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 2wk5_1_A DATA FIRST_RESID 32 DATA SEQUENCE EPKQLPELIR MKRDGGRLSE ADIRGFVAAV VNGSAQGAQI GAMLMAIRLR DATA SEQUENCE GMDLEETSVL TQALAQSGQQ LEWPEAWRQQ LVDKHSTGGV GDKVSLVLAP DATA SEQUENCE ALAACGCKVP MISGRGLGHT GGTLDKLESI PGFNVIQSPE QMQVLLDQAG DATA SEQUENCE CCIVGQSEQL VPADGILYAA RDVTATVDSL PLITASILSK KLVEGLSALV DATA SEQUENCE VDVKFGGAAV FPNQEQAREL AKTLVGVGAS LGLRVAAALT AMDKPLGRCV DATA SEQUENCE GHALEVEEAL LCMDGAGPPD LRDLVTTLGG ALLWLSGHAG TQAQGAARVA DATA SEQUENCE AALDDGSALG RFERMLAAQG VDPGLARALC SGSPAERRQL LPRAREQEEL DATA SEQUENCE LAPADGTVEL VRALPLALVL HELGAGRSRA GEPLRLGVGA ELLVDVGQRL DATA SEQUENCE RRGTPWLRVH RDGPALSGPQ SRALQEALVL SDRAPFAAPS PFAELVLPP 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 32 E HA 0.000 nan 4.350 nan 0.000 0.291 32 E C 0.000 176.612 176.600 0.020 0.000 1.382 32 E CA 0.000 56.410 56.400 0.016 0.000 0.976 32 E CB 0.000 29.707 29.700 0.012 0.000 0.812 33 P HA 0.145 nan 4.420 nan 0.000 0.247 33 P C -0.883 176.432 177.300 0.025 0.000 1.147 33 P CA 0.547 63.662 63.100 0.026 0.000 0.964 33 P CB -0.281 31.433 31.700 0.023 0.000 0.944 34 K N 2.538 122.955 120.400 0.028 0.000 2.130 34 K HA 0.250 4.569 4.320 -0.002 0.000 0.268 34 K C 0.466 177.084 176.600 0.031 0.000 0.983 34 K CA -0.792 55.509 56.287 0.023 0.000 0.893 34 K CB 1.137 33.647 32.500 0.016 0.000 1.066 34 K HN 0.395 nan 8.250 nan 0.000 0.450 35 Q N 1.541 121.357 119.800 0.026 0.000 2.432 35 Q HA -0.051 4.288 4.340 -0.002 0.000 0.264 35 Q C 1.186 177.209 176.000 0.038 0.000 1.035 35 Q CA 0.049 55.871 55.803 0.031 0.000 0.908 35 Q CB 0.625 29.377 28.738 0.023 0.000 1.280 35 Q HN 0.562 nan 8.270 nan 0.000 0.455 36 L N 3.451 124.709 121.223 0.057 0.000 1.989 36 L HA -0.195 4.144 4.340 -0.002 0.000 0.211 36 L C -0.805 176.084 176.870 0.032 0.000 1.071 36 L CA 1.482 56.366 54.840 0.074 0.000 0.749 36 L CB -0.964 41.165 42.059 0.117 0.000 0.890 36 L HN 0.622 nan 8.230 nan 0.000 0.431 37 P HA -0.219 nan 4.420 nan 0.000 0.217 37 P C 1.132 178.428 177.300 -0.007 0.000 1.148 37 P CA 1.248 64.353 63.100 0.010 0.000 0.828 37 P CB 0.108 31.816 31.700 0.013 0.000 0.783 38 E N -0.408 119.789 120.200 -0.004 0.000 2.072 38 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 38 E C 1.882 178.464 176.600 -0.030 0.000 0.985 38 E CA 1.049 57.442 56.400 -0.012 0.000 0.801 38 E CB -1.096 28.602 29.700 -0.003 0.000 0.750 38 E HN 0.130 nan 8.360 nan 0.000 0.452 39 L N 0.018 121.215 121.223 -0.043 0.000 2.017 39 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 39 L C 2.526 179.326 176.870 -0.116 0.000 1.073 39 L CA 1.149 55.938 54.840 -0.084 0.000 0.745 39 L CB -0.490 41.497 42.059 -0.120 0.000 0.894 39 L HN 0.192 nan 8.230 nan 0.000 0.432 40 I N -0.465 120.034 120.570 -0.118 0.000 2.208 40 I HA -0.338 3.831 4.170 -0.002 0.000 0.245 40 I C 2.909 178.985 176.117 -0.068 0.000 1.097 40 I CA 1.252 62.486 61.300 -0.110 0.000 1.363 40 I CB -0.348 37.609 38.000 -0.071 0.000 1.051 40 I HN 0.267 nan 8.210 nan 0.000 0.413 41 R N 0.622 121.095 120.500 -0.046 0.000 2.096 41 R HA -0.198 4.141 4.340 -0.002 0.000 0.235 41 R C 2.357 178.637 176.300 -0.033 0.000 1.127 41 R CA 1.562 57.644 56.100 -0.031 0.000 0.968 41 R CB -0.192 30.096 30.300 -0.020 0.000 0.861 41 R HN 0.316 nan 8.270 nan 0.000 0.440 42 M N 0.415 119.991 119.600 -0.041 0.000 2.067 42 M HA -0.190 4.288 4.480 -0.002 0.000 0.260 42 M C 2.166 178.441 176.300 -0.042 0.000 1.069 42 M CA 1.654 56.932 55.300 -0.037 0.000 1.117 42 M CB -0.041 32.535 32.600 -0.040 0.000 1.334 42 M HN -0.044 nan 8.290 nan 0.000 0.407 43 K N -0.157 120.207 120.400 -0.060 0.000 2.097 43 K HA -0.179 4.140 4.320 -0.002 0.000 0.205 43 K C 2.010 178.586 176.600 -0.040 0.000 1.050 43 K CA 1.178 57.430 56.287 -0.058 0.000 0.938 43 K CB -0.409 32.038 32.500 -0.089 0.000 0.718 43 K HN 0.400 nan 8.250 nan 0.000 0.442 44 R N 1.128 121.604 120.500 -0.040 0.000 2.091 44 R HA -0.154 4.185 4.340 -0.002 0.000 0.238 44 R C 0.465 176.754 176.300 -0.019 0.000 1.136 44 R CA 1.993 58.078 56.100 -0.026 0.000 0.959 44 R CB -0.082 30.204 30.300 -0.024 0.000 0.856 44 R HN 0.027 nan 8.270 nan 0.000 0.437 45 D N -0.710 119.678 120.400 -0.019 0.000 2.323 45 D HA 0.125 4.764 4.640 -0.002 0.000 0.239 45 D C 0.593 176.885 176.300 -0.012 0.000 1.129 45 D CA 0.932 54.924 54.000 -0.014 0.000 0.865 45 D CB 0.336 41.128 40.800 -0.013 0.000 0.913 45 D HN 0.548 nan 8.370 nan 0.000 0.517 46 G N 0.042 108.834 108.800 -0.014 0.000 2.198 46 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.260 46 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.260 46 G C 0.686 175.579 174.900 -0.012 0.000 1.025 46 G CA 0.037 45.130 45.100 -0.011 0.000 0.769 46 G HN 0.582 nan 8.290 nan 0.000 0.507 47 G N -0.901 107.888 108.800 -0.017 0.000 2.425 47 G HA2 0.597 4.556 3.960 -0.002 0.000 0.302 47 G HA3 0.597 4.556 3.960 -0.002 0.000 0.302 47 G C 0.233 175.122 174.900 -0.018 0.000 1.159 47 G CA -0.774 44.316 45.100 -0.016 0.000 0.865 47 G HN 0.466 nan 8.290 nan 0.000 0.515 48 R N -0.024 120.469 120.500 -0.013 0.000 2.539 48 R HA 0.277 4.616 4.340 -0.002 0.000 0.275 48 R C -0.146 176.145 176.300 -0.015 0.000 1.077 48 R CA -0.253 55.841 56.100 -0.010 0.000 1.097 48 R CB 0.791 31.088 30.300 -0.004 0.000 1.018 48 R HN 0.315 nan 8.270 nan 0.000 0.483 49 L N 2.259 123.473 121.223 -0.015 0.000 2.295 49 L HA 0.237 4.576 4.340 -0.002 0.000 0.285 49 L C 0.695 177.566 176.870 0.001 0.000 1.035 49 L CA -0.458 54.373 54.840 -0.016 0.000 0.806 49 L CB 1.708 43.749 42.059 -0.030 0.000 1.214 49 L HN 0.757 nan 8.230 nan 0.000 0.426 50 S N 1.302 117.005 115.700 0.005 0.000 2.608 50 S HA 0.039 4.508 4.470 -0.002 0.000 0.261 50 S C 0.946 175.560 174.600 0.022 0.000 1.314 50 S CA -0.301 57.906 58.200 0.012 0.000 0.992 50 S CB 1.264 64.471 63.200 0.012 0.000 0.935 50 S HN 0.772 nan 8.310 nan 0.000 0.564 51 E N 0.939 121.153 120.200 0.023 0.000 2.153 51 E HA -0.141 4.207 4.350 -0.002 0.000 0.194 51 E C 2.104 178.725 176.600 0.035 0.000 0.988 51 E CA 1.221 57.639 56.400 0.029 0.000 0.811 51 E CB -0.548 29.166 29.700 0.023 0.000 0.746 51 E HN 0.813 nan 8.360 nan 0.000 0.466 52 A N 1.143 123.981 122.820 0.030 0.000 1.873 52 A HA -0.189 4.130 4.320 -0.002 0.000 0.215 52 A C 1.809 179.421 177.584 0.046 0.000 1.186 52 A CA 1.697 53.754 52.037 0.033 0.000 0.616 52 A CB -0.414 18.601 19.000 0.025 0.000 0.823 52 A HN 0.228 nan 8.150 nan 0.000 0.442 53 D N 0.208 120.633 120.400 0.041 0.000 2.117 53 D HA -0.117 4.522 4.640 -0.002 0.000 0.197 53 D C 1.920 178.274 176.300 0.089 0.000 0.987 53 D CA 1.245 55.274 54.000 0.048 0.000 0.829 53 D CB -0.335 40.475 40.800 0.016 0.000 0.961 53 D HN 0.534 nan 8.370 nan 0.000 0.460 54 I N 0.625 121.246 120.570 0.085 0.000 2.202 54 I HA -0.211 3.957 4.170 -0.002 0.000 0.242 54 I C 2.571 178.789 176.117 0.169 0.000 1.091 54 I CA 0.859 62.243 61.300 0.140 0.000 1.368 54 I CB -0.230 37.830 38.000 0.099 0.000 1.058 54 I HN -0.091 nan 8.210 nan 0.000 0.410 55 R N 0.948 121.509 120.500 0.102 0.000 2.097 55 R HA -0.157 4.181 4.340 -0.002 0.000 0.236 55 R C 2.477 178.825 176.300 0.079 0.000 1.135 55 R CA 1.816 57.960 56.100 0.074 0.000 0.934 55 R CB -1.055 29.273 30.300 0.047 0.000 0.846 55 R HN 0.464 nan 8.270 nan 0.000 0.431 56 G N 0.874 109.726 108.800 0.088 0.000 2.505 56 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.220 56 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.220 56 G C 1.230 176.204 174.900 0.124 0.000 1.145 56 G CA 0.871 46.022 45.100 0.086 0.000 0.761 56 G HN 0.278 nan 8.290 nan 0.000 0.571 57 F N 1.491 121.448 119.950 0.012 0.000 2.051 57 F HA -0.105 4.420 4.527 -0.002 0.000 0.296 57 F C 2.777 178.586 175.800 0.015 0.000 1.122 57 F CA 1.522 59.531 58.000 0.014 0.000 1.201 57 F CB -0.758 38.251 39.000 0.015 0.000 0.978 57 F HN 0.011 nan 8.300 nan 0.000 0.472 58 V N 1.079 120.933 119.914 -0.101 0.000 2.277 58 V HA -0.410 3.708 4.120 -0.002 0.000 0.253 58 V C 2.790 178.768 176.094 -0.193 0.000 1.067 58 V CA 2.204 64.379 62.300 -0.208 0.000 1.047 58 V CB -1.893 29.910 31.823 -0.034 0.000 0.649 58 V HN 0.554 nan 8.190 nan 0.000 0.447 59 A N -0.083 122.680 122.820 -0.094 0.000 1.865 59 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 59 A C 2.478 180.007 177.584 -0.092 0.000 1.191 59 A CA 2.457 54.453 52.037 -0.069 0.000 0.623 59 A CB -1.039 17.946 19.000 -0.025 0.000 0.826 59 A HN 0.661 nan 8.150 nan 0.000 0.444 60 A N -0.636 122.127 122.820 -0.095 0.000 1.917 60 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 60 A C 2.243 179.745 177.584 -0.137 0.000 1.182 60 A CA 2.091 54.078 52.037 -0.082 0.000 0.633 60 A CB -1.055 17.927 19.000 -0.031 0.000 0.819 60 A HN 0.473 nan 8.150 nan 0.000 0.448 61 V N -0.757 118.996 119.914 -0.268 0.000 2.343 61 V HA -0.206 3.913 4.120 -0.002 0.000 0.247 61 V C 2.480 178.489 176.094 -0.141 0.000 1.051 61 V CA 2.026 64.171 62.300 -0.258 0.000 1.036 61 V CB -0.540 31.038 31.823 -0.409 0.000 0.654 61 V HN 0.391 nan 8.190 nan 0.000 0.451 62 V N 1.555 121.397 119.914 -0.121 0.000 2.649 62 V HA -0.145 3.974 4.120 -0.002 0.000 0.248 62 V C 2.094 178.156 176.094 -0.053 0.000 1.054 62 V CA 1.808 64.064 62.300 -0.073 0.000 1.073 62 V CB -0.934 30.852 31.823 -0.062 0.000 0.699 62 V HN 0.878 nan 8.190 nan 0.000 0.463 63 N N 0.286 118.955 118.700 -0.052 0.000 2.457 63 N HA 0.062 4.801 4.740 -0.002 0.000 0.180 63 N C 1.508 177.002 175.510 -0.027 0.000 1.050 63 N CA 1.059 54.089 53.050 -0.034 0.000 0.906 63 N CB 0.390 38.861 38.487 -0.028 0.000 0.968 63 N HN 0.458 nan 8.380 nan 0.000 0.445 64 G N 0.618 109.398 108.800 -0.033 0.000 2.259 64 G HA2 -0.392 3.567 3.960 -0.002 0.000 0.217 64 G HA3 -0.392 3.567 3.960 -0.002 0.000 0.217 64 G C 1.102 175.994 174.900 -0.014 0.000 1.001 64 G CA 0.554 45.641 45.100 -0.022 0.000 0.627 64 G HN 0.560 nan 8.290 nan 0.000 0.501 65 S N 1.263 116.956 115.700 -0.012 0.000 2.359 65 S HA 0.257 4.726 4.470 -0.002 0.000 0.223 65 S C 1.758 176.363 174.600 0.009 0.000 1.039 65 S CA 1.928 60.129 58.200 0.001 0.000 1.042 65 S CB -0.672 62.532 63.200 0.006 0.000 0.915 65 S HN 2.137 nan 8.310 nan 0.000 0.439 66 A N 2.637 125.458 122.820 0.002 0.000 2.545 66 A HA 0.299 4.618 4.320 -0.002 0.000 0.253 66 A C 0.328 177.926 177.584 0.023 0.000 1.074 66 A CA -0.219 51.832 52.037 0.023 0.000 0.760 66 A CB -0.165 18.828 19.000 -0.012 0.000 1.005 66 A HN 0.694 nan 8.150 nan 0.000 0.506 67 Q N 1.794 121.619 119.800 0.041 0.000 2.259 67 Q HA 0.391 4.730 4.340 -0.002 0.000 0.246 67 Q C 1.614 177.641 176.000 0.044 0.000 0.920 67 Q CA 0.030 55.855 55.803 0.035 0.000 0.895 67 Q CB 1.162 29.920 28.738 0.034 0.000 1.220 67 Q HN 0.881 nan 8.270 nan 0.000 0.439 68 G N 1.641 110.462 108.800 0.035 0.000 2.649 68 G HA2 -0.400 3.558 3.960 -0.002 0.000 0.220 68 G HA3 -0.400 3.558 3.960 -0.002 0.000 0.220 68 G C 1.282 176.211 174.900 0.049 0.000 1.189 68 G CA 1.222 46.346 45.100 0.040 0.000 0.777 68 G HN 0.748 nan 8.290 nan 0.000 0.602 69 A N -0.090 122.756 122.820 0.043 0.000 2.076 69 A HA -0.094 4.224 4.320 -0.002 0.000 0.220 69 A C 2.361 179.978 177.584 0.054 0.000 1.160 69 A CA 2.072 54.134 52.037 0.042 0.000 0.653 69 A CB -0.319 18.701 19.000 0.033 0.000 0.801 69 A HN 0.593 nan 8.150 nan 0.000 0.455 70 Q N -0.646 119.196 119.800 0.070 0.000 2.096 70 Q HA 0.021 4.359 4.340 -0.002 0.000 0.197 70 Q C 1.991 178.079 176.000 0.148 0.000 0.964 70 Q CA 1.234 57.096 55.803 0.099 0.000 0.838 70 Q CB -0.252 28.555 28.738 0.116 0.000 0.906 70 Q HN 0.739 nan 8.270 nan 0.000 0.444 71 I N 0.744 121.407 120.570 0.156 0.000 2.286 71 I HA -0.172 3.997 4.170 -0.002 0.000 0.248 71 I C 2.273 178.479 176.117 0.148 0.000 1.115 71 I CA 1.190 62.610 61.300 0.200 0.000 1.392 71 I CB -0.540 37.531 38.000 0.119 0.000 1.065 71 I HN 0.254 nan 8.210 nan 0.000 0.418 72 G N 0.489 109.345 108.800 0.093 0.000 2.394 72 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.215 72 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.215 72 G C 1.908 176.840 174.900 0.053 0.000 1.165 72 G CA 0.698 45.837 45.100 0.066 0.000 0.784 72 G HN 0.456 nan 8.290 nan 0.000 0.535 73 A N 0.595 123.444 122.820 0.048 0.000 1.883 73 A HA -0.087 4.232 4.320 -0.002 0.000 0.217 73 A C 2.330 179.920 177.584 0.009 0.000 1.186 73 A CA 2.450 54.502 52.037 0.025 0.000 0.624 73 A CB -0.424 18.590 19.000 0.023 0.000 0.822 73 A HN 0.398 nan 8.150 nan 0.000 0.444 74 M N -0.170 119.439 119.600 0.013 0.000 2.086 74 M HA -0.025 4.454 4.480 -0.002 0.000 0.261 74 M C 1.898 178.194 176.300 -0.006 0.000 1.067 74 M CA 1.564 56.833 55.300 -0.053 0.000 1.116 74 M CB -0.725 31.791 32.600 -0.140 0.000 1.348 74 M HN 0.354 nan 8.290 nan 0.000 0.407 75 L N -0.764 120.494 121.223 0.058 0.000 2.042 75 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 75 L C 2.559 179.445 176.870 0.026 0.000 1.076 75 L CA 1.502 56.376 54.840 0.056 0.000 0.749 75 L CB -0.798 41.303 42.059 0.070 0.000 0.893 75 L HN 0.435 nan 8.230 nan 0.000 0.432 76 M N 0.072 119.684 119.600 0.019 0.000 2.086 76 M HA -0.140 4.339 4.480 -0.002 0.000 0.261 76 M C 2.303 178.603 176.300 0.001 0.000 1.067 76 M CA 2.098 57.404 55.300 0.009 0.000 1.116 76 M CB -0.606 31.999 32.600 0.008 0.000 1.348 76 M HN 0.170 nan 8.290 nan 0.000 0.407 77 A N 0.255 123.070 122.820 -0.009 0.000 1.908 77 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 77 A C 2.251 179.826 177.584 -0.014 0.000 1.181 77 A CA 2.120 54.146 52.037 -0.019 0.000 0.627 77 A CB -1.186 17.790 19.000 -0.040 0.000 0.818 77 A HN 0.620 nan 8.150 nan 0.000 0.445 78 I N -1.260 119.303 120.570 -0.012 0.000 2.226 78 I HA -0.200 3.969 4.170 -0.002 0.000 0.245 78 I C 2.616 178.743 176.117 0.017 0.000 1.100 78 I CA 1.126 62.427 61.300 0.002 0.000 1.374 78 I CB -0.372 37.635 38.000 0.013 0.000 1.057 78 I HN 0.251 nan 8.210 nan 0.000 0.413 79 R N 1.184 121.694 120.500 0.016 0.000 2.285 79 R HA -0.045 4.293 4.340 -0.002 0.000 0.213 79 R C 1.628 177.938 176.300 0.016 0.000 1.068 79 R CA 1.058 57.169 56.100 0.018 0.000 1.004 79 R CB -0.110 30.194 30.300 0.007 0.000 0.873 79 R HN 0.415 nan 8.270 nan 0.000 0.467 80 L N -0.598 120.631 121.223 0.011 0.000 2.858 80 L HA 0.213 4.552 4.340 -0.002 0.000 0.251 80 L C 1.126 178.002 176.870 0.010 0.000 1.149 80 L CA 0.019 54.865 54.840 0.010 0.000 0.955 80 L CB 0.359 42.420 42.059 0.003 0.000 1.289 80 L HN -0.121 nan 8.230 nan 0.000 0.542 81 R N -0.417 120.090 120.500 0.010 0.000 2.555 81 R HA 0.332 4.671 4.340 -0.002 0.000 0.312 81 R C 0.793 177.100 176.300 0.013 0.000 0.938 81 R CA 0.578 56.683 56.100 0.008 0.000 1.112 81 R CB 0.493 30.792 30.300 -0.002 0.000 1.535 81 R HN 0.178 nan 8.270 nan 0.000 0.525 82 G N 2.130 110.943 108.800 0.021 0.000 2.668 82 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.266 82 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.266 82 G C -0.096 174.816 174.900 0.019 0.000 1.328 82 G CA 0.527 45.645 45.100 0.029 0.000 0.911 82 G HN 0.132 nan 8.290 nan 0.000 0.567 83 M N -0.434 119.180 119.600 0.024 0.000 3.223 83 M HA 0.503 4.982 4.480 -0.002 0.000 0.282 83 M C -1.178 175.133 176.300 0.019 0.000 1.346 83 M CA -0.469 54.841 55.300 0.018 0.000 0.789 83 M CB 2.226 34.839 32.600 0.022 0.000 1.724 83 M HN 0.876 nan 8.290 nan 0.000 0.447 84 D N -0.330 120.080 120.400 0.016 0.000 2.493 84 D HA 0.416 5.055 4.640 -0.002 0.000 0.239 84 D C 0.476 176.786 176.300 0.017 0.000 1.049 84 D CA -0.797 53.212 54.000 0.014 0.000 1.008 84 D CB 0.900 41.706 40.800 0.010 0.000 1.398 84 D HN 0.569 nan 8.370 nan 0.000 0.513 85 L N -0.169 121.062 121.223 0.014 0.000 2.058 85 L HA -0.315 4.024 4.340 -0.002 0.000 0.226 85 L C 2.258 179.139 176.870 0.017 0.000 1.089 85 L CA 2.071 56.920 54.840 0.014 0.000 0.799 85 L CB -0.196 41.869 42.059 0.010 0.000 0.900 85 L HN 0.545 nan 8.230 nan 0.000 0.442 86 E N -0.799 119.410 120.200 0.015 0.000 2.006 86 E HA -0.236 4.112 4.350 -0.002 0.000 0.192 86 E