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 1szq_1_A DATA FIRST_RESID 11 DATA SEQUENCE EFDREIVDIV DYVXNYEISS KVAYDTAHYC LLDTLGCGLE ALEYPACKKL DATA SEQUENCE LGPIVPGTVV PNGVRVPGTQ FQLDPVQAAF NIGAXIRWLD FNDTWLAAEW DATA SEQUENCE GHPSDNLGGI LATADWLSRN AVASGKAPLT XKQVLTAXIK AHEIQGCIAL DATA SEQUENCE ENSFNRVGLD HVLLVKVAST AVVAEXLGLT REEILNAVSL AWVDGQSLRT DATA SEQUENCE YRHAPNTGTR KSWAAGDATS RAVRLALXAK TGEXGYPSAL TAPVWGFYDV DATA SEQUENCE SFKGESFRFQ RPYGSYVXEN VLFKISFPAE FHSQTAVEAA XTLYEQXQAA DATA SEQUENCE GKTAADIEKV TIRTHEACIR IIDKKGPLNN PADRDHCIQY XVAIPLLFGR DATA SEQUENCE LTAADYEDNV AQDKRIDALR EKINCFEDPA FTADYHDPEK RAIANAITLE DATA SEQUENCE FTDGTRFEEV VVEYPIGHAR RRQDGIPKLV DKFKINLARQ FPTRQQQRIL DATA SEQUENCE EVSLDRARLE QXPVNEYLDL YVI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 E HA 0.000 nan 4.350 nan 0.000 0.291 11 E C 0.000 176.572 176.600 -0.046 0.000 1.382 11 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 11 E CB 0.000 29.672 29.700 -0.046 0.000 0.812 12 F N 3.684 123.658 119.950 0.040 0.000 2.471 12 F HA 0.138 4.669 4.527 0.006 0.000 0.353 12 F C 0.823 176.653 175.800 0.051 0.000 1.113 12 F CA -0.028 58.002 58.000 0.049 0.000 1.262 12 F CB 0.412 39.443 39.000 0.052 0.000 1.146 12 F HN -0.184 nan 8.300 nan 0.000 0.578 13 D N 1.964 122.495 120.400 0.217 0.000 2.506 13 D HA -0.042 4.602 4.640 0.006 0.000 0.234 13 D C 1.361 177.757 176.300 0.160 0.000 1.143 13 D CA 0.133 54.220 54.000 0.145 0.000 0.871 13 D CB 0.477 41.325 40.800 0.080 0.000 1.190 13 D HN 0.406 nan 8.370 nan 0.000 0.459 14 R N 2.449 123.025 120.500 0.127 0.000 2.113 14 R HA -0.262 4.081 4.340 0.006 0.000 0.244 14 R C 1.290 177.652 176.300 0.103 0.000 1.142 14 R CA 1.978 58.141 56.100 0.104 0.000 0.953 14 R CB -0.225 30.127 30.300 0.086 0.000 0.860 14 R HN 0.449 nan 8.270 nan 0.000 0.438 15 E N 0.189 120.471 120.200 0.137 0.000 2.049 15 E HA -0.188 4.165 4.350 0.006 0.000 0.198 15 E C 2.027 178.748 176.600 0.202 0.000 1.007 15 E CA 2.088 58.591 56.400 0.172 0.000 0.809 15 E CB -0.334 29.551 29.700 0.307 0.000 0.749 15 E HN 0.458 nan 8.360 nan 0.000 0.450 16 I N 0.204 120.897 120.570 0.204 0.000 2.226 16 I HA -0.240 3.933 4.170 0.006 0.000 0.245 16 I C 2.103 178.309 176.117 0.148 0.000 1.100 16 I CA 0.790 62.233 61.300 0.238 0.000 1.374 16 I CB -0.320 37.849 38.000 0.283 0.000 1.057 16 I HN 0.003 nan 8.210 nan 0.000 0.413 17 V N 0.722 120.715 119.914 0.131 0.000 2.490 17 V HA -0.258 3.866 4.120 0.006 0.000 0.250 17 V C 2.019 178.168 176.094 0.091 0.000 1.061 17 V CA 1.768 64.120 62.300 0.086 0.000 1.064 17 V CB -0.703 31.180 31.823 0.100 0.000 0.670 17 V HN 0.403 nan 8.190 nan 0.000 0.461 18 D N 0.147 120.614 120.400 0.112 0.000 2.097 18 D HA -0.070 4.574 4.640 0.006 0.000 0.197 18 D C 2.143 178.572 176.300 0.216 0.000 0.984 18 D CA 1.230 55.316 54.000 0.144 0.000 0.826 18 D CB -0.100 40.752 40.800 0.087 0.000 0.973 18 D HN 0.376 nan 8.370 nan 0.000 0.460 19 I N 0.814 121.492 120.570 0.179 0.000 2.163 19 I HA -0.242 3.932 4.170 0.006 0.000 0.243 19 I C 2.411 178.569 176.117 0.069 0.000 1.085 19 I CA 0.755 62.072 61.300 0.029 0.000 1.347 19 I CB -0.175 37.846 38.000 0.035 0.000 1.044 19 I HN -0.107 nan 8.210 nan 0.000 0.408 20 V N 0.461 120.410 119.914 0.058 0.000 2.427 20 V HA -0.256 3.867 4.120 0.006 0.000 0.248 20 V C 1.997 178.112 176.094 0.036 0.000 1.051 20 V CA 1.822 64.133 62.300 0.018 0.000 1.048 20 V CB -0.696 31.108 31.823 -0.032 0.000 0.666 20 V HN 0.384 nan 8.190 nan 0.000 0.456 21 D N -0.882 119.563 120.400 0.075 0.000 2.144 21 D HA -0.169 4.474 4.640 0.006 0.000 0.200 21 D C 1.928 178.301 176.300 0.122 0.000 0.978 21 D CA 1.357 55.408 54.000 0.084 0.000 0.833 21 D CB -0.265 40.593 40.800 0.097 0.000 0.961 21 D HN 0.577 nan 8.370 nan 0.000 0.470 22 Y N 1.812 122.137 120.300 0.041 0.000 2.145 22 Y HA -0.104 4.449 4.550 0.006 0.000 0.286 22 Y C 1.202 177.131 175.900 0.048 0.000 1.145 22 Y CA 0.914 59.042 58.100 0.047 0.000 1.148 22 Y CB -0.511 37.941 38.460 -0.015 0.000 0.981 22 Y HN -0.217 nan 8.280 nan 0.000 0.507 26 Y N 3.422 123.656 120.300 -0.109 0.000 2.632 26 Y HA 0.170 4.723 4.550 0.006 0.000 0.329 26 Y C 0.253 176.098 175.900 -0.092 0.000 1.174 26 Y CA 0.393 58.445 58.100 -0.081 0.000 1.469 26 Y CB 0.425 38.822 38.460 -0.104 0.000 1.242 26 Y HN -0.095 nan 8.280 nan 0.000 0.540 27 E N 5.898 125.715 120.200 -0.638 0.000 2.115 27 E HA 0.275 4.628 4.350 0.006 0.000 0.282 27 E C -0.928 175.244 176.600 -0.714 0.000 0.987 27 E CA -0.496 55.612 56.400 -0.486 0.000 0.797 27 E CB 0.208 29.737 29.700 -0.285 0.000 1.086 27 E HN 0.446 nan 8.360 nan 0.000 0.397 28 I N 3.655 124.031 120.570 -0.324 0.000 2.494 28 I HA -0.015 4.159 4.170 0.006 0.000 0.289 28 I C 0.703 176.831 176.117 0.018 0.000 1.106 28 I CA 0.368 61.607 61.300 -0.102 0.000 1.369 28 I CB -0.273 37.737 38.000 0.017 0.000 1.410 28 I HN 0.449 nan 8.210 nan 0.000 0.523 29 S N 2.620 118.308 115.700 -0.021 0.000 2.562 29 S HA 0.171 4.645 4.470 0.006 0.000 0.246 29 S C 0.408 175.056 174.600 0.080 0.000 1.056 29 S CA -0.614 57.601 58.200 0.025 0.000 1.042 29 S CB 0.153 63.339 63.200 -0.022 0.000 0.822 29 S HN 0.553 nan 8.310 nan 0.000 0.465 30 S N 0.936 116.711 115.700 0.125 0.000 2.474 30 S HA 0.479 4.952 4.470 0.006 0.000 0.321 30 S C 0.711 175.404 174.600 0.155 0.000 1.080 30 S CA -0.647 57.620 58.200 0.112 0.000 1.106 30 S CB 1.356 64.607 63.200 0.085 0.000 0.984 30 S HN 0.336 nan 8.310 nan 0.000 0.464 31 K N 3.684 124.154 120.400 0.118 0.000 2.155 31 K HA 0.080 4.403 4.320 0.006 0.000 0.203 31 K C 1.553 178.219 176.600 0.111 0.000 1.052 31 K CA 1.362 57.721 56.287 0.120 0.000 0.948 31 K CB -0.365 32.175 32.500 0.066 0.000 0.728 31 K HN 0.543 nan 8.250 nan 0.000 0.448 32 V N 0.512 120.474 119.914 0.080 0.000 2.548 32 V HA -0.156 3.968 4.120 0.006 0.000 0.249 32 V C 2.185 178.304 176.094 0.041 0.000 1.055 32 V CA 1.652 63.992 62.300 0.066 0.000 1.065 32 V CB -0.593 31.259 31.823 0.048 0.000 0.681 32 V HN 0.403 nan 8.190 nan 0.000 0.462 33 A N -0.609 122.216 122.820 0.007 0.000 1.845 33 A HA -0.233 4.091 4.320 0.006 0.000 0.215 33 A C 2.081 179.574 177.584 -0.152 0.000 1.195 33 A CA 1.947 53.925 52.037 -0.099 0.000 0.616 33 A CB -0.864 18.041 19.000 -0.157 0.000 0.832 33 A HN 0.517 nan 8.150 nan 0.000 0.443 34 Y N 0.600 120.885 120.300 -0.026 0.000 2.224 34 Y HA -0.197 4.356 4.550 0.006 0.000 0.289 34 Y C 2.326 178.195 175.900 -0.051 0.000 1.146 34 Y CA 1.624 59.691 58.100 -0.054 0.000 1.182 34 Y CB -0.271 38.145 38.460 -0.074 0.000 0.983 34 Y HN 0.332 nan 8.280 nan 0.000 0.524 35 D N -1.030 119.437 120.400 0.111 0.000 2.117 35 D HA -0.149 4.494 4.640 0.006 0.000 0.197 35 D C 2.283 178.629 176.300 0.078 0.000 0.987 35 D CA 2.111 56.151 54.000 0.066 0.000 0.829 35 D CB -0.521 40.349 40.800 0.117 0.000 0.961 35 D HN 0.453 nan 8.370 nan 0.000 0.460 36 T N -1.254 113.378 114.554 0.130 0.000 2.942 36 T HA 0.104 4.457 4.350 0.006 0.000 0.265 36 T C 2.099 176.884 174.700 0.142 0.000 1.062 36 T CA 1.148 63.384 62.100 0.227 0.000 1.139 36 T CB -0.184 68.801 68.868 0.194 0.000 0.883 36 T HN 0.052 nan 8.240 nan 0.000 0.468 37 A N 1.360 124.182 122.820 0.004 0.000 1.940 37 A HA -0.163 4.161 4.320 0.006 0.000 0.219 37 A C 2.275 179.859 177.584 -0.001 0.000 1.176 37 A CA 1.817 53.817 52.037 -0.063 0.000 0.631 37 A CB -1.327 17.575 19.000 -0.162 0.000 0.814 37 A HN 0.830 nan 8.150 nan 0.000 0.446 38 H N -2.200 116.777 119.070 -0.156 0.000 2.267 38 H HA -0.219 4.341 4.556 0.006 0.000 0.297 38 H C 1.965 177.131 175.328 -0.270 0.000 1.080 38 H CA 2.140 58.027 56.048 -0.268 0.000 1.278 38 H CB -0.140 29.365 29.762 -0.429 0.000 1.365 38 H HN 0.543 nan 8.280 nan 0.000 0.489 39 Y N 0.021 120.175 120.300 -0.244 0.000 2.274 39 Y HA -0.206 4.348 4.550 0.006 0.000 0.290 39 Y C 3.214 178.920 175.900 -0.324 0.000 1.145 39 Y CA 0.920 58.779 58.100 -0.402 0.000 1.203 39 Y CB -0.977 37.259 38.460 -0.374 0.000 0.984 39 Y HN 0.366 nan 8.280 nan 0.000 0.533 40 C N -0.080 119.264 119.300 0.073 0.000 2.419 40 C HA -0.121 4.343 4.460 0.006 0.000 0.281 40 C C 2.707 177.749 174.990 0.087 0.000 1.336 40 C CA 0.472 59.618 59.018 0.212 0.000 1.770 40 C CB -1.474 26.465 27.740 0.331 0.000 1.929 40 C HN 0.610 nan 8.230 nan 0.000 0.509 41 L N 0.494 121.714 121.223 -0.004 0.000 1.988 41 L HA -0.072 4.271 4.340 0.006 0.000 0.207 41 L C 2.473 179.316 176.870 -0.045 0.000 1.071 41 L CA 2.057 56.889 54.840 -0.014 0.000 0.744 41 L CB -0.793 41.244 42.059 -0.036 0.000 0.893 41 L HN 0.396 nan 8.230 nan 0.000 0.433 42 L N -0.343 120.750 121.223 -0.216 0.000 2.083 42 L HA -0.246 4.097 4.340 0.006 0.000 0.209 42 L C 2.262 179.019 176.870 -0.187 0.000 1.083 42 L CA 1.685 56.235 54.840 -0.483 0.000 0.752 42 L CB -0.811 40.565 42.059 -1.139 0.000 0.899 42 L HN 0.361 nan 8.230 nan 0.000 0.433 43 D N 0.034 120.368 120.400 -0.109 0.000 2.097 43 D HA -0.167 4.476 4.640 0.006 0.000 0.195 43 D C 2.006 178.407 176.300 0.168 0.000 0.989 43 D CA 1.789 55.812 54.000 0.039 0.000 0.827 43 D CB 0.182 40.928 40.800 -0.090 0.000 0.966 43 D HN 0.133 nan 8.370 nan 0.000 0.456 44 T N 0.086 114.736 114.554 0.159 0.000 2.821 44 T HA -0.066 4.288 4.350 0.006 0.000 0.267 44 T C 2.051 176.863 174.700 0.187 0.000 1.046 44 T CA 0.652 62.861 62.100 0.182 0.000 1.139 44 T CB -0.250 68.719 68.868 0.167 0.000 0.871 44 T HN 0.149 nan 8.240 nan 0.000 0.454 45 L N 0.802 122.144 121.223 0.197 0.000 2.046 45 L HA 0.004 4.348 4.340 0.006 0.000 0.208 45 L C 3.036 180.114 176.870 0.346 0.000 1.077 45 L CA 1.348 56.328 54.840 0.233 0.000 0.747 45 L CB -0.957 41.250 42.059 0.246 0.000 0.896 45 L HN 0.362 nan 8.230 nan 0.000 0.432 46 G N -0.989 108.080 108.800 0.447 0.000 2.432 46 G HA2 -0.231 3.732 3.960 0.006 0.000 0.219 46 G HA3 -0.231 3.732 3.960 0.006 0.000 0.219 46 G C 1.542 176.610 174.900 0.280 0.000 1.135 46 G CA 0.901 46.241 45.100 0.400 0.000 0.767 46 G HN 0.431 nan 8.290 nan 0.000 0.550 47 C N 0.741 120.199 119.300 0.263 0.000 2.432 47 C HA 0.165 4.628 4.460 0.006 0.000 0.280 47 C C 3.117 178.228 174.990 0.201 0.000 1.353 47 C CA 0.345 59.513 59.018 0.250 0.000 1.766 47 C CB -0.953 26.930 27.740 0.239 0.000 1.924 47 C HN 0.493 nan 8.230 nan 0.000 0.509 48 G N 0.467 109.380 108.800 0.187 0.000 2.421 48 G HA2 -0.062 3.901 3.960 0.006 0.000 0.217 48 G HA3 -0.062 3.901 3.960 0.006 0.000 0.217 48 G C 1.526 176.511 174.900 0.142 0.000 1.143 48 G CA 0.339 45.527 45.100 0.145 0.000 0.784 48 G HN 0.518 nan 8.290 nan 0.000 0.541 49 L N 0.055 121.387 121.223 0.183 0.000 2.156 49 L HA 0.058 4.402 4.340 0.006 0.000 0.208 49 L C 2.593 179.535 176.870 0.121 0.000 1.095 49 L CA 1.013 55.941 54.840 0.146 0.000 0.770 49 L CB -0.196 41.985 42.059 0.203 0.000 0.914 49 L HN 0.285 nan 8.230 nan 0.000 0.439 50 E N 0.459 120.762 120.200 0.171 0.000 2.347 50 E HA -0.138 4.215 4.350 0.006 0.000 0.196 50 E C 2.103 178.860 176.600 0.262 0.000 1.008 50 E CA 0.749 57.280 56.400 0.220 0.000 0.852 50 E CB 0.186 30.052 29.700 0.276 0.000 0.783 50 E HN 0.461 nan 8.360 nan 0.000 0.505 51 A N 0.595 123.513 122.820 0.164 0.000 2.021 51 A HA -0.001 4.322 4.320 0.006 0.000 0.216 51 A C 2.027 179.674 177.584 0.104 0.000 1.163 51 A CA 0.233 52.329 52.037 0.099 0.000 0.676 51 A CB -0.312 18.703 19.000 0.024 0.000 0.818 51 A HN 0.256 nan 8.150 nan 0.000 0.453 52 L N 0.446 121.705 121.223 0.060 0.000 2.187 52 L HA -0.220 4.124 4.340 0.006 0.000 0.213 52 L C 2.270 179.146 176.870 0.010 0.000 1.100 52 L CA 1.672 56.511 54.840 -0.001 0.000 0.765 52 L CB -0.617 41.424 42.059 -0.030 0.000 0.904 52 L HN 0.673 nan 8.230 nan 0.000 0.437 53 E N -0.930 119.315 120.200 0.074 0.000 2.512 53 E HA -0.120 4.234 4.350 0.006 0.000 0.195 53 E C -0.524 175.944 176.600 -0.221 0.000 1.083 53 E CA 0.140 56.503 56.400 -0.061 0.000 0.873 53 E CB -0.094 29.553 29.700 -0.088 0.000 0.897 53 E HN 0.373 nan 8.360 nan 0.000 0.514 54 Y N 1.291 121.540 120.300 -0.084 0.000 2.356 54 Y HA 0.233 4.786 4.550 0.005 0.000 0.334 54 Y C -1.530 174.282 175.900 -0.147 0.000 0.958 54 Y CA -2.988 55.062 58.100 -0.083 0.000 1.196 54 Y CB 1.579 39.999 38.460 -0.065 0.000 1.137 54 Y HN -0.089 nan 8.280 nan 0.000 0.485 55 P HA -0.230 nan 4.420 nan 0.000 0.219 55 P C 1.099 178.378 177.300 -0.035 0.000 1.146 55 P CA 1.706 64.786 63.100 -0.034 0.000 0.808 55 P CB 0.329 32.017 31.700 -0.019 0.000 0.779 56 A N -0.716 122.126 122.820 0.038 0.000 2.067 56 A HA -0.148 4.176 4.320 0.006 0.000 0.219 56 A C 2.519 179.988 177.584 -0.192 0.000 1.158 56 A CA 1.581 53.681 52.037 0.103 0.000 0.661 56 A CB -1.692 17.528 19.000 0.366 0.000 0.801 56 A HN 0.380 nan 8.150 nan 0.000 0.452 57 C N 0.465 119.366 119.300 -0.665 0.000 2.568 57 C HA 0.085 4.548 4.460 0.006 0.000 0.284 57 C C 2.720 177.339 174.990 -0.620 0.000 1.338 57 C CA 1.150 59.325 59.018 -1.406 0.000 1.724 57 C CB -0.735 25.921 27.740 -1.807 0.000 2.131 57 C HN 0.691 nan 8.230 nan 0.000 0.513 58 K N 1.985 122.178 120.400 -0.345 0.000 2.360 58 K HA -0.213 4.110 4.320 0.006 0.000 0.201 58 K C 1.779 178.316 176.600 -0.104 0.000 1.046 58 K CA 1.880 58.073 56.287 -0.157 0.000 0.940 58 K CB -0.566 31.891 32.500 -0.071 0.000 0.748 58 K HN 0.770 nan 8.250 nan 0.000 0.465 59 K N 1.331 121.658 120.400 -0.121 0.000 2.283 59 K HA -0.049 4.275 4.320 0.006 0.000 0.202 59 K C 1.787 178.334 176.600 -0.088 0.000 1.048 59 K CA 0.893 57.136 56.287 -0.073 0.000 0.948 59 K CB -0.161 32.312 32.500 -0.044 0.000 0.742 59 K HN 0.178 nan 8.250 nan 0.000 0.458 60 L N 1.264 122.418 121.223 -0.115 0.000 2.567 60 L HA 0.218 4.561 4.340 0.006 0.000 0.225 60 L C 0.971 177.839 176.870 -0.003 0.000 1.119 60 L CA -0.261 54.538 54.840 -0.069 0.000 0.871 60 L CB -0.267 41.763 42.059 -0.048 0.000 1.036 60 L HN 0.109 nan 8.230 nan 0.000 0.459 61 L N -0.492 120.672 121.223 -0.099 0.000 2.490 61 L HA 0.553 4.896 4.340 0.006 0.000 0.245 61 L C 1.027 177.633 176.870 -0.439 0.000 1.185 61 L CA 0.104 54.845 54.840 -0.165 0.000 0.813 61 L CB -0.008 42.017 42.059 -0.056 0.000 1.233 61 L HN 0.217 nan 8.230 nan 0.000 0.489 62 G N 0.119 108.307 108.800 -1.020 0.000 2.760 62 G HA2 -0.150 3.814 3.960 0.006 0.000 0.246 62 G HA3 -0.150 3.814 3.960 0.006 0.000 0.246 62 G C -2.799 171.679 174.900 -0.702 0.000 1.359 62 G CA -0.692 43.363 45.100 -1.742 0.000 0.861 62 G HN 0.519 nan 8.290 nan 0.000 0.541 63 P HA 0.377 nan 4.420 nan 0.000 0.274 63 P C 1.123 178.310 177.300 -0.189 0.000 1.256 63 P CA -0.441 62.518 63.100 -0.235 0.000 0.795 63 P CB 0.778 32.397 31.700 -0.135 0.000 1.038 64 I N -0.418 120.064 120.570 -0.146 0.000 2.353 64 I HA -0.073 4.100 4.170 0.006 0.000 0.248 64 I C 0.769 176.825 176.117 -0.101 0.000 1.119 64 I CA 1.288 62.508 61.300 -0.134 0.000 1.417 64 I CB 0.010 37.935 38.000 -0.125 0.000 1.078 64 I HN 0.022 nan 8.210 nan 0.000 0.421 65 V N 2.196 122.061 119.914 -0.081 0.000 2.376 65 V HA 0.289 4.413 4.120 0.006 0.000 0.287 65 V C -2.388 173.682 176.094 -0.040 0.000 1.015 65 V CA -1.655 60.611 62.300 -0.056 0.000 0.834 65 V CB 1.193 32.989 31.823 -0.045 0.000 1.001 65 V HN -0.021 nan 8.190 nan 0.000 0.428 66 P HA 0.246 nan 4.420 nan 0.000 0.261 66 P C 1.007 178.310 177.300 0.005 0.000 1.183 66 P CA 1.389 64.486 63.100 -0.005 0.000 0.761 66 P CB 0.586 32.286 31.700 0.002 0.000 0.785 67 G N 1.560 110.372 108.800 0.020 0.000 2.218 67 G HA2 -0.203 3.761 3.960 0.006 0.000 0.216 67 G HA3 -0.203 3.761 3.960 0.006 