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 2v7p_1_D DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVX XXXXXXXXXX LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGRALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.320 176.300 0.033 0.000 1.140 22 M CA 0.000 55.314 55.300 0.024 0.000 0.988 22 M CB 0.000 32.605 32.600 0.009 0.000 1.302 23 K N 1.840 122.258 120.400 0.030 0.000 2.345 23 K HA 0.796 5.117 4.320 0.003 0.000 0.255 23 K C -2.020 174.593 176.600 0.021 0.000 0.934 23 K CA -0.507 55.802 56.287 0.036 0.000 0.801 23 K CB 2.155 34.679 32.500 0.039 0.000 1.137 23 K HN 0.595 nan 8.250 nan 0.000 0.424 24 V N 2.300 122.226 119.914 0.020 0.000 2.628 24 V HA 0.609 4.730 4.120 0.003 0.000 0.306 24 V C 0.306 176.405 176.094 0.008 0.000 1.045 24 V CA -0.761 61.545 62.300 0.009 0.000 0.905 24 V CB 1.786 33.610 31.823 0.002 0.000 0.997 24 V HN 0.939 nan 8.190 nan 0.000 0.436 25 G N 3.104 111.905 108.800 0.001 0.000 2.420 25 G HA2 0.794 4.756 3.960 0.003 0.000 0.331 25 G HA3 0.794 4.756 3.960 0.003 0.000 0.331 25 G C -1.238 173.653 174.900 -0.014 0.000 1.168 25 G CA -0.552 44.545 45.100 -0.006 0.000 0.936 25 G HN 0.591 nan 8.290 nan 0.000 0.479 26 I N 1.380 121.935 120.570 -0.025 0.000 2.468 26 I HA 0.229 4.401 4.170 0.003 0.000 0.284 26 I C -0.619 175.469 176.117 -0.050 0.000 1.038 26 I CA -0.776 60.504 61.300 -0.032 0.000 1.083 26 I CB 2.420 40.402 38.000 -0.031 0.000 1.223 26 I HN 0.094 nan 8.210 nan 0.000 0.443 27 V N 5.259 125.144 119.914 -0.049 0.000 2.350 27 V HA 0.784 4.906 4.120 0.003 0.000 0.276 27 V C 0.536 176.602 176.094 -0.046 0.000 1.028 27 V CA -0.439 61.824 62.300 -0.061 0.000 0.860 27 V CB 0.966 32.773 31.823 -0.027 0.000 0.990 27 V HN 1.026 nan 8.190 nan 0.000 0.453 28 G N 3.406 112.180 108.800 -0.043 0.000 2.721 28 G HA2 -0.129 3.833 3.960 0.003 0.000 0.462 28 G HA3 -0.129 3.833 3.960 0.003 0.000 0.462 28 G C -0.064 174.818 174.900 -0.030 0.000 1.062 28 G CA -0.062 45.026 45.100 -0.019 0.000 1.233 28 G HN 0.905 nan 8.290 nan 0.000 0.545 29 S N 1.091 116.776 115.700 -0.025 0.000 2.489 29 S HA 0.604 5.076 4.470 0.003 0.000 0.237 29 S C 1.456 176.051 174.600 -0.009 0.000 1.220 29 S CA 0.839 59.020 58.200 -0.032 0.000 1.231 29 S CB -0.537 62.671 63.200 0.012 0.000 0.900 29 S HN 1.535 nan 8.310 nan 0.000 0.492 30 G N 1.805 110.580 108.800 -0.042 0.000 2.666 30 G HA2 0.284 4.246 3.960 0.003 0.000 0.207 30 G HA3 0.284 4.246 3.960 0.003 0.000 0.207 30 G C 1.089 175.898 174.900 -0.153 0.000 1.481 30 G CA -0.256 44.820 45.100 -0.039 0.000 1.071 30 G HN 0.384 nan 8.290 nan 0.000 0.572 31 M N -0.599 118.885 119.600 -0.192 0.000 2.099 31 M HA -0.028 4.454 4.480 0.003 0.000 0.262 31 M C 2.751 178.891 176.300 -0.267 0.000 1.067 31 M CA 0.824 55.883 55.300 -0.401 0.000 1.124 31 M CB -1.366 30.860 32.600 -0.623 0.000 1.353 31 M HN 0.189 nan 8.290 nan 0.000 0.410 32 V N 0.161 120.016 119.914 -0.099 0.000 2.295 32 V HA -0.171 3.951 4.120 0.003 0.000 0.246 32 V C 2.619 178.689 176.094 -0.039 0.000 1.049 32 V CA 2.060 64.354 62.300 -0.009 0.000 1.024 32 V CB -1.728 30.111 31.823 0.027 0.000 0.648 32 V HN 0.557 nan 8.190 nan 0.000 0.447 33 G N 0.204 108.959 108.800 -0.075 0.000 2.402 33 G HA2 -0.253 3.709 3.960 0.003 0.000 0.216 33 G HA3 -0.253 3.709 3.960 0.003 0.000 0.216 33 G C 1.874 176.700 174.900 -0.123 0.000 1.162 33 G CA 1.318 46.371 45.100 -0.078 0.000 0.777 33 G HN 0.637 nan 8.290 nan 0.000 0.539 34 S N 1.021 116.562 115.700 -0.266 0.000 2.406 34 S HA 0.252 4.724 4.470 0.003 0.000 0.228 34 S C 2.573 177.084 174.600 -0.148 0.000 1.020 34 S CA 1.295 59.267 58.200 -0.380 0.000 0.965 34 S CB -0.311 62.217 63.200 -1.120 0.000 0.798 34 S HN 0.533 nan 8.310 nan 0.000 0.488 35 A N 1.827 124.599 122.820 -0.080 0.000 1.930 35 A HA -0.006 4.316 4.320 0.003 0.000 0.217 35 A C 2.396 180.081 177.584 0.167 0.000 1.175 35 A CA 1.991 54.107 52.037 0.132 0.000 0.627 35 A CB -1.614 17.500 19.000 0.189 0.000 0.815 35 A HN 0.546 nan 8.150 nan 0.000 0.443 36 T N 0.295 114.894 114.554 0.076 0.000 2.708 36 T HA -0.029 4.323 4.350 0.003 0.000 0.266 36 T C 2.242 176.977 174.700 0.058 0.000 1.037 36 T CA 1.609 63.744 62.100 0.058 0.000 1.146 36 T CB -0.457 68.422 68.868 0.019 0.000 0.865 36 T HN 0.594 nan 8.240 nan 0.000 0.435 37 A N 0.490 123.337 122.820 0.045 0.000 1.940 37 A HA -0.126 4.196 4.320 0.003 0.000 0.219 37 A C 2.111 179.772 177.584 0.128 0.000 1.176 37 A CA 1.557 53.627 52.037 0.056 0.000 0.631 37 A CB -0.984 18.032 19.000 0.026 0.000 0.814 37 A HN 0.560 nan 8.150 nan 0.000 0.446 38 Y N 0.581 120.888 120.300 0.012 0.000 2.181 38 Y HA -0.060 4.493 4.550 0.004 0.000 0.288 38 Y C 2.681 178.614 175.900 0.055 0.000 1.146 38 Y CA 0.927 59.054 58.100 0.045 0.000 1.164 38 Y CB -0.723 37.782 38.460 0.074 0.000 0.982 38 Y HN 0.307 nan 8.280 nan 0.000 0.515 39 A N 0.109 122.953 122.820 0.040 0.000 1.898 39 A HA -0.141 4.180 4.320 0.003 0.000 0.216 39 A C 2.348 179.896 177.584 -0.061 0.000 1.181 39 A CA 1.700 53.701 52.037 -0.060 0.000 0.620 39 A CB -1.155 17.858 19.000 0.022 0.000 0.819 39 A HN 0.515 nan 8.150 nan 0.000 0.442 40 L N -0.766 120.447 121.223 -0.017 0.000 2.042 40 L HA -0.243 4.098 4.340 0.003 0.000 0.210 40 L C 3.080 179.933 176.870 -0.028 0.000 1.076 40 L CA 1.190 56.017 54.840 -0.023 0.000 0.749 40 L CB -0.567 41.489 42.059 -0.005 0.000 0.893 40 L HN 0.463 nan 8.230 nan 0.000 0.432 41 A N 0.014 122.824 122.820 -0.016 0.000 1.854 41 A HA -0.113 4.209 4.320 0.003 0.000 0.214 41 A C 2.232 179.822 177.584 0.010 0.000 1.192 41 A CA 1.174 53.214 52.037 0.004 0.000 0.611 41 A CB -0.661 18.366 19.000 0.044 0.000 0.832 41 A HN 0.324 nan 8.150 nan 0.000 0.442 42 L N -0.705 120.466 121.223 -0.088 0.000 2.083 42 L HA -0.111 4.231 4.340 0.003 0.000 0.209 42 L C 2.123 179.049 176.870 0.092 0.000 1.083 42 L CA 0.926 55.729 54.840 -0.062 0.000 0.752 42 L CB -0.370 41.531 42.059 -0.264 0.000 0.899 42 L HN 0.344 nan 8.230 nan 0.000 0.433 43 L N -0.556 120.669 121.223 0.004 0.000 2.591 43 L HA 0.141 4.483 4.340 0.003 0.000 0.228 43 L C 1.346 178.103 176.870 -0.188 0.000 1.133 43 L CA 0.384 55.207 54.840 -0.028 0.000 0.880 43 L CB -0.351 41.677 42.059 -0.053 0.000 1.033 43 L HN 0.463 nan 8.230 nan 0.000 0.450 44 G N -0.035 108.673 108.800 -0.153 0.000 2.198 44 G HA2 -0.269 3.693 3.960 0.003 0.000 0.260 44 G HA3 -0.269 3.693 3.960 0.003 0.000 0.260 44 G C 0.782 175.549 174.900 -0.220 0.000 1.025 44 G CA 0.423 45.333 45.100 -0.318 0.000 0.769 44 G HN 0.158 nan 8.290 nan 0.000 0.507 45 V N -0.572 119.265 119.914 -0.128 0.000 2.343 45 V HA 0.241 4.363 4.120 0.003 0.000 0.247 45 V C 1.861 177.912 176.094 -0.071 0.000 1.051 45 V CA 2.607 64.852 62.300 -0.093 0.000 1.036 45 V CB -0.479 31.307 31.823 -0.062 0.000 0.654 45 V HN 1.537 nan 8.190 nan 0.000 0.451 46 A N -1.090 121.698 122.820 -0.053 0.000 2.454 46 A HA 0.697 5.019 4.320 0.003 0.000 0.302 46 A C 0.612 178.180 177.584 -0.026 0.000 1.079 46 A CA -0.597 51.423 52.037 -0.029 0.000 0.731 46 A CB 1.447 20.442 19.000 -0.008 0.000 1.299 46 A HN 0.039 nan 8.150 nan 0.000 0.413 47 R N 0.365 120.860 120.500 -0.009 0.000 2.235 47 R HA 0.059 4.401 4.340 0.003 0.000 0.213 47 R C 0.225 176.552 176.300 0.045 0.000 1.059 47 R CA 1.816 57.908 56.100 -0.012 0.000 0.997 47 R CB -0.024 30.291 30.300 0.025 0.000 0.884 47 R HN 0.779 nan 8.270 nan 0.000 0.462 48 E N -0.806 119.440 120.200 0.077 0.000 2.321 48 E HA 0.328 4.680 4.350 0.003 0.000 0.281 48 E C -1.771 174.879 176.600 0.084 0.000 0.910 48 E CA -0.753 55.729 56.400 0.137 0.000 0.770 48 E CB 1.748 31.561 29.700 0.188 0.000 1.225 48 E HN -0.081 nan 8.360 nan 0.000 0.417 49 V N 3.951 123.917 119.914 0.086 0.000 2.531 49 V HA 0.483 4.605 4.120 0.003 0.000 0.301 49 V C -0.686 175.437 176.094 0.048 0.000 1.034 49 V CA -0.785 61.546 62.300 0.052 0.000 0.865 49 V CB 1.785 33.635 31.823 0.044 0.000 0.995 49 V HN 0.541 nan 8.190 nan 0.000 0.424 50 V N 6.164 126.092 119.914 0.023 0.000 2.444 50 V HA 0.501 4.623 4.120 0.003 0.000 0.294 50 V C -0.344 175.739 176.094 -0.018 0.000 1.022 50 V CA -0.491 61.812 62.300 0.005 0.000 0.850 50 V CB 1.763 33.584 31.823 -0.005 0.000 0.992 50 V HN 0.665 nan 8.190 nan 0.000 0.426 51 L N 5.414 126.624 121.223 -0.023 0.000 2.289 51 L HA 0.660 5.001 4.340 0.003 0.000 0.285 51 L C -0.544 176.282 176.870 -0.074 0.000 1.049 51 L CA -0.559 54.258 54.840 -0.039 0.000 0.804 51 L CB 1.771 43.821 42.059 -0.015 0.000 1.195 51 L HN 0.372 nan 8.230 nan 0.000 0.428 52 V N 2.245 122.094 119.914 -0.109 0.000 2.540 52 V HA 0.549 4.671 4.120 0.003 0.000 0.302 52 V C -0.702 175.305 176.094 -0.145 0.000 1.035 52 V CA -0.550 61.639 62.300 -0.185 0.000 0.873 52 V CB 1.921 33.540 31.823 -0.339 0.000 0.992 52 V HN 0.711 nan 8.190 nan 0.000 0.428 53 D N 2.626 122.950 120.400 -0.126 0.000 2.837 53 D HA 0.338 4.980 4.640 0.003 0.000 0.220 53 D C 0.675 176.939 176.300 -0.061 0.000 1.236 53 D CA -0.557 53.400 54.000 -0.072 0.000 0.838 53 D CB 2.633 43.415 40.800 -0.030 0.000 1.647 53 D HN 0.320 nan 8.370 nan 0.000 0.486 54 L N 0.829 122.033 121.223 -0.032 0.000 2.043 54 L HA -0.140 4.202 4.340 0.003 0.000 0.212 54 L C 1.121 177.981 176.870 -0.017 0.000 1.075 54 L CA 1.151 55.982 54.840 -0.014 0.000 0.752 54 L CB -0.128 41.937 42.059 0.009 0.000 0.891 54 L HN 0.387 nan 8.230 nan 0.000 0.432 55 D N 0.270 120.660 120.400 -0.016 0.000 2.455 55 D HA -0.012 4.630 4.640 0.003 0.000 0.234 55 D C 1.239 177.523 176.300 -0.026 0.000 1.224 55 D CA 0.005 53.994 54.000 -0.018 0.000 0.999 55 D CB 0.592 41.383 40.800 -0.016 0.000 1.072 55 D HN -0.013 nan 8.370 nan 0.000 0.514 56 R N 2.497 122.979 120.500 -0.029 0.000 2.120 56 R HA -0.090 4.252 4.340 0.003 0.000 0.234 56 R C 1.598 177.878 176.300 -0.033 0.000 1.123 56 R CA 0.692 56.771 56.100 -0.034 0.000 0.975 56 R CB -0.030 30.250 30.300 -0.033 0.000 0.866 56 R HN 0.380 nan 8.270 nan 0.000 0.446 57 K N 0.763 121.143 120.400 -0.033 0.000 2.211 57 K HA -0.080 4.241 4.320 0.003 0.000 0.203 57 K C 2.042 178.608 176.600 -0.057 0.000 1.050 