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 1a6e_1_B DATA FIRST_RESID 20 DATA SEQUENCE KDAMKENIEA AIAISNSVRS SLGPRGMDKM LVDSLGDIVI TNDGVTILKE DATA SEQUENCE MDVEHPAAKM MVEVSKTQDS FVGDGTTTAV IIAGGLLQQA QGLINQNVHP DATA SEQUENCE TVISEGYRMA SEEAKRVIDE ISTKIGADEK ALLLKMAQTS LNSKSASVAK DATA SEQUENCE DKLAEISYEA VKSVAELRDG KYYVDFDNIQ VVKKQGGAID DTQLINGIIV DATA SEQUENCE DKEKVHPGMP DVVKDAKIAL LDAPLEIKKP EFDTNLRIED PSMIQKFLAQ DATA SEQUENCE EENMLREMVD KIKSVGANVV ITQKGIDDMA QHYLSRAGIY AVRRVKKSDM DATA SEQUENCE DKLAKATGAS IVSTIDEISS SDLGTAERVE QVKVGEDYMT FVTGCKNPKA DATA SEQUENCE VSILVRGETE HVVDEMERSI TDSLHVVASA LEDGAYAAGG GATAAEIAFR DATA SEQUENCE LRSYAQKIGG RQQLAIEKFA DAIEEIPRAL AENAGLDPID ILLKLRAEHA DATA SEQUENCE KGNKTYGINV FTGEIEDMVK NGVIEPIRVG KQAIESATEA AIMILRIDDV DATA SEQUENCE IA 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.595 176.600 -0.008 0.000 0.988 20 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 20 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 21 D N 0.716 121.115 120.400 -0.001 0.000 2.103 21 D HA -0.149 nan 4.640 nan 0.000 0.199 21 D C 1.525 177.835 176.300 0.017 0.000 0.978 21 D CA 3.965 57.969 54.000 0.007 0.000 0.829 21 D CB -0.485 40.320 40.800 0.008 0.000 0.981 21 D HN 0.391 8.760 8.370 -0.002 0.000 0.464 22 A N -0.975 121.856 122.820 0.018 0.000 1.927 22 A HA -0.342 nan 4.320 nan 0.000 0.220 22 A C 1.744 179.352 177.584 0.040 0.000 1.185 22 A CA 3.196 55.252 52.037 0.033 0.000 0.639 22 A CB -0.714 18.298 19.000 0.020 0.000 0.820 22 A HN 0.398 8.554 8.150 0.011 0.000 0.451 23 M N -1.704 117.907 119.600 0.018 0.000 2.064 23 M HA -0.320 nan 4.480 nan 0.000 0.260 23 M C 1.766 178.071 176.300 0.009 0.000 1.073 23 M CA 3.495 58.801 55.300 0.010 0.000 1.124 23 M CB -0.233 32.360 32.600 -0.011 0.000 1.326 23 M HN -0.605 7.676 8.290 0.008 0.013 0.410 24 K N -0.892 119.509 120.400 0.003 0.000 2.059 24 K HA -0.442 nan 4.320 nan 0.000 0.212 24 K C 2.323 178.920 176.600 -0.005 0.000 1.050 24 K CA 3.333 59.619 56.287 -0.003 0.000 0.927 24 K CB -0.612 31.887 32.500 -0.002 0.000 0.714 24 K HN -0.211 8.039 8.250 0.001 0.000 0.447 25 E N -1.546 118.662 120.200 0.013 0.000 2.077 25 E HA -0.338 nan 4.350 nan 0.000 0.193 25 E C 2.105 178.681 176.600 -0.040 0.000 0.989 25 E CA 3.361 59.771 56.400 0.016 0.000 0.800 25 E CB -0.217 29.540 29.700 0.095 0.000 0.746 25 E HN 0.307 8.571 8.360 0.024 0.110 0.452 26 N N 0.101 118.819 118.700 0.030 0.000 2.084 26 N HA -0.279 nan 4.740 nan 0.000 0.190 26 N C 2.516 177.993 175.510 -0.055 0.000 1.030 26 N CA 2.989 56.057 53.050 0.030 0.000 0.849 26 N CB 0.166 38.711 38.487 0.096 0.000 1.012 26 N HN -0.310 8.024 8.380 0.059 0.081 0.423 27 I N 0.696 121.250 120.570 -0.027 0.000 2.163 27 I HA -0.614 nan 4.170 nan 0.000 0.243 27 I C 1.535 177.618 176.117 -0.056 0.000 1.085 27 I CA 4.748 66.032 61.300 -0.026 0.000 1.347 27 I CB -0.287 37.708 38.000 -0.009 0.000 1.044 27 I HN 0.515 8.720 8.210 -0.008 0.000 0.408 28 E N -0.954 119.202 120.200 -0.072 0.000 2.031 28 E HA -0.442 nan 4.350 nan 0.000 0.193 28 E C 2.343 178.865 176.600 -0.131 0.000 0.994 28 E CA 3.339 59.689 56.400 -0.084 0.000 0.800 28 E CB -0.362 29.295 29.700 -0.071 0.000 0.752 28 E HN -0.375 7.948 8.360 -0.061 0.000 0.447 29 A N -0.970 121.703 122.820 -0.246 0.000 1.927 29 A HA -0.348 nan 4.320 nan 0.000 0.220 29 A C 2.054 179.528 177.584 -0.183 0.000 1.185 29 A CA 3.022 54.856 52.037 -0.339 0.000 0.639 29 A CB -0.898 17.561 19.000 -0.901 0.000 0.820 29 A HN -0.136 7.845 8.150 -0.283 0.000 0.451 30 A N -1.270 121.468 122.820 -0.136 0.000 1.845 30 A HA -0.314 nan 4.320 nan 0.000 0.215 30 A C 2.031 179.587 177.584 -0.046 0.000 1.195 30 A CA 2.919 54.920 52.037 -0.059 0.000 0.616 30 A CB -0.637 18.346 19.000 -0.028 0.000 0.832 30 A HN -0.239 7.816 8.150 -0.157 0.001 0.443 31 I N -1.670 118.872 120.570 -0.046 0.000 2.315 31 I HA -0.614 nan 4.170 nan 0.000 0.251 31 I C 1.778 177.872 176.117 -0.038 0.000 1.125 31 I CA 3.615 64.892 61.300 -0.037 0.000 1.392 31 I CB -0.571 37.409 38.000 -0.034 0.000 1.065 31 I HN 0.151 8.330 8.210 -0.052 0.000 0.424 32 A N 0.118 122.909 122.820 -0.048 0.000 1.877 32 A HA -0.297 nan 4.320 nan 0.000 0.216 32 A C 1.902 179.468 177.584 -0.030 0.000 1.186 32 A CA 3.551 55.563 52.037 -0.041 0.000 0.620 32 A CB -0.936 18.032 19.000 -0.053 0.000 0.822 32 A HN 0.378 8.389 8.150 -0.064 0.101 0.443 33 I N -2.020 118.532 120.570 -0.029 0.000 2.286 33 I HA -0.422 nan 4.170 nan 0.000 0.248 33 I C 2.413 178.520 176.117 -0.017 0.000 1.115 33 I CA 1.019 62.309 61.300 -0.017 0.000 1.392 33 I CB -1.751 36.243 38.000 -0.011 0.000 1.065 33 I HN -0.444 7.662 8.210 -0.038 0.081 0.418 34 S N 1.368 117.055 115.700 -0.021 0.000 2.359 34 S HA -0.419 nan 4.470 nan 0.000 0.222 34 S C 2.561 177.148 174.600 -0.022 0.000 1.038 34 S CA 4.325 62.512 58.200 -0.022 0.000 1.051 34 S CB -0.738 62.445 63.200 -0.027 0.000 0.944 34 S HN -0.098 8.129 8.310 -0.024 0.069 0.433 35 N N 1.354 120.040 118.700 -0.023 0.000 2.192 35 N HA -0.340 nan 4.740 nan 0.000 0.188 35 N C 2.084 177.584 175.510 -0.018 0.000 1.013 35 N CA 2.754 55.791 53.050 -0.022 0.000 0.863 35 N CB -0.080 38.394 38.487 -0.022 0.000 0.990 35 N HN -0.034 8.331 8.380 -0.025 0.000 0.430 36 S N -0.708 114.983 115.700 -0.016 0.000 2.442 36 S HA -0.237 nan 4.470 nan 0.000 0.236 36 S C 1.313 175.907 174.600 -0.010 0.000 1.007 36 S CA 3.297 61.490 58.200 -0.012 0.000 0.965 36 S CB 0.006 63.200 63.200 -0.009 0.000 0.773 36 S HN -0.315 7.875 8.310 -0.017 0.110 0.504 37 V N 2.883 122.789 119.914 -0.012 0.000 3.523 37 V HA 0.046 nan 4.120 nan 0.000 0.255 37 V C 1.266 177.351 176.094 -0.014 0.000 1.226 37 V CA 1.519 63.812 62.300 -0.011 0.000 1.092 37 V CB -0.344 31.473 31.823 -0.010 0.000 0.817 37 V HN 0.404 8.426 8.190 -0.014 0.160 0.458 38 R N 1.785 122.274 120.500 -0.018 0.000 2.113 38 R HA -0.456 nan 4.340 nan 0.000 0.244 38 R C 1.755 178.042 176.300 -0.021 0.000 1.142 38 R CA 4.244 60.331 56.100 -0.022 0.000 0.953 38 R CB -0.251 30.034 30.300 -0.025 0.000 0.860 38 R HN -0.220 7.939 8.270 -0.019 0.100 0.438 39 S N -3.179 112.510 115.700 -0.018 0.000 2.537 39 S HA -0.218 nan 4.470 nan 0.000 0.240 39 S C 1.629 176.220 174.600 -0.014 0.000 0.981 39 S CA 2.675 60.865 58.200 -0.017 0.000 0.948 39 S CB -0.747 62.444 63.200 -0.014 0.000 0.759 39 S HN -0.025 8.276 8.310 -0.016 0.000 0.531 40 S N 0.807 116.499 115.700 -0.013 0.000 2.556 40 S HA 0.070 nan 4.470 nan 0.000 0.216 40 S C -0.136 174.457 174.600 -0.011 0.000 0.970 40 S CA -0.010 58.185 58.200 -0.008 0.000 0.912 40 S CB 0.744 63.941 63.200 -0.004 0.000 0.790 40 S HN -0.132 7.995 8.310 -0.013 0.175 0.504 41 L N 2.737 123.949 121.223 -0.018 0.000 2.367 41 L HA -0.097 nan 4.340 nan 0.000 0.275 41 L C -0.560 176.292 176.870 -0.030 0.000 1.129 41 L CA 0.917 55.743 54.840 -0.022 0.000 0.839 41 L CB 0.465 42.508 42.059 -0.027 0.000 1.133 41 L HN -0.653 7.508 8.230 -0.020 0.056 0.453 42 G N 4.154 112.937 108.800 -0.027 0.000 2.698 42 G HA2 -0.249 nan 3.960 nan 0.000 0.225 42 G HA3 -0.249 nan 3.960 nan 0.000 0.225 42 G C -1.749 173.130 174.900 -0.035 0.000 1.345 42 G CA -0.540 44.534 45.100 -0.043 0.000 0.871 42 G HN -0.426 7.854 8.290 -0.017 0.000 0.540 43 P HA -0.012 nan 4.420 nan 0.000 0.229 43 P C -0.547 176.745 177.300 -0.014 0.000 1.160 43 P CA 1.280 64.366 63.100 -0.023 0.000 0.777 43 P CB 0.211 31.851 31.700 -0.101 0.000 0.814 44 R N -3.152 117.313 120.500 -0.058 0.000 2.609 44 R HA 0.220 nan 4.340 nan 0.000 0.326 44 R C 0.030 176.318 176.300 -0.019 0.000 1.090 44 R CA -0.885 55.197 56.100 -0.030 0.000 1.072 44 R CB -0.144 30.122 30.300 -0.056 0.000 1.330 44 R HN 0.041 8.219 8.270 -0.089 0.039 0.572 45 G N 0.141 108.932 108.800 -0.014 0.000 2.544 45 G HA2 -0.032 nan 3.960 nan 0.000 0.242 45 G HA3 -0.032 nan 3.960 nan 0.000 0.242 45 G C -1.491 173.408 174.900 -0.000 0.000 1.247 45 G CA -0.026 45.069 45.100 -0.009 0.000 0.840 45 G HN -0.590 7.521 8.290 -0.011 0.172 0.578 46 M N 1.658 121.257 119.600 -0.002 0.000 2.762 46 M HA 0.368 nan 4.480 nan 0.000 0.306 46 M C -1.444 174.858 176.300 0.003 0.000 1.223 46 M CA -2.178 53.123 55.300 0.001 0.000 0.896 46 M CB 3.579 36.178 32.600 -0.002 0.000 1.684 46 M HN 0.278 8.448 8.290 -0.006 0.116 0.491 47 D N -0.119 120.285 120.400 0.005 0.000 2.392 47 D HA 0.644 nan 4.640 nan 0.000 0.246 47 D C -1.269 175.033 176.300 0.004 0.000 1.013 47 D CA -0.922 53.083 54.000 0.007 0.000 0.993 47 D CB 2.015 42.822 40.800 0.012 0.000 1.219 47 D HN -0.093 8.280 8.370 0.005 0.000 0.538 48 K N -0.686 119.717 120.400 0.006 0.000 2.259 48 K HA 0.489 nan 4.320 nan 0.000 0.249 48 K C -1.525 175.078 176.600 0.005 0.000 0.942 48 K CA -1.987 54.302 56.287 0.004 0.000 0.816 48 K CB 3.074 35.577 32.500 0.004 0.000 1.155 48 K HN 0.872 9.016 8.250 0.009 0.111 0.428 49 M N 2.068 121.668 119.600 -0.000 0.000 2.227 49 M HA 0.461 nan 4.480 nan 0.000 0.335 49 M C -1.502 174.798 176.300 -0.001 0.000 1.053 49 M CA -0.641 54.656 55.300 -0.005 0.000 0.973 49 M CB 1.462 34.052 32.600 -0.017 0.000 1.623 49 M HN 0.225 8.514 8.290 -0.002 0.000 0.434 50 L N 6.877 128.103 121.223 0.005 0.000 2.376 50 L HA 0.436 nan 4.340 nan 0.000 0.275 50 L C -1.714 175.162 176.870 0.010 0.000 0.987 50 L CA -0.694 54.151 54.840 0.008 0.000 0.828 50 L CB 2.085 44.153 42.059 0.015 0.000 1.249 50 L HN 0.850 8.972 8.230 0.010 0.114 0.409 51 V N 1.435 121.352 119.914 0.004 0.000 2.326 51 V HA 0.382 nan 4.120 nan 0.000 0.281 51 V C -0.199 175.901 176.094 0.009 0.000 1.015 51 V CA -2.327 59.976 62.300 0.005 0.000 0.823 51 V CB -0.228 31.593 31.823 -0.005 0.000 1.009 51 V HN 0.243 8.435 8.190 0.003 0.000 0.436 52 D N 7.880 128.289 120.400 0.015 0.000 2.380 52 D HA 0.156 nan 4.640 nan 0.000 0.254 52 D C 1.387 177.693 176.300 0.010 0.000 1.288 52 D CA -0.466 53.541 54.000 0.013 0.000 1.008 52 D CB 0.689 41.498 40.800 0.015 0.000 1.099 52 D HN 0.318 8.701 8.370 0.021 0.000 0.537 53 S N -1.329 114.377 115.700 0.009 0.000 2.359 53 S HA -0.292 nan 4.470 nan 0.000 0.224 53 S C 0.734 175.339 174.600 0.009 0.000 1.035 53 S CA 2.926 61.130 58.200 0.008 0.000 1.018 53 S CB -0.210 62.994 63.200 0.007 0.000 0.876 53 S HN 0.245 8.560 8.310 0.010 0.000 0.448 54 L N 0.068 121.297 121.223 0.011 0.000 2.633 54 L HA -0.009 nan 4.340 nan 0.000 0.235 54 L C 0.742 177.621 176.870 0.015 0.000 1.163 54 L CA -0.268 54.580 54.840 0.012 0.000 0.859 54 L CB -1.033 41.034 42.059 0.014 0.000 0.973 54 L HN -0.454 7.860 8.230 0.011 -0.077 0.451 55 G N -2.614 106.194 108.800 0.014 0.000 2.141 55 G HA2 -0.432 nan 3.960 nan 0.000 0.242 55 G HA3 -0.432 nan 3.960 nan 0.000 0.242 55 G C -0.614 174.301 174.900 0.024 0.000 0.982 55 G CA -0.325 44.783 45.100 0.014 0.000 0.662 55 G HN -0.371 7.770 8.290 0.012 0.157 0.527 56 D N 1.868 122.288 120.400 0.033 0.000 2.383 56 D HA 0.041 nan 4.640 nan 0.000 0.252 56 D C -0.934 175.404 176.300 0.063 0.000 1.166 56 D CA 1.215 55.250 54.000 0.058 0.000 0.879 56 D CB 0.771 41.601 40.800 0.050 0.000 1.164 56 D HN -0.325 8.306 8.370 0.027 -0.245 0.462 57 I N 1.815 122.449 120.570 0.106 0.000 2.377 57 I HA 0.516 nan 4.170 nan 0.000 0.293 57 I C -1.679 174.541 176.117 0.171 0.000 0.987 57 I CA -1.167 60.172 61.300 0.063 0.000 1.185 57 I CB 2.283 40.221 38.000 -0.103 0.000 1.341 57 I HN 0.076 8.388 8.210 0.169 0.000 0.455 58 V N 8.046 128.023 119.914 0.104 0.000 2.419 58 V HA 0.524 nan 4.120 nan 0.000 0.287 58 V C -2.274 173.865 176.094 0.076 0.000 1.017 58 V CA -1.615 60.759 62.300 0.123 0.000 0.844 58 V CB 2.442 34.309 31.823 0.072 0.000 1.011 58 V HN 0.934 9.046 8.190 0.054 0.111 0.429 59 I N 10.077 130.704 120.570 0.095 0.000 2.328 59 I HA 0.599 nan 4.170 nan 0.000 0.287 59 I C -1.594 174.554 176.117 0.053 0.000 1.012 59 I CA -0.829 60.500 61.300 0.048 0.000 1.195 59 I CB 0.681 38.698 38.000 0.028 0.000 1.350 59 I HN 0.199 8.512 8.210 0.172 0.000 0.464 60 T N 7.964 122.538 114.554 0.035 0.000 2.731 60 T HA 0.461 nan 4.350 nan 0.000 0.300 60 T C -1.875 172.837 174.700 0.020 0.000 1.283 60 T CA -0.797 61.321 62.100 0.030 0.000 1.005 60 T CB 3.163 72.049 68.868 0.029 0.000 1.420 60 T HN 0.751 9.007 8.240 0.026 0.000 0.503 61 N N 1.186 119.897 118.700 0.019 0.000 2.382 61 N HA 0.220 nan 4.740 nan 0.000 0.200 61 N C -1.056 174.461 175.510 0.011 0.000 1.122 61 N CA 0.422 53.481 53.050 0.014 0.000 0.870 61 N CB 2.570 41.067 38.487 0.016 0.000 1.176 61 N HN -0.026 8.512 8.380 0.021 -0.145 0.474 62 D N 1.938 122.346 120.400 0.013 0.000 2.455 62 D HA -0.150 nan 4.640 nan 0.000 0.265 62 D C 1.132 177.434 176.300 0.004 0.000 1.284 62 D CA 0.967 54.973 54.000 0.009 0.000 0.944 62 D CB 0.333 41.138 40.800 0.009 0.000 1.121 62 D HN -0.696 7.684 8.370 0.016 0.000 0.525 63 G N 5.169 113.970 108.800 0.001 0.000 2.475 63 G HA2 -0.432 nan 3.960 nan 0.000 0.220 63 G HA3 -0.432 nan 3.960 nan 0.000 0.220 63 G C 0.870 175.768 174.900 -0.003 0.000 1.125 63 G CA 2.292 47.391 45.100 -0.001 0.000 0.755 63 G HN 0.226 8.518 8.290 0.003 0.000 0.565 64 V N 2.187 122.097 119.914 -0.007 0.000 2.343 64 V HA -0.435 nan 4.120 nan 0.000 0.247 64 V C 2.117 178.205 176.094 -0.010 0.000 1.051 64 V CA 3.855 66.148 62.300 -0.013 0.000 1.036 64 V CB -1.098 30.709 31.823 -0.026 0.000 0.654 64 V HN -0.359 7.856 8.190 -0.008 -0.030 0.451 65 T N 2.891 117.441 114.554 -0.007 0.000 2.737 65 T HA -0.297 nan 4.350 nan 0.000 0.265 65 T C 1.788 176.490 174.700 0.003 0.000 1.038 65 T CA 4.857 66.956 62.100 -0.001 0.000 1.144 65 T CB -0.533 68.337 68.868 0.003 0.000 0.866 65 T HN -0.262 8.260 8.240 -0.006 -0.286 0.434 66 I N 1.167 121.739 120.570 0.004 0.000 2.194 66 I HA -0.563 nan 4.170 nan 0.000 0.246 66 I C 1.645 177.764 176.117 0.003 0.000 1.093 66 I CA 4.266 65.569 61.300 0.005 0.000 1.355 66 I CB -0.559 37.443 38.000 0.003 0.000 1.046 66 I HN 0.232 8.444 8.210 0.003 0.000 0.413 67 L N -0.925 120.298 121.223 0.001 0.000 2.007 67 L HA -0.314 nan 4.340 nan 0.000 0.205 67 L C 1.406 178.278 176.870 0.002 0.000 1.073 67 L CA 2.149 56.990 54.840 0.002 0.000 0.744 67 L CB -1.135 40.924 42.059 0.001 0.000 0.898 67 L HN 0.048 8.173 8.230 -0.000 0.105 0.435 68 K N -3.683 116.716 120.400 -0.001 0.000 2.211 68 K HA -0.304 nan 4.320 nan 0.000 0.204 68 K C 2.064 178.665 176.600 0.002 0.000 1.047 68 K CA 2.432 58.718 56.287 -0.002 0.000 0.935 68 K CB 0.025 32.520 32.500 -0.008 0.000 0.728 68 K HN 0.078 8.212 8.250 -0.003 0.114 0.452 69 E N -2.217 117.986 120.200 0.004 0.000 2.042 69 E HA -0.081 nan 4.350 nan 0.000 0.189 69 E C 0.844 177.449 176.600 0.008 0.000 0.974 69 E CA 1.027 57.431 56.400 0.007 0.000 0.806 69 E CB 1.022 30.729 29.700 0.010 0.000 0.769 69 E HN -0.379 7.946 8.360 0.003 0.036 0.451 70 M N -0.491 119.113 119.600 0.008 0.000 2.243 70 M HA -0.139 nan 4.480 nan 0.000 0.309 70 M C 0.060 176.366 176.300 0.010 0.000 1.050 70 M CA 0.823 56.128 55.300 0.008 0.000 1.139 70 M CB 0.240 32.844 32.600 0.007 0.000 1.457 70 M HN -0.375 7.919 8.290 0.007 0.000 0.440 71 D N 2.291 122.698 120.400 0.011 0.000 2.522 71 D HA 0.119 nan 4.640 nan 0.000 0.218 71 D C -0.462 175.849 176.300 0.017 0.000 1.149 71 D CA -0.470 53.538 54.000 0.013 0.000 0.981 71 D CB -1.038 39.769 40.800 0.011 0.000 1.041 71 D HN 0.089 8.465 8.370 0.010 0.000 0.518 72 V N -0.558 119.368 119.914 0.021 0.000 2.509 72 V HA 0.359 nan 4.120 nan 0.000 0.284 72 V C -1.073 175.044 176.094 0.038 0.000 1.047 72 V CA -1.577 60.742 62.300 0.032 0.000 0.952 72 V CB 0.905 32.748 31.823 0.034 0.000 0.988 72 V HN -0.324 7.877 8.190 0.018 0.000 0.469 73 E N 3.633 123.866 120.200 0.055 0.000 2.357 73 E HA -0.076 nan 4.350 nan 0.000 0.202 73 E C -0.648 175.991 176.600 0.065 0.000 0.855 73 E CA 0.216 56.644 56.400 0.047 0.000 1.048 73 E CB 1.104 30.826 29.700 0.036 0.000 1.037 73 E HN 0.212 8.612 8.360 0.067 0.000 0.499 74 H N 3.291 122.362 119.070 0.003 0.000 3.094 74 H HA 0.043 nan 4.556 nan 0.000 0.320 74 H C -0.299 175.031 175.328 0.004 0.000 1.000 74 H CA -0.224 55.826 56.048 0.003 0.000 1.413 74 H CB 0.790 30.554 29.762 0.003 0.000 1.405 74 H HN 0.051 8.443 8.280 0.188 0.000 0.586 75 P HA -0.240 nan 4.420 nan 0.000 0.216 75 P C 0.465 177.848 177.300 0.139 0.000 1.150 75 P CA 2.620 65.738 63.100 0.029 0.000 0.837 75 P CB 0.159 31.825 31.700 -0.057 0.000 0.786 76 A N -1.997 121.018 122.820 0.325 0.000 1.883 76 A HA -0.302 nan 4.320 nan 0.000 0.217 76 A C 1.787 179.443 177.584 0.120 0.000 1.186 76 A CA 3.091 55.255 52.037 0.213 0.000 0.624 76 A CB -1.075 18.047 19.000 0.204 0.000 0.822 76 A HN -0.467 7.994 8.150 0.519 0.000 0.444 77 A N -2.195 120.704 122.820 0.131 0.000 1.908 77 A HA -0.354 nan 4.320 nan 0.000 0.218 77 A C 2.202 179.819 177.584 0.056 0.000 1.181 77 A CA 3.188 55.261 52.037 0.060 0.000 0.627 77 A CB -0.922 18.115 19.000 0.062 0.000 0.818 77 A HN -0.162 8.134 8.150 0.244 0.000 0.445 78 K N -1.739 118.702 120.400 0.069 0.000 2.063 78 K HA -0.388 nan 4.320 nan 0.000 0.208 78 K C 2.523 179.147 176.600 0.040 0.000 1.048 78 K CA 3.117 59.431 56.287 0.045 0.000 0.928 78 K CB -0.201 32.323 32.500 0.039 0.000 0.713 78 K HN -0.282 7.958 8.250 0.096 0.067 0.442 79 M N -0.428 119.202 119.600 0.049 0.000 2.159 79 M HA -0.299 nan 4.480 nan 0.000 0.263 79 M C 2.276 178.599 176.300 0.038 0.000 1.063 79 M CA 2.643 57.969 55.300 0.044 0.000 1.110 79 M CB -0.306 32.324 32.600 0.050 0.000 1.374 79 M HN 0.001 8.250 8.290 0.063 0.078 0.411 80 M N -0.285 119.335 119.600 0.034 0.000 2.117 80 M HA -0.269 nan 4.480 nan 0.000 0.262 80 M C 2.013 178.325 176.300 0.021 0.000 1.065 80 M CA 3.059 58.373 55.300 0.023 0.000 1.114 80 M CB -0.440 32.168 32.600 0.013 0.000 1.361 80 M HN -0.162 8.076 8.290 0.039 0.076 0.408 81 V N -1.079 118.848 119.914 0.021 0.000 2.515 81 V HA -0.478 nan 4.120 nan 0.000 0.250 81 V C 1.650 177.755 176.094 0.018 0.000 1.058 81 V CA 3.970 66.280 62.300 0.016 0.000 1.064 81 V CB -1.344 30.488 31.823 0.015 