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 2r6d_1_F DATA FIRST_RESID 10 DATA SEQUENCE PPQSIEAEQA VLGAVFLDPA ALVPASEILI PEDFYRAAHQ KIFHAMLRVA DATA SEQUENCE DRGEPVDLVT VTAELAASEQ LEEIGGVSYL SELADAVPTA ANVEYYARIV DATA SEQUENCE EEKSVLRRLI RTATSIAQDG YTREDEIDVL LDEADRKIME XXXXXXXXXX DATA SEQUENCE KNIKDILVQT YDNIEXXXXX XXEITGIPTG FTELDRMTSG FQRSDLIIVA DATA SEQUENCE ARPSVGKTAF ALNIAQNVAT KTNENVAIFS LEMSAQQLVM RMLCAEGNIN DATA SEQUENCE AQNLRTGKLT PEDWGKLTMA MGSLSNAGIY IDDTPSIRVS DIRAKCRRLK DATA SEQUENCE QESGLGMIVI DYLQLIQGSG RXXXXXXXEV SEISRSLKAL ARELEVPVIA DATA SEQUENCE LSQLSRSVEX XXXXRPMMSD IRESGSIEQD ADIVAFLYXX XXXXXXXXXK DATA SEQUENCE NIIEIIIAKQ RNGPVGTVQL AFIKEYNKFV NL 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.124 177.300 -0.293 0.000 1.155 10 P CA 0.000 62.971 63.100 -0.215 0.000 0.800 10 P CB 0.000 31.541 31.700 -0.265 0.000 0.726 11 P HA 0.081 nan 4.420 nan 0.000 0.258 11 P C -0.282 176.884 177.300 -0.223 0.000 1.172 11 P CA 0.916 63.913 63.100 -0.172 0.000 0.762 11 P CB 0.978 32.608 31.700 -0.117 0.000 0.764 12 Q N 1.451 121.141 119.800 -0.184 0.000 2.647 12 Q HA 0.443 4.783 4.340 -0.001 0.000 0.283 12 Q C -1.876 174.081 176.000 -0.071 0.000 0.943 12 Q CA -0.800 54.904 55.803 -0.165 0.000 0.813 12 Q CB 1.184 29.728 28.738 -0.323 0.000 1.477 12 Q HN 0.220 nan 8.270 nan 0.000 0.393 13 S N 3.964 119.648 115.700 -0.027 0.000 2.317 13 S HA 0.263 4.733 4.470 -0.001 0.000 0.144 13 S C 1.159 175.778 174.600 0.031 0.000 1.660 13 S CA -0.572 57.622 58.200 -0.010 0.000 1.273 13 S CB 0.079 63.252 63.200 -0.045 0.000 1.330 13 S HN 0.603 nan 8.310 nan 0.000 0.395 14 I N 2.216 122.846 120.570 0.100 0.000 2.113 14 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 14 I C 2.333 178.503 176.117 0.088 0.000 1.057 14 I CA 1.966 63.368 61.300 0.169 0.000 1.314 14 I CB -1.444 36.676 38.000 0.200 0.000 1.022 14 I HN 0.668 nan 8.210 nan 0.000 0.408 15 E N 1.314 121.542 120.200 0.047 0.000 2.023 15 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 15 E C 2.362 178.912 176.600 -0.083 0.000 1.003 15 E CA 1.585 57.985 56.400 0.001 0.000 0.809 15 E CB -0.347 29.369 29.700 0.026 0.000 0.755 15 E HN 0.556 nan 8.360 nan 0.000 0.449 16 A N 1.816 124.598 122.820 -0.064 0.000 1.884 16 A HA -0.322 3.997 4.320 -0.001 0.000 0.219 16 A C 2.051 179.515 177.584 -0.199 0.000 1.197 16 A CA 2.049 54.017 52.037 -0.116 0.000 0.637 16 A CB -0.716 18.257 19.000 -0.045 0.000 0.827 16 A HN 0.251 nan 8.150 nan 0.000 0.450 17 E N -0.661 119.446 120.200 -0.154 0.000 2.026 17 E HA -0.313 4.037 4.350 -0.001 0.000 0.206 17 E C 2.282 178.835 176.600 -0.078 0.000 1.028 17 E CA 1.672 57.999 56.400 -0.121 0.000 0.845 17 E CB -0.392 29.297 29.700 -0.019 0.000 0.772 17 E HN 0.728 nan 8.360 nan 0.000 0.462 18 Q N -0.173 119.539 119.800 -0.147 0.000 2.197 18 Q HA -0.254 4.085 4.340 -0.001 0.000 0.211 18 Q C 2.128 178.066 176.000 -0.103 0.000 0.993 18 Q CA 1.634 57.362 55.803 -0.125 0.000 0.883 18 Q CB -0.250 28.455 28.738 -0.055 0.000 0.916 18 Q HN 0.305 nan 8.270 nan 0.000 0.418 19 A N -0.273 122.413 122.820 -0.223 0.000 1.970 19 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 19 A C 2.208 179.678 177.584 -0.191 0.000 1.170 19 A CA 0.915 52.745 52.037 -0.345 0.000 0.645 19 A CB -0.155 18.279 19.000 -0.944 0.000 0.816 19 A HN 0.207 nan 8.150 nan 0.000 0.447 20 V N -0.039 119.824 119.914 -0.083 0.000 2.323 20 V HA -0.199 3.920 4.120 -0.001 0.000 0.244 20 V C 2.497 178.690 176.094 0.164 0.000 1.041 20 V CA 1.645 64.010 62.300 0.108 0.000 1.025 20 V CB -0.894 31.042 31.823 0.188 0.000 0.656 20 V HN 0.533 nan 8.190 nan 0.000 0.451 21 L N 0.781 122.109 121.223 0.175 0.000 1.989 21 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 21 L C 2.632 179.550 176.870 0.079 0.000 1.071 21 L CA 2.067 56.967 54.840 0.101 0.000 0.749 21 L CB -1.070 41.053 42.059 0.107 0.000 0.890 21 L HN 0.482 nan 8.230 nan 0.000 0.431 22 G N -1.190 107.701 108.800 0.152 0.000 2.422 22 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.218 22 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.218 22 G C 1.706 176.708 174.900 0.170 0.000 1.140 22 G CA 0.699 45.940 45.100 0.234 0.000 0.775 22 G HN 0.486 nan 8.290 nan 0.000 0.545 23 A N 0.122 122.999 122.820 0.094 0.000 1.930 23 A HA 0.150 4.469 4.320 -0.001 0.000 0.217 23 A C 2.569 180.198 177.584 0.074 0.000 1.175 23 A CA 1.558 53.651 52.037 0.093 0.000 0.627 23 A CB -0.525 18.541 19.000 0.109 0.000 0.815 23 A HN 0.214 nan 8.150 nan 0.000 0.443 24 V N -0.890 119.036 119.914 0.021 0.000 2.214 24 V HA -0.262 3.858 4.120 -0.001 0.000 0.245 24 V C 2.242 178.317 176.094 -0.032 0.000 1.047 24 V CA 2.318 64.579 62.300 -0.066 0.000 0.998 24 V CB -1.065 30.631 31.823 -0.213 0.000 0.633 24 V HN 0.548 nan 8.190 nan 0.000 0.446 25 F N -0.419 119.538 119.950 0.011 0.000 2.082 25 F HA -0.304 4.223 4.527 -0.001 0.000 0.298 25 F C 2.288 178.091 175.800 0.006 0.000 1.091 25 F CA 1.835 59.837 58.000 0.004 0.000 1.230 25 F CB -0.902 38.102 39.000 0.006 0.000 0.983 25 F HN 0.046 nan 8.300 nan 0.000 0.485 26 L N -0.847 120.499 121.223 0.205 0.000 2.056 26 L HA -0.223 4.117 4.340 -0.001 0.000 0.207 26 L C 2.203 179.121 176.870 0.081 0.000 1.078 26 L CA 1.814 56.725 54.840 0.120 0.000 0.749 26 L CB -0.456 41.660 42.059 0.095 0.000 0.901 26 L HN 0.119 nan 8.230 nan 0.000 0.433 27 D N -0.408 120.032 120.400 0.067 0.000 2.146 27 D HA -0.040 4.599 4.640 -0.001 0.000 0.209 27 D C -1.089 175.231 176.300 0.034 0.000 0.973 27 D CA 0.718 54.745 54.000 0.046 0.000 0.860 27 D CB -0.650 40.175 40.800 0.041 0.000 1.015 27 D HN 0.215 nan 8.370 nan 0.000 0.465 28 P HA 0.389 nan 4.420 nan 0.000 0.250 28 P C -0.419 176.878 177.300 -0.006 0.000 1.808 28 P CA 0.076 63.179 63.100 0.006 0.000 1.117 28 P CB 0.570 32.263 31.700 -0.012 0.000 1.602 29 A N 0.328 123.153 122.820 0.008 0.000 2.255 29 A HA 0.259 4.579 4.320 -0.001 0.000 0.206 29 A C 1.961 179.555 177.584 0.016 0.000 1.193 29 A CA 0.952 52.993 52.037 0.007 0.000 0.794 29 A CB -0.591 18.416 19.000 0.012 0.000 0.794 29 A HN 0.314 nan 8.150 nan 0.000 0.481 30 A N -0.567 122.266 122.820 0.020 0.000 1.970 30 A HA 0.091 4.411 4.320 -0.001 0.000 0.216 30 A C 1.884 179.493 177.584 0.041 0.000 1.170 30 A CA 1.210 53.273 52.037 0.043 0.000 0.645 30 A CB -0.386 18.647 19.000 0.056 0.000 0.816 30 A HN 0.585 nan 8.150 nan 0.000 0.447 31 L N 0.124 121.344 121.223 -0.006 0.000 2.127 31 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 31 L C 2.279 179.155 176.870 0.009 0.000 1.089 31 L CA 1.570 56.388 54.840 -0.036 0.000 0.757 31 L CB -0.478 41.501 42.059 -0.133 0.000 0.899 31 L HN 0.185 nan 8.230 nan 0.000 0.434 32 V N 0.532 120.454 119.914 0.013 0.000 2.215 32 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 32 V C 0.007 176.136 176.094 0.057 0.000 1.047 32 V CA 2.479 64.794 62.300 0.025 0.000 0.999 32 V CB -2.042 29.791 31.823 0.018 0.000 0.635 32 V HN 0.348 nan 8.190 nan 0.000 0.450 33 P HA -0.098 nan 4.420 nan 0.000 0.220 33 P C 1.464 178.835 177.300 0.118 0.000 1.148 33 P CA 1.732 64.880 63.100 0.080 0.000 0.803 33 P CB -0.163 31.582 31.700 0.074 0.000 0.782 34 A N -0.089 122.825 122.820 0.155 0.000 2.015 34 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 34 A C 2.287 180.096 177.584 0.376 0.000 1.163 34 A CA 2.026 54.220 52.037 0.261 0.000 0.646 34 A CB -1.250 17.942 19.000 0.320 0.000 0.806 34 A HN 0.351 nan 8.150 nan 0.000 0.448 35 S N -0.929 114.935 115.700 0.273 0.000 2.483 35 S HA 0.032 4.501 4.470 -0.001 0.000 0.221 35 S C 1.437 176.134 174.600 0.161 0.000 1.030 35 S CA 0.715 59.079 58.200 0.273 0.000 0.925 35 S CB -0.303 62.987 63.200 0.149 0.000 0.795 35 S HN 0.582 nan 8.310 nan 0.000 0.511 36 E N 0.558 120.825 120.200 0.112 0.000 2.401 36 E HA 0.052 4.401 4.350 -0.001 0.000 0.199 36 E C 1.284 177.924 176.600 0.066 0.000 1.023 36 E CA 1.050 57.495 56.400 0.075 0.000 0.859 36 E CB -0.112 29.623 29.700 0.058 0.000 0.780 36 E HN 0.662 nan 8.360 nan 0.000 0.523 37 I N -0.527 120.089 120.570 0.077 0.000 3.812 37 I HA 0.058 4.228 4.170 -0.001 0.000 0.292 37 I C 0.413 176.541 176.117 0.018 0.000 1.206 37 I CA 0.048 61.372 61.300 0.041 0.000 1.370 37 I CB 0.668 38.686 38.000 0.030 0.000 1.328 37 I HN -0.105 nan 8.210 nan 0.000 0.453 38 L N 2.787 124.030 121.223 0.033 0.000 2.331 38 L HA 0.575 4.914 4.340 -0.001 0.000 0.275 38 L C -0.694 176.214 176.870 0.063 0.000 1.022 38 L CA -0.828 53.986 54.840 -0.043 0.000 0.812 38 L CB 2.013 43.922 42.059 -0.250 0.000 1.257 38 L HN 0.071 nan 8.230 nan 0.000 0.435 39 I N -0.948 119.656 120.570 0.056 0.000 2.545 39 I HA 0.476 4.646 4.170 -0.001 0.000 0.292 39 I C -2.150 174.059 176.117 0.154 0.000 1.040 39 I CA -2.146 59.246 61.300 0.154 0.000 1.068 39 I CB 1.900 39.980 38.000 0.133 0.000 1.251 39 I HN 0.247 nan 8.210 nan 0.000 0.424 40 P HA -0.301 nan 4.420 nan 0.000 0.229 40 P C 1.110 178.543 177.300 0.222 0.000 1.147 40 P CA 1.884 65.128 63.100 0.240 0.000 0.949 40 P CB 0.118 31.982 31.700 0.273 0.000 0.786 41 E N -0.915 119.376 120.200 0.152 0.000 2.187 41 E HA -0.204 4.145 4.350 -0.001 0.000 0.199 41 E C 1.702 178.373 176.600 0.119 0.000 1.004 41 E CA 1.404 57.871 56.400 0.113 0.000 0.813 41 E CB -0.940 28.805 29.700 0.076 0.000 0.736 41 E HN 0.389 nan 8.360 nan 0.000 0.468 42 D N -0.279 120.179 120.400 0.096 0.000 2.149 42 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 42 D C 0.040 176.333 176.300 -0.013 0.000 0.990 42 D CA 0.689 54.687 54.000 -0.003 0.000 0.839 42 D CB -0.260 40.474 40.800 -0.111 0.000 0.948 42 D HN 0.186 nan 8.370 nan 0.000 0.460 43 F N 0.947 120.873 119.950 -0.040 0.000 2.533 43 F HA -0.046 4.481 4.527 -0.000 0.000 0.378 43 F C 1.499 177.357 175.800 0.097 0.000 1.070 43 F CA -0.509 57.506 58.000 0.026 0.000 1.172 43 F CB 0.367 39.383 39.000 0.027 0.000 1.085 43 F HN -0.118 nan 8.300 nan 0.000 0.552 44 Y N 4.057 124.437 120.300 0.133 0.000 2.163 44 Y HA -0.023 4.527 4.550 -0.000 0.000 0.288 44 Y C 1.328 177.288 175.900 0.100 0.000 1.136 44 Y CA 1.164 59.316 58.100 0.087 0.000 1.147 44 Y CB -0.014 38.472 38.460 0.044 0.000 0.987 44 Y HN 0.300 nan 8.280 nan 0.000 0.509 45 R N 0.790 121.299 120.500 0.015 0.000 2.351 45 R HA 0.192 4.531 4.340 -0.001 0.000 0.318 45 R C 1.391 177.579 176.300 -0.187 0.000 1.055 45 R CA 0.341 56.315 56.100 -0.209 0.000 0.968 45 R CB 0.833 31.007 30.300 -0.209 0.000 0.974 45 R HN 0.488 nan 8.270 nan 0.000 0.439 46 A N 4.124 126.793 122.820 -0.252 0.000 1.903 46 A HA -0.301 4.018 4.320 -0.001 0.000 0.219 46 A C 2.175 179.653 177.584 -0.175 0.000 1.191 46 A CA 2.207 54.138 52.037 -0.177 0.000 0.638 46 A CB -0.574 18.320 19.000 -0.177 0.000 0.823 46 A HN 0.865 nan 8.150 nan 0.000 0.451 47 A N -0.893 121.763 122.820 -0.274 0.000 1.948 47 A HA -0.258 4.062 4.320 -0.001 0.000 0.220 47 A C 1.895 179.359 177.584 -0.200 0.000 1.177 47 A CA 2.019 53.876 52.037 -0.300 0.000 0.636 47 A CB -1.020 17.694 19.000 -0.477 0.000 0.815 47 A HN 0.818 nan 8.150 nan 0.000 0.449 48 H N -1.980 117.039 119.070 -0.086 0.000 2.436 48 H HA -0.020 4.536 4.556 -0.001 0.000 0.294 48 H C 2.327 177.493 175.328 -0.270 0.000 1.048 48 H CA 0.946 56.925 56.048 -0.115 0.000 1.353 48 H CB 0.039 29.844 29.762 0.071 0.000 1.414 48 H HN 0.607 nan 8.280 nan 0.000 0.536 49 Q N 1.198 120.986 119.800 -0.020 0.000 2.045 49 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 49 Q C 1.911 177.899 176.000 -0.021 0.000 0.991 49 Q CA 1.712 57.499 55.803 -0.026 0.000 0.851 49 Q CB 0.158 28.902 28.738 0.010 0.000 0.911 49 Q HN 0.199 nan 8.270 nan 0.000 0.418 50 K N 0.151 120.529 120.400 -0.038 0.000 2.044 50 K HA -0.166 4.153 4.320 -0.001 0.000 0.210 50 K C 1.821 178.430 176.600 0.015 0.000 1.049 50 K CA 1.591 57.864 56.287 -0.024 0.000 0.927 50 K CB -0.238 32.230 32.500 -0.053 0.000 0.713 50 K HN 0.250 nan 8.250 nan 0.000 0.443 51 I N -0.775 119.796 120.570 0.002 0.000 2.133 51 I HA -0.243 3.926 4.170 -0.001 0.000 0.238 51 I C 2.011 178.103 176.117 -0.042 0.000 1.074 51 I CA 1.147 62.451 61.300 0.007 0.000 1.342 51 I CB -0.338 37.697 38.000 0.059 0.000 1.053 51 I HN 0.033 nan 8.210 nan 0.000 0.404 52 F N 1.044 120.834 119.950 -0.266 0.000 2.184 52 F HA -0.331 4.195 4.527 -0.001 0.000 0.301 52 F C 2.700 178.420 175.800 -0.134 0.000 1.076 52 F CA 1.969 59.783 58.000 -0.310 0.000 1.295 52 F CB -0.408 38.215 39.000 -0.628 0.000 1.026 52 F HN 0.176 nan 8.300 nan 0.000 0.494 53 H N -0.381 118.685 119.070 -0.007 0.000 2.307 53 H HA -0.074 4.481 4.556 -0.001 0.000 0.303 53 H C 2.265 177.539 175.328 -0.090 0.000 1.073 53 H CA 1.373 57.410 56.048 -0.019 0.000 1.338 53 H CB -0.282 29.488 29.762 0.013 0.000 1.389 53 H HN 0.319 nan 8.280 nan 0.000 0.503 54 A N 1.045 123.884 122.820 0.031 0.000 1.933 54 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 54 A C 2.607 180.113 177.584 -0.130 0.000 1.175 54 A CA 1.653 53.674 52.037 -0.026 0.000 0.628 54 A CB -0.787 18.222 19.000 0.014 0.000 0.814 54 A HN 0.526 nan 8.150 nan 0.000 0.444 55 M N -1.046 118.427 119.600 -0.213 0.000 2.213 55 M HA -0.032 4.448 4.480 -0.001 0.000 0.263 55 M C 1.876 177.966 176.300 -0.349 0.000 1.062 55 M CA 1.399 56.508 55.300 -0.318 0.000 1.105 55 M CB -0.141 32.167 32.600 -0.487 0.000 1.385 55 M HN 0.435 nan 8.290 nan 0.000 0.417 56 L N -1.020 119.966 121.223 -0.395 0.000 2.179 56 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 56 L C 2.489 179.198 176.870 -0.269 0.000 1.096 56 L CA 0.809 55.437 54.840 -0.353 0.000 0.779 56 L CB -0.260 41.582 42.059 -0.361 0.000 0.922 56 L HN 0.257 nan 8.230 nan 0.000 0.443 57 R N -0.947 119.392 120.500 -0.268 0.000 2.119 57 R HA -0.086 4.254 4.340 -0.001 0.000 0.222 57 R C 