C 2.041 178.654 176.600 0.021 0.000 0.993 86 E CA 1.533 57.943 56.400 0.017 0.000 0.808 86 E CB -0.115 29.593 29.700 0.013 0.000 0.764 86 E HN 0.556 nan 8.360 nan 0.000 0.449 87 E N -0.005 120.207 120.200 0.021 0.000 2.065 87 E HA -0.217 4.132 4.350 -0.002 0.000 0.201 87 E C 2.182 178.803 176.600 0.034 0.000 1.016 87 E CA 1.834 58.249 56.400 0.025 0.000 0.818 87 E CB -0.249 29.463 29.700 0.020 0.000 0.749 87 E HN 0.209 nan 8.360 nan 0.000 0.453 88 T N 0.513 115.087 114.554 0.033 0.000 2.635 88 T HA -0.230 4.119 4.350 -0.002 0.000 0.267 88 T C 2.079 176.803 174.700 0.040 0.000 1.040 88 T CA 1.676 63.800 62.100 0.040 0.000 1.156 88 T CB -0.423 68.466 68.868 0.036 0.000 0.863 88 T HN 0.140 nan 8.240 nan 0.000 0.430 89 S N 0.193 115.912 115.700 0.032 0.000 2.382 89 S HA -0.115 4.354 4.470 -0.002 0.000 0.228 89 S C 2.147 176.766 174.600 0.032 0.000 1.027 89 S CA 1.225 59.442 58.200 0.030 0.000 0.991 89 S CB -0.531 62.683 63.200 0.023 0.000 0.823 89 S HN 0.295 nan 8.310 nan 0.000 0.469 90 V N 1.990 121.924 119.914 0.033 0.000 2.307 90 V HA -0.113 4.006 4.120 -0.002 0.000 0.245 90 V C 2.391 178.513 176.094 0.046 0.000 1.045 90 V CA 1.906 64.228 62.300 0.036 0.000 1.024 90 V CB -0.729 31.115 31.823 0.036 0.000 0.651 90 V HN 0.521 nan 8.190 nan 0.000 0.449 91 L N -0.090 121.167 121.223 0.056 0.000 1.956 91 L HA -0.280 4.058 4.340 -0.002 0.000 0.216 91 L C 2.823 179.730 176.870 0.061 0.000 1.073 91 L CA 2.717 57.601 54.840 0.072 0.000 0.762 91 L CB -0.648 41.460 42.059 0.082 0.000 0.889 91 L HN 0.542 nan 8.230 nan 0.000 0.433 92 T N -1.367 113.219 114.554 0.054 0.000 2.597 92 T HA -0.398 3.951 4.350 -0.002 0.000 0.267 92 T C 1.810 176.532 174.700 0.036 0.000 1.053 92 T CA 2.388 64.516 62.100 0.046 0.000 1.165 92 T CB -0.367 68.526 68.868 0.042 0.000 0.863 92 T HN 0.499 nan 8.240 nan 0.000 0.427 93 Q N -0.120 119.700 119.800 0.033 0.000 2.173 93 Q HA -0.130 4.208 4.340 -0.002 0.000 0.208 93 Q C 2.412 178.426 176.000 0.024 0.000 0.989 93 Q CA 1.931 57.750 55.803 0.026 0.000 0.872 93 Q CB -0.509 28.243 28.738 0.024 0.000 0.909 93 Q HN 0.743 nan 8.270 nan 0.000 0.420 94 A N 0.135 122.973 122.820 0.031 0.000 1.855 94 A HA -0.111 4.208 4.320 -0.002 0.000 0.213 94 A C 1.975 179.571 177.584 0.020 0.000 1.195 94 A CA 0.754 52.808 52.037 0.027 0.000 0.610 94 A CB -0.707 18.317 19.000 0.040 0.000 0.837 94 A HN 0.416 nan 8.150 nan 0.000 0.444 95 L N -0.403 120.837 121.223 0.028 0.000 2.010 95 L HA -0.343 3.995 4.340 -0.002 0.000 0.219 95 L C 3.122 179.998 176.870 0.011 0.000 1.077 95 L CA 2.067 56.920 54.840 0.021 0.000 0.773 95 L CB -1.135 40.945 42.059 0.036 0.000 0.892 95 L HN 0.508 nan 8.230 nan 0.000 0.436 96 A N 0.105 122.934 122.820 0.014 0.000 1.903 96 A HA -0.268 4.051 4.320 -0.002 0.000 0.219 96 A C 1.890 179.474 177.584 0.001 0.000 1.191 96 A CA 2.132 54.174 52.037 0.008 0.000 0.638 96 A CB -0.650 18.357 19.000 0.012 0.000 0.823 96 A HN 0.723 nan 8.150 nan 0.000 0.451 97 Q N 0.476 120.276 119.800 0.001 0.000 2.415 97 Q HA 0.038 4.376 4.340 -0.002 0.000 0.206 97 Q C 1.602 177.595 176.000 -0.011 0.000 0.946 97 Q CA 0.801 56.601 55.803 -0.006 0.000 0.951 97 Q CB -0.348 28.388 28.738 -0.003 0.000 1.026 97 Q HN 0.798 nan 8.270 nan 0.000 0.510 98 S N -0.264 115.429 115.700 -0.012 0.000 2.447 98 S HA -0.006 4.463 4.470 -0.002 0.000 0.233 98 S C 1.127 175.714 174.600 -0.022 0.000 1.006 98 S CA 0.622 58.810 58.200 -0.020 0.000 0.957 98 S CB 0.044 63.229 63.200 -0.024 0.000 0.773 98 S HN 0.460 nan 8.310 nan 0.000 0.507 99 G N 0.081 108.869 108.800 -0.020 0.000 3.356 99 G HA2 0.607 4.566 3.960 -0.002 0.000 0.178 99 G HA3 0.607 4.566 3.960 -0.002 0.000 0.178 99 G C -0.998 173.885 174.900 -0.028 0.000 1.130 99 G CA -0.732 44.354 45.100 -0.025 0.000 0.800 99 G HN 0.402 nan 8.290 nan 0.000 0.669 100 Q N -0.669 119.110 119.800 -0.035 0.000 2.333 100 Q HA 0.631 4.970 4.340 -0.002 0.000 0.266 100 Q C -1.300 174.673 176.000 -0.046 0.000 1.053 100 Q CA -0.670 55.105 55.803 -0.047 0.000 0.890 100 Q CB 1.776 30.475 28.738 -0.065 0.000 1.337 100 Q HN 0.300 nan 8.270 nan 0.000 0.474 101 Q N 0.429 120.193 119.800 -0.061 0.000 2.377 101 Q HA 0.545 4.884 4.340 -0.002 0.000 0.271 101 Q C -1.240 174.685 176.000 -0.125 0.000 1.077 101 Q CA -0.359 55.410 55.803 -0.056 0.000 0.820 101 Q CB 1.843 30.559 28.738 -0.037 0.000 1.347 101 Q HN 0.411 nan 8.270 nan 0.000 0.444 102 L N 0.902 122.031 121.223 -0.155 0.000 2.343 102 L HA 0.584 4.922 4.340 -0.002 0.000 0.275 102 L C -0.018 176.563 176.870 -0.481 0.000 1.056 102 L CA -0.592 53.994 54.840 -0.423 0.000 0.804 102 L CB 1.355 43.045 42.059 -0.614 0.000 1.203 102 L HN 0.621 nan 8.230 nan 0.000 0.440 103 E N 1.591 121.390 120.200 -0.668 0.000 2.234 103 E HA 0.439 4.788 4.350 -0.002 0.000 0.266 103 E C -1.936 174.308 176.600 -0.593 0.000 0.877 103 E CA -0.645 55.496 56.400 -0.432 0.000 0.758 103 E CB 1.370 30.931 29.700 -0.232 0.000 1.170 103 E HN 0.391 nan 8.360 nan 0.000 0.415 104 W N 2.647 123.888 121.300 -0.099 0.000 2.850 104 W HA 0.491 5.150 4.660 -0.002 0.000 0.349 104 W C -2.276 174.024 176.519 -0.364 0.000 1.133 104 W CA -2.335 54.865 57.345 -0.240 0.000 1.117 104 W CB -0.488 28.904 29.460 -0.115 0.000 1.442 104 W HN 0.422 nan 8.180 nan 0.000 0.575 105 P HA -0.073 nan 4.420 nan 0.000 0.261 105 P C 0.898 178.048 177.300 -0.250 0.000 1.173 105 P CA 0.486 63.318 63.100 -0.447 0.000 0.760 105 P CB 0.677 31.887 31.700 -0.816 0.000 0.783 106 E N 2.632 122.768 120.200 -0.106 0.000 2.273 106 E HA -0.239 4.110 4.350 -0.002 0.000 0.198 106 E C 1.859 178.478 176.600 0.031 0.000 1.002 106 E CA 1.547 57.938 56.400 -0.014 0.000 0.828 106 E CB -0.401 29.294 29.700 -0.008 0.000 0.747 106 E HN 0.529 nan 8.360 nan 0.000 0.491 107 A N 1.221 124.050 122.820 0.016 0.000 1.851 107 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 107 A C 1.855 179.628 177.584 0.316 0.000 1.195 107 A CA 1.546 53.676 52.037 0.156 0.000 0.622 107 A CB -1.086 18.040 19.000 0.211 0.000 0.831 107 A HN 0.275 nan 8.150 nan 0.000 0.444 108 W N -0.538 120.780 121.300 0.030 0.000 2.342 108 W HA -0.088 4.571 4.660 -0.001 0.000 0.297 108 W C 2.080 178.580 176.519 -0.030 0.000 1.213 108 W CA 0.724 58.061 57.345 -0.013 0.000 1.251 108 W CB -1.230 28.197 29.460 -0.055 0.000 1.136 108 W HN 0.254 nan 8.180 nan 0.000 0.526 109 R N 0.486 121.120 120.500 0.223 0.000 2.344 109 R HA -0.287 4.052 4.340 -0.002 0.000 0.210 109 R C 1.989 178.324 176.300 0.058 0.000 1.089 109 R CA 2.334 58.506 56.100 0.120 0.000 0.748 109 R CB -1.560 28.792 30.300 0.086 0.000 0.934 109 R HN 0.099 nan 8.270 nan 0.000 0.364 110 Q N 0.363 120.179 119.800 0.026 0.000 2.522 110 Q HA -0.167 4.171 4.340 -0.002 0.000 0.216 110 Q C 1.262 177.206 176.000 -0.094 0.000 0.986 110 Q CA 1.409 57.176 55.803 -0.061 0.000 0.901 110 Q CB 0.014 28.695 28.738 -0.096 0.000 0.954 110 Q HN 0.567 nan 8.270 nan 0.000 0.502 111 Q N -0.854 118.960 119.800 0.024 0.000 2.247 111 Q HA 0.221 4.560 4.340 -0.002 0.000 0.211 111 Q C -0.120 175.880 176.000 0.000 0.000 0.861 111 Q CA -0.195 55.660 55.803 0.088 0.000 0.949 111 Q CB 0.725 29.527 28.738 0.108 0.000 1.115 111 Q HN 0.211 nan 8.270 nan 0.000 0.507 112 L N 2.316 123.515 121.223 -0.039 0.000 2.315 112 L HA 0.287 4.626 4.340 -0.002 0.000 0.283 112 L C -0.087 176.753 176.870 -0.049 0.000 1.089 112 L CA -0.560 54.220 54.840 -0.100 0.000 0.833 112 L CB 0.247 42.225 42.059 -0.136 0.000 1.170 112 L HN -0.079 nan 8.230 nan 0.000 0.442 113 V N -0.476 119.411 119.914 -0.044 0.000 3.181 113 V HA 0.805 4.924 4.120 -0.002 0.000 0.308 113 V C -1.238 174.858 176.094 0.003 0.000 1.214 113 V CA -0.660 61.637 62.300 -0.004 0.000 1.053 113 V CB 2.581 34.417 31.823 0.021 0.000 1.069 113 V HN 0.661 nan 8.190 nan 0.000 0.441 114 D N -0.032 120.388 120.400 0.033 0.000 2.683 114 D HA 0.564 5.203 4.640 -0.002 0.000 0.246 114 D C -1.663 174.686 176.300 0.082 0.000 1.238 114 D CA -0.298 53.736 54.000 0.056 0.000 0.759 114 D CB 2.693 43.532 40.800 0.064 0.000 1.349 114 D HN 1.115 nan 8.370 nan 0.000 0.426 115 K N 0.389 120.852 120.400 0.105 0.000 2.435 115 K HA 0.767 5.086 4.320 -0.002 0.000 0.251 115 K C -1.817 174.892 176.600 0.182 0.000 0.954 115 K CA -0.592 55.769 56.287 0.123 0.000 0.820 115 K CB 1.908 34.462 32.500 0.090 0.000 1.292 115 K HN 0.358 nan 8.250 nan 0.000 0.436 116 H N -0.267 118.842 119.070 0.065 0.000 2.966 116 H HA 0.423 4.978 4.556 -0.002 0.000 0.347 116 H C -1.317 174.054 175.328 0.072 0.000 1.048 116 H CA -0.291 55.797 56.048 0.067 0.000 1.295 116 H CB 1.846 31.650 29.762 0.070 0.000 1.744 116 H HN 0.830 nan 8.280 nan 0.000 0.513 117 S N 2.249 117.791 115.700 -0.263 0.000 2.686 117 S HA 0.460 4.928 4.470 -0.002 0.000 0.270 117 S C 0.918 175.482 174.600 -0.060 0.000 1.194 117 S CA 0.391 58.526 58.200 -0.109 0.000 0.990 117 S CB 0.906 64.046 63.200 -0.101 0.000 1.029 117 S HN 0.856 nan 8.310 nan 0.000 0.560 118 T N -0.098 114.464 114.554 0.014 0.000 2.995 118 T HA 0.472 4.821 4.350 -0.002 0.000 0.170 118 T C 1.589 176.299 174.700 0.016 0.000 0.844 118 T CA 0.662 62.799 62.100 0.062 0.000 1.137 118 T CB -1.060 67.874 68.868 0.109 0.000 2.193 118 T HN 0.892 nan 8.240 nan 0.000 0.384 119 G N 1.328 110.140 108.800 0.019 0.000 1.858 119 G HA2 0.262 4.221 3.960 -0.002 0.000 0.773 119 G HA3 0.262 4.221 3.960 -0.002 0.000 0.773 119 G C 0.793 175.647 174.900 -0.076 0.000 1.229 119 G CA 0.630 45.711 45.100 -0.031 0.000 1.133 119 G HN 2.039 nan 8.290 nan 0.000 0.525 120 G N -3.462 105.287 108.800 -0.084 0.000 3.199 120 G HA2 0.321 4.279 3.960 -0.002 0.000 0.680 120 G HA3 0.321 4.279 3.960 -0.002 0.000 0.680 120 G C -0.962 173.878 174.900 -0.098 0.000 1.197 120 G CA -0.223 44.827 45.100 -0.085 0.000 1.143 120 G HN 1.364 nan 8.290 nan 0.000 0.492 121 V N 2.435 122.310 119.914 -0.066 0.000 2.304 121 V HA 0.740 4.859 4.120 -0.002 0.000 0.278 121 V C 1.355 177.422 176.094 -0.045 0.000 1.018 121 V CA 0.814 63.085 62.300 -0.048 0.000 0.814 121 V CB 0.791 32.612 31.823 -0.003 0.000 1.021 121 V HN 2.569 nan 8.190 nan 0.000 0.440 122 G N 3.886 112.648 108.800 -0.062 0.000 2.132 122 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.228 122 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.228 122 G C 0.005 174.871 174.900 -0.056 0.000 1.000 122 G CA 0.061 45.125 45.100 -0.060 0.000 0.693 122 G HN 0.701 nan 8.290 nan 0.000 0.515 123 D N 0.996 121.360 120.400 -0.060 0.000 2.608 123 D HA 0.256 4.894 4.640 -0.002 0.000 0.224 123 D C 1.853 178.122 176.300 -0.051 0.000 1.123 123 D CA -0.164 53.805 54.000 -0.053 0.000 1.030 123 D CB 0.241 41.008 40.800 -0.055 0.000 1.093 123 D HN 0.441 nan 8.370 nan 0.000 0.497 124 K N 1.484 121.854 120.400 -0.051 0.000 2.458 124 K HA 0.004 4.322 4.320 -0.002 0.000 0.194 124 K C 1.238 177.813 176.600 -0.043 0.000 1.024 124 K CA 0.000 56.257 56.287 -0.050 0.000 1.108 124 K CB -0.525 31.939 32.500 -0.060 0.000 0.846 124 K HN 0.134 nan 8.250 nan 0.000 0.518 125 V N 1.844 121.737 119.914 -0.035 0.000 2.277 125 V HA -0.344 3.775 4.120 -0.002 0.000 0.253 125 V C 2.187 178.271 176.094 -0.016 0.000 1.067 125 V CA 2.419 64.704 62.300 -0.025 0.000 1.047 125 V CB -0.824 30.991 31.823 -0.012 0.000 0.649 125 V HN 0.436 nan 8.190 nan 0.000 0.447 126 S N -0.119 115.574 115.700 -0.011 0.000 2.374 126 S HA -0.189 4.279 4.470 -0.002 0.000 0.227 126 S C 1.652 176.268 174.600 0.027 0.000 1.037 126 S CA 1.506 59.712 58.200 0.009 0.000 1.024 126 S CB -0.442 62.759 63.200 0.003 0.000 0.861 126 S HN 0.407 nan 8.310 nan 0.000 0.456 127 L N 0.777 122.007 121.223 0.010 0.000 2.633 127 L HA 0.029 4.368 4.340 -0.002 0.000 0.235 127 L C 1.347 178.211 176.870 -0.010 0.000 1.163 127 L CA 0.782 55.642 54.840 0.035 0.000 0.859 127 L CB -0.313 41.739 42.059 -0.011 0.000 0.973 127 L HN 0.184 nan 8.230 nan 0.000 0.451 128 V N -2.811 117.088 119.914 -0.025 0.000 3.103 128 V HA 0.052 4.171 4.120 -0.002 0.000 0.229 128 V C 1.752 177.841 176.094 -0.007 0.000 1.304 128 V CA -0.120 62.147 62.300 -0.056 0.000 1.298 128 V CB -0.162 31.606 31.823 -0.092 0.000 1.093 128 V HN 0.110 nan 8.190 nan 0.000 0.489 129 L N 1.423 122.645 121.223 -0.000 0.000 2.187 129 L HA -0.151 4.188 4.340 -0.002 0.000 0.213 129 L C 2.334 179.219 176.870 0.025 0.000 1.100 129 L CA 2.446 57.291 54.840 0.009 0.000 0.765 129 L CB -0.742 41.325 42.059 0.014 0.000 0.904 129 L HN 0.403 nan 8.230 nan 0.000 0.437 130 A N 1.076 123.924 122.820 0.046 0.000 1.832 130 A HA -0.096 4.223 4.320 -0.002 0.000 0.214 130 A C -0.146 177.470 177.584 0.054 0.000 1.200 130 A CA 1.366 53.437 52.037 0.057 0.000 0.610 130 A CB -1.879 17.175 19.000 0.089 0.000 0.842 130 A HN 0.387 nan 8.150 nan 0.000 0.444 131 P HA -0.033 nan 4.420 nan 0.000 0.222 131 P C 1.566 178.889 177.300 0.038 0.000 1.147 131 P CA 1.560 64.718 63.100 0.097 0.000 0.790 131 P CB -0.074 31.753 31.700 0.213 0.000 0.780 132 A N 0.136 122.969 122.820 0.021 0.000 1.841 132 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 132 A C 2.169 179.744 177.584 -0.015 0.000 1.199 132 A CA 1.623 53.657 52.037 -0.004 0.000 0.621 132 A CB -1.688 17.306 19.000 -0.009 0.000 0.835 132 A HN 0.092 nan 8.150 nan 0.000 0.445 133 L N -0.704 120.511 121.223 -0.012 0.000 2.081 133 L HA -0.247 4.092 4.340 -0.002 0.000 0.212 133 L C 3.004 179.844 176.870 -0.051 0.000 1.080 133 L CA 1.213 56.037 54.840 -0.026 0.000 0.754 133 L CB -0.712 41.339 42.059 -0.013 0.000 0.893 133 L HN 0.470 nan 8.230 nan 0.000 0.433 134 A N -0.119 122.672 122.820 -0.047 0.000 2.070 134 A HA -0.054 4.265 4.320 -0.002 0.000 0.220 134 A C 2.421 179.962 177.584 -0.073 0.000 1.159 134 A CA 1.584 53.575 52.037 -0.075 0.000 0.656 134 A CB -0.451 18.513 19.000 -0.059 0.000 0.800 134 A HN 0.429 nan 8.150 nan 0.000 0.453 135 A N -1.935 120.855 122.820 -0.049 0.000 2.081 135 A HA 0.070 4.389 4.320 -0.002 0.000 0.214 135 A C 1.700 179.246 177.584 -0.064 0.000 1.158 135 A CA 1.040 53.048 52.037 -0.047 0.000 0.724 135 A CB -0.664 18.320 19.000 -0.027 0.000 0.826 135 A HN 0.519 nan 8.150 nan 0.000 0.463 136 C N -0.314 118.942 119.300 -0.073 0.000 2.578 136 C HA 0.447 4.906 4.460 -0.002 0.000 0.285 136 C C 1.915 176.815 174.990 -0.150 0.000 1.297 136 C CA 0.277 59.237 59.018 -0.097 0.000 1.690 136 C CB -1.429 26.261 27.740 -0.082 0.000 1.773 136 C HN 0.974 nan 8.230 nan 0.000 0.594 137 G N -0.279 108.439 108.800 -0.137 0.000 2.159 137 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.256 137 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.256 137 G C 0.112 174.916 174.900 -0.160 0.000 0.977 137 G CA 0.184 45.188 45.100 -0.160 0.000 0.652 137 G HN 0.529 nan 8.290 nan 0.000 0.531 138 C N -0.068 119.151 119.300 -0.135 0.000 2.335 138 C HA 0.807 5.266 4.460 -0.002 0.000 0.363 138 C C 0.415 175.308 174.990 -0.163 0.000 1.198 138 C CA -0.595 58.367 59.018 -0.094 0.000 2.279 138 C CB 1.553 29.272 27.740 -0.034 0.000 2.334 138 C HN 0.423 nan 8.230 nan 0.000 0.559 139 K N 1.140 121.425 120.400 -0.193 0.000 2.358 139 K HA 0.614 4.933 4.320 -0.002 0.000 0.260 139 K C -1.270 175.188 176.600 -0.236 0.000 0.956 139 K CA -0.162 55.943 56.287 -0.303 0.000 0.834 139 K CB 1.380 33.594 32.500 -0.476 0.000 1.102 139 K HN 0.407 nan 8.250 nan 0.000 0.431 140 V N 5.316 125.115 119.914 -0.192 0.000 2.304 140 V HA 0.375 4.494 4.120 -0.002 0.000 0.278 140 V C -2.227 173.807 176.094 -0.101 0.000 1.018 140 V CA -1.611 60.618 62.300 -0.117 0.000 0.814 140 V CB 1.320 33.117 31.823 -0.043 0.000 1.021 140 V HN 0.654 nan 8.190 nan 0.000 0.440 141 P HA 0.293 nan 4.420 nan 0.000 0.234 141 P C -0.474 176.883 177.300 0.094 0.000 1.799 141 P CA -0.290 62.814 63.100 0.007 0.000 1.118 141 P CB 0.770 32.453 31.700 -0.028 0.000 1.827 142 M N 4.977 124.632 119.600 0.092 0.000 2.077 142 M HA 0.317 4.796 4.480 -0.002 0.000 0.348 142 M C -0.432 175.938 176.300 0.116 0.000 1.252 142 M CA -0.681 54.684 55.300 0.107 0.000 1.096 142 M CB 0.294 32.958 32.600 