049 15 E HA -0.322 4.029 4.350 0.002 0.000 0.198 15 E C 2.064 178.650 176.600 -0.023 0.000 1.007 15 E CA 1.683 58.076 56.400 -0.010 0.000 0.809 15 E CB -0.183 29.517 29.700 -0.000 0.000 0.749 15 E HN 0.183 nan 8.360 nan 0.000 0.450 16 K N 0.230 120.609 120.400 -0.035 0.000 2.148 16 K HA -0.087 4.234 4.320 0.002 0.000 0.204 16 K C 2.117 178.652 176.600 -0.109 0.000 1.050 16 K CA 1.011 57.254 56.287 -0.073 0.000 0.942 16 K CB -0.018 32.424 32.500 -0.097 0.000 0.724 16 K HN 0.145 nan 8.250 nan 0.000 0.446 17 V N 1.524 121.383 119.914 -0.092 0.000 2.515 17 V HA -0.183 3.938 4.120 0.002 0.000 0.250 17 V C 1.711 177.766 176.094 -0.065 0.000 1.058 17 V CA 1.700 63.943 62.300 -0.094 0.000 1.064 17 V CB -0.206 31.577 31.823 -0.068 0.000 0.675 17 V HN 0.329 nan 8.190 nan 0.000 0.461 18 K N -0.895 119.478 120.400 -0.045 0.000 2.155 18 K HA -0.100 4.221 4.320 0.002 0.000 0.203 18 K C 2.173 178.754 176.600 -0.031 0.000 1.052 18 K CA 1.188 57.456 56.287 -0.032 0.000 0.948 18 K CB -0.099 32.388 32.500 -0.022 0.000 0.728 18 K HN 0.543 nan 8.250 nan 0.000 0.448 19 Q N 0.147 119.925 119.800 -0.036 0.000 2.083 19 Q HA -0.060 4.281 4.340 0.002 0.000 0.198 19 Q C 2.178 178.158 176.000 -0.032 0.000 0.969 19 Q CA 1.283 57.070 55.803 -0.026 0.000 0.838 19 Q CB -0.033 28.692 28.738 -0.021 0.000 0.900 19 Q HN 0.304 nan 8.270 nan 0.000 0.436 20 A N 0.395 123.175 122.820 -0.066 0.000 1.929 20 A HA -0.100 4.221 4.320 0.002 0.000 0.216 20 A C 2.052 179.614 177.584 -0.038 0.000 1.176 20 A CA 1.405 53.401 52.037 -0.068 0.000 0.628 20 A CB -0.405 18.494 19.000 -0.167 0.000 0.816 20 A HN 0.267 nan 8.150 nan 0.000 0.444 21 S N -0.489 115.186 115.700 -0.041 0.000 2.660 21 S HA -0.044 4.427 4.470 0.002 0.000 0.223 21 S C 1.379 175.971 174.600 -0.015 0.000 0.963 21 S CA 0.895 59.080 58.200 -0.025 0.000 0.932 21 S CB -0.582 62.602 63.200 -0.027 0.000 0.775 21 S HN 0.581 nan 8.310 nan 0.000 0.531 22 N N 0.618 119.311 118.700 -0.013 0.000 2.294 22 N HA 0.231 4.972 4.740 0.002 0.000 0.186 22 N C 1.151 176.661 175.510 -0.000 0.000 1.107 22 N CA 0.208 53.254 53.050 -0.006 0.000 0.884 22 N CB 0.031 38.514 38.487 -0.006 0.000 1.030 22 N HN 0.306 nan 8.380 nan 0.000 0.482 23 I N 0.732 121.304 120.570 0.003 0.000 2.716 23 I HA -0.044 4.127 4.170 0.002 0.000 0.259 23 I C 1.885 178.008 176.117 0.010 0.000 1.172 23 I CA 0.475 61.782 61.300 0.012 0.000 1.478 23 I CB -0.765 37.250 38.000 0.025 0.000 1.104 23 I HN 0.166 nan 8.210 nan 0.000 0.439 24 L N 1.847 123.074 121.223 0.007 0.000 1.994 24 L HA -0.117 4.224 4.340 0.002 0.000 0.208 24 L C -0.477 176.395 176.870 0.003 0.000 1.071 24 L CA 1.588 56.432 54.840 0.007 0.000 0.745 24 L CB -1.992 40.070 42.059 0.005 0.000 0.892 24 L HN 0.182 nan 8.230 nan 0.000 0.431 25 P HA -0.070 nan 4.420 nan 0.000 0.258 25 P C 0.720 178.020 177.300 -0.002 0.000 1.319 25 P CA 0.751 63.850 63.100 -0.001 0.000 0.785 25 P CB 0.172 31.870 31.700 -0.002 0.000 1.252 26 Q N 0.092 119.891 119.800 -0.001 0.000 2.200 26 Q HA 0.053 4.394 4.340 0.002 0.000 0.197 26 Q C 0.683 176.679 176.000 -0.005 0.000 0.953 26 Q CA 0.687 56.489 55.803 -0.001 0.000 0.851 26 Q CB 0.093 28.831 28.738 0.002 0.000 0.938 26 Q HN 0.141 nan 8.270 nan 0.000 0.488 27 K N 2.275 122.671 120.400 -0.007 0.000 2.480 27 K HA 0.197 4.518 4.320 0.002 0.000 0.241 27 K C -0.306 176.288 176.600 -0.011 0.000 1.261 27 K CA 0.016 56.295 56.287 -0.014 0.000 1.193 27 K CB -0.767 31.720 32.500 -0.022 0.000 1.598 27 K HN 0.264 nan 8.250 nan 0.000 0.278 28 I N 0.996 121.561 120.570 -0.009 0.000 2.906 28 I HA -0.208 3.963 4.170 0.002 0.000 0.302 28 I C 1.475 177.589 176.117 -0.006 0.000 1.220 28 I CA 0.204 61.500 61.300 -0.006 0.000 1.441 28 I CB -0.004 37.993 38.000 -0.006 0.000 1.336 28 I HN 0.154 nan 8.210 nan 0.000 0.565 29 V N 0.691 120.603 119.914 -0.004 0.000 3.426 29 V HA 0.202 4.323 4.120 0.002 0.000 0.271 29 V C 0.669 176.761 176.094 -0.002 0.000 1.530 29 V CA 0.549 62.848 62.300 -0.002 0.000 1.021 29 V CB 0.025 31.849 31.823 0.002 0.000 0.824 29 V HN 0.948 nan 8.190 nan 0.000 0.432 30 E N 2.215 122.413 120.200 -0.003 0.000 3.092 30 E HA -0.438 3.913 4.350 0.002 0.000 0.398 30 E C 1.030 177.628 176.600 -0.003 0.000 1.486 30 E CA 2.273 58.671 56.400 -0.003 0.000 1.183 30 E CB -1.987 27.710 29.700 -0.004 0.000 1.571 30 E HN 0.480 nan 8.360 nan 0.000 0.502 31 D N -0.205 120.193 120.400 -0.003 0.000 2.224 31 D HA 0.030 4.671 4.640 0.002 0.000 0.205 31 D C 2.032 178.331 176.300 -0.002 0.000 0.965 31 D CA 1.612 55.611 54.000 -0.003 0.000 0.852 31 D CB -0.154 40.643 40.800 -0.003 0.000 0.947 31 D HN 0.388 nan 8.370 nan 0.000 0.494 32 L N 0.474 121.697 121.223 -0.001 0.000 2.056 32 L HA -0.156 4.185 4.340 0.002 0.000 0.207 32 L C 2.500 179.371 176.870 0.001 0.000 1.078 32 L CA 1.398 56.239 54.840 0.001 0.000 0.749 32 L CB -0.845 41.217 42.059 0.004 0.000 0.901 32 L HN 0.139 nan 8.230 nan 0.000 0.433 33 K N 0.768 121.168 120.400 0.000 0.000 2.113 33 K HA -0.220 4.101 4.320 0.002 0.000 0.208 33 K C 1.541 178.138 176.600 -0.005 0.000 1.047 33 K CA 2.175 58.461 56.287 -0.002 0.000 0.928 33 K CB -0.595 31.903 32.500 -0.003 0.000 0.716 33 K HN 0.365 nan 8.250 nan 0.000 0.446 34 N N 1.105 119.802 118.700 -0.005 0.000 2.058 34 N HA -0.079 4.662 4.740 0.002 0.000 0.191 34 N C 1.855 177.361 175.510 -0.005 0.000 1.037 34 N CA 1.505 54.552 53.050 -0.006 0.000 0.848 34 N CB -0.214 38.270 38.487 -0.005 0.000 1.021 34 N HN 0.052 nan 8.380 nan 0.000 0.422 35 L N 0.612 121.834 121.223 -0.003 0.000 2.083 35 L HA -0.088 4.253 4.340 0.002 0.000 0.209 35 L C 2.001 178.870 176.870 -0.001 0.000 1.083 35 L CA 0.848 55.687 54.840 -0.002 0.000 0.752 35 L CB -0.380 41.679 42.059 -0.001 0.000 0.899 35 L HN 0.236 nan 8.230 nan 0.000 0.433 36 I N -1.124 119.446 120.570 -0.001 0.000 2.286 36 I HA -0.290 3.881 4.170 0.002 0.000 0.248 36 I C 2.808 178.923 176.117 -0.005 0.000 1.115 36 I CA 1.187 62.487 61.300 0.000 0.000 1.392 36 I CB -0.292 37.710 38.000 0.003 0.000 1.065 36 I HN 0.198 nan 8.210 nan 0.000 0.418 37 S N 0.976 116.671 115.700 -0.008 0.000 2.370 37 S HA -0.185 4.286 4.470 0.002 0.000 0.226 37 S C 1.860 176.455 174.600 -0.008 0.000 1.033 37 S CA 1.618 59.811 58.200 -0.011 0.000 1.011 37 S CB -0.326 62.865 63.200 -0.014 0.000 0.852 37 S HN 0.436 nan 8.310 nan 0.000 0.457 38 N N 0.785 119.482 118.700 -0.006 0.000 2.188 38 N HA -0.030 4.711 4.740 0.002 0.000 0.184 38 N C 1.200 176.708 175.510 -0.002 0.000 1.018 38 N CA 0.899 53.946 53.050 -0.004 0.000 0.858 38 N CB -0.196 38.288 38.487 -0.004 0.000 0.989 38 N HN 0.422 nan 8.380 nan 0.000 0.426 39 K N 0.898 121.297 120.400 -0.001 0.000 2.591 39 K HA 0.031 4.352 4.320 0.002 0.000 0.197 39 K C 0.880 177.481 176.600 0.001 0.000 1.026 39 K CA 0.401 56.688 56.287 0.001 0.000 1.127 39 K CB 0.296 32.797 32.500 0.002 0.000 0.871 39 K HN 0.293 nan 8.250 nan 0.000 0.507 40 E N -1.464 118.735 120.200 -0.001 0.000 2.520 40 E HA -0.003 4.348 4.350 0.002 0.000 0.201 40 E C 1.465 178.067 176.600 0.004 0.000 0.894 40 E CA 0.060 56.460 56.400 0.001 0.000 1.161 40 E CB 0.430 30.127 29.700 -0.005 0.000 1.137 40 E HN -0.065 nan 8.360 nan 0.000 0.510 41 V N 1.769 121.683 119.914 0.000 0.000 2.239 41 V HA -0.169 3.952 4.120 0.002 0.000 0.242 41 V C 2.130 178.226 176.094 0.002 0.000 1.038 41 V CA 1.488 63.789 62.300 0.001 0.000 1.002 41 V CB -0.331 31.489 31.823 -0.005 0.000 0.641 41 V HN 0.235 nan 8.190 nan 0.000 0.449 42 L N -0.009 121.214 121.223 -0.000 0.000 2.610 42 L HA 0.078 4.419 4.340 0.002 0.000 0.232 42 L C 0.288 177.159 176.870 0.002 0.000 1.149 42 L CA 0.289 55.129 54.840 -0.001 0.000 0.872 42 L CB 0.052 42.109 42.059 -0.003 0.000 0.992 42 L HN 0.197 nan 8.230 nan 0.000 0.447 43 V N -0.244 119.673 119.914 0.004 0.000 2.266 43 V HA 0.173 4.294 4.120 0.002 0.000 0.266 43 V C -0.073 176.026 176.094 0.008 0.000 1.036 43 V CA -0.563 61.740 62.300 0.005 0.000 0.828 43 V CB 0.410 32.236 31.823 0.004 0.000 1.081 43 V HN 0.338 nan 8.190 nan 0.000 0.449 44 T N 2.736 117.296 114.554 0.010 0.000 2.781 44 T HA -0.194 4.157 4.350 0.002 0.000 0.476 44 T C 0.395 175.107 174.700 0.020 0.000 0.785 44 T CA 0.410 62.519 62.100 0.015 0.000 2.497 44 T CB -0.770 68.106 68.868 0.013 0.000 1.663 44 T HN 0.631 nan 8.240 nan 0.000 0.547 45 R N 2.379 122.895 120.500 0.027 0.000 2.345 45 R HA 0.299 4.639 4.340 0.002 0.000 0.331 45 R C -0.464 175.866 176.300 0.051 0.000 1.067 45 R CA 0.084 56.206 56.100 0.036 0.000 0.962 45 R CB 0.224 30.548 30.300 0.040 0.000 0.987 45 R HN 0.633 nan 8.270 nan 0.000 0.451 46 D N 3.629 124.050 120.400 0.035 0.000 2.318 46 D HA 0.141 4.782 4.640 0.002 0.000 0.233 46 D C -0.092 176.213 176.300 0.009 0.000 1.348 46 D CA -0.186 53.830 54.000 0.026 0.000 0.983 46 D CB 0.736 41.549 40.800 0.020 0.000 1.416 46 D HN 0.633 nan 8.370 nan 0.000 0.558 47 E N 2.653 122.854 120.200 0.002 0.000 3.407 47 E HA 0.160 4.511 4.350 0.002 0.000 0.276 47 E C 1.490 178.085 176.600 -0.007 0.000 1.206 47 E CA -0.166 56.233 56.400 -0.002 0.000 1.953 47 E CB 0.531 30.233 29.700 0.004 0.000 2.046 47 E HN 0.335 nan 8.360 nan 0.000 0.950 48 I N 1.139 121.705 120.570 -0.006 0.000 4.701 48 I HA -0.472 3.699 4.170 0.002 0.000 0.046 48 I C 1.235 177.383 176.117 0.052 0.000 0.626 48 I CA 2.516 63.819 61.300 0.004 0.000 0.723 48 I CB -1.125 36.864 38.000 -0.018 0.000 0.675 48 I HN 0.122 nan 8.210 nan 0.000 0.157 49 D N 0.767 121.207 120.400 0.066 0.000 2.213 49 D HA -0.035 4.606 4.640 0.002 0.000 0.205 49 D C 1.763 178.136 176.300 0.122 0.000 0.961 49 D CA 1.166 55.240 54.000 0.124 0.000 0.853 49 D CB 0.022 40.867 40.800 0.076 0.000 0.967 49 D HN 0.470 nan 8.370 nan 0.000 0.496 50 K N 0.449 120.887 120.400 0.062 0.000 2.365 50 K HA 0.008 4.329 4.320 0.002 0.000 0.199 50 K C 1.622 178.246 176.600 0.041 0.000 1.045 50 K CA 0.360 56.677 56.287 0.049 0.000 0.962 50 K CB 0.303 32.817 32.500 0.024 0.000 0.759 50 K HN 0.150 nan 8.250 nan 0.000 0.469 51 I N 0.711 121.290 120.570 0.014 0.000 2.099 51 I HA -0.222 3.949 4.170 0.002 0.000 0.239 51 I C 1.168 177.262 176.117 -0.039 0.000 1.066 51 I CA 1.346 62.609 61.300 -0.061 0.000 1.324 51 I CB -0.641 37.267 38.000 -0.154 0.000 1.037 51 I HN 0.052 nan 8.210 nan 0.000 0.401 52 F N 1.584 121.541 119.950 0.013 0.000 2.625 52 F HA 0.003 4.531 4.527 0.002 0.000 0.373 52 F C 0.978 176.788 175.800 0.018 0.000 1.158 52 F CA 0.618 58.628 58.000 0.017 0.000 1.354 52 F CB -0.701 38.306 39.000 0.013 0.000 1.692 52 F HN 0.184 nan 8.300 nan 0.000 0.634 53 D N -1.797 118.714 120.400 0.186 0.000 1.521 53 D HA -0.007 4.634 4.640 0.002 0.000 0.712 53 D C 1.784 178.134 176.300 0.083 0.000 0.743 53 D CA 0.274 54.344 54.000 0.118 0.000 1.202 53 D CB -0.454 40.393 40.800 0.078 0.000 1.434 53 D HN 0.145 nan 8.370 nan 0.000 0.482 54 L N 0.827 122.087 121.223 0.061 0.000 2.044 54 L HA 0.199 4.540 4.340 0.002 0.000 0.205 54 L C 2.560 179.464 176.870 0.058 0.000 1.075 54 L CA 1.459 56.327 54.840 0.046 0.000 0.747 54 L CB -0.578 41.496 42.059 0.025 0.000 0.903 54 L HN 0.070 nan 8.230 nan 0.000 0.435 55 A N 1.120 123.972 122.820 0.052 0.000 1.972 55 A HA -0.147 4.174 4.320 0.002 0.000 0.219 55 A C 2.087 179.727 177.584 0.094 0.000 1.169 55 A CA 1.504 53.572 52.037 0.050 0.000 0.635 55 A CB -0.798 18.210 19.000 0.014 0.000 0.810 55 A HN 0.597 nan 8.150 nan 0.000 0.446 56 I N -3.620 117.034 120.570 0.139 0.000 3.680 56 I HA 0.208 4.379 4.170 0.002 0.000 0.306 56 I C 0.557 176.829 176.117 0.259 0.000 1.260 56 I CA 0.437 61.851 61.300 0.189 0.000 1.201 56 I CB -0.107 38.028 38.000 0.225 0.000 1.009 56 I HN -0.128 nan 8.210 nan 0.000 0.467 57 K N 1.627 122.144 120.400 0.195 0.000 3.192 57 K HA 0.119 4.440 4.320 0.002 0.000 0.269 57 K C 0.690 177.402 176.600 0.188 0.000 1.270 57 K CA 0.050 56.481 56.287 0.239 0.000 1.249 57 K CB -0.089 32.487 32.500 0.126 0.000 1.528 57 K HN 0.261 nan 8.250 nan 0.000 0.360 58 E N -0.847 119.438 120.200 0.141 0.000 2.516 58 E HA -0.112 4.239 4.350 0.002 0.000 0.199 58 E C 0.388 176.991 176.600 0.006 0.000 1.069 58 E CA 0.562 56.976 56.400 0.024 0.000 0.876 58 E CB -0.076 29.589 29.700 -0.058 0.000 0.843 58 E HN 0.436 nan 8.360 nan 0.000 0.530 59 Y N 0.210 120.516 120.300 0.012 0.000 2.315 59 Y HA -0.232 4.319 4.550 0.002 0.000 0.288 59 Y C 2.510 178.414 175.900 0.007 0.000 1.154 59 Y CA 1.372 59.478 58.100 0.009 0.000 1.229 59 Y CB -0.376 38.089 38.460 0.009 0.000 0.980 59 Y HN 0.132 nan 8.280 nan 0.000 0.540 60 S N -0.959 114.833 115.700 0.153 0.000 2.395 60 S HA -0.126 4.345 4.470 0.002 0.000 0.225 60 S C 1.895 176.522 174.600 0.045 0.000 1.027 60 S CA 0.849 59.099 58.200 0.085 0.000 0.965 60 S CB -0.207 63.034 63.200 0.068 0.000 0.812 60 S HN 0.374 nan 8.310 nan 0.000 0.482 61 E N 2.290 122.509 120.200 0.031 0.000 