2.109 178.337 176.300 -0.121 0.000 1.088 57 R CA 0.751 56.734 56.100 -0.196 0.000 0.984 57 R CB 0.096 30.302 30.300 -0.158 0.000 0.884 57 R HN 0.139 nan 8.270 nan 0.000 0.447 58 V N 0.690 120.534 119.914 -0.116 0.000 2.358 58 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 58 V C 2.288 178.332 176.094 -0.084 0.000 1.047 58 V CA 1.908 64.158 62.300 -0.083 0.000 1.035 58 V CB -0.578 31.199 31.823 -0.077 0.000 0.658 58 V HN 0.460 nan 8.190 nan 0.000 0.452 59 A N -0.721 122.032 122.820 -0.112 0.000 2.131 59 A HA -0.224 4.096 4.320 -0.001 0.000 0.220 59 A C 1.713 179.253 177.584 -0.074 0.000 1.158 59 A CA 1.756 53.735 52.037 -0.097 0.000 0.665 59 A CB -0.413 18.513 19.000 -0.124 0.000 0.795 59 A HN 0.549 nan 8.150 nan 0.000 0.460 60 D N -1.425 118.930 120.400 -0.075 0.000 2.325 60 D HA 0.139 4.779 4.640 -0.001 0.000 0.225 60 D C 1.622 177.897 176.300 -0.041 0.000 1.096 60 D CA 0.178 54.144 54.000 -0.056 0.000 0.844 60 D CB 0.271 41.033 40.800 -0.062 0.000 0.925 60 D HN 0.395 nan 8.370 nan 0.000 0.513 61 R N 0.261 120.738 120.500 -0.038 0.000 2.005 61 R HA 0.422 4.761 4.340 -0.001 0.000 0.213 61 R C 1.005 177.291 176.300 -0.022 0.000 1.308 61 R CA 0.784 56.868 56.100 -0.027 0.000 1.022 61 R CB -0.072 30.213 30.300 -0.024 0.000 0.883 61 R HN 0.084 nan 8.270 nan 0.000 0.470 62 G N -0.022 108.765 108.800 -0.022 0.000 2.640 62 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.686 62 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.686 62 G C -0.354 174.527 174.900 -0.032 0.000 1.229 62 G CA -0.062 45.023 45.100 -0.025 0.000 0.796 62 G HN 0.447 nan 8.290 nan 0.000 0.654 63 E N -0.786 119.398 120.200 -0.028 0.000 2.566 63 E HA 0.207 4.556 4.350 -0.001 0.000 0.193 63 E C -1.170 175.423 176.600 -0.012 0.000 0.945 63 E CA 0.253 56.642 56.400 -0.019 0.000 1.449 63 E CB 0.294 29.984 29.700 -0.017 0.000 1.654 63 E HN 0.612 nan 8.360 nan 0.000 0.844 64 P HA 0.452 nan 4.420 nan 0.000 0.349 64 P C -0.732 176.554 177.300 -0.023 0.000 1.165 64 P CA -0.588 62.499 63.100 -0.022 0.000 0.767 64 P CB 0.765 32.454 31.700 -0.018 0.000 1.623 65 V N 1.229 121.123 119.914 -0.033 0.000 2.407 65 V HA 0.632 4.752 4.120 -0.001 0.000 0.278 65 V C -0.289 175.807 176.094 0.003 0.000 1.037 65 V CA -0.168 62.104 62.300 -0.046 0.000 0.900 65 V CB 0.147 31.910 31.823 -0.101 0.000 0.983 65 V HN 0.916 nan 8.190 nan 0.000 0.459 66 D N 2.781 123.216 120.400 0.058 0.000 2.808 66 D HA 0.123 4.763 4.640 -0.001 0.000 0.294 66 D C 0.538 177.005 176.300 0.278 0.000 1.278 66 D CA -0.832 53.271 54.000 0.171 0.000 0.756 66 D CB 0.792 41.655 40.800 0.105 0.000 1.271 66 D HN 0.221 nan 8.370 nan 0.000 0.425 67 L N -0.039 121.356 121.223 0.287 0.000 2.010 67 L HA -0.228 4.111 4.340 -0.001 0.000 0.219 67 L C 2.295 179.222 176.870 0.096 0.000 1.077 67 L CA 1.937 56.849 54.840 0.120 0.000 0.773 67 L CB -0.433 41.561 42.059 -0.107 0.000 0.892 67 L HN 0.420 nan 8.230 nan 0.000 0.436 68 V N -1.388 118.562 119.914 0.060 0.000 2.379 68 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 68 V C 2.542 178.666 176.094 0.050 0.000 1.044 68 V CA 2.195 64.518 62.300 0.039 0.000 1.036 68 V CB -0.192 31.644 31.823 0.021 0.000 0.664 68 V HN 0.517 nan 8.190 nan 0.000 0.453 69 T N -0.833 113.754 114.554 0.056 0.000 2.867 69 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 69 T C 1.778 176.504 174.700 0.044 0.000 1.057 69 T CA 1.535 63.657 62.100 0.038 0.000 1.136 69 T CB -0.030 68.851 68.868 0.021 0.000 0.874 69 T HN 0.245 nan 8.240 nan 0.000 0.466 70 V N 1.841 121.807 119.914 0.087 0.000 2.379 70 V HA -0.098 4.022 4.120 -0.001 0.000 0.245 70 V C 3.022 179.172 176.094 0.093 0.000 1.044 70 V CA 2.123 64.477 62.300 0.091 0.000 1.036 70 V CB -1.081 30.839 31.823 0.162 0.000 0.664 70 V HN 0.755 nan 8.190 nan 0.000 0.453 71 T N -0.672 113.942 114.554 0.100 0.000 2.788 71 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 71 T C 1.894 176.618 174.700 0.040 0.000 1.044 71 T CA 1.653 63.793 62.100 0.065 0.000 1.139 71 T CB -0.405 68.489 68.868 0.044 0.000 0.867 71 T HN 0.434 nan 8.240 nan 0.000 0.454 72 A N 1.438 124.278 122.820 0.033 0.000 1.930 72 A HA 0.008 4.328 4.320 -0.001 0.000 0.217 72 A C 2.205 179.799 177.584 0.017 0.000 1.175 72 A CA 1.806 53.855 52.037 0.020 0.000 0.627 72 A CB -0.771 18.238 19.000 0.016 0.000 0.815 72 A HN 0.591 nan 8.150 nan 0.000 0.443 73 E N -0.574 119.637 120.200 0.018 0.000 2.482 73 E HA 0.097 4.446 4.350 -0.001 0.000 0.196 73 E C 1.498 178.111 176.600 0.020 0.000 1.047 73 E CA 0.364 56.772 56.400 0.013 0.000 0.869 73 E CB -0.216 29.484 29.700 0.002 0.000 0.836 73 E HN 0.624 nan 8.360 nan 0.000 0.520 74 L N -1.008 120.230 121.223 0.025 0.000 2.316 74 L HA 0.251 4.590 4.340 -0.001 0.000 0.207 74 L C 2.255 179.133 176.870 0.014 0.000 1.070 74 L CA 0.692 55.546 54.840 0.023 0.000 0.820 74 L CB -0.257 41.822 42.059 0.033 0.000 0.992 74 L HN 0.131 nan 8.230 nan 0.000 0.466 75 A N 0.438 123.267 122.820 0.015 0.000 1.972 75 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 75 A C 2.461 180.048 177.584 0.006 0.000 1.169 75 A CA 1.633 53.675 52.037 0.009 0.000 0.635 75 A CB -0.568 18.437 19.000 0.009 0.000 0.810 75 A HN 0.375 nan 8.150 nan 0.000 0.446 76 A N 0.561 123.387 122.820 0.009 0.000 1.829 76 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 76 A C 2.147 179.734 177.584 0.006 0.000 1.207 76 A CA 2.141 54.182 52.037 0.008 0.000 0.622 76 A CB -1.229 17.777 19.000 0.010 0.000 0.846 76 A HN 0.983 nan 8.150 nan 0.000 0.447 77 S N 0.797 116.502 115.700 0.008 0.000 2.954 77 S HA 0.172 4.642 4.470 -0.001 0.000 0.234 77 S C 0.520 175.117 174.600 -0.004 0.000 0.978 77 S CA 0.782 58.984 58.200 0.003 0.000 1.045 77 S CB -0.958 62.246 63.200 0.007 0.000 0.807 77 S HN 0.816 nan 8.310 nan 0.000 0.508 78 E N 0.696 120.894 120.200 -0.003 0.000 2.551 78 E HA -0.367 3.982 4.350 -0.001 0.000 0.251 78 E C -0.125 176.468 176.600 -0.012 0.000 1.210 78 E CA 1.343 57.739 56.400 -0.007 0.000 0.725 78 E CB -2.389 27.306 29.700 -0.008 0.000 1.290 78 E HN 0.978 nan 8.360 nan 0.000 0.413 79 Q N -0.038 119.754 119.800 -0.012 0.000 2.916 79 Q HA 0.499 4.838 4.340 -0.001 0.000 0.314 79 Q C 0.710 176.701 176.000 -0.015 0.000 1.194 79 Q CA -0.404 55.386 55.803 -0.021 0.000 1.079 79 Q CB 0.939 29.660 28.738 -0.028 0.000 1.322 79 Q HN 0.457 nan 8.270 nan 0.000 0.500 80 L N 0.087 121.303 121.223 -0.012 0.000 2.546 80 L HA 0.131 4.470 4.340 -0.001 0.000 0.182 80 L C 2.105 178.966 176.870 -0.015 0.000 1.167 80 L CA 0.200 55.038 54.840 -0.004 0.000 0.845 80 L CB 0.243 42.305 42.059 0.005 0.000 1.134 80 L HN 0.507 nan 8.230 nan 0.000 0.500 81 E N 0.596 120.787 120.200 -0.015 0.000 2.273 81 E HA -0.307 4.043 4.350 -0.001 0.000 0.198 81 E C 1.520 178.097 176.600 -0.038 0.000 1.002 81 E CA 1.202 57.590 56.400 -0.020 0.000 0.828 81 E CB 0.160 29.851 29.700 -0.015 0.000 0.747 81 E HN 0.470 nan 8.360 nan 0.000 0.491 82 E N -0.451 119.721 120.200 -0.046 0.000 2.478 82 E HA -0.018 4.331 4.350 -0.001 0.000 0.194 82 E C 1.651 178.190 176.600 -0.102 0.000 1.045 82 E CA -0.126 56.235 56.400 -0.066 0.000 0.868 82 E CB 0.275 29.941 29.700 -0.057 0.000 0.885 82 E HN 0.251 nan 8.360 nan 0.000 0.505 83 I N -0.584 119.921 120.570 -0.108 0.000 3.233 83 I HA 0.095 4.264 4.170 -0.001 0.000 0.228 83 I C 1.710 177.665 176.117 -0.271 0.000 1.039 83 I CA 0.771 61.960 61.300 -0.185 0.000 1.455 83 I CB -0.300 37.621 38.000 -0.132 0.000 1.311 83 I HN 0.016 nan 8.210 nan 0.000 0.437 84 G N -0.820 107.850 108.800 -0.216 0.000 3.364 84 G HA2 0.584 4.543 3.960 -0.001 0.000 0.191 84 G HA3 0.584 4.543 3.960 -0.001 0.000 0.191 84 G C -0.215 174.681 174.900 -0.006 0.000 1.352 84 G CA 0.239 45.275 45.100 -0.107 0.000 0.758 84 G HN 0.498 nan 8.290 nan 0.000 0.730 85 G N -1.339 107.501 108.800 0.066 0.000 2.753 85 G HA2 0.474 4.434 3.960 -0.001 0.000 0.285 85 G HA3 0.474 4.434 3.960 -0.001 0.000 0.285 85 G C 1.157 176.104 174.900 0.078 0.000 1.344 85 G CA 0.561 45.692 45.100 0.052 0.000 1.050 85 G HN 1.067 nan 8.290 nan 0.000 0.532 86 V N -1.558 118.385 119.914 0.047 0.000 2.913 86 V HA -0.087 4.033 4.120 -0.001 0.000 0.260 86 V C 2.514 178.625 176.094 0.028 0.000 1.098 86 V CA 2.065 64.386 62.300 0.035 0.000 1.121 86 V CB -0.808 31.018 31.823 0.005 0.000 0.714 86 V HN 0.465 nan 8.190 nan 0.000 0.487 87 S N -0.337 115.388 115.700 0.042 0.000 2.400 87 S HA -0.224 4.245 4.470 -0.001 0.000 0.232 87 S C 1.732 176.365 174.600 0.055 0.000 1.025 87 S CA 2.172 60.391 58.200 0.032 0.000 0.993 87 S CB -0.598 62.626 63.200 0.040 0.000 0.808 87 S HN 0.797 nan 8.310 nan 0.000 0.478 88 Y N 2.017 122.313 120.300 -0.007 0.000 2.220 88 Y HA 0.016 4.565 4.550 -0.001 0.000 0.291 88 Y C 1.927 177.831 175.900 0.007 0.000 1.129 88 Y CA 1.064 59.174 58.100 0.017 0.000 1.161 88 Y CB -0.231 38.254 38.460 0.042 0.000 0.997 88 Y HN 0.119 nan 8.280 nan 0.000 0.522 89 L N -1.238 120.088 121.223 0.172 0.000 1.989 89 L HA -0.280 4.059 4.340 -0.001 0.000 0.211 89 L C 2.607 179.319 176.870 -0.264 0.000 1.071 89 L CA 1.583 56.415 54.840 -0.013 0.000 0.749 89 L CB -1.119 40.893 42.059 -0.077 0.000 0.890 89 L HN 0.119 nan 8.230 nan 0.000 0.431 90 S N -0.392 115.183 115.700 -0.208 0.000 2.381 90 S HA -0.276 4.194 4.470 -0.001 0.000 0.230 90 S C 1.909 176.406 174.600 -0.171 0.000 1.052 90 S CA 1.744 59.827 58.200 -0.195 0.000 1.068 90 S CB -0.254 62.876 63.200 -0.116 0.000 0.918 90 S HN 0.412 nan 8.310 nan 0.000 0.448 91 E N 0.213 120.315 120.200 -0.163 0.000 2.118 91 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 91 E C 2.081 178.569 176.600 -0.187 0.000 0.992 91 E CA 0.964 57.251 56.400 -0.190 0.000 0.804 91 E CB -0.196 29.334 29.700 -0.283 0.000 0.741 91 E HN 0.447 nan 8.360 nan 0.000 0.458 92 L N 0.297 121.411 121.223 -0.180 0.000 1.976 92 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 92 L C 2.636 179.510 176.870 0.006 0.000 1.071 92 L CA 1.211 56.019 54.840 -0.053 0.000 0.746 92 L CB -0.601 41.547 42.059 0.149 0.000 0.890 92 L HN 0.137 nan 8.230 nan 0.000 0.432 93 A N 0.058 122.863 122.820 -0.024 0.000 1.849 93 A HA -0.271 4.049 4.320 -0.001 0.000 0.217 93 A C 1.929 179.501 177.584 -0.019 0.000 1.202 93 A CA 2.226 54.266 52.037 0.004 0.000 0.629 93 A CB -0.842 18.096 19.000 -0.104 0.000 0.834 93 A HN 0.427 nan 8.150 nan 0.000 0.447 94 D N -0.218 120.145 120.400 -0.061 0.000 2.309 94 D HA -0.006 4.634 4.640 -0.001 0.000 0.212 94 D C 1.903 178.182 176.300 -0.035 0.000 0.968 94 D CA 1.222 55.194 54.000 -0.046 0.000 0.882 94 D CB -0.186 40.579 40.800 -0.059 0.000 0.918 94 D HN 0.475 nan 8.370 nan 0.000 0.503 95 A N 0.088 122.882 122.820 -0.042 0.000 2.030 95 A HA 0.077 4.396 4.320 -0.001 0.000 0.215 95 A C 1.230 178.805 177.584 -0.015 0.000 1.164 95 A CA 0.090 52.106 52.037 -0.036 0.000 0.697 95 A CB 0.433 19.397 19.000 -0.060 0.000 0.827 95 A HN 0.067 nan 8.150 nan 0.000 0.457 96 V N 1.699 121.610 119.914 -0.004 0.000 2.481 96 V HA 0.228 4.348 4.120 -0.001 0.000 0.286 96 V C -1.074 175.039 176.094 0.032 0.000 1.042 96 V CA -1.190 61.118 62.300 0.013 0.000 0.928 96 V CB 1.723 33.552 31.823 0.009 0.000 0.986 96 V HN 0.381 nan 8.190 nan 0.000 0.462 97 P HA 0.062 nan 4.420 nan 0.000 0.212 97 P C 0.431 177.764 177.300 0.055 0.000 1.171 97 P CA 0.634 63.762 63.100 0.046 0.000 0.892 97 P CB 0.331 32.062 31.700 0.051 0.000 0.769 98 T N -1.388 113.211 114.554 0.075 0.000 2.876 98 T HA 0.653 5.003 4.350 -0.001 0.000 0.289 98 T C -0.491 174.268 174.700 0.099 0.000 1.014 98 T CA -0.576 61.567 62.100 0.072 0.000 0.986 98 T CB 1.011 69.912 68.868 0.056 0.000 1.021 98 T HN 0.035 nan 8.240 nan 0.000 0.458 99 A N 2.796 125.665 122.820 0.083 0.000 2.708 99 A HA 0.671 4.990 4.320 -0.001 0.000 0.293 99 A C 1.510 179.143 177.584 0.083 0.000 1.303 99 A CA 0.286 52.381 52.037 0.096 0.000 0.949 99 A CB -0.610 18.439 19.000 0.081 0.000 1.121 99 A HN 0.979 nan 8.150 nan 0.000 0.542 100 A N -0.464 122.396 122.820 0.068 0.000 2.197 100 A HA 0.098 4.418 4.320 -0.001 0.000 0.210 100 A C 1.758 179.363 177.584 0.036 0.000 1.180 100 A CA 0.454 52.516 52.037 0.041 0.000 0.846 100 A CB -0.174 18.834 19.000 0.013 0.000 0.884 100 A HN 0.467 nan 8.150 nan 0.000 0.487 101 N N 0.786 119.525 118.700 0.063 0.000 2.025 101 N HA -0.157 4.582 4.740 -0.001 0.000 0.194 101 N C 1.767 177.399 175.510 0.203 0.000 1.069 101 N CA 2.124 55.207 53.050 0.056 0.000 0.855 101 N CB -0.575 38.043 38.487 0.218 0.000 1.054 101 N HN 0.154 nan 8.380 nan 0.000 0.427 102 V N 0.382 120.510 119.914 0.358 0.000 0.656 102 V HA -0.339 3.780 4.120 -0.001 0.000 0.093 102 V C 0.637 176.927 176.094 0.326 0.000 2.224 102 V CA 2.636 65.132 62.300 0.328 0.000 3.474 102 V CB -1.314 30.625 31.823 0.193 0.000 0.940 102 V HN 0.761 nan 8.190 nan 0.000 0.897 103 E N -1.240 119.111 120.200 0.253 0.000 3.898 103 E HA 0.660 5.009 4.350 -0.001 0.000 0.219 103 E C -0.462 176.255 176.600 0.195 0.000 1.207 103 E CA -0.613 55.901 56.400 0.191 0.000 1.240 103 E CB 0.422 30.197 29.700 0.125 0.000 1.239 103 E HN 0.632 nan 8.360 nan 0.000 0.422 104 Y N -1.444 118.839 120.300 -0.029 0.000 2.848 104 Y HA -0.213 4.336 4.550 -0.001 0.000 0.385 104 Y C 0.263 176.161 175.900 -0.004 0.000 1.312 104 Y CA -0.430 57.641 58.100 -0.047 0.000 1.063 104 Y CB -0.516 37.765 38.460 -0.298 0.000 3.475 104 Y HN 0.210 nan 8.280 nan 0.000 0.305 105 Y N -2.590 117.327 120.300 -0.638 0.000 2.749 105 Y HA -0.530 4.020 4.550 -0.001 0.000 0.477 105 Y C 1.908 177.704 175.900 -0.174 0.000 1.115 105 Y CA 1.295 59.267 58.100 -0.214 0.000 2.869 105 Y CB -2.032 36.486 38.460 0.097 0.000 1.077 105 Y HN 0.722 nan 8.280 nan 0.000 0.595 106 A N 0.419 123.303 122.820 0.108 0.000 1.828 106 