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 1u7c_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF XXICTALVLF XTIPGIALFY GGLIRGKNVL SXLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLASGEGN NFFGNINWLX LKNIELTAVX GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFPAVLIFV VVWLTLSYIP IAHXVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLI GKRVGFGKEA FKPHNLPXVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGLPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTXL DATA SEQUENCE KRLLRVDDPC DVFGVHGVCG IVGCIXTGIF AASSLGGVGF AEGVTXGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRV 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.566 177.584 -0.030 0.000 1.274 3 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 3 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 4 V N 0.889 120.771 119.914 -0.053 0.000 2.495 4 V HA 0.666 4.787 4.120 0.000 0.000 0.298 4 V C 0.619 176.622 176.094 -0.151 0.000 1.031 4 V CA -0.126 62.129 62.300 -0.075 0.000 0.871 4 V CB 1.153 32.950 31.823 -0.044 0.000 0.988 4 V HN 1.670 nan 8.190 nan 0.000 0.432 5 A N 3.234 125.883 122.820 -0.284 0.000 2.425 5 A HA 0.333 4.653 4.320 0.000 0.000 0.249 5 A C 0.091 177.521 177.584 -0.257 0.000 1.084 5 A CA -0.098 51.674 52.037 -0.442 0.000 0.781 5 A CB 0.157 18.462 19.000 -1.158 0.000 1.019 5 A HN 0.856 nan 8.150 nan 0.000 0.490 6 D N 2.024 122.308 120.400 -0.193 0.000 2.317 6 D HA 0.168 4.808 4.640 0.000 0.000 0.234 6 D C 0.667 176.915 176.300 -0.086 0.000 1.112 6 D CA -0.328 53.608 54.000 -0.107 0.000 0.840 6 D CB 0.812 41.565 40.800 -0.079 0.000 1.078 6 D HN 0.549 nan 8.370 nan 0.000 0.486 7 K N 2.349 122.722 120.400 -0.046 0.000 2.152 7 K HA -0.145 4.175 4.320 0.000 0.000 0.206 7 K C 1.764 178.372 176.600 0.013 0.000 1.048 7 K CA 1.075 57.361 56.287 -0.001 0.000 0.933 7 K CB 0.113 32.627 32.500 0.023 0.000 0.721 7 K HN 0.457 nan 8.250 nan 0.000 0.447 8 A N 1.999 124.818 122.820 -0.002 0.000 1.902 8 A HA -0.196 4.124 4.320 0.000 0.000 0.217 8 A C 1.624 179.234 177.584 0.043 0.000 1.181 8 A CA 1.799 53.841 52.037 0.008 0.000 0.623 8 A CB -0.296 18.687 19.000 -0.028 0.000 0.818 8 A HN 0.170 nan 8.150 nan 0.000 0.443 9 D N 0.090 120.502 120.400 0.020 0.000 2.144 9 D HA -0.109 4.531 4.640 0.000 0.000 0.200 9 D C 1.614 177.959 176.300 0.074 0.000 0.978 9 D CA 0.977 55.014 54.000 0.062 0.000 0.833 9 D CB -0.412 40.388 40.800 -0.001 0.000 0.961 9 D HN 0.339 nan 8.370 nan 0.000 0.470 10 N N 1.109 119.825 118.700 0.027 0.000 2.069 10 N HA -0.135 4.605 4.740 0.000 0.000 0.191 10 N C 1.801 177.355 175.510 0.073 0.000 1.031 10 N CA 1.416 54.494 53.050 0.047 0.000 0.852 10 N CB -0.428 38.104 38.487 0.075 0.000 1.018 10 N HN 0.130 nan 8.380 nan 0.000 0.423 11 A N 1.136 124.008 122.820 0.086 0.000 1.858 11 A HA -0.096 4.224 4.320 0.000 0.000 0.216 11 A C 1.254 178.913 177.584 0.126 0.000 1.190 11 A CA 0.518 52.611 52.037 0.093 0.000 0.617 11 A CB -0.922 18.130 19.000 0.087 0.000 0.827 11 A HN 0.249 nan 8.150 nan 0.000 0.443 16 C N 1.476 120.687 119.300 -0.149 0.000 2.425 16 C HA -0.126 4.334 4.460 0.000 0.000 0.277 16 C C 2.841 177.942 174.990 0.186 0.000 1.280 16 C CA 2.187 61.163 59.018 -0.071 0.000 1.744 16 C CB -0.906 26.629 27.740 -0.341 0.000 1.989 16 C HN 0.533 nan 8.230 nan 0.000 0.491 17 T N 1.043 115.726 114.554 0.215 0.000 2.746 17 T HA -0.113 4.237 4.350 0.000 0.000 0.267 17 T C 2.133 176.914 174.700 0.135 0.000 1.039 17 T CA 1.600 63.862 62.100 0.271 0.000 1.142 17 T CB -0.407 68.597 68.868 0.228 0.000 0.866 17 T HN 0.640 nan 8.240 nan 0.000 0.444 18 A N 1.224 124.097 122.820 0.088 0.000 1.908 18 A HA -0.008 4.312 4.320 0.000 0.000 0.218 18 A C 2.302 179.933 177.584 0.078 0.000 1.181 18 A CA 1.229 53.300 52.037 0.056 0.000 0.627 18 A CB -0.874 18.131 19.000 0.007 0.000 0.818 18 A HN 0.474 nan 8.150 nan 0.000 0.445 19 L N -0.627 120.655 121.223 0.099 0.000 2.046 19 L HA -0.155 4.185 4.340 0.000 0.000 0.208 19 L C 2.496 179.465 176.870 0.166 0.000 1.077 19 L CA 1.033 55.975 54.840 0.170 0.000 0.747 19 L CB -0.444 41.718 42.059 0.172 0.000 0.896 19 L HN 0.259 nan 8.230 nan 0.000 0.432 20 V N -0.093 119.881 119.914 0.100 0.000 2.427 20 V HA -0.252 3.868 4.120 0.000 0.000 0.248 20 V C 2.343 178.425 176.094 -0.020 0.000 1.051 20 V CA 1.372 63.661 62.300 -0.019 0.000 1.048 20 V CB -0.318 31.436 31.823 -0.115 0.000 0.666 20 V HN 0.345 nan 8.190 nan 0.000 0.456 21 L N -1.411 119.847 121.223 0.058 0.000 2.083 21 L HA -0.089 4.251 4.340 0.000 0.000 0.209 21 L C 1.615 178.524 176.870 0.065 0.000 1.083 21 L CA 0.792 55.685 54.840 0.090 0.000 0.752 21 L CB -0.443 41.705 42.059 0.147 0.000 0.899 21 L HN 0.310 nan 8.230 nan 0.000 0.433 25 I N 4.225 124.590 120.570 -0.341 0.000 2.371 25 I HA 0.352 4.522 4.170 0.000 0.000 0.282 25 I C -2.145 173.921 176.117 -0.085 0.000 1.031 25 I CA -2.289 58.825 61.300 -0.310 0.000 1.180 25 I CB 1.077 38.747 38.000 -0.549 0.000 1.336 25 I HN 0.129 nan 8.210 nan 0.000 0.467 26 P HA 0.161 nan 4.420 nan 0.000 0.282 26 P C 1.245 178.429 177.300 -0.194 0.000 1.373 26 P CA 0.144 63.161 63.100 -0.139 0.000 1.001 26 P CB 1.046 32.705 31.700 -0.068 0.000 1.489 27 G N 2.168 110.776 