0.000 0.675 81 V HN -0.227 7.902 8.190 0.024 0.075 0.461 82 E N -0.419 119.796 120.200 0.025 0.000 2.118 82 E HA -0.405 nan 4.350 nan 0.000 0.195 82 E C 2.006 178.628 176.600 0.036 0.000 0.992 82 E CA 3.654 60.071 56.400 0.028 0.000 0.804 82 E CB -0.018 29.703 29.700 0.034 0.000 0.741 82 E HN -0.154 8.119 8.360 0.027 0.103 0.458 83 V N -0.044 119.892 119.914 0.036 0.000 2.219 83 V HA -0.406 nan 4.120 nan 0.000 0.248 83 V C 2.035 178.152 176.094 0.038 0.000 1.053 83 V CA 4.135 66.460 62.300 0.042 0.000 1.009 83 V CB -0.829 31.012 31.823 0.030 0.000 0.636 83 V HN -0.847 7.256 8.190 0.032 0.107 0.445 84 S N -1.364 114.349 115.700 0.022 0.000 2.389 84 S HA -0.488 nan 4.470 nan 0.000 0.229 84 S C 1.949 176.553 174.600 0.006 0.000 1.048 84 S CA 3.999 62.206 58.200 0.012 0.000 1.117 84 S CB -0.502 62.701 63.200 0.004 0.000 1.020 84 S HN -0.632 7.689 8.310 0.019 0.000 0.430 85 K N -0.717 119.682 120.400 -0.002 0.000 2.074 85 K HA -0.376 nan 4.320 nan 0.000 0.209 85 K C 2.435 179.016 176.600 -0.032 0.000 1.048 85 K CA 3.404 59.676 56.287 -0.026 0.000 0.926 85 K CB -0.414 32.070 32.500 -0.028 0.000 0.713 85 K HN -0.636 7.616 8.250 0.003 0.000 0.444 86 T N 1.410 115.978 114.554 0.025 0.000 2.708 86 T HA -0.248 nan 4.350 nan 0.000 0.266 86 T C 1.772 176.590 174.700 0.197 0.000 1.037 86 T CA 4.594 66.756 62.100 0.103 0.000 1.146 86 T CB -0.552 68.445 68.868 0.217 0.000 0.865 86 T HN -0.477 7.786 8.240 0.039 0.000 0.435 87 Q N 1.012 120.899 119.800 0.144 0.000 2.084 87 Q HA -0.332 nan 4.340 nan 0.000 0.202 87 Q C 1.853 177.896 176.000 0.072 0.000 0.978 87 Q CA 3.393 59.278 55.803 0.137 0.000 0.844 87 Q CB -0.411 28.370 28.738 0.070 0.000 0.898 87 Q HN -0.160 8.169 8.270 0.098 0.000 0.426 88 D N -1.027 119.372 120.400 -0.002 0.000 2.097 88 D HA -0.247 nan 4.640 nan 0.000 0.195 88 D C 2.130 178.341 176.300 -0.148 0.000 0.989 88 D CA 2.777 56.733 54.000 -0.074 0.000 0.827 88 D CB -0.111 40.640 40.800 -0.083 0.000 0.966 88 D HN -0.242 8.128 8.370 0.004 0.003 0.456 89 S N -1.390 114.191 115.700 -0.199 0.000 2.359 89 S HA -0.245 nan 4.470 nan 0.000 0.222 89 S C 1.851 176.201 174.600 -0.417 0.000 1.038 89 S CA 2.916 60.885 58.200 -0.386 0.000 1.051 89 S CB 0.304 63.141 63.200 -0.605 0.000 0.944 89 S HN -0.198 7.841 8.310 -0.152 0.179 0.433 90 F N -1.875 118.041 119.950 -0.058 0.000 2.128 90 F HA -0.169 nan 4.527 nan 0.000 0.295 90 F C 1.810 177.585 175.800 -0.042 0.000 1.100 90 F CA 3.276 61.252 58.000 -0.041 0.000 1.260 90 F CB 0.052 39.040 39.000 -0.020 0.000 1.009 90 F HN -0.392 7.809 8.300 -0.164 0.000 0.476 91 V N -4.457 115.542 119.914 0.143 0.000 2.627 91 V HA 0.029 nan 4.120 nan 0.000 0.239 91 V C 0.199 176.297 176.094 0.007 0.000 1.077 91 V CA 0.705 63.052 62.300 0.079 0.000 1.103 91 V CB 1.589 33.466 31.823 0.090 0.000 0.802 91 V HN -0.417 7.866 8.190 0.155 0.000 0.482 92 G N -1.089 107.686 108.800 -0.042 0.000 2.278 92 G HA2 -0.295 nan 3.960 nan 0.000 0.210 92 G HA3 -0.295 nan 3.960 nan 0.000 0.210 92 G C -2.108 172.778 174.900 -0.023 0.000 1.000 92 G CA 0.123 45.158 45.100 -0.110 0.000 0.635 92 G HN -0.477 7.802 8.290 -0.018 0.000 0.495 93 D N -0.072 120.343 120.400 0.024 0.000 2.787 93 D HA 0.124 nan 4.640 nan 0.000 0.246 93 D C -0.672 175.646 176.300 0.030 0.000 1.150 93 D CA -1.149 52.872 54.000 0.035 0.000 0.864 93 D CB 1.785 42.620 40.800 0.058 0.000 1.481 93 D HN -0.678 7.655 8.370 0.034 0.057 0.509 94 G N 4.029 112.842 108.800 0.021 0.000 2.159 94 G HA2 -0.181 nan 3.960 nan 0.000 0.170 94 G HA3 -0.181 nan 3.960 nan 0.000 0.170 94 G C 0.211 175.119 174.900 0.013 0.000 1.007 94 G CA 0.426 45.537 45.100 0.019 0.000 0.672 94 G HN 0.283 8.583 8.290 0.017 0.000 0.507 95 T N -2.934 111.625 114.554 0.008 0.000 2.904 95 T HA -0.181 nan 4.350 nan 0.000 0.267 95 T C 1.793 176.493 174.700 0.001 0.000 1.059 95 T CA 2.549 64.652 62.100 0.006 0.000 1.137 95 T CB -0.695 68.172 68.868 -0.001 0.000 0.879 95 T HN 0.222 8.466 8.240 0.006 0.000 0.467 96 T N 3.343 117.896 114.554 -0.002 0.000 2.821 96 T HA -0.198 nan 4.350 nan 0.000 0.267 96 T C 1.627 176.319 174.700 -0.013 0.000 1.046 96 T CA 4.547 66.643 62.100 -0.007 0.000 1.139 96 T CB -0.620 68.244 68.868 -0.007 0.000 0.871 96 T HN 0.337 8.577 8.240 0.000 0.000 0.454 97 T N 4.224 118.772 114.554 -0.010 0.000 2.708 97 T HA -0.225 nan 4.350 nan 0.000 0.266 97 T C 1.331 176.017 174.700 -0.023 0.000 1.037 97 T CA 4.574 66.663 62.100 -0.017 0.000 1.146 97 T CB -0.660 68.203 68.868 -0.009 0.000 0.865 97 T HN -0.204 7.954 8.240 -0.004 0.080 0.435 98 A N 0.474 123.288 122.820 -0.011 0.000 1.883 98 A HA -0.247 nan 4.320 nan 0.000 0.217 98 A C 1.740 179.312 177.584 -0.020 0.000 1.186 98 A CA 3.360 55.391 52.037 -0.010 0.000 0.624 98 A CB -0.845 18.161 19.000 0.010 0.000 0.822 98 A HN -0.032 8.117 8.150 -0.002 0.000 0.444 99 V N -0.313 119.591 119.914 -0.016 0.000 2.295 99 V HA -0.472 nan 4.120 nan 0.000 0.246 99 V C 1.888 177.962 176.094 -0.033 0.000 1.049 99 V CA 4.411 66.701 62.300 -0.018 0.000 1.024 99 V CB -0.737 31.079 31.823 -0.012 0.000 0.648 99 V HN -0.670 7.514 8.190 -0.010 0.000 0.447 100 I N -1.069 119.478 120.570 -0.038 0.000 2.208 100 I HA -0.618 nan 4.170 nan 0.000 0.245 100 I C 1.909 177.980 176.117 -0.076 0.000 1.097 100 I CA 4.481 65.751 61.300 -0.051 0.000 1.363 100 I CB -0.259 37.712 38.000 -0.048 0.000 1.051 100 I HN -0.348 7.843 8.210 -0.032 0.000 0.413 101 I N -0.652 119.862 120.570 -0.093 0.000 2.286 101 I HA -0.533 nan 4.170 nan 0.000 0.245 101 I C 1.356 177.382 176.117 -0.152 0.000 1.104 101 I CA 4.186 65.394 61.300 -0.153 0.000 1.397 101 I CB -0.366 37.532 38.000 -0.171 0.000 1.072 101 I HN -0.498 7.661 8.210 -0.075 0.006 0.417 102 A N -0.897 121.869 122.820 -0.090 0.000 1.978 102 A HA -0.310 nan 4.320 nan 0.000 0.220 102 A C 2.362 179.919 177.584 -0.044 0.000 1.170 102 A CA 3.331 55.335 52.037 -0.054 0.000 0.636 102 A CB -1.034 17.956 19.000 -0.017 0.000 0.810 102 A HN 0.170 8.278 8.150 -0.070 0.000 0.448 103 G N -2.365 106.405 108.800 -0.050 0.000 2.394 103 G HA2 -0.294 nan 3.960 nan 0.000 0.215 103 G HA3 -0.294 nan 3.960 nan 0.000 0.215 103 G C 0.906 175.776 174.900 -0.049 0.000 1.165 103 G CA 1.350 46.426 45.100 -0.039 0.000 0.784 103 G HN -0.079 8.169 8.290 -0.054 0.010 0.535 104 G N 2.153 110.902 108.800 -0.085 0.000 2.545 104 G HA2 -0.318 nan 3.960 nan 0.000 0.217 104 G HA3 -0.318 nan 3.960 nan 0.000 0.217 104 G C 1.050 175.892 174.900 -0.096 0.000 1.218 104 G CA 1.997 47.035 45.100 -0.105 0.000 0.787 104 G HN -0.301 7.867 8.290 -0.095 0.065 0.571 105 L N 1.320 122.441 121.223 -0.171 0.000 2.034 105 L HA -0.331 nan 4.340 nan 0.000 0.217 105 L C 2.586 179.535 176.870 0.131 0.000 1.077 105 L CA 2.919 57.672 54.840 -0.145 0.000 0.769 105 L CB -0.730 41.167 42.059 -0.269 0.000 0.890 105 L HN 0.265 8.359 8.230 -0.228 0.000 0.435 106 L N -2.103 119.167 121.223 0.078 0.000 2.056 106 L HA -0.360 nan 4.340 nan 0.000 0.207 106 L C 2.453 179.359 176.870 0.059 0.000 1.078 106 L CA 2.971 57.864 54.840 0.088 0.000 0.749 106 L CB -0.660 41.425 42.059 0.043 0.000 0.901 106 L HN -0.531 7.707 8.230 0.018 0.004 0.433 107 Q N -1.149 118.668 119.800 0.028 0.000 2.119 107 Q HA -0.372 nan 4.340 nan 0.000 0.201 107 Q C 2.589 178.610 176.000 0.035 0.000 0.972 107 Q CA 3.280 59.093 55.803 0.016 0.000 0.847 107 Q CB -0.000 28.735 28.738 -0.005 0.000 0.903 107 Q HN 0.378 8.472 8.270 0.011 0.182 0.433 108 Q N -1.277 118.558 119.800 0.058 0.000 2.046 108 Q HA -0.261 nan 4.340 nan 0.000 0.200 108 Q C 2.385 178.453 176.000 0.114 0.000 0.975 108 Q CA 2.424 58.280 55.803 0.087 0.000 0.836 108 Q CB -0.286 28.518 28.738 0.109 0.000 0.896 108 Q HN 0.343 8.635 8.270 0.048 0.007 0.428 109 A N -0.916 122.001 122.820 0.162 0.000 2.024 109 A HA -0.351 nan 4.320 nan 0.000 0.220 109 A C 2.119 179.716 177.584 0.023 0.000 1.164 109 A CA 2.909 54.988 52.037 0.071 0.000 0.643 109 A CB -0.938 18.085 19.000 0.039 0.000 0.806 109 A HN 0.369 8.547 8.150 0.225 0.107 0.451 110 Q N -1.112 118.707 119.800 0.032 0.000 2.096 110 Q HA -0.291 nan 4.340 nan 0.000 0.204 110 Q C 2.555 178.561 176.000 0.009 0.000 0.982 110 Q CA 2.988 58.797 55.803 0.011 0.000 0.850 110 Q CB -0.479 28.266 28.738 0.011 0.000 0.901 110 Q HN -0.166 8.022 8.270 0.050 0.112 0.422 111 G N -0.932 107.880 108.800 0.019 0.000 2.434 111 G HA2 -0.256 nan 3.960 nan 0.000 0.214 111 G HA3 -0.256 nan 3.960 nan 0.000 0.214 111 G C 1.641 176.548 174.900 0.012 0.000 1.202 111 G CA 1.465 46.575 45.100 0.017 0.000 0.788 111 G HN -0.419 7.776 8.290 0.031 0.113 0.539 112 L N 2.045 123.279 121.223 0.018 0.000 2.089 112 L HA -0.483 nan 4.340 nan 0.000 0.213 112 L C 2.171 179.034 176.870 -0.012 0.000 1.079 112 L CA 2.832 57.675 54.840 0.006 0.000 0.758 112 L CB -0.323 41.736 42.059 0.000 0.000 0.891 112 L HN -0.499 7.750 8.230 0.032 0.000 0.433 113 I N -1.753 118.804 120.570 -0.022 0.000 2.361 113 I HA -0.541 nan 4.170 nan 0.000 0.251 113 I C 2.169 178.272 176.117 -0.023 0.000 1.133 113 I CA 3.607 64.886 61.300 -0.035 0.000 1.413 113 I CB -0.434 37.541 38.000 -0.041 0.000 1.073 113 I HN 0.583 8.663 8.210 -0.017 0.120 0.424 114 N N 0.325 119.018 118.700 -0.012 0.000 2.244 114 N HA -0.188 nan 4.740 nan 0.000 0.183 114 N C 0.864 176.371 175.510 -0.005 0.000 1.016 114 N CA 2.449 55.494 53.050 -0.008 0.000 0.866 114 N CB -0.386 38.100 38.487 -0.003 0.000 0.980 114 N HN -0.007 8.240 8.380 -0.008 0.128 0.430 115 Q N -2.318 117.480 119.800 -0.003 0.000 2.253 115 Q HA 0.145 nan 4.340 nan 0.000 0.210 115 Q C -0.918 175.083 176.000 0.001 0.000 0.907 115 Q CA -0.531 55.272 55.803 0.001 0.000 0.948 115 Q CB -0.489 28.253 28.738 0.005 0.000 1.033 115 Q HN -0.694 7.437 8.270 -0.003 0.137 0.471 116 N N -3.559 115.139 118.700 -0.004 0.000 2.754 116 N HA -0.437 nan 4.740 nan 0.000 0.248 116 N C -1.272 174.245 175.510 0.010 0.000 1.093 116 N CA 1.058 54.108 53.050 -0.001 0.000 0.699 116 N CB -0.479 38.012 38.487 0.007 0.000 1.016 116 N HN -0.587 7.688 8.380 -0.010 0.099 0.552 117 V N -1.697 118.217 119.914 0.001 0.000 2.461 117 V HA 0.148 nan 4.120 nan 0.000 0.275 117 V C -0.132 175.970 176.094 0.014 0.000 1.047 117 V CA -0.470 61.838 62.300 0.014 0.000 0.955 117 V CB 0.413 32.234 31.823 -0.003 0.000 0.988 117 V HN -0.737 7.430 8.190 -0.011 0.017 0.471 118 H N 9.672 128.722 119.070 -0.035 0.000 2.886 118 H HA 0.117 nan 4.556 nan 0.000 0.329 118 H C -1.167 174.128 175.328 -0.054 0.000 1.044 118 H CA -1.598 54.428 56.048 -0.036 0.000 1.456 118 H CB 1.186 30.931 29.762 -0.029 0.000 1.464 118 H HN 0.175 8.542 8.280 0.145 0.000 0.573 119 P HA -0.234 nan 4.420 nan 0.000 0.224 119 P C 0.389 177.712 177.300 0.039 0.000 1.142 119 P CA 2.270 65.305 63.100 -0.108 0.000 0.778 119 P CB 0.020 31.612 31.700 -0.180 0.000 0.764 120 T N 0.589 115.328 114.554 0.307 0.000 2.852 120 T HA -0.101 nan 4.350 nan 0.000 0.256 120 T C 1.815 176.557 174.700 0.069 0.000 1.038 120 T CA 4.594 66.807 62.100 0.189 0.000 1.141 120 T CB -0.279 68.685 68.868 0.161 0.000 0.869 120 T HN -0.179 8.422 8.240 0.733 0.080 0.439 121 V N 3.166 123.126 119.914 0.076 0.000 2.255 121 V HA -0.423 nan 4.120 nan 0.000 0.247 121 V C 1.521 177.592 176.094 -0.037 0.000 1.051 121 V CA 4.612 66.919 62.300 0.013 0.000 1.018 121 V CB -0.829 31.009 31.823 0.024 0.000 0.641 121 V HN -0.202 8.001 8.190 0.168 0.088 0.445 122 I N -2.401 118.112 120.570 -0.096 0.000 2.208 122 I HA -0.670 nan 4.170 nan 0.000 0.245 122 I C 1.900 177.814 176.117 -0.338 0.000 1.097 122 I CA 4.707 65.834 61.300 -0.289 0.000 1.363 122 I CB -0.538 37.236 38.000 -0.377 0.000 1.051 122 I HN -0.088 8.090 8.210 -0.052 0.000 0.413 123 S N 0.175 115.782 115.700 -0.155 0.000 2.383 123 S HA -0.346 nan 4.470 nan 0.000 0.227 123 S C 2.344 176.966 174.600 0.037 0.000 1.026 123 S CA 3.493 61.670 58.200 -0.038 0.000 0.981 123 S CB -0.317 62.887 63.200 0.006 0.000 0.818 123 S HN -0.433 7.639 8.310 -0.102 0.177 0.472 124 E N 2.203 122.414 120.200 0.018 0.000 2.028 124 E HA -0.293 nan 4.350 nan 0.000 0.191 124 E C 2.490 179.125 176.600 0.057 0.000 0.988 124 E CA 2.941 59.360 56.400 0.032 0.000 0.799 124 E CB -0.086 29.622 29.700 0.014 0.000 0.755 124 E HN -0.037 8.322 8.360 -0.002 0.000 0.447 125 G N -0.664 108.172 108.800 0.059 0.000 2.469 125 G HA2 -0.303 nan 3.960 nan 0.000 0.219 125 G HA3 -0.303 nan 3.960 nan 0.000 0.219 125 G C 1.633 176.660 174.900 0.210 0.000 1.150 125 G CA 2.375 47.542 45.100 0.112 0.000 0.763 125 G HN 0.459 8.762 8.290 0.021 0.000 0.561 126 Y N 1.624 121.945 120.300 0.035 0.000 2.181 126 Y HA -0.228 nan 4.550 nan 0.000 0.288 126 Y C 2.552 178.386 175.900 -0.110 0.000 1.146 126 Y CA 1.040 59.169 58.100 0.049 0.000 1.164 126 Y CB -0.661 37.900 38.460 0.168 0.000 0.982 126 Y HN -0.080 8.358 8.280 0.263 0.000 0.515 127 R N -0.524 120.047 120.500 0.118 0.000 2.073 127 R HA -0.405 nan 4.340 nan 0.000 0.234 127 R C 2.560 178.818 176.300 -0.070 0.000 1.134 127 R CA 3.804 59.914 56.100 0.015 0.000 0.952 127 R CB -0.110 30.212 30.300 0.037 0.000 0.850 127 R HN -0.211 8.077 8.270 0.163 0.079 0.433 128 M N -1.019 118.566 119.600 -0.025 0.000 2.117 128 M HA -0.422 nan 4.480 nan 0.000 0.262 128 M C 1.905 178.140 176.300 -0.108 0.000 1.065 128 M CA 3.856 59.158 55.300 0.002 0.000 1.114 128 M CB 0.075 32.751 32.600 0.125 0.000 1.361 128 M HN 0.328 8.631 8.290 0.022 0.000 0.408 129 A N -1.017 121.671 122.820 -0.220 0.000 1.883 129 A HA -0.391 nan 4.320 nan 0.000 0.217 129 A C 1.949 179.079 177.584 -0.756 0.000 1.186 129 A CA 3.423 55.166 52.037 -0.491 0.000 0.624 129 A CB -1.097 17.456 19.000 -0.745 0.000 0.822 129 A HN 0.350 8.415 8.150 -0.141 0.000 0.444 130 S N -1.336 113.821 115.700 -0.906 0.000 2.359 130 S HA -0.391 nan 4.470 nan 0.000 0.223 130 S C 2.395 176.825 174.600 -0.282 0.000 1.039 130 S CA 3.797 61.665 58.200 -0.553 0.000 1.042 130 S CB -0.394 62.645 63.200 -0.268 0.000 0.915 130 S HN -0.214 7.567 8.310 -0.881 0.000 0.439 131 E N 0.650 120.708 120.200 -0.236 0.000 2.049 131 E HA -0.344 nan 4.350 nan 0.000 0.198 131 E C 2.300 178.764 176.600 -0.228 0.000 1.007 131 E CA 2.933 59.226 56.400 -0.179 0.000 0.809 131 E CB -0.401 29.216 29.700 -0.139 0.000 0.749 131 E HN -0.410 7.810 8.360 -0.234 0.000 0.450 132 E N -0.734 119.257 120.200 -0.347 0.000 2.118 132 E HA -0.290 nan 4.350 nan 0.000 0.195 132 E C 2.207 178.643 176.600 -0.274 0.000 0.992 132 E CA 2.463 58.601 56.400 -0.437 0.000 0.804 132 E CB -0.564 28.643 29.700 -0.822 0.000 0.741 132 E HN -0.294 7.842 8.360 -0.373 0.000 0.458 133 A N -0.806 121.881 122.820 -0.222 0.000 1.902 133 A HA -0.283 nan 4.320 nan 0.000 0.217 133 A C 2.369 179.917 177.584 -0.060 0.000 1.181 133 A CA 3.327 55.309 52.037 -0.091 0.000 0.623 133 A CB -0.703 18.299 19.000 0.003 0.000 0.818 133 A HN 0.399 8.164 8.150 -0.293 0.209 0.443 134 K N -1.931 118.423 120.400 -0.076 0.000 2.097 134 K HA -0.317 nan 4.320 nan 0.000 0.205 134 K C 2.054 178.618 176.600 -0.061 0.000 1.050 134 K CA 3.346 59.602 56.287 -0.053 0.000 0.938 134 K CB -0.140 32.327 32.500 -0.055 0.000 0.718 134 K HN -0.275 7.911 8.250 -0.106 0.000 0.442 135 R N 0.151 120.596 120.500 -0.092 0.000 2.082 135 R HA -0.356 nan 4.340 nan 0.000 0.234 135 R C 2.093 178.352 176.300 -0.069 0.000 1.136 135 R CA 3.554 59.602 56.100 -0.088 0.000 0.935 135 R CB -0.111 30.113 30.300 -0.127 0.000 0.842 135 R HN -0.503 7.695 8.270 -0.120 0.000 0.430 136 V N -0.426 119.442 119.914 -0.078 0.000 2.277 136 V HA -0.479 nan 4.120 nan 0.000 0.253 136 V C 2.042 178.126 176.094 -0.017 0.000 1.067 136 V CA 4.257 66.530 62.300 -0.046 0.000 1.047 136 V CB -0.853 30.947 31.823 -0.038 0.000 0.649 136 V HN 0.034 8.158 8.190 -0.109 0.000 0.447 137 I N -1.377 119.185 120.570 -0.013 0.000 2.208 137 I HA -0.682 nan 4.170 nan 0.000 0.245 137 I C 1.901 178.012 176.117 -0.011 0.000 1.097 137 I CA 3.956 65.257 61.300 0.001 0.000 1.363 137 I CB -0.671 37.333 38.000 0.007 0.000 1.051 137 I HN -0.444 7.754 8.210 -0.021 0.000 0.413 138 D N -1.319 119.068 120.400 -0.022 0.000 2.117 138 D HA -0.327 nan 4.640 nan 0.000 0.197 138 D C 2.611 178.893 176.300 -0.030 0.000 0.987 138 D CA 3.566 57.550 54.000 -0.027 0.000 0.829 138 D CB -0.581 40.201 40.800 -0.030 0.000 0.961 138 D HN -0.352 7.932 8.370 -0.027 0.071 0.460 139 E N 0.107 120.291 120.200 -0.027 0.000 2.007 139 E HA -0.217 nan 4.350 nan 0.000 0.194 139 E C 2.534 179.124 176.600 -0.017 0.000 0.999 139 E CA 2.646 59.033 56.400 -0.023 0.000 0.811 139 E CB 0.324 30.011 29.700 -0.022 0.000 0.762 139 E HN -0.225 8.039 8.360 -0.030 0.077 0.450 140 I N -6.061 114.507 120.570 -0.002 0.000 3.334 140 I HA -0.102 nan 4.170 nan 0.000 0.282 140 I C 0.354 176.460 176.117 -0.019 0.000 1.313 140 I CA 0.982 62.288 61.300 0.011 0.000 1.396 140 I CB -0.382 37.649 38.000 0.052 0.000 1.054 140 I HN 0.151 8.256 8.210 0.001 0.106 0.495 141 S N 2.066 117.737 115.700 -0.048 0.000 2.617 141 S HA -0.001 nan 4.470 nan 0.000 0.255 141 S C 0.156 174.635 174.600 -0.201 0.000 1.318 141 S CA 0.808 58.941 58.200 -0.112 0.000 0.978 141 S CB 1.155 64.299 63.200 -0.094 0.000 0.961 141 S HN -0.565 7.525 8.310 -0.038 0.198 0.582 142 T N 2.041 116.350 114.554 -0.408 0.000 3.109 142 T HA 0.150 nan 4.350 nan 0.000 0.311 142 T C -1.182 173.193 174.700 -0.541 0.000 1.011 142 T CA -0.045 61.748 62.100 -0.512 0.000 1.026 142 T CB 2.643 71.061 68.868 -0.750 0.000 1.047 142 T HN -0.009 7.942 8.240 -0.481 0.000 0.448 143 K N 5.273 125.537 120.400 -0.226 0.000 2.436 143 K HA 0.071 nan 4.320 nan 0.000 0.275 143 K C -0.145 176.453 176.600 -0.003 0.000 0.999 143 K CA 0.520 56.756 56.287 -0.086 0.000 0.980 143 K CB 0.220 32.707 32.500 -0.021 0.000 0.919 143 K HN 0.327 8.479 8.250 -0.164 0.000 0.484 144 I N 3.462 124.104 120.570 0.120 0.000 2.436 144 I HA -0.093 nan 4.170 nan 0.000 0.289 144 I C 0.068 176.281 176.117 0.160 0.000 1.083 144 I CA 0.661 62.114 61.300 0.254 0.000 1.372 144 I CB -0.533 37.615 38.000 0.247 0.000 1.408 144 I HN 0.670 8.840 8.210 0.099 0.100 0.516 145 G N 7.522 116.414 108.800 0.154 0.000 2.624 145 G HA2 0.048 nan 3.960 nan 0.000 0.217 145 G HA3 0.048 nan 3.960 nan 0.000 0.217 145 G C -0.007 174.948 174.900 0.092 0.000 1.506 145 G CA -0.487 44.676 45.100 0.104 0.000 1.072 145 G HN 0.149 8.561 8.290 0.204 0.000 0.568 146 A N -1.711 121.151 122.820 0.071 0.000 2.209 146 A HA 0.025 nan 4.320 nan 0.000 0.212 146 A C 0.751 178.364 177.584 0.049 0.000 1.158 146 A CA 1.721 53.795 52.037 0.061 0.000 0.742 146 A CB -0.256 18.773 19.000 0.048 0.000 0.790 146 A HN 0.233 8.422 8.150 0.064 0.000 0.472 147 D N -1.523 118.904 120.400 0.044 0.000 2.323 147 D HA -0.077 nan 4.640 nan 0.000 0.239 147 D C 0.949 177.246 176.300 -0.004 0.000 1.129 147 D CA 0.601 54.608 54.000 0.011 0.000 0.865 147 D CB -1.415 39.388 40.800 0.004 0.000 0.913 147 D HN 0.186 8.518 8.370 0.061 0.074 0.517 148 E N 1.375 121.595 120.200 0.034 0.000 2.149 148 E HA -0.591 nan 4.350 nan 0.000 0.215 148 E C 1.130 177.711 176.600 -0.030 0.000 1.055 148 E CA 3.486 59.910 56.400 0.040 0.000 0.870 148 E CB -0.078 29.678 29.700 0.093 0.000 0.764 148 E HN -0.472 7.813 8.360 0.059 0.110 0.463 149 K N -1.292 119.060 120.400 -0.080 0.000 1.977 149 K HA -0.342 nan 4.320 nan 0.000 0.218 149 K C 1.982 178.344 176.600 -0.397 0.000 1.051 149 K CA 3.123 59.212 56.287 -0.330 0.000 0.953 149 K CB -0.739 31.621 32.500 -0.233 0.000 0.727 149 K HN 0.061 8.292 8.250 -0.022 0.005 0.445 150 A N -2.161 120.517 122.820 -0.236 0.000 2.015 150 A HA -0.116 nan 4.320 nan 0.000 0.219 150 A C 2.761 180.233 177.584 -0.187 0.000 1.163 150 A CA 2.559 54.474 52.037 -0.203 0.000 0.646 150 A CB -1.115 17.804 19.000 -0.135 0.000 0.806 150 A HN -0.312 7.737 8.150 -0.168 0.000 0.448 151 L N -0.765 120.357 121.223 -0.169 0.000 1.988 151 L HA -0.418 nan 4.340 nan 0.000 0.207 151 L C 2.099 178.857 176.870 -0.185 0.000 1.071 151 L CA 3.308 58.024 54.840 -0.206 0.000 0.744 151 L CB -0.120 41.831 42.059 -0.181 0.000 0.893 151 L HN 0.315 8.444 8.230 -0.140 0.017 0.433 152 L N -2.061 119.082 121.223 -0.133 0.000 2.079 152 L HA -0.437 nan 4.340 nan 0.000 0.210 152 L C 2.496 179.310 176.870 -0.094 0.000 1.081 152 L CA 3.051 57.851 54.840 -0.067 0.000 0.752 152 L CB -0.645 41.446 42.059 0.054 0.000 0.896 152 L HN 0.263 8.310 8.230 -0.124 0.109 0.433 153 L N -1.047 120.053 121.223 -0.204 0.000 2.046 153 L HA -0.396 nan 4.340 nan 0.000 0.208 153 L C 1.949 178.757 176.870 -0.104 0.000 1.077 153 L CA 3.149 57.887 54.840 -0.170 0.000 0.747 153 L CB -1.092 40.825 42.059 -0.236 0.000 0.896 153 L HN 0.294 8.277 8.230 -0.294 0.070 0.432 154 K N -1.117 119.210 120.400 -0.121 0.000 2.097 154 K HA -0.395 nan 4.320 nan 0.000 0.206 154 K C 2.686 179.242 176.600 -0.073 0.000 1.049 154 K CA 3.449 59.677 56.287 -0.098 0.000 0.933 154 K CB -0.269 32.153 32.500 -0.130 0.000 0.717 154 K HN -0.200 7.852 8.250 -0.152 0.107 0.442 155 M N -0.847 118.706 119.600 -0.079 0.000 2.077 155 M HA -0.412 nan 4.480 nan 0.000 0.261 155 M C 1.827 178.126 176.300 -0.003 0.000 1.070 155 M CA 3.786 59.063 55.300 -0.037 0.000 1.125 155 M CB -0.001 32.584 32.600 -0.026 0.000 1.339 155 M HN -0.087 8.057 8.290 -0.107 0.082 0.409 156 A N -1.623 121.198 122.820 0.003 0.000 1.903 156 A HA -0.464 nan 4.320 nan 0.000 0.219 156 A C 2.206 179.800 177.584 0.017 0.000 1.191 156 A CA 3.246 55.296 52.037 0.022 0.000 0.638 156 A CB -1.098 17.919 19.000 0.030 0.000 0.823 156 A HN 0.123 8.269 8.150 -0.007 0.000 0.451 157 Q N -2.551 117.249 119.800 0.001 0.000 2.020 157 Q HA -0.418 nan 4.340 nan 0.000 0.202 157 Q C 2.760 178.774 176.000 0.023 0.000 0.982 157 Q CA 3.450 59.256 55.803 0.006 0.000 0.838 157 Q CB 0.014 28.746 28.738 -0.010 0.000 0.899 157 Q HN 0.007 8.269 8.270 -0.014 -0.000 0.423 158 T N 2.438 117.006 114.554 0.022 0.000 2.699 158 T HA -0.398 nan 4.350 nan 0.000 0.268 158 T C 1.849 176.573 174.700 0.040 0.000 1.036 158 T CA 4.740 66.863 62.100 0.038 0.000 1.147 158 T CB -0.805 68.080 68.868 0.027 0.000 0.862 158 T HN -0.383 7.861 8.240 0.007 0.000 0.446 159 S N 1.356 117.077 115.700 0.036 0.000 2.353 159 S HA -0.325 nan 4.470 nan 0.000 0.222 159 S C 2.271 176.895 174.600 0.041 0.000 1.035 159 S CA 3.343 61.567 58.200 0.041 0.000 1.025 159 S CB -0.131 63.098 63.200 0.047 0.000 0.902 159 S HN -0.593 7.731 8.310 0.031 0.005 0.440 160 L N 0.634 121.880 121.223 0.039 0.000 2.265 160 L HA -0.416 nan 4.340 nan 0.000 0.215 160 L C 1.370 178.266 176.870 0.043 0.000 1.117 160 L CA 2.245 57.108 54.840 0.037 0.000 0.782 160 L CB -0.390 41.686 42.059 0.029 0.000 0.914 160 L HN -0.396 7.797 8.230 0.035 0.058 0.441 161 N N -2.174 116.559 118.700 0.055 0.000 2.223 161 N HA -0.300 nan 4.740 nan 0.000 0.185 161 N C 1.216 176.770 175.510 0.073 0.000 1.016 161 N CA 2.911 56.010 53.050 0.082 0.000 0.863 161 N CB 0.076 38.635 38.487 0.120 0.000 0.983 161 N HN 0.050 8.300 8.380 0.051 0.161 0.429 162 S N -1.696 114.033 115.700 0.049 0.000 2.395 162 S HA -0.054 nan 4.470 nan 0.000 0.225 162 S C 0.362 174.981 174.600 0.033 0.000 1.027 162 S CA 1.911 60.131 58.200 0.034 0.000 0.965 162 S CB 0.448 63.661 63.200 0.021 0.000 0.812 162 S HN -0.609 7.711 8.310 0.045 0.017 0.482 163 K N 0.843 121.264 120.400 0.034 0.000 2.138 163 K HA 0.154 nan 4.320 nan 0.000 0.251 163 K C 1.058 177.677 176.600 0.032 0.000 1.015 163 K CA -0.947 55.359 56.287 0.031 0.000 0.917 163 K CB 0.351 32.870 32.500 0.032 0.000 1.021 163 K HN -0.935 7.337 8.250 0.037 0.000 0.485 164 S N 1.902 117.619 115.700 0.029 0.000 2.507 164 S HA -0.156 nan 4.470 nan 0.000 0.235 164 S C 1.299 175.914 174.600 0.025 0.000 0.988 164 S CA 3.085 61.302 58.200 0.027 0.000 0.944 164 S CB -0.330 62.885 63.200 0.025 0.000 0.762 164 S HN 0.783 9.110 8.310 0.028 0.000 0.526 165 A N 0.918 123.754 122.820 0.025 0.000 2.216 165 A HA -0.100 nan 4.320 nan 0.000 0.214 165 A C 1.594 179.190 177.584 0.020 0.000 1.160 165 A CA 1.621 53.671 52.037 0.022 0.000 0.725 165 A CB -0.977 18.036 19.000 0.023 0.000 0.784 165 A HN 0.263 8.371 8.150 0.027 0.058 0.472 166 S N -0.124 115.591 115.700 0.025 0.000 2.380 166 S HA -0.434 nan 4.470 nan 0.000 0.229 166 S C 2.078 176.683 174.600 0.010 0.000 1.043 166 S CA 3.411 61.625 58.200 0.024 0.000 1.038 166 S CB -0.665 62.558 63.200 0.038 0.000 0.872 166 S HN -0.346 7.917 8.310 0.030 0.065 0.456 167 V N 1.560 121.480 119.914 0.010 0.000 2.311 167 V HA -0.279 nan 4.120 nan 0.000 0.256 167 V C 0.683 176.776 176.094 -0.003 0.000 1.077 167 V CA 2.528 64.829 62.300 0.002 0.000 1.067 167 V CB -0.562 31.265 31.823 0.006 0.000 0.659 167 V HN -0.505 7.684 8.190 0.015 0.010 0.451 168 A N -4.618 118.202 122.820 0.001 0.000 2.674 168 A HA 0.453 nan 4.320 nan 0.000 0.286 168 A C -0.421 177.163 177.584 -0.001 0.000 0.980 168 A CA -0.659 51.377 52.037 -0.002 0.000 1.028 168 A CB 0.088 19.088 19.000 0.001 0.000 1.199 168 A HN 0.083 8.098 8.150 0.006 0.138 0.499 169 K N 0.053 120.453 120.400 -0.001 0.000 2.103 169 K HA -0.389 nan 4.320 nan 0.000 0.207 169 K C 1.176 177.773 176.600 -0.005 0.000 1.048 169 K CA 3.545 59.833 56.287 0.002 0.000 0.930 169 K CB -0.542 31.961 32.500 0.005 0.000 0.716 169 K HN 0.308 8.455 8.250 -0.003 0.101 0.444 170 D N -0.587 119.805 120.400 -0.014 0.000 2.117 170 D HA -0.256 nan 4.640 nan 0.000 0.197 170 D C 2.222 178.516 176.300 -0.011 0.000 0.987 170 D CA 3.814 57.803 54.000 -0.019 0.000 0.829 170 D CB -0.457 40.328 40.800 -0.025 0.000 0.961 170 D HN 0.308 8.653 8.370 -0.016 0.015 0.460 171 K N 0.329 120.726 120.400 -0.006 0.000 2.044 171 K HA -0.119 nan 4.320 nan 0.000 0.204 171 K C 2.318 178.921 176.600 0.004 0.000 1.049 171 K CA 2.448 58.735 56.287 -0.001 0.000 0.945 171 K CB 0.057 32.556 32.500 -0.002 0.000 0.724 171 K HN -0.834 7.412 8.250 -0.007 0.000 0.440 172 L N -1.340 119.885 121.223 0.004 0.000 2.079 172 L HA -0.370 nan 4.340 nan 0.000 0.210 172 L C 2.197 179.076 176.870 0.013 0.000 1.081 172 L CA 2.900 57.744 54.840 0.007 0.000 0.752 172 L CB -0.424 41.641 42.059 0.009 0.000 0.896 172 L HN 0.108 8.339 8.230 0.003 0.000 0.433 173 A N -1.420 121.409 122.820 0.015 0.000 1.898 173 A HA -0.328 nan 4.320 nan 0.000 0.216 173 A C 1.965 179.580 177.584 0.052 0.000 1.181 173 A CA 3.310 55.361 52.037 0.024 0.000 0.620 173 A CB -1.061 17.941 19.000 0.005 0.000 0.819 173 A HN 0.344 8.494 8.150 0.008 0.006 0.442 174 E N -0.428 119.797 120.200 0.041 0.000 2.051 174 E HA -0.281 nan 4.350 nan 0.000 0.192 174 E C 2.178 178.835 176.600 0.094 0.000 0.991 174 E CA 2.387 58.835 56.400 0.080 0.000 0.799 174 E CB -0.445 29.280 29.700 0.041 0.000 0.748 174 E HN -0.713 7.658 8.360 0.019 0.000 0.449 175 I N -0.812 119.779 120.570 0.035 0.000 2.226 175 I HA -0.571 nan 4.170 nan 0.000 0.245 175 I C 2.152 178.254 176.117 -0.025 0.000 1.100 175 I CA 4.073 65.372 61.300 -0.003 0.000 1.374 175 I CB -0.273 37.717 38.000 -0.016 0.000 1.057 175 I HN 0.035 8.259 8.210 0.025 0.000 0.413 176 S N 0.478 116.177 115.700 -0.002 0.000 2.368 176 S HA -0.329 nan 4.470 nan 0.000 0.225 176 S C 1.716 176.300 174.600 -0.027 0.000 1.030 176 S CA 4.026 62.213 58.200 -0.022 0.000 0.999 176 S CB -0.438 62.770 63.200 0.013 0.000 0.844 176 S HN 0.303 8.514 8.310 0.016 0.109 0.459 177 Y N 2.454 122.710 120.300 -0.074 0.000 2.163 177 Y HA -0.417 nan 4.550 nan 0.000 0.288 177 Y C 1.516 177.363 175.900 -0.090 0.000 1.136 177 Y CA 3.091 61.143 58.100 -0.080 0.000 1.147 177 Y CB 0.096 38.517 38.460 -0.064 0.000 0.987 177 Y HN 0.097 8.368 8.280 0.167 0.109 0.509 178 E N -0.600 119.454 120.200 -0.243 0.000 2.038 178 E HA -0.516 nan 4.350 nan 0.000 0.195 178 E C 2.305 178.720 176.600 -0.309 0.000 1.000 178 E CA 3.670 59.888 56.400 -0.303 0.000 0.803 178 E CB -0.338 29.307 29.700 -0.092 0.000 0.750 178 E HN 0.408 8.674 8.360 0.029 0.112 0.448 179 A N -1.072 121.609 122.820 -0.232 0.000 1.873 179 A HA -0.289 nan 4.320 nan 0.000 0.218 179 A C 2.386 179.785 177.584 -0.308 0.000 1.193 179 A CA 3.363 55.254 52.037 -0.244 0.000 0.629 179 A CB -0.662 18.203 19.000 -0.224 0.000 0.826 179 A HN -0.003 8.041 8.150 -0.177 0.000 0.447 180 V N -1.094 118.618 119.914 -0.337 0.000 2.307 180 V HA -0.449 nan 4.120 nan 0.000 0.245 180 V C 2.162 178.058 176.094 -0.330 0.000 1.045 180 V CA 4.321 66.410 62.300 -0.352 0.000 1.024 180 V CB -0.981 30.669 31.823 -0.288 0.000 0.651 180 V HN -0.431 7.577 8.190 -0.303 0.000 0.449 181 K N -1.200 118.948 120.400 -0.421 0.000 2.089 181 K HA -0.371 nan 4.320 nan 0.000 0.210 181 K C 3.210 179.669 176.600 -0.236 0.000 1.048 181 K CA 2.663 58.713 56.287 -0.395 0.000 0.926 181 K CB -0.852 31.262 32.500 -0.644 0.000 0.714 181 K HN -0.216 7.718 8.250 -0.527 0.000 0.448 182 S N -0.663 114.893 115.700 -0.240 0.000 2.348 182 S HA -0.294 nan 4.470 nan 0.000 0.221 182 S C 1.059 175.576 174.600 -0.139 0.000 1.033 182 S CA 3.137 61.239 58.200 -0.163 0.000 1.010 182 S CB 0.541 63.643 63.200 -0.163 0.000 0.891 182 S HN -0.302 7.833 8.310 -0.293 -0.001 0.442 183 V N -7.840 111.962 119.914 -0.186 0.000 3.573 183 V HA 0.223 nan 4.120 nan 0.000 0.270 183 V C -0.478 175.498 176.094 -0.196 0.000 1.221 183 V CA -0.760 61.429 62.300 -0.185 0.000 1.163 183 V CB -0.520 31.159 31.823 -0.240 0.000 0.847 183 V HN -0.866 7.186 8.190 -0.231 0.000 0.468 184 A N 0.435 123.171 122.820 -0.140 0.000 2.347 184 A HA 0.105 nan 4.320 nan 0.000 0.287 184 A C -0.947 176.699 177.584 0.103 0.000 1.199 184 A CA -0.475 51.531 52.037 -0.051 0.000 0.851 184 A CB 0.103 19.094 19.000 -0.015 0.000 1.118 184 A HN -0.571 7.420 8.150 -0.138 0.076 0.525 185 E N 4.834 125.091 120.200 0.095 0.000 2.115 185 E HA 0.082 nan 4.350 nan 0.000 0.282 185 E C -1.391 175.351 176.600 0.237 0.000 0.987 185 E CA -1.209 55.334 56.400 0.239 0.000 0.797 185 E CB 2.126 32.105 29.700 0.464 0.000 1.086 185 E HN 0.465 8.753 8.360 -0.120 0.000 0.397 186 L N 6.519 127.738 121.223 -0.005 0.000 2.356 186 L HA 0.066 nan 4.340 nan 0.000 0.282 186 L C -0.774 176.022 176.870 -0.124 0.000 1.132 186 L CA -0.349 54.305 54.840 -0.310 0.000 0.923 186 L CB -0.250 41.432 42.059 -0.627 0.000 1.278 186 L HN 0.607 8.839 8.230 0.003 0.000 0.436 187 R N 6.085 126.561 120.500 -0.040 0.000 1.967 187 R HA 0.015 nan 4.340 nan 0.000 0.184 187 R C 1.035 177.304 176.300 -0.052 0.000 1.350 187 R CA 1.853 57.933 56.100 -0.034 0.000 1.232 187 R CB 0.406 30.688 30.300 -0.030 0.000 0.813 187 R HN 0.497 8.773 8.270 0.008 0.000 0.512 188 D N -0.062 120.316 120.400 -0.037 0.000 2.941 188 D HA -0.094 nan 4.640 nan 0.000 0.236 188 D C 0.362 176.639 176.300 -0.037 0.000 1.147 188 D CA 0.653 54.635 54.000 -0.031 0.000 0.975 188 D CB -1.941 38.848 40.800 -0.018 0.000 1.162 188 D HN -0.050 8.304 8.370 -0.026 0.000 0.444 189 G N -1.277 107.481 108.800 -0.070 0.000 2.175 189 G HA2 -0.452 nan 3.960 nan 0.000 0.265 189 G HA3 -0.452 nan 3.960 nan 0.000 0.265 189 G C -1.311 173.536 174.900 -0.088 0.000 0.979 189 G CA 0.493 45.543 45.100 -0.084 0.000 0.663 189 G HN 0.010 8.180 8.290 -0.083 0.071 0.533 190 K N -1.237 119.119 120.400 -0.074 0.000 2.316 190 K HA 0.351 nan 4.320 nan 0.000 0.251 190 K C -1.603 175.006 176.600 0.015 0.000 0.934 190 K CA -1.734 54.559 56.287 0.009 0.000 0.802 190 K CB 2.298 34.831 32.500 0.055 0.000 1.171 190 K HN -0.454 7.777 8.250 -0.074 -0.025 0.426 191 Y N 0.927 121.285 120.300 0.096 0.000 2.307 191 Y HA 0.218 nan 4.550 nan 0.000 0.324 191 Y C -0.204 175.808 175.900 0.186 0.000 1.238 191 Y CA -0.094 58.077 58.100 0.118 0.000 1.280 191 Y CB 1.697 40.202 38.460 0.075 0.000 1.248 191 Y HN 0.059 8.565 8.280 0.377 0.000 0.508 192 Y N -1.396 119.044 120.300 0.233 0.000 2.396 192 Y HA 0.418 nan 4.550 nan 0.000 0.332 192 Y C -2.813 173.171 175.900 0.140 0.000 1.034 192 Y CA -1.251 56.939 58.100 0.150 0.000 1.057 192 Y CB 2.712 41.232 38.460 0.099 0.000 1.220 192 Y HN 0.605 9.043 8.280 0.429 0.100 0.440 193 V N 6.991 126.763 119.914 -0.235 0.000 2.350 193 V HA 0.262 nan 4.120 nan 0.000 0.285 193 V C -1.582 174.410 176.094 -0.170 0.000 1.014 193 V CA -1.078 61.051 62.300 -0.285 0.000 0.831 193 V CB 0.262 32.074 31.823 -0.018 0.000 1.000 193 V HN 0.346 8.880 8.190 0.024 -0.330 0.433 194 D N 6.648 126.844 120.400 -0.340 0.000 2.347 194 D HA 0.110 nan 4.640 nan 0.000 0.235 194 D C 0.449 176.783 176.300 0.056 0.000 1.149 194 D CA -1.618 52.363 54.000 -0.031 0.000 0.850 194 D CB 1.128 41.926 40.800 -0.003 0.000 1.061 194 D HN 0.185 8.209 8.370 -0.576 0.000 0.487 195 F N 4.792 124.695 119.950 -0.078 0.000 2.546 195 F HA -0.197 nan 4.527 nan 0.000 0.298 195 F C 0.874 176.646 175.800 -0.046 0.000 1.120 195 F CA 1.443 59.399 58.000 -0.074 0.000 1.456 195 F CB 0.048 39.023 39.000 -0.041 0.000 1.088 195 F HN 0.350 8.941 8.300 0.485 0.000 0.572 196 D N -1.747 118.727 120.400 0.122 0.000 2.358 196 D HA -0.164 nan 4.640 nan 0.000 0.241 196 D C 0.298 176.600 176.300 0.004 0.000 1.094 196 D CA 1.255 55.294 54.000 0.064 0.000 0.907 196 D CB -1.515 39.327 40.800 0.069 0.000 0.893 196 D HN -0.521 8.106 8.370 0.142 -0.172 0.528 197 N N -3.115 115.556 118.700 -0.048 0.000 2.171 197 N HA 0.182 nan 4.740 nan 0.000 0.212 197 N C -1.601 173.823 175.510 -0.144 0.000 1.184 197 N CA 0.723 53.719 53.050 -0.090 0.000 0.888 197 N CB 2.745 41.166 38.487 -0.109 0.000 1.038 197 N HN -0.566 7.664 8.380 -0.065 0.111 0.517 198 I N -0.467 119.998 120.570 -0.175 0.000 2.437 198 I HA 0.238 nan 4.170 nan 0.000 0.279 198 I C -2.133 173.908 176.117 -0.126 0.000 1.028 198 I CA -0.961 60.208 61.300 -0.217 0.000 1.142 198 I CB 0.356 38.112 38.000 -0.406 0.000 1.266 198 I HN -0.160 7.796 8.210 -0.137 0.172 0.461 199 Q N 8.965 128.702 119.800 -0.104 0.000 2.294 199 Q HA 0.219 nan 4.340 nan 0.000 0.257 199 Q C -2.074 173.881 176.000 -0.076 0.000 0.955 199 Q CA -0.933 54.828 55.803 -0.070 0.000 0.936 199 Q CB 1.115 29.807 28.738 -0.076 0.000 1.188 199 Q HN 0.600 8.797 8.270 -0.122 0.000 0.420 200 V N 6.392 126.282 119.914 -0.041 0.000 2.378 200 V HA 0.639 nan 4.120 nan 0.000 0.288 200 V C -1.014 175.067 176.094 -0.022 0.000 1.016 200 V CA -1.241 61.038 62.300 -0.035 0.000 0.840 200 V CB 0.308 32.126 31.823 -0.009 0.000 0.994 200 V HN 0.249 8.429 8.190 -0.017 0.000 0.431 201 V N 7.910 127.804 119.914 -0.033 0.000 2.715 201 V HA 0.444 nan 4.120 nan 0.000 0.310 201 V C -1.815 174.273 176.094 -0.011 0.000 1.054 201 V CA -1.731 60.558 62.300 -0.019 0.000 0.928 201 V CB 4.022 35.830 31.823 -0.025 0.000 1.007 201 V HN 1.024 9.185 8.190 -0.049 0.000 0.437 202 K N 2.759 123.158 120.400 -0.002 0.000 2.376 202 K HA 0.788 nan 4.320 nan 0.000 0.257 202 K C -1.624 174.978 176.600 0.003 0.000 0.939 202 K CA -1.439 54.847 56.287 -0.001 0.000 0.809 202 K CB 1.859 34.356 32.500 -0.005 0.000 1.121 202 K HN 0.142 8.392 8.250 0.001 0.000 0.425 203 K N 5.477 125.881 120.400 0.007 0.000 2.578 203 K HA 0.351 nan 4.320 nan 0.000 0.250 203 K C -1.386 175.216 176.600 0.003 0.000 0.955 203 K CA -1.032 55.261 56.287 0.009 0.000 0.825 203 K CB 3.214 35.728 32.500 0.024 0.000 1.151 203 K HN 0.658 8.912 8.250 0.006 0.000 0.432 204 Q N 4.386 124.184 119.800 -0.004 0.000 2.631 204 Q HA 0.148 nan 4.340 nan 0.000 0.210 204 Q C 1.352 177.349 176.000 -0.004 0.000 1.094 204 Q CA 0.468 56.269 55.803 -0.004 0.000 1.055 204 Q CB 0.313 29.047 28.738 -0.007 0.000 1.261 204 Q HN 0.554 8.821 8.270 -0.006 0.000 0.615 205 G N -2.745 106.053 108.800 -0.003 0.000 2.132 205 G HA2 -0.392 nan 3.960 nan 0.000 0.228 205 G HA3 -0.392 nan 3.960 nan 0.000 0.228 205 G C -1.323 173.574 174.900 -0.005 0.000 1.000 205 G CA -0.397 44.699 45.100 -0.006 0.000 0.693 205 G HN 0.183 8.474 8.290 0.000 0.000 0.515 206 G N -1.654 107.146 108.800 -0.000 0.000 2.704 206 G HA2 0.264 nan 3.960 nan 0.000 0.293 206 G HA3 0.264 nan 3.960 nan 0.000 0.293 206 G C -2.022 172.880 174.900 0.004 0.000 1.421 206 G CA -0.451 44.650 45.100 0.001 0.000 0.870 206 G HN -0.833 7.458 8.290 0.002 