0.106 0.000 1.568 142 M HN 0.125 nan 8.290 nan 0.000 0.456 143 I N 3.871 124.504 120.570 0.104 0.000 2.301 143 I HA 0.226 4.394 4.170 -0.002 0.000 0.292 143 I C 0.230 176.400 176.117 0.090 0.000 1.046 143 I CA -0.182 61.163 61.300 0.075 0.000 1.282 143 I CB 0.983 39.006 38.000 0.039 0.000 1.409 143 I HN 0.660 nan 8.210 nan 0.000 0.484 144 S N 3.801 119.556 115.700 0.091 0.000 2.788 144 S HA 0.928 5.397 4.470 -0.002 0.000 0.291 144 S C -0.074 174.535 174.600 0.014 0.000 1.061 144 S CA -0.236 58.044 58.200 0.135 0.000 0.923 144 S CB 1.909 65.177 63.200 0.112 0.000 1.339 144 S HN 0.795 nan 8.310 nan 0.000 0.591 145 G N -0.204 108.594 108.800 -0.005 0.000 2.721 145 G HA2 0.623 4.582 3.960 -0.002 0.000 0.296 145 G HA3 0.623 4.582 3.960 -0.002 0.000 0.296 145 G C -1.670 173.238 174.900 0.013 0.000 1.383 145 G CA -0.719 44.270 45.100 -0.184 0.000 0.788 145 G HN 0.640 nan 8.290 nan 0.000 0.500 146 R N -1.067 119.497 120.500 0.107 0.000 2.705 146 R HA 0.598 4.937 4.340 -0.002 0.000 0.246 146 R C 0.776 177.268 176.300 0.320 0.000 1.142 146 R CA -0.242 55.989 56.100 0.219 0.000 1.114 146 R CB 0.800 31.216 30.300 0.194 0.000 1.256 146 R HN 0.700 nan 8.270 nan 0.000 0.536 147 G N 0.720 109.651 108.800 0.218 0.000 2.287 147 G HA2 0.148 4.107 3.960 -0.002 0.000 0.235 147 G HA3 0.148 4.107 3.960 -0.002 0.000 0.235 147 G C -0.952 174.025 174.900 0.128 0.000 1.258 147 G CA -0.022 45.175 45.100 0.161 0.000 0.884 147 G HN 0.112 nan 8.290 nan 0.000 0.518 148 L N 2.766 124.007 121.223 0.030 0.000 2.356 148 L HA 0.642 4.981 4.340 -0.002 0.000 0.277 148 L C 1.131 177.958 176.870 -0.072 0.000 0.996 148 L CA 1.166 55.947 54.840 -0.098 0.000 0.822 148 L CB 1.022 42.972 42.059 -0.182 0.000 1.256 148 L HN 1.179 nan 8.230 nan 0.000 0.413 149 G N 3.593 112.375 108.800 -0.030 0.000 2.672 149 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.332 149 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.332 149 G C 0.609 175.535 174.900 0.044 0.000 1.213 149 G CA 0.802 45.913 45.100 0.018 0.000 0.980 149 G HN 1.156 nan 8.290 nan 0.000 0.548 150 H N 1.119 120.143 119.070 -0.077 0.000 2.469 150 H HA 0.463 5.018 4.556 -0.002 0.000 0.286 150 H C 0.505 175.842 175.328 0.015 0.000 1.106 150 H CA 0.961 56.966 56.048 -0.072 0.000 1.055 150 H CB -0.757 28.912 29.762 -0.156 0.000 1.618 150 H HN 0.880 nan 8.280 nan 0.000 0.559 151 T N -1.201 113.151 114.554 -0.337 0.000 2.977 151 T HA 0.509 4.858 4.350 -0.002 0.000 0.346 151 T C 0.751 175.404 174.700 -0.079 0.000 1.140 151 T CA -0.368 61.571 62.100 -0.268 0.000 1.040 151 T CB 1.007 69.674 68.868 -0.335 0.000 1.046 151 T HN 0.400 nan 8.240 nan 0.000 0.494 152 G N 1.800 110.574 108.800 -0.044 0.000 2.670 152 G HA2 0.438 4.397 3.960 -0.002 0.000 0.233 152 G HA3 0.438 4.397 3.960 -0.002 0.000 0.233 152 G C 0.403 175.311 174.900 0.014 0.000 1.251 152 G CA -0.267 44.828 45.100 -0.009 0.000 0.849 152 G HN 1.086 nan 8.290 nan 0.000 0.588 153 G N -1.018 107.834 108.800 0.087 0.000 2.420 153 G HA2 0.472 4.431 3.960 -0.002 0.000 0.331 153 G HA3 0.472 4.431 3.960 -0.002 0.000 0.331 153 G C 1.047 175.986 174.900 0.065 0.000 1.168 153 G CA 0.508 45.661 45.100 0.089 0.000 0.936 153 G HN 1.021 nan 8.290 nan 0.000 0.479 154 T N 0.307 114.879 114.554 0.031 0.000 2.977 154 T HA -0.082 4.266 4.350 -0.002 0.000 0.271 154 T C 2.003 176.716 174.700 0.022 0.000 1.105 154 T CA 0.774 62.882 62.100 0.014 0.000 1.116 154 T CB -0.187 68.680 68.868 -0.001 0.000 0.878 154 T HN 0.251 nan 8.240 nan 0.000 0.509 155 L N 0.617 121.870 121.223 0.049 0.000 2.095 155 L HA 0.015 4.354 4.340 -0.002 0.000 0.204 155 L C 2.622 179.523 176.870 0.051 0.000 1.080 155 L CA 1.425 56.297 54.840 0.053 0.000 0.759 155 L CB -0.459 41.639 42.059 0.065 0.000 0.914 155 L HN 0.270 nan 8.230 nan 0.000 0.439 156 D N 0.542 120.997 120.400 0.092 0.000 2.117 156 D HA -0.168 4.471 4.640 -0.002 0.000 0.198 156 D C 2.043 178.413 176.300 0.117 0.000 0.982 156 D CA 1.130 55.182 54.000 0.087 0.000 0.828 156 D CB -0.037 40.862 40.800 0.165 0.000 0.967 156 D HN 0.326 nan 8.370 nan 0.000 0.464 157 K N 0.689 121.216 120.400 0.211 0.000 2.063 157 K HA -0.091 4.227 4.320 -0.002 0.000 0.208 157 K C 2.398 178.995 176.600 -0.005 0.000 1.048 157 K CA 0.696 57.085 56.287 0.169 0.000 0.928 157 K CB -0.207 32.330 32.500 0.062 0.000 0.713 157 K HN 0.134 nan 8.250 nan 0.000 0.442 158 L N 1.458 122.602 121.223 -0.131 0.000 2.131 158 L HA -0.160 4.179 4.340 -0.002 0.000 0.210 158 L C 1.887 178.593 176.870 -0.273 0.000 1.092 158 L CA 1.074 55.676 54.840 -0.397 0.000 0.759 158 L CB -0.411 41.123 42.059 -0.875 0.000 0.903 158 L HN 0.245 nan 8.230 nan 0.000 0.435 159 E N -0.342 119.807 120.200 -0.085 0.000 2.510 159 E HA -0.108 4.241 4.350 -0.002 0.000 0.202 159 E C 1.936 178.534 176.600 -0.003 0.000 1.072 159 E CA 0.461 56.872 56.400 0.018 0.000 0.883 159 E CB -0.039 29.676 29.700 0.025 0.000 0.818 159 E HN 0.419 nan 8.360 nan 0.000 0.548 160 S N 0.788 116.475 115.700 -0.022 0.000 2.395 160 S HA 0.025 4.493 4.470 -0.002 0.000 0.225 160 S C 1.079 175.686 174.600 0.011 0.000 1.027 160 S CA 0.178 58.374 58.200 -0.006 0.000 0.965 160 S CB 0.079 63.286 63.200 0.012 0.000 0.812 160 S HN 0.182 nan 8.310 nan 0.000 0.482 161 I N 4.462 125.040 120.570 0.012 0.000 2.517 161 I HA 0.110 4.279 4.170 -0.002 0.000 0.285 161 I C -2.204 173.965 176.117 0.086 0.000 1.106 161 I CA -2.012 59.319 61.300 0.051 0.000 1.402 161 I CB 0.439 38.471 38.000 0.054 0.000 1.399 161 I HN 0.018 nan 8.210 nan 0.000 0.535 162 P HA 0.020 nan 4.420 nan 0.000 0.266 162 P C 0.712 178.056 177.300 0.072 0.000 1.215 162 P CA 0.474 63.608 63.100 0.057 0.000 0.763 162 P CB 0.826 32.547 31.700 0.035 0.000 0.806 163 G N 2.775 111.618 108.800 0.071 0.000 2.157 163 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.248 163 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.248 163 G C -0.262 174.676 174.900 0.063 0.000 0.979 163 G CA -0.443 44.687 45.100 0.050 0.000 0.650 163 G HN 0.533 nan 8.290 nan 0.000 0.529 164 F N 2.221 122.159 119.950 -0.019 0.000 2.445 164 F HA 0.558 5.084 4.527 -0.002 0.000 0.359 164 F C 0.342 176.131 175.800 -0.018 0.000 1.101 164 F CA -1.071 56.914 58.000 -0.025 0.000 1.177 164 F CB 0.628 39.615 39.000 -0.021 0.000 1.110 164 F HN 0.028 nan 8.300 nan 0.000 0.522 165 N N 5.259 123.660 118.700 -0.499 0.000 2.426 165 N HA 0.154 4.893 4.740 -0.002 0.000 0.257 165 N C 0.594 175.875 175.510 -0.381 0.000 1.002 165 N CA -0.048 52.822 53.050 -0.301 0.000 0.942 165 N CB 1.750 40.087 38.487 -0.250 0.000 1.112 165 N HN 0.641 nan 8.380 nan 0.000 0.499 166 V N 2.022 121.914 119.914 -0.036 0.000 3.647 166 V HA 0.402 4.520 4.120 -0.002 0.000 0.279 166 V C 0.621 176.727 176.094 0.020 0.000 1.314 166 V CA 0.379 62.734 62.300 0.091 0.000 1.125 166 V CB -0.291 31.663 31.823 0.217 0.000 0.907 166 V HN 0.437 nan 8.190 nan 0.000 0.434 167 I N 2.508 123.061 120.570 -0.028 0.000 2.382 167 I HA 0.569 4.738 4.170 -0.002 0.000 0.285 167 I C -0.797 175.295 176.117 -0.041 0.000 1.007 167 I CA -0.220 61.068 61.300 -0.021 0.000 1.142 167 I CB 1.593 39.586 38.000 -0.013 0.000 1.289 167 I HN 0.275 nan 8.210 nan 0.000 0.453 168 Q N 4.042 123.826 119.800 -0.026 0.000 2.413 168 Q HA 0.471 4.809 4.340 -0.002 0.000 0.276 168 Q C -0.427 175.566 176.000 -0.012 0.000 1.099 168 Q CA -0.751 55.037 55.803 -0.025 0.000 0.814 168 Q CB 2.425 31.152 28.738 -0.018 0.000 1.379 168 Q HN 0.712 nan 8.270 nan 0.000 0.436 169 S N -0.192 115.497 115.700 -0.017 0.000 2.632 169 S HA 0.377 4.846 4.470 -0.002 0.000 0.271 169 S C -1.874 172.710 174.600 -0.025 0.000 1.260 169 S CA -1.001 57.184 58.200 -0.025 0.000 1.010 169 S CB 1.117 64.299 63.200 -0.031 0.000 0.965 169 S HN 0.240 nan 8.310 nan 0.000 0.534 170 P HA -0.187 nan 4.420 nan 0.000 0.217 170 P C 1.133 178.387 177.300 -0.077 0.000 1.158 170 P CA 1.677 64.716 63.100 -0.103 0.000 0.887 170 P CB -0.045 31.556 31.700 -0.165 0.000 0.792 171 E N -0.359 119.804 120.200 -0.062 0.000 2.026 171 E HA -0.270 4.078 4.350 -0.002 0.000 0.206 171 E C 2.185 178.797 176.600 0.020 0.000 1.028 171 E CA 1.674 58.055 56.400 -0.032 0.000 0.845 171 E CB -0.920 28.761 29.700 -0.031 0.000 0.772 171 E HN 0.371 nan 8.360 nan 0.000 0.462 172 Q N -0.035 119.775 119.800 0.016 0.000 2.062 172 Q HA -0.260 4.078 4.340 -0.002 0.000 0.209 172 Q C 2.365 178.415 176.000 0.083 0.000 0.996 172 Q CA 1.914 57.736 55.803 0.032 0.000 0.859 172 Q CB -0.335 28.405 28.738 0.002 0.000 0.920 172 Q HN 0.352 nan 8.270 nan 0.000 0.415 173 M N 0.492 120.155 119.600 0.106 0.000 2.089 173 M HA -0.311 4.167 4.480 -0.002 0.000 0.257 173 M C 2.418 178.938 176.300 0.366 0.000 1.071 173 M CA 2.249 57.679 55.300 0.217 0.000 1.096 173 M CB -0.369 32.391 32.600 0.267 0.000 1.330 173 M HN 0.271 nan 8.290 nan 0.000 0.403 174 Q N -0.100 119.924 119.800 0.374 0.000 2.226 174 Q HA -0.101 4.237 4.340 -0.002 0.000 0.204 174 Q C 1.505 177.767 176.000 0.437 0.000 0.975 174 Q CA 1.822 57.949 55.803 0.541 0.000 0.866 174 Q CB -0.737 28.167 28.738 0.277 0.000 0.915 174 Q HN 0.353 nan 8.270 nan 0.000 0.440 175 V N 0.448 120.507 119.914 0.243 0.000 2.453 175 V HA -0.176 3.942 4.120 -0.002 0.000 0.247 175 V C 2.201 178.381 176.094 0.143 0.000 1.048 175 V CA 1.439 63.844 62.300 0.175 0.000 1.049 175 V CB -0.413 31.466 31.823 0.093 0.000 0.672 175 V HN 0.372 nan 8.190 nan 0.000 0.457 176 L N -0.708 120.591 121.223 0.125 0.000 2.046 176 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 176 L C 2.213 179.093 176.870 0.016 0.000 1.077 176 L CA 1.512 56.388 54.840 0.059 0.000 0.747 176 L CB -0.456 41.635 42.059 0.053 0.000 0.896 176 L HN 0.261 nan 8.230 nan 0.000 0.432 177 L N -0.787 120.461 121.223 0.041 0.000 2.465 177 L HA -0.144 4.195 4.340 -0.002 0.000 0.224 177 L C 1.754 178.379 176.870 -0.409 0.000 1.145 177 L CA 0.701 55.411 54.840 -0.217 0.000 0.834 177 L CB -0.509 41.370 42.059 -0.300 0.000 0.944 177 L HN 0.321 nan 8.230 nan 0.000 0.451 178 D N -0.177 120.166 120.400 -0.095 0.000 2.214 178 D HA -0.176 4.463 4.640 -0.002 0.000 0.217 178 D C 2.145 178.417 176.300 -0.048 0.000 0.973 178 D CA 0.925 54.907 54.000 -0.030 0.000 0.880 178 D CB 0.320 41.280 40.800 0.267 0.000 1.031 178 D HN 0.126 nan 8.370 nan 0.000 0.468 179 Q N -0.000 119.797 119.800 -0.005 0.000 1.990 179 Q HA 0.013 4.351 4.340 -0.002 0.000 0.200 179 Q C 1.827 177.800 176.000 -0.046 0.000 0.980 179 Q CA 2.197 57.991 55.803 -0.015 0.000 0.832 179 Q CB -0.334 28.404 28.738 0.001 0.000 0.897 179 Q HN 0.217 nan 8.270 nan 0.000 0.427 180 A N -1.198 121.588 122.820 -0.055 0.000 1.911 180 A HA 0.369 4.688 4.320 -0.002 0.000 0.212 180 A C 1.861 179.387 177.584 -0.097 0.000 1.189 180 A CA 1.208 53.207 52.037 -0.062 0.000 0.639 180 A CB -0.479 18.490 19.000 -0.051 0.000 0.839 180 A HN 0.814 nan 8.150 nan 0.000 0.449 181 G N -2.171 106.535 108.800 -0.155 0.000 2.234 181 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.235 181 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.235 181 G C 0.529 175.311 174.900 -0.197 0.000 0.997 181 G CA 0.559 45.519 45.100 -0.233 0.000 0.623 181 G HN 1.857 nan 8.290 nan 0.000 0.514 182 C N -1.204 118.029 119.300 -0.111 0.000 3.340 182 C HA 0.969 5.428 4.460 -0.002 0.000 0.333 182 C C 0.177 175.158 174.990 -0.015 0.000 1.464 182 C CA -0.584 58.396 59.018 -0.063 0.000 1.337 182 C CB 1.445 29.172 27.740 -0.021 0.000 1.740 182 C HN 2.155 nan 8.230 nan 0.000 0.450 183 C N -0.095 119.221 119.300 0.027 0.000 3.249 183 C HA 0.723 5.181 4.460 -0.002 0.000 0.358 183 C C -1.479 173.576 174.990 0.109 0.000 1.187 183 C CA -0.674 58.383 59.018 0.066 0.000 1.170 183 C CB -0.384 27.393 27.740 0.061 0.000 1.478 183 C HN 1.102 nan 8.230 nan 0.000 0.508 184 I N 2.743 123.416 120.570 0.171 0.000 2.468 184 I HA 0.718 4.887 4.170 -0.002 0.000 0.285 184 I C -0.201 176.042 176.117 0.210 0.000 1.039 184 I CA -0.547 60.866 61.300 0.189 0.000 1.074 184 I CB 1.782 39.901 38.000 0.199 0.000 1.228 184 I HN 0.852 nan 8.210 nan 0.000 0.436 185 V N 1.980 121.980 119.914 0.142 0.000 3.114 185 V HA 0.965 5.084 4.120 -0.002 0.000 0.308 185 V C -0.035 176.104 176.094 0.075 0.000 1.168 185 V CA -0.611 61.755 62.300 0.109 0.000 1.015 185 V CB 1.505 33.371 31.823 0.071 0.000 1.050 185 V HN 0.729 nan 8.190 nan 0.000 0.433 186 G N 0.597 109.427 108.800 0.050 0.000 2.509 186 G HA2 0.599 4.558 3.960 -0.002 0.000 0.328 186 G HA3 0.599 4.558 3.960 -0.002 0.000 0.328 186 G C -0.657 174.236 174.900 -0.012 0.000 1.194 186 G CA -0.831 44.272 45.100 0.004 0.000 0.967 186 G HN 0.899 nan 8.290 nan 0.000 0.488 187 Q N -0.648 119.125 119.800 -0.046 0.000 2.498 187 Q HA 0.355 4.694 4.340 -0.002 0.000 0.299 187 Q C 0.778 176.767 176.000 -0.018 0.000 1.178 187 Q CA 1.042 56.824 55.803 -0.035 0.000 0.997 187 Q CB 0.453 29.160 28.738 -0.052 0.000 1.306 187 Q HN 0.807 nan 8.270 nan 0.000 0.468 188 S N -1.361 114.331 115.700 -0.014 0.000 2.815 188 S HA 0.255 4.724 4.470 -0.002 0.000 0.296 188 S C 0.297 174.888 174.600 -0.015 0.000 1.224 188 S CA -0.465 57.728 58.200 -0.012 0.000 0.938 188 S CB 0.581 63.775 63.200 -0.011 0.000 1.285 188 S HN 0.606 nan 8.310 nan 0.000 0.549 189 E N 0.193 120.383 120.200 -0.016 0.000 2.358 189 E HA 0.081 4.430 4.350 -0.002 0.000 0.195 189 E C 1.471 178.057 176.600 -0.022 0.000 1.010 189 E CA 1.278 57.667 56.400 -0.019 0.000 0.856 189 E CB -0.133 29.556 29.700 -0.018 0.000 0.795 189 E HN 0.589 nan 8.360 nan 0.000 0.504 190 Q N -1.010 118.775 119.800 -0.024 0.000 2.280 190 Q HA 0.264 4.603 4.340 -0.002 0.000 0.244 190 Q C -0.797 175.185 176.000 -0.029 0.000 0.847 190 Q CA -0.067 55.718 55.803 -0.030 0.000 0.945 190 Q CB 1.078 29.794 28.738 -0.036 0.000 1.115 190 Q HN 0.073 nan 8.270 nan 0.000 0.513 191 L N 0.484 121.694 121.223 -0.022 0.000 2.325 191 L HA 0.290 4.629 4.340 -0.002 0.000 0.281 191 L C -0.012 176.850 176.870 -0.014 0.000 1.004 191 L CA -1.002 53.828 54.840 -0.016 0.000 0.823 191 L CB 1.934 43.990 42.059 -0.006 0.000 1.236 191 L HN -0.063 nan 8.230 nan 0.000 0.415 192 V N 2.821 122.728 119.914 -0.013 0.000 5.176 192 V HA -0.252 3.867 4.120 -0.002 0.000 0.252 192 V C -1.541 174.546 176.094 -0.012 0.000 0.665 192 V CA 0.427 62.721 62.300 -0.011 0.000 0.654 192 V CB -1.890 29.927 31.823 -0.010 0.000 0.440 192 V HN 0.691 nan 8.190 nan 0.000 0.806 193 P HA -0.241 nan 4.420 nan 0.000 0.214 193 P C 1.926 179.217 177.300 -0.016 0.000 1.169 193 P CA 2.837 65.926 63.100 -0.017 0.000 0.908 193 P CB 0.013 31.700 31.700 -0.023 0.000 0.791 194 A N -0.325 122.481 122.820 -0.024 0.000 1.917 194 A HA -0.291 4.028 4.320 -0.002 0.000 0.219 194 A C 2.238 179.823 177.584 0.003 0.000 1.182 194 A CA 2.421 54.438 52.037 -0.033 0.000 0.633 194 A CB -1.769 17.201 19.000 -0.051 0.000 0.819 194 A HN 0.206 nan 8.150 nan 0.000 0.448 195 D N -0.558 119.855 120.400 0.022 0.000 2.149 195 D HA -0.062 4.577 4.640 -0.002 0.000 0.198 195 D C 1.952 178.304 176.300 0.086 0.000 0.990 195 D CA 1.750 55.788 54.000 0.063 0.000 0.839 195 D CB -0.591 40.237 40.800 0.047 0.000 0.948 195 D HN 0.296 nan 8.370 nan 0.000 0.460 196 G N 0.659 109.481 108.800 0.036 0.000 2.418 196 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.217 196 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.217 196 G C 1.622 176.568 174.900 0.078 0.000 1.158 196 G CA 0.933 46.055 45.100 0.038 0.000 0.771 196 G HN 0.300 nan 8.290 nan 0.000 0.545 197 I N 1.027 121.625 120.570 0.047 0.000 2.142 197 I HA -0.111 4.058 4.170 -0.002 0.000 0.240 197 I C 2.882 179.043 176.117 0.073 0.000 1.078 197 I CA 0.960 62.284 61.300 0.041 0.000 1.343 197 I CB -1.363 36.633 38.000 -0.007 0.000 1.046 197 I HN 0.170 nan 8.210 nan 0.000 0.405 198 L N -0.560 120.714 121.223 0.085 0.000 2.027 198 L HA -0.253 4.085 4.340 -0.002 0.000 0.206 198 L C 2.794 179.747 176.870 0.138 0.000 1.074 198 L CA 1.535 56.438 54.840 0.106 0.000 0.745 198 L CB -1.159 40.967 42.059 0.110 0.000 0.898 