108.800 -0.320 0.000 2.764 27 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 27 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 27 G C 1.309 176.098 174.900 -0.186 0.000 1.259 27 G CA 1.168 46.074 45.100 -0.325 0.000 0.793 27 G HN 0.276 nan 8.290 nan 0.000 0.633 28 I N 1.785 122.252 120.570 -0.172 0.000 2.493 28 I HA 0.045 4.215 4.170 0.000 0.000 0.254 28 I C 2.964 179.129 176.117 0.080 0.000 1.160 28 I CA 1.201 62.447 61.300 -0.089 0.000 1.445 28 I CB -0.360 37.596 38.000 -0.073 0.000 1.086 28 I HN 0.235 nan 8.210 nan 0.000 0.433 29 A N 0.024 122.862 122.820 0.030 0.000 1.898 29 A HA -0.120 4.200 4.320 0.000 0.000 0.216 29 A C 2.273 179.890 177.584 0.055 0.000 1.181 29 A CA 1.574 53.651 52.037 0.066 0.000 0.620 29 A CB -0.848 18.151 19.000 -0.001 0.000 0.819 29 A HN 0.446 nan 8.150 nan 0.000 0.442 30 L N -2.138 119.084 121.223 -0.001 0.000 2.093 30 L HA -0.119 4.221 4.340 0.000 0.000 0.208 30 L C 2.458 179.311 176.870 -0.030 0.000 1.085 30 L CA 1.354 56.180 54.840 -0.023 0.000 0.755 30 L CB -0.565 41.460 42.059 -0.057 0.000 0.904 30 L HN 0.483 nan 8.230 nan 0.000 0.435 31 F N 0.266 120.098 119.950 -0.197 0.000 2.043 31 F HA -0.321 4.206 4.527 0.000 0.000 0.297 31 F C 2.367 177.994 175.800 -0.289 0.000 1.121 31 F CA 1.807 59.627 58.000 -0.300 0.000 1.199 31 F CB -0.435 38.308 39.000 -0.429 0.000 0.968 31 F HN -0.059 nan 8.300 nan 0.000 0.478 32 Y N 0.363 120.649 120.300 -0.022 0.000 2.373 32 Y HA 0.044 4.594 4.550 0.000 0.000 0.293 32 Y C 2.672 178.481 175.900 -0.152 0.000 1.129 32 Y CA 0.921 58.943 58.100 -0.129 0.000 1.226 32 Y CB -1.317 37.133 38.460 -0.018 0.000 1.000 32 Y HN 0.146 nan 8.280 nan 0.000 0.549 33 G N -0.492 108.334 108.800 0.045 0.000 2.475 33 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 33 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 33 G C 1.953 176.820 174.900 -0.055 0.000 1.125 33 G CA 1.021 46.123 45.100 0.002 0.000 0.755 33 G HN 0.512 nan 8.290 nan 0.000 0.565 34 G N -0.202 108.510 108.800 -0.147 0.000 2.880 34 G HA2 0.218 4.178 3.960 0.000 0.000 0.209 34 G HA3 0.218 4.178 3.960 0.000 0.000 0.209 34 G C 1.436 176.181 174.900 -0.258 0.000 1.157 34 G CA 0.000 44.987 45.100 -0.189 0.000 0.779 34 G HN 0.431 nan 8.290 nan 0.000 0.539 35 L N 0.309 121.363 121.223 -0.281 0.000 2.638 35 L HA 0.415 4.755 4.340 0.000 0.000 0.232 35 L C 0.944 177.836 176.870 0.036 0.000 1.099 35 L CA -0.057 54.580 54.840 -0.338 0.000 0.883 35 L CB 0.095 41.850 42.059 -0.506 0.000 1.136 35 L HN 0.255 nan 8.230 nan 0.000 0.492 36 I N -2.091 118.500 120.570 0.035 0.000 2.822 36 I HA 0.449 4.619 4.170 0.000 0.000 0.312 36 I C 0.078 176.228 176.117 0.055 0.000 1.011 36 I CA -1.143 60.199 61.300 0.070 0.000 1.105 36 I CB 1.143 39.166 38.000 0.038 0.000 1.291 36 I HN -0.027 nan 8.210 nan 0.000 0.474 37 R N 3.076 123.604 120.500 0.048 0.000 2.590 37 R HA 0.175 4.515 4.340 0.000 0.000 0.274 37 R C 0.855 177.168 176.300 0.023 0.000 1.061 37 R CA 0.053 56.173 56.100 0.033 0.000 1.081 37 R CB -0.638 29.672 30.300 0.016 0.000 0.984 37 R HN 0.970 nan 8.270 nan 0.000 0.448 38 G N 2.791 111.604 108.800 0.023 0.000 2.507 38 G HA2 -0.398 3.562 3.960 0.000 0.000 0.221 38 G HA3 -0.398 3.562 3.960 0.000 0.000 0.221 38 G C 1.231 176.139 174.900 0.013 0.000 1.119 38 G CA 1.179 46.291 45.100 0.019 0.000 0.751 38 G HN 0.855 nan 8.290 nan 0.000 0.574 39 K N -0.117 120.287 120.400 0.007 0.000 2.280 39 K HA -0.017 4.303 4.320 0.000 0.000 0.202 39 K C 1.354 177.958 176.600 0.005 0.000 1.047 39 K CA 1.399 57.688 56.287 0.002 0.000 0.942 39 K CB -0.075 32.421 32.500 -0.006 0.000 0.739 39 K HN 0.197 nan 8.250 nan 0.000 0.457 40 N N 0.485 119.189 118.700 0.008 0.000 2.184 40 N HA 0.038 4.778 4.740 0.000 0.000 0.206 40 N C 1.370 176.889 175.510 0.016 0.000 1.151 40 N CA 0.137 53.193 53.050 0.010 0.000 0.878 40 N CB 0.785 39.273 38.487 0.002 0.000 1.014 40 N HN -0.023 nan 8.380 nan 0.000 0.512 41 V N 1.646 121.571 119.914 0.018 0.000 2.287 41 V HA -0.193 3.927 4.120 0.000 0.000 0.248 41 V C 2.385 178.496 176.094 0.029 0.000 1.053 41 V CA 1.397 63.710 62.300 0.023 0.000 1.027 41 V CB -0.450 31.386 31.823 0.022 0.000 0.646 41 V HN 0.244 nan 8.190 nan 0.000 0.447 42 L N -0.374 120.866 121.223 0.030 0.000 2.042 42 L HA -0.115 4.225 4.340 0.000 0.000 0.210 42 L C 1.714 178.617 176.870 0.055 0.000 1.076 42 L CA 0.806 55.669 54.840 0.037 0.000 0.749 42 L CB -0.655 41.422 42.059 0.030 0.000 0.893 42 L HN 0.293 nan 8.230 nan 0.000 0.432 46 T N 0.132 114.753 114.554 0.112 0.000 2.737 46 T HA -0.175 4.175 4.350 0.000 0.000 0.265 46 T C 1.612 176.448 174.700 0.227 0.000 1.038 46 T CA 1.716 63.930 62.100 0.191 0.000 1.144 46 T CB -0.097 68.918 68.868 0.244 0.000 0.866 46 T HN 0.276 nan 8.240 nan 0.000 0.434 47 Q N 0.212 120.092 119.800 0.133 0.000 2.084 47 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 47 Q C 2.599 178.574 176.000 -0.041 0.000 0.978 47 Q CA 1.099 56.850 55.803 -0.087 0.000 0.844 47 Q CB -0.364 28.278 28.738 -0.161 0.000 0.898 47 Q HN 0.341 nan 8.270 nan 0.000 0.426 48 V N 0.495 120.416 119.914 0.013 0.000 2.343 48 V HA -0.253 3.867 4.120 0.000 0.000 0.247 48 V C 2.167 178.314 176.094 0.088 0.000 