2.150 61 E HA -0.008 4.343 4.350 0.002 0.000 0.193 61 E C 1.292 177.891 176.600 -0.002 0.000 0.985 61 E CA 0.670 57.075 56.400 0.008 0.000 0.814 61 E CB -0.672 29.028 29.700 -0.000 0.000 0.752 61 E HN 0.612 nan 8.360 nan 0.000 0.466 62 G N 1.491 110.286 108.800 -0.009 0.000 3.090 62 G HA2 0.278 4.239 3.960 0.002 0.000 0.259 62 G HA3 0.278 4.239 3.960 0.002 0.000 0.259 62 G C -0.147 174.757 174.900 0.007 0.000 0.797 62 G CA -0.120 44.969 45.100 -0.020 0.000 2.032 62 G HN 0.065 nan 8.290 nan 0.000 0.614 63 L N 1.508 122.736 121.223 0.009 0.000 2.563 63 L HA 0.433 4.774 4.340 0.002 0.000 0.259 63 L C -0.826 176.048 176.870 0.006 0.000 1.034 63 L CA -0.450 54.399 54.840 0.014 0.000 0.899 63 L CB 0.985 43.057 42.059 0.023 0.000 1.159 63 L HN 0.181 nan 8.230 nan 0.000 0.456 64 I N 1.005 121.577 120.570 0.004 0.000 3.673 64 I HA 0.947 5.118 4.170 0.002 0.000 0.294 64 I C -0.443 175.678 176.117 0.006 0.000 1.163 64 I CA -0.884 60.418 61.300 0.002 0.000 1.138 64 I CB 1.717 39.715 38.000 -0.003 0.000 1.348 64 I HN 0.311 nan 8.210 nan 0.000 0.455 65 A N 1.160 123.984 122.820 0.006 0.000 2.518 65 A HA 0.750 5.071 4.320 0.002 0.000 0.295 65 A C -2.984 174.604 177.584 0.008 0.000 1.052 65 A CA -0.787 51.255 52.037 0.008 0.000 0.824 65 A CB 0.325 19.333 19.000 0.013 0.000 1.325 65 A HN 0.465 nan 8.150 nan 0.000 0.394 66 P HA 0.684 nan 4.420 nan 0.000 0.294 66 P C 0.749 178.053 177.300 0.005 0.000 1.294 66 P CA 0.737 63.840 63.100 0.005 0.000 0.827 66 P CB 1.556 33.257 31.700 0.002 0.000 0.992 67 G N 0.878 109.681 108.800 0.006 0.000 2.213 67 G HA2 -0.179 3.782 3.960 0.002 0.000 0.226 67 G HA3 -0.179 3.782 3.960 0.002 0.000 0.226 67 G C 0.186 175.090 174.900 0.007 0.000 0.992 67 G CA -0.394 44.709 45.100 0.005 0.000 0.632 67 G HN 0.604 nan 8.290 nan 0.000 0.511 68 E N 0.422 120.628 120.200 0.011 0.000 2.418 68 E HA 0.432 4.783 4.350 0.002 0.000 0.261 68 E C 0.698 177.307 176.600 0.015 0.000 1.070 68 E CA 0.579 56.988 56.400 0.015 0.000 0.931 68 E CB 1.023 30.736 29.700 0.022 0.000 0.954 68 E HN 0.766 nan 8.360 nan 0.000 0.439 69 A N 4.122 126.951 122.820 0.015 0.000 3.215 69 A HA 0.071 4.392 4.320 0.002 0.000 0.269 69 A C 1.330 178.926 177.584 0.020 0.000 1.517 69 A CA -0.418 51.628 52.037 0.015 0.000 1.221 69 A CB -0.725 18.281 19.000 0.010 0.000 1.160 69 A HN 0.508 nan 8.150 nan 0.000 0.620 70 I N -1.393 119.195 120.570 0.029 0.000 2.567 70 I HA -0.095 4.076 4.170 0.002 0.000 0.257 70 I C 1.544 177.687 176.117 0.043 0.000 1.184 70 I CA 1.833 63.162 61.300 0.048 0.000 1.451 70 I CB -1.844 36.190 38.000 0.057 0.000 1.089 70 I HN 0.289 nan 8.210 nan 0.000 0.441 71 G N 2.297 111.112 108.800 0.026 0.000 2.433 71 G HA2 -0.154 3.807 3.960 0.002 0.000 0.216 71 G HA3 -0.154 3.807 3.960 0.002 0.000 0.216 71 G C 1.663 176.565 174.900 0.004 0.000 1.186 71 G CA 0.921 46.030 45.100 0.016 0.000 0.779 71 G HN 0.350 nan 8.290 nan 0.000 0.543 72 I N 1.625 122.195 120.570 0.001 0.000 2.202 72 I HA -0.129 4.042 4.170 0.002 0.000 0.242 72 I C 3.152 179.253 176.117 -0.028 0.000 1.091 72 I CA 1.412 62.707 61.300 -0.009 0.000 1.368 72 I CB -1.118 36.881 38.000 -0.003 0.000 1.058 72 I HN 0.223 nan 8.210 nan 0.000 0.410 73 V N -0.233 119.666 119.914 -0.025 0.000 2.759 73 V HA -0.048 4.073 4.120 0.002 0.000 0.256 73 V C 2.535 178.526 176.094 -0.171 0.000 1.080 73 V CA 1.401 63.663 62.300 -0.064 0.000 1.101 73 V CB -1.142 30.672 31.823 -0.016 0.000 0.698 73 V HN 0.263 nan 8.190 nan 0.000 0.477 74 A N 0.827 123.587 122.820 -0.100 0.000 1.855 74 A HA 0.243 4.564 4.320 0.002 0.000 0.213 74 A C 2.543 180.052 177.584 -0.125 0.000 1.195 74 A CA 1.930 53.885 52.037 -0.138 0.000 0.610 74 A CB -1.162 17.873 19.000 0.058 0.000 0.837 74 A HN 0.922 nan 8.150 nan 0.000 0.444 75 A N -0.480 122.303 122.820 -0.061 0.000 1.873 75 A HA -0.288 4.033 4.320 0.002 0.000 0.218 75 A C 2.149 179.697 177.584 -0.061 0.000 1.193 75 A CA 1.991 54.002 52.037 -0.043 0.000 0.629 75 A CB -0.793 18.193 19.000 -0.023 0.000 0.826 75 A HN 0.650 nan 8.150 nan 0.000 0.447 76 Q N -0.126 119.629 119.800 -0.074 0.000 2.014 76 Q HA -0.194 4.147 4.340 0.002 0.000 0.207 76 Q C 2.512 178.450 176.000 -0.103 0.000 0.993 76 Q CA 2.417 58.176 55.803 -0.073 0.000 0.850 76 Q CB -0.349 28.347 28.738 -0.069 0.000 0.916 76 Q HN 0.870 nan 8.270 nan 0.000 0.417 77 S N -0.278 115.307 115.700 -0.192 0.000 2.440 77 S HA -0.104 4.367 4.470 0.002 0.000 0.238 77 S C 1.870 176.388 174.600 -0.136 0.000 1.010 77 S CA 1.144 59.205 58.200 -0.230 0.000 0.972 77 S CB -0.149 62.718 63.200 -0.554 0.000 0.774 77 S HN 0.224 nan 8.310 nan 0.000 0.501 78 V N 1.219 121.070 119.914 -0.105 0.000 2.992 78 V HA 0.321 4.442 4.120 0.002 0.000 0.250 78 V C 2.171 178.253 176.094 -0.020 0.000 1.090 78 V CA 1.300 63.579 62.300 -0.034 0.000 1.101 78 V CB -0.198 31.619 31.823 -0.009 0.000 0.743 78 V HN 0.596 nan 8.190 nan 0.000 0.468 79 G N -0.935 107.849 108.800 -0.027 0.000 2.683 79 G HA2 -0.120 3.841 3.960 0.002 0.000 0.213 79 G HA3 -0.120 3.841 3.960 0.002 0.000 0.213 79 G C 1.312 176.203 174.900 -0.014 0.000 1.142 79 G CA 0.664 45.755 45.100 -0.013 0.000 0.793 79 G HN 0.585 nan 8.290 nan 0.000 0.534 80 E N 1.329 121.514 120.200 -0.024 0.000 2.038 80 E HA -0.115 4.236 4.350 0.002 0.000 0.195 80 E C -0.184 176.410 176.600 -0.010 0.000 1.000 80 E CA 1.196 57.585 56.400 -0.019 0.000 0.803 80 E CB -0.458 29.224 29.700 -0.029 0.000 0.750 80 E HN 0.303 nan 8.360 nan 0.000 0.448 81 P HA -0.086 nan 4.420 nan 0.000 0.215 81 P C 1.390 178.690 177.300 0.001 0.000 1.153 81 P CA 1.907 65.007 63.100 -0.001 0.000 0.853 81 P CB -0.449 31.253 31.700 0.003 0.000 0.788 82 G N -0.407 108.393 108.800 0.000 0.000 2.581 82 G HA2 -0.326 3.635 3.960 0.002 0.000 0.223 82 G HA3 -0.326 3.635 3.960 0.002 0.000 0.223 82 G C 1.444 176.346 174.900 0.003 0.000 1.094 82 G CA 1.890 46.992 45.100 0.003 0.000 0.736 82 G HN 0.377 nan 8.290 nan 0.000 0.588 83 T N -1.334 113.221 114.554 0.001 0.000 2.732 83 T HA 0.054 4.405 4.350 0.002 0.000 0.261 83 T C 1.490 176.191 174.700 0.002 0.000 1.040 83 T CA 0.900 63.000 62.100 0.001 0.000 1.145 83 T CB -0.148 68.720 68.868 0.000 0.000 0.866 83 T HN 0.388 nan 8.240 nan 0.000 0.427 103 G N -0.414 108.386 108.800 -0.000 0.000 2.600 103 G HA2 0.076 4.037 3.960 0.002 0.000 0.103 103 G HA3 0.076 4.037 3.960 0.002 0.000 0.103 103 G C -0.168 174.733 174.900 0.002 0.000 1.090 103 G CA 0.091 45.192 45.100 0.001 0.000 1.090 103 G HN -0.020 nan 8.290 nan 0.000 0.500 104 L N 1.862 123.087 121.223 0.003 0.000 2.042 104 L HA 0.048 4.389 4.340 0.002 0.000 0.210 104 L C -0.160 176.712 176.870 0.004 0.000 1.076 104 L CA 3.006 57.849 54.840 0.004 0.000 0.749 104 L CB -1.605 40.456 42.059 0.004 0.000 0.893 104 L HN 0.280 nan 8.230 nan 0.000 0.432 105 P HA -0.143 nan 4.420 nan 0.000 0.218 105 P C 1.467 178.767 177.300 0.000 0.000 1.149 105 P CA 1.111 64.212 63.100 0.001 0.000 0.817 105 P CB -0.109 31.591 31.700 -0.000 0.000 0.785 106 R N -0.095 120.405 120.500 -0.000 0.000 2.120 106 R HA -0.044 4.297 4.340 0.002 0.000 0.234 106 R C 2.140 178.440 176.300 0.001 0.000 1.123 106 R CA 1.186 57.285 56.100 -0.001 0.000 0.975 106 R CB -1.552 28.747 30.300 -0.002 0.000 0.866 106 R HN 0.134 nan 8.270 nan 0.000 0.446 107 L N -0.274 120.951 121.223 0.003 0.000 2.093 107 L HA -0.027 4.314 4.340 0.002 0.000 0.208 107 L C 1.946 178.821 176.870 0.007 0.000 1.085 107 L CA 1.186 56.029 54.840 0.006 0.000 0.755 107 L CB -0.102 41.962 42.059 0.007 0.000 0.904 107 L HN 0.244 nan 8.230 nan 0.000 0.435 108 I N -0.711 119.863 120.570 0.007 0.000 2.493 108 I HA -0.255 3.916 4.170 0.002 0.000 0.254 108 I C 2.276 178.396 176.117 0.005 0.000 1.160 108 I CA 0.995 62.301 61.300 0.009 0.000 1.445 108 I CB -0.251 37.755 38.000 0.010 0.000 1.086 108 I HN 0.297 nan 8.210 nan 0.000 0.433 109 E N 0.906 121.106 120.200 -0.000 0.000 2.028 109 E HA -0.220 4.131 4.350 0.002 0.000 0.191 109 E C 2.305 178.902 176.600 -0.004 0.000 0.988 109 E CA 1.288 57.685 56.400 -0.006 0.000 0.799 109 E CB -0.073 29.623 29.700 -0.008 0.000 0.755 109 E HN 0.483 nan 8.360 nan 0.000 0.447 110 I N 0.504 121.074 120.570 -0.001 0.000 2.394 110 I HA -0.172 3.999 4.170 0.002 0.000 0.251 110 I C 2.152 178.273 176.117 0.007 0.000 1.136 110 I CA 0.694 61.995 61.300 0.001 0.000 1.425 110 I CB 0.250 38.251 38.000 0.002 0.000 1.079 110 I HN -0.048 nan 8.210 nan 0.000 0.425 111 V N 0.360 120.280 119.914 0.009 0.000 3.306 111 V HA -0.071 4.050 4.120 0.002 0.000 0.264 111 V C 0.088 176.194 176.094 0.020 0.000 1.149 111 V CA 1.328 63.638 62.300 0.015 0.000 1.143 111 V CB -0.500 31.333 31.823 0.017 0.000 0.767 111 V HN 0.367 nan 8.190 nan 0.000 0.476 112 D N -0.307 120.100 120.400 0.011 0.000 3.008 112 D HA 0.637 5.278 4.640 0.002 0.000 0.312 112 D C 0.959 177.245 176.300 -0.023 0.000 1.361 112 D CA 0.733 54.736 54.000 0.005 0.000 0.858 112 D CB 0.733 41.533 40.800 -0.001 0.000 1.098 112 D HN 0.342 nan 8.370 nan 0.000 0.482 113 A N 0.821 123.639 122.820 -0.003 0.000 4.920 113 A HA -0.397 3.924 4.320 0.002 0.000 0.357 113 A C 0.761 178.325 177.584 -0.032 0.000 1.642 113 A CA 1.728 53.756 52.037 -0.015 0.000 0.716 113 A CB -1.292 17.683 19.000 -0.043 0.000 1.508 113 A HN 0.459 nan 8.150 nan 0.000 0.443 114 K N -1.704 118.656 120.400 -0.066 0.000 7.076 114 K HA -0.133 4.188 4.320 0.002 0.000 0.747 114 K C 0.332 176.911 176.600 -0.035 0.000 2.505 114 K CA 1.498 57.754 56.287 -0.051 0.000 1.814 114 K CB -0.378 32.101 32.500 -0.034 0.000 2.142 114 K HN 0.853 nan 8.250 nan 0.000 0.274 115 K N 1.769 122.149 120.400 -0.034 0.000 2.137 115 K HA 0.046 4.367 4.320 0.002 0.000 0.202 115 K C 0.152 176.741 176.600 -0.018 0.000 1.052 115 K CA 1.272 57.547 56.287 -0.020 0.000 0.961 115 K CB 0.386 32.875 32.500 -0.018 0.000 0.741 115 K HN 0.435 nan 8.250 nan 0.000 0.452 116 V N 1.337 121.239 119.914 -0.021 0.000 2.407 116 V HA 0.497 4.618 4.120 0.002 0.000 0.291 116 V C -2.694 173.388 176.094 -0.019 0.000 1.018 116 V CA -2.345 59.943 62.300 -0.020 0.000 0.842 116 V CB 1.058 32.868 31.823 -0.021 0.000 0.996 116 V HN 0.049 nan 8.190 nan 0.000 0.426 117 P HA 0.476 nan 4.420 nan 0.000 0.287 117 P C -0.262 177.029 177.300 -0.014 0.000 1.296 117 P CA -0.623 62.468 63.100 -0.015 0.000 0.811 117 P CB 1.055 32.746 31.700 -0.014 0.000 1.211 118 S N -0.251 115.442 115.700 -0.012 0.000 2.481 118 S HA 0.267 4.738 4.470 0.002 0.000 0.276 118 S C -0.322 174.272 174.600 -0.010 0.000 1.247 118 S CA 0.198 58.392 58.200 -0.010 0.000 1.053 118 S CB -1.128 62.067 63.200 -0.008 0.000 0.925 118 S HN 0.598 nan 8.310 nan 0.000 0.491 119 T N 3.080 117.628 114.554 -0.010 0.000 3.102 119 T HA -0.085 4.266 4.350 0.002 0.000 0.447 119 T C -2.852 171.841 174.700 -0.012 0.000 0.772 119 T CA -0.512 61.582 62.100 -0.010 0.000 2.328 119 T CB -1.658 67.205 68.868 -0.008 0.000 1.672 119 T HN 0.422 nan 8.240 nan 0.000 0.625 120 P HA 0.500 nan 4.420 nan 0.000 0.280 120 P C 0.026 177.316 177.300 -0.016 0.000 1.386 120 P CA -0.343 62.747 63.100 -0.016 0.000 0.899 120 P CB 0.512 32.200 31.700 -0.019 0.000 1.098 121 M N 3.372 122.963 119.600 -0.015 0.000 2.423 121 M HA 0.533 5.014 4.480 0.002 0.000 0.335 121 M C 0.216 176.507 176.300 -0.016 0.000 1.177 121 M CA -0.210 55.081 55.300 -0.015 0.000 1.038 121 M CB 1.585 34.177 32.600 -0.014 0.000 1.641 121 M HN 0.123 nan 8.290 nan 0.000 0.455 122 M N 2.186 121.777 119.600 -0.015 0.000 2.106 122 M HA 0.273 4.754 4.480 0.002 0.000 0.288 122 M C -0.669 175.619 176.300 -0.020 0.000 0.941 122 M CA -0.684 54.608 55.300 -0.013 0.000 0.934 122 M CB 2.091 34.688 32.600 -0.006 0.000 1.551 122 M HN 0.699 nan 8.290 nan 0.000 0.437 123 T N 1.875 116.415 114.554 -0.024 0.000 2.762 123 T HA 0.526 4.877 4.350 0.002 0.000 0.303 123 T C -0.158 174.499 174.700 -0.072 0.000 0.977 123 T CA -0.726 61.337 62.100 -0.061 0.000 0.961 123 T CB 0.168 68.999 68.868 -0.062 0.000 0.944 123 T HN 0.410 nan 8.240 nan 0.000 0.481 124 I N 3.854 124.365 120.570 -0.097 0.000 2.365 124 I HA 0.311 4.482 4.170 0.002 0.000 0.291 124 I C -0.081 175.943 176.117 -0.157 0.000 1.004 124 I CA -1.091 60.180 61.300 -0.048 0.000 1.311 124 I CB 0.347 38.344 38.000 -0.005 0.000 1.401 124 I HN 0.638 nan 8.210 nan 0.000 0.491 125 Y N 5.381 125.703 120.300 0.036 0.000 2.376 125 Y HA 0.394 4.946 4.550 0.002 0.000 0.325 125 Y C 0.320 176.255 175.900 0.058 0.000 1.199 125 Y CA -0.417 57.708 58.100 0.041 0.000 1.206 125 Y CB 1.411 39.892 38.460 0.036 0.000 1.229 125 Y HN 0.335 nan 8.280 nan 0.000 0.480 126 L N 3.969 125.322 121.223 0.218 0.000 2.504 126 L HA 0.234 4.575 4.340 0.002 0.000 0.249 126 L C 0.323 177.306 176.870 0.188 0.000 1.120 126 L CA -0.375 54.568 54.840 0.171 0.000 0.997 126 L CB -0.536 41.609 42.059 0.144 0.000 1.349 126 L HN 1.090 nan 