198 L HN 0.129 nan 8.230 nan 0.000 0.433 199 Y N 1.129 121.457 120.300 0.047 0.000 2.241 199 Y HA -0.339 4.210 4.550 -0.002 0.000 0.286 199 Y C 2.487 178.418 175.900 0.052 0.000 1.166 199 Y CA 1.355 59.487 58.100 0.054 0.000 1.203 199 Y CB -0.218 38.276 38.460 0.057 0.000 0.977 199 Y HN 0.141 nan 8.280 nan 0.000 0.529 200 A N -0.128 122.847 122.820 0.259 0.000 1.872 200 A HA -0.030 4.289 4.320 -0.002 0.000 0.214 200 A C 2.436 180.070 177.584 0.084 0.000 1.187 200 A CA 1.659 53.801 52.037 0.175 0.000 0.614 200 A CB -1.437 17.643 19.000 0.134 0.000 0.826 200 A HN 0.538 nan 8.150 nan 0.000 0.442 201 A N -0.120 122.742 122.820 0.071 0.000 1.858 201 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 201 A C 2.202 179.797 177.584 0.018 0.000 1.190 201 A CA 1.435 53.501 52.037 0.047 0.000 0.617 201 A CB -0.581 18.454 19.000 0.057 0.000 0.827 201 A HN 0.452 nan 8.150 nan 0.000 0.443 202 R N -0.125 120.372 120.500 -0.005 0.000 2.159 202 R HA -0.265 4.074 4.340 -0.002 0.000 0.252 202 R C 1.920 178.180 176.300 -0.067 0.000 1.144 202 R CA 2.097 58.167 56.100 -0.049 0.000 0.961 202 R CB -0.911 29.319 30.300 -0.117 0.000 0.877 202 R HN 0.774 nan 8.270 nan 0.000 0.444 203 D N 0.483 120.829 120.400 -0.091 0.000 2.144 203 D HA -0.118 4.521 4.640 -0.002 0.000 0.199 203 D C 1.498 177.805 176.300 0.012 0.000 0.984 203 D CA 1.377 55.345 54.000 -0.054 0.000 0.834 203 D CB 0.159 40.930 40.800 -0.048 0.000 0.955 203 D HN 0.196 nan 8.370 nan 0.000 0.465 204 V N -2.858 117.072 119.914 0.027 0.000 3.271 204 V HA 0.419 4.538 4.120 -0.002 0.000 0.327 204 V C 0.893 177.005 176.094 0.030 0.000 1.389 204 V CA 0.303 62.630 62.300 0.044 0.000 1.156 204 V CB 0.152 32.007 31.823 0.054 0.000 1.103 204 V HN 0.052 nan 8.190 nan 0.000 0.453 205 T N 0.515 115.078 114.554 0.016 0.000 3.043 205 T HA 0.573 4.922 4.350 -0.002 0.000 0.272 205 T C 1.062 175.763 174.700 0.003 0.000 0.990 205 T CA 0.577 62.686 62.100 0.014 0.000 0.897 205 T CB 0.469 69.348 68.868 0.019 0.000 1.111 205 T HN 1.370 nan 8.240 nan 0.000 0.529 206 A N 1.285 124.101 122.820 -0.006 0.000 2.846 206 A HA -0.151 4.167 4.320 -0.002 0.000 0.287 206 A C 0.791 178.361 177.584 -0.023 0.000 1.469 206 A CA 1.158 53.183 52.037 -0.020 0.000 0.757 206 A CB -2.530 16.459 19.000 -0.020 0.000 1.033 206 A HN 0.419 nan 8.150 nan 0.000 0.516 207 T N -0.910 113.631 114.554 -0.022 0.000 3.415 207 T HA 0.385 4.734 4.350 -0.002 0.000 0.282 207 T C 1.155 175.838 174.700 -0.029 0.000 1.007 207 T CA 0.418 62.508 62.100 -0.017 0.000 0.958 207 T CB 0.493 69.363 68.868 0.003 0.000 1.171 207 T HN 0.459 nan 8.240 nan 0.000 0.500 208 V N 1.014 120.899 119.914 -0.050 0.000 2.581 208 V HA 0.022 4.140 4.120 -0.002 0.000 0.240 208 V C 1.159 177.222 176.094 -0.051 0.000 1.054 208 V CA 0.583 62.845 62.300 -0.063 0.000 1.076 208 V CB -0.253 31.519 31.823 -0.085 0.000 0.748 208 V HN 0.621 nan 8.190 nan 0.000 0.474 209 D N 1.135 121.474 120.400 -0.102 0.000 2.540 209 D HA 0.108 4.747 4.640 -0.002 0.000 0.237 209 D C -0.040 176.221 176.300 -0.064 0.000 1.181 209 D CA 0.590 54.472 54.000 -0.198 0.000 1.119 209 D CB 0.399 40.942 40.800 -0.427 0.000 1.119 209 D HN 0.195 nan 8.370 nan 0.000 0.498 210 S N 2.527 118.281 115.700 0.089 0.000 2.673 210 S HA 0.093 4.562 4.470 -0.002 0.000 0.256 210 S C 0.819 175.541 174.600 0.204 0.000 1.141 210 S CA -0.862 57.432 58.200 0.157 0.000 1.109 210 S CB 0.627 63.878 63.200 0.084 0.000 1.101 210 S HN 0.356 nan 8.310 nan 0.000 0.471 211 L N 6.961 128.350 121.223 0.277 0.000 2.085 211 L HA -0.044 4.294 4.340 -0.002 0.000 0.218 211 L C -1.006 175.931 176.870 0.112 0.000 1.080 211 L CA 2.694 57.637 54.840 0.172 0.000 0.776 211 L CB -1.808 40.292 42.059 0.069 0.000 0.891 211 L HN 0.499 nan 8.230 nan 0.000 0.437 212 P HA -0.153 nan 4.420 nan 0.000 0.215 212 P C 2.298 179.648 177.300 0.085 0.000 1.157 212 P CA 1.270 64.416 63.100 0.077 0.000 0.856 212 P CB -0.056 31.682 31.700 0.064 0.000 0.786 213 L N -1.125 120.152 121.223 0.090 0.000 2.201 213 L HA -0.084 4.255 4.340 -0.002 0.000 0.212 213 L C 2.757 179.687 176.870 0.100 0.000 1.105 213 L CA 1.021 55.915 54.840 0.090 0.000 0.775 213 L CB -0.625 41.479 42.059 0.074 0.000 0.913 213 L HN -0.108 nan 8.230 nan 0.000 0.440 214 I N -0.643 119.994 120.570 0.112 0.000 2.206 214 I HA -0.216 3.953 4.170 -0.002 0.000 0.239 214 I C 2.510 178.700 176.117 0.122 0.000 1.078 214 I CA 1.318 62.696 61.300 0.129 0.000 1.367 214 I CB -0.469 37.625 38.000 0.158 0.000 1.078 214 I HN 0.157 nan 8.210 nan 0.000 0.413 215 T N 1.047 115.663 114.554 0.103 0.000 2.699 215 T HA -0.220 4.129 4.350 -0.002 0.000 0.268 215 T C 1.967 176.710 174.700 0.072 0.000 1.036 215 T CA 1.654 63.803 62.100 0.082 0.000 1.147 215 T CB -0.344 68.563 68.868 0.064 0.000 0.862 215 T HN 0.478 nan 8.240 nan 0.000 0.446 216 A N 0.919 123.785 122.820 0.077 0.000 1.872 216 A HA -0.029 4.290 4.320 -0.002 0.000 0.214 216 A C 2.569 180.197 177.584 0.075 0.000 1.187 216 A CA 1.941 54.020 52.037 0.070 0.000 0.614 216 A CB -1.189 17.857 19.000 0.077 0.000 0.826 216 A HN 0.448 nan 8.150 nan 0.000 0.442 217 S N -0.135 115.629 115.700 0.106 0.000 2.365 217 S HA -0.192 4.277 4.470 -0.002 0.000 0.225 217 S C 1.905 176.557 174.600 0.085 0.000 1.039 217 S CA 1.837 60.123 58.200 0.143 0.000 1.033 217 S CB -0.596 62.738 63.200 0.224 0.000 0.887 217 S HN 0.463 nan 8.310 nan 0.000 0.447 218 I N 0.960 121.570 120.570 0.067 0.000 2.130 218 I HA -0.122 4.047 4.170 -0.002 0.000 0.234 218 I C 2.396 178.463 176.117 -0.083 0.000 1.067 218 I CA 1.106 62.377 61.300 -0.049 0.000 1.339 218 I CB -0.656 37.378 38.000 0.057 0.000 1.073 218 I HN 0.271 nan 8.210 nan 0.000 0.405 219 L N 1.049 122.265 121.223 -0.010 0.000 2.051 219 L HA -0.276 4.063 4.340 -0.002 0.000 0.214 219 L C 2.903 179.768 176.870 -0.008 0.000 1.076 219 L CA 1.951 56.789 54.840 -0.003 0.000 0.758 219 L CB -0.896 41.176 42.059 0.022 0.000 0.890 219 L HN 0.447 nan 8.230 nan 0.000 0.433 220 S N -0.309 115.391 115.700 -0.001 0.000 2.359 220 S HA -0.246 4.222 4.470 -0.002 0.000 0.224 220 S C 1.930 176.524 174.600 -0.011 0.000 1.035 220 S CA 1.202 59.404 58.200 0.003 0.000 1.018 220 S CB -0.341 62.869 63.200 0.017 0.000 0.876 220 S HN 0.389 nan 8.310 nan 0.000 0.448 221 K N 1.214 121.588 120.400 -0.042 0.000 1.985 221 K HA -0.013 4.306 4.320 -0.002 0.000 0.210 221 K C 2.391 178.974 176.600 -0.029 0.000 1.047 221 K CA 1.326 57.583 56.287 -0.050 0.000 0.932 221 K CB -0.167 32.265 32.500 -0.114 0.000 0.716 221 K HN 0.251 nan 8.250 nan 0.000 0.439 222 K N 1.148 121.512 120.400 -0.061 0.000 2.152 222 K HA -0.141 4.178 4.320 -0.002 0.000 0.206 222 K C 2.192 178.809 176.600 0.028 0.000 1.048 222 K CA 1.115 57.394 56.287 -0.014 0.000 0.933 222 K CB -0.478 32.004 32.500 -0.029 0.000 0.721 222 K HN 0.192 nan 8.250 nan 0.000 0.447 223 L N 0.550 121.785 121.223 0.020 0.000 1.961 223 L HA -0.176 4.162 4.340 -0.002 0.000 0.210 223 L C 2.357 179.258 176.870 0.052 0.000 1.072 223 L CA 0.951 55.811 54.840 0.034 0.000 0.749 223 L CB -0.696 41.376 42.059 0.022 0.000 0.889 223 L HN -0.134 nan 8.230 nan 0.000 0.432 224 V N 0.002 119.941 119.914 0.041 0.000 2.764 224 V HA -0.314 3.804 4.120 -0.002 0.000 0.261 224 V C 2.187 178.340 176.094 0.098 0.000 1.108 224 V CA 1.795 64.122 62.300 0.046 0.000 1.129 224 V CB -0.705 31.134 31.823 0.027 0.000 0.701 224 V HN 0.490 nan 8.190 nan 0.000 0.495 225 E N -0.236 120.051 120.200 0.144 0.000 2.140 225 E HA 0.262 4.610 4.350 -0.002 0.000 0.191 225 E C 1.308 178.106 176.600 0.331 0.000 0.973 225 E CA 0.477 57.042 56.400 0.276 0.000 0.829 225 E CB 0.077 29.906 29.700 0.215 0.000 0.781 225 E HN 0.602 nan 8.360 nan 0.000 0.466 226 G N 1.961 110.876 108.800 0.193 0.000 2.694 226 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.247 226 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.247 226 G C -0.472 174.523 174.900 0.158 0.000 0.989 226 G CA -0.111 45.092 45.100 0.173 0.000 1.252 226 G HN 0.038 nan 8.290 nan 0.000 0.483 227 L N 1.139 122.415 121.223 0.088 0.000 2.322 227 L HA 0.727 5.066 4.340 -0.002 0.000 0.269 227 L C 1.635 178.519 176.870 0.024 0.000 1.012 227 L CA -0.314 54.553 54.840 0.046 0.000 0.815 227 L CB 1.670 43.749 42.059 0.034 0.000 1.295 227 L HN 0.396 nan 8.230 nan 0.000 0.438 228 S N 0.474 116.174 115.700 -0.000 0.000 2.387 228 S HA 0.226 4.694 4.470 -0.002 0.000 0.226 228 S C 0.454 175.035 174.600 -0.032 0.000 1.026 228 S CA 0.794 58.980 58.200 -0.023 0.000 0.972 228 S CB 0.126 63.295 63.200 -0.053 0.000 0.814 228 S HN 0.749 nan 8.310 nan 0.000 0.477 229 A N 0.640 123.448 122.820 -0.020 0.000 2.572 229 A HA 0.691 5.010 4.320 -0.002 0.000 0.295 229 A C -1.615 175.976 177.584 0.012 0.000 1.072 229 A CA -0.631 51.396 52.037 -0.017 0.000 0.691 229 A CB 1.497 20.477 19.000 -0.034 0.000 1.291 229 A HN 0.429 nan 8.150 nan 0.000 0.404 230 L N 2.195 123.432 121.223 0.024 0.000 2.505 230 L HA 0.671 5.009 4.340 -0.002 0.000 0.266 230 L C -1.788 175.122 176.870 0.067 0.000 0.954 230 L CA -0.374 54.495 54.840 0.048 0.000 0.852 230 L CB 1.485 43.572 42.059 0.047 0.000 1.282 230 L HN 0.540 nan 8.230 nan 0.000 0.403 231 V N 5.275 125.242 119.914 0.088 0.000 2.483 231 V HA 0.561 4.680 4.120 -0.002 0.000 0.295 231 V C -0.036 176.133 176.094 0.124 0.000 1.035 231 V CA -0.574 61.792 62.300 0.110 0.000 0.896 231 V CB 2.139 34.035 31.823 0.121 0.000 0.986 231 V HN 0.550 nan 8.190 nan 0.000 0.447 232 V N 3.186 123.177 119.914 0.128 0.000 2.459 232 V HA 0.401 4.520 4.120 -0.002 0.000 0.295 232 V C -0.422 175.748 176.094 0.127 0.000 1.029 232 V CA -0.615 61.768 62.300 0.138 0.000 0.874 232 V CB 1.977 33.879 31.823 0.132 0.000 0.985 232 V HN 0.853 nan 8.190 nan 0.000 0.438 233 D N 3.552 124.019 120.400 0.113 0.000 2.313 233 D HA 0.352 4.990 4.640 -0.002 0.000 0.239 233 D C -0.657 175.693 176.300 0.084 0.000 1.142 233 D CA -0.000 54.055 54.000 0.092 0.000 0.847 233 D CB 1.623 42.458 40.800 0.058 0.000 1.082 233 D HN 0.273 nan 8.370 nan 0.000 0.480 234 V N 5.713 125.682 119.914 0.091 0.000 2.293 234 V HA 0.216 4.335 4.120 -0.002 0.000 0.275 234 V C 0.503 176.659 176.094 0.103 0.000 1.021 234 V CA -1.020 61.342 62.300 0.103 0.000 0.815 234 V CB 0.836 32.725 31.823 0.111 0.000 1.025 234 V HN 0.305 nan 8.190 nan 0.000 0.448 235 K N 4.547 124.982 120.400 0.058 0.000 2.168 235 K HA 0.626 4.945 4.320 -0.002 0.000 0.258 235 K C -0.476 176.166 176.600 0.071 0.000 1.010 235 K CA -0.116 56.150 56.287 -0.034 0.000 0.929 235 K CB 1.140 33.605 32.500 -0.059 0.000 0.998 235 K HN 0.596 nan 8.250 nan 0.000 0.479 236 F N -3.017 116.959 119.950 0.044 0.000 2.662 236 F HA 0.609 5.135 4.527 -0.002 0.000 0.312 236 F C 0.073 175.901 175.800 0.047 0.000 1.113 236 F CA -0.433 57.598 58.000 0.052 0.000 0.951 236 F CB 0.898 39.914 39.000 0.027 0.000 1.344 236 F HN 0.815 nan 8.300 nan 0.000 0.462 237 G N 0.668 109.689 108.800 0.368 0.000 2.855 237 G HA2 0.344 4.303 3.960 -0.002 0.000 0.352 237 G HA3 0.344 4.303 3.960 -0.002 0.000 0.352 237 G C 0.670 175.630 174.900 0.099 0.000 1.415 237 G CA 0.397 45.642 45.100 0.242 0.000 0.871 237 G HN 2.714 nan 8.290 nan 0.000 0.543 238 G N -0.027 108.819 108.800 0.076 0.000 2.714 238 G HA2 0.031 3.990 3.960 -0.002 0.000 0.368 238 G HA3 0.031 3.990 3.960 -0.002 0.000 0.368 238 G C 1.690 176.619 174.900 0.050 0.000 1.034 238 G CA 3.152 48.280 45.100 0.047 0.000 0.867 238 G HN 2.607 nan 8.290 nan 0.000 0.751 239 A N 0.663 123.519 122.820 0.060 0.000 2.462 239 A HA 0.759 5.077 4.320 -0.002 0.000 0.261 239 A C 1.067 178.762 177.584 0.185 0.000 1.323 239 A CA 1.388 53.506 52.037 0.135 0.000 0.913 239 A CB -0.515 18.570 19.000 0.142 0.000 1.028 239 A HN 1.929 nan 8.150 nan 0.000 0.511 240 A N -0.738 122.146 122.820 0.106 0.000 2.340 240 A HA 0.509 4.828 4.320 -0.002 0.000 0.268 240 A C 1.463 179.120 177.584 0.122 0.000 1.100 240 A CA -0.181 51.911 52.037 0.092 0.000 0.803 240 A CB 0.355 19.404 19.000 0.082 0.000 1.043 240 A HN 0.412 nan 8.150 nan 0.000 0.488 241 V N 0.988 120.958 119.914 0.094 0.000 2.250 241 V HA -0.236 3.883 4.120 -0.002 0.000 0.250 241 V C 0.802 176.853 176.094 -0.071 0.000 1.060 241 V CA 1.862 64.183 62.300 0.035 0.000 1.030 241 V CB -0.721 31.115 31.823 0.021 0.000 0.643 241 V HN 0.688 nan 8.190 nan 0.000 0.445 242 F N 0.026 120.021 119.950 0.075 0.000 2.310 242 F HA 0.334 4.860 4.527 -0.002 0.000 0.365 242 F C -1.184 174.668 175.800 0.087 0.000 1.080 242 F CA -1.971 56.071 58.000 0.069 0.000 1.187 242 F CB 1.233 40.271 39.000 0.064 0.000 1.465 242 F HN 0.080 nan 8.300 nan 0.000 0.496 243 P HA -0.277 nan 4.420 nan 0.000 0.212 243 P C -0.139 177.289 177.300 0.213 0.000 1.174 243 P CA 1.279 64.491 63.100 0.185 0.000 0.934 243 P CB 0.007 31.774 31.700 0.113 0.000 0.791 244 N N 0.225 119.037 118.700 0.186 0.000 2.236 244 N HA -0.147 4.592 4.740 -0.002 0.000 0.274 244 N C 1.669 177.234 175.510 0.092 0.000 1.339 244 N CA -0.394 52.729 53.050 0.122 0.000 0.845 244 N CB 0.446 38.996 38.487 0.104 0.000 1.091 244 N HN 0.087 nan 8.380 nan 0.000 0.489 245 Q N 4.055 123.864 119.800 0.016 0.000 2.029 245 Q HA -0.292 4.047 4.340 -0.002 0.000 0.209 245 Q C 0.916 176.833 176.000 -0.139 0.000 0.999 245 Q CA 1.970 57.682 55.803 -0.152 0.000 0.857 245 Q CB -0.625 27.880 28.738 -0.388 0.000 0.926 245 Q HN 0.748 nan 8.270 nan 0.000 0.415 246 E N 0.872 121.002 120.200 -0.117 0.000 2.051 246 E HA -0.188 4.161 4.350 -0.002 0.000 0.192 246 E C 2.141 178.684 176.600 -0.094 0.000 0.991 246 E CA 1.031 57.368 56.400 -0.104 0.000 0.799 246 E CB -0.138 29.511 29.700 -0.085 0.000 0.748 246 E HN 0.548 nan 8.360 nan 0.000 0.449 247 Q N -0.135 119.617 119.800 -0.080 0.000 2.515 247 Q HA -0.135 4.204 4.340 -0.002 0.000 0.215 247 Q C 1.486 177.343 176.000 -0.237 0.000 0.983 247 Q CA 0.863 56.575 55.803 -0.151 0.000 0.905 247 Q CB 0.115 28.805 28.738 -0.081 0.000 0.961 247 Q HN 0.217 nan 8.270 nan 0.000 0.503 248 A N -0.002 122.764 122.820 -0.090 0.000 1.993 248 A HA 0.037 4.355 4.320 -0.002 0.000 0.207 248 A C 1.905 179.467 177.584 -0.037 0.000 1.224 248 A CA 0.303 52.328 52.037 -0.020 0.000 0.749 248 A CB -0.176 18.911 19.000 0.145 0.000 0.884 248 A HN 0.292 nan 8.150 nan 0.000 0.467 249 R N -0.042 120.422 120.500 -0.060 0.000 2.193 249 R HA -0.116 4.223 4.340 -0.002 0.000 0.229 249 R C 1.530 177.793 176.300 -0.061 0.000 1.110 249 R CA 1.353 57.417 56.100 -0.060 0.000 0.988 249 R CB -0.030 30.216 30.300 -0.091 0.000 0.871 249 R HN 0.420 nan 8.270 nan 0.000 0.458 250 E N 0.572 120.715 120.200 -0.095 0.000 2.072 250 E HA -0.174 4.175 4.350 -0.002 0.000 0.190 250 E C 1.873 178.421 176.600 -0.086 0.000 0.982 250 E CA 0.661 57.003 56.400 -0.096 0.000 0.803 250 E CB -0.276 29.343 29.700 -0.135 0.000 0.755 250 E HN 0.229 nan 8.360 nan 0.000 0.453 251 L N 0.949 122.102 121.223 -0.116 0.000 2.189 251 L HA -0.153 4.186 4.340 -0.002 0.000 0.214 251 L C 2.017 178.884 176.870 -0.005 0.000 1.097 251 L CA 1.776 56.575 54.840 -0.068 0.000 0.764 251 L CB -0.468 41.555 42.059 -0.059 0.000 0.900 251 L HN 0.032 nan 8.230 nan 0.000 0.436 252 A N -0.757 122.062 122.820 -0.001 0.000 1.855 252 A HA -0.148 4.171 4.320 -0.002 0.000 0.213 252 A C 2.279 179.873 177.584 0.017 0.000 1.195 252 A CA 1.434 53.485 52.037 0.023 0.000 0.610 252 A CB -0.416 18.598 19.000 0.023 0.000 0.837 252 A HN 0.423 nan 8.150 nan 0.000 0.444 253 K N -0.434 119.966 120.400 -0.000 0.000 2.280 253 K HA -0.074 4.245 4.320 -0.002 0.000 0.202 253 K C 1.890 178.493 176.600 0.004 0.000 1.047 253 K CA 1.569 57.858 56.287 0.002 0.000 0.942 253 K CB -0.238 32.256 32.500 -0.010 0.000 0.739 253 K HN 0.503 nan 8.250 nan 0.000 0.457 254 T N 1.581 116.134 114.554 -0.001 0.000 2.735 254 T HA -0.019 4.330 4.350 -0.002 0.000 0.256 254 T C 1.794 176.506 174.700 0.019 0.000 1.042 254 T CA 0.781 62.883 62.100 0.003 0.000 1.147 254 T CB -0.123 68.740 68.868 -0.008 0.000 0.865 254 T HN 0.092 nan 8.240 nan 0.000 