1.051 48 V CA 2.153 64.475 62.300 0.036 0.000 1.036 48 V CB -0.731 31.108 31.823 0.028 0.000 0.654 48 V HN 0.435 nan 8.190 nan 0.000 0.451 49 T N -0.196 114.413 114.554 0.092 0.000 2.737 49 T HA -0.134 4.216 4.350 0.000 0.000 0.265 49 T C 1.931 176.762 174.700 0.218 0.000 1.038 49 T CA 1.600 63.783 62.100 0.138 0.000 1.144 49 T CB -0.168 68.764 68.868 0.107 0.000 0.866 49 T HN 0.284 nan 8.240 nan 0.000 0.434 50 V N 2.344 122.369 119.914 0.185 0.000 2.379 50 V HA -0.156 3.964 4.120 0.000 0.000 0.245 50 V C 3.010 179.174 176.094 0.116 0.000 1.044 50 V CA 2.076 64.491 62.300 0.192 0.000 1.036 50 V CB -1.300 30.725 31.823 0.338 0.000 0.664 50 V HN 0.718 nan 8.190 nan 0.000 0.453 51 T N -1.568 113.019 114.554 0.054 0.000 2.867 51 T HA -0.209 4.141 4.350 0.000 0.000 0.268 51 T C 1.795 176.542 174.700 0.078 0.000 1.057 51 T CA 1.515 63.633 62.100 0.031 0.000 1.136 51 T CB -0.582 68.285 68.868 -0.002 0.000 0.874 51 T HN 0.396 nan 8.240 nan 0.000 0.466 52 F N 2.937 122.880 119.950 -0.011 0.000 2.102 52 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 52 F C 2.583 178.379 175.800 -0.006 0.000 1.105 52 F CA 0.903 58.893 58.000 -0.017 0.000 1.239 52 F CB -0.924 38.069 39.000 -0.012 0.000 0.991 52 F HN 0.249 nan 8.300 nan 0.000 0.474 53 A N 0.621 123.433 122.820 -0.012 0.000 1.877 53 A HA -0.171 4.150 4.320 0.000 0.000 0.216 53 A C 2.142 179.650 177.584 -0.127 0.000 1.186 53 A CA 1.752 53.724 52.037 -0.109 0.000 0.620 53 A CB -1.379 17.662 19.000 0.068 0.000 0.822 53 A HN 0.531 nan 8.150 nan 0.000 0.443 54 L N 0.067 121.262 121.223 -0.047 0.000 2.012 54 L HA -0.135 4.205 4.340 0.000 0.000 0.210 54 L C 2.383 179.205 176.870 -0.079 0.000 1.073 54 L CA 2.092 56.912 54.840 -0.034 0.000 0.748 54 L CB -0.625 41.437 42.059 0.006 0.000 0.891 54 L HN 0.157 nan 8.230 nan 0.000 0.431 55 V N -1.177 118.668 119.914 -0.114 0.000 2.343 55 V HA -0.351 3.769 4.120 0.000 0.000 0.247 55 V C 2.669 178.675 176.094 -0.147 0.000 1.051 55 V CA 1.839 64.065 62.300 -0.123 0.000 1.036 55 V CB -0.869 30.861 31.823 -0.154 0.000 0.654 55 V HN 0.651 nan 8.190 nan 0.000 0.451 56 C N -0.185 118.937 119.300 -0.296 0.000 2.413 56 C HA -0.167 4.293 4.460 0.000 0.000 0.276 56 C C 2.597 177.531 174.990 -0.093 0.000 1.248 56 C CA 0.696 59.559 59.018 -0.257 0.000 1.742 56 C CB -0.979 26.506 27.740 -0.425 0.000 2.017 56 C HN 0.471 nan 8.230 nan 0.000 0.481 57 I N 0.651 121.158 120.570 -0.105 0.000 2.193 57 I HA -0.120 4.050 4.170 0.000 0.000 0.240 57 I C 2.427 178.476 176.117 -0.113 0.000 1.084 57 I CA 1.651 62.905 61.300 -0.075 0.000 1.365 57 I CB -1.483 36.485 38.000 -0.054 0.000 1.064 57 I HN 0.347 nan 8.210 nan 0.000 0.410 58 L N -0.715 120.416 121.223 -0.154 0.000 2.079 58 L HA -0.262 4.078 4.340 0.000 0.000 0.210 58 L C 2.623 179.228 176.870 -0.443 0.000 1.081 58 L CA 1.447 56.055 54.840 -0.387 0.000 0.752 58 L CB -0.625 41.243 42.059 -0.319 0.000 0.896 58 L HN 0.471 nan 8.230 nan 0.000 0.433 59 W N 0.563 121.673 121.300 -0.317 0.000 2.335 59 W HA -0.204 4.457 4.660 0.000 0.000 0.311 59 W C 2.165 178.607 176.519 -0.127 0.000 1.213 59 W CA 1.757 58.985 57.345 -0.195 0.000 1.274 59 W CB 0.006 29.382 29.460 -0.140 0.000 1.148 59 W HN -0.060 nan 8.180 nan 0.000 0.498 60 V N 0.418 120.268 119.914 -0.106 0.000 2.453 60 V HA -0.266 3.854 4.120 0.000 0.000 0.247 60 V C 2.144 178.147 176.094 -0.152 0.000 1.048 60 V CA 1.414 63.619 62.300 -0.157 0.000 1.049 60 V CB -0.835 30.938 31.823 -0.084 0.000 0.672 60 V HN 0.016 nan 8.190 nan 0.000 0.457 61 V N 0.220 120.037 119.914 -0.162 0.000 2.261 61 V HA -0.226 3.894 4.120 0.000 0.000 0.246 61 V C 1.912 178.009 176.094 0.005 0.000 1.047 61 V CA 2.871 65.126 62.300 -0.075 0.000 1.015 61 V CB -0.548 31.240 31.823 -0.057 0.000 0.642 61 V HN 0.881 nan 8.190 nan 0.000 0.446 62 Y N -2.553 117.702 120.300 -0.075 0.000 2.532 62 Y HA 0.527 5.077 4.550 0.000 0.000 0.282 62 Y C 1.847 177.636 175.900 -0.185 0.000 1.013 62 Y CA 0.234 58.280 58.100 -0.091 0.000 1.159 62 Y CB -0.633 37.791 38.460 -0.060 0.000 1.393 62 Y HN -0.031 nan 8.280 nan 0.000 0.580 63 G N 1.329 109.855 108.800 -0.457 0.000 2.459 63 G HA2 -0.373 3.587 3.960 0.000 0.000 0.217 63 G HA3 -0.373 3.587 3.960 0.000 0.000 0.217 63 G C 1.439 175.745 174.900 -0.990 0.000 1.183 63 G CA 1.661 46.461 45.100 -0.499 0.000 0.776 63 G HN 0.501 nan 8.290 nan 0.000 0.552 64 Y N 1.541 120.895 120.300 -1.577 0.000 2.165 64 Y HA -0.130 4.420 4.550 -0.000 0.000 0.286 64 Y C 3.151 178.901 175.900 -0.250 0.000 1.155 64 Y CA 1.763 59.185 58.100 -1.131 0.000 1.164 64 Y CB -0.568 37.411 38.460 -0.801 0.000 0.978 64 Y HN 0.242 nan 8.280 nan 0.000 0.513 65 S N -0.296 115.337 115.700 -0.112 0.000 2.368 65 S HA -0.163 4.307 4.470 0.000 0.000 0.225 65 S C 1.982 176.544 174.600 -0.063 0.000 1.030 65 S CA 1.669 59.905 58.200 0.060 0.000 0.999 65 S CB -0.543 62.750 63.200 0.154 0.000 0.844 65 S HN 0.523 nan 8.310 nan 0.000 0.459 66 L N 0.447 121.641 121.223 -0.049 0.000 2.313 66 L HA 0.118 4.458 4.340 0.000 0.000 0.214 66 L C 2.609 179.477 176.870 -0.002 0.000 1.119 66 L CA 0.851 55.687 54.840 -0.007 0.000 0.809 66 L CB -0.386 41.703 42.059 0.049 0.000 0.933 66 L HN 0.384 nan 8.230 