57 K CA 0.484 56.747 56.287 -0.040 0.000 0.945 57 K CB -0.341 32.136 32.500 -0.038 0.000 0.732 57 K HN 0.102 nan 8.250 nan 0.000 0.451 58 L N 1.008 122.198 121.223 -0.057 0.000 2.027 58 L HA -0.040 4.302 4.340 0.003 0.000 0.206 58 L C 2.195 179.041 176.870 -0.039 0.000 1.074 58 L CA 1.806 56.596 54.840 -0.082 0.000 0.745 58 L CB -0.732 41.300 42.059 -0.044 0.000 0.898 58 L HN 0.096 nan 8.230 nan 0.000 0.433 59 A N -0.905 121.918 122.820 0.004 0.000 1.883 59 A HA -0.285 4.037 4.320 0.003 0.000 0.217 59 A C 2.227 179.821 177.584 0.017 0.000 1.186 59 A CA 2.028 54.083 52.037 0.030 0.000 0.624 59 A CB -0.705 18.289 19.000 -0.011 0.000 0.822 59 A HN 0.659 nan 8.150 nan 0.000 0.444 60 Q N -0.806 118.984 119.800 -0.016 0.000 2.084 60 Q HA -0.105 4.237 4.340 0.003 0.000 0.202 60 Q C 2.439 178.419 176.000 -0.033 0.000 0.978 60 Q CA 1.470 57.260 55.803 -0.021 0.000 0.844 60 Q CB -0.387 28.336 28.738 -0.025 0.000 0.898 60 Q HN 0.700 nan 8.270 nan 0.000 0.426 61 A N 0.507 123.288 122.820 -0.066 0.000 1.877 61 A HA -0.220 4.102 4.320 0.003 0.000 0.216 61 A C 1.777 179.300 177.584 -0.102 0.000 1.186 61 A CA 1.456 53.429 52.037 -0.106 0.000 0.620 61 A CB -0.684 18.210 19.000 -0.177 0.000 0.822 61 A HN 0.352 nan 8.150 nan 0.000 0.443 62 H N -0.325 118.710 119.070 -0.059 0.000 2.353 62 H HA -0.010 4.548 4.556 0.003 0.000 0.300 62 H C 2.567 177.857 175.328 -0.063 0.000 1.090 62 H CA 1.359 57.368 56.048 -0.065 0.000 1.327 62 H CB -0.545 29.181 29.762 -0.060 0.000 1.383 62 H HN 0.499 nan 8.280 nan 0.000 0.508 63 A N 0.958 123.822 122.820 0.072 0.000 1.877 63 A HA -0.178 4.144 4.320 0.003 0.000 0.216 63 A C 2.374 179.919 177.584 -0.066 0.000 1.186 63 A CA 1.677 53.724 52.037 0.017 0.000 0.620 63 A CB -0.409 18.598 19.000 0.012 0.000 0.822 63 A HN 0.441 nan 8.150 nan 0.000 0.443 64 E N -0.810 119.318 120.200 -0.120 0.000 2.077 64 E HA -0.219 4.133 4.350 0.003 0.000 0.193 64 E C 1.710 177.928 176.600 -0.636 0.000 0.989 64 E CA 1.187 57.392 56.400 -0.325 0.000 0.800 64 E CB -0.136 29.466 29.700 -0.164 0.000 0.746 64 E HN 0.601 nan 8.360 nan 0.000 0.452 65 D N 0.455 120.701 120.400 -0.257 0.000 2.117 65 D HA -0.111 4.531 4.640 0.003 0.000 0.198 65 D C 1.848 178.122 176.300 -0.043 0.000 0.982 65 D CA 0.890 54.822 54.000 -0.114 0.000 0.828 65 D CB -0.031 40.766 40.800 -0.006 0.000 0.967 65 D HN 0.128 nan 8.370 nan 0.000 0.464 66 I N 0.046 120.616 120.570 0.000 0.000 2.315 66 I HA -0.177 3.995 4.170 0.003 0.000 0.248 66 I C 2.329 178.498 176.117 0.087 0.000 1.117 66 I CA 0.270 61.642 61.300 0.120 0.000 1.404 66 I CB -0.179 37.912 38.000 0.151 0.000 1.071 66 I HN 0.083 nan 8.210 nan 0.000 0.419 67 L N 0.810 122.016 121.223 -0.028 0.000 2.081 67 L HA -0.281 4.061 4.340 0.003 0.000 0.212 67 L C 2.362 179.284 176.870 0.086 0.000 1.080 67 L CA 2.140 56.982 54.840 0.004 0.000 0.754 67 L CB -0.848 41.189 42.059 -0.037 0.000 0.893 67 L HN 0.298 nan 8.230 nan 0.000 0.433 68 H N -1.433 117.697 119.070 0.100 0.000 2.546 68 H HA 0.094 4.651 4.556 0.002 0.000 0.277 68 H C 2.056 177.472 175.328 0.145 0.000 1.004 68 H CA 0.366 56.468 56.048 0.089 0.000 1.231 68 H CB 0.054 29.878 29.762 0.103 0.000 1.382 68 H HN 0.541 nan 8.280 nan 0.000 0.580 69 A N 0.716 123.726 122.820 0.317 0.000 2.067 69 A HA -0.124 4.198 4.320 0.003 0.000 0.217 69 A C 2.463 180.198 177.584 0.251 0.000 1.156 69 A CA 1.274 53.560 52.037 0.415 0.000 0.683 69 A CB -0.657 18.607 19.000 0.439 0.000 0.808 69 A HN 0.510 nan 8.150 nan 0.000 0.455 70 T N -1.938 112.676 114.554 0.099 0.000 2.867 70 T HA -0.038 4.314 4.350 0.003 0.000 0.268 70 T C -0.464 174.176 174.700 -0.098 0.000 1.057 70 T CA 1.246 63.349 62.100 0.006 0.000 1.136 70 T CB -1.385 67.467 68.868 -0.027 0.000 0.874 70 T HN 0.354 nan 8.240 nan 0.000 0.466 71 P HA 0.100 nan 4.420 nan 0.000 0.226 71 P C 0.574 177.648 177.300 -0.376 0.000 1.153 71 P CA 0.550 63.445 63.100 -0.341 0.000 0.777 71 P CB -0.329 31.095 31.700 -0.460 0.000 0.794 72 F N -1.405 118.522 119.950 -0.038 0.000 2.743 72 F HA 0.269 4.798 4.527 0.004 0.000 0.297 72 F C 1.845 177.570 175.800 -0.125 0.000 1.131 72 F CA 0.360 58.326 58.000 -0.057 0.000 1.426 72 F CB -0.581 38.407 39.000 -0.020 0.000 1.116 72 F HN -0.051 nan 8.300 nan 0.000 0.583 73 A N -1.296 121.499 122.820 -0.042 0.000 1.873 73 A HA 0.484 4.806 4.320 0.003 0.000 0.188 73 A C -0.711 176.548 177.584 -0.543 0.000 2.054 73 A CA -0.097 51.775 52.037 -0.275 0.000 1.506 73 A CB 0.200 19.127 19.000 -0.121 0.000 1.084 73 A HN 0.239 nan 8.150 nan 0.000 0.620 74 H N -0.137 118.903 119.070 -0.051 0.000 2.747 74 H HA 0.519 5.077 4.556 0.003 0.000 0.371 74 H C -2.831 172.415 175.328 -0.136 0.000 1.161 74 H CA -2.000 53.998 56.048 -0.085 0.000 1.167 74 H CB 1.219 30.935 29.762 -0.077 0.000 1.732 74 H HN 0.244 nan 8.280 nan 0.000 0.544 75 P HA 0.020 nan 4.420 nan 0.000 0.264 75 P C -0.849 176.278 177.300 -0.290 0.000 1.229 75 P CA 0.167 63.115 63.100 -0.253 0.000 0.780 75 P CB 0.272 31.797 31.700 -0.290 0.000 0.808 76 V N 4.632 124.358 119.914 -0.315 0.000 2.569 76 V HA 0.229 4.351 4.120 0.003 0.000 0.301 76 V C -0.392 175.590 176.094 -0.188 0.000 1.044 76 V CA -0.655 61.515 62.300 -0.217 0.000 0.874 76 V CB 1.670 33.458 31.823 -0.058 0.000 1.002 76 V HN 0.480 nan 8.190 nan 0.000 0.424 77 W N 4.320 125.630 121.300 0.016 0.000 2.510 77 W HA 0.446 5.107 4.660 0.002 0.000 0.388 77 W C 0.002 176.525 176.519 0.007 0.000 1.092 77 W CA -0.580 56.771 57.345 0.010 0.000 1.562 77 W CB 0.714 30.177 29.460 0.006 0.000 1.603 77 W HN 0.349 nan 8.180 nan 0.000 0.396 78 V N 5.189 125.245 119.914 0.237 0.000 2.465 78 V HA 0.571 4.692 4.120 0.003 0.000 0.279 78 V C 0.300 176.462 176.094 0.114 0.000 1.045 78 V CA -0.739 61.643 62.300 0.135 0.000 0.938 78 V CB 0.978 32.853 31.823 0.088 0.000 0.986 78 V HN 0.594 nan 8.190 nan 0.000 0.467 79 R N 3.561 124.105 120.500 0.072 0.000 2.712 79 R HA 0.855 5.197 4.340 0.003 0.000 0.272 79 R C -0.960 175.348 176.300 0.012 0.000 1.032 79 R CA -0.662 55.461 56.100 0.038 0.000 0.874 79 R CB 1.682 32.001 30.300 0.031 0.000 1.256 79 R HN 0.667 nan 8.270 nan 0.000 0.468 84 S N -1.509 114.117 115.700 -0.124 0.000 2.766 84 S HA 0.557 5.029 4.470 0.003 0.000 0.307 84 S C 0.847 175.342 174.600 -0.175 0.000 1.121 84 S CA -0.487 57.597 58.200 -0.192 0.000 0.980 84 S CB 1.117 64.270 63.200 -0.079 0.000 1.159 84 S HN 0.558 nan 8.310 nan 0.000 0.546 85 Y N 0.911 121.197 120.300 -0.022 0.000 2.241 85 Y HA -0.012 4.540 4.550 0.004 0.000 0.286 85 Y C 2.709 178.596 175.900 -0.022 0.000 1.166 85 Y CA 1.634 59.719 58.100 -0.026 0.000 1.203 85 Y CB -1.166 37.276 38.460 -0.030 0.000 0.977 85 Y HN 0.877 nan 8.280 nan 0.000 0.529 86 G N -0.338 108.532 108.800 0.116 0.000 2.450 86 G HA2 -0.223 3.739 3.960 0.003 0.000 0.220 86 G HA3 -0.223 3.739 3.960 0.003 0.000 0.220 86 G C 1.265 176.182 174.900 0.029 0.000 1.130 86 G CA 1.235 46.372 45.100 0.061 0.000 0.760 86 G HN 0.343 nan 8.290 nan 0.000 0.557 87 D N 0.256 120.661 120.400 0.007 0.000 2.363 87 D HA 0.022 4.664 4.640 0.003 0.000 0.220 87 D C 2.128 178.429 176.300 0.002 0.000 0.994 87 D CA 0.152 54.148 54.000 -0.007 0.000 0.890 87 D CB 0.188 40.972 40.800 -0.027 0.000 0.906 87 D HN 0.318 nan 8.370 nan 0.000 0.530 88 L N 0.878 122.112 121.223 0.018 0.000 2.599 88 L HA -0.012 4.330 4.340 0.003 0.000 0.230 88 L C 0.977 177.862 176.870 0.025 0.000 1.141 88 L CA -0.046 54.809 54.840 0.025 0.000 0.877 88 L CB -0.133 41.957 42.059 0.051 0.000 1.009 88 L HN -0.164 nan 8.230 nan 0.000 0.447 89 E N 0.437 120.650 120.200 0.021 0.000 2.480 89 E HA 0.232 4.584 4.350 0.003 0.000 0.258 89 E C 1.187 177.795 176.600 0.014 0.000 0.984 89 E CA 0.604 57.013 56.400 0.016 0.000 0.930 89 E CB 0.578 30.285 29.700 0.011 0.000 0.936 89 E HN 0.612 nan 8.360 nan 0.000 0.466 90 G N 2.379 111.187 108.800 0.013 0.000 2.176 90 G HA2 -0.224 3.738 3.960 0.003 0.000 0.253 90 G HA3 -0.224 3.738 3.960 0.003 0.000 0.253 90 G C 0.489 175.398 174.900 0.015 0.000 0.979 90 G CA 0.227 45.335 45.100 0.013 0.000 0.641 90 G HN 1.479 nan 8.290 nan 0.000 0.530 91 A N 0.213 123.042 122.820 0.016 0.000 2.511 91 A HA 0.608 4.929 4.320 0.003 0.000 0.242 91 A C 1.509 179.099 177.584 0.011 0.000 1.069 91 A CA 0.636 52.682 52.037 0.015 0.000 0.763 91 A CB 0.262 19.271 19.000 0.014 0.000 1.001 91 A HN 0.327 nan 8.150 nan 0.000 0.498 92 R N 1.077 121.583 120.500 0.009 0.000 2.210 92 R HA 0.230 4.572 4.340 0.003 0.000 0.203 92 R C 0.427 176.729 176.300 0.004 0.000 1.010 92 R CA 1.214 57.318 56.100 0.007 0.000 1.008 92 R CB -0.260 30.043 30.300 0.005 0.000 0.923 92 R HN 0.834 nan 8.270 nan 0.000 0.469 93 A N 0.284 123.105 122.820 0.001 0.000 2.549 93 A HA 0.600 4.922 4.320 0.003 0.000 0.297 93 A C -1.283 176.299 177.584 -0.003 0.000 1.061 93 A CA -0.517 51.518 52.037 -0.003 0.000 0.690 93 A CB 2.199 21.193 19.000 -0.010 0.000 1.287 93 A HN -0.075 nan 8.150 nan 0.000 0.402 94 V N 1.973 121.883 119.914 -0.006 0.000 2.569 94 V HA 0.392 4.513 4.120 0.003 0.000 0.301 94 V C -0.477 175.607 176.094 -0.018 0.000 1.044 94 V CA -0.580 61.714 62.300 -0.009 0.000 0.874 94 V CB 1.738 33.559 31.823 -0.004 0.000 1.002 94 V HN 0.757 nan 8.190 nan 0.000 0.424 95 V N 6.262 126.164 119.914 -0.020 0.000 2.461 95 V HA 0.341 4.463 4.120 0.003 0.000 0.275 95 V C -0.250 175.825 176.094 -0.032 0.000 1.047 95 V CA -0.419 61.869 62.300 -0.020 0.000 0.955 95 V CB 1.385 33.199 31.823 -0.016 0.000 0.988 95 V HN 0.562 nan 8.190 nan 0.000 0.471 96 L N 5.190 126.392 121.223 -0.035 0.000 2.287 96 L HA 0.548 4.890 4.340 0.003 0.000 0.280 96 L C 0.757 177.640 176.870 0.021 0.000 1.055 96 L CA 0.340 55.133 54.840 -0.079 0.000 0.863 96 L CB 0.907 42.833 42.059 -0.222 0.000 1.245 96 L HN 0.747 nan 8.230 nan 0.000 0.432 97 A N 2.728 125.557 122.820 0.015 0.000 2.676 97 A HA 0.755 5.077 4.320 0.003 0.000 0.297 97 A C 0.671 178.292 177.584 0.061 0.000 1.132 97 A CA -0.108 51.960 52.037 0.053 0.000 0.972 97 A CB 0.103 19.114 19.000 0.019 0.000 1.197 97 A HN 0.537 nan 8.150 nan 0.000 0.524 98 A N 0.021 122.887 