0.000 0.492 207 A N 0.575 123.397 122.820 0.004 0.000 2.327 207 A HA 0.170 nan 4.320 nan 0.000 0.255 207 A C 1.274 178.861 177.584 0.005 0.000 1.099 207 A CA -0.786 51.254 52.037 0.004 0.000 0.801 207 A CB 1.120 20.122 19.000 0.003 0.000 1.062 207 A HN 0.020 8.418 8.150 0.003 -0.247 0.496 208 I N 0.182 120.756 120.570 0.006 0.000 2.179 208 I HA -0.484 nan 4.170 nan 0.000 0.242 208 I C 0.672 176.791 176.117 0.004 0.000 1.088 208 I CA 3.966 65.269 61.300 0.006 0.000 1.357 208 I CB -0.605 37.400 38.000 0.007 0.000 1.051 208 I HN 0.559 8.772 8.210 0.006 0.000 0.409 209 D N -0.929 119.473 120.400 0.003 0.000 2.271 209 D HA -0.306 nan 4.640 nan 0.000 0.207 209 D C 1.684 177.986 176.300 0.003 0.000 0.983 209 D CA 3.373 57.373 54.000 0.001 0.000 0.878 209 D CB -1.578 39.222 40.800 -0.000 0.000 0.920 209 D HN 0.414 8.785 8.370 0.003 0.000 0.479 210 D N -2.524 117.879 120.400 0.004 0.000 2.363 210 D HA -0.031 nan 4.640 nan 0.000 0.220 210 D C 0.380 176.684 176.300 0.008 0.000 0.994 210 D CA 0.676 54.680 54.000 0.007 0.000 0.890 210 D CB 0.057 40.861 40.800 0.008 0.000 0.906 210 D HN -0.506 7.681 8.370 0.004 0.185 0.530 211 T N 2.012 116.568 114.554 0.004 0.000 2.902 211 T HA -0.100 nan 4.350 nan 0.000 0.301 211 T C -0.692 174.006 174.700 -0.004 0.000 1.012 211 T CA 2.234 64.334 62.100 -0.000 0.000 1.151 211 T CB -0.008 68.859 68.868 -0.002 0.000 0.946 211 T HN -0.264 7.801 8.240 0.003 0.177 0.542 212 Q N 4.716 124.511 119.800 -0.009 0.000 2.501 212 Q HA 0.333 nan 4.340 nan 0.000 0.288 212 Q C -2.222 173.755 176.000 -0.039 0.000 1.051 212 Q CA -1.834 53.960 55.803 -0.014 0.000 0.788 212 Q CB 3.661 32.401 28.738 0.002 0.000 1.469 212 Q HN 0.156 8.419 8.270 -0.011 0.000 0.416 213 L N 1.685 122.882 121.223 -0.043 0.000 2.272 213 L HA 0.529 nan 4.340 nan 0.000 0.289 213 L C -1.210 175.614 176.870 -0.075 0.000 1.032 213 L CA -0.665 54.134 54.840 -0.069 0.000 0.810 213 L CB 0.858 42.880 42.059 -0.062 0.000 1.205 213 L HN 0.317 8.530 8.230 -0.029 0.000 0.422 214 I N 7.090 127.588 120.570 -0.119 0.000 2.355 214 I HA 0.139 nan 4.170 nan 0.000 0.288 214 I C -1.554 174.481 176.117 -0.135 0.000 0.999 214 I CA -2.735 58.481 61.300 -0.140 0.000 1.163 214 I CB 0.670 38.495 38.000 -0.292 0.000 1.316 214 I HN 1.085 9.096 8.210 -0.139 0.116 0.454 215 N N 8.871 127.518 118.700 -0.088 0.000 2.406 215 N HA -0.031 nan 4.740 nan 0.000 0.265 215 N C -1.053 174.408 175.510 -0.082 0.000 1.203 215 N CA 1.296 54.300 53.050 -0.078 0.000 0.945 215 N CB 0.105 38.562 38.487 -0.049 0.000 1.165 215 N HN 0.584 8.928 8.380 -0.061 0.000 0.485 216 G N 1.300 110.039 108.800 -0.101 0.000 2.340 216 G HA2 -0.085 nan 3.960 nan 0.000 0.282 216 G HA3 -0.085 nan 3.960 nan 0.000 0.282 216 G C -2.587 172.239 174.900 -0.123 0.000 1.312 216 G CA -0.342 44.702 45.100 -0.093 0.000 0.942 216 G HN -0.458 7.766 8.290 -0.109 0.000 0.495 217 I N 0.542 121.049 120.570 -0.106 0.000 2.411 217 I HA 0.442 nan 4.170 nan 0.000 0.284 217 I C -1.053 174.990 176.117 -0.123 0.000 1.012 217 I CA -2.396 58.841 61.300 -0.105 0.000 1.119 217 I CB 0.885 38.853 38.000 -0.053 0.000 1.261 217 I HN -0.188 7.976 8.210 -0.076 0.000 0.448 218 I N 7.585 128.030 120.570 -0.209 0.000 2.428 218 I HA 0.323 nan 4.170 nan 0.000 0.289 218 I C -0.614 175.481 176.117 -0.036 0.000 1.019 218 I CA 0.056 61.222 61.300 -0.224 0.000 1.351 218 I CB 0.526 38.249 38.000 -0.463 0.000 1.412 218 I HN -0.330 7.748 8.210 -0.221 0.000 0.513 219 V N 6.816 126.778 119.914 0.080 0.000 2.604 219 V HA 0.202 nan 4.120 nan 0.000 0.305 219 V C -1.547 174.626 176.094 0.132 0.000 1.043 219 V CA -1.891 60.462 62.300 0.089 0.000 0.888 219 V CB 2.657 34.538 31.823 0.097 0.000 0.995 219 V HN 0.915 9.201 8.190 0.161 0.000 0.429 220 D N 7.346 127.805 120.400 0.098 0.000 2.558 220 D HA 0.100 nan 4.640 nan 0.000 0.221 220 D C -1.191 175.169 176.300 0.099 0.000 1.143 220 D CA -0.123 53.940 54.000 0.104 0.000 1.010 220 D CB -1.095 39.747 40.800 0.071 0.000 1.068 220 D HN 0.374 8.786 8.370 0.070 0.000 0.511 221 K N 1.930 122.405 120.400 0.126 0.000 2.557 221 K HA 0.165 nan 4.320 nan 0.000 0.257 221 K C -2.400 174.280 176.600 0.134 0.000 0.933 221 K CA -1.289 55.064 56.287 0.110 0.000 0.820 221 K CB 3.487 36.047 32.500 0.099 0.000 1.330 221 K HN -0.432 7.875 8.250 0.160 0.039 0.432 222 E N 0.173 120.429 120.200 0.093 0.000 2.243 222 E HA 0.370 nan 4.350 nan 0.000 0.260 222 E C -0.710 175.853 176.600 -0.061 0.000 0.985 222 E CA -2.031 54.407 56.400 0.063 0.000 0.858 222 E CB 1.781 31.522 29.700 0.068 0.000 1.210 222 E HN 0.007 8.409 8.360 0.070 0.000 0.411 223 K N -2.587 117.679 120.400 -0.222 0.000 2.489 223 K HA -0.206 nan 4.320 nan 0.000 0.278 223 K C 0.436 176.908 176.600 -0.213 0.000 1.000 223 K CA 0.764 56.796 56.287 -0.426 0.000 1.012 223 K CB 0.285 32.346 32.500 -0.732 0.000 0.903 223 K HN -0.023 8.472 8.250 -0.183 -0.355 0.485 224 V N 1.540 121.357 119.914 -0.161 0.000 3.026 224 V HA -0.263 nan 4.120 nan 0.000 0.265 224 V C -1.386 174.712 176.094 0.007 0.000 1.121 224 V CA 1.386 63.650 62.300 -0.061 0.000 1.142 224 V CB -0.240 31.560 31.823 -0.039 0.000 0.730 224 V HN 0.406 8.472 8.190 -0.207 0.000 0.503 225 H N -2.466 116.519 119.070 -0.142 0.000 2.954 225 H HA 0.409 nan 4.556 nan 0.000 0.361 225 H C -2.021 173.236 175.328 -0.117 0.000 1.122 225 H CA -2.019 53.965 56.048 -0.107 0.000 1.217 225 H CB 2.813 32.523 29.762 -0.085 0.000 1.776 225 H HN -0.776 7.409 8.280 -0.057 0.061 0.533 226 P HA -0.205 nan 4.420 nan 0.000 0.217 226 P C -0.221 176.961 177.300 -0.196 0.000 1.148 226 P CA 2.032 64.911 63.100 -0.368 0.000 0.834 226 P CB 0.279 31.728 31.700 -0.418 0.000 0.783 227 G N -5.312 103.465 108.800 -0.038 0.000 2.920 227 G HA2 -0.048 nan 3.960 nan 0.000 0.208 227 G HA3 -0.048 nan 3.960 nan 0.000 0.208 227 G C -0.187 174.785 174.900 0.120 0.000 1.159 227 G CA -0.645 44.554 45.100 0.164 0.000 0.784 227 G HN -0.286 7.786 8.290 -0.298 0.039 0.535 228 M N 2.125 121.775 119.600 0.085 0.000 2.243 228 M HA 0.150 nan 4.480 nan 0.000 0.341 228 M C -1.662 174.651 176.300 0.021 0.000 1.130 228 M CA -0.894 54.412 55.300 0.010 0.000 1.162 228 M CB -0.011 32.528 32.600 -0.101 0.000 1.497 228 M HN -0.347 7.940 8.290 0.078 0.050 0.456 229 P HA -0.058 nan 4.420 nan 0.000 0.272 229 P C -1.071 176.346 177.300 0.193 0.000 1.223 229 P CA 0.161 63.328 63.100 0.112 0.000 0.784 229 P CB 0.474 32.241 31.700 0.111 0.000 0.923 230 D N -1.028 119.442 120.400 0.116 0.000 2.347 230 D HA -0.043 nan 4.640 nan 0.000 0.213 230 D C -0.472 175.887 176.300 0.098 0.000 0.985 230 D CA 1.695 55.771 54.000 0.127 0.000 0.879 230 D CB 0.530 41.353 40.800 0.038 0.000 0.919 230 D HN 0.069 8.479 8.370 0.066 0.000 0.526 231 V N -2.620 117.327 119.914 0.056 0.000 2.924 231 V HA 0.503 nan 4.120 nan 0.000 0.300 231 V C -2.334 173.745 176.094 -0.025 0.000 1.227 231 V CA -1.386 60.898 62.300 -0.025 0.000 0.954 231 V CB 3.653 35.462 31.823 -0.023 0.000 1.055 231 V HN -0.904 7.289 8.190 0.075 0.043 0.429 232 V N 2.222 122.090 119.914 -0.077 0.000 2.638 232 V HA 0.646 nan 4.120 nan 0.000 0.306 232 V C -2.446 173.618 176.094 -0.051 0.000 1.052 232 V CA -2.637 59.634 62.300 -0.049 0.000 0.885 232 V CB 3.698 35.488 31.823 -0.056 0.000 0.999 232 V HN 1.076 9.185 8.190 -0.135 0.000 0.424 233 K N 4.492 124.876 120.400 -0.027 0.000 2.123 233 K HA 0.459 nan 4.320 nan 0.000 0.259 233 K C -0.269 176.320 176.600 -0.018 0.000 0.960 233 K CA -1.147 55.127 56.287 -0.022 0.000 0.872 233 K CB 1.436 33.928 32.500 -0.013 0.000 1.079 233 K HN 0.350 8.590 8.250 -0.017 0.000 0.440 234 D N -0.248 120.142 120.400 -0.016 0.000 3.038 234 D HA -0.448 nan 4.640 nan 0.000 0.229 234 D C -1.044 175.248 176.300 -0.013 0.000 1.182 234 D CA 1.437 55.430 54.000 -0.012 0.000 0.852 234 D CB -1.507 39.289 40.800 -0.007 0.000 0.932 234 D HN 0.494 8.762 8.370 -0.016 0.092 0.406 235 A N -1.171 121.637 122.820 -0.019 0.000 2.331 235 A HA 0.155 nan 4.320 nan 0.000 0.283 235 A C -1.468 176.111 177.584 -0.008 0.000 1.142 235 A CA -0.187 51.839 52.037 -0.019 0.000 0.812 235 A CB 1.407 20.383 19.000 -0.040 0.000 1.074 235 A HN -0.032 8.105 8.150 -0.022 0.000 0.497 236 K N 3.409 123.809 120.400 0.000 0.000 2.354 236 K HA 0.286 nan 4.320 nan 0.000 0.257 236 K C -1.186 175.421 176.600 0.012 0.000 1.062 236 K CA -1.404 54.887 56.287 0.006 0.000 0.971 236 K CB 0.181 32.686 32.500 0.008 0.000 1.305 236 K HN 0.353 8.604 8.250 0.002 0.000 0.449 237 I N 5.748 126.324 120.570 0.011 0.000 2.421 237 I HA -0.028 nan 4.170 nan 0.000 0.291 237 I C -1.326 174.806 176.117 0.024 0.000 1.089 237 I CA 0.366 61.677 61.300 0.019 0.000 1.354 237 I CB 0.250 38.258 38.000 0.014 0.000 1.413 237 I HN 0.284 8.399 8.210 0.006 0.099 0.513 238 A N 9.783 132.622 122.820 0.032 0.000 2.260 238 A HA 0.498 nan 4.320 nan 0.000 0.312 238 A C -2.121 175.484 177.584 0.035 0.000 1.321 238 A CA -1.254 50.802 52.037 0.030 0.000 0.928 238 A CB 1.025 20.043 19.000 0.031 0.000 1.158 238 A HN 1.137 9.196 8.150 0.040 0.115 0.542 239 L N 5.242 126.484 121.223 0.030 0.000 2.262 239 L HA 0.620 nan 4.340 nan 0.000 0.288 239 L C -1.674 175.213 176.870 0.029 0.000 1.035 239 L CA -1.196 53.663 54.840 0.031 0.000 0.820 239 L CB 0.685 42.761 42.059 0.028 0.000 1.204 239 L HN 0.466 8.711 8.230 0.026 0.000 0.424 240 L N 2.516 123.757 121.223 0.030 0.000 2.334 240 L HA 0.539 nan 4.340 nan 0.000 0.272 240 L C -0.780 176.106 176.870 0.025 0.000 1.020 240 L CA -1.072 53.785 54.840 0.027 0.000 0.812 240 L CB 1.545 43.620 42.059 0.028 0.000 1.264 240 L HN 0.306 8.556 8.230 0.034 0.000 0.439 241 D N 0.009 120.423 120.400 0.023 0.000 2.720 241 D HA 0.227 nan 4.640 nan 0.000 0.285 241 D C -1.779 174.533 176.300 0.020 0.000 1.359 241 D CA -1.039 52.974 54.000 0.021 0.000 0.818 241 D CB 0.823 41.634 40.800 0.019 0.000 1.108 241 D HN 0.648 8.930 8.370 0.022 0.101 0.474 242 A N -0.875 121.958 122.820 0.021 0.000 2.539 242 A HA 0.555 nan 4.320 nan 0.000 0.296 242 A C -3.473 174.124 177.584 0.022 0.000 1.073 242 A CA -2.642 49.407 52.037 0.020 0.000 0.700 242 A CB 1.969 20.982 19.000 0.021 0.000 1.296 242 A HN -0.688 7.399 8.150 0.023 0.077 0.405 243 P HA 0.436 nan 4.420 nan 0.000 0.284 243 P C -1.350 175.965 177.300 0.025 0.000 1.258 243 P CA -0.925 62.188 63.100 0.021 0.000 0.824 243 P CB 0.904 32.615 31.700 0.018 0.000 1.038 244 L N 2.984 124.223 121.223 0.026 0.000 2.302 244 L HA 0.197 nan 4.340 nan 0.000 0.285 244 L C -1.175 175.715 176.870 0.034 0.000 1.090 244 L CA -0.467 54.393 54.840 0.034 0.000 0.866 244 L CB -2.256 39.825 42.059 0.037 0.000 1.244 244 L HN -0.026 8.218 8.230 0.023 0.000 0.435 245 E N 2.209 122.431 120.200 0.036 0.000 2.423 245 E HA 0.085 nan 4.350 nan 0.000 0.280 245 E C -1.390 175.234 176.600 0.041 0.000 1.030 245 E CA -1.231 55.191 56.400 0.036 0.000 0.812 245 E CB 4.110 33.826 29.700 0.026 0.000 1.313 245 E HN -0.369 8.013 8.360 0.036 0.000 0.456 246 I N -2.534 118.062 120.570 0.043 0.000 2.648 246 I HA -0.026 nan 4.170 nan 0.000 0.284 246 I C -0.381 175.758 176.117 0.036 0.000 1.153 246 I CA 0.318 61.645 61.300 0.044 0.000 1.426 246 I CB 0.049 38.077 38.000 0.046 0.000 1.381 246 I HN 0.129 8.364 8.210 0.041 0.000 0.571 247 K N 7.056 127.478 120.400 0.037 0.000 2.262 247 K HA 0.026 nan 4.320 nan 0.000 0.282 247 K C -0.609 176.013 176.600 0.036 0.000 1.066 247 K CA -0.881 55.427 56.287 0.034 0.000 0.901 247 K CB 0.246 32.767 32.500 0.035 0.000 1.089 247 K HN 0.264 8.538 8.250 0.040 0.000 0.476 248 K N 6.004 126.423 120.400 0.032 0.000 2.234 248 K HA 0.277 nan 4.320 nan 0.000 0.282 248 K C -2.041 174.584 176.600 0.042 0.000 1.039 248 K CA -1.893 54.413 56.287 0.033 0.000 0.928 248 K CB 0.286 32.800 32.500 0.022 0.000 1.039 248 K HN 0.203 8.469 8.250 0.027 0.000 0.470 249 P HA -0.023 nan 4.420 nan 0.000 0.271 249 P C -1.034 176.316 177.300 0.083 0.000 1.233 249 P CA -0.090 63.062 63.100 0.087 0.000 0.795 249 P CB 0.716 32.483 31.700 0.111 0.000 0.936 250 E N -1.304 118.962 120.200 0.110 0.000 2.318 250 E HA -0.044 nan 4.350 nan 0.000 0.193 250 E C 0.143 176.712 176.600 -0.052 0.000 0.998 250 E CA 1.336 57.747 56.400 0.018 0.000 0.859 250 E CB 0.175 29.866 29.700 -0.015 0.000 0.812 250 E HN 0.368 8.829 8.360 0.168 0.000 0.492 251 F N -0.221 119.730 119.950 0.003 0.000 2.370 251 F HA 0.097 nan 4.527 nan 0.000 0.324 251 F C -0.235 175.564 175.800 -0.002 0.000 1.116 251 F CA -1.178 56.823 58.000 0.001 0.000 1.123 251 F CB 1.164 40.165 39.000 0.003 0.000 1.238 251 F HN -0.679 7.818 8.300 0.385 0.033 0.536 252 D N 3.210 123.714 120.400 0.174 0.000 2.383 252 D HA -0.110 nan 4.640 nan 0.000 0.275 252 D C -0.833 175.527 176.300 0.099 0.000 1.344 252 D CA 0.990 55.047 54.000 0.095 0.000 0.984 252 D CB -0.654 40.190 40.800 0.073 0.000 1.104 252 D HN 0.124 8.607 8.370 0.189 0.000 0.524 253 T N 4.889 119.484 114.554 0.068 0.000 2.824 253 T HA 0.234 nan 4.350 nan 0.000 0.280 253 T C -0.765 173.936 174.700 0.003 0.000 0.995 253 T CA -0.752 61.373 62.100 0.042 0.000 1.009 253 T CB 1.634 70.529 68.868 0.046 0.000 0.955 253 T HN -0.045 8.229 8.240 0.057 0.000 0.452 254 N N 2.861 121.550 118.700 -0.017 0.000 2.264 254 N HA 0.184 nan 4.740 nan 0.000 0.288 254 N C -1.416 174.039 175.510 -0.092 0.000 1.094 254 N CA 0.174 53.193 53.050 -0.051 0.000 0.817 254 N CB 2.938 41.404 38.487 -0.034 0.000 1.604 254 N HN 0.108 8.483 8.380 -0.008 0.000 0.473 255 L N 1.952 123.072 121.223 -0.173 0.000 2.292 255 L HA 0.178 nan 4.340 nan 0.000 0.284 255 L C 0.055 176.797 176.870 -0.212 0.000 1.065 255 L CA -0.785 53.867 54.840 -0.314 0.000 0.806 255 L CB 0.429 42.120 42.059 -0.615 0.000 1.175 255 L HN 0.358 8.490 8.230 -0.164 0.000 0.431 256 R N 5.169 125.592 120.500 -0.128 0.000 2.275 256 R HA 0.231 nan 4.340 nan 0.000 0.326 256 R C -0.876 175.440 176.300 0.026 0.000 0.973 256 R CA -0.348 55.729 56.100 -0.038 0.000 0.854 256 R CB 0.568 30.870 30.300 0.003 0.000 1.156 256 R HN 0.237 8.446 8.270 -0.102 0.000 0.487 257 I N 6.358 126.940 120.570 0.020 0.000 2.330 257 I HA 0.142 nan 4.170 nan 0.000 0.289 257 I C 0.106 176.263 176.117 0.066 0.000 1.001 257 I CA 0.077 61.435 61.300 0.097 0.000 1.193 257 I CB 1.209 39.264 38.000 0.093 0.000 1.345 257 I HN 0.516 8.715 8.210 -0.019 0.000 0.461 258 E N 6.126 126.369 120.200 0.073 0.000 2.473 258 E HA 0.009 nan 4.350 nan 0.000 0.204 258 E C -0.998 175.627 176.600 0.043 0.000 0.994 258 E CA 0.181 56.608 56.400 0.046 0.000 0.945 258 E CB 0.809 30.532 29.700 0.039 0.000 0.990 258 E HN 0.543 8.961 8.360 0.097 0.000 0.493 259 D N 0.245 120.677 120.400 0.055 0.000 2.408 259 D HA 0.370 nan 4.640 nan 0.000 0.243 259 D C -0.802 175.527 176.300 0.049 0.000 1.075 259 D CA -3.102 50.923 54.000 0.042 0.000 0.832 259 D CB 1.873 42.693 40.800 0.033 0.000 1.162 259 D HN -0.611 7.806 8.370 0.077 0.000 0.515 260 P HA -0.162 nan 4.420 nan 0.000 0.220 260 P C 1.019 178.342 177.300 0.040 0.000 1.144 260 P CA 1.450 64.573 63.100 0.038 0.000 0.800 260 P CB 0.362 32.078 31.700 0.026 0.000 0.772 261 S N -0.144 115.573 115.700 0.029 0.000 2.406 261 S HA -0.186 nan 4.470 nan 0.000 0.228 261 S C 1.837 176.447 174.600 0.017 0.000 1.020 261 S CA 2.760 60.970 58.200 0.016 0.000 0.965 261 S CB -0.164 63.036 63.200 -0.000 0.000 0.798 261 S HN -0.039 8.551 8.310 0.025 -0.265 0.488 262 M N 0.636 120.257 119.600 0.036 0.000 2.202 262 M HA -0.262 nan 4.480 nan 0.000 0.262 262 M C 1.909 178.298 176.300 0.147 0.000 1.063 262 M CA 1.600 56.917 55.300 0.029 0.000 1.097 262 M CB -1.087 31.593 32.600 0.135 0.000 1.382 262 M HN -0.295 8.025 8.290 0.050 0.000 0.413 263 I N -0.893 119.784 120.570 0.178 0.000 2.194 263 I HA -0.612 nan 4.170 nan 0.000 0.246 263 I C 1.863 178.070 176.117 0.150 0.000 1.093 263 I CA 4.011 65.426 61.300 0.192 0.000 1.355 263 I CB -0.715 37.350 38.000 0.109 0.000 1.046 263 I HN -0.670 7.592 8.210 0.130 0.026 0.413 264 Q N -1.246 118.601 119.800 0.078 0.000 2.187 264 Q HA -0.295 nan 4.340 nan 0.000 0.199 264 Q C 2.246 178.264 176.000 0.030 0.000 0.957 264 Q CA 3.137 58.970 55.803 0.051 0.000 0.857 264 Q CB -0.176 28.577 28.738 0.025 0.000 0.929 264 Q HN -0.454 7.852 8.270 0.059 0.000 0.453 265 K N 0.249 120.633 120.400 -0.027 0.000 2.097 265 K HA -0.328 nan 4.320 nan 0.000 0.206 265 K C 2.737 179.265 176.600 -0.120 0.000 1.049 265 K CA 3.430 59.644 56.287 -0.122 0.000 0.933 265 K CB -0.230 32.125 32.500 -0.241 0.000 0.717 265 K HN -0.813 7.340 8.250 -0.024 0.083 0.442 266 F N -0.337 119.618 119.950 0.008 0.000 2.113 266 F HA -0.278 nan 4.527 nan 0.000 0.297 266 F C 2.000 177.808 175.800 0.013 0.000 1.103 266 F CA 3.901 61.907 58.000 0.010 0.000 1.248 266 F CB -0.178 38.828 39.000 0.009 0.000 0.999 266 F HN 0.179 8.505 8.300 0.043 0.000 0.475 267 L N -1.740 119.607 121.223 0.207 0.000 2.127 267 L HA -0.498 nan 4.340 nan 0.000 0.211 267 L C 2.112 179.036 176.870 0.090 0.000 1.089 267 L CA 3.041 57.955 54.840 0.123 0.000 0.757 267 L CB -0.456 41.657 42.059 0.090 0.000 0.899 267 L HN -0.431 7.931 8.230 0.220 0.000 0.434 268 A N -1.497 121.362 122.820 0.066 0.000 1.872 268 A HA -0.335 nan 4.320 nan 0.000 0.214 268 A C 2.072 179.682 177.584 0.044 0.000 1.187 268 A CA 3.168 55.230 52.037 0.043 0.000 0.614 268 A CB -0.845 18.164 19.000 0.014 0.000 0.826 268 A HN 0.251 8.429 8.150 0.061 0.008 0.442 269 Q N -1.276 118.550 119.800 0.044 0.000 2.096 269 Q HA -0.370 nan 4.340 nan 0.000 0.204 269 Q C 2.778 178.821 176.000 0.071 0.000 0.982 269 Q CA 3.097 58.928 55.803 0.047 0.000 0.850 269 Q CB -0.384 28.386 28.738 0.054 0.000 0.901 269 Q HN -0.236 8.056 8.270 0.037 0.000 0.422 270 E N -0.971 119.287 120.200 0.096 0.000 2.106 270 E HA -0.318 nan 4.350 nan 0.000 0.192 270 E C 2.529 179.184 176.600 0.092 0.000 0.984 270 E CA 3.002 59.457 56.400 0.091 0.000 0.806 270 E CB -0.176 29.578 29.700 0.091 0.000 0.750 270 E HN -0.156 8.273 8.360 0.116 0.000 0.458 271 E N -0.589 119.670 120.200 