A HA -0.217 4.103 4.320 -0.001 0.000 0.215 106 A C 1.764 179.297 177.584 -0.084 0.000 1.203 106 A CA 2.281 54.316 52.037 -0.003 0.000 0.614 106 A CB -0.803 18.235 19.000 0.063 0.000 0.844 106 A HN 0.578 nan 8.150 nan 0.000 0.445 107 R N -0.662 119.801 120.500 -0.061 0.000 2.200 107 R HA -0.035 4.304 4.340 -0.001 0.000 0.234 107 R C 1.906 178.118 176.300 -0.147 0.000 1.127 107 R CA 1.164 57.213 56.100 -0.086 0.000 0.989 107 R CB -0.454 29.821 30.300 -0.043 0.000 0.869 107 R HN 0.615 nan 8.270 nan 0.000 0.459 108 I N -0.145 120.292 120.570 -0.221 0.000 2.193 108 I HA -0.228 3.941 4.170 -0.001 0.000 0.240 108 I C 2.168 178.174 176.117 -0.185 0.000 1.084 108 I CA 1.056 62.222 61.300 -0.224 0.000 1.365 108 I CB -0.226 37.607 38.000 -0.278 0.000 1.064 108 I HN -0.050 nan 8.210 nan 0.000 0.410 109 V N 0.808 120.590 119.914 -0.219 0.000 2.392 109 V HA -0.311 3.809 4.120 -0.001 0.000 0.249 109 V C 2.472 178.427 176.094 -0.232 0.000 1.059 109 V CA 2.025 64.152 62.300 -0.289 0.000 1.051 109 V CB -0.758 30.745 31.823 -0.532 0.000 0.658 109 V HN 0.498 nan 8.190 nan 0.000 0.455 110 E N 0.015 120.102 120.200 -0.189 0.000 2.110 110 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 110 E C 2.191 178.731 176.600 -0.099 0.000 0.988 110 E CA 1.436 57.758 56.400 -0.129 0.000 0.804 110 E CB 0.018 29.663 29.700 -0.093 0.000 0.745 110 E HN 0.730 nan 8.360 nan 0.000 0.458 111 E N 0.094 120.233 120.200 -0.103 0.000 2.047 111 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 111 E C 2.116 178.667 176.600 -0.083 0.000 0.987 111 E CA 0.894 57.244 56.400 -0.083 0.000 0.799 111 E CB 0.125 29.775 29.700 -0.083 0.000 0.752 111 E HN 0.038 nan 8.360 nan 0.000 0.449 112 K N 0.459 120.799 120.400 -0.100 0.000 2.147 112 K HA -0.084 4.235 4.320 -0.001 0.000 0.205 112 K C 2.241 178.791 176.600 -0.084 0.000 1.049 112 K CA 0.697 56.925 56.287 -0.098 0.000 0.936 112 K CB -0.506 31.927 32.500 -0.111 0.000 0.722 112 K HN -0.016 nan 8.250 nan 0.000 0.446 113 S N 0.650 116.301 115.700 -0.082 0.000 2.355 113 S HA -0.083 4.387 4.470 -0.001 0.000 0.222 113 S C 2.086 176.663 174.600 -0.038 0.000 1.031 113 S CA 0.980 59.149 58.200 -0.052 0.000 0.993 113 S CB -0.117 63.046 63.200 -0.061 0.000 0.859 113 S HN 0.030 nan 8.310 nan 0.000 0.453 114 V N 2.072 121.960 119.914 -0.044 0.000 2.343 114 V HA -0.140 3.979 4.120 -0.001 0.000 0.247 114 V C 2.425 178.500 176.094 -0.032 0.000 1.051 114 V CA 1.813 64.093 62.300 -0.033 0.000 1.036 114 V CB -0.595 31.208 31.823 -0.033 0.000 0.654 114 V HN 0.474 nan 8.190 nan 0.000 0.451 115 L N -0.606 120.591 121.223 -0.043 0.000 1.970 115 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 115 L C 2.864 179.710 176.870 -0.041 0.000 1.071 115 L CA 1.908 56.722 54.840 -0.043 0.000 0.751 115 L CB -0.485 41.541 42.059 -0.055 0.000 0.889 115 L HN 0.252 nan 8.230 nan 0.000 0.432 116 R N -0.841 119.630 120.500 -0.048 0.000 2.133 116 R HA -0.230 4.110 4.340 -0.001 0.000 0.247 116 R C 2.326 178.616 176.300 -0.017 0.000 1.151 116 R CA 1.454 57.530 56.100 -0.040 0.000 0.971 116 R CB -0.336 29.942 30.300 -0.037 0.000 0.866 116 R HN 0.353 nan 8.270 nan 0.000 0.447 117 R N 0.504 120.997 120.500 -0.012 0.000 2.200 117 R HA -0.031 4.309 4.340 -0.001 0.000 0.208 117 R C 2.158 178.454 176.300 -0.006 0.000 1.033 117 R CA 0.283 56.380 56.100 -0.004 0.000 1.000 117 R CB 0.001 30.302 30.300 -0.000 0.000 0.906 117 R HN 0.097 nan 8.270 nan 0.000 0.462 118 L N 1.082 122.297 121.223 -0.012 0.000 2.027 118 L HA -0.111 4.228 4.340 -0.001 0.000 0.206 118 L C 1.841 178.706 176.870 -0.009 0.000 1.074 118 L CA 1.709 56.542 54.840 -0.011 0.000 0.745 118 L CB -0.216 41.834 42.059 -0.015 0.000 0.898 118 L HN 0.101 nan 8.230 nan 0.000 0.433 119 I N -0.845 119.717 120.570 -0.014 0.000 2.226 119 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 119 I C 2.712 178.826 176.117 -0.005 0.000 1.100 119 I CA 1.388 62.681 61.300 -0.012 0.000 1.374 119 I CB -0.519 37.469 38.000 -0.021 0.000 1.057 119 I HN 0.257 nan 8.210 nan 0.000 0.413 120 R N 0.922 121.420 120.500 -0.003 0.000 2.094 120 R HA -0.202 4.137 4.340 -0.001 0.000 0.239 120 R C 2.350 178.653 176.300 0.005 0.000 1.137 120 R CA 2.431 58.533 56.100 0.003 0.000 0.943 120 R CB -0.375 29.929 30.300 0.008 0.000 0.850 120 R HN 0.537 nan 8.270 nan 0.000 0.433 121 T N -2.853 111.703 114.554 0.004 0.000 3.113 121 T HA 0.209 4.558 4.350 -0.001 0.000 0.256 121 T C 1.602 176.306 174.700 0.007 0.000 1.131 121 T CA 0.531 62.635 62.100 0.006 0.000 1.074 121 T CB 0.407 69.278 68.868 0.005 0.000 0.944 121 T HN 0.291 nan 8.240 nan 0.000 0.516 122 A N 1.908 124.732 122.820 0.006 0.000 1.878 122 A HA 0.113 4.432 4.320 -0.001 0.000 0.213 122 A C 2.536 180.130 177.584 0.015 0.000 1.192 122 A CA 1.414 53.457 52.037 0.009 0.000 0.619 122 A CB -1.152 17.851 19.000 0.005 0.000 0.837 122 A HN 0.486 nan 8.150 nan 0.000 0.446 123 T N -0.234 114.326 114.554 0.010 0.000 2.788 123 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 123 T C 2.181 176.890 174.700 0.016 0.000 1.044 123 T CA 1.703 63.809 62.100 0.010 0.000 1.139 123 T CB -0.347 68.521 68.868 0.001 0.000 0.867 123 T HN 0.454 nan 8.240 nan 0.000 0.454 124 S N 0.356 116.065 115.700 0.015 0.000 2.419 124 S HA -0.020 4.450 4.470 -0.001 0.000 0.233 124 S C 1.927 176.544 174.600 0.028 0.000 1.016 124 S CA 0.717 58.928 58.200 0.017 0.000 0.974 124 S CB -0.466 62.742 63.200 0.013 0.000 0.786 124 S HN 0.464 nan 8.310 nan 0.000 0.492 125 I N 0.948 121.537 120.570 0.031 0.000 2.277 125 I HA -0.027 4.142 4.170 -0.001 0.000 0.243 125 I C 2.754 178.913 176.117 0.069 0.000 1.094 125 I CA 0.804 62.127 61.300 0.039 0.000 1.393 125 I CB -0.618 37.398 38.000 0.028 0.000 1.078 125 I HN 0.331 nan 8.210 nan 0.000 0.417 126 A N 0.633 123.500 122.820 0.078 0.000 1.849 126 A HA -0.357 3.963 4.320 -0.001 0.000 0.217 126 A C 2.226 179.926 177.584 0.194 0.000 1.202 126 A CA 2.431 54.553 52.037 0.142 0.000 0.629 126 A CB -0.989 18.071 19.000 0.099 0.000 0.834 126 A HN 0.429 nan 8.150 nan 0.000 0.447 127 Q N -0.206 119.644 119.800 0.082 0.000 2.156 127 Q HA -0.245 4.094 4.340 -0.001 0.000 0.211 127 Q C 1.534 177.605 176.000 0.118 0.000 0.995 127 Q CA 2.441 58.271 55.803 0.044 0.000 0.877 127 Q CB -0.440 28.301 28.738 0.005 0.000 0.920 127 Q HN 0.676 nan 8.270 nan 0.000 0.416 128 D N -1.536 118.928 120.400 0.105 0.000 2.224 128 D HA -0.038 4.601 4.640 -0.001 0.000 0.205 128 D C 1.545 177.912 176.300 0.111 0.000 0.965 128 D CA 1.104 55.158 54.000 0.090 0.000 0.852 128 D CB -0.249 40.582 40.800 0.052 0.000 0.947 128 D HN 0.506 nan 8.370 nan 0.000 0.494 129 G N -0.557 108.331 108.800 0.148 0.000 2.498 129 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.219 129 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.219 129 G C 0.977 175.853 174.900 -0.039 0.000 1.119 129 G CA 0.617 45.742 45.100 0.041 0.000 0.766 129 G HN 0.300 nan 8.290 nan 0.000 0.552 130 Y N -0.034 120.265 120.300 -0.001 0.000 2.535 130 Y HA 0.112 4.662 4.550 -0.001 0.000 0.266 130 Y C 2.915 178.815 175.900 -0.001 0.000 1.088 130 Y CA 0.742 58.841 58.100 -0.001 0.000 1.285 130 Y CB -0.297 38.162 38.460 -0.001 0.000 1.166 130 Y HN 0.193 nan 8.280 nan 0.000 0.525 131 T N -1.303 113.349 114.554 0.164 0.000 3.085 131 T HA 0.157 4.507 4.350 -0.001 0.000 0.263 131 T C 0.674 175.405 174.700 0.053 0.000 1.127 131 T CA 0.187 62.339 62.100 0.087 0.000 1.103 131 T CB -0.080 68.826 68.868 0.063 0.000 0.921 131 T HN 0.032 nan 8.240 nan 0.000 0.510 132 R N -0.031 120.495 120.500 0.043 0.000 2.750 132 R HA 0.639 4.978 4.340 -0.001 0.000 0.281 132 R C -0.204 176.098 176.300 0.003 0.000 0.972 132 R CA -0.576 55.535 56.100 0.019 0.000 0.912 132 R CB 1.734 32.042 30.300 0.014 0.000 1.187 132 R HN 0.170 nan 8.270 nan 0.000 0.464 133 E N 0.416 120.615 120.200 -0.002 0.000 2.534 133 E HA 0.039 4.389 4.350 -0.001 0.000 0.179 133 E C -0.915 175.679 176.600 -0.011 0.000 0.916 133 E CA 0.166 56.558 56.400 -0.013 0.000 1.354 133 E CB 0.537 30.228 29.700 -0.014 0.000 1.321 133 E HN 0.672 nan 8.360 nan 0.000 0.663 134 D N -0.325 120.071 120.400 -0.006 0.000 4.907 134 D HA -0.160 4.480 4.640 -0.001 0.000 0.133 134 D C 0.722 177.020 176.300 -0.004 0.000 0.681 134 D CA 1.542 55.541 54.000 -0.002 0.000 0.963 134 D CB -0.784 40.017 40.800 0.002 0.000 0.667 134 D HN 0.055 nan 8.370 nan 0.000 0.600 135 E N 0.464 120.662 120.200 -0.003 0.000 2.045 135 E HA 0.229 4.578 4.350 -0.001 0.000 0.190 135 E C 1.580 178.176 176.600 -0.007 0.000 0.968 135 E CA 1.015 57.412 56.400 -0.004 0.000 0.813 135 E CB 0.408 30.107 29.700 -0.002 0.000 0.780 135 E HN 0.460 nan 8.360 nan 0.000 0.455 136 I N 0.329 120.893 120.570 -0.010 0.000 4.823 136 I HA -0.465 3.704 4.170 -0.001 0.000 0.040 136 I C 1.152 177.263 176.117 -0.011 0.000 0.632 136 I CA 2.114 63.406 61.300 -0.013 0.000 0.503 136 I CB -1.907 36.083 38.000 -0.016 0.000 0.507 136 I HN 0.213 nan 8.210 nan 0.000 0.153 137 D N 1.429 121.823 120.400 -0.010 0.000 2.311 137 D HA -0.007 4.633 4.640 -0.001 0.000 0.212 137 D C 2.070 178.365 176.300 -0.009 0.000 0.972 137 D CA 1.291 55.285 54.000 -0.010 0.000 0.887 137 D CB 0.001 40.795 40.800 -0.010 0.000 0.915 137 D HN 0.437 nan 8.370 nan 0.000 0.497 138 V N 0.616 120.526 119.914 -0.006 0.000 2.379 138 V HA -0.088 4.031 4.120 -0.001 0.000 0.243 138 V C 2.542 178.634 176.094 -0.003 0.000 1.035 138 V CA 0.550 62.847 62.300 -0.004 0.000 1.035 138 V CB -0.258 31.564 31.823 -0.002 0.000 0.673 138 V HN 0.162 nan 8.190 nan 0.000 0.457 139 L N -0.525 120.695 121.223 -0.004 0.000 1.989 139 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 139 L C 2.351 179.219 176.870 -0.004 0.000 1.071 139 L CA 1.859 56.698 54.840 -0.002 0.000 0.749 139 L CB -0.194 41.862 42.059 -0.004 0.000 0.890 139 L HN 0.291 nan 8.230 nan 0.000 0.431 140 L N -0.794 120.424 121.223 -0.008 0.000 2.275 140 L HA -0.204 4.136 4.340 -0.001 0.000 0.215 140 L C 1.925 178.790 176.870 -0.009 0.000 1.119 140 L CA 0.740 55.575 54.840 -0.009 0.000 0.790 140 L CB -0.346 41.706 42.059 -0.012 0.000 0.919 140 L HN 0.356 nan 8.230 nan 0.000 0.443 141 D N -0.154 120.242 120.400 -0.008 0.000 2.149 141 D HA -0.163 4.476 4.640 -0.001 0.000 0.206 141 D C 1.718 178.014 176.300 -0.005 0.000 0.967 141 D CA 1.171 55.166 54.000 -0.008 0.000 0.848 141 D CB 0.096 40.891 40.800 -0.009 0.000 0.998 141 D HN 0.521 nan 8.370 nan 0.000 0.474 142 E N 0.451 120.650 120.200 -0.003 0.000 2.494 142 E HA 0.150 4.500 4.350 -0.001 0.000 0.193 142 E C 1.397 177.998 176.600 0.001 0.000 1.074 142 E CA 0.223 56.623 56.400 -0.000 0.000 0.867 142 E CB 0.233 29.934 29.700 0.002 0.000 0.924 142 E HN 0.071 nan 8.360 nan 0.000 0.502 143 A N 1.240 124.060 122.820 0.000 0.000 2.030 143 A HA -0.052 4.267 4.320 -0.001 0.000 0.215 143 A C 1.557 179.141 177.584 -0.001 0.000 1.164 143 A CA 0.860 52.898 52.037 0.001 0.000 0.697 143 A CB 0.064 19.064 19.000 0.000 0.000 0.827 143 A HN 0.150 nan 8.150 nan 0.000 0.457 144 D N -0.001 120.397 120.400 -0.003 0.000 2.085 144 D HA -0.146 4.494 4.640 -0.001 0.000 0.199 144 D C 2.112 178.410 176.300 -0.003 0.000 0.981 144 D CA 1.344 55.341 54.000 -0.005 0.000 0.834 144 D CB -0.490 40.305 40.800 -0.007 0.000 0.992 144 D HN 0.472 nan 8.370 nan 0.000 0.457 145 R N 1.572 122.070 120.500 -0.003 0.000 2.134 145 R HA -0.209 4.130 4.340 -0.001 0.000 0.248 145 R C 1.799 178.100 176.300 0.000 0.000 1.143 145 R CA 1.631 57.730 56.100 -0.002 0.000 0.957 145 R CB -0.102 30.197 30.300 -0.001 0.000 0.867 145 R HN 0.110 nan 8.270 nan 0.000 0.441 146 K N -0.223 120.177 120.400 0.001 0.000 2.148 146 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 146 K C 1.942 178.543 176.600 0.002 0.000 1.050 146 K CA 0.869 57.158 56.287 0.003 0.000 0.942 146 K CB 0.037 32.539 32.500 0.005 0.000 0.724 146 K HN 0.275 nan 8.250 nan 0.000 0.446 147 I N 0.815 121.386 120.570 0.000 0.000 3.578 147 I HA -0.012 4.157 4.170 -0.001 0.000 0.295 147 I C 0.980 177.095 176.117 -0.002 0.000 1.280 147 I CA 0.600 61.899 61.300 -0.001 0.000 1.347 147 I CB -0.024 37.975 38.000 -0.001 0.000 1.051 147 I HN 0.150 nan 8.210 nan 0.000 0.460 148 M N 0.996 120.595 119.600 -0.002 0.000 2.854 148 M HA 0.219 4.698 4.480 -0.001 0.000 0.251 148 M C -0.218 176.081 176.300 -0.002 0.000 1.301 148 M CA 0.476 55.774 55.300 -0.003 0.000 1.059 148 M CB -0.590 32.008 32.600 -0.003 0.000 1.419 148 M HN 0.117 nan 8.290 nan 0.000 0.467 161 N N 2.443 121.145 118.700 0.003 0.000 2.434 161 N HA 0.307 5.046 4.740 -0.001 0.000 0.266 161 N C 0.587 176.099 175.510 0.003 0.000 1.223 161 N CA -0.495 52.557 53.050 0.002 0.000 0.972 161 N CB 0.946 39.434 38.487 0.001 0.000 1.207 161 N HN 0.671 nan 8.380 nan 0.000 0.525 162 I N 0.811 121.382 120.570 0.002 0.000 3.419 162 I HA -0.026 4.143 4.170 -0.001 0.000 0.286 162 I C 1.754 177.871 176.117 0.001 0.000 1.268 162 I CA 0.420 61.722 61.300 0.003 0.000 1.414 162 I CB 0.051 38.052 38.000 0.002 0.000 1.074 162 I HN 0.633 nan 8.210 nan 0.000 0.457 163 K N -0.353 120.046 120.400 -0.002 0.000 2.362 163 K HA -0.123 4.196 4.320 -0.001 0.000 0.200 163 K C 0.949 177.549 176.600 -0.001 0.000 1.046 163 K CA 1.432 57.715 56.287 -0.005 0.000 0.952 163 K CB -0.129 32.366 32.500 -0.007 0.000 0.753 163 K HN 0.251 nan 8.250 nan 0.000 0.466 164 D N 1.106 121.509 120.400 0.005 0.000 2.277 164 D HA 0.037 4.677 4.640 -0.001 0.000 0.209 164 D C 1.962 178.273 176.300 0.018 0.000 0.970 164 D CA 0.776 54.782 54.000 0.011 0.000 0.874 164 D CB 0.069 40.875 40.800 0.010 0.000 0.982 164 D HN 0.318 nan 8.370 nan 0.000 0.504 165 I N 0.520 121.100 120.570 0.016 0.000 2.617 165 I HA -0.099 4.070 4.170 -0.001 0.000 0.256 165 I C 2.177 