0.421 255 L N 1.166 122.407 121.223 0.031 0.000 2.079 255 L HA -0.083 4.256 4.340 -0.002 0.000 0.210 255 L C 2.616 179.509 176.870 0.038 0.000 1.081 255 L CA 0.944 55.810 54.840 0.043 0.000 0.752 255 L CB -0.817 41.279 42.059 0.062 0.000 0.896 255 L HN 0.167 nan 8.230 nan 0.000 0.433 256 V N 0.009 119.944 119.914 0.036 0.000 2.453 256 V HA -0.119 4.000 4.120 -0.002 0.000 0.247 256 V C 2.534 178.642 176.094 0.023 0.000 1.048 256 V CA 1.615 63.935 62.300 0.032 0.000 1.049 256 V CB -1.130 30.713 31.823 0.034 0.000 0.672 256 V HN 0.525 nan 8.190 nan 0.000 0.457 257 G N 0.568 109.380 108.800 0.019 0.000 2.736 257 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.214 257 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.214 257 G C 1.643 176.552 174.900 0.016 0.000 1.327 257 G CA 1.387 46.495 45.100 0.014 0.000 0.818 257 G HN 0.283 nan 8.290 nan 0.000 0.611 258 V N 1.988 121.913 119.914 0.018 0.000 2.278 258 V HA -0.200 3.918 4.120 -0.002 0.000 0.251 258 V C 3.211 179.317 176.094 0.020 0.000 1.062 258 V CA 2.350 64.661 62.300 0.019 0.000 1.038 258 V CB -1.420 30.418 31.823 0.024 0.000 0.646 258 V HN 0.553 nan 8.190 nan 0.000 0.447 259 G N -0.548 108.266 108.800 0.023 0.000 2.503 259 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.221 259 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.221 259 G C 1.715 176.625 174.900 0.017 0.000 1.131 259 G CA 1.486 46.600 45.100 0.023 0.000 0.756 259 G HN 0.685 nan 8.290 nan 0.000 0.572 260 A N 1.439 124.267 122.820 0.015 0.000 1.834 260 A HA -0.084 4.235 4.320 -0.002 0.000 0.216 260 A C 2.820 180.409 177.584 0.009 0.000 1.203 260 A CA 3.208 55.250 52.037 0.009 0.000 0.621 260 A CB -1.226 17.779 19.000 0.008 0.000 0.841 260 A HN 0.961 nan 8.150 nan 0.000 0.446 261 S N 0.557 116.263 115.700 0.010 0.000 2.372 261 S HA -0.230 4.239 4.470 -0.002 0.000 0.227 261 S C 1.813 176.419 174.600 0.011 0.000 1.044 261 S CA 1.874 60.080 58.200 0.010 0.000 1.050 261 S CB -1.174 62.032 63.200 0.011 0.000 0.901 261 S HN 0.444 nan 8.310 nan 0.000 0.447 262 L N 1.314 122.545 121.223 0.014 0.000 2.351 262 L HA 0.044 4.382 4.340 -0.002 0.000 0.220 262 L C 1.983 178.861 176.870 0.014 0.000 1.127 262 L CA 0.793 55.642 54.840 0.015 0.000 0.786 262 L CB -1.296 40.774 42.059 0.018 0.000 0.914 262 L HN 0.766 nan 8.230 nan 0.000 0.443 263 G N 0.091 108.898 108.800 0.011 0.000 2.141 263 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.195 263 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.195 263 G C -0.230 174.676 174.900 0.010 0.000 1.012 263 G CA -0.475 44.631 45.100 0.009 0.000 0.696 263 G HN 0.175 nan 8.290 nan 0.000 0.508 264 L N 0.187 121.417 121.223 0.011 0.000 2.329 264 L HA 0.594 4.933 4.340 -0.002 0.000 0.279 264 L C 0.902 177.774 176.870 0.005 0.000 1.014 264 L CA -1.111 53.736 54.840 0.012 0.000 0.814 264 L CB 1.568 43.639 42.059 0.019 0.000 1.257 264 L HN 0.207 nan 8.230 nan 0.000 0.424 265 R N 2.883 123.381 120.500 -0.004 0.000 2.248 265 R HA 0.450 4.789 4.340 -0.002 0.000 0.328 265 R C -1.451 174.848 176.300 -0.002 0.000 1.067 265 R CA -0.254 55.835 56.100 -0.017 0.000 0.924 265 R CB 0.612 30.887 30.300 -0.041 0.000 1.013 265 R HN 0.369 nan 8.270 nan 0.000 0.454 266 V N 3.604 123.522 119.914 0.007 0.000 2.531 266 V HA 0.571 4.690 4.120 -0.002 0.000 0.301 266 V C -0.530 175.588 176.094 0.041 0.000 1.034 266 V CA -0.869 61.449 62.300 0.029 0.000 0.865 266 V CB 1.732 33.576 31.823 0.036 0.000 0.995 266 V HN 0.882 nan 8.190 nan 0.000 0.424 267 A N 3.833 126.691 122.820 0.064 0.000 2.318 267 A HA 0.945 5.264 4.320 -0.002 0.000 0.317 267 A C -0.112 177.541 177.584 0.115 0.000 1.159 267 A CA -0.328 51.767 52.037 0.097 0.000 0.799 267 A CB 1.349 20.426 19.000 0.128 0.000 1.194 267 A HN 1.337 nan 8.150 nan 0.000 0.479 268 A N 1.713 124.600 122.820 0.111 0.000 2.331 268 A HA 0.829 5.148 4.320 -0.002 0.000 0.320 268 A C -0.007 177.646 177.584 0.114 0.000 1.138 268 A CA 0.064 52.166 52.037 0.108 0.000 0.790 268 A CB 1.038 20.087 19.000 0.082 0.000 1.206 268 A HN 2.153 nan 8.150 nan 0.000 0.470 269 A N 2.570 125.466 122.820 0.126 0.000 2.355 269 A HA 0.705 5.024 4.320 -0.002 0.000 0.317 269 A C -0.684 176.921 177.584 0.035 0.000 1.094 269 A CA -0.488 51.602 52.037 0.088 0.000 0.764 269 A CB 0.707 19.866 19.000 0.265 0.000 1.230 269 A HN 0.815 nan 8.150 nan 0.000 0.448 270 L N 2.596 123.794 121.223 -0.042 0.000 2.265 270 L HA 0.524 4.863 4.340 -0.002 0.000 0.288 270 L C 0.457 177.379 176.870 0.086 0.000 1.058 270 L CA -0.274 54.634 54.840 0.114 0.000 0.809 270 L CB 1.331 43.479 42.059 0.148 0.000 1.179 270 L HN 0.868 nan 8.230 nan 0.000 0.429 271 T N 0.130 114.716 114.554 0.053 0.000 2.876 271 T HA 0.742 5.091 4.350 -0.002 0.000 0.289 271 T C -0.139 174.185 174.700 -0.627 0.000 1.014 271 T CA -0.825 61.213 62.100 -0.104 0.000 0.986 271 T CB 1.994 70.857 68.868 -0.009 0.000 1.021 271 T HN 0.603 nan 8.240 nan 0.000 0.458 272 A N 3.494 125.870 122.820 -0.740 0.000 2.407 272 A HA 0.653 4.972 4.320 -0.002 0.000 0.248 272 A C 0.584 177.846 177.584 -0.537 0.000 1.082 272 A CA -0.618 50.758 52.037 -1.103 0.000 0.785 272 A CB 0.049 18.786 19.000 -0.439 0.000 1.020 272 A HN 0.869 nan 8.150 nan 0.000 0.489 273 M N 1.210 120.538 119.600 -0.452 0.000 3.017 273 M HA 0.131 4.610 4.480 -0.002 0.000 0.423 273 M C -0.197 176.045 176.300 -0.098 0.000 1.395 273 M CA -0.131 55.048 55.300 -0.202 0.000 0.816 273 M CB 0.007 32.513 32.600 -0.156 0.000 1.440 273 M HN 0.809 nan 8.290 nan 0.000 0.506 274 D N 1.686 122.039 120.400 -0.079 0.000 2.234 274 D HA -0.003 4.636 4.640 -0.002 0.000 0.205 274 D C 0.616 176.920 176.300 0.007 0.000 0.962 274 D CA 0.917 54.913 54.000 -0.008 0.000 0.855 274 D CB 0.720 41.533 40.800 0.022 0.000 0.951 274 D HN 0.463 nan 8.370 nan 0.000 0.500 275 K N 0.475 120.873 120.400 -0.003 0.000 2.385 275 K HA 0.599 4.917 4.320 -0.002 0.000 0.248 275 K C -3.096 173.505 176.600 0.001 0.000 0.955 275 K CA -1.981 54.315 56.287 0.015 0.000 0.816 275 K CB 1.992 34.507 32.500 0.025 0.000 1.250 275 K HN -0.377 nan 8.250 nan 0.000 0.434 276 P HA -0.086 nan 4.420 nan 0.000 0.265 276 P C -0.635 176.658 177.300 -0.011 0.000 1.187 276 P CA -0.208 62.892 63.100 -0.001 0.000 0.766 276 P CB 0.430 32.136 31.700 0.009 0.000 0.820 277 L N 2.828 124.037 121.223 -0.023 0.000 2.367 277 L HA 0.368 4.707 4.340 -0.002 0.000 0.275 277 L C 1.115 177.972 176.870 -0.022 0.000 1.129 277 L CA 0.867 55.692 54.840 -0.024 0.000 0.839 277 L CB -0.361 41.680 42.059 -0.030 0.000 1.133 277 L HN 0.759 nan 8.230 nan 0.000 0.453 278 G N 4.707 113.496 108.800 -0.018 0.000 2.553 278 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.242 278 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.242 278 G C 0.356 175.248 174.900 -0.012 0.000 1.277 278 G CA 0.258 45.347 45.100 -0.020 0.000 0.910 278 G HN 0.739 nan 8.290 nan 0.000 0.576 279 R N -1.369 119.123 120.500 -0.014 0.000 2.531 279 R HA 0.357 4.695 4.340 -0.002 0.000 0.316 279 R C -0.183 176.111 176.300 -0.009 0.000 0.955 279 R CA 0.365 56.461 56.100 -0.007 0.000 1.120 279 R CB 0.519 30.815 30.300 -0.007 0.000 1.361 279 R HN 0.477 nan 8.270 nan 0.000 0.534 280 C N 1.356 120.647 119.300 -0.015 0.000 2.369 280 C HA 0.574 5.033 4.460 -0.002 0.000 0.322 280 C C -0.099 174.876 174.990 -0.025 0.000 1.258 280 C CA -0.807 58.204 59.018 -0.011 0.000 1.487 280 C CB 1.657 29.390 27.740 -0.011 0.000 2.165 280 C HN -0.029 nan 8.230 nan 0.000 0.483 281 V N 3.972 123.873 119.914 -0.022 0.000 2.409 281 V HA 0.941 5.060 4.120 -0.002 0.000 0.291 281 V C 0.648 176.711 176.094 -0.051 0.000 1.020 281 V CA 0.800 63.075 62.300 -0.042 0.000 0.848 281 V CB 0.923 32.732 31.823 -0.024 0.000 0.990 281 V HN 1.274 nan 8.190 nan 0.000 0.430 282 G N 3.175 111.899 108.800 -0.127 0.000 2.458 282 G HA2 0.111 4.070 3.960 -0.002 0.000 0.066 282 G HA3 0.111 4.070 3.960 -0.002 0.000 0.066 282 G C -0.023 174.616 174.900 -0.436 0.000 0.986 282 G CA 0.174 45.170 45.100 -0.173 0.000 1.131 282 G HN 0.526 nan 8.290 nan 0.000 0.453 283 H N -1.127 117.941 119.070 -0.005 0.000 2.460 283 H HA 0.410 4.965 4.556 -0.002 0.000 0.140 283 H C 2.617 177.929 175.328 -0.027 0.000 1.101 283 H CA 0.915 56.952 56.048 -0.017 0.000 1.101 283 H CB 0.027 29.780 29.762 -0.015 0.000 0.893 283 H HN 0.618 nan 8.280 nan 0.000 0.286 284 A N 1.604 124.498 122.820 0.123 0.000 1.898 284 A HA -0.089 4.230 4.320 -0.002 0.000 0.216 284 A C 2.256 179.841 177.584 0.001 0.000 1.181 284 A CA 1.595 53.654 52.037 0.036 0.000 0.620 284 A CB -0.766 18.238 19.000 0.008 0.000 0.819 284 A HN 0.177 nan 8.150 nan 0.000 0.442 285 L N 0.150 121.370 121.223 -0.004 0.000 2.043 285 L HA -0.215 4.124 4.340 -0.002 0.000 0.212 285 L C 2.288 179.145 176.870 -0.023 0.000 1.075 285 L CA 2.126 56.955 54.840 -0.017 0.000 0.752 285 L CB -1.017 41.052 42.059 0.017 0.000 0.891 285 L HN 0.421 nan 8.230 nan 0.000 0.432 286 E N -0.320 119.863 120.200 -0.027 0.000 2.150 286 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 286 E C 2.271 178.842 176.600 -0.050 0.000 0.985 286 E CA 1.063 57.435 56.400 -0.045 0.000 0.814 286 E CB -0.066 29.594 29.700 -0.066 0.000 0.752 286 E HN 0.342 nan 8.360 nan 0.000 0.466 287 V N 1.502 121.395 119.914 -0.035 0.000 2.626 287 V HA -0.209 3.910 4.120 -0.002 0.000 0.252 287 V C 1.871 177.924 176.094 -0.067 0.000 1.067 287 V CA 1.580 63.855 62.300 -0.042 0.000 1.081 287 V CB -0.401 31.419 31.823 -0.005 0.000 0.686 287 V HN 0.224 nan 8.190 nan 0.000 0.468 288 E N 0.244 120.412 120.200 -0.053 0.000 2.046 288 E HA -0.222 4.127 4.350 -0.002 0.000 0.190 288 E C 2.156 178.712 176.600 -0.072 0.000 0.982 288 E CA 1.076 57.442 56.400 -0.058 0.000 0.800 288 E CB -0.124 29.549 29.700 -0.044 0.000 0.756 288 E HN 0.642 nan 8.360 nan 0.000 0.449 289 E N 0.485 120.648 120.200 -0.063 0.000 2.463 289 E HA -0.134 4.215 4.350 -0.002 0.000 0.201 289 E C 1.573 178.120 176.600 -0.089 0.000 1.045 289 E CA 0.592 56.954 56.400 -0.064 0.000 0.872 289 E CB 0.102 29.773 29.700 -0.049 0.000 0.797 289 E HN 0.231 nan 8.360 nan 0.000 0.538 290 A N 0.314 123.062 122.820 -0.120 0.000 1.887 290 A HA 0.034 4.353 4.320 -0.002 0.000 0.212 290 A C 2.008 179.458 177.584 -0.223 0.000 1.198 290 A CA 0.212 52.146 52.037 -0.170 0.000 0.628 290 A CB -0.331 18.546 19.000 -0.205 0.000 0.847 290 A HN 0.272 nan 8.150 nan 0.000 0.449 291 L N -0.519 120.564 121.223 -0.233 0.000 2.083 291 L HA -0.153 4.186 4.340 -0.002 0.000 0.209 291 L C 2.506 179.291 176.870 -0.142 0.000 1.083 291 L CA 1.038 55.742 54.840 -0.226 0.000 0.752 291 L CB -0.424 41.539 42.059 -0.160 0.000 0.899 291 L HN 0.416 nan 8.230 nan 0.000 0.433 292 L N -1.227 119.932 121.223 -0.107 0.000 2.191 292 L HA -0.282 4.057 4.340 -0.002 0.000 0.212 292 L C 2.640 179.464 176.870 -0.078 0.000 1.103 292 L CA 0.993 55.787 54.840 -0.077 0.000 0.769 292 L CB -0.119 41.904 42.059 -0.061 0.000 0.908 292 L HN 0.405 nan 8.230 nan 0.000 0.438 293 C N -0.230 119.013 119.300 -0.096 0.000 2.508 293 C HA -0.161 4.298 4.460 -0.002 0.000 0.280 293 C C 2.777 177.716 174.990 -0.085 0.000 1.262 293 C CA 0.946 59.913 59.018 -0.086 0.000 1.706 293 C CB -0.501 27.183 27.740 -0.094 0.000 2.078 293 C HN 0.545 nan 8.230 nan 0.000 0.480 294 M N 0.325 119.856 119.600 -0.116 0.000 2.108 294 M HA -0.143 4.336 4.480 -0.002 0.000 0.261 294 M C 1.675 177.932 176.300 -0.072 0.000 1.066 294 M CA 1.712 56.952 55.300 -0.101 0.000 1.107 294 M CB -0.911 31.603 32.600 -0.144 0.000 1.356 294 M HN 0.434 nan 8.290 nan 0.000 0.406 295 D N 0.407 120.761 120.400 -0.076 0.000 2.330 295 D HA -0.148 4.490 4.640 -0.002 0.000 0.228 295 D C 1.674 177.949 176.300 -0.041 0.000 1.136 295 D CA 2.126 56.095 54.000 -0.051 0.000 0.983 295 D CB -0.349 40.422 40.800 -0.049 0.000 1.403 295 D HN 0.397 nan 8.370 nan 0.000 0.524 296 G N -1.172 107.604 108.800 -0.040 0.000 2.446 296 G HA2 0.535 4.494 3.960 -0.002 0.000 0.200 296 G HA3 0.535 4.494 3.960 -0.002 0.000 0.200 296 G C -0.782 174.096 174.900 -0.037 0.000 1.707 296 G CA 0.746 45.825 45.100 -0.034 0.000 0.697 296 G HN 0.667 nan 8.290 nan 0.000 0.675 297 A N -1.269 121.529 122.820 -0.037 0.000 2.555 297 A HA 0.695 5.014 4.320 -0.002 0.000 0.297 297 A C 0.173 177.736 177.584 -0.036 0.000 1.060 297 A CA 0.507 52.521 52.037 -0.038 0.000 0.710 297 A CB 0.983 19.963 19.000 -0.033 0.000 1.282 297 A HN 1.150 nan 8.150 nan 0.000 0.399 298 G N 0.790 109.566 108.800 -0.040 0.000 2.992 298 G HA2 0.596 4.555 3.960 -0.002 0.000 0.201 298 G HA3 0.596 4.555 3.960 -0.002 0.000 0.201 298 G C -2.364 172.518 174.900 -0.031 0.000 2.057 298 G CA -0.595 44.483 45.100 -0.036 0.000 0.800 298 G HN 0.574 nan 8.290 nan 0.000 0.700 299 P HA 0.326 nan 4.420 nan 0.000 0.279 299 P C -2.049 175.236 177.300 -0.025 0.000 1.239 299 P CA -1.231 61.854 63.100 -0.026 0.000 0.789 299 P CB 1.916 33.601 31.700 -0.025 0.000 0.933 300 P HA -0.153 nan 4.420 nan 0.000 0.216 300 P C 1.011 178.304 177.300 -0.012 0.000 1.153 300 P CA 1.299 64.389 63.100 -0.017 0.000 0.844 300 P CB -0.030 31.660 31.700 -0.016 0.000 0.787 301 D N -0.132 120.264 120.400 -0.007 0.000 2.117 301 D HA -0.159 4.480 4.640 -0.002 0.000 0.197 301 D C 2.083 178.381 176.300 -0.004 0.000 0.987 301 D CA 0.974 54.976 54.000 0.003 0.000 0.829 301 D CB -1.226 39.577 40.800 0.005 0.000 0.961 301 D HN 0.159 nan 8.370 nan 0.000 0.460 302 L N 0.183 121.397 121.223 -0.015 0.000 1.989 302 L HA -0.185 4.154 4.340 -0.002 0.000 0.211 302 L C 3.006 179.861 176.870 -0.025 0.000 1.071 302 L CA 1.395 56.221 54.840 -0.023 0.000 0.749 302 L CB -0.167 41.873 42.059 -0.033 0.000 0.890 302 L HN -0.012 nan 8.230 nan 0.000 0.431 303 R N -0.261 120.222 120.500 -0.028 0.000 2.073 303 R HA -0.223 4.116 4.340 -0.002 0.000 0.234 303 R C 2.129 178.409 176.300 -0.032 0.000 1.134 303 R CA 1.946 58.027 56.100 -0.033 0.000 0.952 303 R CB -0.383 29.898 30.300 -0.033 0.000 0.850 303 R HN 0.437 nan 8.270 nan 0.000 0.433 304 D N 0.506 120.891 120.400 -0.025 0.000 2.160 304 D HA -0.231 4.408 4.640 -0.002 0.000 0.189 304 D C 1.932 178.206 176.300 -0.043 0.000 1.003 304 D CA 1.827 55.809 54.000 -0.030 0.000 0.846 304 D CB -0.113 40.687 40.800 -0.001 0.000 0.949 304 D HN 0.265 nan 8.370 nan 0.000 0.446 305 L N 0.183 121.400 121.223 -0.009 0.000 2.056 305 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 305 L C 2.741 179.604 176.870 -0.013 0.000 1.078 305 L CA 0.445 55.290 54.840 0.007 0.000 0.749 305 L CB -0.432 41.652 42.059 0.043 0.000 0.901 305 L HN -0.042 nan 8.230 nan 0.000 0.433 306 V N 0.191 120.093 119.914 -0.019 0.000 2.332 306 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 306 V C 2.740 178.816 176.094 -0.030 0.000 1.055 306 V CA 2.453 64.741 62.300 -0.021 0.000 1.038 306 V CB -0.972 30.833 31.823 -0.029 0.000 0.651 306 V HN 0.691 nan 8.190 nan 0.000 0.450 307 T N -3.488 111.038 114.554 -0.047 0.000 2.770 307 T HA -0.159 4.190 4.350 -0.002 0.000 0.258 307 T C 1.866 176.515 174.700 -0.085 0.000 1.039 307 T CA 1.703 63.769 62.100 -0.058 0.000 1.143 307 T CB -0.723 68.107 68.868 -0.063 0.000 0.866 307 T HN 0.389 nan 8.240 nan 0.000 0.428 308 T N 2.873 117.346 114.554 -0.135 0.000 2.555 308 T HA -0.019 4.330 4.350 -0.002 0.000 0.264 308 T C 1.942 176.550 174.700 -0.154 0.000 1.083 308 T CA 1.780 63.732 62.100 -0.247 0.000 1.179 308 T CB -0.797 67.802 68.868 -0.449 0.000 0.863 308 T HN 0.263 nan 8.240 nan 0.000 0.412 309 L N 0.577 121.759 121.223 -0.069 0.000 2.043 309 L HA -0.131 4.208 4.340 -0.002 0.000 0.212 309 L C 2.997 179.889 176.870 0.035 0.000 1.075 309 L CA 1.636 56.495 54.840 0.031 0.000 0.752 309 L CB -1.263 40.838 42.059 0.069 0.000 0.891 309 L HN 0.435 nan 8.230 nan 0.000 0.432 310 G N -0.269 108.537 108.800 0.010 0.000 2.418 310 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.217 310 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.217 310 G C 1.559 176.478 174.900 0.032 0.000 1.158 310 G CA 0.748 