0.098 0.000 2.107 271 E HA -0.288 nan 4.350 nan 0.000 0.191 271 E C 2.393 179.051 176.600 0.096 0.000 0.982 271 E CA 2.710 59.196 56.400 0.142 0.000 0.809 271 E CB -0.193 29.598 29.700 0.151 0.000 0.756 271 E HN -0.594 7.736 8.360 0.089 0.084 0.459 272 N N 0.927 119.651 118.700 0.039 0.000 2.120 272 N HA -0.312 nan 4.740 nan 0.000 0.188 272 N C 2.269 177.776 175.510 -0.005 0.000 1.024 272 N CA 3.657 56.699 53.050 -0.014 0.000 0.852 272 N CB -0.041 38.438 38.487 -0.013 0.000 1.003 272 N HN 0.200 8.608 8.380 0.046 0.000 0.424 273 M N -0.736 118.882 119.600 0.031 0.000 2.108 273 M HA -0.463 nan 4.480 nan 0.000 0.261 273 M C 2.035 178.362 176.300 0.045 0.000 1.066 273 M CA 4.450 59.771 55.300 0.035 0.000 1.107 273 M CB -0.081 32.548 32.600 0.048 0.000 1.356 273 M HN -0.210 8.106 8.290 0.043 0.000 0.406 274 L N -2.142 119.134 121.223 0.088 0.000 2.109 274 L HA -0.327 nan 4.340 nan 0.000 0.207 274 L C 1.772 178.716 176.870 0.122 0.000 1.086 274 L CA 2.812 57.740 54.840 0.146 0.000 0.760 274 L CB -0.425 41.778 42.059 0.240 0.000 0.910 274 L HN -0.694 7.593 8.230 0.102 0.004 0.437 275 R N -0.815 119.661 120.500 -0.041 0.000 2.189 275 R HA -0.368 nan 4.340 nan 0.000 0.223 275 R C 2.424 178.608 176.300 -0.193 0.000 1.092 275 R CA 3.393 59.248 56.100 -0.409 0.000 0.989 275 R CB -0.217 29.697 30.300 -0.643 0.000 0.876 275 R HN 0.298 8.506 8.270 0.004 0.064 0.457 276 E N -0.489 119.660 120.200 -0.085 0.000 2.250 276 E HA -0.191 nan 4.350 nan 0.000 0.192 276 E C 2.030 178.619 176.600 -0.019 0.000 0.986 276 E CA 2.360 58.730 56.400 -0.051 0.000 0.849 276 E CB -0.165 29.516 29.700 -0.033 0.000 0.797 276 E HN 0.151 8.344 8.360 -0.057 0.133 0.482 277 M N 0.966 120.570 119.600 0.007 0.000 2.065 277 M HA -0.414 nan 4.480 nan 0.000 0.259 277 M C 1.998 178.311 176.300 0.020 0.000 1.069 277 M CA 4.656 59.969 55.300 0.023 0.000 1.110 277 M CB 0.081 32.708 32.600 0.044 0.000 1.328 277 M HN -0.424 7.788 8.290 0.015 0.088 0.405 278 V N -1.333 118.599 119.914 0.029 0.000 2.332 278 V HA -0.556 nan 4.120 nan 0.000 0.248 278 V C 1.885 177.977 176.094 -0.003 0.000 1.055 278 V CA 4.571 66.888 62.300 0.028 0.000 1.038 278 V CB -1.197 30.662 31.823 0.060 0.000 0.651 278 V HN -0.383 7.833 8.190 0.043 0.000 0.450 279 D N -0.759 119.623 120.400 -0.030 0.000 2.104 279 D HA -0.319 nan 4.640 nan 0.000 0.194 279 D C 1.987 178.278 176.300 -0.016 0.000 0.994 279 D CA 3.358 57.338 54.000 -0.034 0.000 0.830 279 D CB -0.630 40.140 40.800 -0.050 0.000 0.959 279 D HN -0.484 7.788 8.370 -0.047 0.069 0.452 280 K N 0.296 120.690 120.400 -0.009 0.000 1.987 280 K HA -0.249 nan 4.320 nan 0.000 0.216 280 K C 2.660 179.262 176.600 0.004 0.000 1.051 280 K CA 2.641 58.927 56.287 -0.001 0.000 0.942 280 K CB -0.417 32.085 32.500 0.003 0.000 0.722 280 K HN -0.170 8.074 8.250 -0.010 0.000 0.444 281 I N -0.273 120.303 120.570 0.009 0.000 2.185 281 I HA -0.622 nan 4.170 nan 0.000 0.246 281 I C 1.496 177.619 176.117 0.011 0.000 1.088 281 I CA 3.991 65.299 61.300 0.014 0.000 1.347 281 I CB -0.315 37.698 38.000 0.021 0.000 1.041 281 I HN -0.294 7.923 8.210 0.011 0.000 0.415 282 K N -0.539 119.865 120.400 0.006 0.000 2.025 282 K HA -0.343 nan 4.320 nan 0.000 0.207 282 K C 2.900 179.500 176.600 0.000 0.000 1.049 282 K CA 3.649 59.938 56.287 0.003 0.000 0.933 282 K CB -0.034 32.463 32.500 -0.004 0.000 0.714 282 K HN 0.139 8.322 8.250 0.004 0.070 0.438 283 S N 0.620 116.318 115.700 -0.003 0.000 2.400 283 S HA -0.246 nan 4.470 nan 0.000 0.232 283 S C 1.580 176.180 174.600 -0.000 0.000 1.025 283 S CA 3.126 61.324 58.200 -0.004 0.000 0.993 283 S CB -0.158 63.038 63.200 -0.007 0.000 0.808 283 S HN 0.281 8.395 8.310 -0.005 0.193 0.478 284 V N -0.296 119.620 119.914 0.003 0.000 3.573 284 V HA 0.005 nan 4.120 nan 0.000 0.270 284 V C -0.349 175.748 176.094 0.005 0.000 1.221 284 V CA -0.340 61.962 62.300 0.004 0.000 1.163 284 V CB -1.065 30.762 31.823 0.007 0.000 0.847 284 V HN -0.397 7.776 8.190 0.003 0.019 0.468 285 G N -1.655 107.148 108.800 0.005 0.000 2.141 285 G HA2 -0.284 nan 3.960 nan 0.000 0.242 285 G HA3 -0.284 nan 3.960 nan 0.000 0.242 285 G C -0.945 173.960 174.900 0.010 0.000 0.982 285 G CA -0.059 45.044 45.100 0.006 0.000 0.662 285 G HN -0.126 7.950 8.290 0.004 0.217 0.527 286 A N -1.628 121.200 122.820 0.013 0.000 2.498 286 A HA -0.086 nan 4.320 nan 0.000 0.239 286 A C -0.923 176.675 177.584 0.023 0.000 1.068 286 A CA 0.117 52.166 52.037 0.019 0.000 0.766 286 A CB 0.666 19.679 19.000 0.023 0.000 1.003 286 A HN -0.588 7.569 8.150 0.012 0.000 0.497 287 N N 2.876 121.592 118.700 0.027 0.000 2.397 287 N HA 0.244 nan 4.740 nan 0.000 0.190 287 N C -1.516 174.029 175.510 0.058 0.000 1.099 287 N CA 0.168 53.237 53.050 0.032 0.000 0.876 287 N CB 2.946 41.443 38.487 0.017 0.000 1.143 287 N HN 0.623 8.903 8.380 0.025 0.115 0.468 288 V N -1.753 118.198 119.914 0.061 0.000 2.841 288 V HA 0.560 nan 4.120 nan 0.000 0.310 288 V C -1.906 174.242 176.094 0.091 0.000 1.090 288 V CA -0.778 61.585 62.300 0.105 0.000 0.930 288 V CB 3.919 35.782 31.823 0.067 0.000 1.014 288 V HN -0.558 7.659 8.190 0.044 0.000 0.425 289 V N 5.981 125.962 119.914 0.111 0.000 2.357 289 V HA 0.596 nan 4.120 nan 0.000 0.281 289 V C -1.254 174.892 176.094 0.087 0.000 1.015 289 V CA -0.804 61.542 62.300 0.077 0.000 0.827 289 V CB 1.061 32.918 31.823 0.057 0.000 1.018 289 V HN 0.224 8.507 8.190 0.155 0.000 0.432 290 I N 9.101 129.719 120.570 0.079 0.000 2.312 290 I HA 0.408 nan 4.170 nan 0.000 0.290 290 I C -1.786 174.364 176.117 0.055 0.000 1.008 290 I CA -0.941 60.406 61.300 0.079 0.000 1.226 290 I CB 1.306 39.355 38.000 0.082 0.000 1.371 290 I HN 0.471 8.721 8.210 0.067 0.000 0.468 291 T N 7.688 122.271 114.554 0.047 0.000 2.885 291 T HA 0.512 nan 4.350 nan 0.000 0.285 291 T C 0.242 174.961 174.700 0.033 0.000 1.019 291 T CA -2.185 59.937 62.100 0.036 0.000 1.010 291 T CB 2.532 71.419 68.868 0.031 0.000 1.022 291 T HN 0.011 8.281 8.240 0.049 0.000 0.466 292 Q N 6.376 126.193 119.800 0.029 0.000 2.187 292 Q HA -0.101 nan 4.340 nan 0.000 0.199 292 Q C 0.527 176.541 176.000 0.022 0.000 0.957 292 Q CA 2.558 58.376 55.803 0.026 0.000 0.857 292 Q CB 0.786 29.538 28.738 0.023 0.000 0.929 292 Q HN 0.071 8.358 8.270 0.028 0.000 0.453 293 K N -2.396 118.017 120.400 0.021 0.000 2.760 293 K HA 0.181 nan 4.320 nan 0.000 0.285 293 K C -0.531 176.079 176.600 0.017 0.000 1.016 293 K CA -1.012 55.286 56.287 0.018 0.000 1.087 293 K CB 1.702 34.212 32.500 0.017 0.000 1.427 293 K HN -0.727 7.507 8.250 0.023 0.029 0.524 294 G N -3.038 105.771 108.800 0.015 0.000 2.477 294 G HA2 0.250 nan 3.960 nan 0.000 0.304 294 G HA3 0.250 nan 3.960 nan 0.000 0.304 294 G C -2.063 172.845 174.900 0.013 0.000 1.175 294 G CA -1.586 43.522 45.100 0.012 0.000 0.907 294 G HN 0.182 8.481 8.290 0.014 0.000 0.509 295 I N -0.980 119.595 120.570 0.008 0.000 2.389 295 I HA 0.172 nan 4.170 nan 0.000 0.288 295 I C -0.609 175.507 176.117 -0.001 0.000 0.999 295 I CA -1.318 59.986 61.300 0.006 0.000 1.129 295 I CB 2.445 40.445 38.000 -0.000 0.000 1.288 295 I HN -0.092 8.122 8.210 0.006 0.000 0.444 296 D N 8.822 129.223 120.400 0.001 0.000 2.419 296 D HA -0.104 nan 4.640 nan 0.000 0.236 296 D C 0.623 176.903 176.300 -0.033 0.000 1.165 296 D CA 1.221 55.216 54.000 -0.008 0.000 0.882 296 D CB 1.789 42.591 40.800 0.003 0.000 1.201 296 D HN 0.083 8.459 8.370 0.010 0.000 0.443 297 D N 5.243 125.621 120.400 -0.037 0.000 2.144 297 D HA -0.268 nan 4.640 nan 0.000 0.199 297 D C 1.741 177.969 176.300 -0.119 0.000 0.984 297 D CA 3.547 57.516 54.000 -0.052 0.000 0.834 297 D CB -0.087 40.692 40.800 -0.035 0.000 0.955 297 D HN 0.486 8.841 8.370 -0.025 0.000 0.465 298 M N -1.062 118.446 119.600 -0.154 0.000 2.200 298 M HA -0.193 nan 4.480 nan 0.000 0.265 298 M C 0.785 176.755 176.300 -0.550 0.000 1.066 298 M CA 2.703 57.806 55.300 -0.328 0.000 1.127 298 M CB -0.372 32.106 32.600 -0.204 0.000 1.379 298 M HN -0.692 7.752 8.290 -0.098 -0.213 0.420 299 A N -1.879 120.813 122.820 -0.214 0.000 1.933 299 A HA -0.342 nan 4.320 nan 0.000 0.218 299 A C 2.123 179.634 177.584 -0.122 0.000 1.175 299 A CA 3.002 55.010 52.037 -0.049 0.000 0.628 299 A CB -0.918 18.108 19.000 0.044 0.000 0.814 299 A HN -0.093 7.990 8.150 -0.110 0.000 0.444 300 Q N -1.763 117.949 119.800 -0.148 0.000 2.061 300 Q HA -0.458 nan 4.340 nan 0.000 0.204 300 Q C 2.207 178.020 176.000 -0.312 0.000 0.984 300 Q CA 3.430 59.134 55.803 -0.165 0.000 0.846 300 Q CB -0.111 28.567 28.738 -0.101 0.000 0.902 300 Q HN 0.251 8.270 8.270 -0.122 0.178 0.421 301 H N 1.292 120.078 119.070 -0.474 0.000 2.289 301 H HA -0.376 nan 4.556 nan 0.000 0.296 301 H C 2.079 177.238 175.328 -0.283 0.000 1.091 301 H CA 4.018 59.765 56.048 -0.501 0.000 1.274 301 H CB -0.097 29.352 29.762 -0.521 0.000 1.364 301 H HN -0.576 7.455 8.280 -0.277 0.082 0.490 302 Y N -1.981 118.162 120.300 -0.261 0.000 2.081 302 Y HA -0.413 nan 4.550 nan 0.000 0.280 302 Y C 2.637 178.402 175.900 -0.225 0.000 1.163 302 Y CA 2.509 60.454 58.100 -0.258 0.000 1.135 302 Y CB -1.098 37.313 38.460 -0.082 0.000 0.970 302 Y HN -0.538 7.356 8.280 -0.644 0.000 0.498 303 L N -2.263 118.956 121.223 -0.007 0.000 1.990 303 L HA -0.581 nan 4.340 nan 0.000 0.213 303 L C 2.433 179.251 176.870 -0.087 0.000 1.072 303 L CA 3.314 58.135 54.840 -0.032 0.000 0.755 303 L CB -0.687 41.353 42.059 -0.032 0.000 0.889 303 L HN -0.031 8.203 8.230 0.007 0.000 0.432 304 S N -0.911 114.681 115.700 -0.180 0.000 2.359 304 S HA -0.363 nan 4.470 nan 0.000 0.222 304 S C 2.799 177.307 174.600 -0.153 0.000 1.038 304 S CA 3.583 61.670 58.200 -0.189 0.000 1.051 304 S CB -0.314 62.634 63.200 -0.421 0.000 0.944 304 S HN -0.177 7.990 8.310 -0.238 0.000 0.433 305 R N 1.993 122.340 120.500 -0.255 0.000 2.105 305 R HA -0.257 nan 4.340 nan 0.000 0.239 305 R C 1.742 177.989 176.300 -0.090 0.000 1.135 305 R CA 2.285 58.269 56.100 -0.194 0.000 0.967 305 R CB -0.196 29.912 30.300 -0.320 0.000 0.861 305 R HN 0.369 8.236 8.270 -0.387 0.171 0.442 306 A N -4.579 118.199 122.820 -0.071 0.000 2.209 306 A HA 0.011 nan 4.320 nan 0.000 0.212 306 A C 0.536 178.111 177.584 -0.015 0.000 1.158 306 A CA 0.531 52.548 52.037 -0.033 0.000 0.742 306 A CB 0.061 19.049 19.000 -0.021 0.000 0.790 306 A HN 0.027 7.924 8.150 -0.086 0.202 0.472 307 G N -1.568 107.223 108.800 -0.016 0.000 2.136 307 G HA2 -0.298 nan 3.960 nan 0.000 0.242 307 G HA3 -0.298 nan 3.960 nan 0.000 0.242 307 G C -0.242 174.679 174.900 0.035 0.000 0.989 307 G CA -0.025 45.082 45.100 0.010 0.000 0.682 307 G HN -0.224 7.841 8.290 -0.037 0.204 0.522 308 I N 0.922 121.509 120.570 0.028 0.000 2.371 308 I HA -0.137 nan 4.170 nan 0.000 0.290 308 I C -1.020 175.154 176.117 0.095 0.000 1.028 308 I CA 0.073 61.409 61.300 0.060 0.000 1.345 308 I CB 0.368 38.391 38.000 0.038 0.000 1.407 308 I HN -0.308 7.869 8.210 0.002 0.034 0.501 309 Y N 9.562 129.865 120.300 0.004 0.000 2.404 309 Y HA -0.054 nan 4.550 nan 0.000 0.344 309 Y C -2.491 173.417 175.900 0.013 0.000 0.995 309 Y CA -1.006 57.100 58.100 0.009 0.000 1.201 309 Y CB 0.835 39.301 38.460 0.010 0.000 1.151 309 Y HN -0.289 8.129 8.280 0.230 0.000 0.517 310 A N 7.428 130.208 122.820 -0.066 0.000 2.356 310 A HA 0.762 nan 4.320 nan 0.000 0.310 310 A C -2.537 174.996 177.584 -0.085 0.000 1.075 310 A CA -1.764 50.273 52.037 -0.002 0.000 0.746 310 A CB 3.061 22.059 19.000 -0.003 0.000 1.221 310 A HN -0.129 7.879 8.150 -0.235 0.000 0.443 311 V N -1.341 118.587 119.914 0.023 0.000 2.994 311 V HA 0.871 nan 4.120 nan 0.000 0.318 311 V C -2.330 173.781 176.094 0.028 0.000 1.085 311 V CA -3.445 58.864 62.300 0.015 0.000 0.998 311 V CB 2.685 34.566 31.823 0.096 0.000 1.063 311 V HN 0.184 8.428 8.190 0.089 0.000 0.447 312 R N -0.037 120.476 120.500 0.021 0.000 2.831 312 R HA 0.651 nan 4.340 nan 0.000 0.266 312 R C -0.013 176.302 176.300 0.025 0.000 1.051 312 R CA -1.449 54.664 56.100 0.022 0.000 0.943 312 R CB 3.079 33.386 30.300 0.011 0.000 1.228 312 R HN 0.200 8.480 8.270 0.017 0.000 0.467 313 R N -3.605 116.909 120.500 0.023 0.000 3.484 313 R HA -0.470 nan 4.340 nan 0.000 0.260 313 R C -0.110 176.206 176.300 0.027 0.000 1.053 313 R CA 1.330 57.443 56.100 0.022 0.000 0.703 313 R CB -2.071 28.239 30.300 0.018 0.000 1.089 313 R HN 0.379 8.571 8.270 0.021 0.091 0.459 314 V N -1.259 118.674 119.914 0.032 0.000 2.811 314 V HA -0.087 nan 4.120 nan 0.000 0.302 314 V C -0.346 175.767 176.094 0.031 0.000 1.063 314 V CA 0.393 62.715 62.300 0.037 0.000 1.088 314 V CB 0.439 32.289 31.823 0.046 0.000 0.982 314 V HN -0.224 7.972 8.190 0.033 0.013 0.485 315 K N 4.727 125.145 120.400 0.030 0.000 2.447 315 K HA -0.114 nan 4.320 nan 0.000 0.281 315 K C 1.272 177.886 176.600 0.024 0.000 1.031 315 K CA 0.609 56.911 56.287 0.025 0.000 1.019 315 K CB 0.830 33.345 32.500 0.024 0.000 0.918 315 K HN 0.265 8.536 8.250 0.034 0.000 0.476 316 K N 6.305 126.718 120.400 0.021 0.000 2.044 316 K HA -0.440 nan 4.320 nan 0.000 0.210 316 K C 1.406 178.019 176.600 0.021 0.000 1.049 316 K CA 3.514 59.814 56.287 0.021 0.000 0.927 316 K CB -0.591 31.919 32.500 0.018 0.000 0.713 316 K HN 0.687 8.949 8.250 0.020 0.000 0.443 317 S N -2.212 113.500 115.700 0.021 0.000 2.370 317 S HA -0.307 nan 4.470 nan 0.000 0.226 317 S C 2.121 176.734 174.600 0.023 0.000 1.033 317 S CA 3.460 61.673 58.200 0.022 0.000 1.011 317 S CB -0.932 62.282 63.200 0.022 0.000 0.852 317 S HN -0.050 8.272 8.310 0.019 0.000 0.457 318 D N 2.671 123.084 120.400 0.022 0.000 2.144 318 D HA -0.215 nan 4.640 nan 0.000 0.199 318 D C 1.925 178.238 176.300 0.023 0.000 0.984 318 D CA 2.604 56.617 54.000 0.021 0.000 0.834 318 D CB -0.444 40.371 40.800 0.026 0.000 0.955 318 D HN -0.488 7.811 8.370 0.023 0.085 0.465 319 M N -0.144 119.471 119.600 0.025 0.000 2.082 319 M HA -0.421 nan 4.480 nan 0.000 0.258 319 M C 1.645 177.959 176.300 0.023 0.000 1.069 319 M CA 3.053 58.369 55.300 0.026 0.000 1.102 319 M CB -0.321 32.294 32.600 0.026 0.000 1.336 319 M HN 0.030 8.239 8.290 0.026 0.096 0.404 320 D N -0.837 119.577 120.400 0.023 0.000 2.097 320 D HA -0.317 nan 4.640 nan 0.000 0.195 320 D C 2.574 178.887 176.300 0.020 0.000 0.989 320 D CA 3.495 57.509 54.000 0.023 0.000 0.827 320 D CB -0.733 40.083 40.800 0.026 0.000 0.966 320 D HN -0.216 8.168 8.370 0.023 0.000 0.456 321 K N -0.341 120.069 120.400 0.017 0.000 2.097 321 K HA -0.264 nan 4.320 nan 0.000 0.206 321 K C 2.787 179.388 176.600 0.003 0.000 1.049 321 K CA 3.271 59.562 56.287 0.008 0.000 0.933 321 K CB -0.055 32.445 32.500 0.000 0.000 0.717 321 K HN -0.666 7.595 8.250 0.019 0.000 0.442 322 L N -2.017 119.211 121.223 0.009 0.000 2.156 322 L HA -0.279 nan 4.340 nan 0.000 0.208 322 L C 1.714 178.591 176.870 0.010 0.000 1.095 322 L CA 2.544 57.389 54.840 0.009 0.000 0.770 322 L CB -0.574 41.496 42.059 0.019 0.000 0.914 322 L HN 0.071 8.299 8.230 0.013 0.009 0.439 323 A N 0.240 123.068 122.820 0.015 0.000 1.828 323 A HA -0.398 nan 4.320 nan 0.000 0.215 323 A C 1.628 179.221 177.584 0.014 0.000 1.203 323 A CA 3.355 55.402 52.037 0.016 0.000 0.614 323 A CB -0.879 18.133 19.000 0.019 0.000 0.844 323 A HN -0.060 8.003 8.150 0.017 0.097 0.445 324 K N -2.158 118.252 120.400 0.016 0.000 2.059 324 K HA -0.410 nan 4.320 nan 0.000 0.212 324 K C 1.744 178.348 176.600 0.007 0.000 1.050 324 K CA 3.091 59.388 56.287 0.016 0.000 0.927 324 K CB -0.112 32.400 32.500 0.020 0.000 0.714 324 K HN -0.119 8.141 8.250 0.017 0.000 0.447 325 A N -2.793 120.026 122.820 -0.001 0.000 1.841 325 A HA -0.090 nan 4.320 nan 0.000 0.216 325 A C 1.737 179.317 177.584 -0.006 0.000 1.199 325 A CA 2.631 54.662 52.037 -0.010 0.000 0.621 325 A CB 0.407 19.396 19.000 -0.019 0.000 0.835 325 A HN -0.324 7.825 8.150 -0.001 -0.000 0.445 326 T N -6.557 107.997 114.554 -0.001 0.000 3.148 326 T HA 0.021 nan 4.350 nan 0.000 0.253 326 T C 1.691 176.394 174.700 0.004 0.000 1.134 326 T CA 0.560 62.660 62.100 0.000 0.000 1.051 326 T CB 0.163 69.032 68.868 0.002 0.000 0.959 326 T HN -0.107 8.133 8.240 0.001 0.000 0.525 327 G N 2.691 111.495 108.800 0.007 0.000 2.221 327 G HA2 -0.476 nan 3.960 nan 0.000 0.265 327 G HA3 -0.476 nan 3.960 nan 0.000 0.265 327 G C -1.163 173.744 174.900 0.011 0.000 1.041 327 G CA 0.390 45.496 45.100 0.010 0.000 0.807 327 G HN 0.252 8.492 8.290 0.008 0.054 0.502 328 A N -1.057 121.770 122.820 0.012 0.000 2.240 328 A HA 0.418 nan 4.320 nan 0.000 0.292 328 A C -1.130 176.463 177.584 0.015 0.000 1.121 328 A CA -0.700 51.345 52.037 0.014 0.000 0.851 328 A CB 1.648 20.657 19.000 0.016 0.000 1.167 328 A HN -0.602 7.533 8.150 0.012 0.023 0.503 329 S N -1.537 114.173 115.700 0.016 0.000 2.614 329 S HA 0.236 nan 4.470 nan 0.000 0.288 329 S C -1.020 173.591 174.600 0.018 0.000 1.137 329 S CA -0.963 57.247 58.200 0.017 0.000 0.992 329 S CB 2.279 65.488 63.200 0.015 0.000 1.026 329 S HN -0.120 8.200 8.310 0.016 0.000 0.486 330 I N 4.612 125.194 120.570 0.019 0.000 2.455 330 I HA -0.164 nan 4.170 nan 0.000 0.303 330 I C -0.584 175.545 176.117 0.019 0.000 1.180 330 I CA 0.242 61.554 61.300 0.020 0.000 1.469 330 I CB -0.928 37.084 38.000 0.020 0.000 1.480 330 I HN 0.326 8.547 8.210 0.019 0.000 0.669 331 V N 8.679 128.604 119.914 0.019 0.000 2.521 331 V HA -0.074 nan 4.120 nan 0.000 0.286 331 V C 0.640 176.745 176.094 0.019 0.000 1.034 331 V CA 0.673 62.984 62.300 0.018 0.000 1.045 331 V CB -0.082 31.752 31.823 0.018 0.000 0.974 331 V HN 0.355 8.557 8.190 0.020 0.000 0.480 332 S N 5.485 121.196 115.700 0.018 0.000 2.578 332 S HA 0.108 nan 4.470 nan 0.000 0.231 332 S C -0.853 173.758 174.600 0.018 0.000 0.994 332 S CA 1.114 59.325 58.200 0.018 0.000 0.956 332 S CB 1.085 64.295 63.200 0.017 0.000 0.870 332 S HN 0.421 8.741 8.310 0.017 0.000 0.494 333 T N 3.418 117.983 114.554 0.018 0.000 3.305 333 T HA 0.389 nan 4.350 nan 0.000 0.348 333 T C 0.278 174.989 174.700 0.018 0.000 1.394 333 T CA -0.757 61.353 