nan 0.000 0.449 67 A N -1.377 121.434 122.820 -0.016 0.000 1.911 67 A HA -0.018 4.302 4.320 0.000 0.000 0.212 67 A C 2.302 180.015 177.584 0.215 0.000 1.189 67 A CA 1.216 53.338 52.037 0.142 0.000 0.639 67 A CB -0.094 19.056 19.000 0.249 0.000 0.839 67 A HN 0.264 nan 8.150 nan 0.000 0.449 68 S N -0.571 115.123 115.700 -0.009 0.000 2.512 68 S HA 0.287 4.757 4.470 0.000 0.000 0.216 68 S C 1.121 175.781 174.600 0.099 0.000 1.006 68 S CA 0.144 58.360 58.200 0.026 0.000 0.915 68 S CB 0.201 63.297 63.200 -0.173 0.000 0.824 68 S HN 0.695 nan 8.310 nan 0.000 0.497 69 G N 2.364 111.155 108.800 -0.016 0.000 2.594 69 G HA2 0.328 4.288 3.960 0.000 0.000 0.243 69 G HA3 0.328 4.288 3.960 0.000 0.000 0.243 69 G C -0.277 174.552 174.900 -0.118 0.000 1.229 69 G CA -0.501 44.421 45.100 -0.296 0.000 0.843 69 G HN 0.488 nan 8.290 nan 0.000 0.578 70 E N 0.519 120.592 120.200 -0.211 0.000 2.313 70 E HA 0.583 4.933 4.350 0.000 0.000 0.276 70 E C 0.567 177.086 176.600 -0.136 0.000 1.031 70 E CA -0.305 56.047 56.400 -0.081 0.000 0.857 70 E CB 1.293 30.931 29.700 -0.102 0.000 1.040 70 E HN 0.499 nan 8.360 nan 0.000 0.408 71 G N 3.551 112.287 108.800 -0.106 0.000 3.504 71 G HA2 0.082 4.042 3.960 0.000 0.000 0.162 71 G HA3 0.082 4.042 3.960 0.000 0.000 0.162 71 G C -0.492 174.259 174.900 -0.249 0.000 1.311 71 G CA 0.127 45.069 45.100 -0.263 0.000 1.322 71 G HN 0.741 nan 8.290 nan 0.000 0.738 72 N N -0.255 118.222 118.700 -0.372 0.000 3.294 72 N HA 0.212 4.952 4.740 0.000 0.000 0.355 72 N C -0.080 175.357 175.510 -0.122 0.000 1.497 72 N CA -0.761 52.144 53.050 -0.242 0.000 0.707 72 N CB 0.677 38.980 38.487 -0.307 0.000 1.732 72 N HN 0.116 nan 8.380 nan 0.000 0.640 73 N N -0.666 117.931 118.700 -0.172 0.000 2.459 73 N HA 0.061 4.801 4.740 0.000 0.000 0.181 73 N C 0.668 175.821 175.510 -0.595 0.000 1.046 73 N CA 0.966 53.765 53.050 -0.418 0.000 0.904 73 N CB -0.188 37.895 38.487 -0.674 0.000 0.964 73 N HN 0.401 nan 8.380 nan 0.000 0.444 74 F N -0.832 119.104 119.950 -0.023 0.000 2.653 74 F HA 0.247 4.774 4.527 0.000 0.000 0.288 74 F C 0.385 176.210 175.800 0.042 0.000 1.121 74 F CA -0.408 57.612 58.000 0.033 0.000 1.384 74 F CB 0.195 39.328 39.000 0.222 0.000 1.115 74 F HN -0.177 nan 8.300 nan 0.000 0.599 75 F N -1.888 117.914 119.950 -0.246 0.000 2.686 75 F HA 0.818 5.345 4.527 0.000 0.000 0.311 75 F C 0.334 175.506 175.800 -1.047 0.000 1.128 75 F CA -1.700 55.916 58.000 -0.640 0.000 0.946 75 F CB 0.415 39.279 39.000 -0.226 0.000 1.336 75 F HN -0.092 nan 8.300 nan 0.000 0.457 76 G N 0.589 108.946 108.800 -0.738 0.000 3.197 76 G HA2 0.368 4.328 3.960 0.000 0.000 0.167 76 G HA3 0.368 4.328 3.960 0.000 0.000 0.167 76 G C -0.639 174.145 174.900 -0.193 0.000 1.914 76 G CA 0.074 44.912 45.100 -0.437 0.000 0.956 76 G HN 1.075 nan 8.290 nan 0.000 0.480 77 N N -1.390 117.233 118.700 -0.128 0.000 3.204 77 N HA 0.302 5.042 4.740 0.000 0.000 0.285 77 N C -0.114 175.353 175.510 -0.071 0.000 1.536 77 N CA -0.494 52.501 53.050 -0.092 0.000 0.832 77 N CB 1.591 39.954 38.487 -0.206 0.000 1.645 77 N HN 0.520 nan 8.380 nan 0.000 0.586 78 I N -3.246 117.287 120.570 -0.062 0.000 3.762 78 I HA 0.327 4.497 4.170 0.000 0.000 0.333 78 I C -0.061 176.039 176.117 -0.029 0.000 1.566 78 I CA -0.620 60.665 61.300 -0.024 0.000 1.129 78 I CB -0.642 37.349 38.000 -0.015 0.000 1.218 78 I HN 0.352 nan 8.210 nan 0.000 0.456 79 N N 0.602 119.225 118.700 -0.129 0.000 2.494 79 N HA -0.002 4.738 4.740 0.000 0.000 0.182 79 N C 0.212 175.747 175.510 0.042 0.000 1.076 79 N CA 0.498 53.469 53.050 -0.132 0.000 0.908 79 N CB 0.124 38.416 38.487 -0.324 0.000 0.967 79 N HN 0.506 nan 8.380 nan 0.000 0.449 80 W N 1.873 123.194 121.300 0.034 0.000 2.764 80 W HA 0.393 5.053 4.660 -0.000 0.000 0.427 80 W C 0.014 176.558 176.519 0.042 0.000 0.896 80 W CA -0.848 56.532 57.345 0.059 0.000 2.307 80 W CB -0.722 28.804 29.460 0.110 0.000 1.192 80 W HN -0.059 nan 8.180 nan 0.000 0.731 84 K N 0.095 120.581 120.400 0.144 0.000 2.414 84 K HA 0.178 4.498 4.320 0.000 0.000 0.272 84 K C 0.398 177.147 176.600 0.248 0.000 0.993 84 K CA 0.108 56.493 56.287 0.162 0.000 0.964 84 K CB 0.460 33.047 32.500 0.145 0.000 0.925 84 K HN 0.177 nan 8.250 nan 0.000 0.487 85 N N -0.281 118.538 118.700 0.198 0.000 2.909 85 N HA -0.184 4.556 4.740 0.000 0.000 0.242 85 N C -0.827 174.812 175.510 0.214 0.000 0.975 85 N CA 1.297 54.487 53.050 0.233 0.000 0.921 85 N CB -1.230 37.453 38.487 0.327 0.000 1.112 85 N HN 0.653 nan 8.380 nan 0.000 0.581 86 I N 1.829 122.466 120.570 0.112 0.000 2.330 86 I HA 0.110 4.280 4.170 0.000 0.000 0.286 86 I C 0.530 176.704 176.117 0.094 0.000 1.025 86 I CA -0.477 60.837 61.300 0.023 0.000 1.197 86 I CB 0.938 38.853 38.000 -0.141 0.000 1.358 86 I HN -0.167 nan 8.210 nan 0.000 0.467 87 E N 5.572 125.807 120.200 0.059 0.000 2.415 87 E HA 0.064 4.414 4.350 0.000 0.000 0.262 87 E C 1.112 177.676 176.600 -0.060 0.000 1.038 87 E CA -0.020 56.385 56.400 0.008 0.000 0.921 87 E CB 1.369 31.078 29.700 0.015 0.000 0.950 87 E HN 0.589 nan 8.360 nan 0.000 0.438 88 L N 1.361 122.460 121.223 -0.208 0.000 2.127 88 L HA -0.194 4.146 4.340 0.000 0.000 0.211 88 L C 2.046 178.708 176.870 -0.348 0.000 