8.230 nan 0.000 0.439 127 T N -1.398 113.262 114.554 0.177 0.000 1.267 127 T HA -0.334 4.017 4.350 0.002 0.000 0.760 127 T C 0.619 175.395 174.700 0.128 0.000 0.998 127 T CA 1.446 63.640 62.100 0.157 0.000 3.981 127 T CB -0.386 68.605 68.868 0.206 0.000 2.261 127 T HN 0.510 nan 8.240 nan 0.000 0.400 128 D N 0.659 121.117 120.400 0.097 0.000 2.455 128 D HA 0.368 5.009 4.640 0.002 0.000 0.228 128 D C 0.927 177.226 176.300 -0.002 0.000 1.070 128 D CA 0.366 54.395 54.000 0.048 0.000 0.881 128 D CB 0.274 41.088 40.800 0.023 0.000 1.087 128 D HN 0.641 nan 8.370 nan 0.000 0.498 129 E N -1.013 119.149 120.200 -0.064 0.000 2.259 129 E HA 0.297 4.648 4.350 0.002 0.000 0.257 129 E C -0.486 175.975 176.600 -0.231 0.000 0.998 129 E CA -0.619 55.567 56.400 -0.356 0.000 0.866 129 E CB 0.683 29.888 29.700 -0.824 0.000 1.220 129 E HN -0.033 nan 8.360 nan 0.000 0.415 130 Y N -1.276 119.073 120.300 0.082 0.000 4.899 130 Y HA -0.348 4.203 4.550 0.001 0.000 0.241 130 Y C 1.347 177.311 175.900 0.106 0.000 0.976 130 Y CA 1.201 59.350 58.100 0.081 0.000 1.952 130 Y CB -1.454 37.042 38.460 0.059 0.000 1.496 130 Y HN 0.499 nan 8.280 nan 0.000 0.545 131 K N -0.530 119.982 120.400 0.187 0.000 2.186 131 K HA -0.057 4.264 4.320 0.002 0.000 0.202 131 K C 1.614 178.355 176.600 0.235 0.000 1.052 131 K CA 0.692 57.093 56.287 0.189 0.000 0.965 131 K CB 0.065 32.654 32.500 0.148 0.000 0.746 131 K HN 0.433 nan 8.250 nan 0.000 0.457 132 H N 0.675 119.851 119.070 0.176 0.000 2.681 132 H HA 0.028 4.585 4.556 0.002 0.000 0.206 132 H C -0.134 175.374 175.328 0.300 0.000 1.531 132 H CA 1.099 57.310 56.048 0.271 0.000 1.575 132 H CB 0.259 30.104 29.762 0.138 0.000 1.559 132 H HN 0.176 nan 8.280 nan 0.000 0.804 133 D N -1.255 119.480 120.400 0.558 0.000 10.448 133 D HA -0.177 4.464 4.640 0.002 0.000 0.360 133 D C 0.255 176.536 176.300 -0.031 0.000 3.024 133 D CA 1.433 55.578 54.000 0.243 0.000 2.424 133 D CB 0.076 40.963 40.800 0.146 0.000 1.149 133 D HN 0.571 nan 8.370 nan 0.000 1.024 134 K N -0.162 120.149 120.400 -0.149 0.000 2.362 134 K HA 0.174 4.495 4.320 0.002 0.000 0.203 134 K C 1.659 178.128 176.600 -0.219 0.000 1.198 134 K CA 0.127 56.190 56.287 -0.374 0.000 0.908 134 K CB 0.065 32.419 32.500 -0.244 0.000 1.236 134 K HN 0.363 nan 8.250 nan 0.000 0.487 135 E N 1.476 121.616 120.200 -0.101 0.000 2.150 135 E HA -0.090 4.261 4.350 0.002 0.000 0.193 135 E C 1.613 178.188 176.600 -0.041 0.000 0.985 135 E CA 0.854 57.219 56.400 -0.059 0.000 0.814 135 E CB 0.232 29.916 29.700 -0.026 0.000 0.752 135 E HN 0.104 nan 8.360 nan 0.000 0.466 136 K N 0.368 120.758 120.400 -0.017 0.000 2.148 136 K HA -0.048 4.273 4.320 0.002 0.000 0.204 136 K C 2.084 178.688 176.600 0.006 0.000 1.050 136 K CA 0.962 57.262 56.287 0.023 0.000 0.942 136 K CB -0.136 32.420 32.500 0.093 0.000 0.724 136 K HN 0.061 nan 8.250 nan 0.000 0.446 137 A N 1.340 124.136 122.820 -0.040 0.000 1.930 137 A HA -0.055 4.266 4.320 0.002 0.000 0.217 137 A C 2.155 179.715 177.584 -0.040 0.000 1.175 137 A CA 1.006 53.021 52.037 -0.037 0.000 0.627 137 A CB -0.440 18.497 19.000 -0.106 0.000 0.815 137 A HN 0.170 nan 8.150 nan 0.000 0.443 138 L N -1.056 120.129 121.223 -0.062 0.000 2.418 138 L HA 0.003 4.344 4.340 0.002 0.000 0.218 138 L C 2.145 178.999 176.870 -0.026 0.000 1.125 138 L CA 0.567 55.379 54.840 -0.046 0.000 0.835 138 L CB -0.254 41.769 42.059 -0.061 0.000 0.953 138 L HN 0.411 nan 8.230 nan 0.000 0.454 139 E N -0.314 119.874 120.200 -0.020 0.000 2.216 139 E HA -0.097 4.254 4.350 0.002 0.000 0.192 139 E C 2.157 178.752 176.600 -0.008 0.000 0.988 139 E CA 0.611 57.003 56.400 -0.014 0.000 0.834 139 E CB 0.275 29.967 29.700 -0.013 0.000 0.772 139 E HN 0.268 nan 8.360 nan 0.000 0.479 140 V N 1.005 120.917 119.914 -0.003 0.000 2.488 140 V HA -0.131 3.990 4.120 0.002 0.000 0.246 140 V C 2.288 178.386 176.094 0.006 0.000 1.046 140 V CA 1.539 63.841 62.300 0.004 0.000 1.053 140 V CB -0.463 31.368 31.823 0.013 0.000 0.679 140 V HN 0.264 nan 8.190 nan 0.000 0.458 141 A N 1.679 124.499 122.820 0.001 0.000 1.972 141 A HA -0.235 4.086 4.320 0.002 0.000 0.219 141 A C 2.361 179.948 177.584 0.005 0.000 1.169 141 A CA 2.006 54.045 52.037 0.003 0.000 0.635 141 A CB -0.494 18.502 19.000 -0.006 0.000 0.810 141 A HN 0.710 nan 8.150 nan 0.000 0.446 142 R N -1.517 118.982 120.500 -0.001 0.000 2.153 142 R HA 0.068 4.409 4.340 0.002 0.000 0.218 142 R C 1.440 177.742 176.300 0.002 0.000 1.072 142 R CA 1.152 57.251 56.100 -0.002 0.000 0.990 142 R CB -0.164 30.130 30.300 -0.010 0.000 0.889 142 R HN 0.110 nan 8.270 nan 0.000 0.452 143 K N 0.863 121.267 120.400 0.006 0.000 2.400 143 K HA 0.148 4.469 4.320 0.002 0.000 0.194 143 K C 1.822 178.441 176.600 0.031 0.000 1.033 143 K CA 0.422 56.716 56.287 0.011 0.000 1.021 143 K CB 0.253 32.757 32.500 0.007 0.000 0.808 143 K HN 0.287 nan 8.250 nan 0.000 0.505 144 L N 0.025 121.270 121.223 0.035 0.000 2.221 144 L HA 0.009 4.350 4.340 0.002 0.000 0.202 144 L C 1.938 178.858 176.870 0.082 0.000 1.074 144 L CA 0.529 55.401 54.840 0.053 0.000 0.795 144 L CB -0.241 41.841 42.059 0.037 0.000 0.960 144 L HN 0.086 nan 8.230 nan 0.000 0.458 145 E N 0.036 120.275 120.200 0.066 0.000 2.208 145 E HA -0.316 4.035 4.350 0.002 0.000 0.202 145 E C -0.253 176.451 176.600 0.172 0.000 1.014 145 E CA 1.309 57.759 56.400 0.083 0.000 0.819 145 E CB -0.145 29.583 29.700 0.046 0.000 0.735 145 E HN 0.336 nan 8.360 nan 0.000 0.469 146 Y N 0.525 120.825 120.300 -0.000 0.000 2.861 146 Y HA -0.258 4.292 4.550 0.001 0.000 0.091 146 Y C -1.090 174.811 175.900 0.001 0.000 1.957 146 Y CA 0.500 58.600 58.100 0.001 0.000 1.092 146 Y CB -1.362 37.099 38.460 0.002 0.000 1.742 146 Y HN -0.185 nan 8.280 nan 0.000 0.314 147 T N 6.930 121.339 114.554 -0.240 0.000 2.727 147 T HA 0.345 4.696 4.350 0.002 0.000 0.298 147 T C 0.287 174.812 174.700 -0.292 0.000 0.942 147 T CA -0.757 61.237 62.100 -0.178 0.000 0.997 147 T CB 0.817 69.622 68.868 -0.104 0.000 0.917 147 T HN 0.373 nan 8.240 nan 0.000 0.487 148 K N 1.993 122.288 120.400 -0.176 0.000 2.102 148 K HA 0.324 4.645 4.320 0.002 0.000 0.244 148 K C 1.038 177.592 176.600 -0.078 0.000 1.021 148 K CA -0.787 55.418 56.287 -0.136 0.000 0.913 148 K CB 0.696 33.197 32.500 0.001 0.000 1.062 148 K HN 0.305 nan 8.250 nan 0.000 0.485 149 I N 1.720 122.257 120.570 -0.054 0.000 2.614 149 I HA -0.172 3.999 4.170 0.002 0.000 0.258 149 I C 1.753 177.862 176.117 -0.014 0.000 1.189 149 I CA 1.404 62.685 61.300 -0.032 0.000 1.462 149 I CB -0.211 37.776 38.000 -0.021 0.000 1.092 149 I HN 0.623 nan 8.210 nan 0.000 0.442 150 E N 0.091 120.290 120.200 -0.001 0.000 2.204 150 E HA -0.197 4.154 4.350 0.002 0.000 0.194 150 E C 1.418 178.022 176.600 0.007 0.000 0.989 150 E CA 0.973 57.379 56.400 0.009 0.000 0.824 150 E CB -0.112 29.602 29.700 0.024 0.000 0.756 150 E HN 0.513 nan 8.360 nan 0.000 0.477 151 N N -0.342 118.359 118.700 0.002 0.000 2.463 151 N HA -0.066 4.675 4.740 0.002 0.000 0.181 151 N C 1.328 176.834 175.510 -0.006 0.000 1.078 151 N CA 0.257 53.309 53.050 0.002 0.000 0.902 151 N CB 0.505 38.995 38.487 0.005 0.000 0.970 151 N HN -0.018 nan 8.380 nan 0.000 0.451 152 V N -0.748 119.158 119.914 -0.013 0.000 3.263 152 V HA 0.253 4.374 4.120 0.002 0.000 0.248 152 V C 0.402 176.490 176.094 -0.010 0.000 1.145 152 V CA 0.119 62.410 62.300 -0.015 0.000 1.107 152 V CB 0.409 32.218 31.823 -0.023 0.000 0.797 152 V HN 0.006 nan 8.190 nan 0.000 0.467 153 V N 0.987 120.896 119.914 -0.008 0.000 2.567 153 V HA 0.442 4.563 4.120 0.002 0.000 0.289 153 V C 1.324 177.417 176.094 -0.002 0.000 1.049 153 V CA 0.909 63.205 62.300 -0.006 0.000 0.969 153 V CB 1.948 33.766 31.823 -0.008 0.000 0.995 153 V HN 0.586 nan 8.190 nan 0.000 0.471 154 S N 3.159 118.858 115.700 -0.002 0.000 2.527 154 S HA 0.231 4.702 4.470 0.002 0.000 0.227 154 S C 0.510 175.111 174.600 0.002 0.000 1.059 154 S CA 0.346 58.547 58.200 0.001 0.000 0.919 154 S CB 0.159 63.359 63.200 0.000 0.000 0.805 154 S HN 1.198 nan 8.310 nan 0.000 0.500 155 S N 0.394 116.093 115.700 -0.001 0.000 2.540 155 S HA 0.755 5.226 4.470 0.002 0.000 0.275 155 S C -1.082 173.513 174.600 -0.008 0.000 1.123 155 S CA -0.599 57.600 58.200 -0.001 0.000 0.907 155 S CB 1.960 65.159 63.200 -0.000 0.000 1.081 155 S HN 0.147 nan 8.310 nan 0.000 0.476 156 T N 1.987 116.536 114.554 -0.009 0.000 2.916 156 T HA 0.806 5.157 4.350 0.002 0.000 0.298 156 T C -0.794 173.889 174.700 -0.029 0.000 1.031 156 T CA -0.730 61.356 62.100 -0.024 0.000 0.993 156 T CB 1.656 70.507 68.868 -0.028 0.000 1.045 156 T HN 1.067 nan 8.240 nan 0.000 0.454 157 S N 1.886 117.557 115.700 -0.048 0.000 2.569 157 S HA 0.825 5.296 4.470 0.002 0.000 0.280 157 S C -1.011 173.530 174.600 -0.099 0.000 1.111 157 S CA -0.958 57.209 58.200 -0.054 0.000 0.887 157 S CB 1.115 64.297 63.200 -0.029 0.000 1.095 157 S HN 0.621 nan 8.310 nan 0.000 0.476 158 I N 1.478 121.976 120.570 -0.120 0.000 2.404 158 I HA 0.397 4.568 4.170 0.002 0.000 0.293 158 I C -1.133 174.928 176.117 -0.093 0.000 0.992 158 I CA -0.575 60.626 61.300 -0.166 0.000 1.149 158 I CB 1.687 39.502 38.000 -0.308 0.000 1.315 158 I HN 0.579 nan 8.210 nan 0.000 0.446 159 D N 6.641 126.991 120.400 -0.084 0.000 2.460 159 D HA 0.338 4.979 4.640 0.002 0.000 0.268 159 D C 1.184 177.462 176.300 -0.036 0.000 1.153 159 D CA -0.280 53.694 54.000 -0.042 0.000 0.929 159 D CB 0.963 41.748 40.800 -0.026 0.000 1.015 159 D HN 0.357 nan 8.370 nan 0.000 0.502 160 I N 1.232 121.784 120.570 -0.031 0.000 2.143 160 I HA -0.387 3.784 4.170 0.002 0.000 0.245 160 I C 2.529 178.666 176.117 0.033 0.000 1.068 160 I CA 1.427 62.715 61.300 -0.020 0.000 1.326 160 I CB -0.341 37.661 38.000 0.003 0.000 1.028 160 I HN 0.324 nan 8.210 nan 0.000 0.412 161 A N 0.444 123.291 122.820 0.045 0.000 1.899 161 A HA -0.345 3.976 4.320 0.002 0.000 0.230 161 A C 1.240 178.915 177.584 0.152 0.000 1.593 161 A CA 3.093 55.174 52.037 0.073 0.000 0.728 161 A CB -0.916 18.111 19.000 0.045 0.000 0.848 161 A HN 0.791 nan 8.150 nan 0.000 0.490 162 S N -5.372 110.435 115.700 0.179 0.000 2.514 162 S HA 0.536 5.007 4.470 0.002 0.000 0.183 162 S C -0.261 174.483 174.600 0.239 0.000 0.656 162 S CA -0.041 58.374 58.200 0.358 0.000 0.872 162 S CB -0.018 63.283 63.200 0.169 0.000 1.436 162 S HN 0.356 nan 8.310 nan 0.000 0.427 163 M N 1.168 120.872 119.600 0.173 0.000 1.921 163 M HA 0.366 4.847 4.480 0.002 0.000 0.174 163 M C -0.058 176.212 176.300 -0.050 0.000 1.839 163 M CA 0.411 55.751 55.300 0.067 0.000 0.912 163 M CB -0.530 32.069 32.600 -0.001 0.000 1.551 163 M HN 0.567 nan 8.290 nan 0.000 0.619 164 S N 0.374 115.966 115.700 -0.180 0.000 2.901 164 S HA 0.571 5.042 4.470 0.002 0.000 0.248 164 S C -0.176 174.320 174.600 -0.173 0.000 1.021 164 S CA -0.267 57.837 58.200 -0.161 0.000 1.090 164 S CB 1.022 64.087 63.200 -0.224 0.000 1.039 164 S HN 0.287 nan 8.310 nan 0.000 0.514 165 I N 1.900 122.374 120.570 -0.159 0.000 2.499 165 I HA 0.499 4.670 4.170 0.002 0.000 0.288 165 I C -1.216 174.835 176.117 -0.110 0.000 1.048 165 I CA -0.717 60.488 61.300 -0.158 0.000 1.062 165 I CB 2.067 39.956 38.000 -0.186 0.000 1.238 165 I HN 0.148 nan 8.210 nan 0.000 0.426 166 I N 7.140 127.654 120.570 -0.094 0.000 2.389 166 I HA 0.374 4.545 4.170 0.002 0.000 0.288 166 I C -1.117 174.968 176.117 -0.053 0.000 0.999 166 I CA -0.654 60.609 61.300 -0.062 0.000 1.129 166 I CB 1.617 39.589 38.000 -0.048 0.000 1.288 166 I HN 0.238 nan 8.210 nan 0.000 0.444 167 L N 6.648 127.847 121.223 -0.040 0.000 2.329 167 L HA 0.470 4.811 4.340 0.002 0.000 0.279 167 L C -0.290 176.569 176.870 -0.020 0.000 1.014 167 L CA -0.308 54.514 54.840 -0.029 0.000 0.814 167 L CB 1.442 43.486 42.059 -0.025 0.000 1.257 167 L HN 0.485 nan 8.230 nan 0.000 0.424 168 Q N 2.767 122.558 119.800 -0.015 0.000 2.413 168 Q HA 0.282 4.623 4.340 0.002 0.000 0.258 168 Q C 0.419 176.414 176.000 -0.009 0.000 1.037 168 Q CA -0.593 55.203 55.803 -0.011 0.000 0.764 168 Q CB 1.734 30.467 28.738 -0.009 0.000 1.217 168 Q HN 0.523 nan 8.270 nan 0.000 0.490 169 L N 1.266 122.484 121.223 -0.008 0.000 2.187 169 L HA -0.138 4.203 4.340 0.002 0.000 0.213 169 L C 0.085 176.951 176.870 -0.006 0.000 1.100 169 L CA 1.334 56.169 54.840 -0.008 0.000 0.765 169 L CB -0.404 41.651 42.059 -0.008 0.000 0.904 169 L HN 0.750 nan 8.230 nan 0.000 0.437 170 D N -1.197 119.200 120.400 -0.005 0.000 6.013 170 D HA -0.211 4.430 4.640 0.002 0.000 0.242 170 D C 1.180 177.477 176.300 -0.004 0.000 1.609 170 D CA 0.649 54.646 54.000 -0.004 0.000 1.473 170 D CB 0.082 40.880 40.800 -0.003 0.000 0.711 170 D HN 0.380 nan 8.370 nan 0.000 0.388 171 N N 3.928 122.626 118.700 -0.004 0.000 2.090 171 N HA -0.327 4.414 4.740 0.002 0.000 0.196 171 N C 1.216 176.724 175.510 -0.005 0.000 1.017 171 N CA 