62.100 0.018 0.000 1.549 333 T CB 0.470 69.347 68.868 0.016 0.000 0.962 333 T HN -0.303 7.882 8.240 0.018 0.066 0.609 334 I N 4.613 125.195 120.570 0.020 0.000 2.181 334 I HA -0.567 nan 4.170 nan 0.000 0.247 334 I C 1.275 177.402 176.117 0.017 0.000 1.081 334 I CA 3.158 64.470 61.300 0.020 0.000 1.340 334 I CB -0.596 37.418 38.000 0.023 0.000 1.036 334 I HN 0.385 8.608 8.210 0.021 0.000 0.417 335 D N -1.587 118.823 120.400 0.017 0.000 2.265 335 D HA -0.291 nan 4.640 nan 0.000 0.208 335 D C 1.394 177.701 176.300 0.012 0.000 0.977 335 D CA 2.870 56.878 54.000 0.014 0.000 0.871 335 D CB -0.723 40.086 40.800 0.015 0.000 0.925 335 D HN 0.213 8.575 8.370 0.018 0.019 0.485 336 E N -4.194 116.013 120.200 0.013 0.000 2.569 336 E HA 0.146 nan 4.350 nan 0.000 0.205 336 E C -0.696 175.911 176.600 0.011 0.000 1.006 336 E CA -1.685 54.722 56.400 0.011 0.000 0.985 336 E CB 0.128 29.835 29.700 0.012 0.000 1.060 336 E HN -0.061 8.138 8.360 0.014 0.169 0.460 337 I N 2.965 123.543 120.570 0.012 0.000 2.578 337 I HA -0.217 nan 4.170 nan 0.000 0.286 337 I C -1.390 174.733 176.117 0.011 0.000 1.126 337 I CA 0.515 61.823 61.300 0.013 0.000 1.380 337 I CB -0.032 37.977 38.000 0.015 0.000 1.408 337 I HN -0.273 7.786 8.210 0.013 0.159 0.532 338 S N 8.364 124.070 115.700 0.010 0.000 2.687 338 S HA 0.387 nan 4.470 nan 0.000 0.283 338 S C 0.964 175.570 174.600 0.009 0.000 1.170 338 S CA -1.415 56.790 58.200 0.008 0.000 1.008 338 S CB 2.018 65.223 63.200 0.008 0.000 1.026 338 S HN 0.099 8.709 8.310 0.011 -0.294 0.541 339 S N 2.455 118.160 115.700 0.007 0.000 2.399 339 S HA -0.270 nan 4.470 nan 0.000 0.231 339 S C 1.541 176.145 174.600 0.007 0.000 1.022 339 S CA 2.618 60.822 58.200 0.007 0.000 0.983 339 S CB -0.428 62.775 63.200 0.005 0.000 0.803 339 S HN 0.589 8.902 8.310 0.006 0.000 0.480 340 S N 1.651 117.356 115.700 0.007 0.000 2.474 340 S HA -0.135 nan 4.470 nan 0.000 0.235 340 S C 0.256 174.862 174.600 0.009 0.000 0.997 340 S CA 2.443 60.647 58.200 0.007 0.000 0.949 340 S CB -0.703 62.501 63.200 0.007 0.000 0.766 340 S HN 0.018 8.313 8.310 0.007 0.019 0.517 341 D N 0.354 120.760 120.400 0.010 0.000 2.349 341 D HA 0.099 nan 4.640 nan 0.000 0.215 341 D C -1.448 174.860 176.300 0.013 0.000 1.016 341 D CA 0.676 54.684 54.000 0.012 0.000 0.870 341 D CB 0.412 41.219 40.800 0.013 0.000 0.917 341 D HN -0.000 8.175 8.370 0.010 0.201 0.524 342 L N -0.041 121.189 121.223 0.012 0.000 2.367 342 L HA -0.003 nan 4.340 nan 0.000 0.275 342 L C 0.058 176.934 176.870 0.011 0.000 1.129 342 L CA 0.262 55.109 54.840 0.012 0.000 0.839 342 L CB 0.203 42.269 42.059 0.011 0.000 1.133 342 L HN -0.793 7.275 8.230 0.010 0.169 0.453 343 G N 3.660 112.467 108.800 0.011 0.000 2.580 343 G HA2 0.357 nan 3.960 nan 0.000 0.278 343 G HA3 0.357 nan 3.960 nan 0.000 0.278 343 G C -1.706 173.197 174.900 0.005 0.000 1.212 343 G CA -0.866 44.240 45.100 0.009 0.000 0.939 343 G HN 0.703 8.892 8.290 0.014 0.109 0.513 344 T N 1.143 115.698 114.554 0.002 0.000 2.912 344 T HA 0.663 nan 4.350 nan 0.000 0.299 344 T C -2.187 172.510 174.700 -0.006 0.000 1.052 344 T CA -0.015 62.084 62.100 -0.002 0.000 0.996 344 T CB 2.733 71.600 68.868 -0.001 0.000 1.070 344 T HN 0.213 8.327 8.240 0.002 0.128 0.465 345 A N 4.579 127.393 122.820 -0.010 0.000 2.566 345 A HA 0.542 nan 4.320 nan 0.000 0.297 345 A C -0.936 176.638 177.584 -0.015 0.000 1.059 345 A CA -0.974 51.054 52.037 -0.014 0.000 0.691 345 A CB 2.812 21.800 19.000 -0.019 0.000 1.282 345 A HN 0.091 8.235 8.150 -0.010 0.000 0.401 346 E N 1.673 121.865 120.200 -0.013 0.000 2.110 346 E HA -0.182 nan 4.350 nan 0.000 0.193 346 E C -0.277 176.313 176.600 -0.016 0.000 0.988 346 E CA 2.902 59.296 56.400 -0.011 0.000 0.804 346 E CB 1.129 30.825 29.700 -0.007 0.000 0.745 346 E HN 0.378 8.586 8.360 -0.011 0.145 0.458 347 R N -7.479 113.008 120.500 -0.021 0.000 2.644 347 R HA 0.421 nan 4.340 nan 0.000 0.257 347 R C -2.489 173.778 176.300 -0.055 0.000 1.082 347 R CA -0.712 55.367 56.100 -0.036 0.000 0.927 347 R CB 2.460 32.745 30.300 -0.024 0.000 1.258 347 R HN -0.218 8.042 8.270 -0.017 0.000 0.459 348 V N 2.117 121.960 119.914 -0.118 0.000 2.555 348 V HA 0.734 nan 4.120 nan 0.000 0.302 348 V C -2.190 173.740 176.094 -0.274 0.000 1.038 348 V CA -1.327 60.850 62.300 -0.204 0.000 0.887 348 V CB 2.697 34.319 31.823 -0.334 0.000 0.991 348 V HN 0.735 8.851 8.190 -0.122 0.000 0.434 349 E N 5.435 125.507 120.200 -0.213 0.000 2.372 349 E HA 0.552 nan 4.350 nan 0.000 0.279 349 E C -2.958 173.594 176.600 -0.081 0.000 0.946 349 E CA -1.494 54.812 56.400 -0.157 0.000 0.769 349 E CB 4.361 34.006 29.700 -0.092 0.000 1.230 349 E HN 0.232 8.522 8.360 -0.117 0.000 0.442 350 Q N 5.599 125.426 119.800 0.046 0.000 2.267 350 Q HA 0.496 nan 4.340 nan 0.000 0.255 350 Q C -1.138 174.855 176.000 -0.012 0.000 0.923 350 Q CA -0.309 55.562 55.803 0.113 0.000 0.925 350 Q CB 1.748 30.605 28.738 0.199 0.000 1.195 350 Q HN 0.035 8.349 8.270 0.073 0.000 0.417 351 V N -0.297 119.544 119.914 -0.121 0.000 2.876 351 V HA 0.514 nan 4.120 nan 0.000 0.312 351 V C -2.615 173.430 176.094 -0.080 0.000 1.085 351 V CA -3.143 59.029 62.300 -0.214 0.000 0.945 351 V CB 4.004 35.418 31.823 -0.682 0.000 1.017 351 V HN 0.995 9.009 8.190 -0.113 0.108 0.428 352 K N 3.874 124.225 120.400 -0.081 0.000 2.285 352 K HA 0.345 nan 4.320 nan 0.000 0.286 352 K C -0.262 176.221 176.600 -0.195 0.000 1.072 352 K CA -0.260 55.848 56.287 -0.299 0.000 0.913 352 K CB 0.824 33.008 32.500 -0.528 0.000 1.067 352 K HN 0.107 8.326 8.250 -0.052 0.000 0.479 353 V N 9.450 129.280 119.914 -0.140 0.000 2.247 353 V HA 0.121 nan 4.120 nan 0.000 0.262 353 V C -0.342 175.707 176.094 -0.075 0.000 1.096 353 V CA -0.979 61.295 62.300 -0.042 0.000 0.895 353 V CB -1.702 30.162 31.823 0.068 0.000 1.141 353 V HN 0.470 8.475 8.190 -0.155 0.093 0.478 354 G N 7.722 116.467 108.800 -0.091 0.000 2.595 354 G HA2 -0.465 nan 3.960 nan 0.000 0.297 354 G HA3 -0.465 nan 3.960 nan 0.000 0.297 354 G C -0.096 174.720 174.900 -0.140 0.000 1.181 354 G CA 1.279 46.327 45.100 -0.087 0.000 0.963 354 G HN -0.460 7.751 8.290 -0.089 0.026 0.541 355 E N 4.979 125.108 120.200 -0.118 0.000 2.021 355 E HA -0.110 nan 4.350 nan 0.000 0.189 355 E C 0.271 176.736 176.600 -0.225 0.000 0.980 355 E CA 0.724 57.043 56.400 -0.135 0.000 0.803 355 E CB 0.766 30.423 29.700 -0.072 0.000 0.766 355 E HN 0.448 8.759 8.360 -0.082 0.000 0.449 356 D N -1.753 118.547 120.400 -0.168 0.000 2.377 356 D HA 0.059 nan 4.640 nan 0.000 0.245 356 D C -1.632 174.496 176.300 -0.287 0.000 1.196 356 D CA 0.903 54.809 54.000 -0.155 0.000 0.962 356 D CB 1.055 41.840 40.800 -0.024 0.000 1.127 356 D HN -0.518 7.787 8.370 -0.109 0.000 0.471 357 Y N -2.069 118.239 120.300 0.013 0.000 2.328 357 Y HA 0.516 nan 4.550 nan 0.000 0.337 357 Y C -0.412 175.513 175.900 0.042 0.000 0.966 357 Y CA -0.600 57.505 58.100 0.008 0.000 1.136 357 Y CB 1.835 40.296 38.460 0.002 0.000 1.170 357 Y HN 0.087 8.447 8.280 0.133 0.000 0.470 358 M N 3.306 123.019 119.600 0.188 0.000 2.664 358 M HA 0.483 nan 4.480 nan 0.000 0.314 358 M C -1.551 174.891 176.300 0.235 0.000 1.200 358 M CA -1.133 54.304 55.300 0.229 0.000 0.916 358 M CB 4.671 37.477 32.600 0.344 0.000 1.717 358 M HN 0.875 9.132 8.290 0.125 0.108 0.470 359 T N 2.442 117.184 114.554 0.313 0.000 2.756 359 T HA 0.568 nan 4.350 nan 0.000 0.290 359 T C -1.480 173.476 174.700 0.425 0.000 0.985 359 T CA -1.773 60.510 62.100 0.305 0.000 0.955 359 T CB 0.575 69.638 68.868 0.326 0.000 0.930 359 T HN 0.600 9.020 8.240 0.299 0.000 0.451 360 F N 8.928 128.882 119.950 0.006 0.000 2.361 360 F HA 0.564 nan 4.527 nan 0.000 0.364 360 F C -0.990 174.777 175.800 -0.055 0.000 1.120 360 F CA -3.587 54.403 58.000 -0.017 0.000 1.102 360 F CB 0.570 39.563 39.000 -0.012 0.000 1.183 360 F HN 0.965 9.411 8.300 0.244 0.000 0.476 361 V N 8.473 128.447 119.914 0.100 0.000 2.299 361 V HA 0.438 nan 4.120 nan 0.000 0.255 361 V C -1.527 174.574 176.094 0.011 0.000 1.100 361 V CA -1.675 60.638 62.300 0.022 0.000 0.938 361 V CB 0.055 31.878 31.823 -0.001 0.000 1.139 361 V HN 0.272 8.503 8.190 0.068 0.000 0.490 362 T N 10.703 125.274 114.554 0.028 0.000 2.902 362 T HA 0.527 nan 4.350 nan 0.000 0.283 362 T C -0.552 174.148 174.700 0.001 0.000 1.009 362 T CA -1.751 60.360 62.100 0.018 0.000 1.051 362 T CB 1.645 70.546 68.868 0.056 0.000 0.999 362 T HN 0.694 8.953 8.240 0.032 0.000 0.474 363 G N 2.757 111.552 108.800 -0.007 0.000 2.291 363 G HA2 -0.439 nan 3.960 nan 0.000 0.271 363 G HA3 -0.439 nan 3.960 nan 0.000 0.271 363 G C -0.470 174.422 174.900 -0.013 0.000 1.099 363 G CA 0.049 45.143 45.100 -0.009 0.000 0.919 363 G HN 0.300 8.583 8.290 -0.011 0.000 0.496 364 C N -1.842 117.448 119.300 -0.017 0.000 2.689 364 C HA -0.042 nan 4.460 nan 0.000 0.409 364 C C 1.286 176.268 174.990 -0.012 0.000 1.293 364 C CA 0.086 59.094 59.018 -0.016 0.000 2.136 364 C CB 0.529 28.256 27.740 -0.022 0.000 2.719 364 C HN -0.114 8.103 8.230 -0.022 0.000 0.644 365 K N 4.787 125.182 120.400 -0.008 0.000 2.074 365 K HA -0.416 nan 4.320 nan 0.000 0.209 365 K C 0.090 176.687 176.600 -0.005 0.000 1.048 365 K CA 1.930 58.214 56.287 -0.005 0.000 0.926 365 K CB 0.295 32.794 32.500 -0.001 0.000 0.713 365 K HN 0.125 8.371 8.250 -0.008 0.000 0.444 366 N N -1.403 117.293 118.700 -0.006 0.000 2.485 366 N HA 0.235 nan 4.740 nan 0.000 0.243 366 N C -1.326 174.174 175.510 -0.016 0.000 0.987 366 N CA -2.953 50.093 53.050 -0.006 0.000 0.940 366 N CB 1.188 39.674 38.487 -0.001 0.000 1.122 366 N HN -0.337 8.038 8.380 -0.007 0.001 0.509 367 P HA -0.006 nan 4.420 nan 0.000 0.237 367 P C -0.598 176.678 177.300 -0.040 0.000 1.178 367 P CA 0.954 64.037 63.100 -0.027 0.000 0.766 367 P CB 0.119 31.807 31.700 -0.021 0.000 0.876 368 K N -1.905 118.473 120.400 -0.036 0.000 2.745 368 K HA 0.040 nan 4.320 nan 0.000 0.223 368 K C -1.542 175.014 176.600 -0.074 0.000 1.057 368 K CA -0.438 55.817 56.287 -0.054 0.000 1.217 368 K CB -0.718 31.761 32.500 -0.035 0.000 0.993 368 K HN -0.208 7.958 8.250 -0.024 0.070 0.478 369 A N -2.215 120.562 122.820 -0.071 0.000 2.374 369 A HA 0.453 nan 4.320 nan 0.000 0.305 369 A C -2.131 175.395 177.584 -0.096 0.000 1.053 369 A CA -0.890 51.098 52.037 -0.082 0.000 0.726 369 A CB 2.618 21.583 19.000 -0.057 0.000 1.229 369 A HN -0.737 7.268 8.150 -0.063 0.107 0.431 370 V N 2.854 122.695 119.914 -0.121 0.000 3.206 370 V HA 0.705 nan 4.120 nan 0.000 0.305 370 V C -2.452 173.555 176.094 -0.144 0.000 1.257 370 V CA -1.458 60.764 62.300 -0.131 0.000 1.057 370 V CB 4.914 36.654 31.823 -0.139 0.000 1.075 370 V HN 1.032 9.142 8.190 -0.133 0.000 0.443 371 S N 1.909 117.517 115.700 -0.154 0.000 2.548 371 S HA 0.907 nan 4.470 nan 0.000 0.286 371 S C -1.883 172.627 174.600 -0.150 0.000 1.098 371 S CA -1.224 56.880 58.200 -0.161 0.000 0.930 371 S CB 3.320 66.397 63.200 -0.205 0.000 1.070 371 S HN 0.692 8.807 8.310 -0.154 0.103 0.480 372 I N 2.897 123.392 120.570 -0.126 0.000 2.389 372 I HA 0.572 nan 4.170 nan 0.000 0.288 372 I C -2.059 174.009 176.117 -0.082 0.000 0.999 372 I CA -0.795 60.446 61.300 -0.097 0.000 1.129 372 I CB 2.488 40.439 38.000 -0.081 0.000 1.288 372 I HN 1.018 9.052 8.210 -0.118 0.105 0.444 373 L N 9.226 130.406 121.223 -0.071 0.000 2.297 373 L HA 0.539 nan 4.340 nan 0.000 0.277 373 L C -1.621 175.239 176.870 -0.018 0.000 1.040 373 L CA -1.563 53.249 54.840 -0.045 0.000 0.867 373 L CB 0.422 42.459 42.059 -0.037 0.000 1.244 373 L HN 0.812 9.000 8.230 -0.070 0.000 0.433 374 V N 9.676 129.582 119.914 -0.014 0.000 2.529 374 V HA -0.058 nan 4.120 nan 0.000 0.292 374 V C -0.864 175.231 176.094 0.002 0.000 1.028 374 V CA 0.608 62.906 62.300 -0.005 0.000 1.074 374 V CB -0.731 31.091 31.823 -0.002 0.000 0.958 374 V HN 1.155 9.334 8.190 -0.018 0.000 0.481 375 R N 7.847 128.350 120.500 0.004 0.000 2.514 375 R HA 0.705 nan 4.340 nan 0.000 0.301 375 R C -1.046 175.257 176.300 0.006 0.000 0.962 375 R CA -2.820 53.284 56.100 0.006 0.000 0.882 375 R CB 2.152 32.458 30.300 0.009 0.000 1.143 375 R HN -0.062 8.210 8.270 0.003 0.000 0.452 376 G N 0.033 108.836 108.800 0.006 0.000 2.746 376 G HA2 0.206 nan 3.960 nan 0.000 0.297 376 G HA3 0.206 nan 3.960 nan 0.000 0.297 376 G C -0.874 174.031 174.900 0.008 0.000 1.426 376 G CA -0.425 44.680 45.100 0.008 0.000 0.989 376 G HN -0.502 7.791 8.290 0.004 0.000 0.520 377 E N 1.261 121.468 120.200 0.011 0.000 2.204 377 E HA -0.166 nan 4.350 nan 0.000 0.195 377 E C -0.217 176.391 176.600 0.014 0.000 0.990 377 E CA 1.778 58.184 56.400 0.010 0.000 0.821 377 E CB 0.177 29.883 29.700 0.011 0.000 0.750 377 E HN 0.401 8.768 8.360 0.012 0.000 0.477 378 T N -0.174 114.393 114.554 0.022 0.000 2.916 378 T HA 0.335 nan 4.350 nan 0.000 0.292 378 T C -0.229 174.486 174.700 0.026 0.000 1.055 378 T CA -1.315 60.805 62.100 0.034 0.000 1.009 378 T CB 2.854 71.754 68.868 0.053 0.000 1.118 378 T HN -0.583 7.632 8.240 0.022 0.039 0.497 379 E N 4.362 124.573 120.200 0.018 0.000 2.013 379 E HA -0.447 nan 4.350 nan 0.000 0.202 379 E C 1.594 178.127 176.600 -0.112 0.000 1.018 379 E CA 4.602 60.964 56.400 -0.063 0.000 0.834 379 E CB 0.035 29.669 29.700 -0.110 0.000 0.770 379 E HN 0.580 8.964 8.360 0.040 0.000 0.459 380 H N -3.496 115.577 119.070 0.005 0.000 2.489 380 H HA -0.187 nan 4.556 nan 0.000 0.295 380 H C 2.421 177.753 175.328 0.007 0.000 1.082 380 H CA 3.163 59.215 56.048 0.006 0.000 1.295 380 H CB -0.814 28.951 29.762 0.005 0.000 1.380 380 H HN 0.378 8.724 8.280 0.109 0.000 0.548 381 V N 0.235 120.202 119.914 0.089 0.000 2.302 381 V HA -0.239 nan 4.120 nan 0.000 0.243 381 V C 1.493 177.604 176.094 0.028 0.000 1.036 381 V CA 3.837 66.170 62.300 0.056 0.000 1.020 381 V CB -0.345 31.504 31.823 0.044 0.000 0.657 381 V HN -0.818 7.257 8.190 0.083 0.165 0.453 382 V N 0.347 120.267 119.914 0.011 0.000 2.594 382 V HA -0.518 nan 4.120 nan 0.000 0.253 382 V C 1.214 177.304 176.094 -0.006 0.000 1.069 382 V CA 3.805 66.105 62.300 0.001 0.000 1.082 382 V CB -0.705 31.114 31.823 -0.006 0.000 0.680 382 V HN 0.600 8.796 8.190 0.009 0.000 0.469 383 D N -1.061 119.326 120.400 -0.020 0.000 2.117 383 D HA -0.275 nan 4.640 nan 0.000 0.197 383 D C 2.518 178.820 176.300 0.003 0.000 0.987 383 D CA 4.025 58.011 54.000 -0.024 0.000 0.829 383 D CB -0.597 40.166 40.800 -0.062 0.000 0.961 383 D HN 0.316 8.651 8.370 -0.032 0.016 0.460 384 E N 0.167 120.378 120.200 0.019 0.000 2.107 384 E HA -0.161 nan 4.350 nan 0.000 0.191 384 E C 2.021 178.635 176.600 0.024 0.000 0.982 384 E CA 2.465 58.881 56.400 0.027 0.000 0.809 384 E CB -0.414 29.308 29.700 0.036 0.000 0.756 384 E HN -0.726 7.648 8.360 0.024 0.000 0.459 385 M N -0.443 119.169 119.600 0.020 0.000 2.108 385 M HA -0.345 nan 4.480 nan 0.000 0.261 385 M C 2.266 178.578 176.300 0.020 0.000 1.066 385 M CA 2.396 57.707 55.300 0.019 0.000 1.107 385 M CB -1.182 31.426 32.600 0.014 0.000 1.356 385 M HN -0.179 8.123 8.290 0.020 0.000 0.406 386 E N -0.572 119.638 120.200 0.016 0.000 2.106 386 E HA -0.392 nan 4.350 nan 0.000 0.192 386 E C 2.206 178.826 176.600 0.033 0.000 0.984 386 E CA 3.574 59.986 56.400 0.020 0.000 0.806 386 E CB -0.086 29.621 29.700 0.012 0.000 0.750 386 E HN 0.272 8.643 8.360 0.011 -0.005 0.458 387 R N -1.072 119.446 120.500 0.030 0.000 2.066 387 R HA -0.309 nan 4.340 nan 0.000 0.232 387 R C 2.706 179.034 176.300 0.047 0.000 1.131 387 R CA 3.315 59.437 56.100 0.036 0.000 0.955 387 R CB -0.028 30.288 30.300 0.026 0.000 0.851 387 R HN -0.380 7.830 8.270 0.022 0.074 0.432 388 S N 0.840 116.564 115.700 0.040 0.000 2.374 388 S HA -0.327 nan 4.470 nan 0.000 0.227 388 S C 2.212 176.843 174.600 0.052 0.000 1.037 388 S CA 4.236 62.462 58.200 0.043 0.000 1.024 388 S CB -0.409 62.812 63.200 0.034 0.000 0.861 388 S HN 0.309 8.526 8.310 0.033 0.113 0.456 389 I N 0.683 121.282 120.570 0.048 0.000 2.226 389 I HA -0.490 nan 4.170 nan 0.000 0.245 389 I C 1.169 177.335 176.117 0.083 0.000 1.100 389 I CA 4.428 65.757 61.300 0.048 0.000 1.374 389 I CB -0.087 37.929 38.000 0.026 0.000 1.057 389 I HN -0.049 8.184 8.210 0.039 0.000 0.413 390 T N 2.498 117.121 114.554 0.115 0.000 2.737 390 T HA -0.454 nan 4.350 nan 0.000 0.269 390 T C 1.877 176.758 174.700 0.300 0.000 1.040 390 T CA 5.224 67.457 62.100 0.221 0.000 1.142 390 T CB -1.020 67.977 68.868 0.216 0.000 0.861 390 T HN -0.474 7.821 8.240 0.090 0.000 0.456 391 D N 0.238 120.746 120.400 0.180 0.000 2.117 391 D HA -0.217 nan 4.640 nan 0.000 0.197 391 D C 2.256 178.649 176.300 0.154 0.000 0.987 391 D CA 4.081 58.174 54.000 0.155 0.000 0.829 391 D CB -0.006 40.846 40.800 0.087 0.000 0.961 391 D HN -0.323 8.115 8.370 0.128 0.009 0.460 392 S N 0.802 116.569 115.700 0.112 0.000 2.348 392 S HA -0.254 nan 4.470 nan 0.000 0.221 392 S C 2.301 176.953 174.600 0.086 0.000 1.033 392 S CA 3.633 61.882 58.200 0.083 0.000 1.010 392 S CB -0.215 63.017 63.200 0.053 0.000 0.891 392 S HN -0.787 7.491 8.310 0.098 0.091 0.442 393 L N 1.616 122.883 121.223 0.075 0.000 1.997 393 L HA -0.514 nan 4.340 nan 0.000 0.216 393 L C 2.176 179.125 176.870 0.131 0.000 1.074 393 L CA 3.702 58.557 54.840 0.026 0.000 0.763 393 L CB -0.504 41.541 42.059 -0.023 0.000 0.890 393 L HN 0.157 8.436 8.230 0.082 0.000 0.434 394 H N -2.517 116.731 119.070 0.297 0.000 2.421 394 H HA -0.271 nan 4.556 nan 0.000 0.298 394 H C 2.729 178.124 175.328 0.112 0.000 1.087 394 H CA 4.307 60.452 56.048 0.162 0.000 1.330 394 H CB -0.317 29.439 29.762 -0.009 0.000 1.388 394 H HN -0.213 8.194 8.280 0.212 0.000 0.526 395 V N 0.581 120.597 119.914 0.170 0.000 2.231 395 V HA -0.308 nan 4.120 nan 0.000 0.240 395 V C 1.740 177.888 176.094 0.090 0.000 1.039 395 V CA 4.593 66.962 62.300 0.116 0.000 0.998 395 V CB -0.429 31.449 31.823 0.091 0.000 0.639 395 V HN -0.284 7.894 8.190 0.174 0.117 0.451 396 V N -1.562 118.394 119.914 0.071 0.000 2.439 396 V HA -0.482 nan 4.120 nan 0.000 0.253 396 V C 