1.089 88 L CA 1.797 56.363 54.840 -0.457 0.000 0.757 88 L CB -0.552 41.204 42.059 -0.505 0.000 0.899 88 L HN 0.558 nan 8.230 nan 0.000 0.434 89 T N -2.908 111.536 114.554 -0.184 0.000 3.169 89 T HA 0.326 4.676 4.350 0.000 0.000 0.250 89 T C 0.794 175.616 174.700 0.204 0.000 1.111 89 T CA 0.081 62.156 62.100 -0.042 0.000 1.010 89 T CB -0.189 68.680 68.868 0.002 0.000 0.984 89 T HN 0.207 nan 8.240 nan 0.000 0.537 90 A N 1.220 124.116 122.820 0.127 0.000 2.511 90 A HA 0.553 4.873 4.320 0.000 0.000 0.242 90 A C 0.361 178.051 177.584 0.176 0.000 1.069 90 A CA -0.362 51.751 52.037 0.126 0.000 0.763 90 A CB 0.167 19.211 19.000 0.073 0.000 1.001 90 A HN 0.340 nan 8.150 nan 0.000 0.498 94 S N 0.140 115.787 115.700 -0.089 0.000 2.749 94 S HA 0.568 5.038 4.470 0.000 0.000 0.246 94 S C 0.449 174.958 174.600 -0.152 0.000 1.023 94 S CA 0.166 58.302 58.200 -0.107 0.000 1.012 94 S CB -0.543 62.611 63.200 -0.077 0.000 0.942 94 S HN 1.239 nan 8.310 nan 0.000 0.531 95 I N -2.745 117.733 120.570 -0.152 0.000 3.042 95 I HA 0.699 4.869 4.170 0.000 0.000 0.310 95 I C -1.081 174.927 176.117 -0.181 0.000 1.117 95 I CA -1.782 59.412 61.300 -0.178 0.000 1.003 95 I CB 0.876 38.840 38.000 -0.060 0.000 1.228 95 I HN -0.141 nan 8.210 nan 0.000 0.443 96 Y N 1.825 122.131 120.300 0.010 0.000 2.511 96 Y HA 0.018 4.568 4.550 0.000 0.000 0.332 96 Y C 1.708 177.636 175.900 0.046 0.000 1.177 96 Y CA 0.418 58.527 58.100 0.016 0.000 1.422 96 Y CB 0.565 39.031 38.460 0.010 0.000 1.271 96 Y HN 0.684 nan 8.280 nan 0.000 0.550 97 Q N 1.952 121.875 119.800 0.205 0.000 2.197 97 Q HA -0.259 4.081 4.340 0.000 0.000 0.207 97 Q C 1.182 177.247 176.000 0.108 0.000 0.984 97 Q CA 1.755 57.623 55.803 0.108 0.000 0.869 97 Q CB -0.201 28.540 28.738 0.005 0.000 0.906 97 Q HN 0.851 nan 8.270 nan 0.000 0.426 98 Y N 0.330 120.609 120.300 -0.034 0.000 2.207 98 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 98 Y C 1.884 177.767 175.900 -0.028 0.000 1.156 98 Y CA 1.294 59.343 58.100 -0.084 0.000 1.182 98 Y CB -0.060 38.359 38.460 -0.068 0.000 0.979 98 Y HN 0.189 nan 8.280 nan 0.000 0.521 99 I N -1.443 119.244 120.570 0.195 0.000 2.353 99 I HA -0.315 3.855 4.170 0.000 0.000 0.248 99 I C 2.576 178.771 176.117 0.129 0.000 1.119 99 I CA 1.382 62.766 61.300 0.140 0.000 1.417 99 I CB -0.544 37.535 38.000 0.131 0.000 1.078 99 I HN 0.320 nan 8.210 nan 0.000 0.421 100 H N 1.074 120.161 119.070 0.028 0.000 2.353 100 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 100 H C 2.315 177.687 175.328 0.074 0.000 1.090 100 H CA 1.898 57.986 56.048 0.066 0.000 1.327 100 H CB 0.244 30.051 29.762 0.076 0.000 1.383 100 H HN 0.110 nan 8.280 nan 0.000 0.508 101 V N 1.353 121.169 119.914 -0.164 0.000 2.287 101 V HA -0.292 3.828 4.120 0.000 0.000 0.248 101 V C 3.059 179.161 176.094 0.014 0.000 1.053 101 V CA 1.760 63.825 62.300 -0.393 0.000 1.027 101 V CB -1.203 30.154 31.823 -0.776 0.000 0.646 101 V HN 0.591 nan 8.190 nan 0.000 0.447 102 A N -0.678 122.130 122.820 -0.019 0.000 1.877 102 A HA -0.232 4.088 4.320 0.000 0.000 0.216 102 A C 2.119 179.712 177.584 0.015 0.000 1.186 102 A CA 2.019 54.064 52.037 0.014 0.000 0.620 102 A CB -0.733 18.294 19.000 0.045 0.000 0.822 102 A HN 0.502 nan 8.150 nan 0.000 0.443 103 F N 0.840 120.727 119.950 -0.106 0.000 2.102 103 F HA -0.209 4.318 4.527 0.000 0.000 0.298 103 F C 2.553 178.233 175.800 -0.200 0.000 1.105 103 F CA 2.262 60.185 58.000 -0.128 0.000 1.239 103 F CB -0.451 38.442 39.000 -0.178 0.000 0.991 103 F HN 0.324 nan 8.300 nan 0.000 0.474 104 Q N -0.383 119.256 119.800 -0.269 0.000 2.167 104 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 104 Q C 2.498 178.043 176.000 -0.758 0.000 0.970 104 Q CA 1.172 56.717 55.803 -0.431 0.000 0.855 104 Q CB -0.764 27.988 28.738 0.024 0.000 0.911 104 Q HN 0.591 nan 8.270 nan 0.000 0.438 105 G N 1.152 109.423 108.800 -0.882 0.000 2.422 105 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 105 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 105 G C 1.615 176.083 174.900 -0.720 0.000 1.146 105 G CA 1.134 45.364 45.100 -1.450 0.000 0.769 105 G HN 0.478 nan 8.290 nan 0.000 0.547 106 S N 0.175 115.643 115.700 -0.387 0.000 2.419 106 S HA -0.032 4.438 4.470 0.000 0.000 0.233 106 S C 2.050 176.516 174.600 -0.223 0.000 1.016 106 S CA 0.950 59.022 58.200 -0.213 0.000 0.974 106 S CB -0.470 62.657 63.200 -0.122 0.000 0.786 106 S HN 0.161 nan 8.310 nan 0.000 0.492 107 F N 2.465 122.106 119.950 -0.516 0.000 2.163 107 F HA 0.265 4.792 4.527 -0.000 0.000 0.297 107 F C 2.848 178.440 175.800 -0.346 0.000 1.094 107 F CA 0.200 57.999 58.000 -0.336 0.000 1.290 107 F CB -1.095 37.718 39.000 -0.312 0.000 1.017 107 F HN 0.306 nan 8.300 nan 0.000 0.483 108 A N -0.950 121.569 122.820 -0.500 0.000 1.933 108 A HA -0.208 4.112 4.320 0.000 0.000 0.218 108 A C 2.354 179.639 177.584 -0.499 0.000 1.175 108 A CA 1.862 53.311 52.037 -0.980 0.000 0.628 108 A CB -1.492 16.904 19.000 -1.008 0.000 0.814 108 A HN 0.469 nan 8.150 nan 0.000 0.444 109 C N -1.295 117.812 119.300 -0.322 0.000 2.432 109 C HA -0.084 4.376 4.460 0.000 0.000 0.277 109 C C 2.469 177.439 174.990 -0.033 0.000 1.249 109 C CA 1.083 60.043 59.018 -0.098 0.000 1.725 109 C CB -1.252 26.528 27.740 0.067 0.000 2.028 109 C HN 0.696 nan 8.230 nan 0.000 0.477 110 I N 1.195 121.703 120.570 -0.104 0.000 2.394 110 I HA -0.137 4.033 4.170 0.000 0.000 0.251 110 I C 2.317 178.379 176.117 -0.092 0.000 1.136 110 I CA 1.812 63.032 61.300 -0.134 0.000 1.425 110 I CB -0.699 37.134 38.000 -0.277 0.000 1.079 110 I HN 0.285 nan 8.210 nan 0.000 0.425 111 T N -0.134 114.383 114.554 -0.060 0.000 2.708 111 T HA -0.148 4.202 4.350 0.000 0.000 0.266 111 T C 2.024 176.766 174.700 0.070 0.000 1.037 111 T CA 1.920 64.057 62.100 0.062 0.000 1.146 111 T CB -0.525 68.471 68.868 0.214 0.000 0.865 111 T HN 0.209 nan 8.240 nan 0.000 0.435 112 V N 1.362 121.303 119.914 0.045 0.000 2.427 112 V HA -0.069 4.051 4.120 0.000 0.000 0.248 112 V C 2.863 178.985 176.094 0.045 0.000 1.051 112 V CA 1.856 64.191 62.300 0.058 0.000 1.048 112 V CB -1.315 30.547 31.823 0.065 0.000 0.666 112 V HN 0.613 nan 8.190 nan 0.000 0.456 113 G N -0.224 108.604 108.800 0.045 0.000 2.442 113 G HA2 -0.218 3.743 3.960 0.000 0.000 0.219 113 G HA3 -0.218 3.743 3.960 0.000 0.000 0.219 113 G C 1.583 176.550 174.900 0.112 0.000 1.141 113 G CA 0.862 45.999 45.100 0.062 0.000 0.763 113 G HN 0.471 nan 8.290 nan 0.000 0.554 114 L N -0.070 121.210 121.223 0.095 0.000 2.083 114 L HA -0.048 4.292 4.340 0.000 0.000 0.209 114 L C 2.824 179.893 176.870 0.331 0.000 1.083 114 L CA 0.785 55.740 54.840 0.190 0.000 0.752 114 L CB -0.306 41.771 42.059 0.029 0.000 0.899 114 L HN 0.239 nan 8.230 nan 0.000 0.433 115 I N -1.320 119.360 120.570 0.184 0.000 2.193 115 I HA -0.205 3.965 4.170 0.000 0.000 0.240 115 I C 2.422 178.581 176.117 0.070 0.000 1.084 115 I CA 0.820 62.208 61.300 0.148 0.000 1.365 115 I CB -0.323 37.608 38.000 -0.115 0.000 1.064 115 I HN -0.047 nan 8.210 nan 0.000 0.410 116 V N 1.342 121.259 119.914 0.005 0.000 2.343 116 V HA -0.217 3.903 4.120 0.000 0.000 0.247 116 V C 2.636 178.631 176.094 -0.165 0.000 1.051 116 V CA 2.193 64.460 62.300 -0.055 0.000 1.036 116 V CB -1.546 30.265 31.823 -0.021 0.000 0.654 116 V HN 0.596 nan 8.190 nan 0.000 0.451 117 G N -0.412 108.258 108.800 -0.217 0.000 2.442 117 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 117 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 117 G C 1.708 175.924 174.900 -1.139 0.000 1.141 117 G CA 1.180 45.995 45.100 -0.474 0.000 0.763 117 G HN 0.627 nan 8.290 nan 0.000 0.554 118 A N 0.073 122.094 122.820 -1.331 0.000 1.898 118 A HA 0.315 4.635 4.320 0.000 0.000 0.214 118 A C 2.308 179.701 177.584 -0.318 0.000 1.183 118 A CA 0.896 52.376 52.037 -0.930 0.000 0.622 118 A CB -0.189 18.416 19.000 -0.658 0.000 0.824 118 A HN 0.327 nan 8.150 nan 0.000 0.444 119 L N -1.013 120.107 121.223 -0.172 0.000 2.477 119 L HA 0.103 4.443 4.340 0.000 0.000 0.220 119 L C 2.818 179.621 176.870 -0.112 0.000 1.106 119 L CA 0.486 55.264 54.840 -0.103 0.000 0.851 119 L CB -0.341 41.667 42.059 -0.086 0.000 0.994 119 L HN 0.388 nan 8.230 nan 0.000 0.462 120 A N 1.669 124.412 122.820 -0.128 0.000 1.915 120 A HA -0.299 4.021 4.320 0.000 0.000 0.220 120 A C 2.179 179.728 177.584 -0.058 0.000 1.198 120 A CA 2.362 54.344 52.037 -0.092 0.000 0.647 120 A CB -0.619 18.328 19.000 -0.089 0.000 0.825 120 A HN 0.668 nan 8.150 nan 0.000 0.456 121 E N 0.097 120.260 120.200 -0.061 0.000 2.333 121 E HA -0.231 4.119 4.350 0.000 0.000 0.198 121 E C 1.658 178.236 176.600 -0.036 0.000 1.007 121 E CA 1.284 57.662 56.400 -0.036 0.000 0.845 121 E CB -0.263 29.416 29.700 -0.035 0.000 0.766 121 E HN 0.838 nan 8.360 nan 0.000 0.507 122 R N 0.427 120.895 120.500 -0.053 0.000 2.476 122 R HA 0.387 4.727 4.340 0.000 0.000 0.276 122 R C 0.437 176.701 176.300 -0.060 0.000 0.941 122 R CA -0.333 55.732 56.100 -0.058 0.000 1.088 122 R CB 0.176 30.432 30.300 -0.073 0.000 1.216 122 R HN 0.185 nan 8.270 nan 0.000 0.533 123 I N 1.517 122.056 120.570 -0.051 0.000 2.509 123 I HA 0.385 4.555 4.170 0.000 0.000 0.293 123 I C -0.434 175.684 176.117 0.002 0.000 1.020 123 I CA -1.426 59.852 61.300 -0.038 0.000 1.088 123 I CB 1.895 39.861 38.000 -0.055 0.000 1.267 123 I HN 0.116 nan 8.210 nan 0.000 0.430 124 R N 4.711 125.226 120.500 0.025 0.000 2.623 124 R HA 0.008 4.348 4.340 0.000 0.000 0.271 124 R C 0.490 176.857 176.300 0.112 0.000 1.043 124 R CA 0.154 56.299 56.100 0.074 0.000 1.083 124 R CB 0.424 30.766 30.300 0.069 0.000 0.974 124 R HN 0.635 nan 8.270 nan 0.000 0.436 125 F N 5.843 125.805 119.950 0.020 0.000 2.069 125 F HA -0.125 4.402 4.527 0.000 0.000 0.298 125 F C -0.665 175.160 175.800 0.043 0.000 1.113 125 F CA 1.552 59.570 58.000 0.031 0.000 1.214 125 F CB -0.626 38.389 39.000 0.025 0.000 0.978 125 F HN 0.518 nan 8.300 nan 0.000 0.474 126 P HA -0.191 nan 4.420 nan 0.000 0.218 126 P C 1.302 178.678 177.300 0.125 0.000 1.148 126 P CA 2.176 65.418 63.100 0.236 0.000 0.822 126 P CB -0.288 31.509 31.700 0.162 0.000 0.784 127 A N 0.146 123.026 122.820 0.101 0.000 1.930 127 A HA -0.084 4.236 4.320 0.000 0.000 0.217 127 A C 2.485 180.126 177.584 0.094 0.000 1.175 127 A CA 1.371 53.461 52.037 0.088 0.000 0.627 127 A CB -1.632 17.413 19.000 0.074 0.000 0.815 127 A HN 0.122 nan 8.150 nan 0.000 0.443 128 V N 0.089 