122.820 0.077 0.000 2.331 98 A HA 0.717 5.039 4.320 0.003 0.000 0.283 98 A C 0.473 178.151 177.584 0.156 0.000 1.142 98 A CA 0.289 52.378 52.037 0.086 0.000 0.812 98 A CB 0.456 19.485 19.000 0.048 0.000 1.074 98 A HN 1.233 nan 8.150 nan 0.000 0.497 99 G N 0.225 109.087 108.800 0.103 0.000 2.718 99 G HA2 0.624 4.586 3.960 0.003 0.000 0.295 99 G HA3 0.624 4.586 3.960 0.003 0.000 0.295 99 G C -0.361 174.577 174.900 0.064 0.000 1.421 99 G CA 0.075 45.233 45.100 0.096 0.000 0.902 99 G HN 1.548 nan 8.290 nan 0.000 0.501 113 L N 1.487 122.702 121.223 -0.013 0.000 2.187 113 L HA -0.172 4.170 4.340 0.003 0.000 0.213 113 L C 1.500 178.356 176.870 -0.024 0.000 1.100 113 L CA 2.424 57.243 54.840 -0.036 0.000 0.765 113 L CB -0.679 41.364 42.059 -0.027 0.000 0.904 113 L HN 0.359 nan 8.230 nan 0.000 0.437 114 D N -0.538 119.863 120.400 0.003 0.000 2.087 114 D HA -0.175 4.466 4.640 0.003 0.000 0.192 114 D C 2.333 178.645 176.300 0.021 0.000 0.993 114 D CA 1.637 55.648 54.000 0.019 0.000 0.828 114 D CB 0.001 40.814 40.800 0.022 0.000 0.968 114 D HN 0.298 nan 8.370 nan 0.000 0.448 115 R N 0.058 120.569 120.500 0.018 0.000 2.075 115 R HA -0.025 4.316 4.340 0.003 0.000 0.232 115 R C 1.981 178.301 176.300 0.032 0.000 1.126 115 R CA 0.971 57.088 56.100 0.028 0.000 0.963 115 R CB -0.193 30.123 30.300 0.027 0.000 0.858 115 R HN 0.124 nan 8.270 nan 0.000 0.435 116 N N 0.798 119.502 118.700 0.007 0.000 2.104 116 N HA -0.153 4.589 4.740 0.003 0.000 0.190 116 N C 1.611 177.099 175.510 -0.037 0.000 1.024 116 N CA 1.696 54.742 53.050 -0.007 0.000 0.853 116 N CB -0.384 38.054 38.487 -0.080 0.000 1.008 116 N HN 0.244 nan 8.380 nan 0.000 0.424 117 A N 0.430 123.199 122.820 -0.085 0.000 1.972 117 A HA -0.160 4.162 4.320 0.003 0.000 0.219 117 A C 2.367 179.979 177.584 0.047 0.000 1.169 117 A CA 2.308 54.286 52.037 -0.098 0.000 0.635 117 A CB -1.076 17.879 19.000 -0.075 0.000 0.810 117 A HN 0.458 nan 8.150 nan 0.000 0.446 118 Q N -0.652 119.189 119.800 0.068 0.000 2.119 118 Q HA -0.002 4.340 4.340 0.003 0.000 0.201 118 Q C 2.221 178.287 176.000 0.111 0.000 0.972 118 Q CA 1.706 57.561 55.803 0.087 0.000 0.847 118 Q CB -1.436 27.340 28.738 0.064 0.000 0.903 118 Q HN 0.539 nan 8.270 nan 0.000 0.433 119 V N -0.168 119.829 119.914 0.139 0.000 2.282 119 V HA -0.236 3.886 4.120 0.003 0.000 0.249 119 V C 2.281 178.506 176.094 0.219 0.000 1.057 119 V CA 1.986 64.392 62.300 0.177 0.000 1.032 119 V CB -0.814 31.146 31.823 0.230 0.000 0.645 119 V HN 0.671 nan 8.190 nan 0.000 0.447 120 F N 0.667 120.606 119.950 -0.020 0.000 2.234 120 F HA -0.031 4.497 4.527 0.003 0.000 0.299 120 F C 2.359 178.139 175.800 -0.034 0.000 1.087 120 F CA 0.762 58.740 58.000 -0.036 0.000 1.340 120 F CB -1.079 37.873 39.000 -0.080 0.000 1.031 120 F HN 0.083 nan 8.300 nan 0.000 0.500 121 A N -0.088 122.830 122.820 0.162 0.000 1.902 121 A HA -0.245 4.076 4.320 0.003 0.000 0.217 121 A C 2.293 179.891 177.584 0.023 0.000 1.181 121 A CA 2.417 54.509 52.037 0.092 0.000 0.623 121 A CB -1.338 17.723 19.000 0.101 0.000 0.818 121 A HN 0.397 nan 8.150 nan 0.000 0.443 122 Q N -0.866 118.946 119.800 0.019 0.000 2.079 122 Q HA -0.007 4.335 4.340 0.003 0.000 0.200 122 Q C 2.285 178.213 176.000 -0.120 0.000 0.974 122 Q CA 1.975 57.758 55.803 -0.032 0.000 0.840 122 Q CB -1.220 27.523 28.738 0.008 0.000 0.898 122 Q HN 0.527 nan 8.270 nan 0.000 0.430 123 V N 0.036 119.883 119.914 -0.112 0.000 2.346 123 V HA -0.168 3.954 4.120 0.003 0.000 0.244 123 V C 2.517 178.459 176.094 -0.253 0.000 1.037 123 V CA 1.413 63.599 62.300 -0.190 0.000 1.029 123 V CB -0.210 31.506 31.823 -0.177 0.000 0.663 123 V HN 0.507 nan 8.190 nan 0.000 0.454 124 V N 1.454 121.247 119.914 -0.201 0.000 2.233 124 V HA -0.168 3.954 4.120 0.003 0.000 0.247 124 V C 0.320 176.326 176.094 -0.147 0.000 1.050 124 V CA 2.791 64.994 62.300 -0.162 0.000 1.010 124 V CB -1.976 29.794 31.823 -0.089 0.000 0.637 124 V HN 0.528 nan 8.190 nan 0.000 0.444 125 P HA -0.163 nan 4.420 nan 0.000 0.218 125 P C 1.570 178.762 177.300 -0.181 0.000 1.149 125 P CA 1.457 64.480 63.100 -0.128 0.000 0.817 125 P CB -0.124 31.515 31.700 -0.102 0.000 0.785 126 R N -0.319 119.997 120.500 -0.307 0.000 2.075 126 R HA -0.035 4.307 4.340 0.003 0.000 0.232 126 R C 2.390 178.478 176.300 -0.353 0.000 1.126 126 R CA 1.028 56.846 56.100 -0.470 0.000 0.963 126 R CB -0.988 28.706 30.300 -1.009 0.000 0.858 126 R HN 0.070 nan 8.270 nan 0.000 0.435 127 V N 1.525 121.282 119.914 -0.262 0.000 2.261 127 V HA -0.244 3.878 4.120 0.003 0.000 0.246 127 V C 2.266 178.335 176.094 -0.041 0.000 1.047 127 V CA 1.736 64.006 62.300 -0.049 0.000 1.015 127 V CB -0.412 31.393 31.823 -0.030 0.000 0.642 127 V HN 0.302 nan 8.190 nan 0.000 0.446 128 L N -0.150 121.033 121.223 -0.067 0.000 2.217 128 L HA -0.152 4.190 4.340 0.003 0.000 0.211 128 L C 2.564 179.410 176.870 -0.040 0.000 1.107 128 L CA 1.541 56.355 54.840 -0.044 0.000 0.783 128 L CB -0.597 41.434 42.059 -0.047 0.000 0.919 128 L HN 0.489 nan 8.230 nan 0.000 0.442 129 E N 0.893 121.058 120.200 -0.059 0.000 2.070 129 E HA -0.289 4.063 4.350 0.003 0.000 0.197 129 E C 2.134 178.721 176.600 -0.021 0.000 1.004 129 E CA 1.748 58.120 56.400 -0.046 0.000 0.805 129 E CB 0.030 29.690 29.700 -0.067 0.000 0.744 129 E HN 0.467 nan 8.360 nan 0.000 0.451 130 A N 0.612 123.428 122.820 -0.007 0.000 1.903 130 A HA 0.381 4.703 4.320 0.003 0.000 0.213 130 A C 1.159 178.752 177.584 0.015 0.000 1.185 130 A CA 0.825 52.873 52.037 0.018 0.000 0.628 130 A CB -0.016 19.017 19.000 0.056 0.000 0.830 130 A HN 0.350 nan 8.150 nan 0.000 0.446 131 A N -0.953 121.875 122.820 0.012 0.000 2.356 131 A HA 0.593 4.915 4.320 0.003 0.000 0.323 131 A C 0.172 177.757 177.584 0.001 0.000 1.119 131 A CA -0.452 51.591 52.037 0.010 0.000 0.790 131 A CB 0.484 19.493 19.000 0.016 0.000 1.273 131 A HN 0.170 nan 8.150 nan 0.000 0.452 132 E N -0.068 120.135 120.200 0.004 0.000 2.476 132 E HA -0.210 4.142 4.350 0.003 0.000 0.254 132 E C 0.734 177.340 176.600 0.009 0.000 1.412 132 E CA 1.185 57.589 56.400 0.008 0.000 0.992 132 E CB -1.537 28.168 29.700 0.009 0.000 0.987 132 E HN 0.815 nan 8.360 nan 0.000 0.617 133 A N -0.116 122.708 122.820 0.008 0.000 2.371 133 A HA 0.376 4.698 4.320 0.003 0.000 0.257 133 A C 0.196 177.786 177.584 0.010 0.000 1.089 133 A CA -0.545 51.497 52.037 0.008 0.000 0.794 133 A CB 0.882 19.885 19.000 0.006 0.000 1.029 133 A HN 0.033 nan 8.150 nan 0.000 0.488 134 V N 3.353 123.273 119.914 0.010 0.000 2.498 134 V HA 0.181 4.303 4.120 0.003 0.000 0.279 134 V C 0.256 176.356 176.094 0.010 0.000 1.048 134 V CA -0.108 62.201 62.300 0.014 0.000 0.967 134 V CB 0.909 32.738 31.823 0.010 0.000 0.988 134 V HN 0.677 nan 8.190 nan 0.000 0.473 135 L N 5.651 126.885 121.223 0.019 0.000 2.276 135 L HA 0.439 4.781 4.340 0.003 0.000 0.286 135 L C -0.486 176.396 176.870 0.020 0.000 1.061 135 L CA -0.460 54.389 54.840 0.014 0.000 0.807 135 L CB 1.304 43.376 42.059 0.022 0.000 1.177 135 L HN 0.457 nan 8.230 nan 0.000 0.429 136 L N 5.331 126.558 121.223 0.008 0.000 2.316 136 L HA 0.463 4.805 4.340 0.003 0.000 0.280 136 L C -0.490 176.397 176.870 0.028 0.000 1.006 136 L CA -0.244 54.601 54.840 0.009 0.000 0.836 136 L CB 1.662 43.712 42.059 -0.015 0.000 1.221 136 L HN 0.205 nan 8.230 nan 0.000 0.418 137 V N 5.580 125.531 119.914 0.062 0.000 2.439 137 V HA 0.646 4.767 4.120 0.003 0.000 0.282 137 V C 0.809 176.955 176.094 0.088 0.000 1.039 137 V CA 0.366 62.742 62.300 0.126 0.000 0.913 137 V CB 0.924 32.867 31.823 0.199 0.000 0.983 137 V HN 0.952 nan 8.190 nan 0.000 0.460 138 A N 3.046 125.931 122.820 0.109 0.000 2.138 138 A HA 0.237 4.559 4.320 0.003 0.000 0.203 138 A C 1.134 178.772 177.584 0.090 0.000 1.286 138 A CA 0.137 52.212 52.037 0.063 0.000 0.929 138 A CB -0.006 19.020 19.000 0.042 0.000 0.975 138 A HN 0.649 nan 8.150 nan 0.000 0.480 139 T N 2.503 117.155 114.554 0.164 0.000 2.905 139 T HA 0.063 4.415 4.350 0.003 0.000 0.299 139 T C 0.096 174.817 174.700 0.036 0.000 1.024 139 T CA 0.508 62.688 62.100 0.134 0.000 1.151 139 T CB -0.279 68.744 68.868 0.257 0.000 0.987 139 T HN 0.477 nan 8.240 nan 0.000 0.535 140 N N 3.568 122.290 118.700 0.036 0.000 2.515 140 N HA 0.325 5.066 4.740 0.003 0.000 0.279 140 N C -2.429 173.060 175.510 -0.035 0.000 1.164 140 N CA -1.577 51.491 53.050 0.030 0.000 0.982 140 N CB 0.648 39.176 38.487 0.068 0.000 1.170 140 N HN 0.383 nan 8.380 nan 0.000 0.474 141 P HA -0.007 nan 4.420 nan 0.000 0.276 141 P C 0.538 177.839 177.300 0.003 0.000 1.253 141 P CA -0.034 63.068 63.100 0.003 0.000 0.766 141 P CB 1.311 33.004 31.700 -0.011 0.000 0.845 142 V N 3.209 123.171 119.914 0.080 0.000 2.626 142 V HA -0.178 3.943 4.120 0.003 0.000 0.252 142 V C 1.526 177.637 176.094 0.028 0.000 1.067 142 V CA 1.969 64.299 62.300 0.049 0.000 1.081 142 V CB -0.631 31.229 31.823 0.062 0.000 0.686 142 V HN 0.416 nan 8.190 nan 0.000 0.468 143 D N -0.065 120.364 120.400 0.048 0.000 2.084 143 D HA -0.122 4.520 4.640 0.003 0.000 0.196 143 D C 2.159 178.469 176.300 0.017 0.000 0.985 143 D CA 1.820 55.843 54.000 0.038 0.000 0.826 143 D CB -0.285 40.543 40.800 0.048 0.000 0.978 143 D HN 0.442 nan 8.370 nan 0.000 0.456 144 V N 1.369 121.279 119.914 -0.008 0.000 2.427 144 V HA -0.198 3.924 4.120 0.003 0.000 0.248 144 V C 2.410 178.426 176.094 -0.130 0.000 1.051 144 V CA 1.049 63.328 62.300 -0.035 0.000 1.048 144 V CB -0.327 31.472 31.823 -0.040 0.000 0.666 144 V HN 0.174 nan 8.190 nan 0.000 0.456 145 M N -0.238 119.247 119.600 -0.191 0.000 2.254 145 M HA -0.085 4.397 4.480 0.003 0.000 0.265 145 M C 2.237 178.431 176.300 -0.176 0.000 1.066 145 M CA 1.538 56.609 55.300 -0.382 0.000 1.123 145 M CB -1.605 30.680 32.600 -0.527 0.000 1.388 145 M HN 0.370 nan 8.290 nan 0.000 0.425 146 T N 0.115 114.656 114.554 -0.023 0.000 2.821 146 T HA -0.193 4.159 4.350 0.003 0.000 0.267 146 T C 1.834 176.601 174.700 0.113 0.000 1.046 146 T CA 1.454 63.603 62.100 0.081 0.000 1.139 146 T CB -0.121 68.792 68.868 0.075 0.000 0.871 146 T HN 0.437 nan 8.240 nan 0.000 0.454 