1.291 177.403 176.094 0.030 0.000 1.074 396 V CA 3.862 66.191 62.300 0.049 0.000 1.076 396 V CB -1.522 30.334 31.823 0.055 0.000 0.664 396 V HN 0.269 8.502 8.190 0.071 0.000 0.461 397 A N -0.055 122.800 122.820 0.057 0.000 1.832 397 A HA -0.348 nan 4.320 nan 0.000 0.214 397 A C 1.661 179.295 177.584 0.082 0.000 1.200 397 A CA 3.501 55.583 52.037 0.076 0.000 0.610 397 A CB -0.857 18.293 19.000 0.249 0.000 0.842 397 A HN 0.395 8.586 8.150 0.084 0.009 0.444 398 S N -0.847 114.917 115.700 0.106 0.000 2.387 398 S HA -0.410 nan 4.470 nan 0.000 0.230 398 S C 2.029 176.681 174.600 0.087 0.000 1.035 398 S CA 3.095 61.354 58.200 0.098 0.000 1.014 398 S CB -0.390 62.872 63.200 0.103 0.000 0.836 398 S HN -0.110 8.161 8.310 0.124 0.113 0.466 399 A N 1.662 124.530 122.820 0.080 0.000 1.835 399 A HA -0.262 nan 4.320 nan 0.000 0.215 399 A C 1.626 179.250 177.584 0.067 0.000 1.199 399 A CA 3.020 55.108 52.037 0.086 0.000 0.615 399 A CB -0.919 18.129 19.000 0.080 0.000 0.838 399 A HN 0.270 8.454 8.150 0.079 0.013 0.444 400 L N -1.958 119.272 121.223 0.012 0.000 2.010 400 L HA -0.482 nan 4.340 nan 0.000 0.219 400 L C 2.174 179.056 176.870 0.019 0.000 1.077 400 L CA 3.273 58.067 54.840 -0.076 0.000 0.773 400 L CB -0.341 41.579 42.059 -0.232 0.000 0.892 400 L HN 0.029 8.263 8.230 0.007 0.000 0.436 401 E N -2.953 117.288 120.200 0.068 0.000 2.023 401 E HA -0.388 nan 4.350 nan 0.000 0.196 401 E C 1.926 178.604 176.600 0.130 0.000 1.003 401 E CA 2.816 59.298 56.400 0.137 0.000 0.809 401 E CB -0.059 29.721 29.700 0.134 0.000 0.755 401 E HN -0.171 8.219 8.360 0.049 0.000 0.449 402 D N -3.051 117.411 120.400 0.103 0.000 2.126 402 D HA -0.288 nan 4.640 nan 0.000 0.190 402 D C 1.775 178.129 176.300 0.091 0.000 1.001 402 D CA 2.168 56.222 54.000 0.089 0.000 0.841 402 D CB 0.476 41.325 40.800 0.080 0.000 0.949 402 D HN -0.280 8.148 8.370 0.097 0.000 0.446 403 G N -3.231 105.632 108.800 0.104 0.000 2.213 403 G HA2 -0.444 nan 3.960 nan 0.000 0.236 403 G HA3 -0.444 nan 3.960 nan 0.000 0.236 403 G C -2.416 172.537 174.900 0.088 0.000 0.991 403 G CA 0.609 45.775 45.100 0.109 0.000 0.629 403 G HN 0.488 8.842 8.290 0.106 0.000 0.517 404 A N -1.139 121.721 122.820 0.066 0.000 2.486 404 A HA 1.092 nan 4.320 nan 0.000 0.289 404 A C -2.481 175.136 177.584 0.055 0.000 1.176 404 A CA -1.688 50.336 52.037 -0.021 0.000 0.757 404 A CB 3.100 22.051 19.000 -0.082 0.000 1.337 404 A HN -0.566 7.565 8.150 0.075 0.064 0.423 405 Y N -5.599 114.723 120.300 0.036 0.000 2.597 405 Y HA 0.809 nan 4.550 nan 0.000 0.340 405 Y C -2.878 173.045 175.900 0.038 0.000 1.097 405 Y CA -2.132 55.989 58.100 0.036 0.000 1.037 405 Y CB 2.498 40.977 38.460 0.033 0.000 1.305 405 Y HN 0.403 8.172 8.280 -0.679 0.104 0.463 406 A N -2.046 120.918 122.820 0.239 0.000 2.384 406 A HA 0.521 nan 4.320 nan 0.000 0.312 406 A C -2.187 175.539 177.584 0.238 0.000 1.113 406 A CA -2.830 49.306 52.037 0.166 0.000 0.779 406 A CB 3.625 22.683 19.000 0.095 0.000 1.307 406 A HN 0.875 9.186 8.150 0.267 0.000 0.436 407 A N 0.005 122.944 122.820 0.197 0.000 2.450 407 A HA 0.309 nan 4.320 nan 0.000 0.255 407 A C -0.001 177.658 177.584 0.125 0.000 1.096 407 A CA -0.350 51.791 52.037 0.173 0.000 0.778 407 A CB 0.300 19.401 19.000 0.169 0.000 1.031 407 A HN 0.573 8.822 8.150 0.165 0.000 0.494 408 G N 0.121 108.978 108.800 0.094 0.000 2.630 408 G HA2 0.157 nan 3.960 nan 0.000 0.223 408 G HA3 0.157 nan 3.960 nan 0.000 0.223 408 G C -0.057 174.872 174.900 0.049 0.000 1.434 408 G CA -1.540 43.598 45.100 0.063 0.000 1.057 408 G HN 0.321 8.561 8.290 0.088 0.103 0.570 409 G N -1.443 107.369 108.800 0.019 0.000 2.225 409 G HA2 -0.421 nan 3.960 nan 0.000 0.267 409 G HA3 -0.421 nan 3.960 nan 0.000 0.267 409 G C 0.698 175.597 174.900 -0.000 0.000 1.024 409 G CA 0.424 45.521 45.100 -0.004 0.000 0.784 409 G HN 0.492 8.791 8.290 0.015 0.000 0.507 410 G N -3.415 105.385 108.800 0.001 0.000 2.179 410 G HA2 -0.543 nan 3.960 nan 0.000 0.260 410 G HA3 -0.543 nan 3.960 nan 0.000 0.260 410 G C 0.218 175.105 174.900 -0.022 0.000 0.977 410 G CA 0.585 45.675 45.100 -0.018 0.000 0.641 410 G HN 0.122 8.391 8.290 0.007 0.025 0.533 411 A N 1.277 124.129 122.820 0.053 0.000 1.845 411 A HA -0.312 nan 4.320 nan 0.000 0.215 411 A C 1.013 178.634 177.584 0.062 0.000 1.195 411 A CA 3.932 56.056 52.037 0.145 0.000 0.616 411 A CB -0.583 18.583 19.000 0.277 0.000 0.832 411 A HN -0.084 7.931 8.150 0.068 0.176 0.443 412 T N -0.768 113.842 114.554 0.093 0.000 2.788 412 T HA -0.361 nan 4.350 nan 0.000 0.268 412 T C 1.351 176.061 174.700 0.017 0.000 1.044 412 T CA 3.987 66.136 62.100 0.081 0.000 1.139 412 T CB -1.144 67.771 68.868 0.080 0.000 0.867 412 T HN -0.522 7.779 8.240 0.102 0.000 0.454 413 A N 1.547 124.354 122.820 -0.021 0.000 1.858 413 A HA -0.224 nan 4.320 nan 0.000 0.216 413 A C 1.555 179.092 177.584 -0.078 0.000 1.190 413 A CA 2.854 54.868 52.037 -0.038 0.000 0.617 413 A CB -0.845 18.126 19.000 -0.048 0.000 0.827 413 A HN -0.088 8.040 8.150 -0.014 0.013 0.443 414 A N -2.074 120.632 122.820 -0.189 0.000 1.940 414 A HA -0.337 nan 4.320 nan 0.000 0.219 414 A C 2.141 179.572 177.584 -0.255 0.000 1.176 414 A CA 2.985 54.839 52.037 -0.305 0.000 0.631 414 A CB -0.803 17.847 19.000 -0.582 0.000 0.814 414 A HN 0.327 8.361 8.150 -0.193 0.000 0.446 415 E N -0.441 119.632 120.200 -0.212 0.000 2.015 415 E HA -0.268 nan 4.350 nan 0.000 0.191 415 E C 2.142 178.838 176.600 0.160 0.000 0.991 415 E CA 2.463 58.956 56.400 0.154 0.000 0.802 415 E CB -0.321 29.531 29.700 0.252 0.000 0.759 415 E HN -0.159 7.843 8.360 -0.254 0.206 0.447 416 I N -0.292 120.327 120.570 0.082 0.000 2.264 416 I HA -0.547 nan 4.170 nan 0.000 0.248 416 I C 1.940 178.110 176.117 0.088 0.000 1.111 416 I CA 3.833 65.175 61.300 0.070 0.000 1.382 416 I CB -0.332 37.708 38.000 0.066 0.000 1.060 416 I HN 0.250 8.386 8.210 0.055 0.106 0.418 417 A N 0.063 122.936 122.820 0.087 0.000 1.902 417 A HA -0.283 nan 4.320 nan 0.000 0.217 417 A C 1.697 179.380 177.584 0.165 0.000 1.181 417 A CA 3.151 55.249 52.037 0.102 0.000 0.623 417 A CB -0.956 18.077 19.000 0.055 0.000 0.818 417 A HN 0.383 8.370 8.150 0.051 0.193 0.443 418 F N -0.113 119.849 119.950 0.020 0.000 2.046 418 F HA -0.384 nan 4.527 nan 0.000 0.297 418 F C 1.754 177.587 175.800 0.054 0.000 1.123 418 F CA 1.806 59.832 58.000 0.043 0.000 1.199 418 F CB -0.132 38.907 39.000 0.065 0.000 0.972 418 F HN -0.247 8.137 8.300 0.278 0.082 0.474 419 R N -2.117 118.247 120.500 -0.226 0.000 2.152 419 R HA -0.359 nan 4.340 nan 0.000 0.232 419 R C 2.697 178.925 176.300 -0.121 0.000 1.117 419 R CA 3.253 59.173 56.100 -0.300 0.000 0.981 419 R CB -0.264 29.934 30.300 -0.170 0.000 0.870 419 R HN -0.081 8.198 8.270 0.015 0.000 0.451 420 L N -0.974 120.240 121.223 -0.015 0.000 2.156 420 L HA -0.280 nan 4.340 nan 0.000 0.208 420 L C 2.038 178.961 176.870 0.089 0.000 1.095 420 L CA 2.768 57.646 54.840 0.064 0.000 0.770 420 L CB -0.645 41.484 42.059 0.117 0.000 0.914 420 L HN 0.054 8.274 8.230 0.015 0.019 0.439 421 R N -1.403 119.131 120.500 0.056 0.000 2.120 421 R HA -0.303 nan 4.340 nan 0.000 0.234 421 R C 2.703 179.018 176.300 0.025 0.000 1.123 421 R CA 2.805 58.942 56.100 0.062 0.000 0.975 421 R CB -0.741 29.615 30.300 0.094 0.000 0.866 421 R HN -0.520 7.780 8.270 0.049 0.000 0.446 422 S N 0.970 116.649 115.700 -0.036 0.000 2.329 422 S HA -0.194 nan 4.470 nan 0.000 0.215 422 S C 1.782 176.397 174.600 0.025 0.000 1.031 422 S CA 3.434 61.609 58.200 -0.042 0.000 0.985 422 S CB -0.151 62.969 63.200 -0.133 0.000 0.917 422 S HN -0.713 7.439 8.310 -0.099 0.098 0.441 423 Y N 3.208 123.457 120.300 -0.085 0.000 2.173 423 Y HA -0.536 nan 4.550 nan 0.000 0.282 423 Y C 0.971 176.847 175.900 -0.040 0.000 1.192 423 Y CA 3.330 61.392 58.100 -0.063 0.000 1.176 423 Y CB -0.210 38.208 38.460 -0.070 0.000 0.969 423 Y HN -0.441 7.914 8.280 0.125 0.000 0.519 424 A N -1.988 120.849 122.820 0.028 0.000 1.883 424 A HA -0.398 nan 4.320 nan 0.000 0.217 424 A C 0.777 178.309 177.584 -0.087 0.000 1.186 424 A CA 2.925 54.940 52.037 -0.038 0.000 0.624 424 A CB -1.000 18.024 19.000 0.039 0.000 0.822 424 A HN 0.036 8.247 8.150 0.116 0.009 0.444 425 Q N -1.601 118.168 119.800 -0.051 0.000 2.226 425 Q HA -0.238 nan 4.340 nan 0.000 0.204 425 Q C 1.722 177.668 176.000 -0.090 0.000 0.975 425 Q CA 2.325 58.097 55.803 -0.052 0.000 0.866 425 Q CB -0.262 28.462 28.738 -0.023 0.000 0.915 425 Q HN -0.090 8.081 8.270 -0.021 0.087 0.440 426 K N -0.641 119.677 120.400 -0.138 0.000 1.980 426 K HA -0.150 nan 4.320 nan 0.000 0.208 426 K C 2.002 178.464 176.600 -0.230 0.000 1.043 426 K CA 2.283 58.469 56.287 -0.168 0.000 0.938 426 K CB 0.477 32.871 32.500 -0.177 0.000 0.724 426 K HN -0.556 7.491 8.250 -0.132 0.123 0.438 427 I N -0.037 120.292 120.570 -0.403 0.000 2.382 427 I HA -0.118 nan 4.170 nan 0.000 0.297 427 I C -0.066 175.923 176.117 -0.214 0.000 1.172 427 I CA -0.792 60.293 61.300 -0.359 0.000 1.825 427 I CB -2.894 34.761 38.000 -0.574 0.000 1.509 427 I HN -0.130 7.741 8.210 -0.564 0.000 0.842 428 G N 1.954 110.670 108.800 -0.140 0.000 2.599 428 G HA2 0.191 nan 3.960 nan 0.000 0.264 428 G HA3 0.191 nan 3.960 nan 0.000 0.264 428 G C -1.173 173.690 174.900 -0.063 0.000 1.200 428 G CA -0.518 44.531 45.100 -0.086 0.000 0.896 428 G HN -0.117 8.049 8.290 -0.135 0.043 0.536 429 G N 0.693 109.469 108.800 -0.040 0.000 2.301 429 G HA2 -0.204 nan 3.960 nan 0.000 0.194 429 G HA3 -0.204 nan 3.960 nan 0.000 0.194 429 G C 0.246 175.137 174.900 -0.015 0.000 1.266 429 G CA -0.203 44.880 45.100 -0.028 0.000 1.210 429 G HN -0.549 7.897 8.290 -0.035 -0.177 0.524 430 R N 3.498 123.991 120.500 -0.012 0.000 2.127 430 R HA -0.118 nan 4.340 nan 0.000 0.217 430 R C 1.884 178.186 176.300 0.003 0.000 1.074 430 R CA 2.386 58.485 56.100 -0.001 0.000 0.991 430 R CB 0.002 30.302 30.300 0.000 0.000 0.895 430 R HN 0.355 8.616 8.270 -0.016 0.000 0.450 431 Q N -1.212 118.584 119.800 -0.006 0.000 2.077 431 Q HA -0.421 nan 4.340 nan 0.000 0.206 431 Q C 2.210 178.219 176.000 0.015 0.000 0.989 431 Q CA 3.414 59.217 55.803 -0.001 0.000 0.853 431 Q CB -1.508 27.214 28.738 -0.026 0.000 0.907 431 Q HN 0.257 8.505 8.270 -0.016 0.013 0.418 432 Q N -0.590 119.206 119.800 -0.006 0.000 2.112 432 Q HA -0.269 nan 4.340 nan 0.000 0.206 432 Q C 2.441 178.468 176.000 0.045 0.000 0.987 432 Q CA 3.040 58.846 55.803 0.004 0.000 0.858 432 Q CB -0.704 28.024 28.738 -0.016 0.000 0.905 432 Q HN 0.244 8.415 8.270 -0.022 0.086 0.420 433 L N -1.356 119.893 121.223 0.043 0.000 2.042 433 L HA -0.375 nan 4.340 nan 0.000 0.210 433 L C 1.927 178.861 176.870 0.108 0.000 1.076 433 L CA 3.115 57.992 54.840 0.061 0.000 0.749 433 L CB -0.737 41.347 42.059 0.041 0.000 0.893 433 L HN -0.276 7.855 8.230 0.026 0.115 0.432 434 A N -0.485 122.403 122.820 0.113 0.000 1.898 434 A HA -0.303 nan 4.320 nan 0.000 0.216 434 A C 2.260 180.046 177.584 0.336 0.000 1.181 434 A CA 3.125 55.286 52.037 0.207 0.000 0.620 434 A CB -0.920 18.142 19.000 0.103 0.000 0.819 434 A HN -0.537 7.656 8.150 0.072 0.000 0.442 435 I N -1.893 118.810 120.570 0.221 0.000 2.286 435 I HA -0.615 nan 4.170 nan 0.000 0.248 435 I C 2.353 178.603 176.117 0.222 0.000 1.115 435 I CA 4.217 65.644 61.300 0.212 0.000 1.392 435 I CB -0.183 37.905 38.000 0.147 0.000 1.065 435 I HN 0.171 8.472 8.210 0.151 0.000 0.418 436 E N -0.295 120.008 120.200 0.172 0.000 2.072 436 E HA -0.329 nan 4.350 nan 0.000 0.190 436 E C 2.488 179.180 176.600 0.153 0.000 0.982 436 E CA 3.191 59.677 56.400 0.143 0.000 0.803 436 E CB -0.279 29.481 29.700 0.100 0.000 0.755 436 E HN -0.075 8.372 8.360 0.146 0.000 0.453 437 K N -0.466 120.044 120.400 0.184 0.000 2.057 437 K HA -0.263 nan 4.320 nan 0.000 0.207 437 K C 2.239 178.911 176.600 0.120 0.000 1.049 437 K CA 2.091 58.478 56.287 0.167 0.000 0.931 437 K CB -0.691 31.955 32.500 0.244 0.000 0.714 437 K HN -0.385 7.984 8.250 0.198 0.000 0.440 438 F N -0.106 119.857 119.950 0.022 0.000 2.126 438 F HA -0.450 nan 4.527 nan 0.000 0.299 438 F C 0.936 176.689 175.800 -0.079 0.000 1.096 438 F CA 3.675 61.583 58.000 -0.153 0.000 1.255 438 F CB -0.112 38.794 39.000 -0.155 0.000 0.997 438 F HN -0.016 8.517 8.300 0.387 0.000 0.479 439 A N -0.914 122.025 122.820 0.199 0.000 1.858 439 A HA -0.433 nan 4.320 nan 0.000 0.216 439 A C 1.856 179.444 177.584 0.007 0.000 1.190 439 A CA 3.404 55.514 52.037 0.120 0.000 0.617 439 A CB -1.091 17.989 19.000 0.134 0.000 0.827 439 A HN -0.420 7.794 8.150 0.257 0.090 0.443 440 D N -1.230 119.174 120.400 0.008 0.000 2.149 440 D HA -0.356 nan 4.640 nan 0.000 0.198 440 D C 2.311 178.564 176.300 -0.079 0.000 0.990 440 D CA 3.088 57.077 54.000 -0.019 0.000 0.839 440 D CB -0.628 40.175 40.800 0.004 0.000 0.948 440 D HN -0.133 8.266 8.370 0.047 0.000 0.460 441 A N -0.305 122.424 122.820 -0.152 0.000 1.873 441 A HA -0.189 nan 4.320 nan 0.000 0.215 441 A C 2.535 179.965 177.584 -0.256 0.000 1.186 441 A CA 2.930 54.828 52.037 -0.232 0.000 0.616 441 A CB -0.432 18.343 19.000 -0.375 0.000 0.823 441 A HN 0.209 8.182 8.150 -0.146 0.089 0.442 442 I N -1.106 119.280 120.570 -0.307 0.000 2.264 442 I HA -0.483 nan 4.170 nan 0.000 0.248 442 I C 2.051 178.093 176.117 -0.126 0.000 1.111 442 I CA 2.296 63.462 61.300 -0.224 0.000 1.382 442 I CB -1.355 36.559 38.000 -0.143 0.000 1.060 442 I HN -0.002 7.991 8.210 -0.362 0.000 0.418 443 E N -1.153 118.989 120.200 -0.097 0.000 2.501 443 E HA -0.374 nan 4.350 nan 0.000 0.203 443 E C 2.117 178.676 176.600 -0.070 0.000 1.072 443 E CA 2.561 58.920 56.400 -0.068 0.000 0.885 443 E CB -0.667 29.006 29.700 -0.046 0.000 0.813 443 E HN -0.398 7.813 8.360 -0.098 0.090 0.556 444 E N -0.018 120.129 120.200 -0.088 0.000 2.077 444 E HA -0.284 nan 4.350 nan 0.000 0.193 444 E C 2.238 178.799 176.600 -0.065 0.000 0.989 444 E CA 2.622 58.976 56.400 -0.077 0.000 0.800 444 E CB -0.654 28.991 29.700 -0.092 0.000 0.746 444 E HN 0.104 8.175 8.360 -0.114 0.221 0.452 445 I N -0.938 119.592 120.570 -0.068 0.000 2.091 445 I HA -0.256 nan 4.170 nan 0.000 0.239 445 I C -0.602 175.485 176.117 -0.051 0.000 1.061 445 I CA 3.967 65.234 61.300 -0.055 0.000 1.317 445 I CB -3.619 34.350 38.000 -0.051 0.000 1.031 445 I HN -0.407 7.743 8.210 -0.079 0.013 0.401 446 P HA -0.216 nan 4.420 nan 0.000 0.216 446 P C 1.979 179.253 177.300 -0.044 0.000 1.150 446 P CA 3.296 66.367 63.100 -0.047 0.000 0.837 446 P CB -0.507 31.164 31.700 -0.049 0.000 0.786 447 R N -2.385 118.089 120.500 -0.043 0.000 2.070 447 R HA -0.352 nan 4.340 nan 0.000 0.233 447 R C 2.093 178.369 176.300 -0.039 0.000 1.137 447 R CA 3.583 59.660 56.100 -0.038 0.000 0.945 447 R CB -0.425 29.853 30.300 -0.036 0.000 0.845 447 R HN -0.505 7.734 8.270 -0.046 0.003 0.430 448 A N 0.259 123.054 122.820 -0.042 0.000 1.865 448 A HA -0.241 nan 4.320 nan 0.000 0.217 448 A C 2.232 179.789 177.584 -0.046 0.000 1.191 448 A CA 3.217 55.229 52.037 -0.041 0.000 0.623 448 A CB -0.924 18.051 19.000 -0.041 0.000 0.826 448 A HN 0.332 8.455 8.150 -0.045 0.000 0.444 449 L N -2.094 119.098 121.223 -0.052 0.000 2.013 449 L HA -0.517 nan 4.340 nan 0.000 0.212 449 L C 2.419 179.246 176.870 -0.072 0.000 1.073 449 L CA 2.983 57.783 54.840 -0.066 0.000 0.753 449 L CB -0.448 41.569 42.059 -0.070 0.000 0.890 449 L HN 0.283 8.483 8.230 -0.050 0.000 0.432 450 A N -1.886 120.898 122.820 -0.059 0.000 1.845 450 A HA -0.393 nan 4.320 nan 0.000 0.215 450 A C 1.898 179.454 177.584 -0.047 0.000 1.195 450 A CA 3.015 55.020 52.037 -0.054 0.000 0.616 450 A CB -1.035 17.941 19.000 -0.040 0.000 0.832 450 A HN 0.178 8.297 8.150 -0.053 0.000 0.443 451 E N -1.181 118.996 120.200 -0.039 0.000 2.068 451 E HA -0.459 nan 4.350 nan 0.000 0.207 451 E C 2.572 179.152 176.600 -0.033 0.000 1.032 451 E CA 2.881 59.262 56.400 -0.032 0.000 0.839 451 E CB -0.203 29.479 29.700 -0.029 0.000 0.758 451 E HN 0.262 8.493 8.360 -0.038 0.106 0.457 452 N N -2.256 116.420 118.700 -0.039 0.000 2.137 452 N HA -0.217 nan 4.740 nan 0.000 0.190 452 N C 1.204 176.690 175.510 -0.040 0.000 1.017 452 N CA 2.228 55.255 53.050 -0.037 0.000 0.859 452 N CB -0.331 38.132 38.487 -0.041 0.000 1.002 452 N HN 0.082 8.437 8.380 -0.041 0.000 0.428 453 A N -2.611 120.175 122.820 -0.055 0.000 1.855 453 A HA 0.011 nan 4.320 nan 0.000 0.213 453 A C 0.821 178.385 177.584 -0.033 0.000 1.195 453 A CA 1.337 53.340 52.037 -0.057 0.000 0.610 453 A CB 0.800 19.745 19.000 -0.092 0.000 0.837 453 A HN -0.274 7.732 8.150 -0.063 0.106 0.444 454 G N -4.176 104.605 108.800 -0.032 0.000 2.902 454 G HA2 -0.121 nan 3.960 nan 0.000 0.215 454 G HA3 -0.121 nan 3.960 nan 0.000 0.215 454 G C -0.243 174.645 174.900 -0.020 0.000 0.976 454 G CA -0.313 44.775 45.100 -0.020 0.000 0.794 454 G HN -0.283 7.984 8.290 -0.039 0.000 0.557 455 L N -0.532 120.675 121.223 -0.027 0.000 2.499 455 L HA -0.143 nan 4.340 nan 0.000 0.281 455 L C -0.306 176.553 176.870 -0.020 0.000 1.234 455 L CA 0.509 55.335 54.840 -0.024 0.000 0.839 455 L CB 0.494 42.533 42.059 -0.033 0.000 1.104 455 L HN -0.760 7.448 8.230 -0.037 0.000 0.500 456 D N 2.353 122.744 120.400 -0.014 0.000 2.344 456 D HA 0.234 nan 4.640 nan 0.000 0.253 456 D C -0.634 175.658 176.300 -0.013 0.000 1.255 456 D CA -2.533 51.460 54.000 -0.012 0.000 0.894 456 D CB 0.601 41.396 40.800 -0.007 0.000 1.067 456 D HN -0.003 8.360 8.370 -0.012 0.000 0.492 457 P HA -0.267 nan 4.420 nan 0.000 0.214 457 P C 1.009 178.301 177.300 -0.013 0.000 1.169 457 P CA 2.806 65.896 63.100 -0.018 0.000 0.908 457 P CB 0.004 31.693 31.700 -0.019 0.000 0.791 458 I N -5.096 115.468 120.570 -0.010 0.000 2.361 458 I HA -0.356 nan 4.170 nan 0.000 0.251 458 I C 1.270 177.385 176.117 -0.003 0.000 1.133 458 I CA 2.221 63.518 61.300 -0.006 0.000 1.413 458 I CB -0.132 37.865 38.000 -0.004 0.000 1.073 458 I HN 0.037 8.241 8.210 -0.010 0.000 0.424 459 D N 0.233 120.631 120.400 -0.003 0.000 2.120 459 D HA -0.129 nan 4.640 