45.859 45.100 0.018 0.000 0.771 310 G HN 0.500 nan 8.290 nan 0.000 0.545 311 G N 0.781 109.587 108.800 0.009 0.000 2.443 311 G HA2 0.132 4.090 3.960 -0.002 0.000 0.219 311 G HA3 0.132 4.090 3.960 -0.002 0.000 0.219 311 G C 1.940 176.903 174.900 0.104 0.000 1.131 311 G CA 1.400 46.516 45.100 0.027 0.000 0.775 311 G HN 0.624 nan 8.290 nan 0.000 0.547 312 A N 0.740 123.627 122.820 0.111 0.000 1.855 312 A HA 0.132 4.451 4.320 -0.002 0.000 0.215 312 A C 2.381 180.111 177.584 0.244 0.000 1.191 312 A CA 1.044 53.224 52.037 0.239 0.000 0.613 312 A CB -0.482 18.643 19.000 0.207 0.000 0.829 312 A HN 0.320 nan 8.150 nan 0.000 0.442 313 L N -0.421 120.891 121.223 0.149 0.000 2.043 313 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 313 L C 2.597 179.540 176.870 0.121 0.000 1.075 313 L CA 1.283 56.191 54.840 0.113 0.000 0.752 313 L CB -0.493 41.616 42.059 0.082 0.000 0.891 313 L HN 0.424 nan 8.230 nan 0.000 0.432 314 L N -2.015 119.295 121.223 0.145 0.000 2.027 314 L HA -0.240 4.099 4.340 -0.002 0.000 0.206 314 L C 2.413 179.411 176.870 0.213 0.000 1.074 314 L CA 1.355 56.297 54.840 0.170 0.000 0.745 314 L CB -0.764 41.373 42.059 0.131 0.000 0.898 314 L HN 0.419 nan 8.230 nan 0.000 0.433 315 W N 0.766 122.091 121.300 0.042 0.000 2.354 315 W HA -0.237 4.422 4.660 -0.001 0.000 0.315 315 W C 2.400 178.938 176.519 0.032 0.000 1.206 315 W CA 1.203 58.568 57.345 0.034 0.000 1.290 315 W CB -0.466 29.008 29.460 0.023 0.000 1.152 315 W HN -0.042 nan 8.180 nan 0.000 0.489 316 L N 1.457 122.602 121.223 -0.129 0.000 1.989 316 L HA -0.197 4.142 4.340 -0.002 0.000 0.211 316 L C 2.370 179.104 176.870 -0.226 0.000 1.071 316 L CA 2.801 57.439 54.840 -0.337 0.000 0.749 316 L CB -1.777 40.218 42.059 -0.107 0.000 0.890 316 L HN 0.323 nan 8.230 nan 0.000 0.431 317 S N -0.613 115.032 115.700 -0.092 0.000 2.727 317 S HA 0.050 4.519 4.470 -0.002 0.000 0.226 317 S C 1.398 175.910 174.600 -0.147 0.000 0.963 317 S CA 0.441 58.580 58.200 -0.101 0.000 0.950 317 S CB -0.869 62.309 63.200 -0.036 0.000 0.779 317 S HN 0.705 nan 8.310 nan 0.000 0.532 318 G N 0.785 109.502 108.800 -0.138 0.000 2.283 318 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.280 318 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.280 318 G C 0.202 175.103 174.900 0.001 0.000 1.029 318 G CA 0.812 45.851 45.100 -0.101 0.000 0.840 318 G HN 0.755 nan 8.290 nan 0.000 0.505 319 H N -0.600 118.476 119.070 0.010 0.000 2.549 319 H HA 0.555 5.110 4.556 -0.002 0.000 0.279 319 H C 1.154 176.510 175.328 0.048 0.000 1.018 319 H CA 0.459 56.521 56.048 0.022 0.000 1.175 319 H CB 0.555 30.324 29.762 0.011 0.000 1.485 319 H HN 0.736 nan 8.280 nan 0.000 0.543 320 A N -0.793 122.149 122.820 0.204 0.000 2.517 320 A HA 0.459 4.778 4.320 -0.002 0.000 0.297 320 A C 1.176 178.886 177.584 0.210 0.000 1.050 320 A CA -0.171 51.966 52.037 0.166 0.000 0.694 320 A CB 0.704 19.792 19.000 0.147 0.000 1.277 320 A HN 0.321 nan 8.150 nan 0.000 0.400 321 G N 0.732 109.621 108.800 0.147 0.000 2.764 321 G HA2 0.058 4.017 3.960 -0.002 0.000 0.219 321 G HA3 0.058 4.017 3.960 -0.002 0.000 0.219 321 G C 0.937 175.971 174.900 0.222 0.000 1.259 321 G CA 2.122 47.313 45.100 0.151 0.000 0.793 321 G HN 1.374 nan 8.290 nan 0.000 0.633 322 T N -2.522 112.084 114.554 0.087 0.000 2.883 322 T HA 0.382 4.731 4.350 -0.002 0.000 0.284 322 T C 1.097 175.708 174.700 -0.148 0.000 1.041 322 T CA 0.388 62.410 62.100 -0.130 0.000 1.007 322 T CB 1.651 70.407 68.868 -0.186 0.000 1.220 322 T HN 0.285 nan 8.240 nan 0.000 0.552 323 Q N 0.279 119.845 119.800 -0.390 0.000 2.119 323 Q HA -0.034 4.305 4.340 -0.002 0.000 0.201 323 Q C 2.125 178.045 176.000 -0.132 0.000 0.972 323 Q CA 1.845 57.522 55.803 -0.210 0.000 0.847 323 Q CB -0.579 27.962 28.738 -0.328 0.000 0.903 323 Q HN 0.763 nan 8.270 nan 0.000 0.433 324 A N 1.017 123.745 122.820 -0.155 0.000 1.865 324 A HA -0.281 4.037 4.320 -0.002 0.000 0.217 324 A C 2.011 179.556 177.584 -0.065 0.000 1.191 324 A CA 1.862 53.835 52.037 -0.106 0.000 0.623 324 A CB -0.704 18.236 19.000 -0.100 0.000 0.826 324 A HN 0.586 nan 8.150 nan 0.000 0.444 325 Q N -0.748 119.024 119.800 -0.046 0.000 2.020 325 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 325 Q C 2.298 178.294 176.000 -0.005 0.000 0.982 325 Q CA 1.203 56.996 55.803 -0.016 0.000 0.838 325 Q CB -0.605 28.137 28.738 0.006 0.000 0.899 325 Q HN 0.667 nan 8.270 nan 0.000 0.423 326 G N 1.430 110.239 108.800 0.015 0.000 2.628 326 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.217 326 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.217 326 G C 1.582 176.481 174.900 -0.002 0.000 1.240 326 G CA 1.521 46.641 45.100 0.033 0.000 0.792 326 G HN 0.459 nan 8.290 nan 0.000 0.593 327 A N 1.048 123.853 122.820 -0.025 0.000 1.958 327 A HA 0.044 4.363 4.320 -0.002 0.000 0.221 327 A C 2.839 180.398 177.584 -0.042 0.000 1.178 327 A CA 2.908 54.917 52.037 -0.047 0.000 0.642 327 A CB -0.940 18.009 19.000 -0.084 0.000 0.816 327 A HN 1.129 nan 8.150 nan 0.000 0.453 328 A N -0.725 122.071 122.820 -0.039 0.000 1.933 328 A HA -0.182 4.136 4.320 -0.002 0.000 0.218 328 A C 2.258 179.824 177.584 -0.029 0.000 1.175 328 A CA 1.807 53.823 52.037 -0.034 0.000 0.628 328 A CB -0.466 18.515 19.000 -0.031 0.000 0.814 328 A HN 0.585 nan 8.150 nan 0.000 0.444 329 R N -0.485 120.000 120.500 -0.025 0.000 2.090 329 R HA -0.050 4.289 4.340 -0.002 0.000 0.228 329 R C 1.903 178.186 176.300 -0.029 0.000 1.110 329 R CA 1.470 57.554 56.100 -0.027 0.000 0.973 329 R CB -0.294 29.989 30.300 -0.028 0.000 0.869 329 R HN 0.322 nan 8.270 nan 0.000 0.440 330 V N 1.150 121.048 119.914 -0.028 0.000 2.261 330 V HA -0.227 3.892 4.120 -0.002 0.000 0.246 330 V C 2.521 178.596 176.094 -0.031 0.000 1.047 330 V CA 1.917 64.201 62.300 -0.028 0.000 1.015 330 V CB -0.881 30.927 31.823 -0.025 0.000 0.642 330 V HN 0.518 nan 8.190 nan 0.000 0.446 331 A N 0.249 123.049 122.820 -0.033 0.000 1.927 331 A HA -0.265 4.054 4.320 -0.002 0.000 0.220 331 A C 2.462 180.027 177.584 -0.031 0.000 1.185 331 A CA 2.664 54.680 52.037 -0.034 0.000 0.639 331 A CB -1.009 17.970 19.000 -0.036 0.000 0.820 331 A HN 0.635 nan 8.150 nan 0.000 0.451 332 A N -0.193 122.610 122.820 -0.029 0.000 1.873 332 A HA 0.021 4.340 4.320 -0.002 0.000 0.218 332 A C 2.581 180.149 177.584 -0.026 0.000 1.193 332 A CA 2.808 54.829 52.037 -0.026 0.000 0.629 332 A CB -1.286 17.699 19.000 -0.026 0.000 0.826 332 A HN 1.300 nan 8.150 nan 0.000 0.447 333 A N -0.359 122.445 122.820 -0.028 0.000 1.892 333 A HA -0.129 4.190 4.320 -0.002 0.000 0.218 333 A C 2.204 179.772 177.584 -0.027 0.000 1.188 333 A CA 1.690 53.712 52.037 -0.026 0.000 0.631 333 A CB -0.738 18.247 19.000 -0.026 0.000 0.822 333 A HN 0.517 nan 8.150 nan 0.000 0.447 334 L N -0.325 120.879 121.223 -0.031 0.000 2.013 334 L HA -0.246 4.093 4.340 -0.002 0.000 0.212 334 L C 2.075 178.924 176.870 -0.034 0.000 1.073 334 L CA 1.849 56.667 54.840 -0.037 0.000 0.753 334 L CB -0.784 41.251 42.059 -0.040 0.000 0.890 334 L HN 0.423 nan 8.230 nan 0.000 0.432 335 D N -0.239 120.143 120.400 -0.029 0.000 2.224 335 D HA -0.121 4.518 4.640 -0.002 0.000 0.205 335 D C 0.838 177.124 176.300 -0.022 0.000 0.965 335 D CA 1.216 55.200 54.000 -0.026 0.000 0.852 335 D CB -0.221 40.565 40.800 -0.024 0.000 0.947 335 D HN 0.561 nan 8.370 nan 0.000 0.494 336 D N -1.057 119.331 120.400 -0.020 0.000 2.525 336 D HA 0.237 4.876 4.640 -0.002 0.000 0.229 336 D C 1.397 177.689 176.300 -0.013 0.000 1.202 336 D CA -0.118 53.872 54.000 -0.016 0.000 0.828 336 D CB 0.116 40.906 40.800 -0.016 0.000 1.008 336 D HN 0.114 nan 8.370 nan 0.000 0.493 337 G N -0.075 108.717 108.800 -0.014 0.000 2.189 337 G HA2 -0.422 3.537 3.960 -0.002 0.000 0.267 337 G HA3 -0.422 3.537 3.960 -0.002 0.000 0.267 337 G C 1.389 176.288 174.900 -0.001 0.000 0.975 337 G CA 0.728 45.823 45.100 -0.008 0.000 0.644 337 G HN 0.383 nan 8.290 nan 0.000 0.537 338 S N 0.853 116.550 115.700 -0.006 0.000 2.378 338 S HA 0.003 4.472 4.470 -0.002 0.000 0.221 338 S C 2.858 177.464 174.600 0.011 0.000 1.037 338 S CA 2.397 60.595 58.200 -0.003 0.000 1.069 338 S CB -0.795 62.397 63.200 -0.013 0.000 1.006 338 S HN 1.611 nan 8.310 nan 0.000 0.423 339 A N 1.177 124.001 122.820 0.006 0.000 1.958 339 A HA -0.143 4.176 4.320 -0.002 0.000 0.221 339 A C 2.165 179.786 177.584 0.062 0.000 1.178 339 A CA 1.518 53.569 52.037 0.024 0.000 0.642 339 A CB -0.914 18.081 19.000 -0.010 0.000 0.816 339 A HN 0.466 nan 8.150 nan 0.000 0.453 340 L N -1.150 120.092 121.223 0.032 0.000 2.083 340 L HA -0.145 4.194 4.340 -0.002 0.000 0.209 340 L C 2.699 179.640 176.870 0.119 0.000 1.083 340 L CA 1.091 55.966 54.840 0.058 0.000 0.752 340 L CB -0.526 41.544 42.059 0.019 0.000 0.899 340 L HN 0.533 nan 8.230 nan 0.000 0.433 341 G N -0.938 107.907 108.800 0.075 0.000 2.424 341 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.214 341 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.214 341 G C 1.545 176.486 174.900 0.070 0.000 1.202 341 G CA 0.201 45.338 45.100 0.062 0.000 0.793 341 G HN 0.142 nan 8.290 nan 0.000 0.534 342 R N -0.038 120.500 120.500 0.064 0.000 2.094 342 R HA -0.067 4.272 4.340 -0.002 0.000 0.239 342 R C 2.191 178.544 176.300 0.088 0.000 1.137 342 R CA 1.215 57.345 56.100 0.051 0.000 0.943 342 R CB -1.360 28.964 30.300 0.040 0.000 0.850 342 R HN 0.381 nan 8.270 nan 0.000 0.433 343 F N 1.476 121.426 119.950 -0.001 0.000 2.120 343 F HA -0.264 4.261 4.527 -0.002 0.000 0.300 343 F C 2.263 178.081 175.800 0.029 0.000 1.095 343 F CA 2.175 60.184 58.000 0.015 0.000 1.249 343 F CB -0.278 38.725 39.000 0.005 0.000 0.995 343 F HN 0.218 nan 8.300 nan 0.000 0.480 344 E N -0.041 120.232 120.200 0.122 0.000 2.047 344 E HA -0.232 4.117 4.350 -0.002 0.000 0.191 344 E C 2.386 178.959 176.600 -0.046 0.000 0.987 344 E CA 1.242 57.662 56.400 0.033 0.000 0.799 344 E CB -0.113 29.634 29.700 0.079 0.000 0.752 344 E HN 0.421 nan 8.360 nan 0.000 0.449 345 R N 0.123 120.606 120.500 -0.028 0.000 2.091 345 R HA -0.159 4.180 4.340 -0.002 0.000 0.238 345 R C 2.573 178.828 176.300 -0.075 0.000 1.136 345 R CA 1.831 57.907 56.100 -0.040 0.000 0.959 345 R CB -0.428 29.855 30.300 -0.027 0.000 0.856 345 R HN 0.339 nan 8.270 nan 0.000 0.437 346 M N 0.878 120.411 119.600 -0.112 0.000 2.065 346 M HA -0.216 4.263 4.480 -0.002 0.000 0.259 346 M C 2.028 178.243 176.300 -0.141 0.000 1.069 346 M CA 1.799 57.019 55.300 -0.133 0.000 1.110 346 M CB -0.084 32.413 32.600 -0.172 0.000 1.328 346 M HN 0.155 nan 8.290 nan 0.000 0.405 347 L N -0.059 121.034 121.223 -0.217 0.000 1.989 347 L HA -0.214 4.124 4.340 -0.002 0.000 0.211 347 L C 2.808 179.633 176.870 -0.075 0.000 1.071 347 L CA 1.546 56.338 54.840 -0.081 0.000 0.749 347 L CB -1.376 40.609 42.059 -0.123 0.000 0.890 347 L HN 0.431 nan 8.230 nan 0.000 0.431 348 A N 0.341 123.117 122.820 -0.073 0.000 1.851 348 A HA -0.237 4.082 4.320 -0.002 0.000 0.216 348 A C 2.517 180.053 177.584 -0.080 0.000 1.195 348 A CA 2.077 54.079 52.037 -0.058 0.000 0.622 348 A CB -0.963 18.014 19.000 -0.038 0.000 0.831 348 A HN 0.437 nan 8.150 nan 0.000 0.444 349 A N -1.450 121.321 122.820 -0.082 0.000 2.084 349 A HA -0.184 4.135 4.320 -0.002 0.000 0.221 349 A C 1.737 179.245 177.584 -0.128 0.000 1.161 349 A CA 1.662 53.650 52.037 -0.081 0.000 0.653 349 A CB -0.376 18.587 19.000 -0.063 0.000 0.802 349 A HN 0.672 nan 8.150 nan 0.000 0.457 350 Q N -1.893 117.784 119.800 -0.205 0.000 2.302 350 Q HA 0.383 4.721 4.340 -0.002 0.000 0.332 350 Q C 0.806 176.585 176.000 -0.369 0.000 0.913 350 Q CA 0.202 55.789 55.803 -0.360 0.000 1.098 350 Q CB 0.297 28.637 28.738 -0.664 0.000 1.236 350 Q HN 0.788 nan 8.270 nan 0.000 0.436 351 G N -0.382 108.299 108.800 -0.198 0.000 2.217 351 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.246 351 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.246 351 G C 0.250 175.103 174.900 -0.079 0.000 0.990 351 G CA -0.066 44.951 45.100 -0.138 0.000 0.627 351 G HN 0.297 nan 8.290 nan 0.000 0.522 352 V N 1.869 121.746 119.914 -0.062 0.000 2.488 352 V HA 0.379 4.497 4.120 -0.002 0.000 0.277 352 V C 0.805 176.894 176.094 -0.008 0.000 1.046 352 V CA 0.088 62.387 62.300 -0.002 0.000 0.986 352 V CB 1.412 33.261 31.823 0.043 0.000 0.989 352 V HN 0.494 nan 8.190 nan 0.000 0.475 353 D N 7.249 127.650 120.400 0.002 0.000 2.554 353 D HA -0.005 4.634 4.640 -0.002 0.000 0.251 353 D C -1.356 174.945 176.300 0.003 0.000 1.213 353 D CA -0.637 53.364 54.000 0.000 0.000 0.900 353 D CB 1.036 41.840 40.800 0.006 0.000 1.135 353 D HN 0.286 nan 8.370 nan 0.000 0.522 354 P HA -0.237 nan 4.420 nan 0.000 0.219 354 P C 1.393 178.698 177.300 0.007 0.000 1.158 354 P CA 1.933 65.032 63.100 -0.001 0.000 0.895 354 P CB -0.029 31.669 31.700 -0.003 0.000 0.792 355 G N 0.171 108.975 108.800 0.007 0.000 2.514 355 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.217 355 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.217 355 G C 1.467 176.377 174.900 0.017 0.000 1.198 355 G CA 0.626 45.733 45.100 0.011 0.000 0.780 355 G HN 0.234 nan 8.290 nan 0.000 0.565 356 L N 1.375 122.609 121.223 0.018 0.000 2.021 356 L HA -0.148 4.191 4.340 -0.002 0.000 0.215 356 L C 3.074 179.966 176.870 0.037 0.000 1.074 356 L CA 2.756 57.612 54.840 0.026 0.000 0.760 356 L CB -1.256 40.819 42.059 0.028 0.000 0.889 356 L HN 0.332 nan 8.230 nan 0.000 0.433 357 A N -0.274 122.568 122.820 0.036 0.000 1.978 357 A HA -0.269 4.050 4.320 -0.002 0.000 0.220 357 A C 2.434 180.051 177.584 0.056 0.000 1.170 357 A CA 1.855 53.921 52.037 0.047 0.000 0.636 357 A CB -0.568 18.446 19.000 0.022 0.000 0.810 357 A HN 0.527 nan 8.150 nan 0.000 0.448 358 R N -0.760 119.763 120.500 0.038 0.000 2.153 358 R HA 0.116 4.455 4.340 -0.002 0.000 0.218 358 R C 2.148 178.470 176.300 0.036 0.000 1.072 358 R CA 1.156 57.278 56.100 0.037 0.000 0.990 358 R CB -0.302 30.012 30.300 0.024 0.000 0.889 358 R HN 0.425 nan 8.270 nan 0.000 0.452 359 A N 0.591 123.431 122.820 0.034 0.000 1.897 359 A HA -0.063 4.255 4.320 -0.002 0.000 0.215 359 A C 2.050 179.656 177.584 0.036 0.000 1.181 359 A CA 0.797 52.851 52.037 0.028 0.000 0.620 359 A CB -0.472 18.542 19.000 0.023 0.000 0.821 359 A HN 0.349 nan 8.150 nan 0.000 0.443 360 L N -0.690 120.565 121.223 0.053 0.000 2.046 360 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 360 L C 2.610 179.523 176.870 0.070 0.000 1.077 360 L CA 1.536 56.417 54.840 0.068 0.000 0.747 360 L CB -0.303 41.821 42.059 0.107 0.000 0.896 360 L HN 0.540 nan 8.230 nan 0.000 0.432 361 C N -2.047 117.307 119.300 0.090 0.000 2.518 361 C HA -0.050 4.409 4.460 -0.002 0.000 0.279 361 C C 2.808 177.821 174.990 0.037 0.000 1.279 361 C CA 0.529 59.595 59.018 0.079 0.000 1.703 361 C CB -0.412 27.404 27.740 0.126 0.000 2.072 361 C HN 0.399 nan 8.230 nan 0.000 0.487 362 S N 0.181 115.902 115.700 0.034 0.000 2.607 362 S HA 0.166 4.635 4.470 -0.002 0.000 0.224 362 S C 1.015 175.622 174.600 0.011 0.000 0.969 362 S CA 0.193 58.405 58.200 0.019 0.000 0.927 362 S CB -0.353 62.858 63.200 0.018 0.000 0.772 362 S HN 0.713 nan 8.310 nan 0.000 0.533 363 G N 1.651 110.459 108.800 0.014 0.000 2.503 363 G HA2 0.408 4.367 3.960 -0.002 0.000 0.257 363 G HA3 0.408 4.367 3.960 -0.002 0.000 0.257 363 G C 0.124 175.023 174.900 -0.002 0.000 1.214 363 G CA -0.471 44.633 45.100 0.007 0.000 0.839 363 G HN 0.397 nan 8.290 nan 0.000 0.559 364 S N 1.909 117.606 115.700 -0.004 0.000 2.617 364 S HA 0.263 4.732 4.470 -0.002 0.000 0.259 364 S C -1.687 172.906 174.600 -0.013 0.000 1.301 364 S CA -0.855 57.340 58.200 -0.009 0.000 0.984 364 S CB 1.612 64.807 63.200 -0.008 0.000 0.954 364 S HN 0.266 nan 8.310 nan 0.000 0.572 365 P HA 0.028 nan 4.420 nan 0.000 0.217 365 P C 1.612 178.901 177.300 -0.018 0.000 1.150 365 P CA 1.727 64.815 63.100 -0.020 0.000 0.832 365 P CB -0.276 31.412 31.700 -0.021 0.000 0.787 366 A N 0.004 122.815 122.820 -0.015 0.000 1.940 366 A HA -0.235 