178.313 176.117 0.031 0.000 1.167 165 I CA 0.459 61.773 61.300 0.022 0.000 1.469 165 I CB -0.059 37.951 38.000 0.017 0.000 1.098 165 I HN -0.127 nan 8.210 nan 0.000 0.436 166 L N 0.160 121.397 121.223 0.024 0.000 2.291 166 L HA -0.065 4.274 4.340 -0.001 0.000 0.214 166 L C 2.051 178.951 176.870 0.050 0.000 1.120 166 L CA 0.602 55.458 54.840 0.026 0.000 0.799 166 L CB -0.123 41.932 42.059 -0.006 0.000 0.925 166 L HN 0.096 nan 8.230 nan 0.000 0.446 167 V N -1.553 118.390 119.914 0.049 0.000 3.608 167 V HA -0.017 4.103 4.120 -0.001 0.000 0.269 167 V C 1.767 177.927 176.094 0.109 0.000 1.245 167 V CA 0.601 62.952 62.300 0.084 0.000 1.138 167 V CB 0.117 31.967 31.823 0.046 0.000 0.841 167 V HN 0.438 nan 8.190 nan 0.000 0.451 168 Q N -0.547 119.301 119.800 0.079 0.000 2.392 168 Q HA 0.022 4.362 4.340 -0.001 0.000 0.219 168 Q C 2.041 178.078 176.000 0.061 0.000 0.895 168 Q CA 0.909 56.749 55.803 0.061 0.000 0.929 168 Q CB 0.490 29.251 28.738 0.039 0.000 1.077 168 Q HN 0.575 nan 8.270 nan 0.000 0.532 169 T N -0.172 114.429 114.554 0.079 0.000 2.976 169 T HA -0.097 4.253 4.350 -0.001 0.000 0.257 169 T C 1.361 176.119 174.700 0.096 0.000 1.051 169 T CA 0.556 62.699 62.100 0.071 0.000 1.141 169 T CB -0.212 68.697 68.868 0.067 0.000 0.881 169 T HN 0.307 nan 8.240 nan 0.000 0.461 170 Y N 1.888 122.191 120.300 0.004 0.000 2.352 170 Y HA -0.064 4.486 4.550 -0.001 0.000 0.292 170 Y C 1.968 177.870 175.900 0.003 0.000 1.136 170 Y CA 1.064 59.166 58.100 0.003 0.000 1.227 170 Y CB -0.094 38.368 38.460 0.003 0.000 0.991 170 Y HN 0.077 nan 8.280 nan 0.000 0.545 171 D N -0.850 119.538 120.400 -0.019 0.000 2.327 171 D HA -0.089 4.550 4.640 -0.001 0.000 0.205 171 D C 1.235 177.485 176.300 -0.083 0.000 0.989 171 D CA 0.376 54.319 54.000 -0.094 0.000 0.873 171 D CB 0.046 40.859 40.800 0.022 0.000 0.955 171 D HN 0.359 nan 8.370 nan 0.000 0.515 172 N N 0.717 119.391 118.700 -0.043 0.000 2.300 172 N HA -0.058 4.682 4.740 -0.001 0.000 0.179 172 N C 1.839 177.319 175.510 -0.051 0.000 1.016 172 N CA 0.190 53.220 53.050 -0.033 0.000 0.876 172 N CB 0.136 38.619 38.487 -0.007 0.000 0.979 172 N HN 0.234 nan 8.380 nan 0.000 0.432 173 I N 1.543 122.068 120.570 -0.074 0.000 2.142 173 I HA -0.179 3.990 4.170 -0.001 0.000 0.240 173 I C 1.102 177.162 176.117 -0.094 0.000 1.078 173 I CA 0.868 62.123 61.300 -0.075 0.000 1.343 173 I CB -1.239 36.716 38.000 -0.075 0.000 1.046 173 I HN 0.262 nan 8.210 nan 0.000 0.405 183 I N 3.142 123.697 120.570 -0.025 0.000 2.269 183 I HA 0.101 4.270 4.170 -0.001 0.000 0.293 183 I C 1.272 177.375 176.117 -0.023 0.000 1.106 183 I CA -0.210 61.071 61.300 -0.031 0.000 1.248 183 I CB 1.082 39.057 38.000 -0.041 0.000 1.444 183 I HN 0.778 nan 8.210 nan 0.000 0.497 184 T N 3.831 118.374 114.554 -0.018 0.000 3.014 184 T HA 0.119 4.469 4.350 -0.001 0.000 0.263 184 T C 1.107 175.806 174.700 -0.001 0.000 1.078 184 T CA 1.026 63.120 62.100 -0.009 0.000 1.135 184 T CB 0.054 68.919 68.868 -0.006 0.000 0.895 184 T HN 0.741 nan 8.240 nan 0.000 0.480 185 G N 1.022 109.821 108.800 -0.001 0.000 2.882 185 G HA2 0.494 4.453 3.960 -0.001 0.000 0.164 185 G HA3 0.494 4.453 3.960 -0.001 0.000 0.164 185 G C -0.511 174.396 174.900 0.011 0.000 1.429 185 G CA -0.628 44.482 45.100 0.017 0.000 1.059 185 G HN 0.294 nan 8.290 nan 0.000 0.581 186 I N 2.802 123.393 120.570 0.035 0.000 2.301 186 I HA 0.247 4.416 4.170 -0.001 0.000 0.292 186 I C -2.027 174.078 176.117 -0.019 0.000 1.046 186 I CA -2.448 58.869 61.300 0.028 0.000 1.282 186 I CB 0.782 38.827 38.000 0.074 0.000 1.409 186 I HN 0.155 nan 8.210 nan 0.000 0.484 187 P HA 0.067 nan 4.420 nan 0.000 0.262 187 P C 0.627 177.855 177.300 -0.120 0.000 1.199 187 P CA 0.137 63.180 63.100 -0.094 0.000 0.763 187 P CB 0.571 32.224 31.700 -0.078 0.000 0.790 188 T N 1.681 116.126 114.554 -0.181 0.000 3.023 188 T HA 0.100 4.450 4.350 -0.001 0.000 0.266 188 T C 1.521 176.017 174.700 -0.340 0.000 1.093 188 T CA 1.101 63.087 62.100 -0.190 0.000 1.129 188 T CB -0.413 68.339 68.868 -0.194 0.000 0.899 188 T HN 0.694 nan 8.240 nan 0.000 0.491 189 G N 1.190 109.799 108.800 -0.317 0.000 2.234 189 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.235 189 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.235 189 G C 0.113 174.733 174.900 -0.466 0.000 0.997 189 G CA -0.473 44.370 45.100 -0.427 0.000 0.623 189 G HN 0.555 nan 8.290 nan 0.000 0.514 190 F N 2.687 122.617 119.950 -0.033 0.000 2.303 190 F HA 0.393 4.920 4.527 -0.001 0.000 0.368 190 F C 2.007 177.795 175.800 -0.020 0.000 1.105 190 F CA 0.038 58.039 58.000 0.000 0.000 1.153 190 F CB 1.108 40.129 39.000 0.035 0.000 1.362 190 F HN 0.124 nan 8.300 nan 0.000 0.511 191 T N -2.100 112.530 114.554 0.126 0.000 2.760 191 T HA -0.291 4.058 4.350 -0.001 0.000 0.269 191 T C 1.506 176.240 174.700 0.058 0.000 1.047 191 T CA 1.908 64.043 62.100 0.059 0.000 1.139 191 T CB -0.174 68.722 68.868 0.047 0.000 0.855 191 T HN 0.627 nan 8.240 nan 0.000 0.471 192 E N -0.198 120.058 120.200 0.092 0.000 2.250 192 E HA 0.142 4.492 4.350 -0.001 0.000 0.192 192 E C 1.896 178.527 176.600 0.051 0.000 0.986 192 E CA 0.087 56.526 56.400 0.064 0.000 0.849 192 E CB -0.050 29.691 29.700 0.069 0.000 0.797 192 E HN 0.384 nan 8.360 nan 0.000 0.482 193 L N 1.061 122.330 121.223 0.076 0.000 2.179 193 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 193 L C 1.189 178.024 176.870 -0.058 0.000 1.096 193 L CA 1.686 56.547 54.840 0.035 0.000 0.779 193 L CB -0.039 42.080 42.059 0.100 0.000 0.922 193 L HN -0.017 nan 8.230 nan 0.000 0.443 194 D N -0.663 119.702 120.400 -0.059 0.000 2.178 194 D HA -0.132 4.508 4.640 -0.001 0.000 0.202 194 D C 2.255 178.517 176.300 -0.063 0.000 0.974 194 D CA 0.719 54.657 54.000 -0.104 0.000 0.841 194 D CB -0.070 40.679 40.800 -0.084 0.000 0.953 194 D HN 0.271 nan 8.370 nan 0.000 0.478 195 R N -0.276 120.207 120.500 -0.029 0.000 2.083 195 R HA -0.043 4.296 4.340 -0.001 0.000 0.237 195 R C 2.220 178.511 176.300 -0.017 0.000 1.137 195 R CA 1.128 57.218 56.100 -0.016 0.000 0.951 195 R CB -0.088 30.212 30.300 -0.000 0.000 0.851 195 R HN 0.227 nan 8.270 nan 0.000 0.434 196 M N -0.999 118.593 119.600 -0.014 0.000 2.287 196 M HA -0.082 4.397 4.480 -0.001 0.000 0.266 196 M C 2.239 178.534 176.300 -0.009 0.000 1.079 196 M CA 1.768 57.065 55.300 -0.005 0.000 1.146 196 M CB 0.037 32.642 32.600 0.009 0.000 1.374 196 M HN 0.287 nan 8.290 nan 0.000 0.435 197 T N -3.603 110.928 114.554 -0.037 0.000 2.866 197 T HA 0.117 4.467 4.350 -0.001 0.000 0.250 197 T C 1.065 175.740 174.700 -0.040 0.000 1.033 197 T CA 0.819 62.898 62.100 -0.035 0.000 1.145 197 T CB 0.065 68.864 68.868 -0.115 0.000 0.866 197 T HN 0.319 nan 8.240 nan 0.000 0.434 198 S N -0.044 115.608 115.700 -0.079 0.000 3.034 198 S HA -0.056 4.413 4.470 -0.001 0.000 0.273 198 S C 0.794 175.360 174.600 -0.056 0.000 1.337 198 S CA 0.327 58.493 58.200 -0.056 0.000 0.994 198 S CB -1.711 61.473 63.200 -0.025 0.000 1.228 198 S HN 1.068 nan 8.310 nan 0.000 0.696 199 G N 0.222 108.968 108.800 -0.090 0.000 2.930 199 G HA2 0.605 4.564 3.960 -0.001 0.000 0.209 199 G HA3 0.605 4.564 3.960 -0.001 0.000 0.209 199 G C -0.395 174.431 174.900 -0.123 0.000 2.018 199 G CA -0.405 44.564 45.100 -0.219 0.000 0.751 199 G HN 0.232 nan 8.290 nan 0.000 0.770 200 F N 2.290 122.248 119.950 0.013 0.000 2.471 200 F HA 0.448 4.974 4.527 -0.001 0.000 0.365 200 F C 0.783 176.586 175.800 0.006 0.000 1.095 200 F CA -0.581 57.426 58.000 0.011 0.000 1.174 200 F CB 0.735 39.741 39.000 0.011 0.000 1.105 200 F HN 0.134 nan 8.300 nan 0.000 0.535 201 Q N 2.901 122.821 119.800 0.200 0.000 2.301 201 Q HA 0.476 4.816 4.340 -0.001 0.000 0.267 201 Q C -0.185 175.860 176.000 0.076 0.000 1.035 201 Q CA -1.220 54.645 55.803 0.103 0.000 0.856 201 Q CB 2.126 30.907 28.738 0.072 0.000 1.337 201 Q HN 0.518 nan 8.270 nan 0.000 0.450 202 R N 0.607 121.138 120.500 0.052 0.000 2.638 202 R HA -0.040 4.300 4.340 -0.001 0.000 0.268 202 R C 0.199 176.515 176.300 0.027 0.000 1.006 202 R CA 0.725 56.846 56.100 0.036 0.000 1.088 202 R CB 0.075 30.391 30.300 0.026 0.000 0.950 202 R HN 0.874 nan 8.270 nan 0.000 0.419 203 S N -0.634 115.077 115.700 0.019 0.000 2.857 203 S HA -0.139 4.330 4.470 -0.001 0.000 0.268 203 S C -0.418 174.187 174.600 0.008 0.000 1.297 203 S CA 1.431 59.637 58.200 0.011 0.000 1.280 203 S CB -0.871 62.335 63.200 0.010 0.000 1.562 203 S HN 0.744 nan 8.310 nan 0.000 0.661 204 D N 1.079 121.487 120.400 0.013 0.000 2.264 204 D HA 0.515 5.154 4.640 -0.001 0.000 0.250 204 D C -0.233 176.054 176.300 -0.021 0.000 1.113 204 D CA -0.354 53.650 54.000 0.005 0.000 0.871 204 D CB 0.949 41.767 40.800 0.029 0.000 1.167 204 D HN 0.233 nan 8.370 nan 0.000 0.447 205 L N 4.260 125.466 121.223 -0.029 0.000 2.268 205 L HA 0.385 4.724 4.340 -0.001 0.000 0.289 205 L C -0.953 175.874 176.870 -0.072 0.000 1.064 205 L CA -0.129 54.682 54.840 -0.048 0.000 0.824 205 L CB -0.012 42.025 42.059 -0.037 0.000 1.202 205 L HN 0.274 nan 8.230 nan 0.000 0.433 206 I N 5.969 126.466 120.570 -0.122 0.000 2.385 206 I HA 0.374 4.544 4.170 -0.001 0.000 0.294 206 I C -0.290 175.741 176.117 -0.143 0.000 0.988 206 I CA -0.199 60.997 61.300 -0.173 0.000 1.265 206 I CB 1.342 39.113 38.000 -0.382 0.000 1.388 206 I HN 0.474 nan 8.210 nan 0.000 0.480 207 I N 6.415 126.909 120.570 -0.126 0.000 2.439 207 I HA 0.295 4.464 4.170 -0.001 0.000 0.285 207 I C -0.881 175.164 176.117 -0.120 0.000 1.021 207 I CA -0.563 60.678 61.300 -0.099 0.000 1.091 207 I CB 1.815 39.765 38.000 -0.083 0.000 1.242 207 I HN 0.193 nan 8.210 nan 0.000 0.439 208 V N 6.197 126.076 119.914 -0.057 0.000 2.328 208 V HA 0.679 4.798 4.120 -0.001 0.000 0.278 208 V C 0.312 176.406 176.094 -0.000 0.000 1.021 208 V CA -0.470 61.807 62.300 -0.038 0.000 0.838 208 V CB 1.165 33.035 31.823 0.077 0.000 0.999 208 V HN 0.756 nan 8.190 nan 0.000 0.447 209 A N 4.251 127.072 122.820 0.003 0.000 2.324 209 A HA 1.024 5.343 4.320 -0.001 0.000 0.330 209 A C -0.061 177.624 177.584 0.168 0.000 1.165 209 A CA -0.100 52.011 52.037 0.124 0.000 0.813 209 A CB 1.589 20.737 19.000 0.246 0.000 1.197 209 A HN 1.545 nan 8.150 nan 0.000 0.484 210 A N 1.891 124.763 122.820 0.086 0.000 2.605 210 A HA 0.658 4.978 4.320 -0.001 0.000 0.294 210 A C -0.358 177.217 177.584 -0.014 0.000 1.062 210 A CA -0.800 51.262 52.037 0.040 0.000 0.682 210 A CB 0.826 19.823 19.000 -0.005 0.000 1.278 210 A HN 0.873 nan 8.150 nan 0.000 0.410 211 R N 0.731 121.217 120.500 -0.023 0.000 2.774 211 R HA 0.358 4.698 4.340 -0.001 0.000 0.269 211 R C -2.351 173.908 176.300 -0.070 0.000 1.068 211 R CA -1.109 54.962 56.100 -0.048 0.000 1.180 211 R CB -0.104 30.174 30.300 -0.035 0.000 1.077 211 R HN 0.429 nan 8.270 nan 0.000 0.513 212 P HA -0.023 nan 4.420 nan 0.000 0.266 212 P C -0.258 177.002 177.300 -0.068 0.000 1.195 212 P CA 0.542 63.591 63.100 -0.085 0.000 0.768 212 P CB 0.771 32.426 31.700 -0.076 0.000 0.838 213 S N -0.684 114.978 115.700 -0.063 0.000 2.857 213 S HA -0.162 4.308 4.470 -0.001 0.000 0.268 213 S C 1.177 175.713 174.600 -0.107 0.000 1.297 213 S CA 1.032 59.192 58.200 -0.066 0.000 1.280 213 S CB -1.850 61.317 63.200 -0.055 0.000 1.562 213 S HN 0.326 nan 8.310 nan 0.000 0.661 214 V N 0.245 120.094 119.914 -0.107 0.000 2.379 214 V HA 0.235 4.354 4.120 -0.001 0.000 0.245 214 V C 1.909 177.888 176.094 -0.191 0.000 1.044 214 V CA 1.914 64.130 62.300 -0.141 0.000 1.036 214 V CB -0.492 31.273 31.823 -0.095 0.000 0.664 214 V HN 1.356 nan 8.190 nan 0.000 0.453 215 G N 0.408 109.144 108.800 -0.105 0.000 2.189 215 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.113 215 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.113 215 G C 0.663 175.665 174.900 0.169 0.000 1.038 215 G CA 0.334 45.413 45.100 -0.034 0.000 0.704 215 G HN 0.528 nan 8.290 nan 0.000 0.490 216 K N -0.775 119.681 120.400 0.092 0.000 2.097 216 K HA -0.053 4.266 4.320 -0.001 0.000 0.205 216 K C 2.107 178.843 176.600 0.228 0.000 1.050 216 K CA 1.958 58.323 56.287 0.131 0.000 0.938 216 K CB -0.558 31.981 32.500 0.064 0.000 0.718 216 K HN 0.191 nan 8.250 nan 0.000 0.442 217 T N 1.367 116.037 114.554 0.193 0.000 2.708 217 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 217 T C 2.247 177.103 174.700 0.259 0.000 1.037 217 T CA 1.442 63.664 62.100 0.203 0.000 1.146 217 T CB -0.431 68.539 68.868 0.169 0.000 0.865 217 T HN 0.463 nan 8.240 nan 0.000 0.435 218 A N 1.211 124.236 122.820 0.343 0.000 1.902 218 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 218 A C 2.034 179.974 177.584 0.594 0.000 1.181 218 A CA 1.416 53.739 52.037 0.477 0.000 0.623 218 A CB -1.042 18.326 19.000 0.613 0.000 0.818 218 A HN 0.446 nan 8.150 nan 0.000 0.443 219 F N 1.074 121.263 119.950 0.398 0.000 2.095 219 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 219 F C 2.550 178.412 175.800 0.105 0.000 1.104 219 F CA 1.301 59.286 58.000 -0.025 0.000 1.232 219 F CB -0.611 38.136 39.000 -0.421 0.000 0.987 219 F HN 0.253 nan 8.300 nan 0.000 0.475 220 A N 0.792 123.680 122.820 0.112 0.000 1.883 220 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 220 A C 2.365 179.966 177.584 0.028 0.000 1.186 220 A CA 1.944 53.993 52.037 0.021 0.000 0.624 220 A CB -1.264 17.801 19.000 0.108 0.000 0.822 220 A HN 0.512 nan 8.150 nan 0.000 0.444 221 L N -0.461 120.828 121.223 0.109 0.000 2.012 221 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 221 L C 2.410 179.338 176.870 0.096 0.000 1.073 221 L CA 1.881 56.783 54.840 0.105 0.000 0.748 221 L CB -0.888 41.256 42.059 0.141 0.000 0.891 221 L HN 0.542 nan 8.230 nan 0.000 0.431 222 N N 0.222 119.022 118.700 0.166 0.000 2.104 222 N HA -0.198 4.541 4.740 -0.001 