147 Q N 0.397 120.249 119.800 0.086 0.000 2.119 147 Q HA -0.080 4.262 4.340 0.003 0.000 0.201 147 Q C 2.272 178.323 176.000 0.086 0.000 0.972 147 Q CA 1.102 57.008 55.803 0.172 0.000 0.847 147 Q CB -0.170 28.686 28.738 0.195 0.000 0.903 147 Q HN 0.330 nan 8.270 nan 0.000 0.433 148 V N 0.879 120.684 119.914 -0.182 0.000 2.295 148 V HA -0.289 3.833 4.120 0.003 0.000 0.246 148 V C 2.351 178.367 176.094 -0.131 0.000 1.049 148 V CA 1.812 63.792 62.300 -0.533 0.000 1.024 148 V CB -1.168 30.128 31.823 -0.880 0.000 0.648 148 V HN 0.542 nan 8.190 nan 0.000 0.447 149 A N -0.783 122.079 122.820 0.071 0.000 1.908 149 A HA -0.296 4.026 4.320 0.003 0.000 0.218 149 A C 2.181 179.840 177.584 0.124 0.000 1.181 149 A CA 2.289 54.447 52.037 0.201 0.000 0.627 149 A CB -0.801 18.377 19.000 0.296 0.000 0.818 149 A HN 0.671 nan 8.150 nan 0.000 0.445 150 Y N 0.498 120.808 120.300 0.017 0.000 2.145 150 Y HA -0.180 4.371 4.550 0.003 0.000 0.286 150 Y C 2.426 178.294 175.900 -0.053 0.000 1.145 150 Y CA 1.948 60.032 58.100 -0.027 0.000 1.148 150 Y CB -0.189 38.237 38.460 -0.057 0.000 0.981 150 Y HN 0.168 nan 8.280 nan 0.000 0.507 151 R N -0.111 120.289 120.500 -0.166 0.000 2.096 151 R HA -0.112 4.230 4.340 0.003 0.000 0.235 151 R C 2.065 178.288 176.300 -0.128 0.000 1.127 151 R CA 1.187 57.169 56.100 -0.197 0.000 0.968 151 R CB -1.110 29.315 30.300 0.208 0.000 0.861 151 R HN 0.372 nan 8.270 nan 0.000 0.440 152 L N 0.830 122.046 121.223 -0.012 0.000 2.156 152 L HA -0.064 4.278 4.340 0.003 0.000 0.208 152 L C 2.431 179.263 176.870 -0.063 0.000 1.095 152 L CA 1.648 56.490 54.840 0.003 0.000 0.770 152 L CB -0.770 41.323 42.059 0.057 0.000 0.914 152 L HN 0.202 nan 8.230 nan 0.000 0.439 153 S N -0.873 114.769 115.700 -0.096 0.000 2.387 153 S HA 0.056 4.528 4.470 0.003 0.000 0.226 153 S C 1.784 176.317 174.600 -0.112 0.000 1.026 153 S CA 0.564 58.715 58.200 -0.083 0.000 0.972 153 S CB -0.695 62.478 63.200 -0.046 0.000 0.814 153 S HN 0.462 nan 8.310 nan 0.000 0.477 154 G N 1.156 109.837 108.800 -0.199 0.000 2.179 154 G HA2 -0.227 3.735 3.960 0.003 0.000 0.257 154 G HA3 -0.227 3.735 3.960 0.003 0.000 0.257 154 G C -0.083 174.751 174.900 -0.111 0.000 1.010 154 G CA 0.676 45.669 45.100 -0.178 0.000 0.736 154 G HN 0.567 nan 8.290 nan 0.000 0.513 155 L N -0.301 120.872 121.223 -0.083 0.000 2.365 155 L HA 0.558 4.900 4.340 0.003 0.000 0.267 155 L C -1.682 175.248 176.870 0.100 0.000 1.033 155 L CA -2.619 52.228 54.840 0.013 0.000 0.802 155 L CB 0.865 42.948 42.059 0.039 0.000 1.267 155 L HN -0.153 nan 8.230 nan 0.000 0.457 156 P HA 0.029 nan 4.420 nan 0.000 0.267 156 P C -2.079 175.376 177.300 0.258 0.000 1.200 156 P CA -0.899 62.310 63.100 0.183 0.000 0.772 156 P CB -0.001 31.767 31.700 0.114 0.000 0.855 157 P HA -0.126 nan 4.420 nan 0.000 0.220 157 P C 1.392 178.745 177.300 0.088 0.000 1.148 157 P CA 1.539 64.717 63.100 0.130 0.000 0.803 157 P CB -0.358 31.324 31.700 -0.029 0.000 0.782 158 G N 0.141 108.994 108.800 0.088 0.000 2.509 158 G HA2 -0.179 3.783 3.960 0.003 0.000 0.218 158 G HA3 -0.179 3.783 3.960 0.003 0.000 0.218 158 G C 1.693 176.631 174.900 0.062 0.000 1.124 158 G CA 0.096 45.231 45.100 0.058 0.000 0.776 158 G HN 0.188 nan 8.290 nan 0.000 0.547 159 R N -0.385 120.167 120.500 0.087 0.000 2.276 159 R HA 0.121 4.463 4.340 0.003 0.000 0.196 159 R C -0.081 176.266 176.300 0.079 0.000 0.961 159 R CA 0.181 56.325 56.100 0.074 0.000 1.024 159 R CB 0.349 30.694 30.300 0.074 0.000 0.940 159 R HN 0.257 nan 8.270 nan 0.000 0.480 160 V N 2.082 122.061 119.914 0.110 0.000 2.326 160 V HA 0.289 4.411 4.120 0.003 0.000 0.281 160 V C -0.175 175.970 176.094 0.085 0.000 1.015 160 V CA -0.720 61.649 62.300 0.114 0.000 0.823 160 V CB 1.899 33.838 31.823 0.194 0.000 1.009 160 V HN -0.249 nan 8.190 nan 0.000 0.436 161 V N 3.620 123.568 119.914 0.057 0.000 2.495 161 V HA 0.789 4.911 4.120 0.003 0.000 0.298 161 V C 0.735 176.848 176.094 0.031 0.000 1.031 161 V CA -0.393 61.926 62.300 0.031 0.000 0.871 161 V CB 1.882 33.709 31.823 0.006 0.000 0.988 161 V HN 0.868 nan 8.190 nan 0.000 0.432 162 G N 1.698 110.512 108.800 0.024 0.000 2.371 162 G HA2 0.446 4.408 3.960 0.003 0.000 0.326 162 G HA3 0.446 4.408 3.960 0.003 0.000 0.326 162 G C 0.972 175.860 174.900 -0.019 0.000 1.127 162 G CA 0.274 45.385 45.100 0.017 0.000 0.885 162 G HN 0.896 nan 8.290 nan 0.000 0.477 163 S N 1.583 117.259 115.700 -0.039 0.000 2.383 163 S HA 0.063 4.535 4.470 0.003 0.000 0.229 163 S C 2.079 176.619 174.600 -0.100 0.000 1.030 163 S CA 1.356 59.509 58.200 -0.079 0.000 1.002 163 S CB -0.849 62.290 63.200 -0.102 0.000 0.829 163 S HN 2.337 nan 8.310 nan 0.000 0.467 164 G N 1.482 110.218 108.800 -0.106 0.000 2.622 164 G HA2 -0.409 3.552 3.960 0.003 0.000 0.307 164 G HA3 -0.409 3.552 3.960 0.003 0.000 0.307 164 G C 0.789 175.624 174.900 -0.107 0.000 1.226 164 G CA 1.736 46.797 45.100 -0.066 0.000 0.997 164 G HN 1.411 nan 8.290 nan 0.000 0.551 165 T N -0.502 114.047 114.554 -0.008 0.000 3.188 165 T HA 0.482 4.834 4.350 0.003 0.000 0.250 165 T C 2.184 176.907 174.700 0.039 0.000 1.077 165 T CA 0.881 63.008 62.100 0.047 0.000 0.967 165 T CB 0.241 69.153 68.868 0.073 0.000 1.006 165 T HN 0.670 nan 8.240 nan 0.000 0.552 166 I N 0.317 120.887 120.570 0.000 0.000 2.264 166 I HA -0.126 4.046 4.170 0.003 0.000 0.248 166 I C 1.966 178.112 176.117 0.050 0.000 1.111 166 I CA 1.233 62.560 61.300 0.046 0.000 1.382 166 I CB -0.037 37.970 38.000 0.013 0.000 1.060 166 I HN 0.312 nan 8.210 nan 0.000 0.418 167 L N 0.729 121.954 121.223 0.003 0.000 2.179 167 L HA -0.148 4.193 4.340 0.003 0.000 0.208 167 L C 2.020 178.941 176.870 0.085 0.000 1.096 167 L CA 1.761 56.622 54.840 0.035 0.000 0.779 167 L CB -0.768 41.296 42.059 0.009 0.000 0.922 167 L HN 0.232 nan 8.230 nan 0.000 0.443 168 D N -1.284 119.182 120.400 0.110 0.000 2.117 168 D HA -0.164 4.477 4.640 0.003 0.000 0.198 168 D C 1.778 178.156 176.300 0.130 0.000 0.982 168 D CA 1.810 55.883 54.000 0.121 0.000 0.828 168 D CB -0.033 40.844 40.800 0.128 0.000 0.967 168 D HN 0.360 nan 8.370 nan 0.000 0.464 169 T N 1.353 115.994 114.554 0.146 0.000 2.684 169 T HA -0.137 4.215 4.350 0.003 0.000 0.267 169 T C 2.155 176.938 174.700 0.138 0.000 1.036 169 T CA 1.495 63.707 62.100 0.188 0.000 1.148 169 T CB -0.248 68.752 68.868 0.221 0.000 0.863 169 T HN 0.194 nan 8.240 nan 0.000 0.436 170 A N 1.497 124.382 122.820 0.108 0.000 1.933 170 A HA -0.111 4.211 4.320 0.003 0.000 0.218 170 A C 2.370 179.997 177.584 0.072 0.000 1.175 170 A CA 1.472 53.553 52.037 0.072 0.000 0.628 170 A CB -0.468 18.573 19.000 0.068 0.000 0.814 170 A HN 0.413 nan 8.150 nan 0.000 0.444 171 R N -1.903 118.655 120.500 0.098 0.000 2.066 171 R HA -0.077 4.265 4.340 0.003 0.000 0.232 171 R C 2.010 178.401 176.300 0.152 0.000 1.131 171 R CA 1.437 57.598 56.100 0.101 0.000 0.955 171 R CB -0.471 29.884 30.300 0.092 0.000 0.851 171 R HN 0.530 nan 8.270 nan 0.000 0.432 172 F N 2.050 121.970 119.950 -0.050 0.000 2.095 172 F HA -0.160 4.369 4.527 0.003 0.000 0.298 172 F C 2.005 177.733 175.800 -0.121 0.000 1.104 172 F CA 1.529 59.461 58.000 -0.113 0.000 1.232 172 F CB -0.325 38.571 39.000 -0.173 0.000 0.987 172 F HN -0.123 nan 8.300 nan 0.000 0.475 173 R N -0.064 120.402 120.500 -0.056 0.000 2.073 173 R HA -0.115 4.227 4.340 0.003 0.000 0.234 173 R C 2.425 178.666 176.300 -0.098 0.000 1.134 173 R CA 1.424 57.407 56.100 -0.194 0.000 0.952 173 R CB -0.897 29.303 30.300 -0.167 0.000 0.850 173 R HN 0.323 nan 8.270 nan 0.000 0.433 174 A N 1.072 123.881 122.820 -0.017 0.000 1.933 174 A HA -0.114 4.207 4.320 0.003 0.000 0.218 174 A C 2.153 179.758 177.584 0.034 0.000 1.175 174 A CA 1.153 53.193 52.037 0.005 0.000 0.628 174 A CB -0.428 18.588 19.000 0.026 0.000 0.814 174 A HN 0.182 nan 8.150 nan 0.000 0.444 175 L N -0.889 120.376 121.223 0.071 0.000 2.131 175 L HA -0.072 4.270 4.340 0.003 0.000 0.206 175 L C 2.444 179.389 176.870 0.125 0.000 1.087 175 L CA 0.648 55.555 54.840 0.111 0.000 0.767 175 L CB -0.375 41.774 42.059 0.149 0.000 0.917 175 L HN 0.360 nan 8.230 nan 0.000 0.441 176 L N -0.521 120.737 121.223 0.057 0.000 2.093 176 L HA -0.169 4.173 4.340 0.003 0.000 0.208 176 L C 2.867 179.782 176.870 0.076 0.000 1.085 176 L CA 0.980 55.851 54.840 0.051 0.000 0.755 176 L CB -0.709 41.243 42.059 -0.179 0.000 0.904 176 L HN 0.227 nan 8.230 nan 0.000 0.435 177 A N 0.164 122.982 122.820 -0.002 0.000 1.865 177 A HA -0.246 4.075 4.320 0.003 0.000 0.217 177 A C 2.188 179.803 177.584 0.052 0.000 1.191 177 A CA 1.854 53.888 52.037 -0.006 0.000 0.623 177 A CB -0.489 18.489 19.000 -0.038 0.000 0.826 177 A HN 0.445 nan 8.150 nan 0.000 0.444 178 E N -1.803 118.443 120.200 0.078 0.000 2.077 178 E HA -0.222 4.130 4.350 0.003 0.000 0.193 178 E C 1.932 178.612 176.600 0.133 0.000 0.989 178 E CA 1.523 57.977 56.400 0.091 0.000 0.800 178 E CB -0.331 29.427 29.700 0.096 0.000 0.746 178 E HN 0.778 nan 8.360 nan 0.000 0.452 179 Y N 1.120 121.452 120.300 0.052 0.000 2.181 179 Y HA -0.155 4.396 4.550 0.003 0.000 0.288 179 Y C 1.817 177.762 175.900 0.074 0.000 1.146 179 Y CA 1.357 59.499 58.100 0.070 0.000 1.164 179 Y CB 0.006 38.525 38.460 0.099 0.000 0.982 179 Y HN -0.062 nan 8.280 nan 0.000 0.515 180 L N -0.612 120.669 121.223 0.096 0.000 2.446 180 L HA 0.073 4.415 4.340 0.003 0.000 0.219 180 L C 0.956 177.850 176.870 0.040 0.000 1.116 180 L CA 0.473 55.345 54.840 0.054 0.000 0.844 180 L CB -0.083 42.108 42.059 0.220 0.000 0.970 180 L HN 0.012 nan 8.230 nan 0.000 0.457 181 R N 0.692 121.211 120.500 0.031 0.000 3.336 181 R HA -0.149 4.193 4.340 0.003 0.000 0.260 181 R C -0.833 175.492 176.300 0.042 0.000 1.032 181 R CA 0.777 56.891 56.100 0.024 0.000 0.693 181 R CB -1.881 28.419 30.300 0.001 0.000 1.134 181 R HN 0.294 nan 8.270 nan 0.000 0.433 182 V N -2.712 117.226 119.914 0.040 0.000 3.126 182 V HA 0.970 5.092 4.120 0.003 0.000 0.314 182 V C 0.371 176.446 176.094 -0.031 0.000 1.138 182 V CA -0.844 61.468 62.300 0.020 0.000 1.034 182 V CB 2.165 34.003 31.823 0.026 0.000 1.075 182 V