2.281 55.329 53.050 -0.004 0.000 0.890 171 N CB -0.513 37.972 38.487 -0.003 0.000 1.080 171 N HN 0.764 nan 8.380 nan 0.000 0.576 172 E N -0.645 119.553 120.200 -0.004 0.000 2.510 172 E HA -0.091 4.260 4.350 0.002 0.000 0.202 172 E C 1.392 177.989 176.600 -0.004 0.000 1.072 172 E CA 0.340 56.738 56.400 -0.004 0.000 0.883 172 E CB -0.191 29.508 29.700 -0.002 0.000 0.818 172 E HN 0.355 nan 8.360 nan 0.000 0.548 173 M N -0.276 119.321 119.600 -0.005 0.000 2.506 173 M HA -0.031 4.450 4.480 0.002 0.000 0.260 173 M C 0.833 177.128 176.300 -0.009 0.000 1.104 173 M CA 0.959 56.255 55.300 -0.005 0.000 1.112 173 M CB 0.501 33.098 32.600 -0.005 0.000 1.401 173 M HN 0.025 nan 8.290 nan 0.000 0.473 174 L N -2.739 118.479 121.223 -0.010 0.000 2.817 174 L HA 0.340 4.681 4.340 0.002 0.000 0.248 174 L C 1.594 178.457 176.870 -0.012 0.000 1.133 174 L CA 0.259 55.091 54.840 -0.012 0.000 0.935 174 L CB -1.237 40.814 42.059 -0.013 0.000 1.266 174 L HN 0.032 nan 8.230 nan 0.000 0.535 175 K N 0.490 120.884 120.400 -0.009 0.000 1.991 175 K HA -0.047 4.274 4.320 0.002 0.000 0.208 175 K C 0.340 176.934 176.600 -0.009 0.000 1.038 175 K CA 0.755 57.037 56.287 -0.009 0.000 0.943 175 K CB 0.032 32.528 32.500 -0.007 0.000 0.736 175 K HN 0.172 nan 8.250 nan 0.000 0.440 176 D N 1.276 121.672 120.400 -0.008 0.000 2.363 176 D HA -0.022 4.619 4.640 0.002 0.000 0.263 176 D C -0.402 175.892 176.300 -0.009 0.000 1.258 176 D CA 0.924 54.919 54.000 -0.007 0.000 0.907 176 D CB 0.357 41.154 40.800 -0.005 0.000 1.107 176 D HN 0.325 nan 8.370 nan 0.000 0.495 177 K N 1.454 121.848 120.400 -0.010 0.000 3.320 177 K HA -0.100 4.221 4.320 0.002 0.000 0.236 177 K C 0.953 177.544 176.600 -0.015 0.000 1.254 177 K CA 0.373 56.653 56.287 -0.012 0.000 0.883 177 K CB -1.485 31.008 32.500 -0.012 0.000 1.714 177 K HN 0.555 nan 8.250 nan 0.000 0.571 178 G N 0.668 109.459 108.800 -0.015 0.000 2.225 178 G HA2 -0.292 3.669 3.960 0.002 0.000 0.254 178 G HA3 -0.292 3.669 3.960 0.002 0.000 0.254 178 G C 0.098 174.987 174.900 -0.018 0.000 0.988 178 G CA 0.161 45.252 45.100 -0.016 0.000 0.625 178 G HN 0.517 nan 8.290 nan 0.000 0.527 179 V N 2.731 122.633 119.914 -0.020 0.000 2.485 179 V HA 0.503 4.624 4.120 0.002 0.000 0.287 179 V C 1.006 177.090 176.094 -0.017 0.000 1.022 179 V CA 1.338 63.625 62.300 -0.022 0.000 1.067 179 V CB 0.830 32.637 31.823 -0.027 0.000 0.967 179 V HN 0.478 nan 8.190 nan 0.000 0.479 180 T N 5.222 119.766 114.554 -0.016 0.000 3.419 180 T HA 0.211 4.562 4.350 0.002 0.000 0.228 180 T C 0.396 175.089 174.700 -0.012 0.000 0.939 180 T CA 0.130 62.222 62.100 -0.013 0.000 0.992 180 T CB -0.568 68.293 68.868 -0.011 0.000 1.186 180 T HN 1.050 nan 8.240 nan 0.000 0.612 181 V N 1.210 121.116 119.914 -0.012 0.000 5.820 181 V HA -0.195 3.926 4.120 0.002 0.000 0.300 181 V C 0.752 176.839 176.094 -0.011 0.000 0.585 181 V CA 0.776 63.069 62.300 -0.011 0.000 0.629 181 V CB -1.764 30.055 31.823 -0.007 0.000 0.291 181 V HN 0.710 nan 8.190 nan 0.000 0.887 182 D N -0.056 120.335 120.400 -0.016 0.000 2.336 182 D HA -0.004 4.637 4.640 0.002 0.000 0.229 182 D C 1.555 177.845 176.300 -0.017 0.000 1.061 182 D CA 0.461 54.451 54.000 -0.017 0.000 0.875 182 D CB 0.217 41.004 40.800 -0.022 0.000 0.904 182 D HN 0.631 nan 8.370 nan 0.000 0.525 183 D N 0.677 121.069 120.400 -0.014 0.000 2.158 183 D HA -0.135 4.506 4.640 0.002 0.000 0.197 183 D C 2.061 178.362 176.300 0.001 0.000 0.995 183 D CA 0.613 54.607 54.000 -0.009 0.000 0.846 183 D CB 0.205 41.001 40.800 -0.006 0.000 0.941 183 D HN 0.107 nan 8.370 nan 0.000 0.456 184 V N 1.077 120.992 119.914 0.002 0.000 2.626 184 V HA -0.218 3.903 4.120 0.002 0.000 0.252 184 V C 2.097 178.193 176.094 0.002 0.000 1.067 184 V CA 1.624 63.930 62.300 0.010 0.000 1.081 184 V CB -0.192 31.636 31.823 0.008 0.000 0.686 184 V HN 0.099 nan 8.190 nan 0.000 0.468 185 K N -0.587 119.809 120.400 -0.008 0.000 2.062 185 K HA -0.077 4.244 4.320 0.002 0.000 0.205 185 K C 2.100 178.686 176.600 -0.022 0.000 1.051 185 K CA 0.967 57.244 56.287 -0.016 0.000 0.941 185 K CB -0.157 32.332 32.500 -0.019 0.000 0.719 185 K HN 0.225 nan 8.250 nan 0.000 0.440 186 K N 0.719 121.107 120.400 -0.020 0.000 2.362 186 K HA 0.001 4.322 4.320 0.002 0.000 0.200 186 K C 1.814 178.401 176.600 -0.021 0.000 1.046 186 K CA 0.724 56.996 56.287 -0.024 0.000 0.952 186 K CB -0.230 32.257 32.500 -0.021 0.000 0.753 186 K HN 0.145 nan 8.250 nan 0.000 0.466 187 A N 1.213 124.033 122.820 -0.001 0.000 1.845 187 A HA -0.153 4.168 4.320 0.002 0.000 0.215 187 A C 2.179 179.707 177.584 -0.094 0.000 1.195 187 A CA 1.482 53.530 52.037 0.018 0.000 0.616 187 A CB -0.519 18.525 19.000 0.073 0.000 0.832 187 A HN 0.169 nan 8.150 nan 0.000 0.443 188 I N 0.211 120.735 120.570 -0.076 0.000 2.233 188 I HA -0.204 3.967 4.170 0.002 0.000 0.243 188 I C 2.242 178.288 176.117 -0.117 0.000 1.093 188 I CA 1.282 62.515 61.300 -0.111 0.000 1.380 188 I CB -0.663 37.300 38.000 -0.062 0.000 1.067 188 I HN 0.395 nan 8.210 nan 0.000 0.413 189 N N 0.785 119.437 118.700 -0.079 0.000 2.314 189 N HA -0.209 4.532 4.740 0.002 0.000 0.191 189 N C 1.711 177.172 175.510 -0.083 0.000 1.007 189 N CA 1.122 54.131 53.050 -0.068 0.000 0.883 189 N CB 0.194 38.653 38.487 -0.047 0.000 0.969 189 N HN 0.246 nan 8.380 nan 0.000 0.441 190 R N -0.026 120.404 120.500 -0.117 0.000 1.222 190 R HA 0.291 4.632 4.340 0.002 0.000 0.089 190 R C 1.813 178.001 176.300 -0.187 0.000 1.314 190 R CA -0.215 55.810 56.100 -0.125 0.000 2.025 190 R CB -0.808 29.432 30.300 -0.100 0.000 0.991 190 R HN 0.011 nan 8.270 nan 0.000 0.686 191 L N 0.445 121.496 121.223 -0.287 0.000 2.606 191 L HA 0.202 4.543 4.340 0.002 0.000 0.147 191 L C 0.301 176.884 176.870 -0.479 0.000 1.620 191 L CA 0.071 54.728 54.840 -0.305 0.000 3.110 191 L CB -0.072 41.858 42.059 -0.216 0.000 3.027 191 L HN 0.540 nan 8.230 nan 0.000 0.899 192 K N -1.240 118.800 120.400 -0.600 0.000 3.144 192 K HA 0.087 4.408 4.320 0.002 0.000 0.101 192 K C -0.844 175.711 176.600 -0.075 0.000 1.261 192 K CA -0.235 55.718 56.287 -0.556 0.000 0.753 192 K CB -1.737 30.602 32.500 -0.270 0.000 1.702 192 K HN 0.172 nan 8.250 nan 0.000 0.418 193 L N 2.543 123.820 121.223 0.091 0.000 3.825 193 L HA -0.085 4.256 4.340 0.002 0.000 0.314 193 L C 1.482 178.492 176.870 0.233 0.000 1.349 193 L CA 1.560 56.540 54.840 0.233 0.000 1.174 193 L CB -1.005 41.252 42.059 0.329 0.000 1.523 193 L HN 0.766 nan 8.230 nan 0.000 0.401 194 G N 0.488 109.373 108.800 0.141 0.000 2.291 194 G HA2 -0.302 3.659 3.960 0.002 0.000 0.287 194 G HA3 -0.302 3.659 3.960 0.002 0.000 0.287 194 G C 0.728 175.710 174.900 0.137 0.000 0.998 194 G CA 1.146 46.314 45.100 0.113 0.000 0.728 194 G HN 0.615 nan 8.290 nan 0.000 0.519 195 E N -2.048 118.289 120.200 0.228 0.000 4.452 195 E HA 0.495 4.846 4.350 0.002 0.000 0.189 195 E C 0.424 177.189 176.600 0.276 0.000 1.163 195 E CA -0.578 55.921 56.400 0.165 0.000 0.841 195 E CB -0.116 29.593 29.700 0.016 0.000 2.367 195 E HN 0.458 nan 8.360 nan 0.000 0.483 196 F N 0.488 120.439 119.950 0.002 0.000 2.267 196 F HA -0.154 4.374 4.527 0.002 0.000 0.352 196 F C -0.679 175.124 175.800 0.006 0.000 1.111 196 F CA -0.095 57.904 58.000 -0.002 0.000 1.207 196 F CB -1.041 37.955 39.000 -0.006 0.000 1.743 196 F HN -0.044 nan 8.300 nan 0.000 0.776 197 V N 5.111 125.075 119.914 0.084 0.000 2.483 197 V HA 0.474 4.595 4.120 0.002 0.000 0.297 197 V C 0.217 176.338 176.094 0.045 0.000 1.027 197 V CA -0.941 61.403 62.300 0.072 0.000 0.855 197 V CB 2.112 33.967 31.823 0.053 0.000 0.995 197 V HN 0.298 nan 8.190 nan 0.000 0.424 198 I N 3.836 124.439 120.570 0.055 0.000 2.371 198 I HA 0.352 4.522 4.170 0.002 0.000 0.290 198 I C -0.228 175.902 176.117 0.022 0.000 1.028 198 I CA 0.016 61.339 61.300 0.038 0.000 1.345 198 I CB 1.179 39.207 38.000 0.046 0.000 1.407 198 I HN 0.590 nan 8.210 nan 0.000 0.501 199 D N 6.497 126.904 120.400 0.011 0.000 2.458 199 D HA 0.204 4.845 4.640 0.002 0.000 0.258 199 D C 0.051 176.353 176.300 0.003 0.000 1.134 199 D CA -0.240 53.764 54.000 0.007 0.000 0.915 199 D CB 0.719 41.522 40.800 0.004 0.000 1.028 199 D HN 0.427 nan 8.370 nan 0.000 0.508 200 E N 1.062 121.265 120.200 0.005 0.000 2.104 200 E HA 0.143 4.494 4.350 0.002 0.000 0.278 200 E C 0.384 176.985 176.600 0.001 0.000 1.127 200 E CA 0.025 56.427 56.400 0.002 0.000 0.897 200 E CB 1.005 30.707 29.700 0.004 0.000 1.043 200 E HN 0.186 nan 8.360 nan 0.000 0.410 201 S N 3.015 118.714 115.700 -0.001 0.000 2.371 201 S HA 0.069 4.540 4.470 0.002 0.000 0.159 201 S C -0.044 174.555 174.600 -0.002 0.000 1.281 201 S CA -0.077 58.122 58.200 -0.002 0.000 2.161 201 S CB 0.147 63.346 63.200 -0.003 0.000 0.406 201 S HN 0.423 nan 8.310 nan 0.000 0.374 202 E N -0.213 119.985 120.200 -0.003 0.000 2.373 202 E HA 0.524 4.875 4.350 0.002 0.000 0.251 202 E C -0.068 176.529 176.600 -0.004 0.000 0.923 202 E CA 0.160 56.559 56.400 -0.003 0.000 0.798 202 E CB 1.021 30.720 29.700 -0.002 0.000 1.303 202 E HN 0.736 nan 8.360 nan 0.000 0.412 203 G N 2.807 111.605 108.800 -0.004 0.000 2.153 203 G HA2 -0.282 3.679 3.960 0.002 0.000 0.252 203 G HA3 -0.282 3.679 3.960 0.002 0.000 0.252 203 G C -0.170 174.726 174.900 -0.006 0.000 0.994 203 G CA -0.102 44.995 45.100 -0.005 0.000 0.698 203 G HN 0.395 nan 8.290 nan 0.000 0.521 204 N N -0.368 118.329 118.700 -0.006 0.000 2.229 204 N HA 0.692 5.433 4.740 0.002 0.000 0.298 204 N C -0.847 174.659 175.510 -0.008 0.000 1.114 204 N CA -0.176 52.870 53.050 -0.008 0.000 0.776 204 N CB 2.017 40.499 38.487 -0.009 0.000 1.501 204 N HN 0.092 nan 8.380 nan 0.000 0.474 205 T N 1.261 115.808 114.554 -0.011 0.000 2.879 205 T HA 0.585 4.936 4.350 0.002 0.000 0.290 205 T C -0.299 174.390 174.700 -0.020 0.000 0.993 205 T CA -0.448 61.646 62.100 -0.010 0.000 0.975 205 T CB 1.181 70.046 68.868 -0.005 0.000 0.981 205 T HN 0.129 nan 8.240 nan 0.000 0.439 206 L N 3.180 124.392 121.223 -0.019 0.000 2.322 206 L HA 0.640 4.981 4.340 0.002 0.000 0.269 206 L C 0.096 176.942 176.870 -0.040 0.000 1.012 206 L CA -0.744 54.077 54.840 -0.031 0.000 0.815 206 L CB 1.218 43.265 42.059 -0.020 0.000 1.295 206 L HN 0.511 nan 8.230 nan 0.000 0.438 207 N N 1.643 120.298 118.700 -0.075 0.000 2.352 207 N HA 0.441 5.182 4.740 0.002 0.000 0.291 207 N C -1.264 174.169 175.510 -0.128 0.000 1.040 207 N CA -0.484 52.495 53.050 -0.119 0.000 0.864 207 N CB 2.508 40.870 38.487 -0.208 0.000 1.440 207 N HN 0.303 nan 8.380 nan 0.000 0.483 208 I N 1.594 122.111 120.570 -0.089 0.000 2.352 208 I HA 0.218 4.389 4.170 0.002 0.000 0.290 208 I C 0.162 176.217 176.117 -0.103 0.000 1.036 208 I CA 0.061 61.347 61.300 -0.023 0.000 1.336 208 I CB 0.187 38.221 38.000 0.056 0.000 1.407 208 I HN 0.279 nan 8.210 nan 0.000 0.497 209 S N 6.703 122.310 115.700 -0.156 0.000 2.776 209 S HA 0.695 5.166 4.470 0.002 0.000 0.284 209 S C -0.701 173.594 174.600 -0.509 0.000 1.160 209 S CA -0.339 57.696 58.200 -0.276 0.000 1.051 209 S CB 1.232 64.206 63.200 -0.377 0.000 1.037 209 S HN 0.436 nan 8.310 nan 0.000 0.485 210 F N 0.547 120.470 119.950 -0.045 0.000 4.061 210 F HA 0.781 5.308 4.527 0.001 0.000 0.317 210 F C 0.907 176.700 175.800 -0.012 0.000 1.288 210 F CA -0.137 57.847 58.000 -0.027 0.000 0.922 210 F CB -0.084 38.902 39.000 -0.023 0.000 1.794 210 F HN 0.559 nan 8.300 nan 0.000 0.495 211 A N -0.002 122.974 122.820 0.260 0.000 3.686 211 A HA -0.119 4.202 4.320 0.002 0.000 0.220 211 A C 0.861 178.506 177.584 0.102 0.000 1.167 211 A CA 1.072 53.186 52.037 0.129 0.000 1.575 211 A CB -1.987 17.067 19.000 0.091 0.000 0.948 211 A HN 1.157 nan 8.150 nan 0.000 0.820 212 N N -3.066 115.714 118.700 0.133 0.000 2.811 212 N HA -0.199 4.542 4.740 0.002 0.000 0.211 212 N C 0.024 175.570 175.510 0.060 0.000 0.990 212 N CA 2.174 55.281 53.050 0.095 0.000 1.362 212 N CB -1.237 37.290 38.487 0.067 0.000 0.940 212 N HN 1.338 nan 8.380 nan 0.000 0.572 213 I N 1.897 122.497 120.570 0.050 0.000 2.924 213 I HA 0.236 4.407 4.170 0.002 0.000 0.316 213 I C 0.221 176.352 176.117 0.025 0.000 1.014 213 I CA 0.375 61.694 61.300 0.033 0.000 1.106 213 I CB 1.212 39.230 38.000 0.030 0.000 1.311 213 I HN 0.514 nan 8.210 nan 0.000 0.502 214 D N 0.844 121.254 120.400 0.017 0.000 3.039 214 D HA -0.222 4.419 4.640 0.002 0.000 0.222 214 D C -0.276 176.018 176.300 -0.009 0.000 1.179 214 D CA 1.223 55.230 54.000 0.011 0.000 0.880 214 D CB -1.872 38.940 40.800 0.021 0.000 1.115 214 D HN 0.637 nan 8.370 nan 0.000 0.416 215 S N -1.092 114.598 115.700 -0.017 0.000 2.903 215 S HA 0.769 5.240 4.470 0.002 0.000 0.314 215 S C -0.384 174.194 174.600 -0.036 0.000 1.177 215 S CA -0.703 57.465 58.200 -0.054 0.000 0.859 215 S CB 1.436 64.569 63.200 -0.112 0.000 1.265 215 S HN 0.843 nan 8.310 nan 0.000 0.584 216 I N 0.715 121.250 120.570 -0.058 0.000 7.253 216 I HA 0.180 4.351 4.170 0.002 0.000 0.126 216 I C 0.145 176.256 176.117 -0.010 0.000 1.837 216 I CA 0.283 61.569 61.300 -0.025 0.000 2.037 216 I CB -1.712 36.293 38.000 0.007 0.000 3.621 216 I HN 1.800 nan 8.210 nan 0.000 0.169 217 A N 3.741 126.557 122.820 -0.007 0.000 3.573 217 A HA 0.456 4.777 4.320 0.002 0.000 0.200 217 A C -0.138 177.473 177.584 0.045 0.000 1.303 217 A CA 0.375 52.424 52.037 0.020 0.000 1.173 217 A CB -1.339 17.674 19.000 0.022 0.000 0.814 217 A HN 2.351 nan 8.150 nan 0.000 0.391 218 A N -0.551 122.312 122.820 0.070 0.000 2.302 218 A HA 0.616 4.937 4.320 0.002 0.000 0.295 218 A C 0.081 177.719 177.584 0.090 0.000 1.235 218 A CA 0.194 52.324 52.037 0.154 0.000 0.876 218 A CB -0.175 18.924 19.000 0.165 0.000 1.133 218 A HN 1.322 nan 8.150 nan 0.000 0.533 219 L N 2.712 123.951 121.223 0.027 0.000 2.857 219 L HA 0.293 4.634 4.340 0.002 0.000 0.249 219 L C 0.872 177.658 176.870 -0.139 0.000 1.172 219 L CA 0.598 55.377 54.840 -0.100 0.000 0.980 219 L CB -0.756 41.181 42.059 -0.203 0.000 1.299 219 L HN 0.791 nan 8.230 nan 0.000 0.535 220 F N 0.111 120.041 119.950 -0.034 0.000 2.325 220 F HA -0.080 4.447 4.527 0.001 0.000 0.299 220 F C 2.118 177.909 175.800 -0.016 0.000 1.090 220 F CA 1.142 59.128 58.000 -0.023 0.000 1.392 220 F CB -0.199 38.791 39.000 -0.018 0.000 1.053 220 F HN 0.035 nan 8.300 nan 0.000 0.521 221 K N -0.334 120.153 120.400 0.144 0.000 2.366 221 K HA -0.026 4.295 4.320 0.002 0.000 0.198 221 K C 1.671 178.296 176.600 0.041 0.000 1.044 221 K CA 0.471 56.808 56.287 0.083 0.000 0.973 221 K CB -0.101 32.439 32.500 0.066 0.000 0.767 221 K HN 0.218 nan 8.250 nan 0.000 0.475 222 L N 0.605 121.831 121.223 0.004 0.000 2.179 222 L HA -0.061 4.280 4.340 0.002 0.000 0.208 222 L C 2.051 178.912 176.870 -0.015 0.000 1.096 222 L CA 1.371 56.199 54.840 -0.020 0.000 0.779 222 L CB -0.166 41.841 42.059 -0.087 0.000 0.922 222 L HN 0.002 nan 8.230 nan 0.000 0.443 223 R N -0.648 119.834 120.500 -0.030 0.000 2.148 223 R HA -0.157 4.184 4.340 0.002 0.000 0.227 223 R C 1.684 177.997 176.300 0.022 0.000 1.103 223 R CA 1.071 57.160 56.100 -0.017 0.000 0.983 223 R CB -0.350 29.931 30.300 -0.031 0.000 0.874 223 R HN 0.246 nan 8.270 nan 0.000 0.451 224 D N 0.715 121.139 120.400 0.040 0.000 2.309 224 D HA -0.114 4.527 4.640 0.002 0.000 0.212 224 D C 1.257 177.582 176.300 0.043 0.000 0.968 224 D CA 1.214 55.241 54.000 0.046 0.000 0.882 224 D CB 0.296 41.126 40.800 0.050 0.000 0.918 224 D HN 0.150 nan 8.370 nan 0.000 0.503 225 K N -0.686 119.740 120.400 0.044 0.000 2.121 225 K HA 0.132 4.453 4.320 0.002 0.000 0.203 225 K C 2.275 178.905 176.600 0.050 0.000 1.041 225 K CA 0.334 56.651 56.287 0.051 0.000 0.969 225 K CB 0.183 32.724 32.500 0.068 0.000 0.799 225 K HN 0.116 nan 8.250 nan 0.000 0.456 226 I N 1.165 121.765 120.570 0.049 0.000 2.179 226 I HA -0.291 3.880 4.170 0.002 0.000 0.242 226 I C 1.934 178.066 176.117 0.025 0.000 1.088 226 I CA 1.355 62.682 61.300 0.045 0.000 1.357 226 I CB -0.192 37.822 38.000 0.025 0.000 1.051 226 I HN 0.036 nan 8.210 nan 0.000 0.409 227 L N -0.129 121.105 121.223 0.020 0.000 2.200 227 L HA 0.020 4.361 4.340 0.002 0.000 0.200 227 L C 2.026 178.910 176.870 0.024 0.000 1.072 227 L CA 1.438 56.288 54.840 0.016 0.000 0.787 227 L CB -0.617 41.452 42.059 0.015 0.000 0.957 227 L HN 0.112 nan 8.230 nan 0.000 0.459 228 N N -1.191 117.531 118.700 0.036 0.000 2.220 228 N HA -0.085 4.656 4.740 0.002 0.000 0.182 228 N C 1.395 176.940 175.510 0.059 0.000 1.023 228 N CA 1.449 54.530 53.050 0.051 0.000 0.856 228 N CB -0.243 38.275 38.487 0.053 0.000 0.997 228 N HN 0.125 nan 8.380 nan 0.000 0.429 229 T N 0.180 114.764 114.554 0.049 0.000 3.148 229 T HA 0.082 4.433 4.350 0.002 0.000 0.253 229 T C 0.470 175.188 174.700 0.030 0.000 1.134 229 T CA 0.444 62.574 62.100 0.050 0.000 1.051 229 T CB 0.082 68.976 68.868 0.042 0.000 0.959 229 T HN 0.066 nan 8.240 nan 0.000 0.525 230 K N 1.353 121.760 120.400 0.011 0.000 2.201 230 K HA 0.538 4.859 4.320 0.002 0.000 0.278 230 K C -0.560 175.994 176.600 -0.076 0.000 1.027 230 K CA -0.321 55.954 56.287 -0.020 0.000 0.909 230 K CB 0.953 33.447 32.500 -0.011 0.000 1.062 230 K HN 0.180 nan 8.250 nan 0.000 0.465 231 I N 2.117 122.624 120.570 -0.107 0.000 3.133 231 I HA 0.249 4.420 4.170 0.002 0.000 0.311 231 I C 0.856 176.852 176.117 -0.202 0.000 1.072 231 I CA -0.470 60.693 61.300 -0.227 0.000 1.015 231 I CB 1.697 39.585 38.000 -0.187 0.000 1.233 231 I HN 0.590 nan 8.210 nan 0.000 0.473 232 K N 0.772 121.008 120.400 -0.274 0.000 2.703 232 K HA 0.276 4.597 4.320 0.002 0.000 0.196 232 K C 0.568 177.089 176.600 -0.131 0.000 1.457 232 K CA 0.347 56.531 56.287 -0.171 0.000 1.115 232 K CB 1.028 33.435 32.500 -0.154 0.000 1.661 232 K HN 0.785 nan 8.250 nan 0.000 0.552 233 G N 1.366 110.067 108.800 -0.164 0.000 3.345 233 G HA2 0.310 4.271 3.960 0.002 0.000 0.202 233 G HA3 0.310 4.271 3.960 0.002 0.000 0.202 233 G C 0.777 175.689 174.900 0.022 0.000 1.740 233 G CA -0.241 44.828 45.100 -0.052 0.000 0.806 233 G HN -0.097 nan 8.290 nan 0.000 0.718 234 I N -0.912 119.746 120.570 0.146 0.000 6.083 234 I HA 0.539 4.710 4.170 0.002 0.000 0.233 234 I C -0.041 176.303 176.117 0.380 0.000 0.777 234 I CA 0.146 61.565 61.300 0.199 0.000 2.217 234 I CB -0.313 37.759 38.000 0.121 0.000 1.396 234 I HN 0.187 nan 8.210 nan 0.000 0.490 235 K N -1.126 119.400 120.400 0.210 0.000 2.556 235 K HA 0.517 4.838 4.320 0.002 0.000 0.274 235 K C 0.204 176.694 176.600 -0.183 0.000 0.966 235 K CA 0.242 56.512 56.287 -0.027 0.000 0.865 235 K CB 1.535 34.031 32.500 -0.008 0.000 1.444 235 K HN 0.571 nan 8.250 nan 0.000 0.433 236 G N 1.462 110.033 108.800 -0.382 0.000 2.418 236 G HA2 -0.334 3.627 3.960 0.002 0.000 0.259 236 G HA3 -0.334 3.627 3.960 0.002 0.000 0.259 236 G C 0.323 175.115 174.900 -0.180 0.000 0.989 236 G CA 1.369 46.306 45.100 -0.271 0.000 0.646 236 G HN 0.724 nan 8.290 nan 0.000 0.570 237 I N 0.017 120.518 120.570 -0.114 0.000 2.322 237 I HA 0.452 4.623 4.170 0.002 0.000 0.292 237 I C 1.405 177.515 176.117 -0.012 0.000 1.060 237 I CA -0.523 60.754 61.300 -0.038 0.000 1.309 237 I CB 0.609 38.611 38.000 0.004 0.000 1.415 237 I HN 0.172 nan 8.210 nan 0.000 0.492 238 K N 6.464 126.855 120.400 -0.016 0.000 2.366 238 K HA 0.114 4.435 4.320 0.002 0.000 0.198 238 K C 0.527 177.152 176.600 0.043 0.000 1.044 238 K CA 0.267 56.564 56.287 0.017 0.000 0.973 238 K CB 0.132 32.632 32.500 0.002 0.000 0.767 238 K HN 0.693 nan 8.250 nan 0.000 0.475 239 R N -0.095 120.423 120.500 0.031 0.000 2.736 239 R HA 0.337 4.678 4.340 0.002 0.000 0.250 239 R C -2.181 174.130 176.300 0.019 0.000 1.098 239 R CA -0.254 55.863 56.100 0.029 0.000 0.978 239 R CB 1.793 32.106 30.300 0.020 0.000 1.263 239 R HN 0.140 nan 8.270 nan 0.000 0.460 240 A N 5.771 128.602 122.820 0.019 0.000 2.318 240 A HA 0.688 5.009 4.320 0.002 0.000 0.317 240 A C -0.663 176.923 177.584 0.003 0.000 1.159 240 A CA -0.688 51.354 52.037 0.010 0.000 0.799 240 A CB 0.770 19.779 19.000 0.014 0.000 1.194 240 A HN 0.456 nan 8.150 nan 0.000 0.479 241 I N 1.490 122.058 120.570 -0.003 0.000 3.023 241 I HA 0.603 4.774 4.170 0.002 0.000 0.312 241 I C -0.526 175.586 176.117 -0.008 0.000 1.056 241 I CA -0.992 60.305 61.300 -0.005 0.000 1.033 241 I CB 1.728 39.725 38.000 -0.005 0.000 1.233 241 I HN 0.272 nan 8.210 nan 0.000 0.462 242 V N 3.093 123.005 119.914 -0.002 0.000 2.482 242 V HA 0.385 4.505 4.120 0.002 0.000 0.295 242 V C -0.299 175.814 176.094 0.031 0.000 1.026 242 V CA -0.648 61.658 62.300 0.010 0.000 0.856 242 V CB 1.669 33.493 31.823 0.001 0.000 1.001 242 V HN 0.695 nan 8.190 nan 0.000 0.424 243 Q N 2.675 122.492 119.800 0.028 0.000 2.297 243 Q HA 0.638 4.979 4.340 0.002 0.000 0.268 243 Q C -1.160 174.863 176.000 0.038 0.000 1.045 243 Q CA -1.087 54.732 55.803 0.026 0.000 0.861 243 Q CB 2.914 31.649 28.738 -0.006 0.000 1.344 243 Q HN 0.509 nan 8.270 nan 0.000 0.452 244 K N 1.557 121.973 120.400 0.027 0.000 2.339 244 K HA 0.248 4.569 4.320 0.002 0.000 0.264 244 K C -0.071 176.504 176.600 -0.043 0.000 0.986 244 K CA -0.208 56.075 56.287 -0.006 0.000 0.866 244 K CB 1.000 33.528 32.500 0.047 0.000 1.103 244 K HN 0.596 nan 8.250 nan 0.000 0.441 245 K N 0.302 120.651 120.400 -0.084 0.000 2.804 245 K HA 0.110 4.431 4.320 0.002 0.000 0.187 245 K C 0.397 176.911 176.600 -0.142 0.000 2.305 245 K CA -0.126 56.066 56.287 -0.158 0.000 1.426 245 K CB -0.011 32.285 32.500 -0.340 0.000 2.580 245 K HN 0.565 nan 8.250 nan 0.000 0.527 246 G N 2.718 111.446 108.800 -0.120 0.000 2.303 246 G HA2 -0.189 3.772 3.960 0.002 0.000 0.260 246 G HA3 -0.189 3.772 3.960 0.002 0.000 0.260 246 G C 0.058 174.889 174.900 -0.116 0.000 1.106 246 G CA 1.232 46.283 45.100 -0.082 0.000 0.900 246 G HN 0.681 nan 8.290 nan 0.000 0.495 247 D N -1.466 118.834 120.400 -0.167 0.000 2.614 247 D HA -0.180 4.461 4.640 0.002 0.000 0.182 247 D C 0.397 176.430 176.300 -0.445 0.000 1.067 247 D CA 2.740 56.632 54.000 -0.180 0.000 1.053 247 D CB -0.713 40.067 40.800 -0.033 0.000 1.117 247 D HN 0.927 nan 8.370 nan 0.000 0.438 248 E N -1.031 118.891 120.200 -0.463 0.000 2.292 248 E HA 0.379 4.730 4.350 0.002 0.000 0.272 248 E C -1.008 175.302 176.600 -0.484 0.000 0.881 248 E CA -0.824 55.256 56.400 -0.535 0.000 0.754 248 E CB 1.175 30.775 29.700 -0.166 0.000 1.201 248 E HN 0.095 nan 8.360 nan 0.000 0.425 249 Y N 2.062 122.243 120.300 -0.198 0.000 2.402 249 Y HA 0.257 4.807 4.550 0.001 0.000 0.333 249 Y C 0.252 176.083 175.900 -0.115 0.000 1.076 249 Y CA -0.007 58.014 58.100 -0.131 0.000 1.299 249 Y CB 0.288 38.685 38.460 -0.105 0.000 1.197 249 Y HN 0.276 nan 8.280 nan 0.000 0.517 250 I N 5.204 125.768 120.570 -0.010 0.000 2.436 250 I HA 0.353 4.524 4.170 0.002 0.000 0.289 250 I C -0.601 175.459 176.117 -0.095 0.000 1.010 250 I CA -0.766 60.449 61.300 -0.142 0.000 1.098 250 I CB 1.626 39.450 38.000 -0.293 0.000 1.266 250 I HN 0.417 nan 8.210 nan 0.000 0.434 251 I N 6.739 127.249 120.570 -0.099 0.000 2.395 251 I HA 0.316 4.487 4.170 0.002 0.000 0.289 251 I C -0.509 175.565 176.117 -0.072 0.000 1.023 251 I CA -0.393 60.872 61.300 -0.058 0.000 1.350 251 I CB 0.734 38.716 38.000 -0.030 0.000 1.409 251 I HN 0.277 nan 8.210 nan 0.000 0.507 252 L N 6.017 127.212 121.223 -0.047 0.000 2.343 252 L HA 0.524 4.865 4.340 0.002 0.000 0.278 252 L C 0.012 176.869 176.870 -0.022 0.000 0.996 252 L CA -0.606 54.209 54.840 -0.041 0.000 0.831 252 L CB 1.630 43.666 42.059 -0.038 0.000 1.232 252 L HN 0.606 nan 8.230 nan 0.000 0.413 253 T N -3.065 111.478 114.554 -0.017 0.000 2.888 253 T HA 0.342 4.693 4.350 0.002 0.000 0.284 253 T C 0.112 174.807 174.700 -0.008 0.000 1.017 253 T CA -0.825 61.270 62.100 -0.008 0.000 1.022 253 T CB 2.004 70.870 68.868 -0.003 0.000 1.013 253 T HN 0.417 nan 8.240 nan 0.000 0.465 254 D N 1.595 121.992 120.400 -0.004 0.000 2.352 254 D HA 0.282 4.923 4.640 0.002 0.000 0.236 254 D C 0.740 177.033 176.300 -0.011 0.000 1.148 254 D CA 0.183 54.180 54.000 -0.006 0.000 0.844 254 D CB -0.013 40.786 40.800 -0.002 0.000 0.933 254 D HN 0.835 nan 8.370 nan 0.000 0.507 255 G N -0.375 108.417 108.800 -0.013 0.000 2.659 255 G HA2 0.440 4.401 3.960 0.002 0.000 0.296 255 G HA3 0.440 4.401 3.960 0.002 0.000 0.296 255 G C -0.918 173.970 174.900 -0.020 0.000 1.369 255 G CA -0.741 44.345 45.100 -0.023 0.000 0.937 255 G HN 0.002 nan 8.290 nan 0.000 0.485 256 S N 0.577 116.262 115.700 -0.025 0.000 2.601 256 S HA 0.535 5.006 4.470 0.002 0.000 0.312 256 S C -0.591 173.998 174.600 -0.019 0.000 1.107 256 S CA -0.915 57.274 58.200 -0.018 0.000 1.129 256 S CB 1.155 64.344 63.200 -0.018 0.000 0.982 256 S HN 0.579 nan 8.310 nan 0.000 0.469 257 N N 3.822 122.516 118.700 -0.010 0.000 2.675 257 N HA 0.155 4.896 4.740 0.002 0.000 0.254 257 N C 0.015 175.535 175.510 0.016 0.000 1.224 257 N CA -0.397 52.650 53.050 -0.006 0.000 0.777 257 N CB 1.329 39.803 38.487 -0.022 0.000 1.256 257 N HN 0.557 nan 8.380 nan 0.000 0.531 258 L N 2.480 123.720 121.223 0.028 0.000 2.005 258 L HA 0.065 4.406 4.340 0.002 0.000 0.207 258 L C 1.961 178.870 176.870 0.066 0.000 1.072 258 L CA 1.845 56.720 54.840 0.057 0.000 0.744 258 L CB -0.568 41.535 42.059 0.073 0.000 0.895 258 L HN 0.414 nan 8.230 nan 0.000 0.433 259 S N -0.304 115.427 115.700 0.051 0.000 2.383 259 S HA -0.155 4.316 4.470 0.002 0.000 0.229 259 S C 1.848 176.470 174.600 0.037 0.000 1.030 259 S CA 1.187 59.413 58.200 0.044 0.000 1.002 259 S CB -0.904 62.315 63.200 0.031 0.000 0.829 259 S HN 0.708 nan 8.310 nan 0.000 0.467 260 G N 0.740 109.558 108.800 0.031 0.000 2.403 260 G HA2 -0.091 3.870 3.960 0.002 0.000 0.216 260 G HA3 -0.091 3.870 3.960 0.002 0.000 0.216 260 G C 1.381 176.303 174.900 0.037 0.000 1.154 260 G CA 0.718 45.836 