0.000 0.216 67 G C 0.366 175.276 174.900 0.017 0.000 0.994 67 G CA -0.139 44.973 45.100 0.019 0.000 0.637 67 G HN 0.584 nan 8.290 nan 0.000 0.505 68 T N 1.120 115.679 114.554 0.009 0.000 2.933 68 T HA 0.395 4.748 4.350 0.006 0.000 0.306 68 T C 0.299 175.011 174.700 0.020 0.000 1.045 68 T CA 0.708 62.811 62.100 0.005 0.000 1.143 68 T CB 1.958 70.819 68.868 -0.012 0.000 1.003 68 T HN 0.671 nan 8.240 nan 0.000 0.540 69 V N 4.639 124.565 119.914 0.020 0.000 2.349 69 V HA 0.307 4.431 4.120 0.006 0.000 0.284 69 V C -0.094 176.019 176.094 0.033 0.000 1.014 69 V CA -0.790 61.528 62.300 0.031 0.000 0.826 69 V CB 1.578 33.419 31.823 0.029 0.000 1.009 69 V HN 0.706 nan 8.190 nan 0.000 0.431 70 V N 7.024 126.963 119.914 0.042 0.000 2.370 70 V HA 0.376 4.499 4.120 0.006 0.000 0.279 70 V C -2.163 173.977 176.094 0.078 0.000 1.029 70 V CA -1.992 60.338 62.300 0.050 0.000 0.870 70 V CB 1.469 33.315 31.823 0.038 0.000 0.984 70 V HN 0.702 nan 8.190 nan 0.000 0.451 71 P HA 0.153 nan 4.420 nan 0.000 0.265 71 P C 0.307 177.692 177.300 0.143 0.000 1.193 71 P CA 0.090 63.248 63.100 0.097 0.000 0.765 71 P CB 0.143 31.897 31.700 0.091 0.000 0.823 72 N N -0.038 118.733 118.700 0.119 0.000 2.710 72 N HA -0.159 4.584 4.740 0.006 0.000 0.249 72 N C 0.684 176.332 175.510 0.230 0.000 1.059 72 N CA 1.360 54.495 53.050 0.141 0.000 0.720 72 N CB -1.650 36.902 38.487 0.108 0.000 0.983 72 N HN 0.666 nan 8.380 nan 0.000 0.544 73 G N -0.512 108.395 108.800 0.178 0.000 2.664 73 G HA2 0.327 4.291 3.960 0.006 0.000 0.242 73 G HA3 0.327 4.291 3.960 0.006 0.000 0.242 73 G C 0.437 175.439 174.900 0.170 0.000 1.225 73 G CA -0.369 44.831 45.100 0.166 0.000 0.849 73 G HN 0.136 nan 8.290 nan 0.000 0.581 74 V N 1.989 121.991 119.914 0.147 0.000 2.555 74 V HA 0.189 4.312 4.120 0.006 0.000 0.286 74 V C 0.269 176.437 176.094 0.124 0.000 1.044 74 V CA -0.460 61.924 62.300 0.141 0.000 1.026 74 V CB 1.106 32.998 31.823 0.114 0.000 0.981 74 V HN 0.537 nan 8.190 nan 0.000 0.480 75 R N 3.903 124.472 120.500 0.116 0.000 2.296 75 R HA 0.283 4.626 4.340 0.006 0.000 0.327 75 R C -0.664 175.703 176.300 0.113 0.000 1.137 75 R CA -0.517 55.649 56.100 0.111 0.000 1.020 75 R CB 0.414 30.770 30.300 0.094 0.000 1.110 75 R HN 0.495 nan 8.270 nan 0.000 0.499 76 V N 6.091 126.090 119.914 0.142 0.000 2.458 76 V HA 0.023 4.146 4.120 0.006 0.000 0.287 76 V C -1.755 174.415 176.094 0.126 0.000 1.009 76 V CA -1.080 61.305 62.300 0.141 0.000 1.091 76 V CB 0.077 32.033 31.823 0.223 0.000 0.960 76 V HN 0.432 nan 8.190 nan 0.000 0.476 77 P HA 0.117 nan 4.420 nan 0.000 0.261 77 P C 1.004 178.432 177.300 0.213 0.000 1.173 77 P CA 1.582 64.780 63.100 0.164 0.000 0.760 77 P CB 0.409 32.114 31.700 0.010 0.000 0.783 78 G N 1.302 110.291 108.800 0.315 0.000 2.162 78 G HA2 -0.216 3.747 3.960 0.006 0.000 0.260 78 G HA3 -0.216 3.747 3.960 0.006 0.000 0.260 78 G C 0.367 175.228 174.900 -0.065 0.000 0.976 78 G CA 0.577 45.735 45.100 0.096 0.000 0.655 78 G HN 0.861 nan 8.290 nan 0.000 0.533 79 T N -4.472 110.051 114.554 -0.053 0.000 2.591 79 T HA 0.650 5.003 4.350 0.006 0.000 0.274 79 T C 0.534 175.085 174.700 -0.248 0.000 0.945 79 T CA 0.608 62.557 62.100 -0.253 0.000 1.087 79 T CB 1.635 70.253 68.868 -0.416 0.000 1.416 79 T HN 0.577 nan 8.240 nan 0.000 0.514 80 Q N -0.119 119.398 119.800 -0.472 0.000 2.118 80 Q HA 0.291 4.634 4.340 0.006 0.000 0.219 80 Q C -0.884 175.002 176.000 -0.191 0.000 0.794 80 Q CA -0.396 55.245 55.803 -0.271 0.000 1.035 80 Q CB -0.307 28.285 28.738 -0.243 0.000 1.177 80 Q HN 0.546 nan 8.270 nan 0.000 0.478 81 F N 2.409 122.368 119.950 0.016 0.000 2.450 81 F HA 0.324 4.854 4.527 0.005 0.000 0.339 81 F C 0.745 176.560 175.800 0.025 0.000 1.146 81 F CA -0.150 57.858 58.000 0.014 0.000 1.267 81 F CB 0.654 39.658 39.000 0.008 0.000 1.178 81 F HN -0.019 nan 8.300 nan 0.000 0.585 82 Q N 3.325 123.267 119.800 0.236 0.000 3.255 82 Q HA 0.414 4.757 4.340 0.006 0.000 0.231 82 Q C -1.142 174.922 176.000 0.106 0.000 0.935 82 Q CA -0.217 55.672 55.803 0.144 0.000 0.714 82 Q CB 1.333 30.138 28.738 0.111 0.000 1.345 82 Q HN 0.532 nan 8.270 nan 0.000 0.463 83 L N -0.186 121.087 121.223 0.083 0.000 2.440 83 L HA 0.512 4.855 4.340 0.006 0.000 0.262 83 L C 0.391 177.243 176.870 -0.030 0.000 1.072 83 L CA -1.134 53.714 54.840 0.013 0.000 0.798 83 L CB 0.545 42.593 42.059 -0.019 0.000 1.307 83 L HN 0.434 nan 8.230 nan 0.000 0.475 84 D N -0.761 119.580 120.400 -0.098 0.000 2.344 84 D HA 0.146 4.790 4.640 0.006 0.000 0.244 84 D C -1.928 174.218 176.300 -0.256 0.000 1.134 84 D CA -1.632 52.235 54.000 -0.223 0.000 0.930 84 D CB 0.314 40.979 40.800 -0.225 0.000 1.175 84 D HN 0.218 nan 8.370 nan 0.000 0.437 85 P HA -0.246 nan 4.420 nan 0.000 0.216 85 P C 1.482 178.679 177.300 -0.172 0.000 1.154 85 P CA 0.909 63.822 63.100 -0.311 0.000 0.865 85 P CB 0.064 31.450 31.700 -0.524 0.000 0.789 86 V N 0.036 119.832 119.914 -0.195 0.000 2.427 86 V HA -0.207 3.916 4.120 0.006 0.000 0.248 86 V C 2.973 179.042 176.094 -0.041 0.000 1.051 86 V CA 2.112 64.349 62.300 -0.105 0.000 1.048 86 V CB -1.313 30.439 31.823 -0.118 0.000 0.666 86 V HN 0.126 nan 8.190 nan 0.000 0.456 87 Q N 0.090 119.854 119.800 -0.059 0.000 2.163 87 Q HA 0.056 4.399 4.340 0.006 0.000 0.198 87 Q C 2.149 178.176 176.000 0.045 0.000 0.954 87 Q CA 1.579 57.377 55.803 -0.008 0.000 0.851 87 Q CB -0.463 28.235 28.738 -0.066 0.000 0.928 87 Q HN 0.564 nan 8.270 nan 0.000 0.459 88 A N 0.425 123.246 122.820 0.002 0.000 1.940 88 A HA -0.113 4.211 4.320 0.006 0.000 0.219 88 A C 2.263 179.872 177.584 0.042 0.000 1.176 88 A CA 1.823 53.876 52.037 0.026 0.000 0.631 88 A CB -1.159 17.856 19.000 0.024 0.000 0.814 88 A HN 0.490 nan 8.150 nan 0.000 0.446 89 A N -0.892 121.954 122.820 0.044 0.000 1.883 89 A HA -0.085 4.238 4.320 0.006 0.000 0.217 89 A C 2.051 179.687 177.584 0.085 0.000 1.186 89 A CA 1.760 53.832 52.037 0.057 0.000 0.624 89 A CB -0.791 18.239 19.000 0.051 0.000 0.822 89 A HN 0.760 nan 8.150 nan 0.000 0.444 90 F N 1.555 121.497 119.950 -0.014 0.000 2.069 90 F HA -0.223 4.308 4.527 0.005 0.000 0.298 90 F C 2.096 177.904 175.800 0.013 0.000 1.113 90 F CA 2.089 60.089 58.000 -0.000 0.000 1.214 90 F CB -0.743 38.227 39.000 -0.050 0.000 0.978 90 F HN 0.326 nan 8.300 nan 0.000 0.474 91 N N 0.797 119.409 118.700 -0.146 0.000 2.018 91 N HA -0.264 4.479 4.740 0.006 0.000 0.196 91 N C 2.053 177.459 175.510 -0.173 0.000 1.043 91 N CA 2.150 55.059 53.050 -0.234 0.000 0.856 91 N CB -0.448 38.008 38.487 -0.051 0.000 1.042 91 N HN 0.332 nan 8.380 nan 0.000 0.423 92 I N 1.129 121.664 120.570 -0.058 0.000 2.118 92 I HA -0.236 3.938 4.170 0.006 0.000 0.241 92 I C 2.691 178.793 176.117 -0.025 0.000 1.070 92 I CA 1.487 62.779 61.300 -0.014 0.000 1.327 92 I CB -0.926 37.087 38.000 0.020 0.000 1.034 92 I HN 0.250 nan 8.210 nan 0.000 0.405 93 G N 0.567 109.344 108.800 -0.038 0.000 2.440 93 G HA2 -0.128 3.835 3.960 0.006 0.000 0.218 93 G HA3 -0.128 3.835 3.960 0.006 0.000 0.218 93 G C 1.018 175.907 174.900 -0.019 0.000 1.154 93 G CA 0.728 45.822 45.100 -0.008 0.000 0.767 93 G HN 0.526 nan 8.290 nan 0.000 0.552 97 R N 1.143 121.691 120.500 0.079 0.000 2.282 97 R HA 0.148 4.492 4.340 0.006 0.000 0.195 97 R C 1.664 177.945 176.300 -0.032 0.000 0.909 97 R CA 0.659 56.762 56.100 0.005 0.000 1.039 97 R CB -0.613 29.699 30.300 0.021 0.000 1.015 97 R HN 0.645 nan 8.270 nan 0.000 0.513 98 W N 1.067 122.299 121.300 -0.113 0.000 2.289 98 W HA -0.276 4.387 4.660 0.005 0.000 0.331 98 W C 0.918 177.272 176.519 -0.276 0.000 1.283 98 W CA 1.854 59.110 57.345 -0.149 0.000 1.252 98 W CB -0.438 28.945 29.460 -0.127 0.000 1.153 98 W HN 0.137 nan 8.180 nan 0.000 0.467 99 L N 0.385 121.506 121.223 -0.170 0.000 2.552 99 L HA -0.109 4.234 4.340 0.006 0.000 0.227 99 L C 0.589 176.963 176.870 -0.827 0.000 1.146 99 L CA 1.226 55.721 54.840 -0.574 0.000 0.858 99 L CB -0.834 40.793 42.059 -0.720 0.000 0.969 99 L HN 0.049 nan 8.230 nan 0.000 0.451 100 D N -1.149 118.948 120.400 -0.505 0.000 2.775 100 D HA -0.241 4.402 4.640 0.006 0.000 0.235 100 D C 0.110 176.259 176.300 -0.251 0.000 1.120 100 D CA 0.461 54.226 54.000 -0.392 0.000 0.708 100 D CB -1.147 39.464 40.800 -0.315 0.000 1.084 100 D HN 0.163 nan 8.370 nan 0.000 0.434 101 F N 0.306 120.244 119.950 -0.021 0.000 2.639 101 F HA 0.334 4.864 4.527 0.005 0.000 0.302 101 F C 1.556 177.403 175.800 0.079 0.000 1.097 101 F CA -0.747 57.272 58.000 0.032 0.000 1.294 101 F CB -0.520 38.508 39.000 0.047 0.000 1.027 101 F HN 0.040 nan 8.300 nan 0.000 0.550 102 N N 1.397 120.199 118.700 0.170 0.000 2.371 102 N HA -0.014 4.729 4.740 0.006 0.000 0.243 102 N C -0.112 175.557 175.510 0.265 0.000 1.287 102 N CA -0.355 52.795 53.050 0.167 0.000 0.911 102 N CB 0.623 39.117 38.487 0.011 0.000 1.142 102 N HN 0.087 nan 8.380 nan 0.000 0.451 103 D N -0.011 120.576 120.400 0.311 0.000 2.361 103 D HA 0.075 4.718 4.640 0.006 0.000 0.239 103 D C -0.718 175.740 176.300 0.264 0.000 1.200 103 D CA 0.322 54.482 54.000 0.267 0.000 0.915 103 D CB 0.676 41.562 40.800 0.143 0.000 1.170 103 D HN 0.233 nan 8.370 nan 0.000 0.444 104 T N 0.512 115.110 114.554 0.072 0.000 2.906 104 T HA 0.395 4.748 4.350 0.006 0.000 0.295 104 T C -1.374 173.236 174.700 -0.149 0.000 1.061 104 T CA -0.882 61.197 62.100 -0.035 0.000 1.000 104 T CB 1.519 70.332 68.868 -0.093 0.000 1.103 104 T HN 0.556 nan 8.240 nan 0.000 0.486 105 W N 4.719 125.765 121.300 -0.423 0.000 2.591 105 W HA 0.479 5.142 4.660 0.006 0.000 0.311 105 W C -1.987 174.310 176.519 -0.369 0.000 1.003 105 W CA -0.886 56.230 57.345 -0.382 0.000 1.332 105 W CB 0.544 29.834 29.460 -0.283 0.000 1.272 105 W HN 0.484 nan 8.180 nan 0.000 0.412 106 L N 6.428 127.201 121.223 -0.750 0.000 2.319 106 L HA 0.650 4.993 4.340 0.006 0.000 0.280 106 L C 0.467 176.980 176.870 -0.595 0.000 1.099 106 L CA 0.100 54.504 54.840 -0.726 0.000 0.828 106 L CB 0.678 42.281 42.059 -0.760 0.000 1.150 106 L HN 0.506 nan 8.230 nan 0.000 0.442 107 A N 2.406 125.175 122.820 -0.085 0.000 2.806 107 A HA 0.707 5.030 4.320 0.006 0.000 0.310 107 A C 0.607 178.317 177.584 0.211 0.000 1.169 107 A CA 0.185 52.200 52.037 -0.037 0.000 0.621 107 A CB 0.085 19.012 19.000 -0.122 0.000 1.412 107 A HN 0.611 nan 8.150 nan 0.000 0.576 108 A N -0.962 121.947 122.820 0.148 0.000 1.986 108 A HA 0.136 4.459 4.320 0.006 0.000 0.220 108 A C 0.779 178.449 177.584 0.143 0.000 1.171 108 A CA 2.679 54.791 52.037 0.126 0.000 0.640 108 A CB -0.357 18.693 19.000 0.083 0.000 0.811 108 A HN 0.860 nan 8.150 nan 0.000 0.451 109 E N -1.018 119.315 120.200 0.222 0.000 2.244 109 E HA 0.430 4.783 4.350 0.006 0.000 0.260 109 E C -1.124 175.680 176.600 0.340 0.000 0.884 109 E CA -0.810 55.747 56.400 0.261 0.000 0.777 109 E CB 0.378 30.295 29.700 0.362 0.000 1.197 109 E HN 0.313 nan 8.360 nan 0.000 0.416 110 W N 2.840 124.137 121.300 -0.004 0.000 2.093 110 W HA 0.650 5.313 4.660 0.005 0.000 0.352 110 W C 0.913 177.222 176.519 -0.351 0.000 1.294 110 W CA 0.169 57.431 57.345 -0.138 0.000 1.290 110 W CB 0.904 30.297 29.460 -0.111 0.000 1.149 110 W HN 0.652 nan 8.180 nan 0.000 0.606 111 G N 0.026 108.633 108.800 -0.322 0.000 2.349 111 G HA2 0.314 4.278 3.960 0.006 0.000 0.294 111 G HA3 0.314 4.278 3.960 0.006 0.000 0.294 111 G C -2.005 172.463 174.900 -0.719 0.000 1.380 111 G CA -0.957 43.741 45.100 -0.671 0.000 0.811 111 G HN 0.490 nan 8.290 nan 0.000 0.519 112 H N 1.144 120.165 119.070 -0.082 0.000 2.448 112 H HA 0.268 4.827 4.556 0.006 0.000 0.237 112 H C -1.912 173.358 175.328 -0.096 0.000 1.391 112 H CA -1.262 54.760 56.048 -0.043 0.000 1.477 112 H CB 1.977 31.757 29.762 0.030 0.000 1.520 112 H HN 0.323 nan 8.280 nan 0.000 0.502 113 P HA -0.193 nan 4.420 nan 0.000 0.219 113 P C 1.401 178.498 177.300 -0.339 0.000 1.144 113 P CA 1.172 63.993 63.100 -0.465 0.000 0.806 113 P CB 0.180 31.253 31.700 -1.046 0.000 0.771 114 S N -1.546 114.098 115.700 -0.093 0.000 2.555 114 S HA -0.082 4.392 4.470 0.006 0.000 0.230 114 S C 1.469 176.155 174.600 0.143 0.000 0.978 114 S CA 0.588 58.909 58.200 0.200 0.000 0.934 114 S CB -0.863 62.492 63.200 0.258 0.000 0.766 114 S HN 0.046 nan 8.310 nan 0.000 0.533 115 D N 2.577 123.040 120.400 0.105 0.000 2.219 115 D HA -0.034 4.610 4.640 0.006 0.000 0.205 115 D C 1.484 177.835 176.300 0.084 0.000 0.970 115 D CA 0.623 54.686 54.000 0.105 0.000 0.851 115 D CB -0.449 40.426 40.800 0.126 0.000 0.943 115 D HN 0.446 nan 8.370 nan 0.000 0.488 116 N N 0.986 119.730 118.700 0.073 0.000 2.519 116 N HA -0.104 4.639 4.740 0.006 0.000 0.186 116 N C 1.841 177.393 175.510 0.070 0.000 1.062 116 N CA 0.012 53.098 53.050 0.060 0.000 0.910 116 N CB -0.008 38.510 38.487 0.053 0.000 0.958 116 N HN 0.249 nan 8.380 nan 0.000 0.445 117 L N 1.221 122.498 121.223 0.090 0.000 2.265 117 L HA -0.080 4.264 4.340 0.006 0.000 0.215 117 L C 1.925 178.833 176.870 0.063 0.000 1.117 117 L CA 1.211 56.099 54.840 0.080 0.000 0.782 117 L CB -1.131 40.985 42.059 0.095 0.000 0.914 117 L HN 0.066 nan 8.230 nan 0.000 0.441 118 G N -0.373 108.464 108.800 0.060 0.000 2.453 118 G HA2 -0.250 3.714 3.960 0.006 0.000 0.215 118 G HA3 -0.250 3.714 3.960 0.006 0.000 0.215 118 G C 1.477 176.406 174.900 0.049 0.000 1.201 118 G CA 0.638 45.767 45.100 0.050 0.000 0.784 118 G HN 0.502 nan 8.290 nan 0.000 0.545 119 G N 0.523 109.351 108.800 0.047 0.000 2.443 119 G HA2 -0.072 3.892 3.960 0.006 0.000 0.219 119 G HA3 -0.072 3.892 3.960 0.006 0.000 0.219 119 G C 1.765 176.693 174.900 0.047 0.000 1.131 119 G CA 0.656 45.780 45.100 0.041 0.000 0.775 119 G HN 0.448 nan 8.290 nan 0.000 0.547 120 I N 0.049 120.647 120.570 0.047 0.000 2.163 120 I HA -0.103 4.071 4.170 0.006 0.000 0.240 120 I C 2.706 178.857 176.117 0.058 0.000 1.081 120 I CA 0.745 62.073 61.300 0.047 0.000 1.353 120 I CB -0.206 37.819 38.000 0.041 0.000 1.054 120 I HN 0.107 nan 8.210 nan 0.000 0.407 121 L N 0.394 121.652 121.223 0.058 0.000 2.056 121 L HA -0.193 4.150 4.340 0.006 0.000 0.207 121 L C 2.843 179.764 176.870 0.086 0.000 1.078 121 L CA 1.338 56.217 54.840 0.065 0.000 0.749 121 L CB -0.553 41.539 42.059 0.054 0.000 0.901 121 L HN 0.259 nan 8.230 nan 0.000 0.433 122 A N -0.597 122.272 122.820 0.081 0.000 1.877 122 A HA -0.217 4.106 4.320 0.006 0.000 0.216 122 A C 2.302 179.976 177.584 0.151 0.000 1.186 122 A CA 2.427 54.520 52.037 0.093 0.000 0.620 122 A CB -0.922 18.110 19.000 0.053 0.000 0.822 122 A HN 0.384 nan 8.150 nan 0.000 0.443 123 T N 0.121 114.762 114.554 0.144 0.000 2.777 123 T HA 0.032 4.385 4.350 0.006 0.000 0.266 123 T C 2.232 177.070 174.700 0.229 0.000 1.040 123 T CA 1.531 63.767 62.100 0.227 0.000 1.141 123 T CB -0.429 68.533 68.868 0.158 0.000 0.868 123 T HN 0.590 nan 8.240 nan 0.000 0.444 124 A N 1.518 124.421 122.820 0.138 0.000 1.877 124 A HA -0.139 4.184 4.320 0.006 0.000 0.216 124 A C 2.094 179.741 177.584 0.104 0.000 1.186 124 A CA 2.079 54.174 52.037 0.095 0.000 0.620 124 A CB -0.899 18.139 19.000 0.064 0.000 0.822 124 A HN 0.506 nan 8.150 nan 0.000 0.443 125 D N -1.825 118.654 120.400 0.133 0.000 2.117 125 D HA -0.208 4.435 4.640 0.006 0.000 0.197 125 D C 1.612 178.017 176.300 0.175 0.000 0.987 125 D CA 1.600 55.681 54.000 0.135 0.000 0.829 125 D CB -0.258 40.625 40.800 0.137 0.000 0.961 125 D HN 0.609 nan 8.370 nan 0.000 0.460 126 W N 0.877 122.193 121.300 0.026 0.000 2.358 126 W HA -0.057 4.607 4.660 0.006 0.000 0.303 126 W