HN 0.392 nan 8.190 nan 0.000 0.442 183 A N 2.723 125.515 122.820 -0.046 0.000 2.488 183 A HA 0.533 4.855 4.320 0.003 0.000 0.249 183 A C -0.942 176.573 177.584 -0.115 0.000 1.083 183 A CA -0.721 51.279 52.037 -0.062 0.000 0.768 183 A CB -0.240 18.730 19.000 -0.050 0.000 1.017 183 A HN 0.872 nan 8.150 nan 0.000 0.496 184 P HA -0.190 nan 4.420 nan 0.000 0.219 184 P C 0.812 177.998 177.300 -0.190 0.000 1.146 184 P CA 1.236 64.249 63.100 -0.144 0.000 0.808 184 P CB 0.209 31.857 31.700 -0.087 0.000 0.779 185 Q N -0.483 119.237 119.800 -0.132 0.000 2.364 185 Q HA -0.027 4.315 4.340 0.003 0.000 0.209 185 Q C 2.085 177.971 176.000 -0.190 0.000 0.977 185 Q CA 1.312 57.050 55.803 -0.109 0.000 0.885 185 Q CB -0.719 27.993 28.738 -0.045 0.000 0.941 185 Q HN 0.227 nan 8.270 nan 0.000 0.464 186 S N -1.123 114.404 115.700 -0.289 0.000 2.517 186 S HA 0.124 4.595 4.470 0.003 0.000 0.214 186 S C 0.287 174.401 174.600 -0.811 0.000 0.991 186 S CA -0.228 57.729 58.200 -0.405 0.000 0.906 186 S CB 0.655 63.699 63.200 -0.260 0.000 0.789 186 S HN 0.022 nan 8.310 nan 0.000 0.513 187 V N 3.004 122.479 119.914 -0.732 0.000 2.461 187 V HA 0.253 4.375 4.120 0.003 0.000 0.275 187 V C -0.677 174.888 176.094 -0.882 0.000 1.047 187 V CA -0.341 61.525 62.300 -0.723 0.000 0.955 187 V CB 0.412 31.951 31.823 -0.474 0.000 0.988 187 V HN 0.407 nan 8.190 nan 0.000 0.471 188 H N 3.330 122.182 119.070 -0.363 0.000 2.736 188 H HA 0.743 5.301 4.556 0.003 0.000 0.271 188 H C 0.058 175.058 175.328 -0.547 0.000 1.184 188 H CA 0.037 55.829 56.048 -0.427 0.000 1.378 188 H CB 1.192 30.742 29.762 -0.352 0.000 1.428 188 H HN 0.849 nan 8.280 nan 0.000 0.500 189 A N 2.240 124.724 122.820 -0.560 0.000 2.454 189 A HA 0.691 5.013 4.320 0.003 0.000 0.302 189 A C -1.762 175.568 177.584 -0.424 0.000 1.079 189 A CA -0.691 50.992 52.037 -0.589 0.000 0.731 189 A CB 1.387 19.804 19.000 -0.972 0.000 1.299 189 A HN 0.431 nan 8.150 nan 0.000 0.413 190 Y N -0.156 120.139 120.300 -0.007 0.000 2.485 190 Y HA 0.591 5.143 4.550 0.003 0.000 0.345 190 Y C -0.112 175.868 175.900 0.133 0.000 0.998 190 Y CA -1.197 56.941 58.100 0.062 0.000 1.059 190 Y CB 2.318 40.789 38.460 0.019 0.000 1.234 190 Y HN 0.425 nan 8.280 nan 0.000 0.461 191 V N 4.899 124.985 119.914 0.288 0.000 2.495 191 V HA 0.560 4.682 4.120 0.003 0.000 0.298 191 V C -0.367 175.771 176.094 0.072 0.000 1.031 191 V CA -0.780 61.591 62.300 0.118 0.000 0.871 191 V CB 1.468 33.332 31.823 0.069 0.000 0.988 191 V HN 0.572 nan 8.190 nan 0.000 0.432 192 L N 3.327 124.569 121.223 0.032 0.000 2.283 192 L HA 1.000 5.342 4.340 0.003 0.000 0.259 192 L C 0.899 177.772 176.870 0.005 0.000 1.027 192 L CA -0.110 54.730 54.840 -0.000 0.000 0.828 192 L CB 1.926 43.975 42.059 -0.017 0.000 1.380 192 L HN 0.872 nan 8.230 nan 0.000 0.425 193 G N 0.790 109.589 108.800 -0.003 0.000 2.545 193 G HA2 -0.217 3.745 3.960 0.003 0.000 0.240 193 G HA3 -0.217 3.745 3.960 0.003 0.000 0.240 193 G C -0.447 174.467 174.900 0.022 0.000 1.172 193 G CA -0.031 45.072 45.100 0.006 0.000 0.949 193 G HN 0.773 nan 8.290 nan 0.000 0.574 194 E N 0.870 121.085 120.200 0.024 0.000 2.229 194 E HA 0.342 4.693 4.350 0.003 0.000 0.283 194 E C 0.057 176.696 176.600 0.064 0.000 1.030 194 E CA -0.486 55.937 56.400 0.038 0.000 0.836 194 E CB 0.356 30.064 29.700 0.013 0.000 1.068 194 E HN 0.610 nan 8.360 nan 0.000 0.401 195 H N 4.269 123.339 119.070 -0.001 0.000 4.181 195 H HA 0.196 4.754 4.556 0.003 0.000 0.216 195 H C -0.119 175.212 175.328 0.004 0.000 1.325 195 H CA 1.284 57.334 56.048 0.003 0.000 1.529 195 H CB -0.576 29.191 29.762 0.008 0.000 1.761 195 H HN 0.662 nan 8.280 nan 0.000 0.727 196 G N 2.516 111.192 108.800 -0.207 0.000 2.392 196 G HA2 -0.076 3.886 3.960 0.003 0.000 0.260 196 G HA3 -0.076 3.886 3.960 0.003 0.000 0.260 196 G C -0.100 174.733 174.900 -0.112 0.000 1.226 196 G CA -0.107 44.869 45.100 -0.207 0.000 0.913 196 G HN 0.320 nan 8.290 nan 0.000 0.483 197 D N 0.408 120.760 120.400 -0.080 0.000 2.269 197 D HA 0.000 4.642 4.640 0.003 0.000 0.208 197 D C 2.369 178.644 176.300 -0.042 0.000 0.963 197 D CA 1.676 55.641 54.000 -0.058 0.000 0.864 197 D CB 0.139 40.909 40.800 -0.050 0.000 0.936 197 D HN 0.390 nan 8.370 nan 0.000 0.505 198 S N 0.166 115.846 115.700 -0.033 0.000 2.582 198 S HA 0.027 4.499 4.470 0.003 0.000 0.234 198 S C 0.577 175.168 174.600 -0.014 0.000 0.961 198 S CA -0.670 57.518 58.200 -0.019 0.000 0.953 198 S CB -0.261 62.932 63.200 -0.011 0.000 0.800 198 S HN 0.268 nan 8.310 nan 0.000 0.471 199 E N 0.968 121.155 120.200 -0.022 0.000 2.404 199 E HA 0.285 4.637 4.350 0.003 0.000 0.261 199 E C -0.974 175.614 176.600 -0.020 0.000 1.074 199 E CA -0.644 55.748 56.400 -0.014 0.000 0.917 199 E CB 0.740 30.431 29.700 -0.015 0.000 0.965 199 E HN 0.101 nan 8.360 nan 0.000 0.433 200 V N 3.372 123.279 119.914 -0.013 0.000 2.357 200 V HA 0.146 4.268 4.120 0.003 0.000 0.284 200 V C -0.195 175.873 176.094 -0.043 0.000 1.018 200 V CA -0.854 61.442 62.300 -0.006 0.000 0.841 200 V CB 0.864 32.701 31.823 0.023 0.000 0.991 200 V HN 0.539 nan 8.190 nan 0.000 0.437 201 L N 5.631 126.786 121.223 -0.113 0.000 2.361 201 L HA 0.247 4.588 4.340 0.003 0.000 0.278 201 L C 0.266 177.055 176.870 -0.135 0.000 1.113 201 L CA 0.526 55.163 54.840 -0.338 0.000 0.849 201 L CB 1.333 42.967 42.059 -0.709 0.000 1.155 201 L HN 0.453 nan 8.230 nan 0.000 0.452 202 V N 4.867 124.775 119.914 -0.011 0.000 2.267 202 V HA 0.014 4.136 4.120 0.003 0.000 0.254 202 V C 0.396 176.564 176.094 0.123 0.000 1.144 202 V CA -0.215 62.152 62.300 0.111 0.000 0.992 202 V CB -0.386 31.535 31.823 0.162 0.000 1.199 202 V HN 0.826 nan 8.190 nan 0.000 0.493 203 W N 1.989 123.411 121.300 0.202 0.000 2.453 203 W HA -0.127 4.534 4.660 0.003 0.000 0.289 203 W C 2.688 179.272 176.519 0.107 0.000 1.215 203 W CA 1.196 58.652 57.345 0.184 0.000 1.297 203 W CB -0.368 29.176 29.460 0.139 0.000 1.113 203 W HN 0.665 nan 8.180 nan 0.000 0.551 204 S N 0.290 116.178 115.700 0.314 0.000 2.359 204 S HA -0.251 4.221 4.470 0.003 0.000 0.223 204 S C 1.725 176.412 174.600 0.146 0.000 1.039 204 S CA 1.809 60.128 58.200 0.199 0.000 1.042 204 S CB -1.281 62.010 63.200 0.152 0.000 0.915 204 S HN 0.200 nan 8.310 nan 0.000 0.439 205 S N 1.249 117.023 115.700 0.124 0.000 2.597 205 S HA 0.671 5.143 4.470 0.003 0.000 0.224 205 S C 0.525 175.147 174.600 0.036 0.000 0.955 205 S CA -0.195 58.054 58.200 0.082 0.000 0.933 205 S CB -0.362 62.891 63.200 0.087 0.000 0.788 205 S HN 0.797 nan 8.310 nan 0.000 0.488 206 A N 1.406 124.242 122.820 0.027 0.000 2.462 206 A HA 0.508 4.830 4.320 0.003 0.000 0.243 206 A C 0.228 177.774 177.584 -0.064 0.000 1.076 206 A CA -0.059 51.928 52.037 -0.082 0.000 0.773 206 A CB 0.256 19.172 19.000 -0.138 0.000 1.010 206 A HN 0.629 nan 8.150 nan 0.000 0.493 207 Q N 0.829 120.559 119.800 -0.118 0.000 2.389 207 Q HA 0.517 4.859 4.340 0.003 0.000 0.277 207 Q C -0.359 175.536 176.000 -0.175 0.000 1.082 207 Q CA -0.797 54.958 55.803 -0.080 0.000 0.810 207 Q CB 2.267 30.990 28.738 -0.024 0.000 1.374 207 Q HN 0.458 nan 8.270 nan 0.000 0.422 208 V N 0.272 120.046 119.914 -0.233 0.000 3.473 208 V HA 0.101 4.223 4.120 0.003 0.000 0.253 208 V C -1.766 174.132 176.094 -0.328 0.000 1.340 208 V CA -0.051 61.953 62.300 -0.493 0.000 1.103 208 V CB -0.069 31.094 31.823 -1.100 0.000 0.881 208 V HN 0.578 nan 8.190 nan 0.000 0.451 209 P HA 0.033 nan 4.420 nan 0.000 0.314 209 P C 1.282 178.650 177.300 0.112 0.000 1.376 209 P CA 0.043 63.190 63.100 0.077 0.000 0.821 209 P CB 0.041 31.786 31.700 0.076 0.000 1.691 210 L N -1.318 120.004 121.223 0.165 0.000 3.051 210 L HA -0.367 3.974 4.340 0.003 0.000 0.201 210 L C 2.174 179.124 176.870 0.134 0.000 1.414 210 L CA 2.783 57.711 54.840 0.146 0.000 0.780 210 L CB -1.920 40.201 42.059 0.105 0.000 1.116 210 L HN 0.625 nan 8.230 nan 0.000 0.432 211 E N -2.204 118.071 120.200 0.125 0.000 2.158 211 E HA -0.206 4.145 4.350 0.003 0.000 0.191 211 E C 2.231 178.893 176.600 0.103 0.000 0.982 211 E CA 1.233 57.688 56.400 0.093 0.000 0.823 211 E CB -0.618 29.125 29.700 0.072 0.000 0.766 211 E HN 0.521 nan 8.360 nan 0.000 0.468 212 F N 2.644 122.611 119.950 0.028 0.000 2.095 212 F HA -0.142 4.387 4.527 0.003 0.000 0.298 212 F C 2.472 178.287 175.800 0.025 0.000 1.104 212 F CA 1.713 59.724 58.000 0.019 0.000 1.232 212 F CB -0.363 38.644 39.000 0.011 0.000 0.987 212 F HN 0.091 nan 8.300 nan 0.000 0.475 213 A N 0.067 123.047 122.820 0.268 0.000 1.908 213 A HA -0.238 4.084 4.320 0.003 0.000 0.218 213 A C 2.094 179.692 177.584 0.024 0.000 1.181 213 A CA 2.015 54.166 52.037 0.191 0.000 0.627 213 A CB -0.934 18.233 19.000 0.278 0.000 0.818 213 A HN 0.583 nan 8.150 nan 0.000 0.445 214 E N -0.280 119.932 120.200 0.019 0.000 2.051 214 E HA -0.131 4.221 4.350 0.003 0.000 0.192 214 E C 2.311 178.857 176.600 -0.090 0.000 0.991 214 E CA 1.018 57.405 56.400 -0.021 0.000 0.799 214 E CB -0.342 29.357 29.700 -0.001 0.000 0.748 214 E HN 0.619 nan 8.360 nan 0.000 0.449 215 A N 1.268 123.995 122.820 -0.155 0.000 1.978 215 A HA -0.185 4.137 4.320 0.003 0.000 0.220 215 A C 2.117 179.543 177.584 -0.262 0.000 1.170 215 A CA 1.499 53.405 52.037 -0.219 0.000 0.636 215 A CB -0.324 18.493 19.000 -0.306 0.000 0.810 215 A HN -0.020 nan 8.150 nan 0.000 0.448 216 R N -1.117 119.196 120.500 -0.312 0.000 2.313 216 R HA 0.192 4.534 4.340 0.003 0.000 0.199 216 R C 1.113 177.318 176.300 -0.159 0.000 0.958 216 R CA 0.931 56.871 56.100 -0.266 0.000 1.047 216 R CB -0.385 29.760 30.300 -0.258 0.000 0.955 216 R HN 0.819 nan 8.270 nan 0.000 0.481 217 G N 0.004 108.729 108.800 -0.125 0.000 2.131 217 G HA2 -0.248 3.713 3.960 0.003 0.000 0.223 217 G HA3 -0.248 3.713 3.960 0.003 0.000 0.223 217 G C -0.230 174.622 174.900 -0.080 0.000 0.990 217 G CA 0.016 45.062 45.100 -0.090 0.000 0.671 217 G HN 0.302 nan 8.290 nan 0.000 0.521 218 R N -0.908 119.550 120.500 -0.070 0.000 2.803 218 R HA 0.720 5.062 4.340 0.003 0.000 0.276 218 R C 0.791 177.135 176.300 0.074 0.000 0.978 218 R CA -0.178 55.903 56.100 -0.032 