4.084 4.320 -0.002 0.000 0.219 366 A C 2.193 179.769 177.584 -0.014 0.000 1.176 366 A CA 1.568 53.596 52.037 -0.015 0.000 0.631 366 A CB -1.056 17.938 19.000 -0.011 0.000 0.814 366 A HN 0.094 nan 8.150 nan 0.000 0.446 367 E N -0.006 120.188 120.200 -0.010 0.000 2.031 367 E HA -0.180 4.168 4.350 -0.002 0.000 0.193 367 E C 2.200 178.795 176.600 -0.007 0.000 0.994 367 E CA 1.227 57.623 56.400 -0.006 0.000 0.800 367 E CB -0.368 29.331 29.700 -0.002 0.000 0.752 367 E HN 0.639 nan 8.360 nan 0.000 0.447 368 R N 0.547 121.043 120.500 -0.008 0.000 2.170 368 R HA -0.151 4.188 4.340 -0.002 0.000 0.242 368 R C 2.355 178.645 176.300 -0.017 0.000 1.145 368 R CA 1.199 57.295 56.100 -0.007 0.000 0.984 368 R CB -0.210 30.083 30.300 -0.011 0.000 0.869 368 R HN -0.075 nan 8.270 nan 0.000 0.455 369 R N 0.857 121.341 120.500 -0.026 0.000 2.073 369 R HA -0.043 4.296 4.340 -0.002 0.000 0.229 369 R C 2.005 178.283 176.300 -0.037 0.000 1.120 369 R CA 1.394 57.470 56.100 -0.041 0.000 0.967 369 R CB -0.223 30.049 30.300 -0.046 0.000 0.862 369 R HN 0.112 nan 8.270 nan 0.000 0.436 370 Q N -0.068 119.717 119.800 -0.025 0.000 2.472 370 Q HA 0.018 4.357 4.340 -0.002 0.000 0.208 370 Q C 1.160 177.153 176.000 -0.013 0.000 0.958 370 Q CA 0.715 56.506 55.803 -0.019 0.000 0.932 370 Q CB 0.331 29.061 28.738 -0.014 0.000 1.007 370 Q HN 0.386 nan 8.270 nan 0.000 0.508 371 L N -0.453 120.764 121.223 -0.009 0.000 2.556 371 L HA 0.208 4.547 4.340 -0.002 0.000 0.226 371 L C 0.601 177.471 176.870 0.000 0.000 1.089 371 L CA 0.192 55.032 54.840 -0.000 0.000 0.864 371 L CB 0.382 42.446 42.059 0.008 0.000 1.067 371 L HN 0.008 nan 8.230 nan 0.000 0.477 372 L N -0.624 120.593 121.223 -0.009 0.000 2.332 372 L HA 0.434 4.773 4.340 -0.002 0.000 0.269 372 L C -2.165 174.691 176.870 -0.022 0.000 1.016 372 L CA -2.128 52.706 54.840 -0.010 0.000 0.809 372 L CB 0.616 42.668 42.059 -0.011 0.000 1.280 372 L HN -0.306 nan 8.230 nan 0.000 0.447 373 P HA 0.027 nan 4.420 nan 0.000 0.257 373 P C -1.303 175.971 177.300 -0.043 0.000 1.189 373 P CA 0.201 63.285 63.100 -0.025 0.000 0.780 373 P CB 0.052 31.739 31.700 -0.020 0.000 0.772 374 R N 2.674 123.145 120.500 -0.050 0.000 2.532 374 R HA 0.816 5.155 4.340 -0.002 0.000 0.295 374 R C -0.221 176.050 176.300 -0.049 0.000 0.968 374 R CA -1.152 54.902 56.100 -0.077 0.000 0.916 374 R CB 1.292 31.538 30.300 -0.091 0.000 1.124 374 R HN 0.258 nan 8.270 nan 0.000 0.463 375 A N 2.400 125.192 122.820 -0.048 0.000 2.386 375 A HA 0.136 4.454 4.320 -0.002 0.000 0.246 375 A C 1.159 178.747 177.584 0.006 0.000 1.089 375 A CA -0.328 51.710 52.037 0.001 0.000 0.790 375 A CB 0.373 19.404 19.000 0.052 0.000 1.042 375 A HN 1.012 nan 8.150 nan 0.000 0.497 376 R N 0.045 120.553 120.500 0.014 0.000 2.340 376 R HA -0.114 4.225 4.340 -0.002 0.000 0.199 376 R C 0.361 176.673 176.300 0.021 0.000 0.998 376 R CA 2.051 58.158 56.100 0.012 0.000 0.874 376 R CB -0.341 29.966 30.300 0.011 0.000 0.721 376 R HN 0.892 nan 8.270 nan 0.000 0.473 377 E N -0.143 120.072 120.200 0.025 0.000 2.504 377 E HA 0.149 4.498 4.350 -0.002 0.000 0.253 377 E C -0.898 175.734 176.600 0.053 0.000 1.151 377 E CA -0.640 55.777 56.400 0.029 0.000 0.972 377 E CB 0.859 30.568 29.700 0.014 0.000 1.247 377 E HN 0.408 nan 8.360 nan 0.000 0.519 378 Q N 0.094 119.919 119.800 0.041 0.000 2.476 378 Q HA 0.213 4.551 4.340 -0.002 0.000 0.236 378 Q C -1.509 174.469 176.000 -0.036 0.000 0.844 378 Q CA -0.562 55.259 55.803 0.030 0.000 0.972 378 Q CB 0.912 29.765 28.738 0.192 0.000 1.498 378 Q HN 0.578 nan 8.270 nan 0.000 0.454 379 E N 2.131 122.284 120.200 -0.077 0.000 2.267 379 E HA 0.607 4.956 4.350 -0.002 0.000 0.258 379 E C -0.808 175.704 176.600 -0.147 0.000 1.074 379 E CA -0.942 55.406 56.400 -0.087 0.000 0.915 379 E CB 1.542 31.203 29.700 -0.065 0.000 1.186 379 E HN 0.559 nan 8.360 nan 0.000 0.439 380 E N 0.692 120.812 120.200 -0.132 0.000 2.256 380 E HA 0.262 4.611 4.350 -0.002 0.000 0.268 380 E C -0.930 175.569 176.600 -0.168 0.000 0.877 380 E CA -0.790 55.498 56.400 -0.187 0.000 0.757 380 E CB 1.600 31.210 29.700 -0.150 0.000 1.183 380 E HN 0.270 nan 8.360 nan 0.000 0.418 381 L N 3.944 125.000 121.223 -0.278 0.000 2.319 381 L HA 0.352 4.691 4.340 -0.002 0.000 0.280 381 L C 0.001 176.845 176.870 -0.042 0.000 1.099 381 L CA -0.019 54.724 54.840 -0.161 0.000 0.828 381 L CB 0.011 41.927 42.059 -0.238 0.000 1.150 381 L HN 0.484 nan 8.230 nan 0.000 0.442 382 L N 2.416 123.731 121.223 0.154 0.000 2.360 382 L HA 0.499 4.838 4.340 -0.002 0.000 0.271 382 L C 0.718 177.804 176.870 0.360 0.000 1.057 382 L CA -0.690 54.290 54.840 0.233 0.000 0.803 382 L CB 1.445 43.573 42.059 0.115 0.000 1.207 382 L HN 0.666 nan 8.230 nan 0.000 0.445 383 A N 3.340 126.335 122.820 0.291 0.000 2.492 383 A HA 0.284 4.603 4.320 -0.002 0.000 0.254 383 A C -1.525 176.081 177.584 0.038 0.000 1.091 383 A CA -0.976 51.119 52.037 0.096 0.000 0.768 383 A CB -0.092 18.933 19.000 0.042 0.000 1.028 383 A HN 0.614 nan 8.150 nan 0.000 0.498 384 P HA 0.023 nan 4.420 nan 0.000 0.215 384 P C 0.555 177.845 177.300 -0.016 0.000 1.157 384 P CA 1.705 64.802 63.100 -0.005 0.000 0.856 384 P CB 0.275 31.964 31.700 -0.019 0.000 0.786 385 A N -0.189 122.607 122.820 -0.040 0.000 2.354 385 A HA 0.457 4.775 4.320 -0.002 0.000 0.321 385 A C -0.492 177.072 177.584 -0.033 0.000 1.125 385 A CA -0.651 51.366 52.037 -0.032 0.000 0.799 385 A CB 0.630 19.607 19.000 -0.037 0.000 1.293 385 A HN -0.095 nan 8.150 nan 0.000 0.452 386 D N 0.069 120.457 120.400 -0.020 0.000 2.399 386 D HA 0.487 5.126 4.640 -0.002 0.000 0.241 386 D C 0.478 176.764 176.300 -0.023 0.000 1.133 386 D CA 1.576 55.566 54.000 -0.016 0.000 0.890 386 D CB 1.365 42.161 40.800 -0.007 0.000 1.201 386 D HN 0.981 nan 8.370 nan 0.000 0.432 387 G N 0.068 108.855 108.800 -0.022 0.000 2.315 387 G HA2 0.251 4.209 3.960 -0.002 0.000 0.294 387 G HA3 0.251 4.209 3.960 -0.002 0.000 0.294 387 G C -1.399 173.493 174.900 -0.013 0.000 1.300 387 G CA -0.707 44.381 45.100 -0.020 0.000 0.843 387 G HN 0.296 nan 8.290 nan 0.000 0.527 388 T N 1.171 115.728 114.554 0.005 0.000 2.788 388 T HA 0.459 4.808 4.350 -0.002 0.000 0.296 388 T C 0.486 175.201 174.700 0.025 0.000 1.009 388 T CA -0.233 61.885 62.100 0.030 0.000 0.949 388 T CB 1.238 70.165 68.868 0.098 0.000 0.946 388 T HN 0.693 nan 8.240 nan 0.000 0.453 389 V N 4.998 124.897 119.914 -0.025 0.000 2.555 389 V HA -0.054 4.065 4.120 -0.002 0.000 0.299 389 V C 1.506 177.616 176.094 0.026 0.000 1.012 389 V CA 0.744 63.017 62.300 -0.045 0.000 1.180 389 V CB 0.022 31.806 31.823 -0.065 0.000 0.887 389 V HN 0.849 nan 8.190 nan 0.000 0.476 390 E N 3.974 124.206 120.200 0.054 0.000 2.079 390 E HA 0.252 4.601 4.350 -0.002 0.000 0.191 390 E C 0.337 177.008 176.600 0.119 0.000 0.961 390 E CA 0.678 57.172 56.400 0.156 0.000 0.823 390 E CB 0.547 30.302 29.700 0.091 0.000 0.789 390 E HN 0.747 nan 8.360 nan 0.000 0.459 391 L N -2.814 118.433 121.223 0.039 0.000 2.869 391 L HA 0.462 4.801 4.340 -0.002 0.000 0.265 391 L C -1.476 175.395 176.870 0.002 0.000 1.011 391 L CA -0.826 54.034 54.840 0.033 0.000 0.913 391 L CB 1.846 43.936 42.059 0.051 0.000 1.490 391 L HN -0.343 nan 8.230 nan 0.000 0.410 392 V N 1.775 121.708 119.914 0.033 0.000 2.417 392 V HA 0.505 4.624 4.120 -0.002 0.000 0.291 392 V C 0.152 176.284 176.094 0.062 0.000 1.024 392 V CA -0.405 61.932 62.300 0.062 0.000 0.861 392 V CB 1.462 33.376 31.823 0.152 0.000 0.985 392 V HN 0.694 nan 8.190 nan 0.000 0.436 393 R N 3.115 123.648 120.500 0.056 0.000 2.343 393 R HA 0.303 4.642 4.340 -0.002 0.000 0.326 393 R C 1.338 177.676 176.300 0.063 0.000 1.055 393 R CA 0.464 56.594 56.100 0.049 0.000 0.961 393 R CB 0.773 31.094 30.300 0.035 0.000 0.978 393 R HN 0.927 nan 8.270 nan 0.000 0.443 394 A N 4.308 127.159 122.820 0.051 0.000 1.877 394 A HA -0.187 4.132 4.320 -0.002 0.000 0.216 394 A C 1.776 179.396 177.584 0.061 0.000 1.186 394 A CA 1.031 53.099 52.037 0.052 0.000 0.620 394 A CB -0.332 18.691 19.000 0.038 0.000 0.822 394 A HN 0.652 nan 8.150 nan 0.000 0.443 395 L N 0.460 121.712 121.223 0.049 0.000 1.970 395 L HA -0.079 4.260 4.340 -0.002 0.000 0.212 395 L C -0.654 176.228 176.870 0.020 0.000 1.071 395 L CA 2.537 57.394 54.840 0.028 0.000 0.751 395 L CB -1.404 40.643 42.059 -0.021 0.000 0.889 395 L HN 0.157 nan 8.230 nan 0.000 0.432 396 P HA -0.192 nan 4.420 nan 0.000 0.216 396 P C 2.161 179.490 177.300 0.049 0.000 1.150 396 P CA 1.450 64.569 63.100 0.031 0.000 0.843 396 P CB 0.011 31.738 31.700 0.045 0.000 0.787 397 L N -0.887 120.374 121.223 0.063 0.000 1.948 397 L HA -0.216 4.123 4.340 -0.002 0.000 0.212 397 L C 2.476 179.384 176.870 0.063 0.000 1.074 397 L CA 1.879 56.755 54.840 0.060 0.000 0.753 397 L CB -1.222 40.874 42.059 0.060 0.000 0.888 397 L HN -0.061 nan 8.230 nan 0.000 0.432 398 A N -0.276 122.590 122.820 0.078 0.000 1.927 398 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 398 A C 2.198 179.860 177.584 0.131 0.000 1.185 398 A CA 1.904 54.007 52.037 0.110 0.000 0.639 398 A CB -0.928 18.169 19.000 0.162 0.000 0.820 398 A HN 0.450 nan 8.150 nan 0.000 0.451 399 L N -0.988 120.284 121.223 0.083 0.000 2.056 399 L HA -0.151 4.188 4.340 -0.002 0.000 0.207 399 L C 2.549 179.472 176.870 0.089 0.000 1.078 399 L CA 1.065 55.933 54.840 0.046 0.000 0.749 399 L CB -0.421 41.623 42.059 -0.025 0.000 0.901 399 L HN 0.280 nan 8.230 nan 0.000 0.433 400 V N -0.529 119.428 119.914 0.072 0.000 2.283 400 V HA -0.254 3.865 4.120 -0.002 0.000 0.243 400 V C 2.346 178.490 176.094 0.083 0.000 1.039 400 V CA 1.211 63.551 62.300 0.067 0.000 1.016 400 V CB -0.313 31.536 31.823 0.043 0.000 0.650 400 V HN 0.226 nan 8.190 nan 0.000 0.449 401 L N -0.190 121.081 121.223 0.080 0.000 2.081 401 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 401 L C 2.370 179.305 176.870 0.109 0.000 1.080 401 L CA 2.189 57.075 54.840 0.076 0.000 0.754 401 L CB -1.226 40.869 42.059 0.060 0.000 0.893 401 L HN 0.515 nan 8.230 nan 0.000 0.433 402 H N -0.088 119.011 119.070 0.049 0.000 2.290 402 H HA -0.163 4.392 4.556 -0.002 0.000 0.298 402 H C 2.111 177.468 175.328 0.047 0.000 1.087 402 H CA 2.092 58.175 56.048 0.059 0.000 1.291 402 H CB 0.160 29.962 29.762 0.066 0.000 1.369 402 H HN 0.429 nan 8.280 nan 0.000 0.492 403 E N 0.110 120.425 120.200 0.192 0.000 2.209 403 E HA -0.137 4.212 4.350 -0.002 0.000 0.196 403 E C 1.691 178.316 176.600 0.040 0.000 0.993 403 E CA 0.883 57.348 56.400 0.108 0.000 0.819 403 E CB 0.011 29.768 29.700 0.095 0.000 0.745 403 E HN 0.546 nan 8.360 nan 0.000 0.477 404 L N -0.211 121.035 121.223 0.039 0.000 2.627 404 L HA 0.099 4.438 4.340 -0.002 0.000 0.233 404 L C 1.247 178.120 176.870 0.006 0.000 1.144 404 L CA 0.436 55.289 54.840 0.022 0.000 0.892 404 L CB -0.117 41.960 42.059 0.030 0.000 1.039 404 L HN 0.328 nan 8.230 nan 0.000 0.442 405 G N -0.430 108.354 108.800 -0.026 0.000 2.159 405 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.227 405 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.227 405 G C 0.743 175.629 174.900 -0.024 0.000 0.986 405 G CA 0.171 45.245 45.100 -0.043 0.000 0.651 405 G HN 0.405 nan 8.290 nan 0.000 0.523 406 A N -0.202 122.627 122.820 0.016 0.000 2.275 406 A HA 0.704 5.023 4.320 -0.002 0.000 0.212 406 A C 1.298 178.959 177.584 0.128 0.000 1.201 406 A CA 1.548 53.672 52.037 0.144 0.000 0.843 406 A CB 0.081 19.161 19.000 0.133 0.000 0.873 406 A HN 1.804 nan 8.150 nan 0.000 0.492 407 G N -0.996 107.720 108.800 -0.140 0.000 2.605 407 G HA2 0.541 4.500 3.960 -0.002 0.000 0.296 407 G HA3 0.541 4.500 3.960 -0.002 0.000 0.296 407 G C -1.109 173.547 174.900 -0.406 0.000 1.304 407 G CA -0.814 44.086 45.100 -0.334 0.000 0.941 407 G HN 0.126 nan 8.290 nan 0.000 0.475 408 R N -0.329 120.061 120.500 -0.182 0.000 2.428 408 R HA 0.577 4.915 4.340 -0.002 0.000 0.294 408 R C 1.011 177.309 176.300 -0.004 0.000 1.000 408 R CA -0.134 55.928 56.100 -0.064 0.000 0.960 408 R CB 1.647 31.970 30.300 0.038 0.000 1.076 408 R HN 0.477 nan 8.270 nan 0.000 0.475 409 S N 2.438 118.139 115.700 0.002 0.000 2.514 409 S HA 0.179 4.648 4.470 -0.002 0.000 0.223 409 S C -0.338 174.296 174.600 0.057 0.000 1.046 409 S CA -0.046 58.191 58.200 0.062 0.000 0.914 409 S CB 0.189 63.408 63.200 0.032 0.000 0.807 409 S HN 0.575 nan 8.310 nan 0.000 0.497 410 R N 0.727 121.250 120.500 0.038 0.000 2.745 410 R HA 0.521 4.860 4.340 -0.002 0.000 0.290 410 R C -0.652 175.667 176.300 0.033 0.000 1.260 410 R CA -0.174 55.948 56.100 0.037 0.000 1.045 410 R CB 0.070 30.388 30.300 0.030 0.000 1.257 410 R HN 0.143 nan 8.270 nan 0.000 0.400 411 A N 2.040 124.886 122.820 0.042 0.000 2.630 411 A HA 0.253 4.572 4.320 -0.002 0.000 0.231 411 A C 1.489 179.093 177.584 0.034 0.000 1.023 411 A CA 1.695 53.759 52.037 0.045 0.000 0.773 411 A CB -0.560 18.471 19.000 0.052 0.000 0.923 411 A HN 2.064 nan 8.150 nan 0.000 0.497 412 G N 0.658 109.479 108.800 0.035 0.000 2.143 412 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.248 412 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.248 412 G C -0.043 174.866 174.900 0.015 0.000 0.991 412 G CA 0.796 45.912 45.100 0.026 0.000 0.689 412 G HN 1.729 nan 8.290 nan 0.000 0.522 413 E N 0.221 120.428 120.200 0.012 0.000 2.202 413 E HA 0.728 5.076 4.350 -0.002 0.000 0.272 413 E C -2.272 174.320 176.600 -0.013 0.000 0.951 413 E CA -2.328 54.072 56.400 -0.001 0.000 0.813 413 E CB 1.630 31.328 29.700 -0.003 0.000 1.151 413 E HN 0.111 nan 8.360 nan 0.000 0.398 414 P HA 0.053 nan 4.420 nan 0.000 0.273 414 P C -1.183 176.083 177.300 -0.056 0.000 1.258 414 P CA -0.350 62.729 63.100 -0.035 0.000 0.802 414 P CB 0.321 32.003 31.700 -0.029 0.000 1.040 415 L N -0.024 121.147 121.223 -0.086 0.000 2.434 415 L HA 0.371 4.710 4.340 -0.002 0.000 0.260 415 L C -0.422 176.378 176.870 -0.116 0.000 0.983 415 L CA -0.554 54.213 54.840 -0.122 0.000 0.820 415 L CB 1.977 43.903 42.059 -0.222 0.000 1.361 415 L HN 0.145 nan 8.230 nan 0.000 0.410 416 R N 4.893 125.345 120.500 -0.080 0.000 2.612 416 R HA 0.250 4.589 4.340 -0.002 0.000 0.273 416 R C 0.702 176.977 176.300 -0.042 0.000 1.376 416 R CA -0.113 55.961 56.100 -0.044 0.000 1.171 416 R CB -0.197 30.096 30.300 -0.011 0.000 1.151 416 R HN 0.670 nan 8.270 nan 0.000 0.560 417 L N 0.294 121.466 121.223 -0.086 0.000 2.362 417 L HA -0.071 4.268 4.340 -0.002 0.000 0.219 417 L C 2.142 179.027 176.870 0.023 0.000 1.134 417 L CA 1.271 56.068 54.840 -0.071 0.000 0.807 417 L CB -0.295 41.703 42.059 -0.102 0.000 0.927 417 L HN 0.593 nan 8.230 nan 0.000 0.447 418 G N -0.100 108.704 108.800 0.007 0.000 2.396 418 G HA2 -0.041 3.917 3.960 -0.002 0.000 0.214 418 G HA3 -0.041 3.917 3.960 -0.002 0.000 0.214 418 G C 0.815 175.733 174.900 0.031 0.000 1.166 418 G CA -0.131 44.968 45.100 -0.003 0.000 0.793 418 G HN 0.066 nan 8.290 nan 0.000 0.533 419 V N 1.113 121.064 119.914 0.063 0.000 2.953 419 V HA 0.445 4.564 4.120 -0.002 0.000 0.304 419 V C 1.058 177.227 176.094 0.126 0.000 1.138 419 V CA 1.099 63.459 62.300 0.099 0.000 1.266 419 V CB 0.462 32.329 31.823 0.074 0.000 0.923 419 V HN 0.781 nan 8.190 nan 0.000 0.505 420 G N 2.237 111.118 108.800 0.136 0.000 2.367 420 G HA2 0.686 4.645 3.960 -0.002 0.000 0.272 420 G HA3 0.686 4.645 3.960 -0.002 0.000 0.272 420 G C -1.248 173.699 174.900 0.079 0.000 1.271 420 G CA 0.129 45.292 45.100 0.106 0.000 0.893 420 G HN 1.464 nan 8.290 nan 0.000 0.485 421 A N -0.734 122.113 122.820 0.044 0.000 2.574 421 A HA 0.832 5.151 4.320 -0.002 0.000 0.297 421 A C -1.132 176.423 177.584 -0.049 0.000 1.062 421 A CA -0.376 51.618 52.037 -0.072 0.000 0.686 421 A CB 1.825 20.765 19.000 -0.100 0.000 1.285 421 A HN 0.604 nan 8.150 nan 0.000 0.403 422 E N 1.421 121.546 120.200 -0.126 0.000 2.176 422 E HA 0.396 4.745 4.350 -0.002 0.000 0.267 422 E C -1.126 175.407 176.600 -0.111 0.000 0.893 422 E CA -0.753 55.607 56.400 -0.067 0.000 0.761 422 E CB 1.733 31.423 29.700 -0.016 