0.000 0.190 222 N C 1.916 177.455 175.510 0.047 0.000 1.024 222 N CA 1.221 54.386 53.050 0.191 0.000 0.853 222 N CB -0.130 38.646 38.487 0.482 0.000 1.008 222 N HN 0.307 nan 8.380 nan 0.000 0.424 223 I N 1.306 121.876 120.570 0.001 0.000 2.202 223 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 223 I C 2.593 178.693 176.117 -0.030 0.000 1.091 223 I CA 0.777 62.049 61.300 -0.046 0.000 1.368 223 I CB -0.414 37.559 38.000 -0.046 0.000 1.058 223 I HN 0.113 nan 8.210 nan 0.000 0.410 224 A N 0.004 122.818 122.820 -0.010 0.000 1.940 224 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 224 A C 2.319 179.892 177.584 -0.018 0.000 1.176 224 A CA 1.968 54.003 52.037 -0.003 0.000 0.631 224 A CB -0.678 18.326 19.000 0.006 0.000 0.814 224 A HN 0.516 nan 8.150 nan 0.000 0.446 225 Q N -0.555 119.233 119.800 -0.020 0.000 2.049 225 Q HA -0.155 4.184 4.340 -0.001 0.000 0.198 225 Q C 1.923 177.887 176.000 -0.061 0.000 0.971 225 Q CA 1.610 57.393 55.803 -0.032 0.000 0.833 225 Q CB -0.147 28.584 28.738 -0.012 0.000 0.896 225 Q HN 0.830 nan 8.270 nan 0.000 0.434 226 N N -0.813 117.830 118.700 -0.095 0.000 2.166 226 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 226 N C 1.712 177.159 175.510 -0.105 0.000 1.019 226 N CA 1.370 54.334 53.050 -0.143 0.000 0.856 226 N CB 0.096 38.418 38.487 -0.276 0.000 0.993 226 N HN 0.017 nan 8.380 nan 0.000 0.426 227 V N 0.993 120.863 119.914 -0.074 0.000 2.295 227 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 227 V C 2.280 178.353 176.094 -0.034 0.000 1.049 227 V CA 2.000 64.275 62.300 -0.042 0.000 1.024 227 V CB -0.867 30.953 31.823 -0.006 0.000 0.648 227 V HN 0.374 nan 8.190 nan 0.000 0.447 228 A N 0.549 123.348 122.820 -0.034 0.000 1.929 228 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 228 A C 2.473 180.031 177.584 -0.043 0.000 1.176 228 A CA 2.341 54.357 52.037 -0.034 0.000 0.628 228 A CB -0.803 18.172 19.000 -0.042 0.000 0.816 228 A HN 0.638 nan 8.150 nan 0.000 0.444 229 T N -2.213 112.310 114.554 -0.052 0.000 2.852 229 T HA 0.005 4.354 4.350 -0.001 0.000 0.256 229 T C 1.885 176.555 174.700 -0.050 0.000 1.038 229 T CA 1.300 63.369 62.100 -0.053 0.000 1.141 229 T CB -0.193 68.640 68.868 -0.057 0.000 0.869 229 T HN 0.443 nan 8.240 nan 0.000 0.439 230 K N 0.584 120.950 120.400 -0.058 0.000 1.991 230 K HA 0.108 4.428 4.320 -0.001 0.000 0.207 230 K C 1.488 178.062 176.600 -0.044 0.000 1.045 230 K CA 0.967 57.220 56.287 -0.056 0.000 0.937 230 K CB -0.324 32.131 32.500 -0.074 0.000 0.720 230 K HN 0.276 nan 8.250 nan 0.000 0.438 231 T N -0.023 114.507 114.554 -0.040 0.000 2.902 231 T HA 0.096 4.446 4.350 -0.001 0.000 0.280 231 T C 0.487 175.176 174.700 -0.018 0.000 0.992 231 T CA -0.572 61.512 62.100 -0.028 0.000 1.015 231 T CB 1.011 69.864 68.868 -0.024 0.000 1.044 231 T HN -0.009 nan 8.240 nan 0.000 0.520 232 N N 1.402 120.096 118.700 -0.011 0.000 2.515 232 N HA 0.074 4.814 4.740 -0.001 0.000 0.191 232 N C -0.008 175.507 175.510 0.008 0.000 1.182 232 N CA 0.113 53.161 53.050 -0.003 0.000 0.879 232 N CB -0.015 38.471 38.487 -0.002 0.000 0.984 232 N HN 0.508 nan 8.380 nan 0.000 0.453 233 E N -0.226 119.980 120.200 0.009 0.000 2.318 233 E HA 0.269 4.618 4.350 -0.001 0.000 0.265 233 E C -0.700 175.924 176.600 0.039 0.000 1.069 233 E CA -0.449 55.965 56.400 0.023 0.000 0.893 233 E CB 0.469 30.181 29.700 0.021 0.000 1.076 233 E HN 0.112 nan 8.360 nan 0.000 0.414 234 N N 0.695 119.434 118.700 0.065 0.000 2.443 234 N HA 0.349 5.089 4.740 -0.001 0.000 0.295 234 N C -1.344 174.227 175.510 0.102 0.000 1.076 234 N CA -0.442 52.679 53.050 0.119 0.000 0.919 234 N CB 1.677 40.285 38.487 0.202 0.000 1.176 234 N HN 0.088 nan 8.380 nan 0.000 0.487 235 V N 0.512 120.493 119.914 0.112 0.000 2.495 235 V HA 0.709 4.828 4.120 -0.001 0.000 0.298 235 V C -0.078 176.068 176.094 0.087 0.000 1.031 235 V CA -1.125 61.218 62.300 0.072 0.000 0.871 235 V CB 1.420 33.261 31.823 0.031 0.000 0.988 235 V HN 0.750 nan 8.190 nan 0.000 0.432 236 A N 6.364 129.205 122.820 0.035 0.000 2.258 236 A HA 0.849 5.168 4.320 -0.001 0.000 0.316 236 A C -0.574 176.913 177.584 -0.162 0.000 1.279 236 A CA -0.381 51.614 52.037 -0.070 0.000 0.876 236 A CB 0.157 19.110 19.000 -0.079 0.000 1.170 236 A HN 0.790 nan 8.150 nan 0.000 0.520 237 I N 1.955 122.373 120.570 -0.253 0.000 2.378 237 I HA 0.369 4.538 4.170 -0.001 0.000 0.291 237 I C -1.182 174.719 176.117 -0.361 0.000 0.992 237 I CA -0.314 60.879 61.300 -0.178 0.000 1.154 237 I CB 1.549 39.509 38.000 -0.066 0.000 1.315 237 I HN 0.551 nan 8.210 nan 0.000 0.448 238 F N 4.217 124.181 119.950 0.022 0.000 2.311 238 F HA 0.271 4.798 4.527 -0.001 0.000 0.371 238 F C 0.681 176.486 175.800 0.009 0.000 1.083 238 F CA -0.431 57.575 58.000 0.011 0.000 1.113 238 F CB 1.431 40.429 39.000 -0.003 0.000 1.349 238 F HN 0.323 nan 8.300 nan 0.000 0.470 239 S N 4.509 120.283 115.700 0.123 0.000 2.404 239 S HA 0.411 4.881 4.470 -0.001 0.000 0.309 239 S C 1.016 175.659 174.600 0.072 0.000 1.076 239 S CA -0.579 57.676 58.200 0.093 0.000 1.095 239 S CB 0.238 63.478 63.200 0.067 0.000 0.972 239 S HN 0.668 nan 8.310 nan 0.000 0.484 240 L N 3.627 124.872 121.223 0.038 0.000 2.307 240 L HA 0.210 4.550 4.340 -0.001 0.000 0.211 240 L C 2.343 179.201 176.870 -0.020 0.000 1.099 240 L CA 0.543 55.376 54.840 -0.012 0.000 0.816 240 L CB -0.194 41.810 42.059 -0.092 0.000 0.952 240 L HN 0.599 nan 8.230 nan 0.000 0.455 241 E N 0.037 120.241 120.200 0.006 0.000 2.166 241 E HA 0.026 4.375 4.350 -0.001 0.000 0.192 241 E C 0.898 177.540 176.600 0.070 0.000 0.967 241 E CA 0.094 56.529 56.400 0.058 0.000 0.840 241 E CB 0.552 30.353 29.700 0.169 0.000 0.795 241 E HN 0.175 nan 8.360 nan 0.000 0.470 242 M N 1.012 120.655 119.600 0.071 0.000 2.508 242 M HA 0.241 4.720 4.480 -0.001 0.000 0.327 242 M C -0.335 175.994 176.300 0.047 0.000 1.160 242 M CA -0.613 54.726 55.300 0.064 0.000 0.980 242 M CB 1.699 34.345 32.600 0.078 0.000 1.693 242 M HN 0.007 nan 8.290 nan 0.000 0.452 243 S N 2.745 118.468 115.700 0.038 0.000 2.624 243 S HA 0.468 4.938 4.470 -0.001 0.000 0.263 243 S C 0.910 175.523 174.600 0.022 0.000 1.287 243 S CA -0.137 58.080 58.200 0.028 0.000 0.990 243 S CB 1.218 64.432 63.200 0.023 0.000 0.950 243 S HN 0.831 nan 8.310 nan 0.000 0.561 244 A N 0.765 123.592 122.820 0.013 0.000 1.902 244 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 244 A C 2.353 179.936 177.584 -0.001 0.000 1.181 244 A CA 1.502 53.540 52.037 0.002 0.000 0.623 244 A CB -1.027 17.969 19.000 -0.006 0.000 0.818 244 A HN 0.908 nan 8.150 nan 0.000 0.443 245 Q N -1.112 118.688 119.800 0.001 0.000 2.020 245 Q HA -0.203 4.137 4.340 -0.001 0.000 0.198 245 Q C 2.301 178.303 176.000 0.003 0.000 0.974 245 Q CA 1.405 57.206 55.803 -0.003 0.000 0.829 245 Q CB -0.239 28.498 28.738 -0.002 0.000 0.894 245 Q HN 0.819 nan 8.270 nan 0.000 0.433 246 Q N 0.606 120.414 119.800 0.012 0.000 2.376 246 Q HA -0.186 4.154 4.340 -0.001 0.000 0.211 246 Q C 1.845 177.862 176.000 0.028 0.000 0.986 246 Q CA 0.782 56.597 55.803 0.021 0.000 0.886 246 Q CB 0.066 28.821 28.738 0.028 0.000 0.927 246 Q HN 0.339 nan 8.270 nan 0.000 0.457 247 L N -1.314 119.924 121.223 0.025 0.000 2.200 247 L HA -0.040 4.299 4.340 -0.001 0.000 0.200 247 L C 2.056 178.937 176.870 0.020 0.000 1.072 247 L CA 0.381 55.240 54.840 0.032 0.000 0.787 247 L CB -0.007 42.070 42.059 0.030 0.000 0.957 247 L HN -0.013 nan 8.230 nan 0.000 0.459 248 V N 0.221 120.135 119.914 0.002 0.000 2.287 248 V HA -0.348 3.771 4.120 -0.001 0.000 0.248 248 V C 2.671 178.758 176.094 -0.011 0.000 1.053 248 V CA 2.101 64.393 62.300 -0.013 0.000 1.027 248 V CB -0.528 31.279 31.823 -0.028 0.000 0.646 248 V HN 0.423 nan 8.190 nan 0.000 0.447 249 M N -0.631 118.964 119.600 -0.008 0.000 2.116 249 M HA -0.253 4.227 4.480 -0.001 0.000 0.255 249 M C 2.371 178.675 176.300 0.006 0.000 1.075 249 M CA 2.031 57.326 55.300 -0.009 0.000 1.087 249 M CB -0.975 31.623 32.600 -0.002 0.000 1.340 249 M HN 0.376 nan 8.290 nan 0.000 0.402 250 R N 0.291 120.806 120.500 0.025 0.000 2.075 250 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 250 R C 2.111 178.440 176.300 0.047 0.000 1.126 250 R CA 1.708 57.836 56.100 0.047 0.000 0.963 250 R CB -0.563 29.781 30.300 0.073 0.000 0.858 250 R HN 0.555 nan 8.270 nan 0.000 0.435 251 M N -0.366 119.255 119.600 0.035 0.000 2.562 251 M HA 0.068 4.548 4.480 -0.001 0.000 0.257 251 M C 1.731 178.030 176.300 -0.001 0.000 1.099 251 M CA 1.346 56.661 55.300 0.025 0.000 1.099 251 M CB -0.144 32.467 32.600 0.018 0.000 1.427 251 M HN 0.001 nan 8.290 nan 0.000 0.489 252 L N 0.091 121.307 121.223 -0.012 0.000 2.131 252 L HA -0.089 4.250 4.340 -0.001 0.000 0.206 252 L C 2.491 179.348 176.870 -0.021 0.000 1.087 252 L CA 0.746 55.566 54.840 -0.033 0.000 0.767 252 L CB -0.362 41.666 42.059 -0.053 0.000 0.917 252 L HN 0.522 nan 8.230 nan 0.000 0.441 253 C N -0.335 118.969 119.300 0.006 0.000 2.429 253 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 253 C C 3.021 178.045 174.990 0.057 0.000 1.262 253 C CA 0.835 59.880 59.018 0.044 0.000 1.733 253 C CB -1.014 26.760 27.740 0.058 0.000 2.010 253 C HN 0.605 nan 8.230 nan 0.000 0.483 254 A N 0.072 122.917 122.820 0.041 0.000 2.016 254 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 254 A C 1.964 179.534 177.584 -0.023 0.000 1.162 254 A CA 1.778 53.833 52.037 0.030 0.000 0.662 254 A CB -0.368 18.669 19.000 0.063 0.000 0.812 254 A HN 0.594 nan 8.150 nan 0.000 0.450 255 E N 0.178 120.360 120.200 -0.031 0.000 2.005 255 E HA 0.026 4.375 4.350 -0.001 0.000 0.191 255 E C 1.751 178.302 176.600 -0.081 0.000 0.987 255 E CA 1.540 57.908 56.400 -0.052 0.000 0.814 255 E CB -0.669 29.003 29.700 -0.048 0.000 0.772 255 E HN 0.287 nan 8.360 nan 0.000 0.453 256 G N -0.539 108.213 108.800 -0.080 0.000 3.314 256 G HA2 0.004 3.964 3.960 -0.001 0.000 0.238 256 G HA3 0.004 3.964 3.960 -0.001 0.000 0.238 256 G C -0.354 174.471 174.900 -0.125 0.000 1.184 256 G CA 0.117 45.162 45.100 -0.092 0.000 0.806 256 G HN 0.281 nan 8.290 nan 0.000 0.536 257 N N -0.211 118.374 118.700 -0.191 0.000 2.708 257 N HA -0.143 4.597 4.740 -0.001 0.000 0.255 257 N C -0.343 175.154 175.510 -0.021 0.000 1.046 257 N CA 0.798 53.611 53.050 -0.396 0.000 0.715 257 N CB -1.250 36.855 38.487 -0.637 0.000 0.895 257 N HN 0.456 nan 8.380 nan 0.000 0.545 258 I N 0.114 120.770 120.570 0.144 0.000 2.377 258 I HA 0.166 4.336 4.170 -0.001 0.000 0.293 258 I C 0.899 177.150 176.117 0.224 0.000 0.987 258 I CA -0.881 60.521 61.300 0.169 0.000 1.185 258 I CB 1.259 39.284 38.000 0.041 0.000 1.341 258 I HN -0.006 nan 8.210 nan 0.000 0.455 259 N N 4.620 123.400 118.700 0.133 0.000 2.417 259 N HA 0.034 4.773 4.740 -0.001 0.000 0.272 259 N C 0.934 176.422 175.510 -0.036 0.000 1.304 259 N CA 0.513 53.531 53.050 -0.052 0.000 0.906 259 N CB 1.157 39.597 38.487 -0.078 0.000 1.135 259 N HN 0.786 nan 8.380 nan 0.000 0.483 260 A N 4.060 126.843 122.820 -0.062 0.000 1.873 260 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 260 A C 1.847 179.417 177.584 -0.024 0.000 1.193 260 A CA 1.731 53.751 52.037 -0.028 0.000 0.629 260 A CB -0.789 18.194 19.000 -0.029 0.000 0.826 260 A HN 0.855 nan 8.150 nan 0.000 0.447 261 Q N -0.558 119.218 119.800 -0.039 0.000 2.364 261 Q HA -0.187 4.153 4.340 -0.001 0.000 0.209 261 Q C 1.937 177.930 176.000 -0.012 0.000 0.977 261 Q CA 1.230 57.019 55.803 -0.024 0.000 0.885 261 Q CB -0.170 28.548 28.738 -0.033 0.000 0.941 261 Q HN 0.758 nan 8.270 nan 0.000 0.464 262 N N 0.317 119.010 118.700 -0.013 0.000 2.171 262 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 262 N C 1.741 177.263 175.510 0.020 0.000 1.021 262 N CA 0.861 53.916 53.050 0.009 0.000 0.854 262 N CB -0.112 38.383 38.487 0.014 0.000 0.994 262 N HN 0.302 nan 8.380 nan 0.000 0.426 263 L N 0.783 122.011 121.223 0.008 0.000 2.005 263 L HA -0.050 4.290 4.340 -0.001 0.000 0.207 263 L C 2.745 179.622 176.870 0.010 0.000 1.072 263 L CA 0.857 55.699 54.840 0.003 0.000 0.744 263 L CB -0.360 41.687 42.059 -0.019 0.000 0.895 263 L HN 0.123 nan 8.230 nan 0.000 0.433 264 R N -0.497 120.007 120.500 0.007 0.000 2.112 264 R HA -0.173 4.167 4.340 -0.001 0.000 0.242 264 R C 1.967 178.277 176.300 0.016 0.000 1.137 264 R CA 2.141 58.248 56.100 0.011 0.000 0.944 264 R CB -0.745 29.559 30.300 0.008 0.000 0.857 264 R HN 0.342 nan 8.270 nan 0.000 0.435 265 T N -0.396 114.168 114.554 0.017 0.000 3.081 265 T HA 0.115 4.464 4.350 -0.001 0.000 0.250 265 T C 0.784 175.503 174.700 0.032 0.000 1.100 265 T CA 0.380 62.492 62.100 0.020 0.000 1.038 265 T CB 0.349 69.225 68.868 0.014 0.000 0.962 265 T HN 0.515 nan 8.240 nan 0.000 0.516 266 G N 3.501 112.326 108.800 0.041 0.000 2.787 266 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.343 266 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.343 266 G C -0.148 174.796 174.900 0.074 0.000 0.149 266 G CA 0.527 45.668 45.100 0.068 0.000 1.222 266 G HN 0.577 nan 8.290 nan 0.000 0.477 267 K N -0.483 119.960 120.400 0.072 0.000 5.226 267 K HA -0.100 4.220 4.320 -0.001 0.000 0.572 267 K C -0.194 176.480 176.600 0.124 0.000 2.579 267 K CA 0.592 56.925 56.287 0.075 0.000 2.030 267 K CB -0.394 32.135 32.500 0.049 0.000 2.527 267 K HN 1.221 nan 8.250 nan 0.000 0.150 268 L N 0.711 122.010 121.223 0.127 0.000 5.535 268 L HA -0.046 4.293 4.340 -0.001 0.000 0.238 268 L C -0.726 176.247 176.870 0.171 0.000 1.179 268 L CA -0.373 54.579 54.840 0.187 0.000 0.842 268 L CB 0.997 43.274 42.059 0.364 0.000 1.542 268 L HN 0.771 nan 8.230 nan 0.000 0.313 269 T N 4.615 119.250 114.554 0.135 0.000 2.888 269 T HA 0.130 4.480 4.350 -0.001 0.000 0.301 269 T C -1.516 173.273 174.700 