0.000 0.939 218 R CB 1.728 31.918 30.300 -0.184 0.000 1.179 218 R HN 0.400 nan 8.270 nan 0.000 0.472 219 A N 1.800 124.697 122.820 0.129 0.000 2.252 219 A HA 0.204 4.526 4.320 0.003 0.000 0.213 219 A C 0.747 178.410 177.584 0.131 0.000 1.188 219 A CA -0.130 51.971 52.037 0.107 0.000 0.863 219 A CB 0.029 19.069 19.000 0.067 0.000 0.893 219 A HN 0.745 nan 8.150 nan 0.000 0.495 220 L N 1.370 122.733 121.223 0.232 0.000 3.879 220 L HA -0.213 4.129 4.340 0.003 0.000 0.481 220 L C 0.821 177.682 176.870 -0.014 0.000 1.232 220 L CA 0.130 55.031 54.840 0.101 0.000 0.736 220 L CB -2.018 40.094 42.059 0.089 0.000 1.511 220 L HN 0.703 nan 8.230 nan 0.000 0.830 221 S N -0.857 114.848 115.700 0.008 0.000 2.580 221 S HA 0.221 4.693 4.470 0.003 0.000 0.266 221 S C -1.067 173.470 174.600 -0.105 0.000 1.354 221 S CA -0.801 57.378 58.200 -0.035 0.000 1.008 221 S CB 0.918 64.117 63.200 -0.002 0.000 0.898 221 S HN 0.171 nan 8.310 nan 0.000 0.555 222 P HA -0.004 nan 4.420 nan 0.000 0.218 222 P C 1.756 178.979 177.300 -0.127 0.000 1.148 222 P CA 2.122 65.134 63.100 -0.145 0.000 0.822 222 P CB -0.385 31.253 31.700 -0.104 0.000 0.784 223 E N 0.312 120.465 120.200 -0.079 0.000 2.072 223 E HA -0.222 4.129 4.350 0.003 0.000 0.191 223 E C 1.731 178.295 176.600 -0.061 0.000 0.985 223 E CA 1.619 57.987 56.400 -0.054 0.000 0.801 223 E CB -1.685 28.002 29.700 -0.022 0.000 0.750 223 E HN 0.263 nan 8.360 nan 0.000 0.452 224 D N 0.083 120.442 120.400 -0.068 0.000 2.104 224 D HA -0.127 4.515 4.640 0.003 0.000 0.194 224 D C 2.181 178.375 176.300 -0.178 0.000 0.994 224 D CA 1.345 55.277 54.000 -0.113 0.000 0.830 224 D CB -0.305 40.422 40.800 -0.122 0.000 0.959 224 D HN 0.409 nan 8.370 nan 0.000 0.452 225 R N 0.781 121.132 120.500 -0.248 0.000 2.083 225 R HA -0.060 4.282 4.340 0.003 0.000 0.237 225 R C 2.394 178.612 176.300 -0.136 0.000 1.137 225 R CA 1.377 57.258 56.100 -0.364 0.000 0.951 225 R CB -0.388 29.479 30.300 -0.722 0.000 0.851 225 R HN 0.103 nan 8.270 nan 0.000 0.434 226 A N 1.244 123.988 122.820 -0.126 0.000 1.908 226 A HA -0.235 4.087 4.320 0.003 0.000 0.218 226 A C 2.164 179.741 177.584 -0.011 0.000 1.181 226 A CA 1.701 53.703 52.037 -0.058 0.000 0.627 226 A CB -0.517 18.447 19.000 -0.061 0.000 0.818 226 A HN 0.283 nan 8.150 nan 0.000 0.445 227 R N -0.473 120.019 120.500 -0.013 0.000 2.066 227 R HA -0.088 4.254 4.340 0.003 0.000 0.232 227 R C 1.855 178.180 176.300 0.042 0.000 1.131 227 R CA 1.677 57.784 56.100 0.012 0.000 0.955 227 R CB -0.287 30.020 30.300 0.011 0.000 0.851 227 R HN 0.434 nan 8.270 nan 0.000 0.432 228 I N 1.801 122.413 120.570 0.070 0.000 2.226 228 I HA -0.266 3.906 4.170 0.003 0.000 0.245 228 I C 2.227 178.418 176.117 0.122 0.000 1.100 228 I CA 1.453 62.839 61.300 0.144 0.000 1.374 228 I CB -1.418 36.762 38.000 0.301 0.000 1.057 228 I HN 0.420 nan 8.210 nan 0.000 0.413 229 D N 1.415 121.903 120.400 0.146 0.000 2.104 229 D HA -0.238 4.404 4.640 0.003 0.000 0.194 229 D C 2.054 178.356 176.300 0.003 0.000 0.994 229 D CA 2.280 56.317 54.000 0.062 0.000 0.830 229 D CB 0.358 41.216 40.800 0.096 0.000 0.959 229 D HN 0.436 nan 8.370 nan 0.000 0.452 230 E N 0.377 120.585 120.200 0.013 0.000 2.085 230 E HA -0.138 4.214 4.350 0.003 0.000 0.194 230 E C 2.258 178.866 176.600 0.012 0.000 0.994 230 E CA 1.784 58.184 56.400 0.001 0.000 0.801 230 E CB -1.662 28.039 29.700 0.002 0.000 0.743 230 E HN 0.505 nan 8.360 nan 0.000 0.453 231 G N 0.052 108.870 108.800 0.031 0.000 2.442 231 G HA2 -0.122 3.839 3.960 0.003 0.000 0.219 231 G HA3 -0.122 3.839 3.960 0.003 0.000 0.219 231 G C 1.937 176.859 174.900 0.036 0.000 1.141 231 G CA 1.456 46.583 45.100 0.045 0.000 0.763 231 G HN 0.482 nan 8.290 nan 0.000 0.554 232 V N 0.116 120.035 119.914 0.007 0.000 2.346 232 V HA 0.002 4.124 4.120 0.003 0.000 0.244 232 V C 2.696 178.781 176.094 -0.016 0.000 1.037 232 V CA 1.739 64.031 62.300 -0.013 0.000 1.029 232 V CB -0.418 31.338 31.823 -0.112 0.000 0.663 232 V HN 0.309 nan 8.190 nan 0.000 0.454 233 R N 0.060 120.539 120.500 -0.035 0.000 2.092 233 R HA -0.066 4.276 4.340 0.003 0.000 0.231 233 R C 1.893 178.182 176.300 -0.019 0.000 1.119 233 R CA 1.016 57.093 56.100 -0.038 0.000 0.970 233 R CB 0.084 30.356 30.300 -0.047 0.000 0.864 233 R HN 0.297 nan 8.270 nan 0.000 0.440 234 R N -0.460 120.040 120.500 0.001 0.000 2.427 234 R HA 0.211 4.553 4.340 0.003 0.000 0.262 234 R C 1.308 177.668 176.300 0.101 0.000 0.943 234 R CA 0.474 56.595 56.100 0.034 0.000 1.081 234 R CB 0.442 30.741 30.300 -0.001 0.000 1.166 234 R HN 0.188 nan 8.270 nan 0.000 0.534 235 A N 1.517 124.379 122.820 0.071 0.000 1.865 235 A HA -0.149 4.173 4.320 0.003 0.000 0.217 235 A C 2.314 179.949 177.584 0.085 0.000 1.191 235 A CA 2.002 54.086 52.037 0.077 0.000 0.623 235 A CB -0.471 18.567 19.000 0.064 0.000 0.826 235 A HN 0.312 nan 8.150 nan 0.000 0.444 236 A N -1.595 121.275 122.820 0.084 0.000 1.902 236 A HA -0.132 4.190 4.320 0.003 0.000 0.217 236 A C 2.150 179.781 177.584 0.078 0.000 1.181 236 A CA 1.744 53.825 52.037 0.073 0.000 0.623 236 A CB -0.920 18.121 19.000 0.067 0.000 0.818 236 A HN 0.802 nan 8.150 nan 0.000 0.443 237 Y N 0.645 120.944 120.300 -0.003 0.000 2.114 237 Y HA -0.278 4.275 4.550 0.005 0.000 0.282 237 Y C 2.539 178.441 175.900 0.004 0.000 1.165 237 Y CA 2.323 60.422 58.100 -0.002 0.000 1.148 237 Y CB -0.246 38.210 38.460 -0.006 0.000 0.972 237 Y HN 0.247 nan 8.280 nan 0.000 0.504 238 R N -0.019 120.556 120.500 0.126 0.000 2.081 238 R HA -0.142 4.200 4.340 0.003 0.000 0.235 238 R C 2.278 178.541 176.300 -0.062 0.000 1.131 238 R CA 1.983 58.101 56.100 0.030 0.000 0.960 238 R CB -0.495 29.872 30.300 0.111 0.000 0.856 238 R HN 0.434 nan 8.270 nan 0.000 0.436 239 I N 0.590 121.140 120.570 -0.033 0.000 2.252 239 I HA -0.260 3.912 4.170 0.003 0.000 0.245 239 I C 2.316 178.386 176.117 -0.077 0.000 1.102 239 I CA 1.241 62.513 61.300 -0.047 0.000 1.385 239 I CB -0.251 37.728 38.000 -0.036 0.000 1.064 239 I HN 0.103 nan 8.210 nan 0.000 0.414 240 I N 0.587 121.099 120.570 -0.096 0.000 2.163 240 I HA -0.278 3.894 4.170 0.003 0.000 0.243 240 I C 2.464 178.493 176.117 -0.148 0.000 1.085 240 I CA 1.346 62.584 61.300 -0.104 0.000 1.347 240 I CB -0.405 37.532 38.000 -0.106 0.000 1.044 240 I HN 0.237 nan 8.210 nan 0.000 0.408 241 E N 0.629 120.672 120.200 -0.262 0.000 2.268 241 E HA -0.125 4.227 4.350 0.003 0.000 0.195 241 E C 2.113 178.637 176.600 -0.127 0.000 0.995 241 E CA 1.192 57.443 56.400 -0.248 0.000 0.836 241 E CB -0.269 29.188 29.700 -0.404 0.000 0.763 241 E HN 0.602 nan 8.360 nan 0.000 0.491 242 G N 1.325 110.068 108.800 -0.096 0.000 2.545 242 G HA2 -0.136 3.825 3.960 0.003 0.000 0.212 242 G HA3 -0.136 3.825 3.960 0.003 0.000 0.212 242 G C 1.371 176.255 174.900 -0.027 0.000 1.144 242 G CA 0.582 45.653 45.100 -0.048 0.000 0.813 242 G HN 0.305 nan 8.290 nan 0.000 0.531 243 K N -1.849 118.535 120.400 -0.027 0.000 2.585 243 K HA 0.419 4.741 4.320 0.003 0.000 0.210 243 K C 1.243 177.855 176.600 0.020 0.000 1.294 243 K CA 0.718 57.008 56.287 0.004 0.000 1.025 243 K CB 0.622 33.128 32.500 0.009 0.000 1.076 243 K HN 0.467 nan 8.250 nan 0.000 0.613 244 G N 0.573 109.369 108.800 -0.006 0.000 2.258 244 G HA2 -0.148 3.814 3.960 0.003 0.000 0.233 244 G HA3 -0.148 3.814 3.960 0.003 0.000 0.233 244 G C 0.178 175.094 174.900 0.026 0.000 1.006 244 G CA -0.063 45.041 45.100 0.005 0.000 0.620 244 G HN 0.938 nan 8.290 nan 0.000 0.511 245 A N -1.329 121.524 122.820 0.055 0.000 2.586 245 A HA 0.918 5.240 4.320 0.003 0.000 0.291 245 A C -0.224 177.388 177.584 0.046 0.000 1.062 245 A CA 0.827 52.918 52.037 0.089 0.000 0.666 245 A CB 0.709 19.805 19.000 0.159 0.000 1.281 245 A HN 1.936 nan 8.150 nan 0.000 0.421 246 T N -1.226 113.351 114.554 0.037 0.000 2.824 246 T HA 0.686 5.038 4.350 0.003 0.000 0.280 246 T C -0.036 174.671 174.700 0.012 0.000 0.995 246 T CA 0.395 62.441 62.100 -0.091 0.000 1.009 246 T CB 0.844 69.697 68.868 -0.025 0.000 0.955 246 T HN 1.663 nan 8.240 nan 0.000 0.452 247 Y N 0.031 120.259 120.300 -0.120 0.000 2.463 247 Y HA 0.305 4.856 4.550 0.001 0.000 0.288 247 Y C 1.345 177.202 175.900 -0.072 0.000 1.041 247 Y CA -0.751 57.267 58.100 -0.136 0.000 1.054 247 Y CB -0.313 38.011 38.460 -0.227 0.000 1.380 247 Y HN 0.500 nan 8.280 nan 0.000 0.581 248 Y N 2.341 122.569 120.300 -0.119 0.000 2.163 248 Y HA 0.071 4.622 4.550 0.001 0.000 0.288 248 Y C 2.660 178.568 175.900 0.014 0.000 1.136 248 Y CA 1.535 59.636 58.100 0.001 0.000 1.147 248 Y CB -0.983 37.429 38.460 -0.080 0.000 0.987 248 Y HN 0.326 nan 8.280 nan 0.000 0.509 249 G N -0.176 108.707 108.800 0.138 0.000 2.459 249 G HA2 -0.283 3.679 3.960 0.003 0.000 0.217 249 G HA3 -0.283 3.679 3.960 0.003 0.000 0.217 249 G C 1.720 176.665 174.900 0.075 0.000 1.183 249 G CA 1.222 46.376 45.100 0.090 0.000 0.776 249 G HN 0.381 nan 8.290 nan 0.000 0.552 250 I N 1.659 122.268 120.570 0.066 0.000 2.439 250 I HA 0.128 4.300 4.170 0.003 0.000 0.251 250 I C 2.703 178.853 176.117 0.055 0.000 1.139 250 I CA 1.319 62.645 61.300 0.042 0.000 1.438 250 I CB -0.638 37.382 38.000 0.033 0.000 1.085 250 I HN 0.094 nan 8.210 nan 0.000 0.427 251 G N 0.240 109.100 108.800 0.100 0.000 2.476 251 G HA2 -0.304 3.658 3.960 0.003 0.000 0.218 251 G HA3 -0.304 3.658 3.960 0.003 0.000 0.218 251 G C 1.728 176.678 174.900 0.083 0.000 1.164 251 G CA 0.862 46.029 45.100 0.111 0.000 0.768 251 G HN 0.579 nan 8.290 nan 0.000 0.560 252 A N 0.685 123.558 122.820 0.088 0.000 1.897 252 A HA 0.238 4.560 4.320 0.003 0.000 0.215 252 A C 2.717 180.313 177.584 0.020 0.000 1.181 252 A CA 1.931 54.000 52.037 0.053 0.000 0.620 252 A CB -0.985 18.049 19.000 0.057 0.000 0.821 252 A HN 0.537 nan 8.150 nan 0.000 0.443 253 G N -0.120 108.690 108.800 0.018 0.000 2.422 253 G HA2 -0.138 3.824 3.960 0.003 0.000 0.218 253 G HA3 -0.138 3.824 3.960 0.003 0.000 0.218 253 G C 1.527 176.393 174.900 -0.057 0.000 1.146 253 G CA 1.069 46.161 45.100 -0.014 0.000 0.769 253 G HN 0.432 nan 8.290 nan 0.000 0.547 254 L N 0.503 121.704 121.223 -0.037 0.000 