nan 0.000 0.202 459 D C 2.289 178.590 176.300 0.002 0.000 0.972 459 D CA 3.158 57.158 54.000 0.000 0.000 0.837 459 D CB 0.120 40.920 40.800 -0.000 0.000 0.989 459 D HN -0.707 7.731 8.370 -0.005 -0.071 0.469 460 I N 0.837 121.407 120.570 -0.001 0.000 2.179 460 I HA -0.366 nan 4.170 nan 0.000 0.242 460 I C 2.228 178.348 176.117 0.005 0.000 1.088 460 I CA 3.024 64.325 61.300 0.002 0.000 1.357 460 I CB -0.962 37.033 38.000 -0.008 0.000 1.051 460 I HN 0.055 8.262 8.210 -0.005 0.000 0.409 461 L N -0.705 120.515 121.223 -0.004 0.000 2.079 461 L HA -0.301 nan 4.340 nan 0.000 0.210 461 L C 2.655 179.525 176.870 -0.000 0.000 1.081 461 L CA 3.423 58.259 54.840 -0.006 0.000 0.752 461 L CB -1.521 40.531 42.059 -0.011 0.000 0.896 461 L HN 0.526 8.643 8.230 -0.007 0.108 0.433 462 L N -1.427 119.798 121.223 0.002 0.000 2.027 462 L HA -0.368 nan 4.340 nan 0.000 0.206 462 L C 2.166 179.040 176.870 0.007 0.000 1.074 462 L CA 3.057 57.898 54.840 0.003 0.000 0.745 462 L CB -0.977 41.084 42.059 0.003 0.000 0.898 462 L HN -0.601 7.536 8.230 0.001 0.094 0.433 463 K N -0.572 119.838 120.400 0.015 0.000 2.097 463 K HA -0.362 nan 4.320 nan 0.000 0.206 463 K C 2.585 179.215 176.600 0.049 0.000 1.049 463 K CA 3.458 59.762 56.287 0.028 0.000 0.933 463 K CB -0.246 32.275 32.500 0.035 0.000 0.717 463 K HN -0.270 7.988 8.250 0.014 0.000 0.442 464 L N -0.579 120.676 121.223 0.054 0.000 2.017 464 L HA -0.377 nan 4.340 nan 0.000 0.208 464 L C 1.622 178.538 176.870 0.077 0.000 1.073 464 L CA 2.981 57.878 54.840 0.094 0.000 0.745 464 L CB -0.390 41.692 42.059 0.039 0.000 0.894 464 L HN 0.482 8.544 8.230 0.035 0.190 0.432 465 R N -1.932 118.572 120.500 0.008 0.000 2.083 465 R HA -0.472 nan 4.340 nan 0.000 0.237 465 R C 2.041 178.288 176.300 -0.089 0.000 1.137 465 R CA 3.639 59.716 56.100 -0.038 0.000 0.951 465 R CB -0.383 29.901 30.300 -0.025 0.000 0.851 465 R HN -0.067 8.206 8.270 0.005 0.000 0.434 466 A N -0.486 122.300 122.820 -0.057 0.000 1.842 466 A HA -0.353 nan 4.320 nan 0.000 0.217 466 A C 2.267 179.767 177.584 -0.140 0.000 1.206 466 A CA 3.231 55.218 52.037 -0.085 0.000 0.630 466 A CB -1.143 17.832 19.000 -0.041 0.000 0.839 466 A HN -0.012 8.124 8.150 -0.024 0.000 0.447 467 E N -2.392 117.745 120.200 -0.106 0.000 2.097 467 E HA -0.430 nan 4.350 nan 0.000 0.196 467 E C 2.780 179.155 176.600 -0.376 0.000 1.000 467 E CA 3.136 59.388 56.400 -0.246 0.000 0.804 467 E CB -0.457 29.131 29.700 -0.187 0.000 0.740 467 E HN -0.480 7.864 8.360 -0.028 0.000 0.454 468 H N -1.008 117.881 119.070 -0.301 0.000 2.457 468 H HA -0.166 nan 4.556 nan 0.000 0.294 468 H C 2.385 177.263 175.328 -0.750 0.000 1.064 468 H CA 3.035 58.861 56.048 -0.370 0.000 1.330 468 H CB 0.181 29.807 29.762 -0.228 0.000 1.395 468 H HN -0.340 7.944 8.280 0.016 0.005 0.541 469 A N 0.476 122.854 122.820 -0.737 0.000 1.877 469 A HA -0.197 nan 4.320 nan 0.000 0.216 469 A C 2.006 179.336 177.584 -0.422 0.000 1.186 469 A CA 2.780 54.260 52.037 -0.929 0.000 0.620 469 A CB -0.379 18.354 19.000 -0.444 0.000 0.822 469 A HN 0.346 8.102 8.150 -0.464 0.115 0.443 470 K N -1.672 118.551 120.400 -0.295 0.000 2.668 470 K HA -0.151 nan 4.320 nan 0.000 0.204 470 K C -0.346 176.136 176.600 -0.198 0.000 1.016 470 K CA -0.289 55.882 56.287 -0.193 0.000 1.131 470 K CB -1.644 30.745 32.500 -0.186 0.000 0.891 470 K HN -0.139 7.924 8.250 -0.311 0.000 0.499 471 G N -1.575 107.115 108.800 -0.184 0.000 2.249 471 G HA2 -0.391 nan 3.960 nan 0.000 0.273 471 G HA3 -0.391 nan 3.960 nan 0.000 0.273 471 G C -0.144 174.608 174.900 -0.246 0.000 1.036 471 G CA 0.260 45.288 45.100 -0.120 0.000 0.824 471 G HN -0.033 7.928 8.290 -0.217 0.199 0.504 472 N N 1.736 120.149 118.700 -0.477 0.000 3.331 472 N HA 0.122 nan 4.740 nan 0.000 0.303 472 N C 0.102 175.198 175.510 -0.689 0.000 1.326 472 N CA -1.508 51.120 53.050 -0.702 0.000 1.207 472 N CB -0.709 36.935 38.487 -1.405 0.000 1.477 472 N HN 0.144 8.099 8.380 -0.506 0.121 0.541 473 K N -0.760 119.449 120.400 -0.318 0.000 2.588 473 K HA -0.351 nan 4.320 nan 0.000 0.196 473 K C -0.467 176.181 176.600 0.080 0.000 1.044 473 K CA 2.347 58.583 56.287 -0.086 0.000 0.934 473 K CB -0.673 31.863 32.500 0.060 0.000 0.773 473 K HN -0.367 7.695 8.250 -0.201 0.068 0.489 474 T N -9.830 104.766 114.554 0.071 0.000 3.170 474 T HA 0.195 nan 4.350 nan 0.000 0.288 474 T C -0.741 174.159 174.700 0.333 0.000 0.992 474 T CA -1.677 60.560 62.100 0.229 0.000 0.909 474 T CB -0.198 68.781 68.868 0.184 0.000 1.133 474 T HN -0.771 7.397 8.240 0.012 0.079 0.530 475 Y N 3.847 124.149 120.300 0.004 0.000 2.531 475 Y HA 0.178 nan 4.550 nan 0.000 0.347 475 Y C -0.113 175.938 175.900 0.251 0.000 1.024 475 Y CA -0.652 57.501 58.100 0.088 0.000 1.306 475 Y CB -1.171 37.275 38.460 -0.024 0.000 1.149 475 Y HN 0.247 8.611 8.280 0.139 0.000 0.527 476 G N 2.856 111.756 108.800 0.167 0.000 3.175 476 G HA2 0.691 nan 3.960 nan 0.000 0.255 476 G HA3 0.691 nan 3.960 nan 0.000 0.255 476 G C -2.748 172.171 174.900 0.032 0.000 1.352 476 G CA -1.855 43.311 45.100 0.110 0.000 1.037 476 G HN 0.521 8.829 8.290 0.030 0.000 0.556 477 I N -1.852 118.715 120.570 -0.004 0.000 2.291 477 I HA 0.024 nan 4.170 nan 0.000 0.290 477 I C -0.676 175.395 176.117 -0.077 0.000 1.050 477 I CA -0.851 60.426 61.300 -0.038 0.000 1.245 477 I CB -0.190 37.779 38.000 -0.053 0.000 1.405 477 I HN 0.460 8.557 8.210 -0.005 0.111 0.478 478 N N 9.099 127.759 118.700 -0.067 0.000 2.549 478 N HA 0.028 nan 4.740 nan 0.000 0.267 478 N C 1.024 176.444 175.510 -0.150 0.000 1.182 478 N CA -0.171 52.839 53.050 -0.066 0.000 1.019 478 N CB -0.008 38.484 38.487 0.008 0.000 1.380 478 N HN 0.116 8.466 8.380 -0.050 0.000 0.505 479 V N -0.540 119.165 119.914 -0.349 0.000 3.099 479 V HA -0.285 nan 4.120 nan 0.000 0.269 479 V C 0.014 175.867 176.094 -0.401 0.000 1.150 479 V CA 2.120 64.171 62.300 -0.415 0.000 1.165 479 V CB -1.491 30.029 31.823 -0.506 0.000 0.756 479 V HN -0.175 7.782 8.190 -0.368 0.013 0.527 480 F N -3.155 116.786 119.950 -0.014 0.000 2.274 480 F HA 0.072 nan 4.527 nan 0.000 0.288 480 F C 1.947 177.738 175.800 -0.015 0.000 1.069 480 F CA 1.459 59.451 58.000 -0.014 0.000 1.343 480 F CB 0.193 39.184 39.000 -0.016 0.000 1.089 480 F HN -0.752 7.483 8.300 -0.256 -0.088 0.517 481 T N -7.075 107.574 114.554 0.159 0.000 3.051 481 T HA 0.091 nan 4.350 nan 0.000 0.255 481 T C 1.854 176.574 174.700 0.034 0.000 1.085 481 T CA 0.289 62.438 62.100 0.081 0.000 1.109 481 T CB 1.225 70.130 68.868 0.062 0.000 0.921 481 T HN 0.039 8.777 8.240 0.171 -0.395 0.488 482 G N 3.418 112.223 108.800 0.008 0.000 2.159 482 G HA2 -0.469 nan 3.960 nan 0.000 0.256 482 G HA3 -0.469 nan 3.960 nan 0.000 0.256 482 G C -1.358 173.536 174.900 -0.009 0.000 0.977 482 G CA 0.214 45.307 45.100 -0.011 0.000 0.652 482 G HN 0.392 8.682 8.290 0.000 0.000 0.531 483 E N -0.429 119.768 120.200 -0.006 0.000 2.250 483 E HA 0.171 nan 4.350 nan 0.000 0.269 483 E C -1.099 175.486 176.600 -0.025 0.000 1.018 483 E CA -1.594 54.800 56.400 -0.011 0.000 0.873 483 E CB 2.072 31.765 29.700 -0.013 0.000 1.134 483 E HN -0.484 7.812 8.360 0.000 0.064 0.403 484 I N 3.356 123.917 120.570 -0.015 0.000 2.268 484 I HA -0.052 nan 4.170 nan 0.000 0.290 484 I C -0.884 175.136 176.117 -0.161 0.000 1.125 484 I CA -1.422 59.870 61.300 -0.013 0.000 1.236 484 I CB -0.776 37.278 38.000 0.091 0.000 1.469 484 I HN 0.247 8.459 8.210 0.002 0.000 0.512 485 E N 5.656 125.706 120.200 -0.250 0.000 2.518 485 E HA 0.168 nan 4.350 nan 0.000 0.248 485 E C -1.674 174.548 176.600 -0.630 0.000 1.028 485 E CA -2.079 54.051 56.400 -0.450 0.000 0.922 485 E CB 1.968 31.538 29.700 -0.217 0.000 1.299 485 E HN -0.552 7.718 8.360 -0.150 0.000 0.457 486 D N 0.080 120.159 120.400 -0.535 0.000 2.344 486 D HA 0.063 nan 4.640 nan 0.000 0.253 486 D C 0.923 177.159 176.300 -0.106 0.000 1.255 486 D CA 0.500 54.319 54.000 -0.303 0.000 0.894 486 D CB 0.055 40.769 40.800 -0.143 0.000 1.067 486 D HN 0.042 8.158 8.370 -0.423 0.000 0.492 487 M N 6.415 125.997 119.600 -0.030 0.000 2.159 487 M HA -0.287 nan 4.480 nan 0.000 0.263 487 M C 2.085 178.405 176.300 0.034 0.000 1.063 487 M CA 2.094 57.405 55.300 0.018 0.000 1.110 487 M CB -1.046 31.590 32.600 0.059 0.000 1.374 487 M HN 0.707 8.994 8.290 -0.006 0.000 0.411 488 V N -6.094 113.857 119.914 0.061 0.000 2.548 488 V HA -0.162 nan 4.120 nan 0.000 0.249 488 V C 1.416 177.523 176.094 0.021 0.000 1.055 488 V CA 2.885 65.223 62.300 0.064 0.000 1.065 488 V CB -0.913 30.994 31.823 0.141 0.000 0.681 488 V HN -0.369 8.033 8.190 0.076 -0.167 0.462 489 K N 1.415 121.824 120.400 0.016 0.000 1.973 489 K HA -0.234 nan 4.320 nan 0.000 0.210 489 K C 1.763 178.354 176.600 -0.014 0.000 1.045 489 K CA 2.454 58.740 56.287 -0.001 0.000 0.937 489 K CB 0.253 32.747 32.500 -0.011 0.000 0.721 489 K HN -0.497 7.998 8.250 0.020 -0.233 0.438 490 N N -2.527 116.163 118.700 -0.016 0.000 2.635 490 N HA -0.227 nan 4.740 nan 0.000 0.191 490 N C -0.432 175.076 175.510 -0.003 0.000 1.155 490 N CA 1.089 54.135 53.050 -0.007 0.000 0.927 490 N CB 0.042 38.534 38.487 0.007 0.000 0.976 490 N HN -0.165 8.202 8.380 -0.023 0.000 0.448 491 G N -3.197 105.593 108.800 -0.016 0.000 2.179 491 G HA2 -0.254 nan 3.960 nan 0.000 0.260 491 G HA3 -0.254 nan 3.960 nan 0.000 0.260 491 G C -0.572 174.312 174.900 -0.026 0.000 0.977 491 G CA 0.124 45.203 45.100 -0.036 0.000 0.641 491 G HN -0.822 7.315 8.290 -0.015 0.144 0.533 492 V N -1.987 117.930 119.914 0.006 0.000 2.387 492 V HA 0.380 nan 4.120 nan 0.000 0.260 492 V C -1.341 174.764 176.094 0.019 0.000 1.054 492 V CA -1.173 61.138 62.300 0.019 0.000 0.967 492 V CB -1.633 30.212 31.823 0.036 0.000 1.036 492 V HN -0.284 7.914 8.190 0.014 0.000 0.481 493 I N 0.923 121.493 120.570 -0.001 0.000 2.994 493 I HA 1.000 nan 4.170 nan 0.000 0.306 493 I C -1.907 174.230 176.117 0.033 0.000 1.195 493 I CA -1.337 59.974 61.300 0.018 0.000 1.001 493 I CB 3.923 41.851 38.000 -0.119 0.000 1.244 493 I HN -0.465 7.737 8.210 -0.014 0.000 0.437 494 E N -0.813 119.444 120.200 0.095 0.000 2.383 494 E HA 0.622 nan 4.350 nan 0.000 0.275 494 E C -3.199 173.484 176.600 0.139 0.000 0.918 494 E CA -3.351 53.103 56.400 0.091 0.000 0.764 494 E CB 1.667 31.411 29.700 0.073 0.000 1.252 494 E HN 0.532 8.983 8.360 0.151 0.000 0.449 495 P HA -0.123 nan 4.420 nan 0.000 0.265 495 P C -0.239 177.126 177.300 0.109 0.000 1.187 495 P CA 0.378 63.556 63.100 0.129 0.000 0.766 495 P CB 0.325 32.085 31.700 0.100 0.000 0.820 496 I N 2.954 123.583 120.570 0.099 0.000 2.286 496 I HA -0.504 nan 4.170 nan 0.000 0.248 496 I C 1.123 177.272 176.117 0.053 0.000 1.115 496 I CA 2.677 64.015 61.300 0.064 0.000 1.392 496 I CB 0.309 38.330 38.000 0.035 0.000 1.065 496 I HN -0.410 7.866 8.210 0.110 0.000 0.418 497 R N -0.811 119.724 120.500 0.058 0.000 2.117 497 R HA -0.414 nan 4.340 nan 0.000 0.243 497 R C 2.086 178.417 176.300 0.051 0.000 1.143 497 R CA 3.747 59.879 56.100 0.052 0.000 0.968 497 R CB -0.197 30.142 30.300 0.065 0.000 0.863 497 R HN -0.520 7.995 8.270 0.068 -0.204 0.444 498 V N -2.218 117.730 119.914 0.058 0.000 2.255 498 V HA -0.347 nan 4.120 nan 0.000 0.247 498 V C 1.695 177.814 176.094 0.041 0.000 1.051 498 V CA 4.201 66.532 62.300 0.052 0.000 1.018 498 V CB -0.741 31.114 31.823 0.054 0.000 0.641 498 V HN -0.612 7.598 8.190 0.065 0.019 0.445 499 G N -2.087 106.737 108.800 0.040 0.000 2.440 499 G HA2 -0.383 nan 3.960 nan 0.000 0.218 499 G HA3 -0.383 nan 3.960 nan 0.000 0.218 499 G C 1.085 176.001 174.900 0.026 0.000 1.154 499 G CA 2.245 47.364 45.100 0.032 0.000 0.767 499 G HN -0.332 7.987 8.290 0.047 0.000 0.552 500 K N 1.574 121.986 120.400 0.020 0.000 2.057 500 K HA -0.393 nan 4.320 nan 0.000 0.207 500 K C 2.518 179.117 176.600 -0.001 0.000 1.049 500 K CA 3.365 59.656 56.287 0.007 0.000 0.931 500 K CB -0.216 32.281 32.500 -0.005 0.000 0.714 500 K HN -0.700 7.565 8.250 0.024 0.000 0.440 501 Q N -0.775 119.024 119.800 -0.001 0.000 2.046 501 Q HA -0.314 nan 4.340 nan 0.000 0.200 501 Q C 2.232 178.238 176.000 0.010 0.000 0.975 501 Q CA 3.369 59.166 55.803 -0.011 0.000 0.836 501 Q CB -0.282 28.464 28.738 0.013 0.000 0.896 501 Q HN -0.600 7.676 8.270 0.011 0.000 0.428 502 A N 0.023 122.857 122.820 0.022 0.000 1.884 502 A HA -0.358 nan 4.320 nan 0.000 0.219 502 A C 1.884 179.479 177.584 0.019 0.000 1.197 502 A CA 3.275 55.323 52.037 0.018 0.000 0.637 502 A CB -0.820 18.187 19.000 0.011 0.000 0.827 502 A HN -0.408 7.757 8.150 0.025 0.000 0.450 503 I N -4.070 116.520 120.570 0.033 0.000 2.286 503 I HA -0.494 nan 4.170 nan 0.000 0.248 503 I C 1.642 177.810 176.117 0.086 0.000 1.115 503 I CA 3.587 64.937 61.300 0.083 0.000 1.392 503 I CB -0.298 37.790 38.000 0.146 0.000 1.065 503 I HN -0.507 7.721 8.210 0.031 0.000 0.418 504 E N 0.778 120.998 120.200 0.034 0.000 2.015 504 E HA -0.382 nan 4.350 nan 0.000 0.191 504 E C 2.636 179.245 176.600 0.015 0.000 0.991 504 E CA 3.534 59.938 56.400 0.007 0.000 0.802 504 E CB -0.056 29.615 29.700 -0.048 0.000 0.759 504 E HN -0.047 8.130 8.360 0.019 0.195 0.447 505 S N -0.084 115.623 115.700 0.011 0.000 2.368 505 S HA -0.331 nan 4.470 nan 0.000 0.225 505 S C 2.222 176.844 174.600 0.037 0.000 1.030 505 S CA 3.553 61.770 58.200 0.029 0.000 0.999 505 S CB -0.365 62.862 63.200 0.046 0.000 0.844 505 S HN 0.482 8.684 8.310 0.004 0.110 0.459 506 A N 0.567 123.405 122.820 0.030 0.000 1.877 506 A HA -0.241 nan 4.320 nan 0.000 0.216 506 A C 1.627 179.238 177.584 0.046 0.000 1.186 506 A CA 3.369 55.415 52.037 0.015 0.000 0.620 506 A CB -0.833 18.149 19.000 -0.029 0.000 0.822 506 A HN 0.434 8.494 8.150 0.027 0.106 0.443 507 T N -2.963 111.649 114.554 0.097 0.000 2.915 507 T HA -0.270 nan 4.350 nan 0.000 0.269 507 T C 2.169 176.949 174.700 0.134 0.000 1.071 507 T CA 4.070 66.265 62.100 0.159 0.000 1.132 507 T CB -0.626 68.388 68.868 0.242 0.000 0.878 507 T HN 0.020 8.322 8.240 0.104 0.000 0.479 508 E N 1.240 121.493 120.200 0.087 0.000 2.208 508 E HA -0.243 nan 4.350 nan 0.000 0.193 508 E C 1.847 178.492 176.600 0.075 0.000 0.988 508 E CA 2.879 59.323 56.400 0.073 0.000 0.828 508 E CB -0.375 29.352 29.700 0.045 0.000 0.763 508 E HN -0.208 8.185 8.360 0.070 0.009 0.478 509 A N -0.507 122.356 122.820 0.071 0.000 1.840 509 A HA -0.156 nan 4.320 nan 0.000 0.214 509 A C 1.781 179.416 177.584 0.085 0.000 1.198 509 A CA 2.989 55.065 52.037 0.065 0.000 0.608 509 A CB -0.842 18.188 19.000 0.050 0.000 0.839 509 A HN -0.405 7.773 8.150 0.066 0.012 0.443 510 A N -0.962 121.924 122.820 0.109 0.000 1.903 510 A HA -0.398 nan 4.320 nan 0.000 0.219 510 A C 2.273 179.961 177.584 0.173 0.000 1.191 510 A CA 3.060 55.198 52.037 0.167 0.000 0.638 510 A CB -0.761 18.394 19.000 0.259 0.000 0.823 510 A HN -0.436 7.771 8.150 0.095 0.000 0.451 511 I N -2.552 118.122 120.570 0.174 0.000 2.226 511 I HA -0.542 nan 4.170 nan 0.000 0.245 511 I C 1.753 177.915 176.117 0.075 0.000 1.100 511 I CA 3.844 65.218 61.300 0.124 0.000 1.374 511 I CB 0.013 38.086 38.000 0.122 0.000 1.057 511 I HN -0.066 8.254 8.210 0.183 0.000 0.413 512 M N 0.162 119.804 119.600 0.070 0.000 2.059 512 M HA -0.394 nan 4.480 nan 0.000 0.259 512 M C 2.442 178.770 176.300 0.047 0.000 1.072 512 M CA 3.999 59.330 55.300 0.052 0.000 1.117 512 M CB -0.116 32.514 32.600 0.051 0.000 1.320 512 M HN -0.852 7.409 8.290 0.079 0.076 0.408 513 I N -0.694 119.908 120.570 0.053 0.000 2.335 513 I HA -0.386 nan 4.170 nan 0.000 0.251 513 I C 1.582 177.720 176.117 0.035 0.000 1.129 513 I CA 3.413 64.741 61.300 0.047 0.000 1.402 513 I CB -0.208 37.823 38.000 0.051 0.000 1.069 513 I HN -0.125 8.122 8.210 0.061 0.000 0.424 514 L N -3.810 117.435 121.223 0.036 0.000 2.376 514 L HA -0.170 nan 4.340 nan 0.000 0.219 514 L C 0.770 177.634 176.870 -0.008 0.000 1.133 514 L CA 1.683 56.527 54.840 0.007 0.000 0.816 514 L CB -0.423 41.635 42.059 -0.002 0.000 0.933 514 L HN -0.316 7.852 8.230 0.054 0.094 0.449 515 R N -4.115 116.391 120.500 0.009 0.000 2.237 515 R HA -0.055 nan 4.340 nan 0.000 0.195 515 R C 0.691 176.994 176.300 0.005 0.000 0.956 515 R CA 0.304 56.408 56.100 0.008 0.000 1.029 515 R CB 0.887 31.201 30.300 0.023 0.000 0.972 515 R HN -0.697 7.433 8.270 0.023 0.154 0.493 516 I N 3.013 123.590 120.570 0.011 0.000 2.471 516 I HA -0.321 nan 4.170 nan 0.000 0.294 516 I C -0.650 175.469 176.117 0.003 0.000 1.123 516 I CA 1.187 62.494 61.300 0.012 0.000 1.336 516 I CB -0.797 37.216 38.000 0.022 0.000 1.430 516 I HN -0.817 7.403 8.210 0.016 0.000 0.533 517 D N 4.626 125.024 120.400 -0.003 0.000 2.340 517 D HA -0.097 nan 4.640 nan 0.000 0.217 517 D C -1.138 175.160 176.300 -0.003 0.000 1.081 517 D CA -0.171 53.823 54.000 -0.011 0.000 0.842 517 D CB 0.680 41.468 40.800 -0.021 0.000 0.934 517 D HN -0.080 8.290 8.370 -0.000 0.000 0.511 518 D N -2.126 118.276 120.400 0.003 0.000 2.787 518 D HA 0.043 nan 4.640 nan 0.000 0.215 518 D C -1.892 174.410 176.300 0.002 0.000 1.246 518 D CA -0.159 53.843 54.000 0.003 0.000 0.798 518 D CB 1.978 42.778 40.800 0.000 0.000 1.649 518 D HN -0.716 7.589 8.370 0.005 0.069 0.507 519 V N 3.434 123.346 119.914 -0.003 0.000 2.380 519 V HA 0.401 nan 4.120 nan 0.000 0.286 519 V C -1.488 174.590 176.094 -0.027 0.000 1.015 519 V CA -0.604 61.686 62.300 -0.016 0.000 0.834 519 V CB -0.005 31.802 31.823 -0.026 0.000 1.009 519 V HN 0.237 8.426 8.190 -0.002 0.000 0.428 520 I N 5.071 125.627 120.570 -0.023 0.000 3.170 520 I HA 0.615 nan 4.170 nan 0.000 0.312 520 I C -0.369 175.733 176.117 -0.025 0.000 1.085 520 I CA -1.053 60.233 61.300 -0.023 0.000 0.999 520 I CB 1.614 39.605 38.000 -0.014 0.000 1.233 520 I HN 0.037 8.236 8.210 -0.018 0.000 0.467 521 A N 0.000 122.806 122.820 -0.023 0.000 2.254 521 A HA 0.000 nan 4.320 nan 0.000 0.244 521 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 521 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 521 A HN 0.000 8.137 8.150 -0.021 0.000 0.486