45.100 0.030 0.000 0.784 260 G HN 0.442 nan 8.290 nan 0.000 0.538 261 V N 1.049 120.988 119.914 0.042 0.000 2.667 261 V HA -0.031 4.090 4.120 0.002 0.000 0.252 261 V C 2.786 178.913 176.094 0.055 0.000 1.065 261 V CA 0.953 63.282 62.300 0.047 0.000 1.083 261 V CB -0.293 31.560 31.823 0.049 0.000 0.692 261 V HN 0.326 nan 8.190 nan 0.000 0.468 262 L N 0.938 122.198 121.223 0.062 0.000 2.265 262 L HA -0.087 4.254 4.340 0.002 0.000 0.215 262 L C 2.004 178.896 176.870 0.038 0.000 1.117 262 L CA 1.537 56.413 54.840 0.060 0.000 0.782 262 L CB -0.522 41.574 42.059 0.061 0.000 0.914 262 L HN 0.498 nan 8.230 nan 0.000 0.441 263 S N -1.488 114.231 115.700 0.031 0.000 2.618 263 S HA 0.308 4.779 4.470 0.002 0.000 0.242 263 S C 0.074 174.686 174.600 0.019 0.000 0.972 263 S CA -0.600 57.612 58.200 0.021 0.000 1.004 263 S CB -0.278 62.933 63.200 0.018 0.000 0.778 263 S HN -0.007 nan 8.310 nan 0.000 0.459 264 V N 1.520 121.448 119.914 0.023 0.000 2.555 264 V HA 0.434 4.554 4.120 0.002 0.000 0.302 264 V C -0.451 175.651 176.094 0.014 0.000 1.038 264 V CA -1.012 61.299 62.300 0.018 0.000 0.887 264 V CB 1.840 33.677 31.823 0.025 0.000 0.991 264 V HN 0.223 nan 8.190 nan 0.000 0.434 265 K N 2.621 123.020 120.400 -0.003 0.000 2.368 265 K HA 0.571 4.892 4.320 0.002 0.000 0.282 265 K C 0.995 177.585 176.600 -0.017 0.000 1.035 265 K CA 0.828 57.104 56.287 -0.019 0.000 0.973 265 K CB 0.586 33.058 32.500 -0.047 0.000 0.957 265 K HN 1.084 nan 8.250 nan 0.000 0.474 266 G N 0.713 109.511 108.800 -0.003 0.000 2.179 266 G HA2 -0.202 3.759 3.960 0.002 0.000 0.220 266 G HA3 -0.202 3.759 3.960 0.002 0.000 0.220 266 G C -0.285 174.663 174.900 0.080 0.000 0.990 266 G CA -0.293 44.827 45.100 0.033 0.000 0.646 266 G HN 0.402 nan 8.290 nan 0.000 0.517 267 V N 1.407 121.363 119.914 0.071 0.000 2.407 267 V HA 0.485 4.606 4.120 0.002 0.000 0.278 267 V C 0.021 176.179 176.094 0.107 0.000 1.037 267 V CA -0.514 61.840 62.300 0.092 0.000 0.900 267 V CB 1.730 33.601 31.823 0.079 0.000 0.983 267 V HN 0.290 nan 8.190 nan 0.000 0.459 268 D N 4.507 124.988 120.400 0.135 0.000 2.374 268 D HA 0.192 4.833 4.640 0.002 0.000 0.240 268 D C 1.183 177.566 176.300 0.138 0.000 1.229 268 D CA -0.323 53.755 54.000 0.130 0.000 0.895 268 D CB 0.687 41.572 40.800 0.140 0.000 1.046 268 D HN 0.289 nan 8.370 nan 0.000 0.498 269 I N 2.887 123.528 120.570 0.118 0.000 2.264 269 I HA -0.249 3.922 4.170 0.002 0.000 0.248 269 I C 2.103 178.343 176.117 0.205 0.000 1.111 269 I CA 0.878 62.266 61.300 0.147 0.000 1.382 269 I CB -1.381 36.655 38.000 0.060 0.000 1.060 269 I HN 0.425 nan 8.210 nan 0.000 0.418 270 A N 0.217 123.117 122.820 0.133 0.000 2.168 270 A HA -0.106 4.215 4.320 0.002 0.000 0.215 270 A C 1.898 179.548 177.584 0.110 0.000 1.152 270 A CA 1.039 53.151 52.037 0.126 0.000 0.716 270 A CB -0.290 18.745 19.000 0.059 0.000 0.794 270 A HN 0.452 nan 8.150 nan 0.000 0.465 271 K N -0.596 119.868 120.400 0.106 0.000 2.564 271 K HA 0.259 4.580 4.320 0.002 0.000 0.201 271 K C -0.743 175.950 176.600 0.155 0.000 1.086 271 K CA -0.214 56.097 56.287 0.039 0.000 1.062 271 K CB 1.379 33.805 32.500 -0.123 0.000 0.849 271 K HN 0.158 nan 8.250 nan 0.000 0.529 272 V N 2.459 122.469 119.914 0.160 0.000 2.599 272 V HA 0.001 4.122 4.120 0.002 0.000 0.300 272 V C 0.239 176.339 176.094 0.009 0.000 1.034 272 V CA 0.502 62.876 62.300 0.122 0.000 1.115 272 V CB 0.576 32.490 31.823 0.151 0.000 0.934 272 V HN 0.207 nan 8.190 nan 0.000 0.485 273 E N 2.649 122.868 120.200 0.032 0.000 2.210 273 E HA 0.632 4.983 4.350 0.002 0.000 0.266 273 E C -0.910 175.669 176.600 -0.034 0.000 0.883 273 E CA -0.534 55.857 56.400 -0.015 0.000 0.761 273 E CB 2.192 31.922 29.700 0.050 0.000 1.156 273 E HN 0.759 nan 8.360 nan 0.000 0.412 274 T N 1.513 116.026 114.554 -0.068 0.000 2.912 274 T HA 0.132 4.483 4.350 0.002 0.000 0.299 274 T C 0.667 175.338 174.700 -0.048 0.000 1.052 274 T CA -0.987 61.082 62.100 -0.052 0.000 0.996 274 T CB 1.039 69.871 68.868 -0.061 0.000 1.070 274 T HN 0.557 nan 8.240 nan 0.000 0.465 275 N N 1.194 119.875 118.700 -0.031 0.000 2.424 275 N HA -0.047 4.694 4.740 0.002 0.000 0.178 275 N C 0.199 175.693 175.510 -0.025 0.000 1.060 275 N CA 0.189 53.223 53.050 -0.026 0.000 0.901 275 N CB -0.182 38.294 38.487 -0.018 0.000 0.979 275 N HN 0.427 nan 8.380 nan 0.000 0.451 276 N N 0.979 119.663 118.700 -0.026 0.000 2.402 276 N HA 0.164 4.905 4.740 0.002 0.000 0.252 276 N C -0.455 175.042 175.510 -0.022 0.000 1.118 276 N CA -0.363 52.674 53.050 -0.021 0.000 0.945 276 N CB 0.073 38.550 38.487 -0.017 0.000 1.147 276 N HN 0.063 nan 8.380 nan 0.000 0.495 277 I N 2.527 123.087 120.570 -0.017 0.000 3.418 277 I HA 0.246 4.417 4.170 0.002 0.000 0.279 277 I C 1.803 177.920 176.117 -0.000 0.000 1.143 277 I CA -0.353 60.940 61.300 -0.011 0.000 0.983 277 I CB 0.292 38.288 38.000 -0.007 0.000 1.558 277 I HN 0.498 nan 8.210 nan 0.000 0.766 278 R N 0.298 120.804 120.500 0.010 0.000 3.997 278 R HA -0.256 4.085 4.340 0.002 0.000 0.431 278 R C 1.179 177.491 176.300 0.022 0.000 1.066 278 R CA 1.998 58.108 56.100 0.018 0.000 1.382 278 R CB -1.204 29.102 30.300 0.011 0.000 1.978 278 R HN 0.868 nan 8.270 nan 0.000 0.550 279 E N -0.926 119.285 120.200 0.019 0.000 2.332 279 E HA 0.119 4.470 4.350 0.002 0.000 0.202 279 E C 1.788 178.419 176.600 0.052 0.000 0.877 279 E CA 0.072 56.489 56.400 0.029 0.000 0.979 279 E CB 0.163 29.872 29.700 0.015 0.000 0.969 279 E HN 0.140 nan 8.360 nan 0.000 0.495 280 I N 2.118 122.703 120.570 0.024 0.000 2.286 280 I HA -0.212 3.959 4.170 0.002 0.000 0.248 280 I C 2.319 178.500 176.117 0.106 0.000 1.115 280 I CA 1.394 62.709 61.300 0.025 0.000 1.392 280 I CB -1.072 36.880 38.000 -0.080 0.000 1.065 280 I HN 0.308 nan 8.210 nan 0.000 0.418 281 E N 1.085 121.325 120.200 0.067 0.000 2.160 281 E HA -0.241 4.110 4.350 0.002 0.000 0.195 281 E C 1.944 178.593 176.600 0.082 0.000 0.991 281 E CA 1.272 57.715 56.400 0.072 0.000 0.810 281 E CB 0.160 29.888 29.700 0.047 0.000 0.742 281 E HN 0.549 nan 8.360 nan 0.000 0.466 282 E N -0.493 119.756 120.200 0.081 0.000 2.072 282 E HA -0.141 4.210 4.350 0.002 0.000 0.191 282 E C 2.067 178.716 176.600 0.082 0.000 0.985 282 E CA 1.319 57.760 56.400 0.069 0.000 0.801 282 E CB 0.286 30.020 29.700 0.058 0.000 0.750 282 E HN 0.137 nan 8.360 nan 0.000 0.452 283 V N -0.369 119.631 119.914 0.144 0.000 2.581 283 V HA -0.054 4.067 4.120 0.002 0.000 0.240 283 V C 1.410 177.541 176.094 0.062 0.000 1.054 283 V CA 0.997 63.367 62.300 0.117 0.000 1.076 283 V CB -0.137 31.809 31.823 0.204 0.000 0.748 283 V HN 0.145 nan 8.190 nan 0.000 0.474 284 F N 0.626 120.582 119.950 0.009 0.000 2.754 284 F HA 0.534 5.062 4.527 0.002 0.000 0.297 284 F C 1.364 177.169 175.800 0.007 0.000 1.122 284 F CA 0.827 58.832 58.000 0.009 0.000 1.400 284 F CB 0.163 39.169 39.000 0.010 0.000 1.117 284 F HN 0.311 nan 8.300 nan 0.000 0.587 285 G N 0.039 108.930 108.800 0.151 0.000 2.422 285 G HA2 -0.141 3.820 3.960 0.002 0.000 0.607 285 G HA3 -0.141 3.820 3.960 0.002 0.000 0.607 285 G C 0.334 175.280 174.900 0.076 0.000 1.270 285 G CA -0.405 44.746 45.100 0.086 0.000 0.992 285 G HN -0.138 nan 8.290 nan 0.000 0.499 286 I N 0.325 120.926 120.570 0.052 0.000 2.296 286 I HA 0.050 4.221 4.170 0.002 0.000 0.242 286 I C 2.534 178.675 176.117 0.040 0.000 1.087 286 I CA 1.543 62.868 61.300 0.041 0.000 1.393 286 I CB -1.186 36.831 38.000 0.029 0.000 1.093 286 I HN 0.599 nan 8.210 nan 0.000 0.421 287 E N 1.262 121.486 120.200 0.040 0.000 2.268 287 E HA -0.082 4.269 4.350 0.002 0.000 0.195 287 E C 2.209 178.838 176.600 0.047 0.000 0.995 287 E CA 1.109 57.531 56.400 0.037 0.000 0.836 287 E CB 0.048 29.767 29.700 0.032 0.000 0.763 287 E HN 0.433 nan 8.360 nan 0.000 0.491 288 A N 1.058 123.922 122.820 0.073 0.000 2.014 288 A HA 0.064 4.385 4.320 0.002 0.000 0.218 288 A C 2.290 179.904 177.584 0.050 0.000 1.163 288 A CA 1.349 53.442 52.037 0.093 0.000 0.652 288 A CB -0.148 18.972 19.000 0.199 0.000 0.808 288 A HN 0.227 nan 8.150 nan 0.000 0.449 289 A N -0.716 122.132 122.820 0.047 0.000 2.123 289 A HA 0.043 4.364 4.320 0.002 0.000 0.214 289 A C 2.134 179.727 177.584 0.016 0.000 1.152 289 A CA 1.037 53.089 52.037 0.026 0.000 0.728 289 A CB -0.369 18.651 19.000 0.033 0.000 0.814 289 A HN 0.496 nan 8.150 nan 0.000 0.464 290 R N -0.345 120.166 120.500 0.019 0.000 2.062 290 R HA -0.077 4.264 4.340 0.002 0.000 0.229 290 R C 1.847 178.151 176.300 0.008 0.000 1.128 290 R CA 1.301 57.409 56.100 0.014 0.000 0.960 290 R CB -0.147 30.162 30.300 0.016 0.000 0.855 290 R HN 0.419 nan 8.270 nan 0.000 0.432 291 E N 0.664 120.868 120.200 0.007 0.000 2.152 291 E HA -0.152 4.199 4.350 0.002 0.000 0.192 291 E C 1.865 178.458 176.600 -0.012 0.000 0.983 291 E CA 0.485 56.884 56.400 -0.000 0.000 0.818 291 E CB -0.003 29.699 29.700 0.002 0.000 0.758 291 E HN 0.308 nan 8.360 nan 0.000 0.467 292 I N 1.351 121.909 120.570 -0.020 0.000 2.286 292 I HA -0.225 3.946 4.170 0.002 0.000 0.245 292 I C 2.017 178.124 176.117 -0.017 0.000 1.104 292 I CA 0.743 62.024 61.300 -0.032 0.000 1.397 292 I CB -0.513 37.455 38.000 -0.054 0.000 1.072 292 I HN 0.005 nan 8.210 nan 0.000 0.417 293 I N 1.223 121.789 120.570 -0.008 0.000 2.118 293 I HA -0.334 3.837 4.170 0.002 0.000 0.241 293 I C 2.685 178.803 176.117 0.001 0.000 1.070 293 I CA 1.748 63.047 61.300 -0.001 0.000 1.327 293 I CB -1.028 36.975 38.000 0.006 0.000 1.034 293 I HN 0.191 nan 8.210 nan 0.000 0.405 294 I N 0.182 120.754 120.570 0.002 0.000 2.163 294 I HA -0.328 3.843 4.170 0.002 0.000 0.243 294 I C 2.814 178.932 176.117 0.002 0.000 1.085 294 I CA 1.407 62.710 61.300 0.004 0.000 1.347 294 I CB -0.446 37.556 38.000 0.003 0.000 1.044 294 I HN 0.153 nan 8.210 nan 0.000 0.408 295 R N 1.013 121.511 120.500 -0.004 0.000 2.061 295 R HA -0.200 4.141 4.340 0.002 0.000 0.230 295 R C 2.216 178.514 176.300 -0.004 0.000 1.140 295 R CA 1.558 57.655 56.100 -0.006 0.000 0.940 295 R CB -0.277 30.016 30.300 -0.012 0.000 0.839 295 R HN 0.121 nan 8.270 nan 0.000 0.429 296 E N -0.031 120.165 120.200 -0.007 0.000 2.331 296 E HA -0.127 4.223 4.350 0.002 0.000 0.199 296 E C 1.493 178.092 176.600 -0.001 0.000 1.008 296 E CA 0.868 57.264 56.400 -0.006 0.000 0.843 296 E CB -0.064 29.629 29.700 -0.011 0.000 0.761 296 E HN 0.335 nan 8.360 nan 0.000 0.507 297 I N -0.369 120.203 120.570 0.003 0.000 2.193 297 I HA -0.179 3.992 4.170 0.002 0.000 0.240 297 I C 1.999 178.122 176.117 0.010 0.000 1.084 297 I CA 0.927 62.232 61.300 0.008 0.000 1.365 297 I CB -0.916 37.092 38.000 0.014 0.000 1.064 297 I HN 0.056 nan 8.210 nan 0.000 0.410 298 S N 0.793 116.499 115.700 0.009 0.000 2.400 298 S HA -0.177 4.294 4.470 0.002 0.000 0.232 298 S C 1.895 176.500 174.600 0.007 0.000 1.025 298 S CA 1.211 59.417 58.200 0.010 0.000 0.993 298 S CB -0.201 63.004 63.200 0.007 0.000 0.808 298 S HN 0.380 nan 8.310 nan 0.000 0.478 299 K N 0.528 120.931 120.400 0.004 0.000 2.209 299 K HA -0.017 4.304 4.320 0.002 0.000 0.204 299 K C 1.877 178.479 176.600 0.004 0.000 1.048 299 K CA 0.808 57.097 56.287 0.003 0.000 0.940 299 K CB -0.139 32.361 32.500 0.000 0.000 0.729 299 K HN 0.182 nan 8.250 nan 0.000 0.451 300 V N 1.106 121.023 119.914 0.005 0.000 2.256 300 V HA -0.202 3.919 4.120 0.002 0.000 0.240 300 V C 2.024 178.123 176.094 0.007 0.000 1.036 300 V CA 1.450 63.753 62.300 0.005 0.000 1.008 300 V CB -0.306 31.520 31.823 0.005 0.000 0.648 300 V HN 0.166 nan 8.190 nan 0.000 0.453 301 L N 0.658 121.886 121.223 0.010 0.000 2.131 301 L HA -0.099 4.242 4.340 0.002 0.000 0.210 301 L C 2.599 179.475 176.870 0.011 0.000 1.092 301 L CA 1.873 56.720 54.840 0.011 0.000 0.759 301 L CB -0.991 41.078 42.059 0.017 0.000 0.903 301 L HN 0.303 nan 8.230 nan 0.000 0.435 302 A N -0.668 122.158 122.820 0.010 0.000 1.930 302 A HA -0.203 4.118 4.320 0.002 0.000 0.217 302 A C 2.400 179.988 177.584 0.007 0.000 1.175 302 A CA 1.546 53.588 52.037 0.008 0.000 0.627 302 A CB -0.449 18.556 19.000 0.008 0.000 0.815 302 A HN 0.396 nan 8.150 nan 0.000 0.443 303 E N -0.066 120.138 120.200 0.006 0.000 2.150 303 E HA -0.173 4.178 4.350 0.002 0.000 0.193 303 E C 1.726 178.329 176.600 0.004 0.000 0.985 303 E CA 0.891 57.293 56.400 0.004 0.000 0.814 303 E CB -0.198 29.504 29.700 0.003 0.000 0.752 303 E HN 0.617 nan 8.360 nan 0.000 0.466 304 Q N 0.008 119.811 119.800 0.005 0.000 2.436 304 Q HA 0.035 4.375 4.340 0.002 0.000 0.209 304 Q C 0.938 176.941 176.000 0.006 0.000 0.965 304 Q CA 0.838 56.644 55.803 0.005 0.000 0.910 304 Q CB 0.043 28.785 28.738 0.006 0.000 0.980 304 Q HN 0.346 nan 8.270 nan 0.000 0.491 305 G N 1.077 109.881 108.800 0.007 0.000 2.795 305 G HA2 -0.152 3.809 3.960 0.002 0.000 0.664 305 G HA3 -0.152 3.809 3.960 0.002 0.000 0.664 305 G C -0.638 174.267 174.900 