2.109 254 L HA 0.076 4.418 4.340 0.003 0.000 0.207 254 L C 3.353 180.189 176.870 -0.056 0.000 1.086 254 L CA 0.802 55.612 54.840 -0.051 0.000 0.760 254 L CB -0.359 41.686 42.059 -0.023 0.000 0.910 254 L HN 0.269 nan 8.230 nan 0.000 0.437 255 A N 0.237 123.038 122.820 -0.032 0.000 1.933 255 A HA -0.248 4.074 4.320 0.003 0.000 0.218 255 A C 2.368 179.917 177.584 -0.059 0.000 1.175 255 A CA 1.844 53.861 52.037 -0.033 0.000 0.628 255 A CB -0.445 18.547 19.000 -0.013 0.000 0.814 255 A HN 0.276 nan 8.150 nan 0.000 0.444 256 R N -0.156 120.299 120.500 -0.074 0.000 2.073 256 R HA 0.074 4.416 4.340 0.003 0.000 0.229 256 R C 1.918 178.090 176.300 -0.213 0.000 1.120 256 R CA 1.358 57.398 56.100 -0.101 0.000 0.967 256 R CB -0.638 29.618 30.300 -0.072 0.000 0.862 256 R HN 0.507 nan 8.270 nan 0.000 0.436 257 L N -0.469 120.587 121.223 -0.280 0.000 2.046 257 L HA -0.148 4.194 4.340 0.003 0.000 0.208 257 L C 2.243 179.005 176.870 -0.180 0.000 1.077 257 L CA 0.959 55.596 54.840 -0.338 0.000 0.747 257 L CB -0.468 41.424 42.059 -0.279 0.000 0.896 257 L HN 0.055 nan 8.230 nan 0.000 0.432 258 V N 0.000 119.845 119.914 -0.115 0.000 2.332 258 V HA -0.327 3.795 4.120 0.003 0.000 0.248 258 V C 2.705 178.762 176.094 -0.060 0.000 1.055 258 V CA 2.041 64.299 62.300 -0.070 0.000 1.038 258 V CB -0.622 31.172 31.823 -0.049 0.000 0.651 258 V HN 0.455 nan 8.190 nan 0.000 0.450 259 R N 0.122 120.583 120.500 -0.065 0.000 2.081 259 R HA -0.167 4.175 4.340 0.003 0.000 0.235 259 R C 2.314 178.596 176.300 -0.030 0.000 1.131 259 R CA 1.695 57.768 56.100 -0.044 0.000 0.960 259 R CB -0.520 29.758 30.300 -0.038 0.000 0.856 259 R HN 0.481 nan 8.270 nan 0.000 0.436 260 A N 0.900 123.690 122.820 -0.050 0.000 1.908 260 A HA -0.176 4.146 4.320 0.003 0.000 0.218 260 A C 2.147 179.733 177.584 0.003 0.000 1.181 260 A CA 1.661 53.699 52.037 0.002 0.000 0.627 260 A CB -0.532 18.445 19.000 -0.038 0.000 0.818 260 A HN 0.396 nan 8.150 nan 0.000 0.445 261 I N -1.240 119.313 120.570 -0.027 0.000 2.202 261 I HA -0.195 3.977 4.170 0.003 0.000 0.242 261 I C 2.191 178.304 176.117 -0.006 0.000 1.091 261 I CA 0.833 62.125 61.300 -0.013 0.000 1.368 261 I CB -0.255 37.731 38.000 -0.023 0.000 1.058 261 I HN 0.210 nan 8.210 nan 0.000 0.410 262 L N 0.391 121.606 121.223 -0.012 0.000 2.201 262 L HA -0.147 4.195 4.340 0.003 0.000 0.212 262 L C 2.476 179.343 176.870 -0.005 0.000 1.105 262 L CA 2.020 56.855 54.840 -0.009 0.000 0.775 262 L CB -0.960 41.090 42.059 -0.015 0.000 0.913 262 L HN 0.409 nan 8.230 nan 0.000 0.440 263 T N -5.493 109.059 114.554 -0.002 0.000 3.086 263 T HA 0.089 4.441 4.350 0.003 0.000 0.250 263 T C 0.683 175.389 174.700 0.010 0.000 1.074 263 T CA 0.165 62.266 62.100 0.001 0.000 0.988 263 T CB -0.206 68.663 68.868 0.001 0.000 0.988 263 T HN 0.191 nan 8.240 nan 0.000 0.530 264 D N 1.830 122.238 120.400 0.013 0.000 2.697 264 D HA -0.193 4.449 4.640 0.003 0.000 0.238 264 D C 0.753 177.069 176.300 0.026 0.000 1.152 264 D CA 0.916 54.928 54.000 0.019 0.000 0.666 264 D CB -1.298 39.511 40.800 0.014 0.000 1.037 264 D HN 0.783 nan 8.370 nan 0.000 0.423 265 E N 1.121 121.345 120.200 0.040 0.000 2.106 265 E HA -0.228 4.124 4.350 0.003 0.000 0.192 265 E C 0.420 177.048 176.600 0.047 0.000 0.984 265 E CA 1.226 57.657 56.400 0.051 0.000 0.806 265 E CB 0.125 29.878 29.700 0.090 0.000 0.750 265 E HN 0.286 nan 8.360 nan 0.000 0.458 266 K N -0.281 120.152 120.400 0.054 0.000 3.125 266 K HA -0.137 4.185 4.320 0.003 0.000 0.268 266 K C -0.142 176.476 176.600 0.029 0.000 1.078 266 K CA 0.908 57.218 56.287 0.038 0.000 0.775 266 K CB -2.480 30.030 32.500 0.017 0.000 1.253 266 K HN 0.344 nan 8.250 nan 0.000 0.486 267 G N -0.394 108.450 108.800 0.074 0.000 2.437 267 G HA2 0.555 4.517 3.960 0.003 0.000 0.319 267 G HA3 0.555 4.517 3.960 0.003 0.000 0.319 267 G C -0.284 174.556 174.900 -0.099 0.000 1.158 267 G CA -0.634 44.452 45.100 -0.023 0.000 0.899 267 G HN 0.030 nan 8.290 nan 0.000 0.502 268 V N 1.157 120.873 119.914 -0.330 0.000 2.407 268 V HA 0.471 4.593 4.120 0.003 0.000 0.278 268 V C -0.967 174.818 176.094 -0.516 0.000 1.037 268 V CA -0.272 61.871 62.300 -0.262 0.000 0.900 268 V CB 0.209 31.943 31.823 -0.147 0.000 0.983 268 V HN 0.608 nan 8.190 nan 0.000 0.459 269 Y N 1.105 121.393 120.300 -0.019 0.000 2.524 269 Y HA 0.436 4.988 4.550 0.003 0.000 0.347 269 Y C 0.597 176.441 175.900 -0.095 0.000 1.005 269 Y CA -1.134 56.960 58.100 -0.010 0.000 1.025 269 Y CB 2.070 40.527 38.460 -0.005 0.000 1.275 269 Y HN 0.610 nan 8.280 nan 0.000 0.460 270 T N 0.691 115.277 114.554 0.054 0.000 2.987 270 T HA 0.522 4.874 4.350 0.003 0.000 0.288 270 T C -0.240 174.459 174.700 -0.001 0.000 0.981 270 T CA -0.460 61.599 62.100 -0.069 0.000 1.031 270 T CB -1.207 67.611 68.868 -0.084 0.000 0.976 270 T HN 0.575 nan 8.240 nan 0.000 0.612 271 V N 0.164 120.067 119.914 -0.018 0.000 3.113 271 V HA 0.861 4.983 4.120 0.003 0.000 0.316 271 V C 0.087 176.159 176.094 -0.037 0.000 1.125 271 V CA -1.197 61.091 62.300 -0.020 0.000 1.026 271 V CB 1.680 33.495 31.823 -0.013 0.000 1.080 271 V HN 0.674 nan 8.190 nan 0.000 0.444 272 S N 0.574 116.260 115.700 -0.025 0.000 2.541 272 S HA 0.895 5.367 4.470 0.003 0.000 0.283 272 S C -0.240 174.354 174.600 -0.011 0.000 1.196 272 S CA 0.342 58.531 58.200 -0.018 0.000 1.062 272 S CB 0.802 64.004 63.200 0.003 0.000 1.009 272 S HN 2.041 nan 8.310 nan 0.000 0.502 273 A N 2.945 125.754 122.820 -0.019 0.000 2.608 273 A HA 0.582 4.904 4.320 0.003 0.000 0.292 273 A C -1.202 176.368 177.584 -0.025 0.000 1.066 273 A CA -0.812 51.218 52.037 -0.011 0.000 0.676 273 A CB 0.386 19.370 19.000 -0.027 0.000 1.277 273 A HN 0.880 nan 8.150 nan 0.000 0.413 274 F N 2.119 121.926 119.950 -0.239 0.000 2.571 274 F HA 0.432 4.961 4.527 0.003 0.000 0.384 274 F C 0.320 175.996 175.800 -0.207 0.000 1.058 274 F CA 1.021 58.826 58.000 -0.325 0.000 1.200 274 F CB 0.427 38.898 39.000 -0.883 0.000 1.077 274 F HN 0.412 nan 8.300 nan 0.000 0.558 275 T N 9.029 123.169 114.554 -0.690 0.000 2.786 275 T HA 0.249 4.601 4.350 0.003 0.000 0.283 275 T C -1.842 172.468 174.700 -0.648 0.000 0.992 275 T CA -1.153 60.661 62.100 -0.477 0.000 0.954 275 T CB 1.709 70.458 68.868 -0.199 0.000 0.934 275 T HN 0.316 nan 8.240 nan 0.000 0.440 276 P HA 0.005 nan 4.420 nan 0.000 0.216 276 P C 0.443 177.625 177.300 -0.196 0.000 1.153 276 P CA 1.419 64.338 63.100 -0.302 0.000 0.858 276 P CB 0.199 31.834 31.700 -0.108 0.000 0.789 277 E N -1.632 118.490 120.200 -0.130 0.000 2.363 277 E HA 0.577 4.929 4.350 0.003 0.000 0.281 277 E C -1.743 174.837 176.600 -0.035 0.000 0.953 277 E CA -0.709 55.637 56.400 -0.090 0.000 0.778 277 E CB 1.629 nan 29.700 nan 0.000 1.220 277 E HN -0.184 nan 8.360 nan 0.000 0.431 278 V N 2.072 121.975 119.914 -0.018 0.000 2.577 278 V HA 0.509 4.631 4.120 0.003 0.000 0.294 278 V C -0.039 176.058 176.094 0.006 0.000 1.052 278 V CA -0.876 61.447 62.300 0.038 0.000 0.891 278 V CB 1.387 33.254 31.823 0.072 0.000 1.017 278 V HN 0.932 nan 8.190 nan 0.000 0.436 279 E N 3.190 123.387 120.200 -0.005 0.000 2.476 279 E HA -0.285 4.067 4.350 0.003 0.000 0.251 279 E C 1.351 177.939 176.600 -0.020 0.000 1.130 279 E CA 1.541 57.935 56.400 -0.009 0.000 0.736 279 E CB -1.359 28.345 29.700 0.008 0.000 1.298 279 E HN 1.807 nan 8.360 nan 0.000 0.400 280 G N -2.025 106.754 108.800 -0.034 0.000 2.268 280 G HA2 -0.377 3.585 3.960 0.003 0.000 0.240 280 G HA3 -0.377 3.585 3.960 0.003 0.000 0.240 280 G C 0.438 175.320 174.900 -0.030 0.000 1.010 280 G CA 0.101 45.181 45.100 -0.034 0.000 0.618 280 G HN 0.402 nan 8.290 nan 0.000 0.516 281 V N 2.518 122.417 119.914 -0.025 0.000 2.555 281 V HA 0.545 4.667 4.120 0.003 0.000 0.286 281 V C 0.841 176.915 176.094 -0.034 0.000 1.044 281 V CA 0.030 62.316 62.300 -0.023 0.000 1.026 281 V CB 1.291 33.106 31.823 -0.013 0.000 0.981 281 V HN 0.392 nan 8.190 nan 0.000 0.480 282 L N 4.574 125.781 121.223 -0.026 0.000 2.331 282 L HA 0.625 4.967 4.340 0.003 0.000 0.275 282 L C 0.327 177.175 176.870 -0.037 0.000 1.022 282 L CA -0.547 54.270 54.840 -0.039 0.000 0.812 282 L CB 1.051 43.106 42.059 -0.007 0.000 1.257 282 L HN 0.724 nan 8.230 nan 0.000 0.435 286 S N 5.717 121.445 115.700 0.047 0.000 2.438 286 S HA 0.890 5.362 4.470 0.003 0.000 0.316 286 S C -0.722 173.887 174.600 0.014 0.000 1.084 286 S CA -0.475 57.744 58.200 0.032 0.000 1.107 286 S CB 0.915 64.172 63.200 0.095 0.000 0.981 286 S HN 1.080 nan 8.310 nan 0.000 0.466 287 L N 0.276 121.489 121.223 -0.016 0.000 2.654 287 L HA 0.746 5.087 4.340 0.003 0.000 0.257 287 L C -0.310 176.539 176.870 -0.034 0.000 1.093 287 L CA -0.885 53.950 54.840 -0.010 0.000 0.903 287 L CB 0.663 42.718 42.059 -0.007 0.000 1.520 287 L HN 0.283 nan 8.230 nan 0.000 0.402 288 S N 0.577 116.259 115.700 -0.029 0.000 2.475 288 S HA 0.871 5.343 4.470 0.003 0.000 0.281 288 S C -0.401 174.139 174.600 -0.100 0.000 1.198 288 S CA -0.318 57.849 58.200 -0.055 0.000 1.063 288 S CB 0.011 63.195 63.200 -0.027 0.000 0.972 288 S HN 0.478 nan 8.310 nan 0.000 0.486 289 L N 3.821 124.950 121.223 -0.157 0.000 2.303 289 L HA 0.552 4.894 4.340 0.003 0.000 0.256 289 L C -2.571 174.132 176.870 -0.278 0.000 1.034 289 L CA -2.904 51.795 54.840 -0.236 0.000 0.832 289 L CB 1.938 43.800 42.059 -0.328 0.000 1.403 289 L HN 0.329 nan 8.230 nan 0.000 0.419 290 P HA 0.230 nan 4.420 nan 0.000 0.267 290 P C -1.310 175.842 177.300 -0.248 0.000 1.209 290 P CA 0.024 62.886 63.100 -0.396 0.000 0.763 290 P CB 0.473 31.864 31.700 -0.515 0.000 0.816 291 R N 2.547 122.955 120.500 -0.153 0.000 2.771 291 R HA 0.565 4.907 4.340 0.003 0.000 0.274 291 R C -0.764 175.522 176.300 -0.023 0.000 0.987 291 R CA -1.104 54.941 56.100 -0.092 0.000 0.908 291 R CB 1.476 31.732 30.300 -0.073 0.000 1.213 291 R HN 0.296 nan 8.270 nan 0.000 0.468 292 I N 2.699 123.261 120.570 -0.014 0.000 2.325 292 I HA 0.179 4.351 4.170 0.003 0.000 0.291 292 I C -0.365 175.785 176.117 0.055 0.000 1.019 292 I CA -0.073 61.239 61.300 0.020 0.000 1.302 292 I CB 0.752 38.753 38.000 0.002 0.000 1.401 292 I