0.148 0.000 1.001 269 T CA -0.971 61.193 62.100 0.106 0.000 1.147 269 T CB 0.830 69.745 68.868 0.080 0.000 0.931 269 T HN 0.404 nan 8.240 nan 0.000 0.541 270 P HA -0.186 nan 4.420 nan 0.000 0.218 270 P C 1.046 178.435 177.300 0.148 0.000 1.152 270 P CA 1.312 64.461 63.100 0.082 0.000 0.857 270 P CB 0.353 32.057 31.700 0.008 0.000 0.787 271 E N -1.630 118.638 120.200 0.114 0.000 2.400 271 E HA -0.067 4.282 4.350 -0.001 0.000 0.195 271 E C 1.530 178.195 176.600 0.109 0.000 1.012 271 E CA 0.093 56.553 56.400 0.101 0.000 0.875 271 E CB -0.260 29.476 29.700 0.061 0.000 0.859 271 E HN 0.059 nan 8.360 nan 0.000 0.498 272 D N -0.435 120.040 120.400 0.124 0.000 2.224 272 D HA -0.143 4.496 4.640 -0.001 0.000 0.205 272 D C 1.138 177.511 176.300 0.122 0.000 0.965 272 D CA 0.608 54.672 54.000 0.106 0.000 0.852 272 D CB 0.026 40.891 40.800 0.108 0.000 0.947 272 D HN 0.288 nan 8.370 nan 0.000 0.494 273 W N 1.066 122.370 121.300 0.008 0.000 2.409 273 W HA -0.004 4.655 4.660 -0.001 0.000 0.299 273 W C 1.923 178.442 176.519 0.001 0.000 1.203 273 W CA 1.551 58.899 57.345 0.005 0.000 1.298 273 W CB -0.530 28.932 29.460 0.003 0.000 1.127 273 W HN 0.036 nan 8.180 nan 0.000 0.528 274 G N 0.675 109.628 108.800 0.255 0.000 2.422 274 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.218 274 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.218 274 G C 1.609 176.535 174.900 0.042 0.000 1.140 274 G CA 0.875 46.062 45.100 0.146 0.000 0.775 274 G HN 0.230 nan 8.290 nan 0.000 0.545 275 K N -0.494 119.922 120.400 0.026 0.000 2.147 275 K HA -0.027 4.293 4.320 -0.001 0.000 0.205 275 K C 2.329 178.894 176.600 -0.059 0.000 1.049 275 K CA 0.903 57.181 56.287 -0.015 0.000 0.936 275 K CB -0.166 32.330 32.500 -0.006 0.000 0.722 275 K HN 0.320 nan 8.250 nan 0.000 0.446 276 L N 0.703 121.859 121.223 -0.112 0.000 2.109 276 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 276 L C 2.112 178.889 176.870 -0.156 0.000 1.086 276 L CA 2.123 56.852 54.840 -0.185 0.000 0.760 276 L CB -0.800 41.037 42.059 -0.370 0.000 0.910 276 L HN 0.249 nan 8.230 nan 0.000 0.437 277 T N -2.685 111.797 114.554 -0.120 0.000 2.777 277 T HA -0.214 4.135 4.350 -0.001 0.000 0.266 277 T C 1.846 176.516 174.700 -0.049 0.000 1.040 277 T CA 1.788 63.847 62.100 -0.068 0.000 1.141 277 T CB -0.613 68.252 68.868 -0.004 0.000 0.868 277 T HN 0.401 nan 8.240 nan 0.000 0.444 278 M N 1.218 120.794 119.600 -0.041 0.000 2.296 278 M HA 0.170 4.650 4.480 -0.001 0.000 0.265 278 M C 2.934 179.204 176.300 -0.050 0.000 1.064 278 M CA 1.308 56.586 55.300 -0.037 0.000 1.109 278 M CB -0.648 31.934 32.600 -0.030 0.000 1.396 278 M HN 0.452 nan 8.290 nan 0.000 0.430 279 A N 1.038 123.820 122.820 -0.063 0.000 1.845 279 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 279 A C 2.191 179.735 177.584 -0.066 0.000 1.195 279 A CA 1.582 53.578 52.037 -0.067 0.000 0.616 279 A CB -0.660 18.294 19.000 -0.077 0.000 0.832 279 A HN 0.421 nan 8.150 nan 0.000 0.443 280 M N -0.426 119.129 119.600 -0.075 0.000 2.106 280 M HA -0.168 4.311 4.480 -0.001 0.000 0.259 280 M C 2.262 178.528 176.300 -0.057 0.000 1.068 280 M CA 1.517 56.775 55.300 -0.070 0.000 1.100 280 M CB -0.707 31.847 32.600 -0.077 0.000 1.351 280 M HN 0.562 nan 8.290 nan 0.000 0.404 281 G N 0.209 108.980 108.800 -0.049 0.000 2.453 281 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.215 281 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.215 281 G C 1.559 176.433 174.900 -0.044 0.000 1.201 281 G CA 1.327 46.403 45.100 -0.041 0.000 0.784 281 G HN 0.570 nan 8.290 nan 0.000 0.545 282 S N 0.338 116.011 115.700 -0.045 0.000 2.419 282 S HA -0.031 4.439 4.470 -0.001 0.000 0.235 282 S C 2.149 176.718 174.600 -0.052 0.000 1.019 282 S CA 1.207 59.380 58.200 -0.046 0.000 0.982 282 S CB -0.235 62.937 63.200 -0.047 0.000 0.789 282 S HN 0.141 nan 8.310 nan 0.000 0.490 283 L N 1.585 122.774 121.223 -0.057 0.000 2.341 283 L HA 0.236 4.576 4.340 -0.001 0.000 0.214 283 L C 2.315 179.142 176.870 -0.072 0.000 1.115 283 L CA 0.916 55.718 54.840 -0.064 0.000 0.820 283 L CB -0.677 41.344 42.059 -0.063 0.000 0.944 283 L HN 0.217 nan 8.230 nan 0.000 0.452 284 S N 0.001 115.662 115.700 -0.065 0.000 2.402 284 S HA -0.079 4.390 4.470 -0.001 0.000 0.229 284 S C 1.513 176.071 174.600 -0.070 0.000 1.021 284 S CA 1.080 59.239 58.200 -0.068 0.000 0.974 284 S CB -0.312 62.856 63.200 -0.053 0.000 0.800 284 S HN 0.543 nan 8.310 nan 0.000 0.484 285 N N 1.732 120.396 118.700 -0.060 0.000 2.463 285 N HA 0.176 4.916 4.740 -0.001 0.000 0.181 285 N C 0.433 175.905 175.510 -0.062 0.000 1.078 285 N CA 0.253 53.271 53.050 -0.053 0.000 0.902 285 N CB -0.328 38.134 38.487 -0.041 0.000 0.970 285 N HN 0.341 nan 8.380 nan 0.000 0.451 286 A N 0.310 123.084 122.820 -0.077 0.000 2.407 286 A HA 0.528 4.847 4.320 -0.001 0.000 0.248 286 A C 1.023 178.530 177.584 -0.128 0.000 1.082 286 A CA -0.036 51.950 52.037 -0.085 0.000 0.785 286 A CB 0.116 19.064 19.000 -0.086 0.000 1.020 286 A HN 0.196 nan 8.150 nan 0.000 0.489 287 G N 1.545 110.280 108.800 -0.107 0.000 3.714 287 G HA2 0.481 4.440 3.960 -0.001 0.000 0.276 287 G HA3 0.481 4.440 3.960 -0.001 0.000 0.276 287 G C -0.219 174.548 174.900 -0.222 0.000 1.058 287 G CA -0.263 44.743 45.100 -0.156 0.000 1.700 287 G HN 0.593 nan 8.290 nan 0.000 0.605 288 I N 1.142 121.500 120.570 -0.353 0.000 2.336 288 I HA 0.318 4.487 4.170 -0.001 0.000 0.292 288 I C -0.814 175.009 176.117 -0.491 0.000 0.991 288 I CA -0.840 60.296 61.300 -0.274 0.000 1.227 288 I CB 1.330 39.230 38.000 -0.167 0.000 1.366 288 I HN 0.233 nan 8.210 nan 0.000 0.466 289 Y N 6.678 126.925 120.300 -0.088 0.000 2.328 289 Y HA 0.560 5.109 4.550 -0.001 0.000 0.336 289 Y C -0.039 175.757 175.900 -0.173 0.000 0.960 289 Y CA -0.617 57.415 58.100 -0.114 0.000 1.134 289 Y CB 1.389 39.780 38.460 -0.114 0.000 1.166 289 Y HN 0.339 nan 8.280 nan 0.000 0.464 290 I N 3.007 123.552 120.570 -0.042 0.000 2.493 290 I HA 0.338 4.507 4.170 -0.001 0.000 0.298 290 I C -0.908 175.138 176.117 -0.118 0.000 0.998 290 I CA -0.679 60.556 61.300 -0.109 0.000 1.137 290 I CB 1.840 39.798 38.000 -0.069 0.000 1.310 290 I HN 0.499 nan 8.210 nan 0.000 0.445 291 D N 4.679 124.968 120.400 -0.185 0.000 2.473 291 D HA 0.162 4.801 4.640 -0.001 0.000 0.253 291 D C -0.545 175.765 176.300 0.017 0.000 1.233 291 D CA -0.517 53.435 54.000 -0.081 0.000 0.908 291 D CB 0.991 41.734 40.800 -0.095 0.000 1.170 291 D HN 0.515 nan 8.370 nan 0.000 0.558 292 D N 2.186 122.602 120.400 0.026 0.000 2.706 292 D HA 0.041 4.681 4.640 -0.001 0.000 0.236 292 D C -0.397 175.932 176.300 0.048 0.000 1.231 292 D CA -0.341 53.683 54.000 0.041 0.000 0.828 292 D CB -0.413 40.402 40.800 0.024 0.000 1.015 292 D HN 0.097 nan 8.370 nan 0.000 0.484 293 T N 2.964 117.560 114.554 0.069 0.000 2.799 293 T HA 0.096 4.445 4.350 -0.001 0.000 0.296 293 T C -1.201 173.521 174.700 0.037 0.000 0.947 293 T CA -0.944 61.189 62.100 0.054 0.000 1.141 293 T CB 1.539 70.446 68.868 0.065 0.000 0.891 293 T HN 0.045 nan 8.240 nan 0.000 0.533 294 P HA -0.148 nan 4.420 nan 0.000 0.219 294 P C 0.395 177.684 177.300 -0.018 0.000 1.161 294 P CA 1.317 64.418 63.100 0.003 0.000 0.909 294 P CB 0.085 31.787 31.700 0.004 0.000 0.793 295 S N -1.626 114.064 115.700 -0.017 0.000 2.673 295 S HA 0.537 5.006 4.470 -0.001 0.000 0.256 295 S C -0.393 174.188 174.600 -0.032 0.000 1.141 295 S CA -0.938 57.239 58.200 -0.038 0.000 1.109 295 S CB -0.192 62.984 63.200 -0.040 0.000 1.101 295 S HN -0.054 nan 8.310 nan 0.000 0.471 296 I N 2.866 123.411 120.570 -0.042 0.000 2.577 296 I HA 0.510 4.679 4.170 -0.001 0.000 0.300 296 I C 0.696 176.766 176.117 -0.077 0.000 0.990 296 I CA -1.170 60.100 61.300 -0.050 0.000 1.283 296 I CB 0.993 38.956 38.000 -0.061 0.000 1.411 296 I HN 0.486 nan 8.210 nan 0.000 0.515 297 R N 2.649 123.107 120.500 -0.071 0.000 2.532 297 R HA 0.337 4.676 4.340 -0.001 0.000 0.272 297 R C 0.801 177.036 176.300 -0.109 0.000 1.032 297 R CA -0.824 55.230 56.100 -0.076 0.000 1.089 297 R CB 0.883 31.152 30.300 -0.052 0.000 1.098 297 R HN 0.411 nan 8.270 nan 0.000 0.526 298 V N 0.848 120.697 119.914 -0.109 0.000 2.490 298 V HA -0.271 3.849 4.120 -0.001 0.000 0.250 298 V C 2.213 178.238 176.094 -0.116 0.000 1.061 298 V CA 2.305 64.523 62.300 -0.136 0.000 1.064 298 V CB -0.833 30.926 31.823 -0.107 0.000 0.670 298 V HN 0.948 nan 8.190 nan 0.000 0.461 299 S N 0.312 115.965 115.700 -0.079 0.000 2.382 299 S HA -0.236 4.234 4.470 -0.001 0.000 0.228 299 S C 1.623 176.190 174.600 -0.054 0.000 1.027 299 S CA 1.527 59.692 58.200 -0.058 0.000 0.991 299 S CB -0.502 62.674 63.200 -0.040 0.000 0.823 299 S HN 0.597 nan 8.310 nan 0.000 0.469 300 D N 1.911 122.276 120.400 -0.058 0.000 2.097 300 D HA 0.038 4.677 4.640 -0.001 0.000 0.197 300 D C 1.984 178.258 176.300 -0.042 0.000 0.984 300 D CA 0.975 54.955 54.000 -0.035 0.000 0.826 300 D CB -0.430 40.357 40.800 -0.022 0.000 0.973 300 D HN 0.406 nan 8.370 nan 0.000 0.460 301 I N 0.870 121.345 120.570 -0.158 0.000 2.118 301 I HA -0.293 3.876 4.170 -0.001 0.000 0.241 301 I C 2.680 178.732 176.117 -0.109 0.000 1.070 301 I CA 1.212 62.318 61.300 -0.323 0.000 1.327 301 I CB -0.147 37.441 38.000 -0.685 0.000 1.034 301 I HN -0.084 nan 8.210 nan 0.000 0.405 302 R N 0.434 120.874 120.500 -0.099 0.000 2.083 302 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 302 R C 2.412 178.708 176.300 -0.006 0.000 1.137 302 R CA 1.728 57.803 56.100 -0.042 0.000 0.951 302 R CB -0.501 29.770 30.300 -0.047 0.000 0.851 302 R HN 0.414 nan 8.270 nan 0.000 0.434 303 A N 1.098 123.914 122.820 -0.007 0.000 1.972 303 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 303 A C 1.891 179.487 177.584 0.020 0.000 1.169 303 A CA 1.390 53.428 52.037 0.003 0.000 0.635 303 A CB -0.201 18.798 19.000 -0.002 0.000 0.810 303 A HN 0.231 nan 8.150 nan 0.000 0.446 304 K N -0.965 119.467 120.400 0.054 0.000 2.031 304 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 304 K C 2.034 178.668 176.600 0.056 0.000 1.049 304 K CA 1.343 57.674 56.287 0.073 0.000 0.939 304 K CB -0.394 32.200 32.500 0.157 0.000 0.717 304 K HN 0.523 nan 8.250 nan 0.000 0.438 305 C N 0.711 120.074 119.300 0.104 0.000 2.422 305 C HA -0.037 4.423 4.460 -0.001 0.000 0.279 305 C C 2.618 177.614 174.990 0.010 0.000 1.305 305 C CA 0.420 59.479 59.018 0.068 0.000 1.757 305 C CB -0.764 27.045 27.740 0.115 0.000 1.962 305 C HN 0.434 nan 8.230 nan 0.000 0.499 306 R N 0.639 121.144 120.500 0.009 0.000 2.080 306 R HA -0.124 4.216 4.340 -0.001 0.000 0.236 306 R C 2.498 178.785 176.300 -0.021 0.000 1.137 306 R CA 1.532 57.628 56.100 -0.007 0.000 0.943 306 R CB -0.201 30.096 30.300 -0.006 0.000 0.846 306 R HN 0.541 nan 8.270 nan 0.000 0.431 307 R N 0.020 120.506 120.500 -0.024 0.000 2.096 307 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 307 R C 2.334 178.593 176.300 -0.068 0.000 1.127 307 R CA 1.165 57.241 56.100 -0.039 0.000 0.968 307 R CB -0.396 29.883 30.300 -0.034 0.000 0.861 307 R HN 0.168 nan 8.270 nan 0.000 0.440 308 L N 1.604 122.770 121.223 -0.095 0.000 2.056 308 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 308 L C 2.307 179.097 176.870 -0.134 0.000 1.078 308 L CA 1.798 56.535 54.840 -0.173 0.000 0.749 308 L CB -0.318 41.594 42.059 -0.243 0.000 0.901 308 L HN -0.002 nan 8.230 nan 0.000 0.433 309 K N -0.719 119.634 120.400 -0.079 0.000 2.057 309 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 309 K C 1.788 178.362 176.600 -0.042 0.000 1.049 309 K CA 1.809 58.066 56.287 -0.051 0.000 0.931 309 K CB -0.066 32.419 32.500 -0.026 0.000 0.714 309 K HN 0.499 nan 8.250 nan 0.000 0.440 310 Q N -0.569 119.207 119.800 -0.040 0.000 2.365 310 Q HA -0.023 4.316 4.340 -0.001 0.000 0.203 310 Q C 1.029 177.009 176.000 -0.033 0.000 0.929 310 Q CA 0.258 56.043 55.803 -0.030 0.000 0.948 310 Q CB 0.712 29.436 28.738 -0.023 0.000 1.043 310 Q HN 0.378 nan 8.270 nan 0.000 0.505 311 E N -1.212 118.958 120.200 -0.049 0.000 2.367 311 E HA 0.094 4.444 4.350 -0.001 0.000 0.204 311 E C 0.923 177.496 176.600 -0.044 0.000 0.840 311 E CA 0.406 56.778 56.400 -0.047 0.000 1.051 311 E CB 0.625 30.289 29.700 -0.061 0.000 1.051 311 E HN 0.061 nan 8.360 nan 0.000 0.509 312 S N -0.898 114.765 115.700 -0.063 0.000 2.653 312 S HA 0.367 4.836 4.470 -0.001 0.000 0.259 312 S C 0.030 174.619 174.600 -0.018 0.000 1.076 312 S CA 0.219 58.398 58.200 -0.035 0.000 1.051 312 S CB 2.017 65.192 63.200 -0.041 0.000 0.994 312 S HN 0.431 nan 8.310 nan 0.000 0.552 313 G N 1.693 110.471 108.800 -0.037 0.000 3.367 313 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.686 313 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.686 313 G C -1.200 173.692 174.900 -0.013 0.000 1.146 313 G CA -0.801 44.290 45.100 -0.016 0.000 0.913 313 G HN 0.322 nan 8.290 nan 0.000 0.554 314 L N 2.239 123.454 121.223 -0.012 0.000 2.334 314 L HA 0.860 5.200 4.340 -0.001 0.000 0.273 314 L C 1.236 178.116 176.870 0.017 0.000 1.013 314 L CA 0.212 55.052 54.840 -0.001 0.000 0.816 314 L CB 1.925 43.976 42.059 -0.013 0.000 1.278 314 L HN 0.943 nan 8.230 nan 0.000 0.431 315 G N 3.693 112.512 108.800 0.030 0.000 2.599 315 G HA2 0.273 4.233 3.960 -0.001 0.000 0.196 315 G HA3 0.273 4.233 3.960 -0.001 0.000 0.196 315 G C 0.004 174.929 174.900 0.040 0.000 1.148 315 G CA -0.069 45.051 45.100 0.033 0.000 0.809 315 G HN 0.375 nan 8.290 nan 0.000 0.764 316 M N 0.722 120.348 119.600 0.044 0.000 2.470 316 M HA 0.510 4.989 4.480 -0.001 0.000 0.285 316 M C -1.950 174.381 176.300 0.052 0.000 1.213 316 M CA -0.449 54.877 55.300 0.044 0.000 0.901 316 M CB 3.161 35.788 32.600 0.045 0.000 1.718 316 M HN -0.124 nan 8.290 nan 0.000 0.469 317 