0.009 0.000 1.381 305 G CA -0.368 44.736 45.100 0.007 0.000 0.853 305 G HN 0.567 nan 8.290 nan 0.000 0.545 306 L N -0.752 120.476 121.223 0.010 0.000 2.629 306 L HA 0.022 4.363 4.340 0.002 0.000 0.595 306 L C 0.025 176.905 176.870 0.016 0.000 1.000 306 L CA 1.100 55.947 54.840 0.012 0.000 1.304 306 L CB -0.600 41.465 42.059 0.010 0.000 1.841 306 L HN 1.703 nan 8.230 nan 0.000 0.901 307 D N 4.615 125.027 120.400 0.020 0.000 2.193 307 D HA 0.565 5.206 4.640 0.002 0.000 0.249 307 D C -0.279 176.045 176.300 0.040 0.000 1.034 307 D CA -0.277 53.739 54.000 0.026 0.000 0.902 307 D CB 2.395 43.209 40.800 0.024 0.000 1.182 307 D HN 0.447 nan 8.370 nan 0.000 0.436 308 V N 0.860 120.806 119.914 0.053 0.000 2.769 308 V HA 0.265 4.386 4.120 0.002 0.000 0.312 308 V C -0.716 175.444 176.094 0.110 0.000 1.058 308 V CA -0.752 61.606 62.300 0.097 0.000 0.952 308 V CB 1.781 33.654 31.823 0.084 0.000 1.019 308 V HN 0.688 nan 8.190 nan 0.000 0.445 309 D N 4.390 124.893 120.400 0.172 0.000 2.382 309 D HA 0.124 4.765 4.640 0.002 0.000 0.245 309 D C 1.078 177.363 176.300 -0.024 0.000 1.120 309 D CA -0.022 53.993 54.000 0.025 0.000 0.890 309 D CB 1.194 41.922 40.800 -0.121 0.000 1.201 309 D HN 0.505 nan 8.370 nan 0.000 0.433 310 M N 2.952 122.527 119.600 -0.042 0.000 2.143 310 M HA -0.224 4.257 4.480 0.002 0.000 0.258 310 M C 1.796 178.049 176.300 -0.077 0.000 1.071 310 M CA 1.453 56.730 55.300 -0.039 0.000 1.088 310 M CB -0.490 32.089 32.600 -0.034 0.000 1.360 310 M HN 0.416 nan 8.290 nan 0.000 0.404 311 R N -0.221 120.175 120.500 -0.174 0.000 2.119 311 R HA -0.181 4.160 4.340 0.002 0.000 0.246 311 R C 2.016 178.199 176.300 -0.195 0.000 1.146 311 R CA 1.741 57.705 56.100 -0.228 0.000 0.962 311 R CB -0.815 29.278 30.300 -0.345 0.000 0.863 311 R HN 0.539 nan 8.270 nan 0.000 0.442 312 H N -0.799 118.273 119.070 0.003 0.000 2.372 312 H HA 0.032 4.589 4.556 0.002 0.000 0.301 312 H C 2.246 177.575 175.328 0.002 0.000 1.065 312 H CA 1.473 57.523 56.048 0.002 0.000 1.364 312 H CB -0.309 29.455 29.762 0.003 0.000 1.406 312 H HN 0.204 nan 8.280 nan 0.000 0.521 313 I N 1.000 121.639 120.570 0.115 0.000 2.264 313 I HA -0.269 3.902 4.170 0.002 0.000 0.248 313 I C 2.409 178.549 176.117 0.039 0.000 1.111 313 I CA 0.946 62.284 61.300 0.064 0.000 1.382 313 I CB -0.312 37.714 38.000 0.042 0.000 1.060 313 I HN 0.093 nan 8.210 nan 0.000 0.418 314 L N -0.069 121.168 121.223 0.023 0.000 2.083 314 L HA -0.242 4.099 4.340 0.002 0.000 0.209 314 L C 2.548 179.430 176.870 0.019 0.000 1.083 314 L CA 1.260 56.107 54.840 0.012 0.000 0.752 314 L CB -0.489 41.567 42.059 -0.004 0.000 0.899 314 L HN 0.336 nan 8.230 nan 0.000 0.433 315 L N -0.539 120.703 121.223 0.032 0.000 2.005 315 L HA -0.200 4.141 4.340 0.002 0.000 0.207 315 L C 2.587 179.474 176.870 0.028 0.000 1.072 315 L CA 1.202 56.062 54.840 0.033 0.000 0.744 315 L CB -0.111 41.980 42.059 0.053 0.000 0.895 315 L HN 0.032 nan 8.230 nan 0.000 0.433 316 V N 0.316 120.252 119.914 0.036 0.000 2.324 316 V HA -0.358 3.763 4.120 0.002 0.000 0.250 316 V C 2.729 178.834 176.094 0.018 0.000 1.060 316 V CA 1.974 64.290 62.300 0.025 0.000 1.042 316 V CB -1.122 30.719 31.823 0.030 0.000 0.650 316 V HN 0.589 nan 8.190 nan 0.000 0.450 317 A N -0.857 121.975 122.820 0.020 0.000 1.968 317 A HA -0.191 4.130 4.320 0.002 0.000 0.217 317 A C 2.026 179.618 177.584 0.013 0.000 1.169 317 A CA 1.675 53.721 52.037 0.015 0.000 0.638 317 A CB -0.450 18.558 19.000 0.014 0.000 0.812 317 A HN 0.519 nan 8.150 nan 0.000 0.446 318 D N -0.365 120.042 120.400 0.013 0.000 2.194 318 D HA -0.045 4.596 4.640 0.002 0.000 0.204 318 D C 2.037 178.342 176.300 0.008 0.000 0.964 318 D CA 1.075 55.081 54.000 0.010 0.000 0.846 318 D CB 0.021 40.826 40.800 0.009 0.000 0.962 318 D HN 0.216 nan 8.370 nan 0.000 0.490 319 V N 0.747 120.665 119.914 0.007 0.000 2.515 319 V HA -0.200 3.921 4.120 0.002 0.000 0.250 319 V C 2.481 178.576 176.094 0.001 0.000 1.058 319 V CA 1.150 63.450 62.300 0.001 0.000 1.064 319 V CB -0.348 31.474 31.823 -0.003 0.000 0.675 319 V HN 0.203 nan 8.190 nan 0.000 0.461 320 M N 0.640 120.245 119.600 0.007 0.000 2.200 320 M HA -0.114 4.367 4.480 0.002 0.000 0.265 320 M C 2.318 178.626 176.300 0.014 0.000 1.066 320 M CA 2.103 57.411 55.300 0.013 0.000 1.127 320 M CB -0.480 32.131 32.600 0.019 0.000 1.379 320 M HN 0.630 nan 8.290 nan 0.000 0.420 321 T N -1.948 112.614 114.554 0.013 0.000 3.043 321 T HA 0.017 4.368 4.350 0.002 0.000 0.263 321 T C 1.012 175.718 174.700 0.011 0.000 1.094 321 T CA -0.186 61.922 62.100 0.014 0.000 1.127 321 T CB -0.256 68.621 68.868 0.015 0.000 0.905 321 T HN 0.314 nan 8.240 nan 0.000 0.490 322 R N 1.937 122.441 120.500 0.006 0.000 2.640 322 R HA 0.113 4.454 4.340 0.002 0.000 0.270 322 R C -0.612 175.689 176.300 0.001 0.000 1.024 322 R CA 1.101 57.203 56.100 0.003 0.000 1.085 322 R CB -0.562 29.738 30.300 -0.000 0.000 0.963 322 R HN 0.333 nan 8.270 nan 0.000 0.426 323 T N 2.660 117.214 114.554 0.000 0.000 3.875 323 T HA -0.141 4.210 4.350 0.002 0.000 0.381 323 T C 0.937 175.639 174.700 0.004 0.000 0.760 323 T CA 0.593 62.692 62.100 -0.002 0.000 2.040 323 T CB -1.915 66.948 68.868 -0.009 0.000 1.778 323 T HN 1.186 nan 8.240 nan 0.000 0.822 324 G N 0.399 109.203 108.800 0.007 0.000 3.344 324 G HA2 -0.415 3.546 3.960 0.002 0.000 0.370 324 G HA3 -0.415 3.546 3.960 0.002 0.000 0.370 324 G C 0.664 175.575 174.900 0.017 0.000 1.646 324 G CA 0.636 45.743 45.100 0.012 0.000 1.686 324 G HN 1.623 nan 8.290 nan 0.000 0.823 325 V N 1.974 121.899 119.914 0.018 0.000 2.557 325 V HA 0.316 4.437 4.120 0.002 0.000 0.301 325 V C 1.393 177.505 176.094 0.030 0.000 1.026 325 V CA 0.338 62.654 62.300 0.026 0.000 1.137 325 V CB 1.096 32.934 31.823 0.026 0.000 0.917 325 V HN 0.791 nan 8.190 nan 0.000 0.484 326 V N 7.453 127.390 119.914 0.039 0.000 2.843 326 V HA 0.415 4.536 4.120 0.002 0.000 0.305 326 V C 0.424 176.560 176.094 0.069 0.000 1.065 326 V CA -0.186 62.140 62.300 0.043 0.000 1.116 326 V CB 0.873 32.718 31.823 0.038 0.000 0.968 326 V HN 1.077 nan 8.190 nan 0.000 0.487 327 R N 4.697 125.240 120.500 0.071 0.000 2.725 327 R HA 0.442 4.783 4.340 0.002 0.000 0.277 327 R C -0.870 175.510 176.300 0.133 0.000 0.987 327 R CA -0.832 55.338 56.100 0.116 0.000 0.901 327 R CB 1.579 31.900 30.300 0.035 0.000 1.207 327 R HN 0.767 nan 8.270 nan 0.000 0.463 328 Q N 1.727 121.690 119.800 0.272 0.000 2.300 328 Q HA -0.005 4.336 4.340 0.002 0.000 0.280 328 Q C 0.506 176.570 176.000 0.107 0.000 1.033 328 Q CA -0.106 55.810 55.803 0.188 0.000 0.903 328 Q CB 0.891 29.774 28.738 0.242 0.000 1.195 328 Q HN 0.726 nan 8.270 nan 0.000 0.386 329 I N 4.032 124.633 120.570 0.052 0.000 2.530 329 I HA -0.129 4.042 4.170 0.002 0.000 0.257 329 I C 1.028 177.123 176.117 -0.037 0.000 1.179 329 I CA 1.706 63.009 61.300 0.005 0.000 1.440 329 I CB -0.297 37.705 38.000 0.003 0.000 1.087 329 I HN 0.765 nan 8.210 nan 0.000 0.440 330 G N -0.344 108.467 108.800 0.018 0.000 2.714 330 G HA2 0.116 4.077 3.960 0.002 0.000 0.197 330 G HA3 0.116 4.077 3.960 0.002 0.000 0.197 330 G C 1.007 175.930 174.900 0.038 0.000 1.449 330 G CA 0.007 45.118 45.100 0.018 0.000 1.065 330 G HN 0.252 nan 8.290 nan 0.000 0.575 331 R N -0.113 120.527 120.500 0.233 0.000 2.293 331 R HA -0.093 4.248 4.340 0.002 0.000 0.219 331 R C 1.640 178.069 176.300 0.215 0.000 1.091 331 R CA 1.514 57.798 56.100 0.308 0.000 1.004 331 R CB -1.190 29.360 30.300 0.416 0.000 0.865 331 R HN 0.783 nan 8.270 nan 0.000 0.469 332 H N 0.444 119.566 119.070 0.086 0.000 2.276 332 H HA 0.010 4.568 4.556 0.002 0.000 0.307 332 H C 1.439 176.787 175.328 0.033 0.000 1.061 332 H CA 1.961 58.042 56.048 0.055 0.000 1.336 332 H CB 0.086 29.873 29.762 0.042 0.000 1.396 332 H HN 0.285 nan 8.280 nan 0.000 0.503 333 G N 0.127 108.845 108.800 -0.137 0.000 2.687 333 G HA2 0.045 4.006 3.960 0.002 0.000 0.222 333 G HA3 0.045 4.006 3.960 0.002 0.000 0.222 333 G C 1.718 176.560 174.900 -0.096 0.000 1.445 333 G CA 0.490 45.459 45.100 -0.218 0.000 0.836 333 G HN 0.291 nan 8.290 nan 0.000 0.598 334 V N 0.782 120.666 119.914 -0.049 0.000 2.216 334 V HA -0.134 3.987 4.120 0.002 0.000 0.243 334 V C 2.954 178.995 176.094 -0.089 0.000 1.044 334 V CA 2.458 64.723 62.300 -0.059 0.000 0.995 334 V CB -0.770 31.025 31.823 -0.046 0.000 0.633 334 V HN 0.452 nan 8.190 nan 0.000 0.446 335 T N -0.363 114.102 114.554 -0.148 0.000 3.163 335 T HA 0.023 4.374 4.350 0.002 0.000 0.260 335 T C 1.158 175.769 174.700 -0.149 0.000 1.156 335 T CA 0.952 62.916 62.100 -0.227 0.000 1.072 335 T CB -0.475 68.098 68.868 -0.493 0.000 0.937 335 T HN 0.559 nan 8.240 nan 0.000 0.528 336 G N 1.335 110.093 108.800 -0.070 0.000 3.820 336 G HA2 0.326 4.287 3.960 0.002 0.000 0.293 336 G HA3 0.326 4.287 3.960 0.002 0.000 0.293 336 G C 0.172 175.064 174.900 -0.015 0.000 1.152 336 G CA -0.544 44.565 45.100 0.015 0.000 0.921 336 G HN 0.709 nan 8.290 nan 0.000 0.544 337 E N -0.365 119.817 120.200 -0.030 0.000 3.099 337 E HA 0.310 4.661 4.350 0.002 0.000 0.259 337 E C 0.154 176.745 176.600 -0.015 0.000 1.274 337 E CA -0.944 55.438 56.400 -0.031 0.000 1.111 337 E CB 0.394 30.073 29.700 -0.036 0.000 1.327 337 E HN -0.008 nan 8.360 nan 0.000 0.652 338 K N 1.895 122.283 120.400 -0.019 0.000 2.408 338 K HA 0.121 4.442 4.320 0.002 0.000 0.231 338 K C -0.978 175.616 176.600 -0.009 0.000 1.261 338 K CA -0.022 56.256 56.287 -0.015 0.000 1.193 338 K CB -0.864 31.625 32.500 -0.018 0.000 1.431 338 K HN 0.279 nan 8.250 nan 0.000 0.243 339 N N 0.650 119.349 118.700 -0.001 0.000 2.381 339 N HA 0.010 4.751 4.740 0.002 0.000 0.289 339 N C -0.373 175.133 175.510 -0.006 0.000 1.288 339 N CA -0.550 52.501 53.050 0.001 0.000 0.960 339 N CB 0.258 38.751 38.487 0.010 0.000 1.116 339 N HN 0.390 nan 8.380 nan 0.000 0.557 340 S N -0.618 115.075 115.700 -0.012 0.000 2.584 340 S HA 0.166 4.637 4.470 0.002 0.000 0.273 340 S C 1.362 175.947 174.600 -0.024 0.000 1.311 340 S CA -0.807 57.361 58.200 -0.053 0.000 1.034 340 S CB 0.364 63.512 63.200 -0.087 0.000 0.939 340 S HN 0.380 nan 8.310 nan 0.000 0.513 341 V N 4.199 124.089 119.914 -0.041 0.000 2.759 341 V HA -0.048 4.073 4.120 0.002 0.000 0.256 341 V C 1.782 177.883 176.094 0.011 0.000 1.080 341 V CA 1.315 63.624 62.300 0.015 0.000 1.101 341 V CB -1.088 30.738 31.823 0.004 0.000 0.698 341 V HN 0.744 nan 8.190 nan 0.000 0.477 342 L N 1.231 122.433 121.223 -0.034 0.000 2.093 342 L HA 0.117 4.458 4.340 0.002 0.000 0.208 342 L C 2.848 179.735 176.870 0.028 0.000 1.085 342 L CA 1.993 56.832 54.840 -0.003 0.000 0.755 342 L CB -0.984 41.074 42.059 -0.002 0.000 0.904 342 L HN 0.338 nan 8.230 nan 0.000 0.435 343 A N -0.492 122.347 122.820 0.032 0.000 1.930 343 A HA -0.107 4.214 4.320 0.002 0.000 0.215 343 A C 2.402 180.018 177.584 0.053 0.000 1.176 343 A CA 1.039 53.105 52.037 0.049 0.000 0.632 343 A CB -0.353 18.673 19.000 0.043 0.000 0.819 343 A HN 0.289 nan 8.150 nan 0.000 0.445 344 R N -0.759 119.769 120.500 0.047 0.000 2.307 344 R HA 0.157 4.498 4.340 0.002 0.000 0.199 344 R C 1.882 178.079 176.300 -0.170 0.000 1.000 344 R CA 0.725 56.844 56.100 0.032 0.000 1.023 344 R CB -0.105 30.317 30.300 0.202 0.000 0.908 344 R HN 0.506 nan 8.270 nan 0.000 0.473 345 A N -0.053 122.720 122.820 -0.078 0.000 2.063 345 A HA 0.228 4.549 4.320 0.002 0.000 0.211 345 A C 2.063 179.611 177.584 -0.060 0.000 1.177 345 A CA 0.716 52.688 52.037 -0.108 0.000 0.759 345 A CB -0.020 18.965 19.000 -0.026 0.000 0.857 345 A HN 0.295 nan 8.150 nan 0.000 0.468 346 A N -0.279 122.542 122.820 0.002 0.000 1.854 346 A HA 0.201 4.522 4.320 0.002 0.000 0.214 346 A C 0.936 178.541 177.584 0.034 0.000 1.192 346 A CA 0.580 52.631 52.037 0.024 0.000 0.611 346 A CB -0.651 18.382 19.000 0.055 0.000 0.832 346 A HN 0.588 nan 8.150 nan 0.000 0.442 347 F N 0.315 120.226 119.950 -0.065 0.000 2.506 347 F HA 0.315 4.843 4.527 0.001 0.000 0.351 347 F C 1.184 176.921 175.800 -0.105 0.000 1.136 347 F CA 0.592 58.552 58.000 -0.066 0.000 1.298 347 F CB 0.389 39.358 39.000 -0.052 0.000 1.145 347 F HN 0.622 nan 8.300 nan 0.000 0.593 348 E N 2.472 122.024 120.200 -1.081 0.000 3.680 348 E HA -0.293 4.058 4.350 0.002 0.000 0.309 348 E C 0.454 176.867 176.600 -0.313 0.000 0.793 348 E CA 0.714 56.723 56.400 -0.652 0.000 1.083 348 E CB -0.890 28.565 29.700 -0.407 0.000 1.548 348 E HN 0.707 nan 8.360 nan 0.000 0.456 349 V N 0.827 120.602 119.914 -0.233 0.000 5.620 349 V HA -0.297 3.824 4.120 0.002 0.000 0.192 349 V C -0.044 175.985 176.094 -0.108 0.000 0.714 349 V CA 2.400 64.620 62.300 -0.133 0.000 0.544 349 V CB -1.098 30.661 31.823 -0.107 0.000 0.189 349 V HN 0.428 nan 8.190 nan 0.000 0.450 350 T N 2.055 116.542 114.554 -0.112 0.000 2.926 350 T HA 0.680 5.031 4.350 0.002 0.000 0.289 350 T C 0.492 