0.000 1.133 422 E HN 0.451 nan 8.360 nan 0.000 0.409 423 L N 5.147 126.339 121.223 -0.051 0.000 2.315 423 L HA 0.157 4.496 4.340 -0.002 0.000 0.283 423 L C 0.774 177.641 176.870 -0.005 0.000 1.089 423 L CA 0.514 55.346 54.840 -0.015 0.000 0.833 423 L CB 0.579 42.660 42.059 0.036 0.000 1.170 423 L HN 0.733 nan 8.230 nan 0.000 0.442 424 L N 4.718 125.939 121.223 -0.004 0.000 2.592 424 L HA 0.133 4.472 4.340 -0.002 0.000 0.227 424 L C 0.479 177.386 176.870 0.062 0.000 1.127 424 L CA 0.122 54.969 54.840 0.012 0.000 0.884 424 L CB 0.028 42.073 42.059 -0.023 0.000 1.065 424 L HN 0.469 nan 8.230 nan 0.000 0.457 425 V N -4.885 115.095 119.914 0.108 0.000 3.001 425 V HA 0.593 4.712 4.120 -0.002 0.000 0.314 425 V C -1.269 174.855 176.094 0.050 0.000 1.099 425 V CA -0.877 61.476 62.300 0.087 0.000 0.989 425 V CB 2.846 34.746 31.823 0.129 0.000 1.040 425 V HN -0.147 nan 8.190 nan 0.000 0.434 426 D N 1.403 121.802 120.400 -0.001 0.000 2.278 426 D HA 0.469 5.108 4.640 -0.002 0.000 0.245 426 D C -0.149 176.099 176.300 -0.086 0.000 1.052 426 D CA -0.260 53.719 54.000 -0.034 0.000 0.834 426 D CB 2.215 42.984 40.800 -0.052 0.000 1.194 426 D HN 0.568 nan 8.370 nan 0.000 0.481 427 V N 3.087 122.950 119.914 -0.084 0.000 2.953 427 V HA 0.246 4.365 4.120 -0.002 0.000 0.304 427 V C 1.799 177.669 176.094 -0.373 0.000 1.138 427 V CA 1.750 63.967 62.300 -0.139 0.000 1.266 427 V CB 0.906 32.693 31.823 -0.060 0.000 0.923 427 V HN 0.997 nan 8.190 nan 0.000 0.505 428 G N 2.958 111.386 108.800 -0.619 0.000 2.225 428 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.254 428 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.254 428 G C 0.199 174.617 174.900 -0.803 0.000 0.988 428 G CA 0.533 44.633 45.100 -1.666 0.000 0.625 428 G HN 1.065 nan 8.290 nan 0.000 0.527 429 Q N -0.350 119.230 119.800 -0.366 0.000 2.180 429 Q HA 0.743 5.082 4.340 -0.002 0.000 0.241 429 Q C 0.167 176.114 176.000 -0.088 0.000 0.970 429 Q CA -0.897 54.797 55.803 -0.181 0.000 0.919 429 Q CB 1.058 29.723 28.738 -0.121 0.000 1.222 429 Q HN 0.416 nan 8.270 nan 0.000 0.482 430 R N 1.669 122.143 120.500 -0.044 0.000 2.338 430 R HA 0.536 4.875 4.340 -0.002 0.000 0.317 430 R C -0.854 175.439 176.300 -0.012 0.000 0.968 430 R CA -0.613 55.478 56.100 -0.016 0.000 0.849 430 R CB 0.762 31.063 30.300 0.001 0.000 1.128 430 R HN 0.815 nan 8.270 nan 0.000 0.448 431 L N 0.973 122.190 121.223 -0.010 0.000 2.271 431 L HA 0.779 5.118 4.340 -0.002 0.000 0.265 431 L C -1.145 175.726 176.870 0.002 0.000 1.013 431 L CA -1.464 53.377 54.840 0.003 0.000 0.820 431 L CB 1.927 43.993 42.059 0.013 0.000 1.352 431 L HN 0.522 nan 8.230 nan 0.000 0.443 432 R N 0.596 121.104 120.500 0.013 0.000 2.664 432 R HA 0.466 4.805 4.340 -0.002 0.000 0.286 432 R C -0.708 175.602 176.300 0.017 0.000 0.967 432 R CA -0.785 55.322 56.100 0.012 0.000 0.933 432 R CB 1.131 31.440 30.300 0.014 0.000 1.146 432 R HN 0.631 nan 8.270 nan 0.000 0.468 433 R N 1.044 121.550 120.500 0.009 0.000 2.504 433 R HA 0.099 4.438 4.340 -0.002 0.000 0.291 433 R C 0.349 176.665 176.300 0.027 0.000 0.974 433 R CA 1.774 57.882 56.100 0.013 0.000 1.077 433 R CB -0.220 30.084 30.300 0.006 0.000 0.926 433 R HN 0.876 nan 8.270 nan 0.000 0.407 434 G N 2.394 111.221 108.800 0.044 0.000 2.258 434 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.233 434 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.233 434 G C 0.209 175.149 174.900 0.067 0.000 1.006 434 G CA 0.283 45.414 45.100 0.051 0.000 0.620 434 G HN 0.919 nan 8.290 nan 0.000 0.511 435 T N 0.378 114.976 114.554 0.073 0.000 2.900 435 T HA 0.541 4.890 4.350 -0.002 0.000 0.307 435 T C -2.475 172.304 174.700 0.132 0.000 1.065 435 T CA -0.840 61.309 62.100 0.081 0.000 1.105 435 T CB 1.855 70.767 68.868 0.073 0.000 0.979 435 T HN 0.156 nan 8.240 nan 0.000 0.544 436 P HA 0.239 nan 4.420 nan 0.000 0.284 436 P C 0.287 177.661 177.300 0.123 0.000 1.253 436 P CA -0.581 62.556 63.100 0.061 0.000 0.800 436 P CB 0.388 32.078 31.700 -0.016 0.000 0.961 437 W N 3.498 124.784 121.300 -0.023 0.000 2.661 437 W HA 0.458 5.117 4.660 -0.002 0.000 0.288 437 W C -1.473 175.028 176.519 -0.030 0.000 1.014 437 W CA -0.088 57.242 57.345 -0.024 0.000 1.396 437 W CB 0.005 29.452 29.460 -0.021 0.000 0.963 437 W HN 0.159 nan 8.180 nan 0.000 0.584 438 L N 1.879 122.547 121.223 -0.925 0.000 2.513 438 L HA 0.586 4.925 4.340 -0.002 0.000 0.261 438 L C -0.870 175.626 176.870 -0.623 0.000 0.945 438 L CA -0.708 53.610 54.840 -0.869 0.000 0.848 438 L CB 2.321 43.477 42.059 -1.505 0.000 1.334 438 L HN -0.035 nan 8.230 nan 0.000 0.407 439 R N 3.784 124.023 120.500 -0.435 0.000 2.494 439 R HA 0.796 5.135 4.340 -0.002 0.000 0.305 439 R C -1.884 174.110 176.300 -0.510 0.000 0.959 439 R CA -0.614 55.240 56.100 -0.409 0.000 0.864 439 R CB 1.924 32.025 30.300 -0.333 0.000 1.159 439 R HN 0.536 nan 8.270 nan 0.000 0.446 440 V N 5.168 124.814 119.914 -0.446 0.000 2.370 440 V HA 0.291 4.409 4.120 -0.002 0.000 0.283 440 V C -0.450 175.426 176.094 -0.363 0.000 1.023 440 V CA -0.761 61.312 62.300 -0.378 0.000 0.857 440 V CB 1.358 33.054 31.823 -0.211 0.000 0.985 440 V HN 0.746 nan 8.190 nan 0.000 0.443 441 H N 5.992 125.032 119.070 -0.050 0.000 2.690 441 H HA 0.479 5.034 4.556 -0.002 0.000 0.289 441 H C 0.199 175.515 175.328 -0.021 0.000 1.089 441 H CA -0.365 55.664 56.048 -0.032 0.000 1.299 441 H CB 0.786 30.533 29.762 -0.025 0.000 1.405 441 H HN 0.696 nan 8.280 nan 0.000 0.463 442 R N 1.079 121.621 120.500 0.070 0.000 2.803 442 R HA 0.378 4.717 4.340 -0.002 0.000 0.276 442 R C -0.691 175.630 176.300 0.035 0.000 0.978 442 R CA -0.780 55.344 56.100 0.040 0.000 0.939 442 R CB 1.371 31.678 30.300 0.012 0.000 1.179 442 R HN 0.114 nan 8.270 nan 0.000 0.472 443 D N 0.947 121.362 120.400 0.025 0.000 2.349 443 D HA 0.151 4.790 4.640 -0.002 0.000 0.214 443 D C 0.372 176.678 176.300 0.010 0.000 1.063 443 D CA 0.442 54.452 54.000 0.016 0.000 0.847 443 D CB 0.772 41.578 40.800 0.011 0.000 0.933 443 D HN 0.690 nan 8.370 nan 0.000 0.513 444 G N 0.659 109.465 108.800 0.010 0.000 2.552 444 G HA2 0.363 4.322 3.960 -0.002 0.000 0.324 444 G HA3 0.363 4.322 3.960 -0.002 0.000 0.324 444 G C -1.917 172.986 174.900 0.006 0.000 1.217 444 G CA -1.067 44.037 45.100 0.007 0.000 0.989 444 G HN -0.186 nan 8.290 nan 0.000 0.490 445 P HA 0.254 nan 4.420 nan 0.000 0.247 445 P C 0.128 177.429 177.300 0.002 0.000 1.225 445 P CA 1.095 64.197 63.100 0.003 0.000 0.768 445 P CB 0.279 31.981 31.700 0.003 0.000 1.020 446 A N -1.329 121.492 122.820 0.001 0.000 2.485 446 A HA 0.391 4.710 4.320 -0.002 0.000 0.299 446 A C -1.798 175.786 177.584 -0.000 0.000 0.947 446 A CA -0.787 51.249 52.037 -0.001 0.000 0.595 446 A CB -0.371 18.629 19.000 -0.000 0.000 1.397 446 A HN -0.005 nan 8.150 nan 0.000 0.462 447 L N 1.653 122.875 121.223 -0.003 0.000 2.357 447 L HA 0.599 4.938 4.340 -0.002 0.000 0.273 447 L C 1.243 178.116 176.870 0.005 0.000 1.080 447 L CA -0.254 54.586 54.840 0.000 0.000 0.803 447 L CB 1.809 43.865 42.059 -0.005 0.000 1.174 447 L HN 0.999 nan 8.230 nan 0.000 0.443 448 S N 0.843 116.549 115.700 0.009 0.000 2.655 448 S HA 0.269 4.738 4.470 -0.002 0.000 0.265 448 S C 1.155 175.762 174.600 0.012 0.000 1.240 448 S CA -0.182 58.024 58.200 0.010 0.000 0.986 448 S CB 1.371 64.579 63.200 0.012 0.000 0.985 448 S HN 0.766 nan 8.310 nan 0.000 0.562 449 G N 1.100 109.907 108.800 0.012 0.000 2.459 449 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.217 449 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.217 449 G C -1.046 173.864 174.900 0.016 0.000 1.183 449 G CA 0.884 45.993 45.100 0.014 0.000 0.776 449 G HN 0.650 nan 8.290 nan 0.000 0.552 450 P HA -0.099 nan 4.420 nan 0.000 0.215 450 P C 2.002 179.315 177.300 0.020 0.000 1.157 450 P CA 1.404 64.514 63.100 0.016 0.000 0.868 450 P CB -0.065 31.643 31.700 0.014 0.000 0.788 451 Q N -1.080 118.732 119.800 0.020 0.000 2.124 451 Q HA -0.128 4.211 4.340 -0.002 0.000 0.202 451 Q C 2.355 178.371 176.000 0.026 0.000 0.977 451 Q CA 1.502 57.319 55.803 0.023 0.000 0.850 451 Q CB -0.700 28.050 28.738 0.020 0.000 0.901 451 Q HN 0.203 nan 8.270 nan 0.000 0.429 452 S N 0.496 116.210 115.700 0.023 0.000 2.338 452 S HA -0.155 4.314 4.470 -0.002 0.000 0.218 452 S C 1.906 176.535 174.600 0.047 0.000 1.032 452 S CA 1.128 59.345 58.200 0.029 0.000 0.999 452 S CB 0.001 63.215 63.200 0.023 0.000 0.905 452 S HN 0.188 nan 8.310 nan 0.000 0.439 453 R N 1.006 121.530 120.500 0.040 0.000 2.117 453 R HA -0.069 4.270 4.340 -0.002 0.000 0.243 453 R C 2.431 178.763 176.300 0.053 0.000 1.143 453 R CA 1.473 57.599 56.100 0.044 0.000 0.968 453 R CB -0.804 29.514 30.300 0.029 0.000 0.863 453 R HN 0.491 nan 8.270 nan 0.000 0.444 454 A N 0.819 123.667 122.820 0.046 0.000 1.849 454 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 454 A C 2.102 179.733 177.584 0.078 0.000 1.202 454 A CA 1.730 53.796 52.037 0.048 0.000 0.629 454 A CB -0.903 18.119 19.000 0.038 0.000 0.834 454 A HN 0.251 nan 8.150 nan 0.000 0.447 455 L N -1.251 120.026 121.223 0.091 0.000 1.956 455 L HA -0.289 4.050 4.340 -0.002 0.000 0.216 455 L C 2.945 179.979 176.870 0.274 0.000 1.073 455 L CA 1.919 56.847 54.840 0.147 0.000 0.762 455 L CB -0.823 41.285 42.059 0.083 0.000 0.889 455 L HN 0.465 nan 8.230 nan 0.000 0.433 456 Q N 0.033 119.982 119.800 0.249 0.000 2.217 456 Q HA -0.238 4.101 4.340 -0.002 0.000 0.209 456 Q C 1.892 177.974 176.000 0.137 0.000 0.988 456 Q CA 1.578 57.557 55.803 0.293 0.000 0.878 456 Q CB -0.067 28.779 28.738 0.181 0.000 0.909 456 Q HN 0.462 nan 8.270 nan 0.000 0.424 457 E N -1.092 119.159 120.200 0.085 0.000 2.489 457 E HA 0.072 4.421 4.350 -0.002 0.000 0.193 457 E C 1.177 177.779 176.600 0.004 0.000 1.057 457 E CA 0.415 56.824 56.400 0.016 0.000 0.866 457 E CB 0.235 29.944 29.700 0.014 0.000 0.916 457 E HN 0.292 nan 8.360 nan 0.000 0.500 458 A N 0.626 123.484 122.820 0.063 0.000 2.206 458 A HA -0.008 4.310 4.320 -0.002 0.000 0.211 458 A C 1.031 178.600 177.584 -0.025 0.000 1.158 458 A CA 0.051 52.127 52.037 0.064 0.000 0.761 458 A CB -0.013 19.080 19.000 0.155 0.000 0.801 458 A HN 0.099 nan 8.150 nan 0.000 0.473 459 L N 1.733 122.838 121.223 -0.196 0.000 2.265 459 L HA 0.477 4.815 4.340 -0.002 0.000 0.288 459 L C -0.975 175.723 176.870 -0.287 0.000 1.058 459 L CA -0.046 54.510 54.840 -0.473 0.000 0.809 459 L CB 1.120 42.488 42.059 -1.151 0.000 1.179 459 L HN 0.033 nan 8.230 nan 0.000 0.429 460 V N 6.451 126.243 119.914 -0.202 0.000 2.409 460 V HA 0.515 4.634 4.120 -0.002 0.000 0.291 460 V C 0.088 176.115 176.094 -0.111 0.000 1.020 460 V CA -0.754 61.472 62.300 -0.123 0.000 0.848 460 V CB 1.710 33.496 31.823 -0.060 0.000 0.990 460 V HN 0.597 nan 8.190 nan 0.000 0.430 461 L N 4.220 125.382 121.223 -0.102 0.000 2.346 461 L HA 0.845 5.184 4.340 -0.002 0.000 0.274 461 L C 0.315 177.165 176.870 -0.034 0.000 1.007 461 L CA -0.144 54.652 54.840 -0.073 0.000 0.818 461 L CB 2.342 44.342 42.059 -0.099 0.000 1.284 461 L HN 0.896 nan 8.230 nan 0.000 0.424 462 S N -1.299 114.398 115.700 -0.005 0.000 2.704 462 S HA 0.314 4.783 4.470 -0.002 0.000 0.296 462 S C -0.052 174.554 174.600 0.010 0.000 1.138 462 S CA -0.671 57.531 58.200 0.003 0.000 0.875 462 S CB 1.979 65.189 63.200 0.017 0.000 1.151 462 S HN 0.735 nan 8.310 nan 0.000 0.500 463 D N -0.255 120.149 120.400 0.006 0.000 2.360 463 D HA 0.022 4.661 4.640 -0.002 0.000 0.210 463 D C 0.649 176.961 176.300 0.020 0.000 1.047 463 D CA -0.293 53.712 54.000 0.008 0.000 0.854 463 D CB 0.112 40.912 40.800 -0.001 0.000 0.936 463 D HN 0.538 nan 8.370 nan 0.000 0.514 464 R N 0.512 121.027 120.500 0.024 0.000 2.758 464 R HA 0.176 4.515 4.340 -0.002 0.000 0.263 464 R C -0.074 176.272 176.300 0.077 0.000 1.010 464 R CA 0.090 56.206 56.100 0.027 0.000 1.114 464 R CB 0.509 30.804 30.300 -0.008 0.000 0.985 464 R HN -0.010 nan 8.270 nan 0.000 0.439 465 A N 5.880 128.743 122.820 0.071 0.000 2.462 465 A HA 0.282 4.600 4.320 -0.002 0.000 0.243 465 A C -1.969 175.744 177.584 0.215 0.000 1.076 465 A CA -1.281 50.817 52.037 0.101 0.000 0.773 465 A CB -0.135 18.906 19.000 0.069 0.000 1.010 465 A HN 0.676 nan 8.150 nan 0.000 0.493 466 P HA 0.260 nan 4.420 nan 0.000 0.269 466 P C -0.723 176.749 177.300 0.286 0.000 1.211 466 P CA 0.674 63.873 63.100 0.165 0.000 0.781 466 P CB 0.114 31.833 31.700 0.032 0.000 0.877 467 F N -2.546 117.404 119.950 0.000 0.000 2.741 467 F HA 0.724 5.250 4.527 -0.002 0.000 0.313 467 F C -1.231 174.572 175.800 0.004 0.000 1.153 467 F CA -1.733 56.268 58.000 0.002 0.000 0.931 467 F CB 0.597 39.598 39.000 0.002 0.000 1.335 467 F HN 0.388 nan 8.300 nan 0.000 0.460 468 A N 1.318 124.197 122.820 0.098 0.000 2.388 468 A HA 0.719 5.037 4.320 -0.002 0.000 0.257 468 A C 0.159 177.769 177.584 0.044 0.000 1.095 468 A CA -0.118 51.924 52.037 0.007 0.000 0.791 468 A CB -0.019 19.014 19.000 0.054 0.000 1.029 468 A HN 1.537 nan 8.150 nan 0.000 0.489 469 A N 3.894 126.685 122.820 -0.049 0.000 2.462 469 A HA 0.553 4.872 4.320 -0.002 0.000 0.243 469 A C -1.386 176.249 177.584 0.085 0.000 1.076 469 A CA -0.804 51.239 52.037 0.009 0.000 0.773 469 A CB -0.548 18.430 19.000 -0.037 0.000 1.010 469 A HN 0.783 nan 8.150 nan 0.000 0.493 470 P HA 0.308 nan 4.420 nan 0.000 0.279 470 P C -0.188 177.169 177.300 0.094 0.000 1.276 470 P CA -0.488 62.682 63.100 0.116 0.000 0.801 470 P CB 1.023 32.803 31.700 0.133 0.000 1.127 471 S N 0.725 116.486 115.700 0.102 0.000 2.565 471 S HA 0.249 4.718 4.470 -0.002 0.000 0.274 471 S C -1.271 173.409 174.600 0.133 0.000 1.309 471 S CA -1.354 56.914 58.200 0.113 0.000 1.043 471 S CB -0.000 63.283 63.200 0.139 0.000 0.939 471 S HN 0.346 nan 8.310 nan 0.000 0.504 472 P HA 0.074 nan 4.420 nan 0.000 0.245 472 P C -0.029 177.345 177.300 0.124 0.000 1.212 472 P CA 0.060 63.205 63.100 0.076 0.000 0.774 472 P CB -0.086 31.625 31.700 0.019 0.000 0.999 473 F N 1.290 121.270 119.950 0.049 0.000 2.445 473 F HA 0.456 4.981 4.527 -0.002 0.000 0.359 473 F C 0.988 176.858 175.800 0.117 0.000 1.101 473 F CA -0.517 57.528 58.000 0.074 0.000 1.177 473 F CB 1.025 40.053 39.000 0.047 0.000 1.110 473 F HN -0.063 nan 8.300 nan 0.000 0.522 474 A N 5.303 127.831 122.820 -0.487 0.000 2.930 474 A HA 0.302 4.621 4.320 -0.002 0.000 0.213 474 A C 0.268 177.529 177.584 -0.539 0.000 2.276 474 A CA 0.261 52.121 52.037 -0.294 0.000 1.182 474 A CB -0.388 18.595 19.000 -0.028 0.000 1.301 474 A HN 0.756 nan 8.150 nan 0.000 0.481 475 E N -1.288 118.637 120.200 -0.458 0.000 2.405 475 E HA 0.647 4.996 4.350 -0.002 0.000 0.249 475 E C -1.557 174.872 176.600 -0.285 0.000 1.028 475 E CA -0.814 55.414 56.400 -0.286 0.000 0.897 475 E CB 1.238 30.860 29.700 -0.131 0.000 1.262 475 E HN 0.295 nan 8.360 nan 0.000 0.442 476 L N 1.256 122.476 121.223 -0.007 0.000 2.485 476 L HA 0.263 4.601 4.340 -0.002 0.000 0.260 476 L C -1.496 175.442 176.870 0.114 0.000 0.998 476 L CA -0.684 54.235 54.840 0.131 0.000 0.883 476 L CB 1.679 43.930 42.059 0.320 0.000 1.196 476 L HN 0.475 nan 8.230 nan 0.000 0.443 477 V N 5.524 125.484 119.914 0.077 0.000 2.529 477 V HA 0.152 4.270 4.120 -0.002 0.000 0.292 477 V C 0.365 176.518 176.094 0.100 0.000 1.028 477 V CA 0.139 62.480 62.300 0.069 0.000 1.074 477 V CB 0.542 32.391 31.823 0.043 0.000 0.958 477 V HN 0.531 nan 8.190 nan 0.000 0.481 478 L N 7.543 128.826 121.223 0.099 0.000 2.332 478 L HA 0.674 5.013 4.340 -0.002 0.000 0.269 478 L C -1.766 175.140 176.870 0.060 0.000 1.016 478 L CA -1.517 53.386 54.840 0.105 0.000 0.809 478 L CB 1.004 43.153 42.059 0.150 0.000 1.280 478 L HN 0.477 nan 8.230 nan 0.000 0.447 479 P HA 0.848 nan 4.420 nan 0.000 0.278 479 P C -2.508 174.798 177.300 0.010 0.000 1.266 479 P CA -0.625 62.485 63.100 0.016 0.000 0.807 479 P CB 0.524 32.223 31.700 -0.002 0.000 1.094 480 P HA 0.000 nan 4.420 nan 0.000 0.216 480 P CA 0.000 nan 63.100 nan 0.000 0.800 480 P CB 0.000 nan 31.700 nan 0.000 0.726