120.019 119.914 0.027 0.000 2.515 128 V HA -0.173 3.947 4.120 0.000 0.000 0.250 128 V C 2.355 178.473 176.094 0.041 0.000 1.058 128 V CA 1.854 64.166 62.300 0.021 0.000 1.064 128 V CB -0.421 31.325 31.823 -0.128 0.000 0.675 128 V HN 0.589 nan 8.190 nan 0.000 0.461 129 L N -0.698 120.512 121.223 -0.021 0.000 2.027 129 L HA -0.165 4.175 4.340 0.000 0.000 0.206 129 L C 2.372 179.278 176.870 0.059 0.000 1.074 129 L CA 1.911 56.758 54.840 0.012 0.000 0.745 129 L CB -0.521 41.569 42.059 0.052 0.000 0.898 129 L HN 0.266 nan 8.230 nan 0.000 0.433 130 I N -0.861 119.757 120.570 0.079 0.000 2.226 130 I HA -0.328 3.842 4.170 0.000 0.000 0.245 130 I C 2.524 178.681 176.117 0.067 0.000 1.100 130 I CA 1.394 62.737 61.300 0.072 0.000 1.374 130 I CB -0.308 37.739 38.000 0.078 0.000 1.057 130 I HN 0.148 nan 8.210 nan 0.000 0.413 131 F N 1.429 121.360 119.950 -0.031 0.000 2.095 131 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 131 F C 2.363 178.160 175.800 -0.005 0.000 1.104 131 F CA 1.668 59.616 58.000 -0.087 0.000 1.232 131 F CB -0.523 38.370 39.000 -0.179 0.000 0.987 131 F HN -0.231 nan 8.300 nan 0.000 0.475 132 V N -0.175 119.713 119.914 -0.044 0.000 2.332 132 V HA -0.320 3.800 4.120 0.000 0.000 0.248 132 V C 2.443 178.509 176.094 -0.046 0.000 1.055 132 V CA 1.723 63.990 62.300 -0.055 0.000 1.038 132 V CB -0.891 30.964 31.823 0.054 0.000 0.651 132 V HN 0.309 nan 8.190 nan 0.000 0.450 133 V N -0.323 119.583 119.914 -0.014 0.000 2.287 133 V HA -0.247 3.873 4.120 0.000 0.000 0.248 133 V C 2.397 178.488 176.094 -0.006 0.000 1.053 133 V CA 2.130 64.448 62.300 0.029 0.000 1.027 133 V CB -0.516 31.334 31.823 0.046 0.000 0.646 133 V HN 0.406 nan 8.190 nan 0.000 0.447 134 V N -1.482 118.384 119.914 -0.081 0.000 2.261 134 V HA -0.281 3.839 4.120 0.000 0.000 0.246 134 V C 1.989 178.005 176.094 -0.130 0.000 1.047 134 V CA 2.454 64.691 62.300 -0.105 0.000 1.015 134 V CB -0.727 31.024 31.823 -0.120 0.000 0.642 134 V HN 0.765 nan 8.190 nan 0.000 0.446 135 W N 0.186 121.186 121.300 -0.499 0.000 2.388 135 W HA -0.130 4.530 4.660 -0.000 0.000 0.294 135 W C 2.181 178.624 176.519 -0.126 0.000 1.212 135 W CA 1.649 58.732 57.345 -0.437 0.000 1.271 135 W CB -0.201 28.689 29.460 -0.951 0.000 1.126 135 W HN 0.209 nan 8.180 nan 0.000 0.535 136 L N 0.292 121.538 121.223 0.038 0.000 2.017 136 L HA -0.163 4.177 4.340 0.000 0.000 0.208 136 L C 2.297 179.199 176.870 0.053 0.000 1.073 136 L CA 2.768 57.645 54.840 0.062 0.000 0.745 136 L CB -1.249 40.888 42.059 0.129 0.000 0.894 136 L HN -0.122 nan 8.230 nan 0.000 0.432 137 T N -0.192 114.408 114.554 0.077 0.000 2.777 137 T HA -0.100 4.250 4.350 0.000 0.000 0.266 137 T C 1.781 176.489 174.700 0.014 0.000 1.040 137 T CA 1.901 64.073 62.100 0.119 0.000 1.141 137 T CB -0.208 68.716 68.868 0.093 0.000 0.868 137 T HN 0.298 nan 8.240 nan 0.000 0.444 138 L N -0.182 121.010 121.223 -0.051 0.000 2.513 138 L HA 0.284 4.624 4.340 0.000 0.000 0.222 138 L C 2.403 179.341 176.870 0.114 0.000 1.096 138 L CA 0.329 55.169 54.840 0.001 0.000 0.857 138 L CB 0.011 42.041 42.059 -0.047 0.000 1.026 138 L HN 0.211 nan 8.230 nan 0.000 0.469 139 S N -1.245 114.332 115.700 -0.205 0.000 2.979 139 S HA -0.025 4.445 4.470 0.000 0.000 0.243 139 S C 1.791 176.075 174.600 -0.528 0.000 1.036 139 S CA -0.087 57.931 58.200 -0.302 0.000 0.846 139 S CB -0.173 62.489 63.200 -0.896 0.000 0.806 139 S HN 0.319 nan 8.310 nan 0.000 0.568 140 Y N 2.453 122.238 120.300 -0.859 0.000 2.114 140 Y HA -0.025 4.525 4.550 0.000 0.000 0.284 140 Y C 1.990 177.780 175.900 -0.184 0.000 1.143 140 Y CA 2.077 59.865 58.100 -0.519 0.000 1.135 140 Y CB -0.391 37.838 38.460 -0.385 0.000 0.980 140 Y HN 0.287 nan 8.280 nan 0.000 0.499 141 I N 0.099 120.697 120.570 0.047 0.000 2.127 141 I HA -0.276 3.894 4.170 0.000 0.000 0.241 141 I C -0.692 175.400 176.117 -0.042 0.000 1.075 141 I CA 1.524 62.895 61.300 0.117 0.000 1.334 141 I CB -1.548 36.568 38.000 0.194 0.000 1.040 141 I HN 0.229 nan 8.210 nan 0.000 0.405 142 P HA -0.139 nan 4.420 nan 0.000 0.215 142 P C 1.876 178.938 177.300 -0.396 0.000 1.157 142 P CA 1.564 64.573 63.100 -0.150 0.000 0.863 142 P CB 0.012 31.660 31.700 -0.087 0.000 0.787 143 I N -0.813 119.405 120.570 -0.587 0.000 2.286 143 I HA -0.233 3.937 4.170 0.000 0.000 0.248 143 I C 2.280 178.055 176.117 -0.570 0.000 1.115 143 I CA 1.368 62.290 61.300 -0.631 0.000 1.392 143 I CB -0.766 36.877 38.000 -0.595 0.000 1.065 143 I HN -0.088 nan 8.210 nan 0.000 0.418 144 A N -0.264 122.211 122.820 -0.575 0.000 1.933 144 A HA -0.189 4.131 4.320 0.000 0.000 0.218 144 A C 1.644 179.097 177.584 -0.218 0.000 1.175 144 A CA 1.063 52.814 52.037 -0.478 0.000 0.628 144 A CB -0.797 18.010 19.000 -0.322 0.000 0.814 144 A HN 0.445 nan 8.150 nan 0.000 0.444 148 W N 1.313 122.511 121.300 -0.169 0.000 3.008 148 W HA 0.624 5.284 4.660 -0.000 0.000 0.355 148 W C 1.616 178.047 176.519 -0.147 0.000 1.095 148 W CA 0.527 57.792 57.345 -0.134 0.000 1.738 148 W CB 0.141 29.526 29.460 -0.124 0.000 1.091 148 W HN 0.401 nan 8.180 nan 0.000 0.574 149 G N -0.271 108.462 108.800 -0.110 0.000 3.605 149 G HA2 0.364 4.324 3.960 0.000 0.000 0.277 149 G HA3 0.364 4.324 3.960 0.000 