C 1.766 178.295 176.519 0.017 0.000 1.208 126 W CA 1.155 58.514 57.345 0.022 0.000 1.274 126 W CB -0.546 28.926 29.460 0.020 0.000 1.138 126 W HN 0.023 nan 8.180 nan 0.000 0.515 127 L N 0.126 121.267 121.223 -0.137 0.000 2.046 127 L HA -0.252 4.091 4.340 0.006 0.000 0.208 127 L C 2.619 179.351 176.870 -0.230 0.000 1.077 127 L CA 1.717 56.353 54.840 -0.341 0.000 0.747 127 L CB -1.176 40.791 42.059 -0.153 0.000 0.896 127 L HN -0.117 nan 8.230 nan 0.000 0.432 128 S N -0.284 115.358 115.700 -0.097 0.000 2.348 128 S HA -0.156 4.317 4.470 0.006 0.000 0.221 128 S C 1.989 176.548 174.600 -0.068 0.000 1.033 128 S CA 1.156 59.320 58.200 -0.061 0.000 1.010 128 S CB -0.255 62.941 63.200 -0.006 0.000 0.891 128 S HN 0.361 nan 8.310 nan 0.000 0.442 129 R N 1.070 121.543 120.500 -0.046 0.000 2.159 129 R HA -0.026 4.317 4.340 0.006 0.000 0.237 129 R C 1.925 178.174 176.300 -0.085 0.000 1.131 129 R CA 1.300 57.383 56.100 -0.028 0.000 0.982 129 R CB -0.347 29.975 30.300 0.037 0.000 0.868 129 R HN 0.333 nan 8.270 nan 0.000 0.453 130 N N 0.526 119.107 118.700 -0.199 0.000 2.135 130 N HA -0.067 4.677 4.740 0.006 0.000 0.186 130 N C 1.667 177.078 175.510 -0.164 0.000 1.027 130 N CA 1.361 54.267 53.050 -0.240 0.000 0.849 130 N CB -0.161 38.038 38.487 -0.480 0.000 1.002 130 N HN 0.178 nan 8.380 nan 0.000 0.425 131 A N 0.189 122.912 122.820 -0.161 0.000 1.908 131 A HA -0.127 4.196 4.320 0.006 0.000 0.218 131 A C 2.322 179.861 177.584 -0.074 0.000 1.181 131 A CA 1.439 53.410 52.037 -0.112 0.000 0.627 131 A CB -0.949 17.991 19.000 -0.100 0.000 0.818 131 A HN 0.133 nan 8.150 nan 0.000 0.445 132 V N -0.221 119.655 119.914 -0.062 0.000 2.261 132 V HA -0.260 3.864 4.120 0.006 0.000 0.246 132 V C 3.074 179.147 176.094 -0.034 0.000 1.047 132 V CA 2.012 64.289 62.300 -0.038 0.000 1.015 132 V CB -1.283 30.526 31.823 -0.024 0.000 0.642 132 V HN 0.628 nan 8.190 nan 0.000 0.446 133 A N 0.475 123.272 122.820 -0.038 0.000 1.986 133 A HA -0.192 4.131 4.320 0.006 0.000 0.220 133 A C 2.204 179.769 177.584 -0.031 0.000 1.171 133 A CA 2.254 54.274 52.037 -0.028 0.000 0.640 133 A CB -0.536 18.449 19.000 -0.026 0.000 0.811 133 A HN 0.735 nan 8.150 nan 0.000 0.451 134 S N -2.582 113.091 115.700 -0.045 0.000 2.575 134 S HA 0.439 4.913 4.470 0.006 0.000 0.237 134 S C 1.252 175.829 174.600 -0.037 0.000 0.975 134 S CA 0.898 59.073 58.200 -0.041 0.000 0.960 134 S CB -0.162 63.006 63.200 -0.054 0.000 0.822 134 S HN 1.888 nan 8.310 nan 0.000 0.472 135 G N 0.739 109.519 108.800 -0.034 0.000 2.189 135 G HA2 -0.305 3.659 3.960 0.006 0.000 0.267 135 G HA3 -0.305 3.659 3.960 0.006 0.000 0.267 135 G C 0.159 175.038 174.900 -0.034 0.000 0.975 135 G CA 0.617 45.700 45.100 -0.030 0.000 0.644 135 G HN 0.580 nan 8.290 nan 0.000 0.537 136 K N 0.543 120.917 120.400 -0.044 0.000 2.117 136 K HA 0.756 5.080 4.320 0.006 0.000 0.240 136 K C 0.725 177.298 176.600 -0.046 0.000 1.031 136 K CA 0.365 56.623 56.287 -0.047 0.000 0.909 136 K CB 0.675 33.140 32.500 -0.059 0.000 1.097 136 K HN 0.662 nan 8.250 nan 0.000 0.492 137 A N 2.636 125.430 122.820 -0.045 0.000 2.362 137 A HA 0.350 4.674 4.320 0.006 0.000 0.276 137 A C -2.006 175.550 177.584 -0.047 0.000 1.153 137 A CA -1.190 50.822 52.037 -0.041 0.000 0.813 137 A CB -0.540 18.437 19.000 -0.037 0.000 1.081 137 A HN 0.527 nan 8.150 nan 0.000 0.507 138 P HA 0.372 nan 4.420 nan 0.000 0.274 138 P C -0.709 176.570 177.300 -0.034 0.000 1.256 138 P CA -0.405 62.672 63.100 -0.039 0.000 0.795 138 P CB 0.530 32.215 31.700 -0.024 0.000 1.038 139 L N 0.415 121.620 121.223 -0.029 0.000 2.456 139 L HA 0.415 4.759 4.340 0.006 0.000 0.257 139 L C 1.490 178.349 176.870 -0.018 0.000 1.162 139 L CA 0.314 55.140 54.840 -0.024 0.000 0.808 139 L CB 0.250 42.299 42.059 -0.016 0.000 1.136 139 L HN 0.565 nan 8.230 nan 0.000 0.466 143 Q N 0.664 120.449 119.800 -0.026 0.000 2.224 143 Q HA -0.026 4.318 4.340 0.006 0.000 0.203 143 Q C 1.850 177.847 176.000 -0.004 0.000 0.970 143 Q CA 1.706 57.502 55.803 -0.010 0.000 0.865 143 Q CB 0.191 28.917 28.738 -0.020 0.000 0.922 143 Q HN 0.327 nan 8.270 nan 0.000 0.445 144 V N -1.126 118.780 119.914 -0.013 0.000 2.591 144 V HA -0.143 3.981 4.120 0.006 0.000 0.249 144 V C 1.789 177.872 176.094 -0.018 0.000 1.053 144 V CA 0.982 63.276 62.300 -0.010 0.000 1.068 144 V CB -0.179 31.639 31.823 -0.009 0.000 0.689 144 V HN 0.218 nan 8.190 nan 0.000 0.462 145 L N 1.095 122.310 121.223 -0.013 0.000 2.046 145 L HA -0.075 4.269 4.340 0.006 0.000 0.208 145 L C 2.738 179.589 176.870 -0.032 0.000 1.077 145 L CA 2.776 57.611 54.840 -0.009 0.000 0.747 145 L CB -1.131 40.963 42.059 0.060 0.000 0.896 145 L HN 0.412 nan 8.230 nan 0.000 0.432 146 T N -0.531 114.047 114.554 0.040 0.000 2.857 146 T HA 0.043 4.397 4.350 0.006 0.000 0.266 146 T C 1.074 175.740 174.700 -0.056 0.000 1.048 146 T CA 0.692 62.791 62.100 -0.001 0.000 1.139 146 T CB -0.285 68.632 68.868 0.082 0.000 0.874 146 T HN 0.407 nan 8.240 nan 0.000 0.455 150 K N 1.873 122.285 120.400 0.020 0.000 2.097 150 K HA 0.100 4.423 4.320 0.006 0.000 0.205 150 K C 2.025 178.711 176.600 0.144 0.000 1.050 150 K CA 1.722 58.094 56.287 0.141 0.000 0.938 150 K CB -0.090 32.393 32.500 -0.028 0.000 0.718 150 K HN 0.420 nan 8.250 nan 0.000 0.442 151 A N 0.100 122.964 122.820 0.073 0.000 1.929 151 A HA -0.156 4.168 4.320 0.006 0.000 0.216 151 A C 1.659 179.280 177.584 0.061 0.000 1.176 151 A CA 1.440 53.511 52.037 0.056 0.000 0.628 151 A CB -0.638 18.399 19.000 0.062 0.000 0.816 151 A HN 0.258 nan 8.150 nan 0.000 0.444 152 H N -0.719 118.297 119.070 -0.090 0.000 2.353 152 H HA -0.070 4.490 4.556 0.006 0.000 0.300 152 H C 2.106 177.303 175.328 -0.219 0.000 1.090 152 H CA 1.819 57.761 56.048 -0.177 0.000 1.327 152 H CB -0.034 29.599 29.762 -0.215 0.000 1.383 152 H HN 0.545 nan 8.280 nan 0.000 0.508 153 E N 0.335 120.533 120.200 -0.003 0.000 2.047 153 E HA -0.093 4.260 4.350 0.006 0.000 0.191 153 E C 2.199 178.749 176.600 -0.084 0.000 0.987 153 E CA 1.059 57.422 56.400 -0.061 0.000 0.799 153 E CB -0.270 29.412 29.700 -0.030 0.000 0.752 153 E HN 0.443 nan 8.360 nan 0.000 0.449 154 I N 0.422 120.898 120.570 -0.157 0.000 2.127 154 I HA -0.318 3.855 4.170 0.006 0.000 0.241 154 I C 2.741 178.847 176.117 -0.019 0.000 1.075 154 I CA 1.662 62.826 61.300 -0.227 0.000 1.334 154 I CB -0.416 37.448 38.000 -0.227 0.000 1.040 154 I HN 0.265 nan 8.210 nan 0.000 0.405 155 Q N 0.975 120.746 119.800 -0.048 0.000 2.050 155 Q HA -0.170 4.173 4.340 0.006 0.000 0.202 155 Q C 2.247 178.260 176.000 0.021 0.000 0.980 155 Q CA 1.994 57.782 55.803 -0.024 0.000 0.840 155 Q CB -0.319 28.375 28.738 -0.074 0.000 0.898 155 Q HN 0.548 nan 8.270 nan 0.000 0.424 156 G N -0.064 108.668 108.800 -0.114 0.000 2.408 156 G HA2 -0.248 3.715 3.960 0.006 0.000 0.217 156 G HA3 -0.248 3.715 3.960 0.006 0.000 0.217 156 G C 1.440 176.474 174.900 0.224 0.000 1.150 156 G CA 0.909 45.903 45.100 -0.176 0.000 0.776 156 G HN 0.467 nan 8.290 nan 0.000 0.542 157 C N 0.185 119.607 119.300 0.203 0.000 2.450 157 C HA 0.187 4.650 4.460 0.006 0.000 0.279 157 C C 2.806 177.990 174.990 0.322 0.000 1.335 157 C CA 0.130 59.331 59.018 0.305 0.000 1.749 157 C CB -0.789 27.140 27.740 0.314 0.000 1.963 157 C HN 0.463 nan 8.230 nan 0.000 0.501 158 I N 1.301 122.072 120.570 0.335 0.000 2.353 158 I HA -0.130 4.043 4.170 0.006 0.000 0.248 158 I C 2.593 178.805 176.117 0.157 0.000 1.119 158 I CA 1.442 62.874 61.300 0.220 0.000 1.417 158 I CB -0.429 37.705 38.000 0.224 0.000 1.078 158 I HN 0.232 nan 8.210 nan 0.000 0.421 159 A N 0.560 123.539 122.820 0.265 0.000 2.209 159 A HA 0.001 4.324 4.320 0.006 0.000 0.212 159 A C 2.223 179.958 177.584 0.251 0.000 1.158 159 A CA 0.615 52.834 52.037 0.303 0.000 0.742 159 A CB -0.533 18.680 19.000 0.354 0.000 0.790 159 A HN 0.356 nan 8.150 nan 0.000 0.472 160 L N -1.432 119.939 121.223 0.247 0.000 2.012 160 L HA -0.171 4.172 4.340 0.006 0.000 0.210 160 L C 2.182 179.107 176.870 0.092 0.000 1.073 160 L CA 1.840 56.794 54.840 0.189 0.000 0.748 160 L CB -0.131 42.051 42.059 0.205 0.000 0.891 160 L HN 0.407 nan 8.230 nan 0.000 0.431 161 E N -1.658 118.563 120.200 0.035 0.000 2.641 161 E HA 0.132 4.485 4.350 0.006 0.000 0.224 161 E C -0.516 176.071 176.600 -0.022 0.000 0.951 161 E CA -0.174 56.224 56.400 -0.004 0.000 1.102 161 E CB 0.705 30.386 29.700 -0.032 0.000 1.091 161 E HN 0.290 nan 8.360 nan 0.000 0.507 162 N N 0.872 119.551 118.700 -0.034 0.000 2.476 162 N HA 0.120 4.863 4.740 0.006 0.000 0.257 162 N C -1.245 174.204 175.510 -0.101 0.000 0.970 162 N CA -0.109 52.901 53.050 -0.067 0.000 0.938 162 N CB 1.940 40.257 38.487 -0.285 0.000 1.144 162 N HN -0.121 nan 8.380 nan 0.000 0.500 163 S N 2.174 117.836 115.700 -0.064 0.000 2.422 163 S HA 0.387 4.860 4.470 0.006 0.000 0.298 163 S C 0.410 175.000 174.600 -0.015 0.000 1.118 163 S CA -0.563 57.636 58.200 -0.002 0.000 1.083 163 S CB 0.071 63.266 63.200 -0.008 0.000 0.971 163 S HN 0.370 nan 8.310 nan 0.000 0.478 164 F N 3.734 123.882 119.950 0.329 0.000 2.619 164 F HA 0.191 4.722 4.527 0.006 0.000 0.293 164 F C 2.155 178.094 175.800 0.232 0.000 1.119 164 F CA 0.050 58.290 58.000 0.400 0.000 1.445 164 F CB -0.423 38.807 39.000 0.383 0.000 1.119 164 F HN 0.570 nan 8.300 nan 0.000 0.573 165 N N 1.400 120.286 118.700 0.309 0.000 2.069 165 N HA -0.256 4.487 4.740 0.006 0.000 0.191 165 N C 2.005 177.565 175.510 0.083 0.000 1.031 165 N CA 1.457 54.609 53.050 0.170 0.000 0.852 165 N CB -0.173 38.368 38.487 0.090 0.000 1.018 165 N HN 0.151 nan 8.380 nan 0.000 0.423 166 R N -0.565 119.956 120.500 0.036 0.000 2.285 166 R HA 0.020 4.364 4.340 0.006 0.000 0.213 166 R C 0.893 177.171 176.300 -0.035 0.000 1.068 166 R CA 0.705 56.784 56.100 -0.036 0.000 1.004 166 R CB -0.006 30.242 30.300 -0.086 0.000 0.873 166 R HN 0.191 nan 8.270 nan 0.000 0.467 167 V N -0.459 119.477 119.914 0.037 0.000 3.578 167 V HA 0.265 4.388 4.120 0.006 0.000 0.290 167 V C 0.972 177.124 176.094 0.096 0.000 1.376 167 V CA 0.899 63.227 62.300 0.047 0.000 1.083 167 V CB 0.896 32.782 31.823 0.103 0.000 0.911 167 V HN 0.681 nan 8.190 nan 0.000 0.433 168 G N 0.270 109.128 108.800 0.098 0.000 2.234 168 G HA2 -0.207 3.756 3.960 0.006 0.000 0.235 168 G HA3 -0.207 3.756 3.960 0.006 0.000 0.235 168 G C 0.238 175.210 174.900 0.120 0.000 0.997 168 G CA 0.252 45.403 45.100 0.085 0.000 0.623 168 G HN 0.430 nan 8.290 nan 0.000 0.514 169 L N 0.809 122.157 121.223 0.208 0.000 2.456 169 L HA 0.603 4.947 4.340 0.006 0.000 0.257 169 L C 0.362 177.335 176.870 0.171 0.000 1.162 169 L CA -0.744 54.227 54.840 0.217 0.000 0.808 169 L CB 0.638 42.911 42.059 0.357 0.000 1.136 169 L HN 0.157 nan 8.230 nan 0.000 0.466 170 D N -1.303 119.145 120.400 0.080 0.000 2.175 170 D HA 0.106 4.749 4.640 0.006 0.000 0.248 170 D C 0.935 177.224 176.300 -0.018 0.000 1.047 170 D CA -0.296 53.699 54.000 -0.008 0.000 0.883 170 D CB 1.108 41.839 40.800 -0.115 0.000 1.180 170 D HN 0.554 nan 8.370 nan 0.000 0.438 171 H N 1.461 120.586 119.070 0.091 0.000 2.492 171 H HA -0.124 4.435 4.556 0.006 0.000 0.296 171 H C 1.532 176.848 175.328 -0.020 0.000 1.095 171 H CA 1.314 57.399 56.048 0.063 0.000 1.281 171 H CB -0.500 29.332 29.762 0.117 0.000 1.374 171 H HN 0.173 nan 8.280 nan 0.000 0.545 172 V N 1.305 120.922 119.914 -0.495 0.000 2.660 172 V HA -0.277 3.846 4.120 0.006 0.000 0.257 172 V C 2.393 178.395 176.094 -0.154 0.000 1.088 172 V CA 1.718 63.851 62.300 -0.278 0.000 1.106 172 V CB -0.846 30.823 31.823 -0.258 0.000 0.686 172 V HN 0.674 nan 8.190 nan 0.000 0.481 173 L N -2.031 119.078 121.223 -0.189 0.000 2.141 173 L HA -0.071 4.273 4.340 0.006 0.000 0.209 173 L C 2.089 178.747 176.870 -0.354 0.000 1.094 173 L CA 1.768 56.452 54.840 -0.260 0.000 0.763 173 L CB -0.950 40.945 42.059 -0.274 0.000 0.908 173 L HN 0.163 nan 8.230 nan 0.000 0.437 174 L N -0.646 120.389 121.223 -0.314 0.000 2.141 174 L HA -0.112 4.231 4.340 0.006 0.000 0.209 174 L C 2.605 179.368 176.870 -0.178 0.000 1.094 174 L CA 0.615 55.295 54.840 -0.267 0.000 0.763 174 L CB -0.552 41.423 42.059 -0.140 0.000 0.908 174 L HN 0.185 nan 8.230 nan 0.000 0.437 175 V N 0.236 120.090 119.914 -0.101 0.000 2.295 175 V HA -0.335 3.789 4.120 0.006 0.000 0.246 175 V C 2.608 178.636 176.094 -0.110 0.000 1.049 175 V CA 1.993 64.256 62.300 -0.061 0.000 1.024 175 V CB -0.548 31.276 31.823 0.003 0.000 0.648 175 V HN 0.456 nan 8.190 nan 0.000 0.447 176 K N 0.001 120.310 120.400 -0.151 0.000 2.009 176 K HA -0.187 4.136 4.320 0.006 0.000 0.210 176 K C 2.102 178.548 176.600 -0.256 0.000 1.049 176 K CA 2.029 58.211 56.287 -0.175 0.000 0.929 176 K CB -0.291 32.095 32.500 -0.190 0.000 0.714 176 K HN 0.321 nan 8.250 nan 0.000 0.440 177 V N 1.392 121.060 119.914 -0.409 0.000 2.287 177 V HA -0.288 3.836 4.120 0.006 0.000 0.248 177 V C 2.525 178.448 176.094 -0.284 0.000 1.053 177 V CA 2.111 64.098 62.300 -0.522 0.000 1.027 177 V CB -0.893 30.420 31.823 -0.849 0.000 0.646 177 V HN 0.533 nan 8.190 nan 0.000 0.447 178 A N -0.541 122.157 122.820 -0.203 0.000 1.877 178 A HA -0.218 4.106 4.320 0.006 0.000 0.216 178 A C 2.497 180.030 177.584 -0.085 0.000 1.186 178 A CA 2.338 54.303 52.037 -0.120 0.000 0.620 178 A CB -0.828 18.119 19.000 -0.088 0.000 0.822 178 A HN 0.491 nan 8.150 nan 0.000 0.443 179 S N -0.547 115.107 115.700 -0.078 0.000 2.368 179 S HA -0.129 4.345 4.470 0.006 0.000 0.225 179 S C 2.066 176.634 174.600 -0.053 0.000 1.030 179 S CA 1.759 59.932 58.200 -0.045 0.000 0.999 179 S CB -0.536 62.646 63.200 -0.029 0.000 0.844 179 S HN 0.714 nan 8.310 nan 0.000 0.459 180 T N 2.392 116.893 114.554 -0.088 0.000 2.684 180 T HA -0.109 4.244 4.350 0.006 0.000 0.267 180 T C 2.129 176.791 174.700 -0.064 0.000 1.036 180 T CA 1.333 63.384 62.100 -0.082 0.000 1.148 180 T CB -0.567 68.226 68.868 -0.125 0.000 0.863 180 T HN 0.471 nan 8.240 nan 0.000 0.436 181 A N 0.896 123.670 122.820 -0.075 0.000 1.865 181 A HA -0.082 4.242 4.320 0.006 0.000 0.217 181 A C 2.613 180.173 177.584 -0.040 0.000 1.191 181 A CA 1.630 53.635 52.037 -0.054 0.000 0.623 181 A CB -1.127 17.841 19.000 -0.053 0.000 0.826 181 A HN 0.348 nan 8.150 nan 0.000 0.444 182 V N -0.578 119.314 119.914 -0.035 0.000 2.427 182 V HA -0.199 3.925 4.120 0.006 0.000 0.248 182 V C 2.559 178.645 176.094 -0.012 0.000 1.051 182 V CA 1.909 64.194 62.300 -0.025 0.000 1.048 182 V CB -0.477 31.338 31.823 -0.014 0.000 0.666 182 V HN 0.372 nan 8.190 nan 0.000 0.456 183 V N -0.026 119.884 119.914 -0.006 0.000 2.379 183 V HA -0.167 3.956 4.120 0.006 0.000 0.245 183 V C 2.674 178.778 176.094 0.016 0.000 1.044 183 V CA 1.678 63.987 62.300 0.015 0.000 1.036 183 V CB -0.924 30.910 31.823 0.019 0.000 0.664 183 V HN 0.543 nan 8.190 nan 0.000 0.453 184 A N 0.671 123.491 122.820 -0.001 0.000 1.873 184 A HA -0.225 4.098 4.320 0.006 0.000 0.218 184 A C 1.534 179.115 177.584 -0.005 0.000 1.193 184 A CA 2.034 54.069 52.037 -0.003 0.000 0.629 184 A CB -0.500 18.487 19.000 -0.021 0.000 0.826 184 A HN 0.746 nan 8.150 nan 0.000 0.447 188 G N 1.632 110.429 108.800 -0.004 0.000 2.147 188 G HA2 -0.247 3.717 3.960 0.006 0.000 0.244 188 G HA3 -0.247 3.717 3.960 0.006 0.000 0.244 188 G C 0.197 175.091 174.900 -0.011 0.000 1.005 188 G CA 0.396 45.488 45.100 -0.013 0.000 0.713 188 G HN 0.197 nan 8.290 nan 0.000 0.515 189 L N 0.767 121.986 121.223 -0.007 0.000 2.472 189 L HA 0.502 4.846 4.340 0.006 0.000 0.260 189 L