HN 0.198 nan 8.210 nan 0.000 0.485 293 L N 6.016 127.308 121.223 0.116 0.000 2.295 293 L HA 0.779 5.121 4.340 0.003 0.000 0.285 293 L C 0.572 177.490 176.870 0.079 0.000 1.035 293 L CA 0.057 54.960 54.840 0.105 0.000 0.806 293 L CB 0.868 43.016 42.059 0.149 0.000 1.214 293 L HN 0.791 nan 8.230 nan 0.000 0.426 294 G N 1.123 109.950 108.800 0.045 0.000 2.815 294 G HA2 0.472 4.433 3.960 0.003 0.000 0.305 294 G HA3 0.472 4.433 3.960 0.003 0.000 0.305 294 G C 0.379 175.292 174.900 0.022 0.000 1.277 294 G CA 0.222 45.343 45.100 0.035 0.000 0.795 294 G HN 0.531 nan 8.290 nan 0.000 0.528 295 A N -0.927 121.904 122.820 0.019 0.000 2.125 295 A HA 0.247 4.569 4.320 0.003 0.000 0.219 295 A C 2.091 179.685 177.584 0.016 0.000 1.156 295 A CA 2.286 54.332 52.037 0.014 0.000 0.671 295 A CB -0.533 18.475 19.000 0.013 0.000 0.794 295 A HN 1.496 nan 8.150 nan 0.000 0.459 296 G N -1.980 106.832 108.800 0.020 0.000 3.284 296 G HA2 0.455 4.417 3.960 0.003 0.000 0.236 296 G HA3 0.455 4.417 3.960 0.003 0.000 0.236 296 G C 0.980 175.895 174.900 0.026 0.000 1.158 296 G CA 0.571 45.685 45.100 0.023 0.000 0.774 296 G HN 1.455 nan 8.290 nan 0.000 0.545 297 G N -0.413 108.400 108.800 0.021 0.000 2.509 297 G HA2 -0.231 3.731 3.960 0.003 0.000 0.256 297 G HA3 -0.231 3.731 3.960 0.003 0.000 0.256 297 G C 0.045 174.959 174.900 0.022 0.000 1.152 297 G CA -0.140 44.971 45.100 0.019 0.000 0.951 297 G HN 0.749 nan 8.290 nan 0.000 0.559 298 V N 2.710 122.637 119.914 0.021 0.000 2.479 298 V HA 0.416 4.538 4.120 0.003 0.000 0.281 298 V C 0.733 176.839 176.094 0.019 0.000 1.031 298 V CA 0.885 63.194 62.300 0.016 0.000 1.038 298 V CB 0.735 32.561 31.823 0.004 0.000 0.981 298 V HN 0.634 nan 8.190 nan 0.000 0.478 302 T N 0.657 115.168 114.554 -0.072 0.000 2.824 302 T HA 0.590 4.942 4.350 0.003 0.000 0.282 302 T C -0.240 174.321 174.700 -0.232 0.000 0.993 302 T CA -0.460 61.518 62.100 -0.204 0.000 0.967 302 T CB 1.844 70.529 68.868 -0.305 0.000 0.960 302 T HN 0.574 nan 8.240 nan 0.000 0.441 303 V N 4.031 123.769 119.914 -0.294 0.000 2.347 303 V HA 0.325 4.447 4.120 0.003 0.000 0.280 303 V C -0.997 174.902 176.094 -0.325 0.000 1.021 303 V CA -0.947 61.237 62.300 -0.194 0.000 0.847 303 V CB 0.217 31.963 31.823 -0.129 0.000 0.990 303 V HN 0.806 nan 8.190 nan 0.000 0.444 304 Y N 7.117 127.392 120.300 -0.043 0.000 2.504 304 Y HA 0.457 5.009 4.550 0.003 0.000 0.351 304 Y C -1.253 174.632 175.900 -0.025 0.000 0.988 304 Y CA -1.834 56.243 58.100 -0.038 0.000 1.239 304 Y CB 0.242 38.682 38.460 -0.033 0.000 1.128 304 Y HN 0.541 nan 8.280 nan 0.000 0.525 305 P HA 0.349 nan 4.420 nan 0.000 0.325 305 P C -0.945 176.396 177.300 0.068 0.000 1.298 305 P CA -0.912 62.215 63.100 0.046 0.000 0.771 305 P CB 1.184 32.888 31.700 0.007 0.000 1.389 306 S N -0.356 115.386 115.700 0.070 0.000 2.448 306 S HA 0.622 5.094 4.470 0.003 0.000 0.320 306 S C -0.467 174.180 174.600 0.077 0.000 1.071 306 S CA -0.658 57.583 58.200 0.069 0.000 1.113 306 S CB -0.844 62.395 63.200 0.064 0.000 0.972 306 S HN 0.273 nan 8.310 nan 0.000 0.465 307 L N 3.086 124.352 121.223 0.072 0.000 2.354 307 L HA 0.607 4.949 4.340 0.003 0.000 0.269 307 L C 0.687 177.599 176.870 0.069 0.000 1.005 307 L CA -0.999 53.888 54.840 0.078 0.000 0.819 307 L CB 2.297 44.400 42.059 0.073 0.000 1.311 307 L HN 0.842 nan 8.230 nan 0.000 0.423 308 S N 0.847 116.594 115.700 0.078 0.000 2.587 308 S HA 0.203 4.675 4.470 0.003 0.000 0.260 308 S C -1.948 172.684 174.600 0.053 0.000 1.353 308 S CA -0.744 57.496 58.200 0.066 0.000 0.995 308 S CB 0.461 63.706 63.200 0.076 0.000 0.912 308 S HN 0.456 nan 8.310 nan 0.000 0.568 309 P HA -0.097 nan 4.420 nan 0.000 0.215 309 P C 1.306 178.627 177.300 0.034 0.000 1.157 309 P CA 1.451 64.570 63.100 0.032 0.000 0.868 309 P CB -0.032 31.682 31.700 0.024 0.000 0.788 310 E N -0.260 119.962 120.200 0.037 0.000 2.038 310 E HA -0.225 4.127 4.350 0.003 0.000 0.195 310 E C 2.009 178.639 176.600 0.050 0.000 1.000 310 E CA 1.331 57.754 56.400 0.038 0.000 0.803 310 E CB -0.407 29.316 29.700 0.038 0.000 0.750 310 E HN 0.410 nan 8.360 nan 0.000 0.448 311 E N 0.242 120.483 120.200 0.069 0.000 2.106 311 E HA -0.180 4.172 4.350 0.003 0.000 0.192 311 E C 2.148 178.781 176.600 0.056 0.000 0.984 311 E CA 0.670 57.116 56.400 0.077 0.000 0.806 311 E CB -0.044 29.718 29.700 0.102 0.000 0.750 311 E HN 0.078 nan 8.360 nan 0.000 0.458 312 R N 0.944 121.473 120.500 0.050 0.000 2.092 312 R HA -0.185 4.156 4.340 0.003 0.000 0.231 312 R C 2.189 178.507 176.300 0.030 0.000 1.119 312 R CA 1.526 57.650 56.100 0.041 0.000 0.970 312 R CB 0.049 30.372 30.300 0.037 0.000 0.864 312 R HN -0.001 nan 8.270 nan 0.000 0.440 313 E N 0.394 120.610 120.200 0.027 0.000 2.106 313 E HA -0.117 4.234 4.350 0.003 0.000 0.192 313 E C 1.638 178.249 176.600 0.018 0.000 0.984 313 E CA 1.622 58.033 56.400 0.019 0.000 0.806 313 E CB -0.179 29.530 29.700 0.016 0.000 0.750 313 E HN 0.415 nan 8.360 nan 0.000 0.458 314 A N 0.413 123.248 122.820 0.025 0.000 1.933 314 A HA -0.129 4.193 4.320 0.003 0.000 0.218 314 A C 2.169 179.764 177.584 0.019 0.000 1.175 314 A CA 1.493 53.544 52.037 0.022 0.000 0.628 314 A CB -0.736 18.282 19.000 0.031 0.000 0.814 314 A HN 0.396 nan 8.150 nan 0.000 0.444 315 L N -0.339 120.898 121.223 0.024 0.000 2.141 315 L HA -0.051 4.291 4.340 0.003 0.000 0.209 315 L C 2.375 179.255 176.870 0.017 0.000 1.094 315 L CA 2.067 56.920 54.840 0.021 0.000 0.763 315 L CB -0.568 41.508 42.059 0.029 0.000 0.908 315 L HN 0.452 nan 8.230 nan 0.000 0.437 316 R N -0.596 119.914 120.500 0.016 0.000 2.062 316 R HA -0.134 4.208 4.340 0.003 0.000 0.231 316 R C 2.426 178.730 176.300 0.006 0.000 1.136 316 R CA 1.540 57.646 56.100 0.010 0.000 0.948 316 R CB -0.158 30.146 30.300 0.007 0.000 0.845 316 R HN 0.327 nan 8.270 nan 0.000 0.430 317 R N -0.320 120.184 120.500 0.006 0.000 2.105 317 R HA -0.110 4.231 4.340 0.003 0.000 0.239 317 R C 2.531 178.834 176.300 0.005 0.000 1.135 317 R CA 1.658 57.761 56.100 0.004 0.000 0.967 317 R CB -0.390 29.912 30.300 0.003 0.000 0.861 317 R HN 0.188 nan 8.270 nan 0.000 0.442 318 S N 0.373 116.077 115.700 0.007 0.000 2.368 318 S HA -0.124 4.348 4.470 0.003 0.000 0.225 318 S C 2.055 176.660 174.600 0.010 0.000 1.030 318 S CA 1.190 59.394 58.200 0.007 0.000 0.999 318 S CB -0.099 63.105 63.200 0.007 0.000 0.844 318 S HN 0.446 nan 8.310 nan 0.000 0.459 319 A N 1.438 124.264 122.820 0.009 0.000 1.902 319 A HA -0.051 4.271 4.320 0.003 0.000 0.217 319 A C 2.120 179.711 177.584 0.012 0.000 1.181 319 A CA 1.440 53.483 52.037 0.010 0.000 0.623 319 A CB -0.637 18.367 19.000 0.006 0.000 0.818 319 A HN 0.536 nan 8.150 nan 0.000 0.443 320 E N -0.101 120.104 120.200 0.008 0.000 2.110 320 E HA -0.152 4.200 4.350 0.003 0.000 0.193 320 E C 1.944 178.553 176.600 0.014 0.000 0.988 320 E CA 0.960 57.364 56.400 0.007 0.000 0.804 320 E CB -0.343 29.356 29.700 -0.002 0.000 0.745 320 E HN 0.728 nan 8.360 nan 0.000 0.458 321 I N 0.783 121.361 120.570 0.014 0.000 2.163 321 I HA -0.294 3.878 4.170 0.003 0.000 0.243 321 I C 2.400 178.536 176.117 0.031 0.000 1.085 321 I CA 0.965 62.276 61.300 0.018 0.000 1.347 321 I CB -0.166 37.841 38.000 0.011 0.000 1.044 321 I HN 0.067 nan 8.210 nan 0.000 0.408 322 L N 0.097 121.340 121.223 0.033 0.000 2.109 322 L HA -0.187 4.155 4.340 0.003 0.000 0.207 322 L C 2.541 179.454 176.870 0.073 0.000 1.086 322 L CA 0.850 55.718 54.840 0.047 0.000 0.760 322 L CB -0.525 41.559 42.059 0.041 0.000 0.910 322 L HN 0.153 nan 8.230 nan 0.000 0.437 323 K N 1.044 121.485 120.400 0.067 0.000 2.009 323 K HA -0.204 4.118 4.320 0.003 0.000 0.210 323 K C 1.848 178.523 176.600 0.124 0.000 1.049 323 K CA 1.724 58.066 56.287 0.093 0.000 0.929 323 K CB -0.195 32.336 32.500 0.052 0.000 0.714 323 K HN 0.277 nan 8.250 nan 0.000 0.440 324 E N -0.254 119.997 120.200 0.084 0.000 2.038 324 E HA -0.206 4.146 4.350 0.003 0.000 0.195 324 E C 2.014 178.701 176.600 0.145 0.000 1.000 324 E CA 1.345 57.805 56.400 0.099 0.000 0.803 324 E CB -0.344 29.388 29.700 0.053 0.000 0.750 324 E HN 0.441 nan 8.360 nan 0.000 0.448 325 A N 1.395 124.278 122.820 0.105 0.000 1.917 325 A HA -0.226 4.096 4.320 0.003 0.000 0.219 325 A C 2.364 180.025 177.584 0.128 0.000 1.182 325 A CA 2.086 54.181 52.037 0.097 0.000 0.633 325 A CB -0.718 18.320 19.000 0.063 0.000 0.819 325 A HN 0.321 nan 8.150 nan 0.000 0.448 326 A N -1.866 121.049 122.820 0.158 0.000 1.930 326 A HA 0.110 4.432 4.320 0.003 0.000 0.215 326 A C 2.038 179.762 177.584 0.233 0.000 1.176 326 A CA 1.301 53.455 52.037 0.194 0.000 0.632 326 A CB -0.594 18.530 19.000 0.208 0.000 0.819 326 A HN 0.617 nan 8.150 nan 0.000 0.445 327 F N 1.095 121.109 119.950 0.105 0.000 2.146 327 F HA 0.003 4.532 4.527 0.003 0.000 0.298 327 F C 2.327 178.163 175.800 0.060 0.000 1.096 327 F CA 1.205 59.253 58.000 0.080 0.000 1.275 327 F CB -0.177 38.859 39.000 0.060 0.000 1.008 327 F HN 0.216 nan 8.300 nan 0.000 0.480 328 A N -0.538 122.442 122.820 0.267 0.000 2.259 328 A HA -0.067 4.255 4.320 0.003 0.000 0.212 328 A C 1.595 179.210 177.584 0.051 0.000 1.178 328 A CA 1.424 53.553 52.037 0.153 0.000 0.734 328 A CB -0.812 18.277 19.000 0.148 0.000 0.774 328 A HN 0.520 nan 8.150 nan 0.000 0.481 329 L N -2.995 118.252 121.223 0.039 0.000 3.039 329 L HA 0.430 4.772 4.340 0.003 0.000 0.269 329 L C 1.033 177.891 176.870 -0.020 0.000 1.169 329 L CA 1.328 56.215 54.840 0.078 0.000 0.986 329 L CB 0.464 42.643 42.059 0.199 0.000 1.377 329 L HN 0.604 nan 8.230 nan 0.000 0.575 330 G N -0.029 108.650 108.800 -0.202 0.000 2.303 330 G HA2 -0.268 3.694 3.960 0.003 0.000 0.260 330 G HA3 -0.268 3.694 3.960 0.003 0.000 0.260 330 G C -0.220 174.348 174.900 -0.553 0.000 1.106 330 G CA 0.387 45.212 45.100 -0.458 0.000 0.900 330 G HN 0.165 nan 8.290 nan 0.000 0.495 331 F N 0.000 119.900 119.950 -0.083 0.000 2.286 331 F HA 0.000 4.529 4.527 0.003 0.000 0.279 331 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 331 F CB 0.000 39.002 39.000 0.003 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574