I N 2.709 123.313 120.570 0.057 0.000 2.410 317 I HA 0.472 4.642 4.170 -0.001 0.000 0.286 317 I C -0.926 175.248 176.117 0.095 0.000 1.009 317 I CA -0.808 60.558 61.300 0.110 0.000 1.111 317 I CB 1.977 40.065 38.000 0.146 0.000 1.262 317 I HN 0.249 nan 8.210 nan 0.000 0.443 318 V N 7.511 127.496 119.914 0.118 0.000 2.448 318 V HA 0.484 4.604 4.120 -0.001 0.000 0.295 318 V C -0.137 176.068 176.094 0.186 0.000 1.025 318 V CA -0.471 61.888 62.300 0.098 0.000 0.859 318 V CB 1.949 33.804 31.823 0.053 0.000 0.988 318 V HN 0.470 nan 8.190 nan 0.000 0.431 319 I N 3.396 124.059 120.570 0.155 0.000 2.355 319 I HA 0.338 4.507 4.170 -0.001 0.000 0.288 319 I C -0.302 175.894 176.117 0.132 0.000 0.999 319 I CA -0.406 60.997 61.300 0.172 0.000 1.163 319 I CB 1.647 39.692 38.000 0.075 0.000 1.316 319 I HN 0.515 nan 8.210 nan 0.000 0.454 320 D N 7.430 127.916 120.400 0.143 0.000 2.338 320 D HA 0.077 4.716 4.640 -0.001 0.000 0.255 320 D C -0.392 175.975 176.300 0.111 0.000 1.237 320 D CA 0.236 54.328 54.000 0.154 0.000 0.883 320 D CB 0.135 41.027 40.800 0.154 0.000 1.087 320 D HN 0.335 nan 8.370 nan 0.000 0.485 321 Y N 1.776 122.109 120.300 0.056 0.000 2.543 321 Y HA -0.308 4.241 4.550 -0.001 0.000 0.201 321 Y C 0.372 176.287 175.900 0.025 0.000 1.714 321 Y CA 0.045 58.169 58.100 0.040 0.000 1.392 321 Y CB -0.786 37.699 38.460 0.041 0.000 2.025 321 Y HN 0.510 nan 8.280 nan 0.000 0.264 322 L N 2.805 124.102 121.223 0.124 0.000 2.046 322 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 322 L C 2.296 179.165 176.870 -0.001 0.000 1.077 322 L CA 1.868 56.725 54.840 0.030 0.000 0.747 322 L CB -0.305 41.788 42.059 0.058 0.000 0.896 322 L HN 0.903 nan 8.230 nan 0.000 0.432 323 Q N -0.307 119.555 119.800 0.104 0.000 2.443 323 Q HA -0.198 4.141 4.340 -0.001 0.000 0.213 323 Q C 2.071 178.050 176.000 -0.036 0.000 0.982 323 Q CA 1.260 57.118 55.803 0.092 0.000 0.894 323 Q CB -0.411 28.471 28.738 0.241 0.000 0.947 323 Q HN 0.571 nan 8.270 nan 0.000 0.480 324 L N 0.146 121.227 121.223 -0.237 0.000 2.375 324 L HA 0.128 4.468 4.340 -0.001 0.000 0.215 324 L C 0.808 177.580 176.870 -0.163 0.000 1.108 324 L CA -0.149 54.522 54.840 -0.282 0.000 0.830 324 L CB 0.112 41.843 42.059 -0.548 0.000 0.959 324 L HN 0.099 nan 8.230 nan 0.000 0.457 325 I N 1.471 121.958 120.570 -0.138 0.000 2.662 325 I HA -0.104 4.066 4.170 -0.001 0.000 0.285 325 I C 0.663 176.736 176.117 -0.072 0.000 1.161 325 I CA 0.243 61.481 61.300 -0.104 0.000 1.415 325 I CB 0.371 38.310 38.000 -0.102 0.000 1.385 325 I HN 0.280 nan 8.210 nan 0.000 0.552 326 Q N 5.923 125.685 119.800 -0.063 0.000 2.259 326 Q HA 0.579 4.919 4.340 -0.001 0.000 0.246 326 Q C 0.282 176.257 176.000 -0.041 0.000 0.920 326 Q CA -0.832 54.944 55.803 -0.044 0.000 0.895 326 Q CB 1.405 30.122 28.738 -0.036 0.000 1.220 326 Q HN 0.681 nan 8.270 nan 0.000 0.439 327 G N 0.660 109.442 108.800 -0.030 0.000 2.611 327 G HA2 0.125 4.084 3.960 -0.001 0.000 0.273 327 G HA3 0.125 4.084 3.960 -0.001 0.000 0.273 327 G C 0.621 175.505 174.900 -0.027 0.000 1.305 327 G CA -0.240 44.843 45.100 -0.028 0.000 1.010 327 G HN 0.845 nan 8.290 nan 0.000 0.509 328 S N -1.152 114.534 115.700 -0.023 0.000 2.522 328 S HA 0.149 4.618 4.470 -0.001 0.000 0.227 328 S C 1.413 176.004 174.600 -0.016 0.000 0.986 328 S CA 0.473 58.661 58.200 -0.021 0.000 0.929 328 S CB -0.194 62.995 63.200 -0.020 0.000 0.769 328 S HN 0.865 nan 8.310 nan 0.000 0.529 329 G N 1.267 110.059 108.800 -0.013 0.000 2.504 329 G HA2 0.562 4.521 3.960 -0.001 0.000 0.257 329 G HA3 0.562 4.521 3.960 -0.001 0.000 0.257 329 G C 0.029 174.924 174.900 -0.010 0.000 1.451 329 G CA -0.788 44.306 45.100 -0.010 0.000 1.059 329 G HN 0.184 nan 8.290 nan 0.000 0.550 339 V N 1.246 121.160 119.914 -0.001 0.000 2.667 339 V HA -0.084 4.035 4.120 -0.001 0.000 0.252 339 V C 1.698 177.791 176.094 -0.001 0.000 1.065 339 V CA 2.560 64.860 62.300 0.000 0.000 1.083 339 V CB -0.113 31.716 31.823 0.011 0.000 0.692 339 V HN 0.374 nan 8.190 nan 0.000 0.468 340 S N 0.072 115.772 115.700 -0.000 0.000 2.368 340 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 340 S C 1.740 176.335 174.600 -0.007 0.000 1.029 340 S CA 1.768 59.967 58.200 -0.002 0.000 0.988 340 S CB -0.261 62.939 63.200 0.001 0.000 0.838 340 S HN 0.773 nan 8.310 nan 0.000 0.462 341 E N 0.741 120.936 120.200 -0.010 0.000 2.106 341 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 341 E C 1.928 178.515 176.600 -0.022 0.000 0.984 341 E CA 0.757 57.148 56.400 -0.015 0.000 0.806 341 E CB -0.222 29.470 29.700 -0.014 0.000 0.750 341 E HN 0.468 nan 8.360 nan 0.000 0.458 342 I N 0.667 121.222 120.570 -0.024 0.000 2.163 342 I HA -0.268 3.901 4.170 -0.001 0.000 0.240 342 I C 2.688 178.785 176.117 -0.034 0.000 1.081 342 I CA 0.890 62.169 61.300 -0.035 0.000 1.353 342 I CB -0.279 37.699 38.000 -0.036 0.000 1.054 342 I HN 0.072 nan 8.210 nan 0.000 0.407 343 S N 0.615 116.301 115.700 -0.023 0.000 2.383 343 S HA -0.259 4.211 4.470 -0.001 0.000 0.229 343 S C 2.247 176.834 174.600 -0.021 0.000 1.030 343 S CA 1.598 59.786 58.200 -0.020 0.000 1.002 343 S CB -0.279 62.915 63.200 -0.010 0.000 0.829 343 S HN 0.290 nan 8.310 nan 0.000 0.467 344 R N 0.039 120.527 120.500 -0.019 0.000 2.075 344 R HA 0.003 4.343 4.340 -0.001 0.000 0.232 344 R C 2.681 178.968 176.300 -0.023 0.000 1.126 344 R CA 1.551 57.640 56.100 -0.018 0.000 0.963 344 R CB -0.626 29.666 30.300 -0.014 0.000 0.858 344 R HN 0.424 nan 8.270 nan 0.000 0.435 345 S N 0.238 115.921 115.700 -0.029 0.000 2.383 345 S HA -0.006 4.463 4.470 -0.001 0.000 0.227 345 S C 1.822 176.397 174.600 -0.041 0.000 1.026 345 S CA 0.771 58.950 58.200 -0.035 0.000 0.981 345 S CB -0.066 63.109 63.200 -0.042 0.000 0.818 345 S HN 0.263 nan 8.310 nan 0.000 0.472 346 L N 0.911 122.107 121.223 -0.046 0.000 2.083 346 L HA -0.094 4.245 4.340 -0.001 0.000 0.209 346 L C 2.534 179.383 176.870 -0.036 0.000 1.083 346 L CA 1.341 56.151 54.840 -0.049 0.000 0.752 346 L CB -0.475 41.553 42.059 -0.052 0.000 0.899 346 L HN 0.242 nan 8.230 nan 0.000 0.433 347 K N 0.942 121.324 120.400 -0.029 0.000 2.057 347 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 347 K C 2.018 178.607 176.600 -0.018 0.000 1.049 347 K CA 1.632 57.906 56.287 -0.022 0.000 0.931 347 K CB -0.351 32.138 32.500 -0.018 0.000 0.714 347 K HN 0.190 nan 8.250 nan 0.000 0.440 348 A N 0.609 123.417 122.820 -0.020 0.000 1.972 348 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 348 A C 2.089 179.662 177.584 -0.018 0.000 1.169 348 A CA 1.529 53.556 52.037 -0.017 0.000 0.635 348 A CB -0.681 18.308 19.000 -0.018 0.000 0.810 348 A HN 0.392 nan 8.150 nan 0.000 0.446 349 L N -0.287 120.922 121.223 -0.024 0.000 2.083 349 L HA -0.030 4.310 4.340 -0.001 0.000 0.209 349 L C 2.576 179.439 176.870 -0.011 0.000 1.083 349 L CA 2.124 56.951 54.840 -0.022 0.000 0.752 349 L CB -0.768 41.270 42.059 -0.035 0.000 0.899 349 L HN 0.317 nan 8.230 nan 0.000 0.433 350 A N -0.370 122.442 122.820 -0.012 0.000 1.877 350 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 350 A C 2.458 180.041 177.584 -0.002 0.000 1.186 350 A CA 1.703 53.736 52.037 -0.006 0.000 0.620 350 A CB -0.544 18.450 19.000 -0.010 0.000 0.822 350 A HN 0.486 nan 8.150 nan 0.000 0.443 351 R N -0.800 119.698 120.500 -0.004 0.000 2.081 351 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 351 R C 2.322 178.621 176.300 -0.002 0.000 1.131 351 R CA 1.463 57.562 56.100 -0.002 0.000 0.960 351 R CB -0.260 30.038 30.300 -0.003 0.000 0.856 351 R HN 0.773 nan 8.270 nan 0.000 0.436 352 E N 0.481 120.679 120.200 -0.004 0.000 2.047 352 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 352 E C 1.279 177.878 176.600 -0.002 0.000 0.987 352 E CA 1.014 57.411 56.400 -0.004 0.000 0.799 352 E CB 0.177 29.872 29.700 -0.007 0.000 0.752 352 E HN 0.106 nan 8.360 nan 0.000 0.449 353 L N 1.185 122.408 121.223 0.000 0.000 2.591 353 L HA 0.083 4.422 4.340 -0.001 0.000 0.228 353 L C -0.099 176.774 176.870 0.006 0.000 1.133 353 L CA 0.620 55.461 54.840 0.003 0.000 0.880 353 L CB -0.129 41.934 42.059 0.006 0.000 1.033 353 L HN 0.079 nan 8.230 nan 0.000 0.450 354 E N -0.601 119.603 120.200 0.006 0.000 2.230 354 E HA -0.185 4.164 4.350 -0.001 0.000 0.206 354 E C -0.721 175.887 176.600 0.015 0.000 1.309 354 E CA -0.004 56.402 56.400 0.009 0.000 0.697 354 E CB -1.318 28.386 29.700 0.008 0.000 1.146 354 E HN 0.109 nan 8.360 nan 0.000 0.363 355 V N 1.004 120.927 119.914 0.016 0.000 2.817 355 V HA 0.336 4.455 4.120 -0.001 0.000 0.303 355 V C -2.166 173.940 176.094 0.019 0.000 1.151 355 V CA -1.662 60.651 62.300 0.022 0.000 0.929 355 V CB 2.473 34.310 31.823 0.023 0.000 1.030 355 V HN 0.079 nan 8.190 nan 0.000 0.427 356 P HA 0.156 nan 4.420 nan 0.000 0.271 356 P C -0.728 176.558 177.300 -0.023 0.000 1.226 356 P CA 0.158 63.262 63.100 0.006 0.000 0.765 356 P CB 1.056 32.782 31.700 0.044 0.000 0.835 357 V N 6.383 126.270 119.914 -0.045 0.000 2.311 357 V HA 0.256 4.376 4.120 -0.001 0.000 0.275 357 V C 0.700 176.740 176.094 -0.091 0.000 1.022 357 V CA -0.492 61.784 62.300 -0.041 0.000 0.830 357 V CB 0.741 32.550 31.823 -0.023 0.000 1.012 357 V HN 0.409 nan 8.190 nan 0.000 0.452 358 I N 4.882 125.389 120.570 -0.105 0.000 2.281 358 I HA 0.487 4.657 4.170 -0.001 0.000 0.293 358 I C 0.696 176.787 176.117 -0.044 0.000 1.085 358 I CA 0.044 61.260 61.300 -0.140 0.000 1.257 358 I CB 0.944 38.823 38.000 -0.201 0.000 1.430 358 I HN 0.629 nan 8.210 nan 0.000 0.489 359 A N 8.087 130.884 122.820 -0.039 0.000 2.260 359 A HA 0.675 4.994 4.320 -0.001 0.000 0.314 359 A C -0.233 177.368 177.584 0.028 0.000 1.257 359 A CA -0.543 51.496 52.037 0.005 0.000 0.871 359 A CB 0.520 19.515 19.000 -0.008 0.000 1.166 359 A HN 0.678 nan 8.150 nan 0.000 0.522 360 L N 1.829 123.099 121.223 0.079 0.000 2.417 360 L HA 0.496 4.835 4.340 -0.001 0.000 0.268 360 L C 0.848 177.799 176.870 0.135 0.000 1.158 360 L CA -0.039 54.868 54.840 0.111 0.000 0.819 360 L CB 1.344 43.498 42.059 0.160 0.000 1.112 360 L HN 0.702 nan 8.230 nan 0.000 0.458 361 S N 1.095 116.861 115.700 0.109 0.000 2.595 361 S HA 0.419 4.888 4.470 -0.001 0.000 0.281 361 S C -1.127 173.512 174.600 0.065 0.000 1.117 361 S CA -0.663 57.606 58.200 0.115 0.000 0.873 361 S CB 2.019 65.270 63.200 0.087 0.000 1.108 361 S HN 0.609 nan 8.310 nan 0.000 0.477 362 Q N 2.344 122.169 119.800 0.042 0.000 2.316 362 Q HA 0.595 4.934 4.340 -0.001 0.000 0.264 362 Q C -1.171 174.832 176.000 0.004 0.000 0.987 362 Q CA -0.566 55.209 55.803 -0.045 0.000 0.852 362 Q CB 1.214 29.841 28.738 -0.186 0.000 1.287 362 Q HN 0.697 nan 8.270 nan 0.000 0.448 363 L N 2.303 123.526 121.223 -0.001 0.000 2.417 363 L HA 0.287 4.627 4.340 -0.001 0.000 0.268 363 L C 0.492 177.350 176.870 -0.020 0.000 1.158 363 L CA -0.349 54.491 54.840 -0.000 0.000 0.819 363 L CB 1.028 43.072 42.059 -0.024 0.000 1.112 363 L HN 0.746 nan 8.230 nan 0.000 0.458 364 S N 1.986 117.675 115.700 -0.019 0.000 2.600 364 S HA 0.200 4.669 4.470 -0.001 0.000 0.265 364 S C 0.486 175.066 174.600 -0.032 0.000 1.325 364 S CA -0.642 57.546 58.200 -0.020 0.000 1.002 364 S CB 0.590 63.781 63.200 -0.015 0.000 0.921 364 S HN 0.567 nan 8.310 nan 0.000 0.554 365 R N 1.054 121.539 120.500 -0.026 0.000 3.907 365 R HA 0.212 4.551 4.340 -0.001 0.000 0.241 365 R C 0.708 176.990 176.300 -0.030 0.000 1.784 365 R CA -0.026 56.058 56.100 -0.027 0.000 1.509 365 R CB -0.541 29.747 30.300 -0.020 0.000 1.275 365 R HN 0.607 nan 8.270 nan 0.000 0.642 366 S N -0.776 114.900 115.700 -0.041 0.000 2.475 366 S HA -0.036 4.433 4.470 -0.001 0.000 0.224 366 S C 1.943 176.509 174.600 -0.058 0.000 1.042 366 S CA 0.192 58.364 58.200 -0.047 0.000 0.935 366 S CB 0.325 63.493 63.200 -0.054 0.000 0.801 366 S HN 0.162 nan 8.310 nan 0.000 0.509 367 V N 2.126 121.998 119.914 -0.071 0.000 2.287 367 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 367 V C 1.206 177.278 176.094 -0.037 0.000 1.053 367 V CA 1.470 63.725 62.300 -0.074 0.000 1.027 367 V CB -0.726 31.052 31.823 -0.076 0.000 0.646 367 V HN 0.466 nan 8.190 nan 0.000 0.447 375 P HA 0.207 nan 4.420 nan 0.000 0.272 375 P C -0.588 176.311 177.300 -0.668 0.000 1.223 375 P CA -0.138 62.630 63.100 -0.555 0.000 0.784 375 P CB 0.834 32.127 31.700 -0.679 0.000 0.923 376 M N -0.193 118.995 119.600 -0.686 0.000 3.053 376 M HA 0.406 4.885 4.480 -0.001 0.000 0.281 376 M C 0.621 176.757 176.300 -0.272 0.000 1.304 376 M CA -1.012 54.042 55.300 -0.410 0.000 0.767 376 M CB 0.828 33.321 32.600 -0.178 0.000 1.730 376 M HN -0.132 nan 8.290 nan 0.000 0.437 377 M N 0.916 120.549 119.600 0.055 0.000 2.296 377 M HA -0.043 4.437 4.480 -0.001 0.000 0.265 377 M C 2.076 178.422 176.300 0.078 0.000 1.064 377 M CA 2.099 57.505 55.300 0.176 0.000 1.109 377 M CB -1.389 31.295 32.600 0.140 0.000 1.396 377 M HN 0.958 nan 8.290 nan 0.000 0.430 378 S N -0.523 115.177 115.700 -0.000 0.000 2.515 378 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 378 S C 1.129 175.713 174.600 -0.026 0.000 0.987 378 S CA 0.769 58.962 58.200 -0.011 0.000 0.936 378 S CB -0.330 62.853 63.200 -0.028 0.000 0.766 378 S HN 0.365 nan 8.310 nan 0.000 0.528 379 D N 1.882 122.242 120.400 -0.067 0.000 2.355 379 D HA 0.138 4.778 4.640 -0.001 0.000 0.218 379 D C 1.490 177.788 176.300 -0.004 0.000 1.004 379 D CA 0.696 54.649 54.000 -0.078 0.000 0.880 379 D CB 0.007 40.692 40.800 -0.192 0.000 0.911 379 D HN 0.790 nan 8.370 nan 0.000 0.528 380 I N -3.236 117.372 120.570 0.062 0.000 4.240 380 I HA 0.344 4.513 4.170 -0.001 0.000 0.331 380 I C 1.754 177.911 176.117 0.067 0.000 1.381 380 I CA -0.339 61.017 61.300 0.095 0.000 1.136 380 I CB 0.568 38.673 38.000 0.175 0.000 1.137 380 I HN -0.290 nan 8.210 nan 0.000 0.411 381 R N 2.063 122.594 120.500 0.050 0.000 2.173 381 R HA 0.085 4.425 4.340 -0.001 0.000 0.208 381 R C 1.795 178.109 176.300 0.022 0.000 1.035 381 R CA 1.162 57.283 56.100 0.036 0.000 1.004 381 R CB -0.170 30.148 30.300 0.031 0.000 0.917 381 R HN 0.347 nan 8.270 nan 0.000 0.462 382 E N -0.476 119.733 120.200 0.016 0.000 2.418 382 E HA 0.030 4.379 4.350 -0.001 0.000 0.197 382 E C 0.101 176.711 176.600 0.016 0.000 1.026 382 E CA 0.560 56.966 56.400 0.011 0.000 0.862 382 E CB 0.274 29.975 29.700 0.003 0.000 0.799 382 E HN 0.073 nan 8.360 nan 0.000 0.518 383 S N 0.502 116.217 115.700 0.024 0.000 2.751 383 S HA 0.325 4.794 4.470 -0.001 0.000 0.247 383 S C 0.561 175.179 174.600 0.031 0.000 1.103 383 S CA -0.159 58.058 58.200 0.028 0.000 1.090 383 S CB 1.059 64.280 63.200 0.035 0.000 0.928 383 S HN 0.287 nan 8.310 nan 0.000 0.502 384 G N 1.455 110.271 108.800 0.027 0.000 2.486 384 G HA2 0.262 4.221 3.960 -0.001 0.000 0.272 384 G HA3 0.262 4.221 3.960 -0.001 0.000 0.272 384 G C 0.317 175.227 174.900 0.018 0.000 1.426 384 G CA -0.288 44.827 45.100 0.025 0.000 1.058 384 G HN 0.372 nan 8.290 nan 0.000 0.531 385 S N -0.568 115.139 115.700 0.013 0.000 2.704 385 S HA 0.152 4.622 4.470 -0.001 0.000 0.241 385 S C 1.856 176.463 174.600 0.011 0.000 1.264 385 S CA -0.586 57.622 58.200 0.013 0.000 1.236 385 S CB -0.974 62.232 63.200 0.009 0.000 0.928 385 S HN 0.427 nan 8.310 nan 0.000 0.492 386 I N 0.128 120.707 120.570 0.015 0.000 2.335 386 I HA -0.164 4.006 4.170 -0.001 0.000 0.251 386 I C 2.388 178.508 176.117 0.005 0.000 1.129 386 I CA 1.188 62.493 61.300 0.009 0.000 1.402 386 I CB -0.439 37.571 38.000 0.016 0.000 1.069 386 I HN 0.474 nan 8.210 nan 0.000 0.424 387 E N 1.249 121.459 120.200 0.015 0.000 2.086 387 E HA -0.344 4.005 4.350 -0.001 0.000 0.205 387 E C 2.226 178.828 176.600 0.004 0.000 1.027 387 E CA 2.131 58.540 56.400 0.015 0.000 0.830 387 E CB 0.015 29.732 29.700 0.028 0.000 0.751 387 E HN 0.495 nan 8.360 nan 0.000 0.456 388 Q N 0.320 120.122 119.800 0.005 0.000 2.020 388 Q HA -0.128 4.211 4.340 -0.001 0.000 0.198 388 Q C 1.940 177.938 176.000 -0.003 0.000 0.974 388 Q CA 1.746 57.550 55.803 0.002 0.000 0.829 388 Q CB -0.004 28.736 28.738 0.003 0.000 0.894 388 Q HN 0.330 nan 8.270 nan 0.000 0.433 389 D N 0.614 121.011 120.400 -0.005 0.000 2.149 389 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 389 D C 0.087 176.378 176.300 -0.015 0.000 0.990 389 D CA 1.094 55.089 54.000 -0.009 0.000 0.839 389 D CB -0.309 40.484 40.800 -0.011 0.000 0.948 389 D HN 0.248 nan 8.370 nan 0.000 0.460 390 A N 1.531 124.339 122.820 -0.019 0.000 2.451 390 A HA 0.137 4.456 4.320 -0.001 0.000 0.266 390 A C 0.421 177.991 177.584 -0.024 0.000 1.119 390 A CA -0.412 51.607 52.037 -0.030 0.000 0.786 390 A CB 0.302 19.275 19.000 -0.045 0.000 1.061 390 A HN 0.001 nan 8.150 nan 0.000 0.503 391 D N 1.359 121.748 120.400 -0.019 0.000 2.340 391 D HA 0.180 4.820 4.640 -0.001 0.000 0.220 391 D C 0.142 176.438 176.300 -0.006 0.000 1.039 391 D CA 0.308 54.303 54.000 -0.008 0.000 0.866 391 D CB 0.038 40.839 40.800 0.002 0.000 0.913 391 D HN 0.430 nan 8.370 nan 0.000 0.523 392 I N -0.167 120.388 120.570 -0.024 0.000 2.667 392 I HA 0.280 4.449 4.170 -0.001 0.000 0.288 392 I C -2.019 174.048 176.117 -0.082 0.000 1.267 392 I CA -0.896 60.388 61.300 -0.027 0.000 1.055 392 I CB 1.842 39.858 38.000 0.026 0.000 1.294 392 I HN -0.322 nan 8.210 nan 0.000 0.429 393 V N 6.968 126.803 119.914 -0.132 0.000 2.448 393 V HA 0.862 4.982 4.120 -0.001 0.000 0.295 393 V C 0.103 175.961 176.094 -0.393 0.000 1.025 393 V CA -0.339 61.796 62.300 -0.274 0.000 0.859 393 V CB 1.413 33.052 31.823 -0.306 0.000 0.988 393 V HN 0.800 nan 8.190 nan 0.000 0.431 394 A N 5.184 127.742 122.820 -0.436 0.000 2.343 394 A HA 0.920 5.240 4.320 -0.001 0.000 0.316 394 A C -1.100 176.189 177.584 -0.491 0.000 1.104 394 A CA -0.403 51.411 52.037 -0.372 0.000 0.768 394 A CB 0.894 19.827 19.000 -0.112 0.000 1.213 394 A HN 0.636 nan 8.150 nan 0.000 0.456 395 F N 1.056 120.968 119.950 -0.064 0.000 2.507 395 F HA 0.645 5.172 4.527 -0.001 0.000 0.327 395 F C 0.048 175.770 175.800 -0.130 0.000 1.068 395 F CA -0.795 57.157 58.000 -0.080 0.000 0.965 395 F CB 1.854 40.821 39.000 -0.055 0.000 1.192 395 F HN 0.308 nan 8.300 nan 0.000 0.476 396 L N 2.516 123.792 121.223 0.088 0.000 2.341 396 L HA 0.495 4.835 4.340 -0.001 0.000 0.278 396 L C -1.230 175.691 176.870 0.085 0.000 1.005 396 L CA -0.843 53.970 54.840 -0.045 0.000 0.818 396 L CB 1.854 43.790 42.059 -0.205 0.000 1.259 396 L HN 0.617 nan 8.230 nan 0.000 0.418 410 N N 3.951 122.667 118.700 0.027 0.000 2.451 410 N HA 0.098 4.837 4.740 -0.001 0.000 0.264 410 N C -0.009 175.550 175.510 0.083 0.000 1.167 410 N CA -0.245 52.837 53.050 0.054 0.000 0.898 410 N CB 0.475 38.994 38.487 0.053 0.000 1.176 410 N HN 0.471 nan 8.380 nan 0.000 0.507 411 I N 0.435 121.039 120.570 0.056 0.000 2.498 411 I HA 0.371 4.540 4.170 -0.001 0.000 0.301 411 I C -0.678 175.472 176.117 0.054 0.000 0.984 411 I CA -0.900 60.442 61.300 0.071 0.000 1.204 411 I CB 1.486 39.517 38.000 0.052 0.000 1.362 411 I HN -0.000 nan 8.210 nan 0.000 0.471 412 I N 6.227 126.853 120.570 0.094 0.000 2.689 412 I HA 0.398 4.567 4.170 -0.001 0.000 0.299 412 I C -0.915 175.227 176.117 0.043 0.000 1.059 412 I CA -0.497 60.840 61.300 0.063 0.000 1.055 412 I CB 2.144 40.244 38.000 0.167 0.000 1.243 412 I HN 0.638 nan 8.210 nan 0.000 0.425 413 E N 6.810 127.026 120.200 0.026 0.000 2.166 413 E HA 0.459 4.808 4.350 -0.001 0.000 0.275 413 E C -0.944 175.646 176.600 -0.017 0.000 0.941 413 E CA -0.605 55.822 56.400 0.043 0.000 0.784 413 E CB 2.388 32.169 29.700 0.136 0.000 1.115 413 E HN 0.381 nan 8.360 nan 0.000 0.399 414 I N 4.686 125.220 120.570 -0.060 0.000 2.347 414 I HA 0.266 4.435 4.170 -0.001 0.000 0.283 414 I C -0.262 175.839 176.117 -0.026 0.000 1.058 414 I CA -0.406 60.820 61.300 -0.122 0.000 1.202 414 I CB 0.324 38.212 38.000 -0.187 0.000 1.386 414 I HN 0.338 nan 8.210 nan 0.000 0.475 415 I N 6.942 127.526 120.570 0.022 0.000 2.291 415 I HA 0.243 4.412 4.170 -0.001 0.000 0.292 415 I C 0.189 176.328 176.117 0.036 0.000 1.064 415 I CA -0.249 61.090 61.300 0.066 0.000 1.269 415 I CB 0.523 38.605 38.000 0.136 0.000 1.418 415 I HN 0.448 nan 8.210 nan 0.000 0.485 416 I N 6.362 126.941 120.570 0.016 0.000 2.260 416 I HA 0.148 4.317 4.170 -0.001 0.000 0.297 416 I C 1.401 177.518 176.117 0.000 0.000 1.143 416 I CA 0.099 61.393 61.300 -0.010 0.000 1.271 416 I CB 0.998 39.010 38.000 0.020 0.000 1.461 416 I HN 0.729 nan 8.210 nan 0.000 0.530 417 A N 5.986 128.790 122.820 -0.026 0.000 1.970 417 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 417 A C 1.096 178.685 177.584 0.008 0.000 1.170 417 A CA 0.938 52.999 52.037 0.040 0.000 0.645 417 A CB 0.151 19.251 19.000 0.166 0.000 0.816 417 A HN 0.629 nan 8.150 nan 0.000 0.447 418 K N -0.387 119.991 120.400 -0.037 0.000 2.468 418 K HA 0.494 4.814 4.320 -0.001 0.000 0.252 418 K C -1.599 174.993 176.600 -0.014 0.000 0.932 418 K CA -0.489 55.786 56.287 -0.020 0.000 0.794 418 K CB 1.410 33.895 32.500 -0.025 0.000 1.241 418 K HN 0.263 nan 8.250 nan 0.000 0.428 419 Q N 3.899 123.702 119.800 0.004 0.000 2.280 419 Q HA 0.250 4.589 4.340 -0.001 0.000 0.259 419 Q C -0.215 175.794 176.000 0.016 0.000 0.964 419 Q CA -0.519 55.294 55.803 0.017 0.000 0.844 419 Q CB 1.446 30.201 28.738 0.029 0.000 1.334 419 Q HN 0.703 nan 8.270 nan 0.000 0.423 420 R N 1.721 122.231 120.500 0.016 0.000 2.090 420 R HA -0.002 4.337 4.340 -0.001 0.000 0.228 420 R C 0.136 176.445 176.300 0.015 0.000 1.110 420 R CA 0.949 57.058 56.100 0.014 0.000 0.973 420 R CB 0.235 30.543 30.300 0.012 0.000 0.869 420 R HN 0.397 nan 8.270 nan 0.000 0.440 421 N N 0.219 118.930 118.700 0.019 0.000 2.851 421 N HA 0.242 4.982 4.740 -0.001 0.000 0.248 421 N C -1.184 174.336 175.510 0.016 0.000 1.221 421 N CA 0.186 53.246 53.050 0.016 0.000 0.847 421 N CB 1.197 39.693 38.487 0.015 0.000 1.150 421 N HN 0.328 nan 8.380 nan 0.000 0.507 422 G N 1.811 110.620 108.800 0.014 0.000 2.368 422 G HA2 0.059 4.018 3.960 -0.001 0.000 0.302 422 G HA3 0.059 4.018 3.960 -0.001 0.000 0.302 422 G C -3.095 171.814 174.900 0.013 0.000 1.329 422 G CA -0.947 44.160 45.100 0.013 0.000 0.935 422 G HN 0.245 nan 8.290 nan 0.000 0.590 423 P HA 0.493 nan 4.420 nan 0.000 0.272 423 P C -0.572 176.738 177.300 0.016 0.000 1.254 423 P CA -0.224 62.884 63.100 0.013 0.000 0.795 423 P CB 1.041 32.748 31.700 0.012 0.000 1.022 424 V N -0.117 119.807 119.914 0.016 0.000 2.525 424 V HA 0.758 4.877 4.120 -0.001 0.000 0.299 424 V C 0.543 176.649 176.094 0.019 0.000 1.034 424 V CA 0.187 62.498 62.300 0.019 0.000 0.863 424 V CB 1.277 33.111 31.823 0.019 0.000 0.999 424 V HN 1.086 nan 8.190 nan 0.000 0.423 425 G N 3.128 111.941 108.800 0.022 0.000 2.427 425 G HA2 0.514 4.474 3.960 -0.001 0.000 0.306 425 G HA3 0.514 4.474 3.960 -0.001 0.000 0.306 425 G C -1.078 173.837 174.900 0.025 0.000 1.280 425 G CA -0.323 44.790 45.100 0.022 0.000 0.837 425 G HN 0.457 nan 8.290 nan 0.000 0.482 426 T N 0.671 115.240 114.554 0.024 0.000 2.791 426 T HA 0.579 4.929 4.350 -0.001 0.000 0.288 426 T C -0.278 174.437 174.700 0.025 0.000 0.999 426 T CA -0.285 61.831 62.100 0.027 0.000 0.952 426 T CB 1.543 70.429 68.868 0.030 0.000 0.938 426 T HN 0.505 nan 8.240 nan 0.000 0.444 427 V N 3.862 123.789 119.914 0.021 0.000 2.481 427 V HA 0.416 4.536 4.120 -0.001 0.000 0.286 427 V C 0.118 176.222 176.094 0.015 0.000 1.042 427 V CA -0.665 61.648 62.300 0.022 0.000 0.928 427 V CB 1.652 33.491 31.823 0.027 0.000 0.986 427 V HN 0.793 nan 8.190 nan 0.000 0.462 428 Q N 3.538 123.355 119.800 0.028 0.000 2.333 428 Q HA 0.737 5.077 4.340 -0.001 0.000 0.267 428 Q C -1.522 174.506 176.000 0.046 0.000 1.012 428 Q CA -0.457 55.367 55.803 0.035 0.000 0.824 428 Q CB 1.833 30.598 28.738 0.045 0.000 1.290 428 Q HN 0.655 nan 8.270 nan 0.000 0.449 429 L N 1.293 122.552 121.223 0.060 0.000 2.350 429 L HA 0.857 5.196 4.340 -0.001 0.000 0.260 429 L C -0.919 176.054 176.870 0.172 0.000 1.015 429 L CA -1.186 53.718 54.840 0.107 0.000 0.821 429 L CB 2.141 44.239 42.059 0.065 0.000 1.370 429 L HN 0.653 nan 8.230 nan 0.000 0.416 430 A N 1.195 124.124 122.820 0.181 0.000 2.305 430 A HA 0.649 4.969 4.320 -0.001 0.000 0.322 430 A C -1.329 176.359 177.584 0.172 0.000 1.187 430 A CA -0.250 51.882 52.037 0.158 0.000 0.825 430 A CB 0.782 19.842 19.000 0.099 0.000 1.164 430 A HN 0.493 nan 8.150 nan 0.000 0.498 431 F N 3.181 123.087 119.950 -0.072 0.000 2.444 431 F HA 0.665 5.191 4.527 -0.001 0.000 0.342 431 F C -0.581 175.107 175.800 -0.187 0.000 1.121 431 F CA -0.972 56.841 58.000 -0.311 0.000 0.997 431 F CB 1.037 39.755 39.000 -0.470 0.000 1.130 431 F HN 0.434 nan 8.300 nan 0.000 0.454 432 I N 7.697 127.766 120.570 -0.836 0.000 2.312 432 I HA 0.258 4.427 4.170 -0.001 0.000 0.290 432 I C 0.731 176.289 176.117 -0.931 0.000 1.008 432 I CA -0.551 60.397 61.300 -0.586 0.000 1.226 432 I CB 1.618 39.500 38.000 -0.196 0.000 1.371 432 I HN 0.702 nan 8.210 nan 0.000 0.468 433 K N 3.669 123.722 120.400 -0.578 0.000 2.097 433 K HA -0.147 4.172 4.320 -0.001 0.000 0.205 433 K C 1.308 177.724 176.600 -0.306 0.000 1.050 433 K CA 1.412 57.495 56.287 -0.341 0.000 0.938 433 K CB 0.076 32.550 32.500 -0.043 0.000 0.718 433 K HN 0.542 nan 8.250 nan 0.000 0.442 434 E N -0.182 119.786 120.200 -0.386 0.000 2.204 434 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 434 E C 1.019 177.276 176.600 -0.572 0.000 0.990 434 E CA 1.285 57.380 56.400 -0.509 0.000 0.821 434 E CB -0.069 29.199 29.700 -0.722 0.000 0.750 434 E HN 0.477 nan 8.360 nan 0.000 0.477 435 Y N -1.384 118.806 120.300 -0.183 0.000 2.430 435 Y HA 0.257 4.806 4.550 -0.001 0.000 0.248 435 Y C 0.376 176.180 175.900 -0.160 0.000 1.108 435 Y CA -0.306 57.706 58.100 -0.146 0.000 1.264 435 Y CB 0.435 38.815 38.460 -0.132 0.000 1.172 435 Y HN -0.131 nan 8.280 nan 0.000 0.520 436 N N 1.410 120.005 118.700 -0.174 0.000 2.756 436 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 436 N C -0.992 174.447 175.510 -0.119 0.000 1.062 436 N CA 0.464 53.422 53.050 -0.154 0.000 0.696 436 N CB -0.666 37.857 38.487 0.060 0.000 0.946 436 N HN 0.297 nan 8.380 nan 0.000 0.548 437 K N 0.345 120.529 120.400 -0.360 0.000 2.371 437 K HA 0.427 4.747 4.320 -0.001 0.000 0.251 437 K C -0.862 175.595 176.600 -0.237 0.000 0.934 437 K CA -0.619 55.598 56.287 -0.117 0.000 0.798 437 K CB 0.908 33.400 32.500 -0.013 0.000 1.204 437 K HN 0.014 nan 8.250 nan 0.000 0.427 438 F N 1.897 122.001 119.950 0.255 0.000 2.415 438 F HA 0.340 4.867 4.527 -0.001 0.000 0.348 438 F C 0.175 176.170 175.800 0.324 0.000 1.119 438 F CA -0.692 57.463 58.000 0.258 0.000 1.069 438 F CB 1.423 40.521 39.000 0.163 0.000 1.124 438 F HN 0.011 nan 8.300 nan 0.000 0.472 439 V N 2.575 122.703 119.914 0.357 0.000 3.046 439 V HA 0.403 4.522 4.120 -0.001 0.000 0.316 439 V C 0.001 176.265 176.094 0.284 0.000 1.104 439 V CA -1.252 61.236 62.300 0.314 0.000 1.006 439 V CB 1.838 33.756 31.823 0.159 0.000 1.058 439 V HN 0.606 nan 8.190 nan 0.000 0.440 440 N N 0.521 119.380 118.700 0.265 0.000 2.255 440 N HA 0.478 5.218 4.740 -0.001 0.000 0.253 440 N C -0.501 175.088 175.510 0.131 0.000 1.313 440 N CA -0.119 53.054 53.050 0.205 0.000 0.912 440 N CB 0.401 38.991 38.487 0.171 0.000 1.145 440 N HN 0.517 nan 8.380 nan 0.000 0.511 441 L N 0.000 121.285 121.223 0.103 0.000 2.949 441 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 441 L CA 0.000 54.886 54.840 0.077 0.000 0.813 441 L CB 0.000 42.103 42.059 0.073 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502