C 1.659 178.517 176.870 -0.020 0.000 1.209 189 L CA 0.032 54.866 54.840 -0.010 0.000 0.817 189 L CB 0.249 42.302 42.059 -0.009 0.000 1.106 189 L HN 0.420 nan 8.230 nan 0.000 0.479 190 T N -2.238 112.303 114.554 -0.021 0.000 2.849 190 T HA 0.169 4.522 4.350 0.006 0.000 0.284 190 T C 1.025 175.700 174.700 -0.042 0.000 1.004 190 T CA -0.593 61.492 62.100 -0.026 0.000 1.021 190 T CB 1.282 70.138 68.868 -0.019 0.000 1.013 190 T HN 0.661 nan 8.240 nan 0.000 0.527 191 R N 0.341 120.815 120.500 -0.043 0.000 2.119 191 R HA -0.207 4.137 4.340 0.006 0.000 0.246 191 R C 2.211 178.447 176.300 -0.107 0.000 1.146 191 R CA 2.123 58.184 56.100 -0.065 0.000 0.962 191 R CB -0.445 29.828 30.300 -0.046 0.000 0.863 191 R HN 0.836 nan 8.270 nan 0.000 0.442 192 E N 0.670 120.823 120.200 -0.078 0.000 2.077 192 E HA -0.192 4.161 4.350 0.006 0.000 0.193 192 E C 1.563 178.100 176.600 -0.106 0.000 0.989 192 E CA 2.010 58.356 56.400 -0.090 0.000 0.800 192 E CB -0.025 29.664 29.700 -0.017 0.000 0.746 192 E HN 0.518 nan 8.360 nan 0.000 0.452 193 E N -0.094 120.067 120.200 -0.065 0.000 2.072 193 E HA -0.120 4.234 4.350 0.006 0.000 0.191 193 E C 2.264 178.820 176.600 -0.074 0.000 0.985 193 E CA 1.301 57.671 56.400 -0.050 0.000 0.801 193 E CB -0.196 29.489 29.700 -0.024 0.000 0.750 193 E HN 0.365 nan 8.360 nan 0.000 0.452 194 I N 0.971 121.489 120.570 -0.087 0.000 2.286 194 I HA -0.276 3.897 4.170 0.006 0.000 0.248 194 I C 2.334 178.364 176.117 -0.145 0.000 1.115 194 I CA 0.960 62.206 61.300 -0.090 0.000 1.392 194 I CB -0.304 37.650 38.000 -0.077 0.000 1.065 194 I HN 0.112 nan 8.210 nan 0.000 0.418 195 L N 0.712 121.770 121.223 -0.274 0.000 2.046 195 L HA -0.229 4.114 4.340 0.006 0.000 0.208 195 L C 2.338 178.966 176.870 -0.403 0.000 1.077 195 L CA 1.410 55.923 54.840 -0.546 0.000 0.747 195 L CB -0.671 40.705 42.059 -1.138 0.000 0.896 195 L HN 0.308 nan 8.230 nan 0.000 0.432 196 N N 0.082 118.647 118.700 -0.225 0.000 2.166 196 N HA -0.152 4.591 4.740 0.006 0.000 0.186 196 N C 1.829 177.365 175.510 0.043 0.000 1.019 196 N CA 1.468 54.521 53.050 0.006 0.000 0.856 196 N CB -0.435 38.056 38.487 0.007 0.000 0.993 196 N HN 0.339 nan 8.380 nan 0.000 0.426 197 A N 0.756 123.572 122.820 -0.007 0.000 1.845 197 A HA -0.096 4.227 4.320 0.006 0.000 0.215 197 A C 2.480 180.071 177.584 0.012 0.000 1.195 197 A CA 1.583 53.623 52.037 0.005 0.000 0.616 197 A CB -0.977 18.010 19.000 -0.021 0.000 0.832 197 A HN 0.091 nan 8.150 nan 0.000 0.443 198 V N 1.113 121.029 119.914 0.002 0.000 2.332 198 V HA -0.270 3.854 4.120 0.006 0.000 0.248 198 V C 3.047 179.241 176.094 0.165 0.000 1.055 198 V CA 2.502 64.815 62.300 0.021 0.000 1.038 198 V CB -1.023 30.847 31.823 0.077 0.000 0.651 198 V HN 0.848 nan 8.190 nan 0.000 0.450 199 S N -0.117 115.754 115.700 0.285 0.000 2.382 199 S HA -0.160 4.313 4.470 0.006 0.000 0.228 199 S C 1.995 176.822 174.600 0.379 0.000 1.027 199 S CA 1.522 59.994 58.200 0.452 0.000 0.991 199 S CB -0.649 62.892 63.200 0.568 0.000 0.823 199 S HN 0.503 nan 8.310 nan 0.000 0.469 200 L N 1.204 122.595 121.223 0.280 0.000 2.131 200 L HA -0.035 4.308 4.340 0.006 0.000 0.210 200 L C 3.137 180.067 176.870 0.101 0.000 1.092 200 L CA 1.132 56.115 54.840 0.239 0.000 0.759 200 L CB -0.706 41.457 42.059 0.174 0.000 0.903 200 L HN 0.513 nan 8.230 nan 0.000 0.435 201 A N -0.835 121.979 122.820 -0.010 0.000 1.930 201 A HA -0.219 4.104 4.320 0.006 0.000 0.217 201 A C 1.907 179.364 177.584 -0.212 0.000 1.175 201 A CA 1.268 53.194 52.037 -0.185 0.000 0.627 201 A CB -0.849 17.927 19.000 -0.375 0.000 0.815 201 A HN 0.532 nan 8.150 nan 0.000 0.443 202 W N -0.017 121.256 121.300 -0.046 0.000 2.418 202 W HA -0.058 4.605 4.660 0.006 0.000 0.292 202 W C 2.066 178.546 176.519 -0.065 0.000 1.213 202 W CA 1.285 58.544 57.345 -0.143 0.000 1.283 202 W CB -0.094 29.295 29.460 -0.117 0.000 1.119 202 W HN 0.223 nan 8.180 nan 0.000 0.542 203 V N -1.835 118.222 119.914 0.238 0.000 3.630 203 V HA 0.045 4.169 4.120 0.006 0.000 0.273 203 V C 0.136 176.287 176.094 0.095 0.000 1.248 203 V CA 0.346 62.736 62.300 0.150 0.000 1.170 203 V CB -1.007 30.826 31.823 0.016 0.000 0.899 203 V HN -0.158 nan 8.190 nan 0.000 0.457 204 D N 1.247 121.694 120.400 0.079 0.000 2.383 204 D HA 0.506 5.149 4.640 0.006 0.000 0.248 204 D C 0.816 177.162 176.300 0.075 0.000 1.170 204 D CA 0.765 54.791 54.000 0.044 0.000 0.977 204 D CB 1.349 42.146 40.800 -0.006 0.000 1.120 204 D HN 0.398 nan 8.370 nan 0.000 0.481 205 G N 1.291 110.130 108.800 0.064 0.000 2.364 205 G HA2 0.259 4.222 3.960 0.006 0.000 0.267 205 G HA3 0.259 4.222 3.960 0.006 0.000 0.267 205 G C -0.599 174.355 174.900 0.089 0.000 1.233 205 G CA -0.489 44.666 45.100 0.092 0.000 0.885 205 G HN 0.239 nan 8.290 nan 0.000 0.490 206 Q N 1.235 121.119 119.800 0.141 0.000 2.303 206 Q HA 0.280 4.624 4.340 0.006 0.000 0.257 206 Q C 0.578 176.652 176.000 0.123 0.000 0.941 206 Q CA -0.398 55.480 55.803 0.126 0.000 0.931 206 Q CB 1.553 30.419 28.738 0.214 0.000 1.215 206 Q HN 0.575 nan 8.270 nan 0.000 0.437 207 S N 2.569 118.324 115.700 0.092 0.000 2.560 207 S HA 0.192 4.665 4.470 0.006 0.000 0.276 207 S C 0.353 175.019 174.600 0.110 0.000 1.350 207 S CA -0.269 58.000 58.200 0.115 0.000 1.024 207 S CB 0.350 63.624 63.200 0.123 0.000 0.864 207 S HN 0.483 nan 8.310 nan 0.000 0.536 208 L N 2.808 124.098 121.223 0.112 0.000 2.472 208 L HA 0.542 4.886 4.340 0.006 0.000 0.256 208 L C 1.393 178.142 176.870 -0.201 0.000 1.111 208 L CA -0.745 54.105 54.840 0.018 0.000 0.800 208 L CB 0.498 42.572 42.059 0.026 0.000 1.286 208 L HN 0.783 nan 8.230 nan 0.000 0.479 209 R N -1.757 118.559 120.500 -0.306 0.000 2.543 209 R HA 0.167 4.510 4.340 0.006 0.000 0.323 209 R C 0.911 176.817 176.300 -0.657 0.000 1.002 209 R CA -0.008 55.693 56.100 -0.665 0.000 1.106 209 R CB -0.383 29.748 30.300 -0.282 0.000 1.280 209 R HN 0.547 nan 8.270 nan 0.000 0.549 210 T N 1.321 115.646 114.554 -0.382 0.000 2.792 210 T HA -0.244 4.110 4.350 0.006 0.000 0.268 210 T C 1.100 175.690 174.700 -0.184 0.000 1.059 210 T CA 1.874 63.881 62.100 -0.155 0.000 1.136 210 T CB -0.442 68.412 68.868 -0.024 0.000 0.846 210 T HN 0.634 nan 8.240 nan 0.000 0.489 211 Y N 0.101 120.339 120.300 -0.103 0.000 2.471 211 Y HA 0.464 5.017 4.550 0.005 0.000 0.286 211 Y C 1.858 177.632 175.900 -0.210 0.000 1.188 211 Y CA -0.811 57.201 58.100 -0.148 0.000 1.286 211 Y CB -0.440 37.903 38.460 -0.194 0.000 1.072 211 Y HN 0.002 nan 8.280 nan 0.000 0.517 212 R N -0.412 119.817 120.500 -0.451 0.000 2.404 212 R HA 0.170 4.514 4.340 0.006 0.000 0.237 212 R C -0.541 175.393 176.300 -0.610 0.000 0.907 212 R CA -0.028 55.775 56.100 -0.495 0.000 1.063 212 R CB 0.311 30.231 30.300 -0.633 0.000 1.134 212 R HN 0.317 nan 8.270 nan 0.000 0.529 213 H N -0.202 118.810 119.070 -0.096 0.000 2.529 213 H HA 0.373 4.933 4.556 0.005 0.000 0.348 213 H C -0.315 174.982 175.328 -0.051 0.000 1.079 213 H CA -1.087 54.916 56.048 -0.074 0.000 1.198 213 H CB 1.671 31.382 29.762 -0.084 0.000 1.521 213 H HN 0.079 nan 8.280 nan 0.000 0.514 214 A N 4.156 127.018 122.820 0.069 0.000 2.466 214 A HA 0.147 4.470 4.320 0.006 0.000 0.238 214 A C -1.044 176.560 177.584 0.034 0.000 1.074 214 A CA -0.776 51.280 52.037 0.032 0.000 0.774 214 A CB -0.082 18.926 19.000 0.013 0.000 1.015 214 A HN 0.626 nan 8.150 nan 0.000 0.498 215 P HA 0.061 nan 4.420 nan 0.000 0.257 215 P C 0.038 177.352 177.300 0.024 0.000 1.325 215 P CA 0.171 63.282 63.100 0.019 0.000 0.850 215 P CB 0.225 31.934 31.700 0.015 0.000 1.324 216 N N 0.031 118.748 118.700 0.029 0.000 2.336 216 N HA 0.008 4.752 4.740 0.006 0.000 0.189 216 N C 0.095 175.624 175.510 0.032 0.000 1.113 216 N CA 0.388 53.459 53.050 0.035 0.000 0.858 216 N CB -0.090 38.422 38.487 0.041 0.000 0.970 216 N HN 0.100 nan 8.380 nan 0.000 0.471 217 T N 1.208 115.769 114.554 0.012 0.000 2.800 217 T HA 0.228 4.581 4.350 0.006 0.000 0.283 217 T C 0.789 175.492 174.700 0.006 0.000 0.999 217 T CA 0.170 62.265 62.100 -0.008 0.000 1.176 217 T CB 0.779 69.630 68.868 -0.029 0.000 0.973 217 T HN 0.240 nan 8.240 nan 0.000 0.519 218 G N 1.634 110.439 108.800 0.008 0.000 2.921 218 G HA2 0.505 4.469 3.960 0.006 0.000 0.291 218 G HA3 0.505 4.469 3.960 0.006 0.000 0.291 218 G C 0.961 175.811 174.900 -0.082 0.000 1.370 218 G CA -0.236 44.861 45.100 -0.006 0.000 0.847 218 G HN 0.533 nan 8.290 nan 0.000 0.532 219 T N -1.819 112.698 114.554 -0.060 0.000 3.007 219 T HA -0.132 4.221 4.350 0.006 0.000 0.270 219 T C 2.024 176.478 174.700 -0.411 0.000 1.107 219 T CA 1.293 63.305 62.100 -0.146 0.000 1.118 219 T CB -0.059 68.903 68.868 0.157 0.000 0.889 219 T HN 0.472 nan 8.240 nan 0.000 0.506 220 R N 2.363 122.527 120.500 -0.560 0.000 2.193 220 R HA -0.074 4.269 4.340 0.006 0.000 0.229 220 R C 2.284 177.817 176.300 -1.278 0.000 1.110 220 R CA 1.371 56.565 56.100 -1.509 0.000 0.988 220 R CB -0.306 29.062 30.300 -1.554 0.000 0.871 220 R HN 0.682 nan 8.270 nan 0.000 0.458 221 K N -1.104 118.951 120.400 -0.574 0.000 2.515 221 K HA 0.028 4.351 4.320 0.006 0.000 0.196 221 K C 1.254 177.642 176.600 -0.353 0.000 1.038 221 K CA 1.484 57.640 56.287 -0.218 0.000 0.967 221 K CB 0.251 32.713 32.500 -0.064 0.000 0.780 221 K HN -0.028 nan 8.250 nan 0.000 0.483 222 S N 0.539 115.878 115.700 -0.602 0.000 2.468 222 S HA 0.056 4.530 4.470 0.006 0.000 0.226 222 S C 0.959 175.405 174.600 -0.257 0.000 1.051 222 S CA 0.081 57.904 58.200 -0.629 0.000 0.943 222 S CB -0.052 62.259 63.200 -1.483 0.000 0.810 222 S HN 0.674 nan 8.310 nan 0.000 0.509 223 W N 0.884 122.070 121.300 -0.191 0.000 3.127 223 W HA 0.580 5.243 4.660 0.005 0.000 0.344 223 W C 1.370 177.917 176.519 0.047 0.000 1.151 223 W CA 0.258 57.628 57.345 0.040 0.000 1.765 223 W CB -0.637 28.990 29.460 0.280 0.000 1.085 223 W HN 0.183 nan 8.180 nan 0.000 0.596 224 A N 2.268 124.935 122.820 -0.255 0.000 1.917 224 A HA -0.090 4.234 4.320 0.006 0.000 0.219 224 A C 2.347 179.947 177.584 0.027 0.000 1.182 224 A CA 3.218 55.114 52.037 -0.235 0.000 0.633 224 A CB -0.954 17.868 19.000 -0.297 0.000 0.819 224 A HN 0.314 nan 8.150 nan 0.000 0.448 225 A N -0.752 122.102 122.820 0.057 0.000 1.897 225 A HA 0.214 4.538 4.320 0.006 0.000 0.215 225 A C 2.443 180.108 177.584 0.134 0.000 1.181 225 A CA 1.714 53.805 52.037 0.091 0.000 0.620 225 A CB -1.387 17.687 19.000 0.123 0.000 0.821 225 A HN 0.775 nan 8.150 nan 0.000 0.443 226 G N -0.207 108.693 108.800 0.166 0.000 2.442 226 G HA2 -0.320 3.644 3.960 0.006 0.000 0.219 226 G HA3 -0.320 3.644 3.960 0.006 0.000 0.219 226 G C 1.260 176.361 174.900 0.336 0.000 1.141 226 G CA 1.520 46.708 45.100 0.147 0.000 0.763 226 G HN 0.592 nan 8.290 nan 0.000 0.554 227 D N 0.167 120.860 120.400 0.488 0.000 2.183 227 D HA 0.136 4.779 4.640 0.006 0.000 0.203 227 D C 2.635 179.062 176.300 0.211 0.000 0.969 227 D CA 1.224 55.498 54.000 0.456 0.000 0.842 227 D CB -0.189 40.923 40.800 0.520 0.000 0.957 227 D HN 0.244 nan 8.370 nan 0.000 0.484 228 A N -0.667 122.238 122.820 0.142 0.000 1.872 228 A HA -0.104 4.219 4.320 0.006 0.000 0.214 228 A C 2.376 179.981 177.584 0.035 0.000 1.187 228 A CA 1.949 54.017 52.037 0.051 0.000 0.614 228 A CB -1.220 17.783 19.000 0.005 0.000 0.826 228 A HN 0.301 nan 8.150 nan 0.000 0.442 229 T N -1.007 113.581 114.554 0.056 0.000 2.833 229 T HA -0.135 4.219 4.350 0.006 0.000 0.269 229 T C 2.176 176.904 174.700 0.047 0.000 1.054 229 T CA 2.089 64.213 62.100 0.039 0.000 1.135 229 T CB -0.361 68.538 68.868 0.051 0.000 0.869 229 T HN 0.492 nan 8.240 nan 0.000 0.466 230 S N 0.157 115.912 115.700 0.091 0.000 2.383 230 S HA -0.054 4.419 4.470 0.006 0.000 0.227 230 S C 2.310 176.926 174.600 0.028 0.000 1.026 230 S CA 0.787 59.036 58.200 0.082 0.000 0.981 230 S CB -0.370 62.929 63.200 0.166 0.000 0.818 230 S HN 0.363 nan 8.310 nan 0.000 0.472 231 R N 0.794 121.309 120.500 0.024 0.000 2.115 231 R HA 0.066 4.409 4.340 0.006 0.000 0.230 231 R C 2.425 178.711 176.300 -0.024 0.000 1.111 231 R CA 1.210 57.306 56.100 -0.007 0.000 0.976 231 R CB -1.062 29.233 30.300 -0.008 0.000 0.870 231 R HN 0.514 nan 8.270 nan 0.000 0.445 232 A N 0.286 123.090 122.820 -0.028 0.000 1.883 232 A HA -0.144 4.180 4.320 0.006 0.000 0.217 232 A C 2.383 179.950 177.584 -0.028 0.000 1.186 232 A CA 1.824 53.835 52.037 -0.043 0.000 0.624 232 A CB -0.731 18.242 19.000 -0.045 0.000 0.822 232 A HN 0.145 nan 8.150 nan 0.000 0.444 233 V N 0.138 120.041 119.914 -0.018 0.000 2.332 233 V HA -0.264 3.860 4.120 0.006 0.000 0.248 233 V C 2.720 178.791 176.094 -0.037 0.000 1.055 233 V CA 2.212 64.499 62.300 -0.022 0.000 1.038 233 V CB -0.863 30.941 31.823 -0.031 0.000 0.651 233 V HN 0.532 nan 8.190 nan 0.000 0.450 234 R N -0.097 120.378 120.500 -0.041 0.000 2.080 234 R HA -0.125 4.218 4.340 0.006 0.000 0.236 234 R C 2.293 178.577 176.300 -0.025 0.000 1.137 234 R CA 1.804 57.877 56.100 -0.044 0.000 0.943 234 R CB -0.606 29.669 30.300 -0.041 0.000 0.846 234 R HN 0.470 nan 8.270 nan 0.000 0.431 235 L N 0.070 121.282 121.223 -0.019 0.000 2.083 235 L HA -0.162 4.182 4.340 0.006 0.000 0.209 235 L C 2.731 179.602 176.870 0.000 0.000 1.083 235 L CA 1.360 56.197 54.840 -0.005 0.000 0.752 235 L CB -0.644 41.407 42.059 -0.013 0.000 0.899 235 L HN 0.234 nan 8.230 nan 0.000 0.433 236 A N 0.163 122.979 122.820 -0.007 0.000 1.902 236 A HA -0.057 4.266 4.320 0.006 0.000 0.217 236 A C 1.501 179.096 177.584 0.019 0.000 1.181 236 A CA 0.847 52.886 52.037 0.004 0.000 0.623 236 A CB -0.611 18.393 19.000 0.006 0.000 0.818 236 A HN 0.226 nan 8.150 nan 0.000 0.443 240 K N 1.127 121.544 120.400 0.028 0.000 2.209 240 K HA -0.136 4.187 4.320 0.006 0.000 0.204 240 K C 1.722 178.342 176.600 0.033 0.000 1.048 240 K CA 2.140 58.448 56.287 0.035 0.000 0.940 240 K CB -0.199 32.337 32.500 0.059 0.000 0.729 240 K HN 0.620 nan 8.250 nan 0.000 0.451 241 T N -3.273 111.301 114.554 0.033 0.000 3.160 241 T HA 0.128 4.482 4.350 0.006 0.000 0.257 241 T C 1.166 175.880 174.700 0.022 0.000 1.147 241 T CA 0.732 62.850 62.100 0.030 0.000 1.064 241 T CB 0.163 69.049 68.868 0.029 0.000 0.949 241 T HN 0.398 nan 8.240 nan 0.000 0.526 242 G N 0.394 109.205 108.800 0.019 0.000 2.163 242 G HA2 -0.199 3.764 3.960 0.006 0.000 0.213 242 G HA3 -0.199 3.764 3.960 0.006 0.000 0.213 242 G C -0.094 174.813 174.900 0.012 0.000 0.991 242 G CA 0.106 45.214 45.100 0.014 0.000 0.653 242 G HN 0.751 nan 8.290 nan 0.000 0.518 246 Y N 0.520 120.929 120.300 0.183 0.000 2.594 246 Y HA 0.414 4.967 4.550 0.006 0.000 0.338 246 Y C -1.767 174.042 175.900 -0.151 0.000 1.019 246 Y CA -1.756 56.345 58.100 0.002 0.000 1.306 246 Y CB 2.066 40.568 38.460 0.070 0.000 1.094 246 Y HN 0.307 nan 8.280 nan 0.000 0.534 247 P HA -0.239 nan 4.420 nan 0.000 0.216 247 P C 0.738 177.913 177.300 -0.208 0.000 1.167 247 P CA 2.303 64.916 63.100 -0.811 0.000 0.933 247 P CB 0.186 31.479 31.700 -0.680 0.000 0.793 248 S N -1.893 113.758 115.700 -0.082 0.000 2.596 248 S HA 0.516 4.990 4.470 0.006 0.000 0.248 248 S C 1.413 176.034 174.600 0.035 0.000 1.162 248 S CA 0.040 58.238 58.200 -0.004 0.000 1.185 248 S CB -0.546 62.661 63.200 0.013 0.000 0.833 248 S HN 0.148 nan 8.310 nan 0.000 0.472 249 A N 1.650 124.516 122.820 0.077 0.000 1.986 249 A HA -0.010 4.314 4.320 0.006 0.000 0.220 249 A C 1.897 179.480 177.584 -0.001 0.000 1.171 249 A CA 1.308 53.417 52.037 0.120 0.000 0.640 249 A CB -0.494 18.653 19.000 0.245 0.000 0.811 249 