175.181 174.700 -0.018 0.000 1.054 350 T CA 0.016 62.075 62.100 -0.068 0.000 1.015 350 T CB 1.992 70.808 68.868 -0.087 0.000 1.167 350 T HN 0.208 nan 8.240 nan 0.000 0.526 351 V N 1.971 121.898 119.914 0.023 0.000 3.612 351 V HA 0.209 4.330 4.120 0.002 0.000 0.268 351 V C 2.179 178.320 176.094 0.079 0.000 1.365 351 V CA 0.050 62.376 62.300 0.044 0.000 1.044 351 V CB -0.047 31.790 31.823 0.023 0.000 0.820 351 V HN 0.781 nan 8.190 nan 0.000 0.444 352 K N 0.101 120.565 120.400 0.106 0.000 2.152 352 K HA -0.158 4.163 4.320 0.002 0.000 0.206 352 K C 2.017 178.685 176.600 0.113 0.000 1.048 352 K CA 1.707 58.053 56.287 0.098 0.000 0.933 352 K CB -0.241 32.316 32.500 0.096 0.000 0.721 352 K HN 0.607 nan 8.250 nan 0.000 0.447 353 H N 0.631 119.707 119.070 0.009 0.000 2.293 353 H HA -0.073 4.484 4.556 0.002 0.000 0.300 353 H C 2.280 177.608 175.328 0.000 0.000 1.082 353 H CA 1.304 57.358 56.048 0.009 0.000 1.308 353 H CB -0.093 29.680 29.762 0.019 0.000 1.375 353 H HN 0.089 nan 8.280 nan 0.000 0.495 354 L N 0.714 122.016 121.223 0.132 0.000 2.187 354 L HA -0.207 4.134 4.340 0.002 0.000 0.213 354 L C 2.502 179.392 176.870 0.034 0.000 1.100 354 L CA 0.622 55.499 54.840 0.062 0.000 0.765 354 L CB -0.293 41.792 42.059 0.043 0.000 0.904 354 L HN 0.203 nan 8.230 nan 0.000 0.437 355 L N -0.723 120.518 121.223 0.031 0.000 2.027 355 L HA -0.206 4.135 4.340 0.002 0.000 0.206 355 L C 2.042 178.913 176.870 0.002 0.000 1.074 355 L CA 1.185 56.033 54.840 0.014 0.000 0.745 355 L CB -0.564 41.503 42.059 0.013 0.000 0.898 355 L HN 0.192 nan 8.230 nan 0.000 0.433 356 D N 0.259 120.656 120.400 -0.005 0.000 2.218 356 D HA -0.140 4.501 4.640 0.002 0.000 0.204 356 D C 2.218 178.506 176.300 -0.020 0.000 0.976 356 D CA 1.212 55.198 54.000 -0.023 0.000 0.853 356 D CB -0.106 40.662 40.800 -0.054 0.000 0.939 356 D HN 0.301 nan 8.370 nan 0.000 0.481 357 A N 0.681 123.497 122.820 -0.008 0.000 1.978 357 A HA -0.063 4.258 4.320 0.002 0.000 0.220 357 A C 2.239 179.815 177.584 -0.014 0.000 1.170 357 A CA 2.018 54.048 52.037 -0.011 0.000 0.636 357 A CB -0.639 18.360 19.000 -0.002 0.000 0.810 357 A HN 0.256 nan 8.150 nan 0.000 0.448 358 A N -0.452 122.363 122.820 -0.009 0.000 1.898 358 A HA 0.329 4.650 4.320 0.002 0.000 0.214 358 A C 2.486 180.063 177.584 -0.011 0.000 1.183 358 A CA 1.648 53.679 52.037 -0.009 0.000 0.622 358 A CB -0.935 18.063 19.000 -0.004 0.000 0.824 358 A HN 0.929 nan 8.150 nan 0.000 0.444 359 A N -0.040 122.773 122.820 -0.012 0.000 1.855 359 A HA -0.132 4.189 4.320 0.002 0.000 0.215 359 A C 2.160 179.734 177.584 -0.016 0.000 1.191 359 A CA 1.359 53.388 52.037 -0.014 0.000 0.613 359 A CB -0.481 18.510 19.000 -0.015 0.000 0.829 359 A HN 0.371 nan 8.150 nan 0.000 0.442 360 R N -1.098 119.389 120.500 -0.021 0.000 2.189 360 R HA -0.033 4.308 4.340 0.002 0.000 0.223 360 R C 1.408 177.696 176.300 -0.020 0.000 1.092 360 R CA 0.887 56.974 56.100 -0.022 0.000 0.989 360 R CB -0.854 29.429 30.300 -0.028 0.000 0.876 360 R HN 0.986 nan 8.270 nan 0.000 0.457 361 G N 2.030 110.819 108.800 -0.019 0.000 2.147 361 G HA2 -0.226 3.735 3.960 0.002 0.000 0.244 361 G HA3 -0.226 3.735 3.960 0.002 0.000 0.244 361 G C -0.590 174.297 174.900 -0.023 0.000 1.005 361 G CA 0.134 45.223 45.100 -0.018 0.000 0.713 361 G HN 0.240 nan 8.290 nan 0.000 0.515 362 D N 0.237 120.621 120.400 -0.027 0.000 2.455 362 D HA 0.223 4.864 4.640 0.002 0.000 0.265 362 D C 0.976 177.252 176.300 -0.041 0.000 1.284 362 D CA 0.410 54.391 54.000 -0.033 0.000 0.944 362 D CB 0.923 41.702 40.800 -0.036 0.000 1.121 362 D HN 0.162 nan 8.370 nan 0.000 0.525 363 V N 3.677 123.567 119.914 -0.039 0.000 2.223 363 V HA 0.031 4.152 4.120 0.002 0.000 0.249 363 V C 0.589 176.644 176.094 -0.064 0.000 1.233 363 V CA -0.301 61.971 62.300 -0.047 0.000 1.131 363 V CB 0.093 31.897 31.823 -0.031 0.000 1.298 363 V HN 0.313 nan 8.190 nan 0.000 0.498 364 E N 2.984 123.125 120.200 -0.098 0.000 2.156 364 E HA 0.312 4.663 4.350 0.002 0.000 0.279 364 E C 0.520 176.988 176.600 -0.220 0.000 0.965 364 E CA -0.219 56.105 56.400 -0.126 0.000 0.789 364 E CB 1.055 30.684 29.700 -0.118 0.000 1.098 364 E HN 0.603 nan 8.360 nan 0.000 0.397 365 E N 2.764 122.860 120.200 -0.173 0.000 4.032 365 E HA 0.067 4.418 4.350 0.002 0.000 0.574 365 E C -0.057 176.292 176.600 -0.419 0.000 0.258 365 E CA 0.441 56.724 56.400 -0.194 0.000 3.629 365 E CB 0.128 29.831 29.700 0.004 0.000 2.366 365 E HN 0.604 nan 8.360 nan 0.000 0.316 366 F N -1.237 118.712 119.950 -0.002 0.000 1.881 366 F HA 0.141 4.669 4.527 0.002 0.000 0.233 366 F C 1.265 177.082 175.800 0.028 0.000 1.186 366 F CA -0.256 57.750 58.000 0.011 0.000 1.298 366 F CB 0.070 39.070 39.000 0.001 0.000 1.756 366 F HN 0.163 nan 8.300 nan 0.000 0.431 367 K N -0.225 120.324 120.400 0.247 0.000 9.127 367 K HA -0.213 4.108 4.320 0.002 0.000 0.501 367 K C 0.919 177.591 176.600 0.120 0.000 0.371 367 K CA 1.474 57.847 56.287 0.144 0.000 1.951 367 K CB -2.304 30.250 32.500 0.088 0.000 0.721 367 K HN 0.540 nan 8.250 nan 0.000 1.023 368 G N 0.519 109.389 108.800 0.117 0.000 2.580 368 G HA2 0.386 4.347 3.960 0.002 0.000 0.278 368 G HA3 0.386 4.347 3.960 0.002 0.000 0.278 368 G C 1.382 176.341 174.900 0.098 0.000 1.212 368 G CA 0.203 45.355 45.100 0.087 0.000 0.939 368 G HN 0.233 nan 8.290 nan 0.000 0.513 369 V N -1.320 118.635 119.914 0.068 0.000 2.407 369 V HA -0.090 4.031 4.120 0.002 0.000 0.245 369 V C 2.708 178.847 176.094 0.075 0.000 1.041 369 V CA 1.538 63.874 62.300 0.060 0.000 1.040 369 V CB -1.083 30.762 31.823 0.037 0.000 0.671 369 V HN 0.379 nan 8.190 nan 0.000 0.455 370 V N 1.445 121.404 119.914 0.074 0.000 2.287 370 V HA -0.259 3.862 4.120 0.002 0.000 0.248 370 V C 2.753 178.916 176.094 0.115 0.000 1.053 370 V CA 2.598 64.946 62.300 0.080 0.000 1.027 370 V CB -1.015 30.851 31.823 0.072 0.000 0.646 370 V HN 0.589 nan 8.190 nan 0.000 0.447 371 E N 0.360 120.657 120.200 0.161 0.000 2.072 371 E HA -0.119 4.232 4.350 0.002 0.000 0.190 371 E C 2.079 178.870 176.600 0.319 0.000 0.982 371 E CA 1.012 57.581 56.400 0.282 0.000 0.803 371 E CB -0.429 29.490 29.700 0.365 0.000 0.755 371 E HN 0.486 nan 8.360 nan 0.000 0.453 372 N N 0.378 119.216 118.700 0.230 0.000 2.309 372 N HA -0.056 4.685 4.740 0.002 0.000 0.182 372 N C 1.657 177.204 175.510 0.061 0.000 1.018 372 N CA 0.800 53.914 53.050 0.108 0.000 0.876 372 N CB 0.049 38.619 38.487 0.138 0.000 0.972 372 N HN 0.238 nan 8.380 nan 0.000 0.434 373 I N 0.389 120.999 120.570 0.067 0.000 2.406 373 I HA -0.107 4.064 4.170 0.002 0.000 0.249 373 I C 1.929 178.074 176.117 0.046 0.000 1.122 373 I CA 0.555 61.880 61.300 0.042 0.000 1.431 373 I CB -0.061 37.960 38.000 0.036 0.000 1.087 373 I HN -0.024 nan 8.210 nan 0.000 0.424 374 I N 0.387 121.001 120.570 0.074 0.000 2.286 374 I HA -0.272 3.899 4.170 0.002 0.000 0.248 374 I C 2.365 178.525 176.117 0.072 0.000 1.115 374 I CA 1.337 62.685 61.300 0.079 0.000 1.392 374 I CB -0.089 37.976 38.000 0.109 0.000 1.065 374 I HN 0.217 nan 8.210 nan 0.000 0.418 375 I N 0.639 121.245 120.570 0.059 0.000 3.059 375 I HA 0.106 4.277 4.170 0.002 0.000 0.270 375 I C 1.257 177.346 176.117 -0.047 0.000 1.238 375 I CA 0.570 61.855 61.300 -0.024 0.000 1.478 375 I CB -0.503 37.340 38.000 -0.262 0.000 1.097 375 I HN 0.289 nan 8.210 nan 0.000 0.455 376 G N 1.466 110.260 108.800 -0.011 0.000 2.341 376 G HA2 -0.267 3.694 3.960 0.002 0.000 0.278 376 G HA3 -0.267 3.694 3.960 0.002 0.000 0.278 376 G C 0.144 175.061 174.900 0.029 0.000 1.111 376 G CA 0.259 45.361 45.100 0.004 0.000 0.982 376 G HN 0.647 nan 8.290 nan 0.000 0.502 377 H N 0.590 119.589 119.070 -0.120 0.000 2.744 377 H HA 0.427 4.984 4.556 0.002 0.000 0.339 377 H C -2.362 172.915 175.328 -0.085 0.000 1.004 377 H CA -1.702 54.267 56.048 -0.131 0.000 1.257 377 H CB 2.684 32.299 29.762 -0.244 0.000 1.552 377 H HN 0.149 nan 8.280 nan 0.000 0.522 378 P HA -0.108 nan 4.420 nan 0.000 0.263 378 P C 0.508 177.696 177.300 -0.187 0.000 1.162 378 P CA 0.551 63.513 63.100 -0.230 0.000 0.758 378 P CB 0.637 32.186 31.700 -0.252 0.000 0.773 379 I N -0.432 120.083 120.570 -0.091 0.000 2.779 379 I HA 0.152 4.323 4.170 0.002 0.000 0.285 379 I C 0.944 177.031 176.117 -0.049 0.000 1.134 379 I CA -0.385 60.886 61.300 -0.047 0.000 1.398 379 I CB 0.300 38.289 38.000 -0.019 0.000 1.404 379 I HN 0.080 nan 8.210 nan 0.000 0.587 380 K N 3.438 123.826 120.400 -0.020 0.000 2.444 380 K HA 0.257 4.578 4.320 0.002 0.000 0.193 380 K C -0.500 176.096 176.600 -0.007 0.000 1.024 380 K CA 0.184 56.462 56.287 -0.014 0.000 1.077 380 K CB -0.269 32.237 32.500 0.011 0.000 0.833 380 K HN 0.602 nan 8.250 nan 0.000 0.517 381 L N -3.942 117.277 121.223 -0.006 0.000 2.319 381 L HA 0.851 5.192 4.340 0.002 0.000 0.267 381 L C 0.805 177.672 176.870 -0.007 0.000 1.011 381 L CA -0.618 54.220 54.840 -0.003 0.000 0.818 381 L CB 1.150 43.212 42.059 0.004 0.000 1.316 381 L HN 0.111 nan 8.230 nan 0.000 0.432 382 G N 1.182 109.980 108.800 -0.003 0.000 2.527 382 G HA2 -0.324 3.637 3.960 0.002 0.000 0.262 382 G HA3 -0.324 3.637 3.960 0.002 0.000 0.262 382 G C 0.748 175.643 174.900 -0.008 0.000 1.153 382 G CA 0.842 45.940 45.100 -0.004 0.000 0.954 382 G HN 1.466 nan 8.290 nan 0.000 0.552 383 T N -0.247 114.300 114.554 -0.012 0.000 3.072 383 T HA 0.292 4.643 4.350 0.002 0.000 0.266 383 T C 2.336 177.023 174.700 -0.022 0.000 1.127 383 T CA 1.655 63.746 62.100 -0.015 0.000 1.107 383 T CB -0.246 68.613 68.868 -0.016 0.000 0.910 383 T HN 1.733 nan 8.240 nan 0.000 0.513 384 G N 0.884 109.669 108.800 -0.026 0.000 2.421 384 G HA2 -0.029 3.932 3.960 0.002 0.000 0.217 384 G HA3 -0.029 3.932 3.960 0.002 0.000 0.217 384 G C 1.445 176.328 174.900 -0.028 0.000 1.143 384 G CA 0.510 45.588 45.100 -0.037 0.000 0.784 384 G HN 0.485 nan 8.290 nan 0.000 0.541 385 M N 0.615 120.205 119.600 -0.017 0.000 2.236 385 M HA 0.133 4.614 4.480 0.002 0.000 0.266 385 M C 1.236 177.531 176.300 -0.009 0.000 1.070 385 M CA 0.415 55.709 55.300 -0.010 0.000 1.137 385 M CB 0.047 32.644 32.600 -0.004 0.000 1.378 385 M HN 0.010 nan 8.290 nan 0.000 0.426 386 V N 3.623 123.531 119.914 -0.010 0.000 2.529 386 V HA 0.003 4.124 4.120 0.002 0.000 0.292 386 V C -0.313 175.775 176.094 -0.010 0.000 1.028 386 V CA -0.065 62.230 62.300 -0.008 0.000 1.074 386 V CB 0.119 31.938 31.823 -0.008 0.000 0.958 386 V HN 0.503 nan 8.190 nan 0.000 0.481 387 E N 7.229 127.425 120.200 -0.007 0.000 2.195 387 E HA 0.693 5.044 4.350 0.002 0.000 0.271 387 E C -1.367 175.230 176.600 -0.006 0.000 0.923 387 E CA -0.990 55.406 56.400 -0.007 0.000 0.790 387 E CB 2.118 31.814 29.700 -0.005 0.000 1.155 387 E HN 0.650 nan 8.360 nan 0.000 0.402 388 L N 1.473 122.692 121.223 -0.006 0.000 2.341 388 L HA 0.560 4.901 4.340 0.002 0.000 0.267 388 L C -0.263 176.605 176.870 -0.004 0.000 1.009 388 L CA -1.038 53.799 54.840 -0.005 0.000 0.819 388 L CB 2.473 44.529 42.059 -0.006 0.000 1.323 388 L HN 0.614 nan 8.230 nan 0.000 0.425 389 T N 2.136 116.688 114.554 -0.003 0.000 2.848 389 T HA 0.633 4.984 4.350 0.002 0.000 0.285 389 T C -0.899 173.800 174.700 -0.002 0.000 0.995 389 T CA -0.358 61.741 62.100 -0.002 0.000 0.970 389 T CB 1.469 70.336 68.868 -0.002 0.000 0.976 389 T HN 0.404 nan 8.240 nan 0.000 0.441 390 M N 3.478 123.077 119.600 -0.002 0.000 2.535 390 M HA 0.617 5.098 4.480 0.002 0.000 0.314 390 M C -1.369 174.930 176.300 -0.002 0.000 1.153 390 M CA -0.454 54.845 55.300 -0.002 0.000 0.924 390 M CB 1.714 34.312 32.600 -0.003 0.000 1.710 390 M HN 0.429 nan 8.290 nan 0.000 0.451 391 R N 3.794 124.293 120.500 -0.001 0.000 2.439 391 R HA 0.477 4.818 4.340 0.002 0.000 0.310 391 R C -2.063 174.237 176.300 -0.001 0.000 0.955 391 R CA -1.586 54.514 56.100 -0.001 0.000 0.853 391 R CB 0.850 31.149 30.300 -0.001 0.000 1.171 391 R HN 0.489 nan 8.270 nan 0.000 0.449 392 P HA -0.001 nan 4.420 nan 0.000 0.225 392 P C 0.034 177.334 177.300 -0.001 0.000 1.156 392 P CA 0.660 63.760 63.100 -0.001 0.000 0.787 392 P CB 0.241 31.940 31.700 -0.001 0.000 0.802 393 I N -4.239 116.331 120.570 -0.001 0.000 2.619 393 I HA 0.384 4.555 4.170 0.002 0.000 0.292 393 I C -0.796 175.321 176.117 -0.001 0.000 1.100 393 I CA -1.613 59.687 61.300 -0.001 0.000 1.043 393 I CB 2.294 40.294 38.000 -0.001 0.000 1.239 393 I HN -0.404 nan 8.210 nan 0.000 0.420 394 L N 7.052 128.274 121.223 -0.001 0.000 2.376 394 L HA 0.365 4.706 4.340 0.002 0.000 0.250 394 L C 0.943 177.812 176.870 -0.001 0.000 1.335 394 L CA 0.377 55.217 54.840 -0.001 0.000 1.214 394 L CB -0.959 41.100 42.059 -0.001 0.000 1.395 394 L HN 0.696 nan 8.230 nan 0.000 0.424 395 R N 0.000 120.500 120.500 -0.001 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 395 R CB 0.000 30.300 30.300 -0.001 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535