A HN 0.648 nan 8.150 nan 0.000 0.451 250 L N -1.437 119.672 121.223 -0.189 0.000 2.286 250 L HA -0.022 4.321 4.340 0.006 0.000 0.203 250 L C 2.808 179.452 176.870 -0.376 0.000 1.068 250 L CA 1.371 55.884 54.840 -0.546 0.000 0.811 250 L CB -0.464 40.973 42.059 -1.037 0.000 0.989 250 L HN 0.543 nan 8.230 nan 0.000 0.467 251 T N -1.803 112.688 114.554 -0.106 0.000 3.043 251 T HA 0.170 4.523 4.350 0.006 0.000 0.263 251 T C 1.088 175.829 174.700 0.069 0.000 1.094 251 T CA 0.275 62.427 62.100 0.086 0.000 1.127 251 T CB -0.340 68.586 68.868 0.097 0.000 0.905 251 T HN 0.179 nan 8.240 nan 0.000 0.490 252 A N 3.766 126.618 122.820 0.054 0.000 2.581 252 A HA 0.223 4.547 4.320 0.006 0.000 0.257 252 A C -0.542 177.068 177.584 0.043 0.000 1.022 252 A CA -0.652 51.434 52.037 0.081 0.000 0.812 252 A CB -0.522 18.563 19.000 0.141 0.000 0.918 252 A HN 0.268 nan 8.150 nan 0.000 0.516 253 P HA -0.309 nan 4.420 nan 0.000 0.221 253 P C 1.295 178.489 177.300 -0.177 0.000 1.107 253 P CA 3.163 66.225 63.100 -0.062 0.000 0.986 253 P CB -0.031 31.640 31.700 -0.048 0.000 0.774 254 V N -8.288 111.396 119.914 -0.383 0.000 3.612 254 V HA 0.225 4.348 4.120 0.006 0.000 0.268 254 V C 1.412 177.131 176.094 -0.625 0.000 1.365 254 V CA 0.005 61.927 62.300 -0.629 0.000 1.044 254 V CB -1.216 30.025 31.823 -0.970 0.000 0.820 254 V HN 0.139 nan 8.190 nan 0.000 0.444 255 W N 1.945 123.253 121.300 0.013 0.000 3.211 255 W HA 0.654 5.317 4.660 0.005 0.000 0.292 255 W C 1.637 178.172 176.519 0.027 0.000 1.268 255 W CA 0.007 57.361 57.345 0.015 0.000 1.702 255 W CB -0.002 29.462 29.460 0.007 0.000 1.092 255 W HN 0.292 nan 8.180 nan 0.000 0.643 256 G N 0.336 109.233 108.800 0.162 0.000 2.651 256 G HA2 0.017 3.980 3.960 0.006 0.000 0.260 256 G HA3 0.017 3.980 3.960 0.006 0.000 0.260 256 G C 0.015 174.984 174.900 0.115 0.000 1.216 256 G CA -0.431 44.739 45.100 0.118 0.000 0.913 256 G HN 0.119 nan 8.290 nan 0.000 0.535 257 F N -0.066 119.841 119.950 -0.072 0.000 2.146 257 F HA -0.022 4.508 4.527 0.006 0.000 0.298 257 F C 2.284 178.098 175.800 0.023 0.000 1.096 257 F CA 1.229 59.203 58.000 -0.043 0.000 1.275 257 F CB -0.226 38.685 39.000 -0.149 0.000 1.008 257 F HN 0.409 nan 8.300 nan 0.000 0.480 258 Y N 1.187 121.394 120.300 -0.154 0.000 2.070 258 Y HA -0.258 4.295 4.550 0.006 0.000 0.280 258 Y C 2.534 178.329 175.900 -0.175 0.000 1.148 258 Y CA 1.691 59.668 58.100 -0.206 0.000 1.125 258 Y CB -1.355 37.015 38.460 -0.149 0.000 0.975 258 Y HN 0.106 nan 8.280 nan 0.000 0.492 259 D N -0.862 119.562 120.400 0.041 0.000 2.310 259 D HA -0.083 4.561 4.640 0.006 0.000 0.212 259 D C 2.149 178.399 176.300 -0.083 0.000 0.965 259 D CA 0.899 54.871 54.000 -0.047 0.000 0.879 259 D CB 0.042 40.794 40.800 -0.080 0.000 0.921 259 D HN 0.229 nan 8.370 nan 0.000 0.510 260 V N -0.024 119.840 119.914 -0.084 0.000 2.492 260 V HA -0.030 4.094 4.120 0.006 0.000 0.241 260 V C 2.005 178.041 176.094 -0.096 0.000 1.041 260 V CA 1.094 63.357 62.300 -0.061 0.000 1.057 260 V CB 0.257 32.096 31.823 0.026 0.000 0.711 260 V HN 0.060 nan 8.190 nan 0.000 0.468 261 S N -1.492 114.053 115.700 -0.258 0.000 2.526 261 S HA 0.293 4.766 4.470 0.006 0.000 0.220 261 S C 0.770 175.289 174.600 -0.137 0.000 1.017 261 S CA -0.102 57.957 58.200 -0.235 0.000 0.930 261 S CB 0.303 63.328 63.200 -0.291 0.000 0.856 261 S HN 0.417 nan 8.310 nan 0.000 0.497 262 F N 2.871 122.559 119.950 -0.437 0.000 2.850 262 F HA 0.429 4.960 4.527 0.006 0.000 0.306 262 F C 0.271 175.977 175.800 -0.156 0.000 1.162 262 F CA -0.947 56.922 58.000 -0.218 0.000 1.327 262 F CB -0.532 38.391 39.000 -0.128 0.000 0.953 262 F HN -0.095 nan 8.300 nan 0.000 0.507 263 K N 0.293 120.609 120.400 -0.140 0.000 3.071 263 K HA -0.260 4.064 4.320 0.006 0.000 0.262 263 K C 1.306 177.816 176.600 -0.151 0.000 0.977 263 K CA 0.592 56.780 56.287 -0.165 0.000 0.721 263 K CB -1.675 30.688 32.500 -0.229 0.000 1.293 263 K HN 0.711 nan 8.250 nan 0.000 0.475 264 G N -0.637 108.105 108.800 -0.097 0.000 2.228 264 G HA2 -0.350 3.614 3.960 0.006 0.000 0.270 264 G HA3 -0.350 3.614 3.960 0.006 0.000 0.270 264 G C 0.132 174.943 174.900 -0.148 0.000 0.976 264 G CA 0.879 45.922 45.100 -0.095 0.000 0.636 264 G HN 0.417 nan 8.290 nan 0.000 0.542 265 E N 0.425 120.516 120.200 -0.182 0.000 2.345 265 E HA 0.605 4.958 4.350 0.006 0.000 0.259 265 E C 0.173 176.512 176.600 -0.435 0.000 1.117 265 E CA -0.116 56.139 56.400 -0.241 0.000 0.913 265 E CB 1.309 30.843 29.700 -0.277 0.000 1.057 265 E HN 0.166 nan 8.360 nan 0.000 0.432 266 S N 0.333 115.723 115.700 -0.518 0.000 2.638 266 S HA 0.482 4.955 4.470 0.006 0.000 0.298 266 S C -0.463 173.971 174.600 -0.277 0.000 1.111 266 S CA -0.659 56.958 58.200 -0.972 0.000 1.027 266 S CB 0.399 63.261 63.200 -0.565 0.000 1.064 266 S HN 0.206 nan 8.310 nan 0.000 0.525 267 F N 2.104 121.949 119.950 -0.175 0.000 2.471 267 F HA 0.373 4.904 4.527 0.006 0.000 0.353 267 F C 1.196 176.820 175.800 -0.293 0.000 1.113 267 F CA -0.407 57.505 58.000 -0.146 0.000 1.262 267 F CB 0.251 39.181 39.000 -0.117 0.000 1.146 267 F HN 0.278 nan 8.300 nan 0.000 0.578 268 R N 2.723 123.072 120.500 -0.251 0.000 2.494 268 R HA 0.498 4.842 4.340 0.006 0.000 0.305 268 R C -1.736 174.250 176.300 -0.524 0.000 0.959 268 R CA -0.677 55.277 56.100 -0.244 0.000 0.864 268 R CB 1.376 31.627 30.300 -0.082 0.000 1.159 268 R HN 0.357 nan 8.270 nan 0.000 0.446 269 F N 2.445 122.412 119.950 0.028 0.000 2.430 269 F HA 0.157 4.688 4.527 0.006 0.000 0.362 269 F C 1.475 177.239 175.800 -0.059 0.000 1.103 269 F CA -0.828 57.150 58.000 -0.037 0.000 1.045 269 F CB 1.782 40.713 39.000 -0.114 0.000 1.276 269 F HN 0.531 nan 8.300 nan 0.000 0.444 270 Q N 2.623 122.465 119.800 0.069 0.000 2.291 270 Q HA -0.054 4.290 4.340 0.006 0.000 0.206 270 Q C 0.154 176.144 176.000 -0.016 0.000 0.976 270 Q CA 1.008 56.821 55.803 0.018 0.000 0.875 270 Q CB 0.261 28.996 28.738 -0.004 0.000 0.927 270 Q HN 0.723 nan 8.270 nan 0.000 0.450 271 R N -0.428 120.056 120.500 -0.027 0.000 2.710 271 R HA 0.547 4.891 4.340 0.006 0.000 0.270 271 R C -3.124 173.063 176.300 -0.188 0.000 1.021 271 R CA -1.903 54.133 56.100 -0.107 0.000 0.889 271 R CB 0.688 30.889 30.300 -0.166 0.000 1.243 271 R HN -0.151 nan 8.270 nan 0.000 0.464 272 P HA 0.161 nan 4.420 nan 0.000 0.276 272 P C -0.991 176.064 177.300 -0.408 0.000 1.252 272 P CA -0.393 62.482 63.100 -0.375 0.000 0.802 272 P CB 0.395 31.958 31.700 -0.229 0.000 1.035 273 Y N -0.229 119.829 120.300 -0.403 0.000 2.526 273 Y HA 0.416 4.969 4.550 0.006 0.000 0.330 273 Y C 1.638 177.106 175.900 -0.720 0.000 1.156 273 Y CA 1.199 58.858 58.100 -0.736 0.000 1.419 273 Y CB 0.110 37.716 38.460 -1.424 0.000 1.250 273 Y HN 0.634 nan 8.280 nan 0.000 0.540 274 G N 0.316 108.917 108.800 -0.331 0.000 3.551 274 G HA2 0.313 4.277 3.960 0.006 0.000 0.174 274 G HA3 0.313 4.277 3.960 0.006 0.000 0.174 274 G C -0.294 174.698 174.900 0.154 0.000 1.280 274 G CA -0.055 44.912 45.100 -0.221 0.000 1.236 274 G HN 0.628 nan 8.290 nan 0.000 0.731 275 S N -1.102 114.711 115.700 0.188 0.000 3.093 275 S HA 0.202 4.676 4.470 0.006 0.000 0.251 275 S C 0.758 175.408 174.600 0.083 0.000 0.905 275 S CA -0.069 58.212 58.200 0.135 0.000 1.124 275 S CB -0.014 63.266 63.200 0.134 0.000 1.124 275 S HN 0.540 nan 8.310 nan 0.000 0.574 276 Y N 2.368 122.656 120.300 -0.020 0.000 2.293 276 Y HA 0.196 4.749 4.550 0.006 0.000 0.291 276 Y C 0.863 176.699 175.900 -0.108 0.000 1.137 276 Y CA 0.851 58.943 58.100 -0.013 0.000 1.202 276 Y CB -0.235 38.246 38.460 0.035 0.000 0.990 276 Y HN 0.260 nan 8.280 nan 0.000 0.537 280 N N 0.961 119.498 118.700 -0.271 0.000 2.197 280 N HA 0.113 4.857 4.740 0.006 0.000 0.228 280 N C -0.155 175.276 175.510 -0.131 0.000 1.212 280 N CA 0.144 53.059 53.050 -0.225 0.000 0.883 280 N CB 2.278 40.625 38.487 -0.233 0.000 1.107 280 N HN -0.090 nan 8.380 nan 0.000 0.519 281 V N 1.735 121.531 119.914 -0.196 0.000 2.843 281 V HA 0.132 4.255 4.120 0.006 0.000 0.305 281 V C 0.239 176.028 176.094 -0.507 0.000 1.065 281 V CA -0.005 62.155 62.300 -0.234 0.000 1.116 281 V CB 0.818 32.459 31.823 -0.302 0.000 0.968 281 V HN 0.065 nan 8.190 nan 0.000 0.487 282 L N 5.572 126.494 121.223 -0.501 0.000 2.357 282 L HA 0.507 4.850 4.340 0.006 0.000 0.273 282 L C -1.022 175.610 176.870 -0.397 0.000 1.080 282 L CA -0.295 54.231 54.840 -0.523 0.000 0.803 282 L CB 1.274 42.801 42.059 -0.885 0.000 1.174 282 L HN 0.495 nan 8.230 nan 0.000 0.443 283 F N 1.063 121.120 119.950 0.179 0.000 2.493 283 F HA 0.350 4.881 4.527 0.005 0.000 0.329 283 F C 0.168 176.164 175.800 0.327 0.000 1.126 283 F CA -1.110 57.028 58.000 0.229 0.000 0.937 283 F CB 1.517 40.581 39.000 0.107 0.000 1.146 283 F HN 0.218 nan 8.300 nan 0.000 0.442 284 K N 5.705 126.388 120.400 0.471 0.000 2.127 284 K HA 0.293 4.616 4.320 0.006 0.000 0.261 284 K C 0.444 177.087 176.600 0.071 0.000 1.129 284 K CA 0.204 56.596 56.287 0.174 0.000 0.993 284 K CB 0.098 32.695 32.500 0.163 0.000 1.410 284 K HN 0.688 nan 8.250 nan 0.000 0.380 285 I N -2.140 118.445 120.570 0.025 0.000 3.994 285 I HA 0.208 4.381 4.170 0.006 0.000 0.323 285 I C 0.243 176.267 176.117 -0.155 0.000 1.501 285 I CA -0.390 60.875 61.300 -0.058 0.000 1.112 285 I CB 0.850 38.832 38.000 -0.029 0.000 1.254 285 I HN 0.122 nan 8.210 nan 0.000 0.495 286 S N 0.273 115.851 115.700 -0.203 0.000 3.379 286 S HA 0.646 5.120 4.470 0.006 0.000 0.273 286 S C -0.260 174.128 174.600 -0.354 0.000 1.027 286 S CA -0.484 57.484 58.200 -0.386 0.000 1.098 286 S CB 0.498 63.489 63.200 -0.349 0.000 1.317 286 S HN 0.188 nan 8.310 nan 0.000 0.715 287 F N 2.967 122.885 119.950 -0.053 0.000 2.539 287 F HA 0.269 4.799 4.527 0.006 0.000 0.340 287 F C -1.602 174.180 175.800 -0.030 0.000 1.185 287 F CA -1.459 56.521 58.000 -0.033 0.000 1.333 287 F CB -0.204 38.789 39.000 -0.011 0.000 1.152 287 F HN 0.259 nan 8.300 nan 0.000 0.602 288 P HA 0.278 nan 4.420 nan 0.000 0.244 288 P C -1.105 176.333 177.300 0.230 0.000 1.769 288 P CA 0.277 63.489 63.100 0.186 0.000 1.102 288 P CB 0.051 31.905 31.700 0.257 0.000 1.937 289 A N 1.619 124.505 122.820 0.111 0.000 2.515 289 A HA 0.420 4.744 4.320 0.006 0.000 0.298 289 A C -0.069 177.471 177.584 -0.074 0.000 1.059 289 A CA -0.743 51.339 52.037 0.074 0.000 0.698 289 A CB 1.301 20.380 19.000 0.132 0.000 1.289 289 A HN 0.228 nan 8.150 nan 0.000 0.404 290 E N 0.911 121.055 120.200 -0.094 0.000 2.502 290 E HA 0.007 4.360 4.350 0.006 0.000 0.261 290 E C 0.161 176.748 176.600 -0.022 0.000 0.974 290 E CA 0.157 56.505 56.400 -0.086 0.000 0.936 290 E CB 0.086 29.722 29.700 -0.107 0.000 0.926 290 E HN 0.546 nan 8.360 nan 0.000 0.459 291 F N 2.499 122.437 119.950 -0.020 0.000 2.184 291 F HA -0.225 4.305 4.527 0.006 0.000 0.301 291 F C 1.971 177.691 175.800 -0.133 0.000 1.076 291 F CA 1.679 59.612 58.000 -0.112 0.000 1.295 291 F CB -0.375 38.467 39.000 -0.263 0.000 1.026 291 F HN 0.659 nan 8.300 nan 0.000 0.494 292 H N -1.821 117.401 119.070 0.254 0.000 2.559 292 H HA -0.024 4.536 4.556 0.006 0.000 0.273 292 H C 2.039 177.455 175.328 0.146 0.000 1.000 292 H CA 1.151 57.345 56.048 0.243 0.000 1.195 292 H CB -0.042 29.854 29.762 0.223 0.000 1.368 292 H HN 0.214 nan 8.280 nan 0.000 0.592 293 S N -1.246 114.557 115.700 0.172 0.000 2.549 293 S HA -0.017 4.457 4.470 0.006 0.000 0.225 293 S C 1.682 176.334 174.600 0.087 0.000 1.039 293 S CA -0.403 57.859 58.200 0.104 0.000 0.942 293 S CB 0.431 63.681 63.200 0.083 0.000 0.881 293 S HN 0.123 nan 8.310 nan 0.000 0.503 294 Q N 1.979 121.837 119.800 0.097 0.000 2.182 294 Q HA -0.160 4.184 4.340 0.006 0.000 0.213 294 Q C 1.889 177.963 176.000 0.123 0.000 1.000 294 Q CA 2.333 58.205 55.803 0.115 0.000 0.889 294 Q CB -1.275 27.528 28.738 0.109 0.000 0.932 294 Q HN 0.638 nan 8.270 nan 0.000 0.415 295 T N 0.751 115.360 114.554 0.091 0.000 2.777 295 T HA -0.067 4.286 4.350 0.006 0.000 0.266 295 T C 1.794 176.511 174.700 0.028 0.000 1.040 295 T CA 1.363 63.492 62.100 0.049 0.000 1.141 295 T CB -0.226 68.637 68.868 -0.009 0.000 0.868 295 T HN 0.457 nan 8.240 nan 0.000 0.444 296 A N 0.965 123.796 122.820 0.019 0.000 1.902 296 A HA -0.053 4.271 4.320 0.006 0.000 0.217 296 A C 2.549 180.123 177.584 -0.017 0.000 1.181 296 A CA 1.373 53.408 52.037 -0.003 0.000 0.623 296 A CB -0.994 18.002 19.000 -0.007 0.000 0.818 296 A HN 0.359 nan 8.150 nan 0.000 0.443 297 V N 0.157 120.057 119.914 -0.024 0.000 2.343 297 V HA -0.284 3.840 4.120 0.006 0.000 0.247 297 V C 2.387 178.401 176.094 -0.132 0.000 1.051 297 V CA 2.277 64.501 62.300 -0.127 0.000 1.036 297 V CB -0.906 30.812 31.823 -0.175 0.000 0.654 297 V HN 0.625 nan 8.190 nan 0.000 0.451 298 E N 0.194 120.412 120.200 0.031 0.000 2.077 298 E HA -0.205 4.148 4.350 0.006 0.000 0.193 298 E C 2.340 178.971 176.600 0.052 0.000 0.989 298 E CA 1.333 57.803 56.400 0.115 0.000 0.800 298 E CB -0.296 29.501 29.700 0.162 0.000 0.746 298 E HN 0.619 nan 8.360 nan 0.000 0.452 299 A N 1.774 124.611 122.820 0.029 0.000 1.873 299 A HA 0.054 4.377 4.320 0.006 0.000 0.215 299 A C 1.618 179.221 177.584 0.030 0.000 1.186 299 A CA 1.032 53.087 52.037 0.030 0.000 0.616 299 A CB -0.560 18.453 19.000 0.021 0.000 0.823 299 A HN 0.281 nan 8.150 nan 0.000 0.442 303 L N 0.643 121.940 121.223 0.123 0.000 2.179 303 L HA 0.151 4.495 4.340 0.006 0.000 0.208 303 L C 2.230 179.236 176.870 0.227 0.000 1.096 303 L CA 1.314 56.264 54.840 0.182 0.000 0.779 303 L CB -0.424 41.761 42.059 0.210 0.000 0.922 303 L HN 0.298 nan 8.230 nan 0.000 0.443 304 Y N 1.896 122.240 120.300 0.072 0.000 2.049 304 Y HA -0.340 4.213 4.550 0.006 0.000 0.277 304 Y C 2.570 178.505 175.900 0.058 0.000 1.143 304 Y CA 2.204 60.337 58.100 0.056 0.000 1.115 304 Y CB -0.333 38.132 38.460 0.009 0.000 0.975 304 Y HN 0.356 nan 8.280 nan 0.000 0.487 305 E N 0.550 120.956 120.200 0.342 0.000 2.401 305 E HA -0.167 4.187 4.350 0.006 0.000 0.199 305 E C 1.088 177.712 176.600 0.041 0.000 1.023 305 E CA 0.451 56.961 56.400 0.183 0.000 0.859 305 E CB -0.245 29.573 29.700 0.197 0.000 0.780 305 E HN 0.611 nan 8.360 nan 0.000 0.523 309 A N 0.701 123.501 122.820 -0.034 0.000 1.986 309 A HA 0.056 4.379 4.320 0.006 0.000 0.220 309 A C 1.718 179.295 177.584 -0.012 0.000 1.171 309 A CA 2.136 54.159 52.037 -0.022 0.000 0.640 309 A CB -0.715 18.269 19.000 -0.027 0.000 0.811 309 A HN 0.486 nan 8.150 nan 0.000 0.451 310 A N -1.266 121.562 122.820 0.012 0.000 2.307 310 A HA 0.445 4.769 4.320 0.006 0.000 0.218 310 A C 1.504 179.071 177.584 -0.028 0.000 1.228 310 A CA 0.869 52.934 52.037 0.047 0.000 0.857 310 A CB -1.172 17.967 19.000 0.232 0.000 0.897 310 A HN 1.881 nan 8.150 nan 0.000 0.495 311 G N 0.326 109.091 108.800 -0.057 0.000 2.372 311 G HA2 -0.255 3.708 3.960 0.006 0.000 0.297 311 G HA3 -0.255 3.708 3.960 0.006 0.000 0.297 311 G C -0.109 174.698 174.900 -0.154 0.000 1.005 311 G CA 0.924 45.969 45.100 -0.092 0.000 1.173 311 G HN 0.630 nan 8.290 nan 0.000 0.511 312 K N -0.457 119.818 120.400 -0.207 0.000 2.482 312 K HA 0.725 5.049 4.320 0.006 0.000 0.257 312 K C -0.378 176.055 176.600 -0.277 0.000 0.969 312 K CA -0.848 55.244 56.287 -0.324 0.000 0.842 312 K CB 2.071 34.188 32.500 -0.639 0.000 1.359 312 K HN 0.118 nan 8.250 nan 0.000 0.441 313 T N 0.204 114.608 114.554 -0.250 0.000 2.924 313 T HA 0.292 4.646 4.350 0.006 0.000 0.291 313 T C 0.863 175.483 174.700 -0.133 0.000 1.045 313 T CA -0.576 61.415 62.100 -0.181 0.000 1.015 313 T CB 1.734 70.526 68.868 -0.127 0.000 1.103 313 T HN 0.665 nan 8.240 nan 0.000 0.496 314 A N 0.773 123.538 122.820 -0.093 0.000 2.234 314 A HA 0.162 4.485 4.320 0.006 0.000 0.216 314 A C 2.077 179.639 177.584 -0.037 0.000 1.167 314 A CA 1.491 53.501 52.037 -0.045 0.000 0.698 314 A CB -0.808 18.147 19.000 -0.076 0.000 0.779 314 A HN 0.884 nan 8.150 nan 0.000 0.475 315 A N -0.777 122.011 122.820 -0.054 0.000 2.218 315 A HA 0.083 4.407 4.320 0.006 0.000 0.209 315 A C 1.113 178.680 177.584 -0.029 0.000 1.168 315 A CA 0.952 52.966 52.037 -0.040 0.000 0.804 315 A CB -0.031 18.943 19.000 -0.043 0.000 0.834 315 A HN 0.395 nan 8.150 nan 0.000 0.482 316 D N -0.288 120.089 120.400 -0.037 0.000 2.369 316 D HA 0.207 4.851 4.640 0.006 0.000 0.211 316 D C 0.171 176.553 176.300 0.136 0.000 1.077 316 D CA 0.166 54.151 54.000 -0.023 0.000 0.842 316 D CB 0.370 41.065 40.800 -0.175 0.000 0.947 316 D HN 0.422 nan 8.370 nan 0.000 0.509 317 I N 1.292 121.954 120.570 0.152 0.000 2.396 317 I HA 0.101 4.275 4.170 0.006 0.000 0.292 317 I C 1.463 177.603 176.117 0.039 0.000 0.999 317 I CA -0.199 61.199 61.300 0.162 0.000 1.310 317 I CB 1.429 39.492 38.000 0.104 0.000 1.404 317 I HN -0.111 nan 8.210 nan 0.000 0.496 318 E N 4.142 124.338 120.200 -0.007 0.000 2.508 318 E HA 0.217 4.570 4.350 0.006 0.000 0.217 318 E C 0.132 176.709 176.600 -0.039 0.000 0.896 318 E CA -0.397 55.991 56.400 -0.019 0.000 1.118 318 E CB 0.869 30.561 29.700 -0.014 0.000 1.133 318 E HN 0.480 nan 8.360 nan 0.000 0.526 319 K N 1.110 121.465 120.400 -0.075 0.000 2.553 319 K HA 0.417 4.740 4.320 0.006 0.000 0.250 319 K C -1.962 174.580 176.600 -0.095 0.000 0.953 319 K CA -0.706 55.538 56.287 -0.071 0.000 0.800 319 K CB 2.652 35.112 32.500 -0.067 0.000 1.243 319 K HN -0.020 nan 8.250 nan 0.000 0.435 320 V N 3.279 123.160 119.914 -0.056 0.000 2.409 320 V HA 0.331 4.455 4.120 0.006 0.000 0.290 320 V C -0.724 175.359 176.094 -0.018 0.000 1.017 320 V CA -0.676 61.592 62.300 -0.052 0.000 0.841 320 V CB 1.708 33.506 31.823 -0.042 0.000 1.003 320 V HN 0.818 nan 8.190 nan 0.000 0.426 321 T N 6.578 121.130 114.554 -0.005 0.000 2.758 321 T HA 0.616 4.970 4.350 0.006 0.000 0.285 321 T C -0.123 174.565 174.700 -0.020 0.000 0.981 321 T CA -0.086 62.037 62.100 0.039 0.000 0.965 321 T CB 0.747 69.689 68.868 0.125 0.000 0.927 321 T HN 0.399 nan 8.240 nan 0.000 0.448 322 I N 3.434 123.950 120.570 -0.091 0.000 2.328 322 I HA 0.381 4.555 4.170 0.006 0.000 0.287 322 I C 0.544 176.407 176.117 -0.423 0.000 1.012 322 I CA -0.748 60.453 61.300 -0.165 0.000 1.195 322 I CB 1.165 39.099 38.000 -0.110 0.000 1.350 322 I HN 0.346 nan 8.210 nan 0.000 0.464 323 R N 5.167 125.408 120.500 -0.432 0.000 2.220 323 R HA 0.356 4.699 4.340 0.006 0.000 0.340 323 R C -0.242 176.013 176.300 -0.074 0.000 1.076 323 R CA 0.117 55.811 56.100 -0.676 0.000 0.920 323 R CB 0.869 30.949 30.300 -0.368 0.000 1.062 323 R HN 0.722 nan 8.270 nan 0.000 0.469 324 T N 1.916 116.392 114.554 -0.131 0.000 2.676 324 T HA 0.384 4.737 4.350 0.006 0.000 0.269 324 T C -0.766 174.041 174.700 0.177 0.000 0.952 324 T CA -0.727 61.410 62.100 0.063 0.000 1.040 324 T CB 0.695 69.439 68.868 -0.206 0.000 1.352 324 T HN 0.772 nan 8.240 nan 0.000 0.554 325 H N -0.052 119.080 119.070 0.103 0.000 2.615 325 H HA 0.511 5.070 4.556 0.006 0.000 0.346 325 H C 1.033 176.334 175.328 -0.046 0.000 1.200 325 H CA -0.516 55.568 56.048 0.060 0.000 1.264 325 H CB 0.979 30.743 29.762 0.003 0.000 1.699 325 H HN 0.839 nan 8.280 nan 0.000 0.567 326 E N 1.069 121.296 120.200 0.045 0.000 2.033 326 E HA -0.221 4.132 4.350 0.006 0.000 0.199 326 E C 2.117 178.645 176.600 -0.119 0.000 1.011 326 E CA 1.702 58.084 56.400 -0.030 0.000 0.815 326 E CB -0.232 29.485 29.700 0.027 0.000 0.755 326 E HN 0.712 nan 8.360 nan 0.000 0.451 327 A N 1.107 123.822 122.820 -0.176 0.000 1.896 327 A HA -0.328 3.995 4.320 0.006 0.000 0.220 327 A C 2.652 180.046 177.584 -0.317 0.000 1.206 327 A CA 1.960 53.834 52.037 -0.273 0.000 0.647 327 A CB -1.646 17.030 19.000 -0.540 0.000 0.828 327 A HN 0.674 nan 8.150 nan 0.000 0.455 328 C N -0.483 118.596 119.300 -0.369 0.000 2.401 328 C HA -0.128 4.336 4.460 0.006 0.000 0.276 328 C C 2.495 177.361 174.990 -0.207 0.000 1.233 328 C CA 1.165 59.984 59.018 -0.332 0.000 1.753 328 C CB -1.342 26.037 27.740 -0.603 0.000 2.029 328 C HN 0.557 nan 8.230 nan 0.000 0.478 329 I N 2.214 122.664 120.570 -0.199 0.000 2.076 329 I HA -0.179 3.995 4.170 0.006 0.000 0.237 329 I C 2.767 178.844 176.117 -0.067 0.000 1.059 329 I CA 2.417 63.654 61.300 -0.104 0.000 1.317 329 I CB -1.518 36.437 38.000 -0.075 0.000 1.037 329 I HN 0.551 nan 8.210 nan 0.000 0.398 330 R N 0.683 121.140 120.500 -0.072 0.000 2.285 330 R HA -0.039 4.305 4.340 0.006 0.000 0.213 330 R C 1.807 178.083 176.300 -0.040 0.000 1.068 330 R CA 1.218 57.288 56.100 -0.049 0.000 1.004 330 R CB -0.357 29.914 30.300 -0.049 0.000 0.873 330 R HN 0.357 nan 8.270 nan 0.000 0.467 331 I N -0.667 119.871 120.570 -0.052 0.000 3.039 331 I HA 0.061 4.234 4.170 0.006 0.000 0.270 331 I C 1.368 177.532 176.117 0.078 0.000 1.150 331 I CA 0.312 61.616 61.300 0.006 0.000 1.448 331 I CB 0.359 38.345 38.000 -0.023 0.000 1.197 331 I HN 0.051 nan 8.210 nan 0.000 0.450 332 I N -0.131 120.470 120.570 0.051 0.000 4.227 332 I HA 0.069 4.243 4.170 0.006 0.000 0.334 332 I C 0.321 176.475 176.117 0.061 0.000 1.341 332 I CA 0.230 61.586 61.300 0.094 0.000 1.123 332 I CB 0.391 38.455 38.000 0.106 0.000 1.097 332 I HN -0.037 nan 8.210 nan 0.000 0.399 333 D N 2.620 123.033 120.400 0.022 0.000 2.455 333 D HA 0.040 4.683 4.640 0.006 0.000 0.234 333 D C 0.040 176.358 176.300 0.030 0.000 1.224 333 D CA 0.188 54.199 54.000 0.017 0.000 0.999 333 D CB -0.005 40.790 40.800 -0.009 0.000 1.072 333 D HN -0.008 nan 8.370 nan 0.000 0.514 334 K N 2.973 123.403 120.400 0.050 0.000 2.323 334 K HA 0.367 4.690 4.320 0.006 0.000 0.259 334 K C -0.775 175.856 176.600 0.050 0.000 0.947 334 K CA -0.861 55.455 56.287 0.048 0.000 0.819 334 K CB 0.766 33.302 32.500 0.060 0.000 1.109 334 K HN 0.014 nan 8.250 nan 0.000 0.429 335 K N 1.334 121.757 120.400 0.039 0.000 2.166 335 K HA 0.726 5.049 4.320 0.006 0.000 0.245 335 K C -0.180 176.442 176.600 0.036 0.000 0.967 335 K CA -0.046 56.264 56.287 0.039 0.000 0.863 335 K CB 1.853 34.371 32.500 0.030 0.000 1.107 335 K HN 0.857 nan 8.250 nan 0.000 0.436 336 G N 0.850 109.673 108.800 0.039 0.000 2.409 336 G HA2 -0.079 3.884 3.960 0.006 0.000 0.421 336 G HA3 -0.079 3.884 3.960 0.006 0.000 0.421 336 G C -2.665 172.259 174.900 0.041 0.000 1.259 336 G CA -1.225 43.895 45.100 0.034 0.000 1.011 336 G HN 0.458 nan 8.290 nan 0.000 0.497 337 P HA 0.622 nan 4.420 nan 0.000 0.274 337 P C -0.417 176.899 177.300 0.027 0.000 1.231 337 P CA -0.312 62.808 63.100 0.034 0.000 0.790 337 P CB 0.594 32.310 31.700 0.027 0.000 0.951 338 L N 2.656 123.893 121.223 0.022 0.000 2.377 338 L HA 0.325 4.669 4.340 0.006 0.000 0.270 338 L C 0.711 177.573 176.870 -0.013 0.000 0.991 338 L CA -0.634 54.201 54.840 -0.009 0.000 0.851 338 L CB 1.265 43.294 42.059 -0.051 0.000 1.218 338 L HN 0.364 nan 8.230 nan 0.000 0.420 339 N N 2.310 121.006 118.700 -0.008 0.000 2.060 339 N HA -0.021 4.722 4.740 0.006 0.000 0.216 339 N C 0.128 175.635 175.510 -0.005 0.000 1.047 339 N CA -0.021 53.030 53.050 0.001 0.000 1.062 339 N CB -0.522 37.968 38.487 0.005 0.000 1.341 339 N HN 0.621 nan 8.380 nan 0.000 0.550 340 N N 2.056 120.756 118.700 -0.000 0.000 2.292 340 N HA -0.006 4.738 4.740 0.006 0.000 0.242 340 N C -2.254 173.252 175.510 -0.007 0.000 1.243 340 N CA -0.619 52.433 53.050 0.004 0.000 0.851 340 N CB 0.059 38.549 38.487 0.005 0.000 1.093 340 N HN 0.093 nan 8.380 nan 0.000 0.450 341 P HA -0.206 nan 4.420 nan 0.000 0.218 341 P C 0.926 178.204 177.300 -0.036 0.000 1.146 341 P CA 1.831 64.943 63.100 0.020 0.000 0.813 341 P CB -0.051 31.697 31.700 0.080 0.000 0.778 342 A N -0.136 122.669 122.820 -0.026 0.000 1.933 342 A HA -0.221 4.103 4.320 0.006 0.000 0.218 342 A C 1.977 179.565 177.584 0.007 0.000 1.175 342 A CA 1.896 53.921 52.037 -0.021 0.000 0.628 342 A CB -1.183 17.806 19.000 -0.018 0.000 0.814 342 A HN 0.120 nan 8.150 nan 0.000 0.444 343 D N -0.329 120.063 120.400 -0.014 0.000 2.117 343 D HA -0.114 4.529 4.640 0.006 0.000 0.198 343 D C 2.090 178.389 176.300 -0.002 0.000 0.982 343 D CA 1.194 55.193 54.000 -0.001 0.000 0.828 343 D CB -0.309 40.480 40.800 -0.018 0.000 0.967 343 D HN 0.438 nan 8.370 nan 0.000 0.464 344 R N 0.468 120.910 120.500 -0.098 0.000 2.189 344 R HA -0.062 4.282 4.340 0.006 0.000 0.223 344 R C 1.469 177.791 176.300 0.036 0.000 1.092 344 R CA 0.645 56.615 56.100 -0.216 0.000 0.989 344 R CB -0.011 29.903 30.300 -0.644 0.000 0.876 344 R HN 0.005 nan 8.270 nan 0.000 0.457 345 D N -0.596 119.750 120.400 -0.089 0.000 2.378 345 D HA -0.069 4.574 4.640 0.006 0.000 0.227 345 D C 0.115 176.335 176.300 -0.134 0.000 1.012 345 D CA 0.906 54.737 54.000 -0.281 0.000 0.905 345 D CB 0.224 40.830 40.800 -0.324 0.000 0.895 345 D HN 0.324 nan 8.370 nan 0.000 0.532 346 H N -1.250 117.827 119.070 0.012 0.000 2.790 346 H HA 0.226 4.785 4.556 0.006 0.000 0.232 346 H C -0.747 174.628 175.328 0.078 0.000 1.313 346 H CA -0.334 55.751 56.048 0.060 0.000 1.011 346 H CB 0.182 29.972 29.762 0.047 0.000 2.105 346 H HN -0.000 nan 8.280 nan 0.000 0.580 347 C N 1.857 121.258 119.300 0.168 0.000 2.455 347 C HA 0.206 4.669 4.460 0.006 0.000 0.321 347 C C 1.784 176.883 174.990 0.181 0.000 1.102 347 C CA -0.629 58.488 59.018 0.164 0.000 1.413 347 C CB -0.912 26.928 27.740 0.167 0.000 1.952 347 C HN 0.585 nan 8.230 nan 0.000 0.428 348 I N 3.856 124.498 120.570 0.119 0.000 2.194 348 I HA -0.171 4.002 4.170 0.006 0.000 0.246 348 I C 2.103 178.271 176.117 0.086 0.000 1.093 348 I CA 2.117 63.470 61.300 0.089 0.000 1.355 348 I CB -0.340 37.685 38.000 0.042 0.000 1.046 348 I HN 0.851 nan 8.210 nan 0.000 0.413 349 Q N -0.803 119.050 119.800 0.089 0.000 2.234 349 Q HA -0.191 4.152 4.340 0.006 0.000 0.206 349 Q C 0.751 176.800 176.000 0.082 0.000 0.980 349 Q CA 1.110 56.954 55.803 0.068 0.000 0.869 349 Q CB -0.432 28.348 28.738 0.070 0.000 0.912 349 Q HN 0.572 nan 8.270 nan 0.000 0.436 353 A N 0.992 123.697 122.820 -0.190 0.000 1.854 353 A HA 0.014 4.337 4.320 0.006 0.000 0.214 353 A C 1.850 179.241 177.584 -0.322 0.000 1.192 353 A CA 1.963 53.854 52.037 -0.242 0.000 0.611 353 A CB -0.404 18.425 19.000 -0.286 0.000 0.832 353 A HN 0.454 nan 8.150 nan 0.000 0.442 354 I N 0.383 120.719 120.570 -0.390 0.000 2.087 354 I HA -0.205 3.968 4.170 0.006 0.000 0.240 354 I C -0.288 175.683 176.117 -0.244 0.000 1.054 354 I CA 1.990 63.101 61.300 -0.314 0.000 1.311 354 I CB -2.543 35.320 38.000 -0.228 0.000 1.024 354 I HN 0.170 nan 8.210 nan 0.000 0.402 355 P HA -0.149 nan 4.420 nan 0.000 0.215 355 P C 2.277 179.533 177.300 -0.073 0.000 1.157 355 P CA 1.415 64.391 63.100 -0.207 0.000 0.874 355 P CB -0.070 31.489 31.700 -0.235 0.000 0.790 356 L N -2.147 119.049 121.223 -0.044 0.000 2.127 356 L HA -0.175 4.168 4.340 0.006 0.000 0.211 356 L C 2.366 179.282 176.870 0.076 0.000 1.089 356 L CA 1.272 56.150 54.840 0.063 0.000 0.757 356 L CB -0.720 41.333 42.059 -0.012 0.000 0.899 356 L HN 0.017 nan 8.230 nan 0.000 0.434 357 L N -1.913 119.216 121.223 -0.157 0.000 2.116 357 L HA -0.027 4.317 4.340 0.006 0.000 0.200 357 L C 2.003 178.752 176.870 -0.202 0.000 1.084 357 L CA 0.839 55.465 54.840 -0.356 0.000 0.766 357 L CB -0.303 41.217 42.059 -0.898 0.000 0.930 357 L HN 0.057 nan 8.230 nan 0.000 0.453 358 F N -0.106 119.860 119.950 0.027 0.000 2.754 358 F HA 0.315 4.845 4.527 0.006 0.000 0.297 358 F C 1.624 177.248 175.800 -0.294 0.000 1.122 358 F CA 0.221 58.198 58.000 -0.039 0.000 1.400 358 F CB -0.820 38.125 39.000 -0.092 0.000 1.117 358 F HN 0.167 nan 8.300 nan 0.000 0.587 359 G N 1.664 110.165 108.800 -0.498 0.000 2.246 359 G HA2 -0.265 3.698 3.960 0.006 0.000 0.273 359 G HA3 -0.265 3.698 3.960 0.006 0.000 0.273 359 G C 0.122 174.725 174.900 -0.495 0.000 1.055 359 G CA 0.419 44.812 45.100 -1.179 0.000 0.851 359 G HN 0.684 nan 8.290 nan 0.000 0.500 360 R N -2.511 117.828 120.500 -0.269 0.000 2.789 360 R HA 0.818 5.161 4.340 0.006 0.000 0.279 360 R C -1.763 174.441 176.300 -0.160 0.000 1.010 360 R CA -1.150 54.855 56.100 -0.159 0.000 0.855 360 R CB 0.872 31.128 30.300 -0.075 0.000 1.312 360 R HN 1.140 nan 8.270 nan 0.000 0.479 361 L N 0.820 121.986 121.223 -0.094 0.000 2.845 361 L HA 0.461 4.805 4.340 0.006 0.000 0.253 361 L C -1.737 175.157 176.870 0.040 0.000 0.959 361 L CA 0.452 55.233 54.840 -0.100 0.000 1.001 361 L CB 2.043 43.970 42.059 -0.221 0.000 1.374 361 L HN 1.003 nan 8.230 nan 0.000 0.469 362 T N 0.631 115.186 114.554 0.000 0.000 2.916 362 T HA 0.745 5.099 4.350 0.006 0.000 0.292 362 T C 1.161 175.929 174.700 0.113 0.000 1.055 362 T CA -0.265 61.881 62.100 0.076 0.000 1.009 362 T CB 1.817 70.715 68.868 0.050 0.000 1.118 362 T HN 0.625 nan 8.240 nan 0.000 0.497 363 A N 0.900 123.867 122.820 0.244 0.000 1.986 363 A HA 0.080 4.404 4.320 0.006 0.000 0.220 363 A C 2.489 180.262 177.584 0.315 0.000 1.171 363 A CA 2.082 54.368 52.037 0.415 0.000 0.640 363 A CB -1.467 17.714 19.000 0.301 0.000 0.811 363 A HN 1.285 nan 8.150 nan 0.000 0.451 364 A N 0.010 122.922 122.820 0.152 0.000 1.972 364 A HA -0.171 4.153 4.320 0.006 0.000 0.219 364 A C 1.540 179.159 177.584 0.057 0.000 1.169 364 A CA 1.646 53.739 52.037 0.094 0.000 0.635 364 A CB -0.481 18.543 19.000 0.039 0.000 0.810 364 A HN 0.488 nan 8.150 nan 0.000 0.446 365 D N -1.695 118.691 120.400 -0.024 0.000 2.392 365 D HA -0.063 4.580 4.640 0.006 0.000 0.228 365 D C 0.779 177.069 176.300 -0.018 0.000 1.003 365 D CA 0.801 54.753 54.000 -0.080 0.000 0.917 365 D CB -0.146 40.551 40.800 -0.173 0.000 0.890 365 D HN 0.659 nan 8.370 nan 0.000 0.532 366 Y N 0.896 121.313 120.300 0.194 0.000 2.503 366 Y HA 0.065 4.618 4.550 0.005 0.000 0.277 366 Y C 1.209 177.151 175.900 0.071 0.000 1.102 366 Y CA 0.008 58.199 58.100 0.150 0.000 1.261 366 Y CB 0.193 38.711 38.460 0.097 0.000 1.096 366 Y HN -0.208 nan 8.280 nan 0.000 0.546 367 E N 1.389 121.718 120.200 0.215 0.000 2.418 367 E HA -0.091 4.263 4.350 0.006 0.000 0.261 367 E C 0.610 177.276 176.600 0.110 0.000 1.070 367 E CA 0.225 56.706 56.400 0.135 0.000 0.931 367 E CB 0.502 30.266 29.700 0.106 0.000 0.954 367 E HN 0.392 nan 8.360 nan 0.000 0.439 368 D N 1.627 122.077 120.400 0.082 0.000 2.221 368 D HA -0.192 4.451 4.640 0.006 0.000 0.204 368 D C 1.347 177.690 176.300 0.073 0.000 0.982 368 D CA 0.595 54.639 54.000 0.074 0.000 0.857 368 D CB 0.148 40.981 40.800 0.055 0.000 0.934 368 D HN 0.391 nan 8.370 nan 0.000 0.475 369 N N 1.057 119.794 118.700 0.062 0.000 2.132 369 N HA -0.154 4.589 4.740 0.006 0.000 0.191 369 N C 1.643 177.177 175.510 0.039 0.000 1.015 369 N CA 1.017 54.093 53.050 0.043 0.000 0.864 369 N CB 0.071 38.578 38.487 0.033 0.000 1.006 369 N HN 0.095 nan 8.380 nan 0.000 0.430 370 V N 0.188 120.136 119.914 0.057 0.000 3.263 370 V HA 0.206 4.330 4.120 0.006 0.000 0.248 370 V C 2.194 178.376 176.094 0.148 0.000 1.145 370 V CA 0.873 63.206 62.300 0.055 0.000 1.107 370 V CB -0.221 31.610 31.823 0.012 0.000 0.797 370 V HN 0.288 nan 8.190 nan 0.000 0.467 371 A N -0.247 122.679 122.820 0.177 0.000 2.125 371 A HA -0.236 4.087 4.320 0.006 0.000 0.219 371 A C 2.106 179.786 177.584 0.159 0.000 1.156 371 A CA 1.514 53.683 52.037 0.221 0.000 0.671 371 A CB -0.360 18.739 19.000 0.164 0.000 0.794 371 A HN 0.614 nan 8.150 nan 0.000 0.459 372 Q N 0.017 119.886 119.800 0.116 0.000 2.061 372 Q HA -0.154 4.190 4.340 0.006 0.000 0.204 372 Q C 0.421 176.480 176.000 0.099 0.000 0.984 372 Q CA 0.873 56.730 55.803 0.090 0.000 0.846 372 Q CB -0.291 28.487 28.738 0.066 0.000 0.902 372 Q HN 0.609 nan 8.270 nan 0.000 0.421 373 D N 0.925 121.397 120.400 0.120 0.000 2.662 373 D HA -0.116 4.527 4.640 0.006 0.000 0.233 373 D C 0.325 176.691 176.300 0.110 0.000 1.129 373 D CA 0.650 54.729 54.000 0.132 0.000 0.851 373 D CB 0.641 41.573 40.800 0.220 0.000 1.152 373 D HN 0.137 nan 8.370 nan 0.000 0.507 374 K N 3.366 123.813 120.400 0.078 0.000 2.288 374 K HA -0.065 4.259 4.320 0.006 0.000 0.201 374 K C 1.974 178.599 176.600 0.042 0.000 1.048 374 K CA 0.379 56.702 56.287 0.059 0.000 0.956 374 K CB 0.346 32.873 32.500 0.045 0.000 0.746 374 K HN 0.337 nan 8.250 nan 0.000 0.461 375 R N 0.913 121.433 120.500 0.032 0.000 2.096 375 R HA -0.082 4.262 4.340 0.006 0.000 0.235 375 R C 2.219 178.495 176.300 -0.039 0.000 1.127 375 R CA 1.224 57.318 56.100 -0.011 0.000 0.968 375 R CB -0.385 29.894 30.300 -0.036 0.000 0.861 375 R HN 0.186 nan 8.270 nan 0.000 0.440 376 I N 0.922 121.477 120.570 -0.025 0.000 2.099 376 I HA -0.312 3.861 4.170 0.006 0.000 0.239 376 I C 1.486 177.604 176.117 0.001 0.000 1.066 376 I CA 1.660 62.926 61.300 -0.055 0.000 1.324 376 I CB -0.409 37.598 38.000 0.011 0.000 1.037 376 I HN 0.119 nan 8.210 nan 0.000 0.401 377 D N 0.969 121.405 120.400 0.059 0.000 2.144 377 D HA -0.132 4.512 4.640 0.006 0.000 0.199 377 D C 2.188 178.510 176.300 0.035 0.000 0.984 377 D CA 1.400 55.442 54.000 0.069 0.000 0.834 377 D CB -0.178 40.669 40.800 0.079 0.000 0.955 377 D HN 0.375 nan 8.370 nan 0.000 0.465 378 A N 0.464 123.295 122.820 0.019 0.000 1.858 378 A HA -0.129 4.195 4.320 0.006 0.000 0.216 378 A C 2.048 179.629 177.584 -0.005 0.000 1.190 378 A CA 1.022 53.063 52.037 0.007 0.000 0.617 378 A CB -0.840 18.161 19.000 0.001 0.000 0.827 378 A HN 0.254 nan 8.150 nan 0.000 0.443 379 L N -0.218 120.990 121.223 -0.025 0.000 2.046 379 L HA -0.099 4.245 4.340 0.006 0.000 0.208 379 L C 2.402 179.258 176.870 -0.024 0.000 1.077 379 L CA 1.842 56.660 54.840 -0.037 0.000 0.747 379 L CB -0.641 41.372 42.059 -0.076 0.000 0.896 379 L HN 0.347 nan 8.230 nan 0.000 0.432 380 R N -0.451 120.042 120.500 -0.011 0.000 2.117 380 R HA -0.187 4.156 4.340 0.006 0.000 0.243 380 R C 2.066 178.376 176.300 0.017 0.000 1.143 380 R CA 1.555 57.663 56.100 0.014 0.000 0.968 380 R CB -0.273 30.059 30.300 0.054 0.000 0.863 380 R HN 0.489 nan 8.270 nan 0.000 0.444 381 E N 0.673 120.882 120.200 0.015 0.000 2.097 381 E HA -0.208 4.146 4.350 0.006 0.000 0.196 381 E C 1.558 178.162 176.600 0.007 0.000 1.000 381 E CA 1.421 57.830 56.400 0.014 0.000 0.804 381 E CB -0.084 29.623 29.700 0.012 0.000 0.740 381 E HN 0.391 nan 8.360 nan 0.000 0.454 382 K N 0.368 120.767 120.400 -0.002 0.000 2.487 382 K HA 0.067 4.391 4.320 0.006 0.000 0.192 382 K C 0.362 176.957 176.600 -0.008 0.000 1.027 382 K CA 0.109 56.391 56.287 -0.008 0.000 1.054 382 K CB 0.390 32.880 32.500 -0.017 0.000 0.824 382 K HN 0.016 nan 8.250 nan 0.000 0.510 383 I N 3.070 123.639 120.570 -0.002 0.000 2.312 383 I HA 0.080 4.253 4.170 0.006 0.000 0.291 383 I C -0.558 175.566 176.117 0.012 0.000 1.031 383 I CA -0.634 60.666 61.300 -0.001 0.000 1.293 383 I CB 0.049 38.048 38.000 -0.001 0.000 1.403 383 I HN 0.202 nan 8.210 nan 0.000 0.484 384 N N 5.390 124.100 118.700 0.017 0.000 2.310 384 N HA 0.672 5.415 4.740 0.006 0.000 0.292 384 N C -0.980 174.551 175.510 0.036 0.000 1.049 384 N CA -0.774 52.298 53.050 0.036 0.000 0.849 384 N CB 1.738 40.258 38.487 0.055 0.000 1.532 384 N HN 0.563 nan 8.380 nan 0.000 0.479 385 C N 0.182 119.495 119.300 0.022 0.000 2.563 385 C HA 0.913 5.376 4.460 0.006 0.000 0.314 385 C C -0.590 174.411 174.990 0.019 0.000 1.199 385 C CA -1.345 57.642 59.018 -0.051 0.000 1.564 385 C CB -0.731 26.950 27.740 -0.098 0.000 2.173 385 C HN 0.782 nan 8.230 nan 0.000 0.485 386 F N -0.679 119.270 119.950 -0.000 0.000 2.577 386 F HA 0.754 5.284 4.527 0.006 0.000 0.318 386 F C -0.298 175.504 175.800 0.003 0.000 1.065 386 F CA -1.325 56.672 58.000 -0.006 0.000 0.929 386 F CB 0.916 39.909 39.000 -0.012 0.000 1.237 386 F HN 0.801 nan 8.300 nan 0.000 0.468 387 E N 1.177 121.511 120.200 0.224 0.000 2.354 387 E HA 0.095 4.448 4.350 0.006 0.000 0.269 387 E C -1.444 175.299 176.600 0.237 0.000 1.036 387 E CA -0.342 56.144 56.400 0.142 0.000 0.876 387 E CB 0.725 30.489 29.700 0.106 0.000 1.009 387 E HN 0.718 nan 8.360 nan 0.000 0.416 388 D N 5.269 125.745 120.400 0.126 0.000 2.453 388 D HA 0.231 4.875 4.640 0.006 0.000 0.238 388 D C -2.047 174.279 176.300 0.042 0.000 1.088 388 D CA -2.500 51.525 54.000 0.042 0.000 0.854 388 D CB 1.675 42.307 40.800 -0.281 0.000 1.076 388 D HN 0.188 nan 8.370 nan 0.000 0.533 389 P HA -0.249 nan 4.420 nan 0.000 0.220 389 P C 1.079 178.428 177.300 0.082 0.000 1.155 389 P CA 2.171 65.314 63.100 0.071 0.000 0.880 389 P CB 0.295 32.023 31.700 0.046 0.000 0.790 390 A N -1.515 121.316 122.820 0.018 0.000 1.883 390 A HA -0.229 4.094 4.320 0.006 0.000 0.217 390 A C 2.000 179.693 177.584 0.183 0.000 1.186 390 A CA 1.693 53.755 52.037 0.040 0.000 0.624 390 A CB -1.717 17.245 19.000 -0.064 0.000 0.822 390 A HN 0.057 nan 8.150 nan 0.000 0.444 391 F N 0.852 120.840 119.950 0.062 0.000 2.134 391 F HA -0.106 4.425 4.527 0.006 0.000 0.299 391 F C 2.768 178.613 175.800 0.075 0.000 1.097 391 F CA 1.501 59.533 58.000 0.054 0.000 1.264 391 F CB -1.533 37.521 39.000 0.091 0.000 1.001 391 F HN 0.178 nan 8.300 nan 0.000 0.479 392 T N -0.023 114.720 114.554 0.316 0.000 2.881 392 T HA -0.124 4.230 4.350 0.006 0.000 0.270 392 T C 2.249 177.101 174.700 0.252 0.000 1.068 392 T CA 1.146 63.386 62.100 0.232 0.000 1.131 392 T CB -0.517 68.477 68.868 0.210 0.000 0.871 392 T HN 0.254 nan 8.240 nan 0.000 0.479 393 A N 2.085 125.039 122.820 0.225 0.000 1.872 393 A HA -0.109 4.214 4.320 0.006 0.000 0.214 393 A C 2.139 179.832 177.584 0.182 0.000 1.187 393 A CA 1.418 53.580 52.037 0.207 0.000 0.614 393 A CB -0.527 18.563 19.000 0.149 0.000 0.826 393 A HN 0.328 nan 8.150 nan 0.000 0.442 394 D N -1.494 118.998 120.400 0.153 0.000 2.144 394 D HA -0.166 4.478 4.640 0.006 0.000 0.199 394 D C 1.647 177.968 176.300 0.034 0.000 0.984 394 D CA 1.463 55.520 54.000 0.095 0.000 0.834 394 D CB -0.481 40.355 40.800 0.061 0.000 0.955 394 D HN 0.601 nan 8.370 nan 0.000 0.465 395 Y N 1.218 121.428 120.300 -0.150 0.000 2.151 395 Y HA -0.256 4.298 4.550 0.006 0.000 0.284 395 Y C 2.026 177.747 175.900 -0.300 0.000 1.166 395 Y CA 1.759 59.663 58.100 -0.327 0.000 1.163 395 Y CB -0.063 38.094 38.460 -0.504 0.000 0.974 395 Y HN 0.140 nan 8.280 nan 0.000 0.511 396 H N -0.980 118.185 119.070 0.158 0.000 2.551 396 H HA 0.101 4.661 4.556 0.006 0.000 0.271 396 H C -0.144 175.209 175.328 0.042 0.000 0.984 396 H CA 0.479 56.580 56.048 0.088 0.000 1.164 396 H CB -0.214 29.638 29.762 0.150 0.000 1.437 396 H HN 0.259 nan 8.280 nan 0.000 0.550 397 D N 1.822 122.296 120.400 0.124 0.000 2.336 397 D HA 0.057 4.701 4.640 0.006 0.000 0.249 397 D C -1.692 174.668 176.300 0.100 0.000 1.213 397 D CA -2.321 51.745 54.000 0.110 0.000 0.870 397 D CB 1.602 42.468 40.800 0.110 0.000 1.076 397 D HN 0.006 nan 8.370 nan 0.000 0.483 398 P HA -0.144 nan 4.420 nan 0.000 0.218 398 P C 0.281 177.727 177.300 0.243 0.000 1.146 398 P CA 1.196 64.402 63.100 0.177 0.000 0.820 398 P CB 0.227 31.970 31.700 0.072 0.000 0.778 399 E N -1.529 118.770 120.200 0.165 0.000 2.479 399 E HA 0.034 4.388 4.350 0.006 0.000 0.193 399 E C 1.400 178.089 176.600 0.148 0.000 1.049 399 E CA 0.412 56.908 56.400 0.160 0.000 0.870 399 E CB 0.092 29.863 29.700 0.118 0.000 0.944 399 E HN 0.337 nan 8.360 nan 0.000 0.492 400 K N 0.030 120.525 120.400 0.158 0.000 2.431 400 K HA 0.235 4.558 4.320 0.006 0.000 0.213 400 K C 0.067 176.814 176.600 0.244 0.000 1.258 400 K CA -0.302 56.116 56.287 0.218 0.000 0.845 400 K CB 0.724 33.350 32.500 0.211 0.000 1.498 400 K HN -0.181 nan 8.250 nan 0.000 0.451 401 R N 0.817 121.365 120.500 0.079 0.000 3.333 401 R HA -0.164 4.179 4.340 0.006 0.000 0.256 401 R C -0.474 175.846 176.300 0.033 0.000 1.010 401 R CA 0.272 56.322 56.100 -0.084 0.000 0.680 401 R CB -2.296 27.927 30.300 -0.128 0.000 1.102 401 R HN 0.301 nan 8.270 nan 0.000 0.440 402 A N 0.683 123.481 122.820 -0.037 0.000 2.272 402 A HA 0.679 5.002 4.320 0.006 0.000 0.275 402 A C 0.698 178.105 177.584 -0.295 0.000 1.096 402 A CA -0.350 51.572 52.037 -0.193 0.000 0.822 402 A CB 0.502 19.208 19.000 -0.491 0.000 1.088 402 A HN 0.387 nan 8.150 nan 0.000 0.495 403 I N 0.783 121.169 120.570 -0.307 0.000 2.933 403 I HA 0.295 4.468 4.170 0.006 0.000 0.306 403 I C 0.482 176.477 176.117 -0.203 0.000 1.516 403 I CA -0.144 61.010 61.300 -0.243 0.000 0.819 403 I CB 0.537 38.500 38.000 -0.061 0.000 2.085 403 I HN 0.619 nan 8.210 nan 0.000 0.621 404 A N 2.534 125.094 122.820 -0.434 0.000 2.407 404 A HA 0.662 4.986 4.320 0.006 0.000 0.248 404 A C -0.110 177.182 177.584 -0.486 0.000 1.082 404 A CA 0.090 51.727 52.037 -0.666 0.000 0.785 404 A CB 0.393 18.542 19.000 -1.419 0.000 1.020 404 A HN 0.592 nan 8.150 nan 0.000 0.489 405 N N -0.893 117.548 118.700 -0.432 0.000 2.405 405 N HA 0.639 5.382 4.740 0.006 0.000 0.274 405 N C -1.393 174.075 175.510 -0.069 0.000 1.170 405 N CA -0.035 52.914 53.050 -0.169 0.000 0.848 405 N CB 2.292 40.737 38.487 -0.070 0.000 1.629 405 N HN 0.914 nan 8.380 nan 0.000 0.481 406 A N 1.813 124.669 122.820 0.060 0.000 2.398 406 A HA 0.774 5.097 4.320 0.006 0.000 0.301 406 A C -0.946 176.655 177.584 0.028 0.000 1.041 406 A CA -0.527 51.565 52.037 0.091 0.000 0.711 406 A CB 0.751 19.878 19.000 0.212 0.000 1.240 406 A HN 0.559 nan 8.150 nan 0.000 0.420 407 I N 1.725 122.312 120.570 0.029 0.000 2.465 407 I HA 0.465 4.639 4.170 0.006 0.000 0.291 407 I C -0.415 175.721 176.117 0.032 0.000 1.014 407 I CA -0.393 60.916 61.300 0.015 0.000 1.093 407 I CB 2.540 40.548 38.000 0.014 0.000 1.267 407 I HN 0.549 nan 8.210 nan 0.000 0.431 408 T N 6.853 121.415 114.554 0.014 0.000 2.812 408 T HA 0.558 4.911 4.350 0.006 0.000 0.282 408 T C -0.337 174.320 174.700 -0.071 0.000 0.990 408 T CA -0.480 61.623 62.100 0.005 0.000 0.960 408 T CB 1.269 70.148 68.868 0.017 0.000 0.948 408 T HN 0.275 nan 8.240 nan 0.000 0.438 409 L N 3.226 124.365 121.223 -0.140 0.000 2.295 409 L HA 0.521 4.864 4.340 0.006 0.000 0.285 409 L C 0.289 176.711 176.870 -0.748 0.000 1.035 409 L CA -0.619 53.972 54.840 -0.414 0.000 0.806 409 L CB 1.385 43.173 42.059 -0.452 0.000 1.214 409 L HN 0.577 nan 8.230 nan 0.000 0.426 410 E N 3.350 123.148 120.200 -0.669 0.000 2.182 410 E HA 0.402 4.755 4.350 0.006 0.000 0.258 410 E C -1.328 174.949 176.600 -0.539 0.000 0.879 410 E CA -0.541 55.514 56.400 -0.575 0.000 0.754 410 E CB 1.560 31.107 29.700 -0.256 0.000 1.162 410 E HN 0.220 nan 8.360 nan 0.000 0.419 411 F N 0.415 120.260 119.950 -0.175 0.000 2.378 411 F HA 0.135 4.665 4.527 0.005 0.000 0.325 411 F C 2.146 177.883 175.800 -0.106 0.000 1.097 411 F CA -0.817 57.086 58.000 -0.163 0.000 1.079 411 F CB 0.712 39.577 39.000 -0.226 0.000 1.240 411 F HN 0.375 nan 8.300 nan 0.000 0.519 412 T N -3.427 111.197 114.554 0.117 0.000 2.977 412 T HA -0.209 4.145 4.350 0.006 0.000 0.271 412 T C 1.293 176.017 174.700 0.040 0.000 1.105 412 T CA 1.503 63.630 62.100 0.045 0.000 1.116 412 T CB -0.563 68.320 68.868 0.024 0.000 0.878 412 T HN 0.603 nan 8.240 nan 0.000 0.509 413 D N 1.296 121.734 120.400 0.064 0.000 2.384 413 D HA 0.100 4.744 4.640 0.006 0.000 0.222 413 D C 1.826 178.152 176.300 0.042 0.000 0.976 413 D CA 1.241 55.262 54.000 0.035 0.000 0.915 413 D CB -0.849 39.959 40.800 0.014 0.000 0.896 413 D HN 0.605 nan 8.370 nan 0.000 0.523 414 G N -0.622 108.205 108.800 0.045 0.000 2.253 414 G HA2 -0.298 3.665 3.960 0.006 0.000 0.251 414 G HA3 -0.298 3.665 3.960 0.006 0.000 0.251 414 G C 0.597 175.514 174.900 0.029 0.000 0.998 414 G CA 0.754 45.868 45.100 0.025 0.000 0.621 414 G HN 0.642 nan 8.290 nan 0.000 0.524 415 T N -0.181 114.414 114.554 0.068 0.000 2.922 415 T HA 0.694 5.048 4.350 0.006 0.000 0.285 415 T C 0.076 174.788 174.700 0.019 0.000 1.005 415 T CA -0.006 62.143 62.100 0.082 0.000 1.061 415 T CB 2.137 71.088 68.868 0.139 0.000 1.007 415 T HN 0.985 nan 8.240 nan 0.000 0.502 416 R N 1.396 121.888 120.500 -0.015 0.000 2.686 416 R HA 0.503 4.846 4.340 0.006 0.000 0.286 416 R C -1.548 174.786 176.300 0.056 0.000 0.969 416 R CA -0.889 55.118 56.100 -0.155 0.000 0.898 416 R CB 0.592 30.827 30.300 -0.109 0.000 1.183 416 R HN 0.493 nan 8.270 nan 0.000 0.456 417 F N 1.144 121.026 119.950 -0.113 0.000 2.380 417 F HA 0.305 4.836 4.527 0.006 0.000 0.325 417 F C 1.217 177.010 175.800 -0.011 0.000 1.136 417 F CA -0.919 57.085 58.000 0.006 0.000 1.171 417 F CB 0.463 39.489 39.000 0.042 0.000 1.230 417 F HN 0.525 nan 8.300 nan 0.000 0.554 418 E N 0.211 120.533 120.200 0.203 0.000 2.422 418 E HA -0.013 4.340 4.350 0.006 0.000 0.260 418 E C -0.227 176.429 176.600 0.094 0.000 1.108 418 E CA -0.165 56.295 56.400 0.100 0.000 0.943 418 E CB 0.357 30.086 29.700 0.049 0.000 0.961 418 E HN 0.459 nan 8.360 nan 0.000 0.443 419 E N 1.415 121.658 120.200 0.071 0.000 2.324 419 E HA 0.059 4.412 4.350 0.006 0.000 0.271 419 E C -1.108 175.530 176.600 0.063 0.000 1.028 419 E CA -0.392 56.050 56.400 0.070 0.000 0.890 419 E CB 0.684 30.425 29.700 0.070 0.000 1.004 419 E HN 0.120 nan 8.360 nan 0.000 0.431 420 V N 6.187 126.138 119.914 0.062 0.000 2.372 420 V HA 0.117 4.240 4.120 0.006 0.000 0.261 420 V C -0.019 176.106 176.094 0.052 0.000 1.055 420 V CA -0.469 61.861 62.300 0.050 0.000 0.930 420 V CB 0.941 32.793 31.823 0.049 0.000 1.031 420 V HN 0.447 nan 8.190 nan 0.000 0.479 421 V N 5.971 125.917 119.914 0.053 0.000 2.472 421 V HA 0.579 4.703 4.120 0.006 0.000 0.290 421 V C -0.163 175.938 176.094 0.012 0.000 1.037 421 V CA -0.493 61.841 62.300 0.056 0.000 0.908 421 V CB 1.977 33.861 31.823 0.102 0.000 0.985 421 V HN 0.566 nan 8.190 nan 0.000 0.454 422 V N 3.984 123.871 119.914 -0.045 0.000 2.567 422 V HA 0.347 4.471 4.120 0.006 0.000 0.298 422 V C 0.355 176.316 176.094 -0.223 0.000 1.047 422 V CA -0.390 61.862 62.300 -0.078 0.000 0.880 422 V CB 1.459 33.264 31.823 -0.031 0.000 1.009 422 V HN 0.949 nan 8.190 nan 0.000 0.429 423 E N 2.708 122.717 120.200 -0.319 0.000 2.166 423 E HA 0.110 4.463 4.350 0.006 0.000 0.192 423 E C -0.699 175.424 176.600 -0.796 0.000 0.967 423 E CA 0.857 56.855 56.400 -0.669 0.000 0.840 423 E CB 0.405 29.578 29.700 -0.879 0.000 0.795 423 E HN 0.693 nan 8.360 nan 0.000 0.470 424 Y N 0.412 120.574 120.300 -0.231 0.000 2.364 424 Y HA 0.332 4.885 4.550 0.006 0.000 0.340 424 Y C -2.320 173.518 175.900 -0.103 0.000 0.975 424 Y CA -3.426 54.484 58.100 -0.316 0.000 1.089 424 Y CB 0.955 39.108 38.460 -0.512 0.000 1.192 424 Y HN -0.121 nan 8.280 nan 0.000 0.454 425 P HA 0.073 nan 4.420 nan 0.000 0.270 425 P C 1.092 178.514 177.300 0.204 0.000 1.223 425 P CA -0.075 63.138 63.100 0.187 0.000 0.785 425 P CB 1.013 32.880 31.700 0.278 0.000 0.923 426 I N 1.016 121.679 120.570 0.155 0.000 2.567 426 I HA -0.128 4.045 4.170 0.006 0.000 0.257 426 I C 1.486 177.690 176.117 0.146 0.000 1.184 426 I CA 1.535 62.905 61.300 0.116 0.000 1.451 426 I CB -0.313 37.715 38.000 0.045 0.000 1.089 426 I HN 0.430 nan 8.210 nan 0.000 0.441 427 G N -0.438 108.492 108.800 0.218 0.000 3.233 427 G HA2 -0.062 3.901 3.960 0.006 0.000 0.227 427 G HA3 -0.062 3.901 3.960 0.006 0.000 0.227 427 G C 0.508 175.544 174.900 0.225 0.000 1.175 427 G CA -0.244 45.022 45.100 0.276 0.000 0.781 427 G HN 0.382 nan 8.290 nan 0.000 0.542 428 H N 0.637 119.764 119.070 0.095 0.000 2.511 428 H HA 0.404 4.964 4.556 0.006 0.000 0.346 428 H C 1.405 176.717 175.328 -0.026 0.000 1.128 428 H CA 0.046 56.096 56.048 0.003 0.000 1.342 428 H CB 1.858 31.647 29.762 0.045 0.000 1.470 428 H HN 0.003 nan 8.280 nan 0.000 0.546 429 A N 5.105 127.708 122.820 -0.362 0.000 2.194 429 A HA -0.148 4.175 4.320 0.006 0.000 0.220 429 A C 1.935 179.531 177.584 0.021 0.000 1.162 429 A CA 1.128 53.076 52.037 -0.148 0.000 0.674 429 A CB -0.243 18.600 19.000 -0.261 0.000 0.789 429 A HN 0.751 nan 8.150 nan 0.000 0.470 430 R N -0.958 119.679 120.500 0.228 0.000 2.388 430 R HA 0.176 4.519 4.340 0.006 0.000 0.247 430 R C 0.082 176.373 176.300 -0.015 0.000 0.931 430 R CA -0.038 56.036 56.100 -0.043 0.000 1.082 430 R CB 0.321 30.311 30.300 -0.517 0.000 1.135 430 R HN 0.268 nan 8.270 nan 0.000 0.525 431 R N 0.070 120.607 120.500 0.062 0.000 2.599 431 R HA 0.214 4.557 4.340 0.006 0.000 0.451 431 R C 0.687 177.011 176.300 0.040 0.000 0.988 431 R CA -0.320 55.813 56.100 0.054 0.000 1.085 431 R CB 0.607 30.961 30.300 0.090 0.000 1.452 431 R HN -0.031 nan 8.270 nan 0.000 0.596 432 R N 0.962 121.480 120.500 0.031 0.000 2.120 432 R HA -0.149 4.195 4.340 0.006 0.000 0.234 432 R C 1.878 178.154 176.300 -0.039 0.000 1.123 432 R CA 1.294 57.396 56.100 0.002 0.000 0.975 432 R CB -0.080 30.235 30.300 0.024 0.000 0.866 432 R HN 0.393 nan 8.270 nan 0.000 0.446 433 Q N 0.708 120.499 119.800 -0.014 0.000 2.135 433 Q HA -0.152 4.191 4.340 0.006 0.000 0.204 433 Q C 0.939 176.920 176.000 -0.031 0.000 0.981 433 Q CA 1.784 57.576 55.803 -0.019 0.000 0.856 433 Q CB 0.166 28.904 28.738 0.000 0.000 0.902 433 Q HN 0.298 nan 8.270 nan 0.000 0.425 434 D N -1.388 119.000 120.400 -0.020 0.000 2.277 434 D HA -0.003 4.640 4.640 0.006 0.000 0.209 434 D C 1.648 177.919 176.300 -0.048 0.000 0.970 434 D CA 0.992 54.978 54.000 -0.024 0.000 0.874 434 D CB -0.051 40.749 40.800 0.000 0.000 0.982 434 D HN 0.425 nan 8.370 nan 0.000 0.504 435 G N 2.059 110.833 108.800 -0.045 0.000 2.414 435 G HA2 -0.177 3.787 3.960 0.006 0.000 0.215 435 G HA3 -0.177 3.787 3.960 0.006 0.000 0.215 435 G C 1.647 176.451 174.900 -0.161 0.000 1.188 435 G CA 0.238 45.299 45.100 -0.065 0.000 0.783 435 G HN 0.085 nan 8.290 nan 0.000 0.537 436 I N 2.267 122.687 120.570 -0.250 0.000 2.113 436 I HA -0.163 4.010 4.170 0.006 0.000 0.242 436 I C 0.123 176.071 176.117 -0.281 0.000 1.057 436 I CA 1.402 62.443 61.300 -0.432 0.000 1.314 436 I CB -2.184 35.489 38.000 -0.546 0.000 1.022 436 I HN 0.147 nan 8.210 nan 0.000 0.408 437 P HA -0.158 nan 4.420 nan 0.000 0.216 437 P C 1.729 178.968 177.300 -0.101 0.000 1.150 437 P CA 1.638 64.674 63.100 -0.107 0.000 0.837 437 P CB -0.055 31.602 31.700 -0.072 0.000 0.786 438 K N -0.908 119.423 120.400 -0.115 0.000 2.167 438 K HA -0.017 4.307 4.320 0.006 0.000 0.203 438 K C 2.041 178.571 176.600 -0.115 0.000 1.052 438 K CA 0.687 56.907 56.287 -0.110 0.000 0.956 438 K CB -0.632 31.795 32.500 -0.121 0.000 0.735 438 K HN 0.164 nan 8.250 nan 0.000 0.451 439 L N 0.835 121.962 121.223 -0.161 0.000 2.056 439 L HA -0.147 4.196 4.340 0.006 0.000 0.207 439 L C 2.035 178.846 176.870 -0.097 0.000 1.078 439 L CA 0.939 55.669 54.840 -0.184 0.000 0.749 439 L CB -0.077 41.764 42.059 -0.362 0.000 0.901 439 L HN -0.115 nan 8.230 nan 0.000 0.433 440 V N 1.328 121.186 119.914 -0.094 0.000 2.295 440 V HA -0.300 3.823 4.120 0.006 0.000 0.246 440 V C 2.253 178.399 176.094 0.086 0.000 1.049 440 V CA 2.098 64.417 62.300 0.032 0.000 1.024 440 V CB -0.939 30.893 31.823 0.015 0.000 0.648 440 V HN 0.768 nan 8.190 nan 0.000 0.447 441 D N 0.220 120.628 120.400 0.014 0.000 2.309 441 D HA -0.237 4.406 4.640 0.006 0.000 0.212 441 D C 1.949 178.253 176.300 0.006 0.000 0.968 441 D CA 1.362 55.365 54.000 0.006 0.000 0.882 441 D CB -0.340 40.446 40.800 -0.023 0.000 0.918 441 D HN 0.473 nan 8.370 nan 0.000 0.503 442 K N -0.747 119.662 120.400 0.015 0.000 2.076 442 K HA -0.119 4.204 4.320 0.006 0.000 0.204 442 K C 1.837 178.490 176.600 0.088 0.000 1.051 442 K CA 0.622 56.919 56.287 0.016 0.000 0.949 442 K CB -0.378 32.116 32.500 -0.009 0.000 0.726 442 K HN 0.167 nan 8.250 nan 0.000 0.443 443 F N 2.407 122.348 119.950 -0.014 0.000 2.171 443 F HA -0.125 4.405 4.527 0.006 0.000 0.300 443 F C 1.709 177.533 175.800 0.040 0.000 1.090 443 F CA 1.597 59.614 58.000 0.028 0.000 1.293 443 F CB -0.001 39.012 39.000 0.022 0.000 1.013 443 F HN -0.047 nan 8.300 nan 0.000 0.486 444 K N 0.365 120.709 120.400 -0.094 0.000 2.025 444 K HA -0.124 4.199 4.320 0.006 0.000 0.207 444 K C 2.164 178.680 176.600 -0.140 0.000 1.049 444 K CA 1.988 58.169 56.287 -0.177 0.000 0.933 444 K CB -0.354 32.115 32.500 -0.051 0.000 0.714 444 K HN 0.310 nan 8.250 nan 0.000 0.438 445 I N 1.753 122.282 120.570 -0.068 0.000 2.208 445 I HA -0.314 3.860 4.170 0.006 0.000 0.245 445 I C 1.805 177.901 176.117 -0.034 0.000 1.097 445 I CA 1.038 62.313 61.300 -0.042 0.000 1.363 445 I CB -0.350 37.636 38.000 -0.023 0.000 1.051 445 I HN 0.231 nan 8.210 nan 0.000 0.413 446 N N 0.863 119.545 118.700 -0.029 0.000 2.188 446 N HA -0.102 4.641 4.740 0.006 0.000 0.184 446 N C 1.983 177.488 175.510 -0.008 0.000 1.018 446 N CA 1.164 54.224 53.050 0.017 0.000 0.858 446 N CB -0.336 38.203 38.487 0.086 0.000 0.989 446 N HN 0.336 nan 8.380 nan 0.000 0.426 447 L N 0.799 121.942 121.223 -0.133 0.000 2.079 447 L HA -0.125 4.218 4.340 0.006 0.000 0.210 447 L C 2.269 179.177 176.870 0.063 0.000 1.081 447 L CA 1.105 55.908 54.840 -0.061 0.000 0.752 447 L CB -0.438 41.408 42.059 -0.355 0.000 0.896 447 L HN 0.124 nan 8.230 nan 0.000 0.433 448 A N -0.210 122.597 122.820 -0.023 0.000 2.119 448 A HA -0.126 4.198 4.320 0.006 0.000 0.217 448 A C 2.254 179.826 177.584 -0.021 0.000 1.153 448 A CA 0.849 52.879 52.037 -0.013 0.000 0.692 448 A CB -0.383 18.599 19.000 -0.030 0.000 0.799 448 A HN 0.341 nan 8.150 nan 0.000 0.458 449 R N -1.040 119.448 120.500 -0.019 0.000 2.235 449 R HA -0.017 4.326 4.340 0.006 0.000 0.213 449 R C 1.269 177.505 176.300 -0.108 0.000 1.059 449 R CA 1.085 57.164 56.100 -0.035 0.000 0.997 449 R CB 0.080 30.385 30.300 0.008 0.000 0.884 449 R HN 0.482 nan 8.270 nan 0.000 0.462 450 Q N -1.501 118.185 119.800 -0.190 0.000 2.360 450 Q HA 0.198 4.542 4.340 0.006 0.000 0.261 450 Q C -0.200 175.435 176.000 -0.609 0.000 0.802 450 Q CA 0.545 56.068 55.803 -0.466 0.000 0.983 450 Q CB 0.723 29.009 28.738 -0.754 0.000 1.211 450 Q HN 0.077 nan 8.270 nan 0.000 0.523 451 F N 2.601 122.498 119.950 -0.088 0.000 2.523 451 F HA 0.525 5.055 4.527 0.006 0.000 0.329 451 F C -1.857 173.887 175.800 -0.092 0.000 1.061 451 F CA -2.325 55.614 58.000 -0.102 0.000 0.967 451 F CB 0.737 39.649 39.000 -0.147 0.000 1.218 451 F HN -0.182 nan 8.300 nan 0.000 0.480 452 P HA 0.126 nan 4.420 nan 0.000 0.279 452 P C 0.334 177.646 177.300 0.020 0.000 1.282 452 P CA -0.188 62.934 63.100 0.036 0.000 0.788 452 P CB 0.718 32.430 31.700 0.020 0.000 1.139 453 T N -0.123 114.429 114.554 -0.004 0.000 2.635 453 T HA -0.182 4.172 4.350 0.006 0.000 0.267 453 T C 1.953 176.635 174.700 -0.031 0.000 1.040 453 T CA 1.495 63.584 62.100 -0.018 0.000 1.156 453 T CB -0.458 68.399 68.868 -0.018 0.000 0.863 453 T HN 0.428 nan 8.240 nan 0.000 0.430 454 R N 0.458 120.941 120.500 -0.028 0.000 2.091 454 R HA -0.097 4.247 4.340 0.006 0.000 0.238 454 R C 2.727 178.983 176.300 -0.073 0.000 1.136 454 R CA 1.514 57.589 56.100 -0.041 0.000 0.959 454 R CB -0.231 30.049 30.300 -0.032 0.000 0.856 454 R HN 0.511 nan 8.270 nan 0.000 0.437 455 Q N 0.042 119.796 119.800 -0.078 0.000 2.119 455 Q HA -0.184 4.160 4.340 0.006 0.000 0.201 455 Q C 2.088 177.926 176.000 -0.269 0.000 0.972 455 Q CA 1.363 57.057 55.803 -0.180 0.000 0.847 455 Q CB 0.140 28.794 28.738 -0.139 0.000 0.903 455 Q HN 0.430 nan 8.270 nan 0.000 0.433 456 Q N -0.149 119.552 119.800 -0.166 0.000 2.181 456 Q HA -0.225 4.118 4.340 0.006 0.000 0.205 456 Q C 1.958 177.865 176.000 -0.155 0.000 0.980 456 Q CA 1.250 56.944 55.803 -0.182 0.000 0.862 456 Q CB 0.012 28.692 28.738 -0.096 0.000 0.905 456 Q HN 0.401 nan 8.270 nan 0.000 0.429 457 Q N 0.033 119.769 119.800 -0.107 0.000 2.096 457 Q HA -0.061 4.282 4.340 0.006 0.000 0.197 457 Q C 2.104 178.064 176.000 -0.067 0.000 0.964 457 Q CA 0.539 56.302 55.803 -0.067 0.000 0.838 457 Q CB 0.122 28.833 28.738 -0.046 0.000 0.906 457 Q HN 0.189 nan 8.270 nan 0.000 0.444 458 R N 0.331 120.770 120.500 -0.102 0.000 2.096 458 R HA -0.114 4.229 4.340 0.006 0.000 0.235 458 R C 2.019 178.256 176.300 -0.105 0.000 1.127 458 R CA 1.124 57.166 56.100 -0.097 0.000 0.968 458 R CB -0.079 30.146 30.300 -0.125 0.000 0.861 458 R HN 0.272 nan 8.270 nan 0.000 0.440 459 I N 0.268 120.718 120.570 -0.200 0.000 2.277 459 I HA -0.249 3.925 4.170 0.006 0.000 0.243 459 I C 2.253 178.410 176.117 0.067 0.000 1.094 459 I CA 0.484 61.667 61.300 -0.195 0.000 1.393 459 I CB -0.186 37.480 38.000 -0.556 0.000 1.078 459 I HN 0.184 nan 8.210 nan 0.000 0.417 460 L N 1.143 122.402 121.223 0.060 0.000 2.017 460 L HA -0.226 4.117 4.340 0.006 0.000 0.208 460 L C 2.334 179.296 176.870 0.152 0.000 1.073 460 L CA 1.976 56.933 54.840 0.195 0.000 0.745 460 L CB -0.497 41.625 42.059 0.105 0.000 0.894 460 L HN 0.150 nan 8.230 nan 0.000 0.432 461 E N -1.332 118.917 120.200 0.082 0.000 2.160 461 E HA -0.202 4.151 4.350 0.006 0.000 0.195 461 E C 2.087 178.741 176.600 0.090 0.000 0.991 461 E CA 1.574 58.016 56.400 0.070 0.000 0.810 461 E CB -0.067 29.654 29.700 0.036 0.000 0.742 461 E HN 0.410 nan 8.360 nan 0.000 0.466 462 V N -0.054 119.932 119.914 0.119 0.000 2.446 462 V HA -0.161 3.963 4.120 0.006 0.000 0.244 462 V C 2.119 178.325 176.094 0.187 0.000 1.039 462 V CA 1.496 63.888 62.300 0.153 0.000 1.045 462 V CB -0.218 31.739 31.823 0.223 0.000 0.681 462 V HN 0.179 nan 8.190 nan 0.000 0.459 463 S N 0.430 116.288 115.700 0.263 0.000 2.382 463 S HA -0.092 4.382 4.470 0.006 0.000 0.228 463 S C 1.884 176.596 174.600 0.187 0.000 1.027 463 S CA 1.497 59.838 58.200 0.234 0.000 0.991 463 S CB -0.299 63.051 63.200 0.249 0.000 0.823 463 S HN 0.459 nan 8.310 nan 0.000 0.469 464 L N 0.906 122.222 121.223 0.155 0.000 2.131 464 L HA 0.049 4.392 4.340 0.006 0.000 0.206 464 L C 0.973 177.935 176.870 0.154 0.000 1.087 464 L CA 0.544 55.474 54.840 0.149 0.000 0.767 464 L CB -0.401 41.731 42.059 0.122 0.000 0.917 464 L HN 0.182 nan 8.230 nan 0.000 0.441 465 D N 0.973 121.423 120.400 0.084 0.000 2.455 465 D HA -0.033 4.610 4.640 0.006 0.000 0.234 465 D C 1.326 177.585 176.300 -0.068 0.000 1.224 465 D CA 0.171 54.181 54.000 0.016 0.000 0.999 465 D CB 0.575 41.383 40.800 0.013 0.000 1.072 465 D HN -0.011 nan 8.370 nan 0.000 0.514 466 R N 2.638 123.039 120.500 -0.166 0.000 2.105 466 R HA -0.165 4.178 4.340 0.006 0.000 0.239 466 R C 1.721 177.860 176.300 -0.268 0.000 1.135 466 R CA 1.290 57.145 56.100 -0.409 0.000 0.967 466 R CB -0.094 29.868 30.300 -0.564 0.000 0.861 466 R HN 0.498 nan 8.270 nan 0.000 0.442 467 A N 0.743 123.460 122.820 -0.171 0.000 1.933 467 A HA -0.196 4.128 4.320 0.006 0.000 0.218 467 A C 2.197 179.713 177.584 -0.113 0.000 1.175 467 A CA 1.457 53.414 52.037 -0.134 0.000 0.628 467 A CB -0.445 18.499 19.000 -0.094 0.000 0.814 467 A HN 0.293 nan 8.150 nan 0.000 0.444 468 R N -0.652 119.794 120.500 -0.090 0.000 2.062 468 R HA 0.044 4.388 4.340 0.006 0.000 0.229 468 R C 2.158 178.412 176.300 -0.076 0.000 1.128 468 R CA 1.122 57.186 56.100 -0.060 0.000 0.960 468 R CB -0.383 29.901 30.300 -0.025 0.000 0.855 468 R HN 0.509 nan 8.270 nan 0.000 0.432 469 L N 1.241 122.397 121.223 -0.112 0.000 1.990 469 L HA -0.246 4.097 4.340 0.006 0.000 0.213 469 L C 2.039 178.792 176.870 -0.194 0.000 1.072 469 L CA 1.994 56.730 54.840 -0.173 0.000 0.755 469 L CB -0.408 41.503 42.059 -0.246 0.000 0.889 469 L HN 0.394 nan 8.230 nan 0.000 0.432 470 E N -0.581 119.495 120.200 -0.207 0.000 2.097 470 E HA -0.234 4.120 4.350 0.006 0.000 0.196 470 E C 1.039 177.562 176.600 -0.127 0.000 1.000 470 E CA 0.879 57.172 56.400 -0.179 0.000 0.804 470 E CB -0.071 29.511 29.700 -0.198 0.000 0.740 470 E HN 0.608 nan 8.360 nan 0.000 0.454 474 V N 1.131 121.077 119.914 0.053 0.000 2.324 474 V HA -0.286 3.838 4.120 0.006 0.000 0.250 474 V C 2.254 178.424 176.094 0.126 0.000 1.060 474 V CA 2.331 64.687 62.300 0.093 0.000 1.042 474 V CB -0.752 31.110 31.823 0.065 0.000 0.650 474 V HN 0.858 nan 8.190 nan 0.000 0.450 475 N N 0.722 119.473 118.700 0.085 0.000 2.166 475 N HA -0.254 4.490 4.740 0.006 0.000 0.186 475 N C 1.588 177.151 175.510 0.089 0.000 1.019 475 N CA 1.869 54.968 53.050 0.082 0.000 0.856 475 N CB -0.382 38.137 38.487 0.053 0.000 0.993 475 N HN 0.630 nan 8.380 nan 0.000 0.426 476 E N -0.718 119.538 120.200 0.094 0.000 2.274 476 E HA -0.142 4.211 4.350 0.006 0.000 0.194 476 E C 1.278 177.958 176.600 0.134 0.000 0.996 476 E CA 0.509 56.964 56.400 0.091 0.000 0.840 476 E CB -0.168 29.579 29.700 0.079 0.000 0.772 476 E HN 0.427 nan 8.360 nan 0.000 0.491 477 Y N 0.815 121.151 120.300 0.060 0.000 2.314 477 Y HA 0.016 4.570 4.550 0.006 0.000 0.294 477 Y C 1.767 177.763 175.900 0.160 0.000 1.119 477 Y CA 0.827 58.986 58.100 0.098 0.000 1.179 477 Y CB 0.091 38.597 38.460 0.077 0.000 1.025 477 Y HN -0.085 nan 8.280 nan 0.000 0.541 478 L N -0.128 121.134 121.223 0.065 0.000 2.376 478 L HA -0.133 4.210 4.340 0.006 0.000 0.219 478 L C 1.588 178.492 176.870 0.057 0.000 1.133 478 L CA 0.871 55.719 54.840 0.014 0.000 0.816 478 L CB -0.419 41.673 42.059 0.055 0.000 0.933 478 L HN 0.187 nan 8.230 nan 0.000 0.449 479 D N 0.446 120.872 120.400 0.043 0.000 2.178 479 D HA -0.133 4.510 4.640 0.006 0.000 0.201 479 D C 2.343 178.645 176.300 0.002 0.000 0.980 479 D CA 1.045 55.066 54.000 0.035 0.000 0.842 479 D CB 0.089 40.906 40.800 0.029 0.000 0.948 479 D HN 0.331 nan 8.370 nan 0.000 0.472 480 L N -0.328 120.860 121.223 -0.058 0.000 2.083 480 L HA -0.182 4.162 4.340 0.006 0.000 0.209 480 L C 1.846 178.542 176.870 -0.291 0.000 1.083 480 L CA 0.945 55.667 54.840 -0.197 0.000 0.752 480 L CB -0.466 41.397 42.059 -0.328 0.000 0.899 480 L HN 0.061 nan 8.230 nan 0.000 0.433 481 Y N -0.604 119.540 120.300 -0.259 0.000 2.529 481 Y HA 0.075 4.628 4.550 0.006 0.000 0.290 481 Y C 1.024 177.048 175.900 0.206 0.000 1.177 481 Y CA -0.517 57.511 58.100 -0.120 0.000 1.305 481 Y CB -0.565 37.888 38.460 -0.012 0.000 1.047 481 Y HN -0.152 nan 8.280 nan 0.000 0.522 482 V N 1.755 121.799 119.914 0.216 0.000 2.924 482 V HA -0.002 4.122 4.120 0.006 0.000 0.305 482 V C 0.602 176.803 176.094 0.180 0.000 1.073 482 V CA -0.488 61.913 62.300 0.168 0.000 1.098 482 V CB 0.915 32.789 31.823 0.084 0.000 1.000 482 V HN 0.040 nan 8.190 nan 0.000 0.484 483 I N 0.000 120.617 120.570 0.078 0.000 2.984 483 I HA 0.000 4.173 4.170 0.006 0.000 0.288 483 I CA 0.000 61.310 61.300 0.016 0.000 1.566 483 I CB 0.000 37.949 38.000 -0.085 0.000 1.214 483 I HN 0.000 nan 8.210 nan 0.000 0.494