0.000 0.277 149 G C 1.200 175.781 174.900 -0.532 0.000 1.093 149 G CA 0.166 45.076 45.100 -0.317 0.000 0.821 149 G HN 0.244 nan 8.290 nan 0.000 0.532 150 G N -0.709 107.906 108.800 -0.307 0.000 2.160 150 G HA2 -0.045 3.915 3.960 0.000 0.000 0.251 150 G HA3 -0.045 3.915 3.960 0.000 0.000 0.251 150 G C 0.864 175.575 174.900 -0.316 0.000 1.008 150 G CA 0.369 45.325 45.100 -0.240 0.000 0.724 150 G HN 0.977 nan 8.290 nan 0.000 0.514 151 G N -1.060 107.468 108.800 -0.452 0.000 2.489 151 G HA2 0.525 4.485 3.960 0.000 0.000 0.271 151 G HA3 0.525 4.485 3.960 0.000 0.000 0.271 151 G C 1.345 176.047 174.900 -0.330 0.000 1.427 151 G CA 0.163 45.039 45.100 -0.373 0.000 1.057 151 G HN 0.890 nan 8.290 nan 0.000 0.532 152 L N -0.483 120.464 121.223 -0.459 0.000 1.978 152 L HA -0.129 4.211 4.340 0.000 0.000 0.218 152 L C 2.826 179.401 176.870 -0.491 0.000 1.075 152 L CA 1.810 56.333 54.840 -0.528 0.000 0.767 152 L CB -0.595 41.029 42.059 -0.725 0.000 0.890 152 L HN 0.491 nan 8.230 nan 0.000 0.434 153 L N -1.007 119.969 121.223 -0.411 0.000 2.046 153 L HA -0.176 4.164 4.340 0.000 0.000 0.208 153 L C 2.654 179.438 176.870 -0.143 0.000 1.077 153 L CA 1.160 55.828 54.840 -0.287 0.000 0.747 153 L CB -1.000 40.905 42.059 -0.257 0.000 0.896 153 L HN 0.411 nan 8.230 nan 0.000 0.432 154 A N 0.291 123.022 122.820 -0.147 0.000 1.930 154 A HA -0.203 4.117 4.320 0.000 0.000 0.217 154 A C 2.541 180.121 177.584 -0.007 0.000 1.175 154 A CA 1.856 53.858 52.037 -0.058 0.000 0.627 154 A CB -0.630 18.326 19.000 -0.074 0.000 0.815 154 A HN 0.523 nan 8.150 nan 0.000 0.443 155 S N -0.749 114.942 115.700 -0.015 0.000 2.402 155 S HA -0.192 4.278 4.470 0.000 0.000 0.229 155 S C 1.604 176.323 174.600 0.198 0.000 1.021 155 S CA 1.490 59.734 58.200 0.073 0.000 0.974 155 S CB -0.682 62.562 63.200 0.073 0.000 0.800 155 S HN 0.641 nan 8.310 nan 0.000 0.484 156 H N 1.369 120.414 119.070 -0.041 0.000 2.547 156 H HA 0.394 4.950 4.556 0.000 0.000 0.266 156 H C 1.694 177.034 175.328 0.020 0.000 0.988 156 H CA -0.320 55.724 56.048 -0.007 0.000 1.147 156 H CB -0.317 29.428 29.762 -0.029 0.000 1.365 156 H HN 0.605 nan 8.280 nan 0.000 0.589 157 G N -0.060 108.814 108.800 0.123 0.000 2.137 157 G HA2 -0.220 3.740 3.960 0.000 0.000 0.237 157 G HA3 -0.220 3.740 3.960 0.000 0.000 0.237 157 G C 0.445 175.382 174.900 0.062 0.000 1.002 157 G CA 0.134 45.286 45.100 0.087 0.000 0.702 157 G HN 0.706 nan 8.290 nan 0.000 0.515 158 A N -0.057 122.792 122.820 0.048 0.000 2.520 158 A HA 0.581 4.901 4.320 0.000 0.000 0.245 158 A C 0.687 178.303 177.584 0.052 0.000 1.072 158 A CA 0.295 52.349 52.037 0.030 0.000 0.761 158 A CB 0.263 19.259 19.000 -0.007 0.000 1.004 158 A HN 0.931 nan 8.150 nan 0.000 0.499 159 L N 2.868 124.125 121.223 0.056 0.000 2.264 159 L HA 0.418 4.758 4.340 0.000 0.000 0.289 159 L C -0.353 176.677 176.870 0.266 0.000 1.044 159 L CA -0.200 54.676 54.840 0.060 0.000 0.807 159 L CB 1.069 43.057 42.059 -0.118 0.000 1.192 159 L HN 0.739 nan 8.230 nan 0.000 0.425 160 D N 2.413 123.091 120.400 0.465 0.000 2.445 160 D HA 0.054 4.694 4.640 0.000 0.000 0.236 160 D C 0.223 176.940 176.300 0.696 0.000 1.315 160 D CA -0.439 53.865 54.000 0.507 0.000 0.924 160 D CB 0.603 41.568 40.800 0.276 0.000 1.447 160 D HN 0.272 nan 8.370 nan 0.000 0.532 161 F N 2.902 123.195 119.950 0.572 0.000 2.069 161 F HA -0.017 4.510 4.527 0.000 0.000 0.298 161 F C 1.818 177.811 175.800 0.322 0.000 1.113 161 F CA 2.217 60.395 58.000 0.296 0.000 1.214 161 F CB 0.409 39.377 39.000 -0.053 0.000 0.978 161 F HN 0.431 nan 8.300 nan 0.000 0.474 162 A N -1.595 121.580 122.820 0.592 0.000 2.545 162 A HA 0.558 4.878 4.320 0.000 0.000 0.263 162 A C 0.950 179.028 177.584 0.822 0.000 1.202 162 A CA 0.434 52.771 52.037 0.500 0.000 0.959 162 A CB -0.267 19.075 19.000 0.571 0.000 1.124 162 A HN 0.883 nan 8.150 nan 0.000 0.543 163 G N -1.207 108.136 108.800 0.906 0.000 2.247 163 G HA2 0.030 3.990 3.960 0.000 0.000 0.111 163 G HA3 0.030 3.990 3.960 0.000 0.000 0.111 163 G C 0.985 176.174 174.900 0.483 0.000 1.045 163 G CA 0.211 45.703 45.100 0.653 0.000 0.715 163 G HN 1.081 nan 8.290 nan 0.000 0.485 164 G N 0.126 109.227 108.800 0.502 0.000 2.432 164 G HA2 0.063 4.023 3.960 0.000 0.000 0.219 164 G HA3 0.063 4.023 3.960 0.000 0.000 0.219 164 G C 1.780 176.878 174.900 0.330 0.000 1.135 164 G CA 2.589 47.985 45.100 0.493 0.000 0.767 164 G HN 1.378 nan 8.290 nan 0.000 0.550 165 T N -1.469 113.189 114.554 0.173 0.000 2.904 165 T HA 0.028 4.378 4.350 0.000 0.000 0.243 165 T C 2.308 177.003 174.700 -0.010 0.000 1.024 165 T CA 1.035 63.175 62.100 0.067 0.000 1.158 165 T CB -0.553 68.291 68.868 -0.040 0.000 0.867 165 T HN -0.034 nan 8.240 nan 0.000 0.429 166 V N 1.774 121.563 119.914 -0.208 0.000 2.324 166 V HA -0.131 3.989 4.120 0.000 0.000 0.250 166 V C 2.727 178.829 176.094 0.014 0.000 1.060 166 V CA 1.678 63.777 62.300 -0.335 0.000 1.042 166 V CB -0.817 30.491 31.823 -0.858 0.000 0.650 166 V HN 0.418 nan 8.190 nan 0.000 0.450 167 V N -1.432 118.559 119.914 0.129 0.000 2.502 167 V HA -0.006 4.114 4.120 0.000 0.000 0.234 167 V C 2.318 178.474 176.094 0.104 0.000 1.072 167 V CA 1.089 63.483 62.300 0.156 0.000 1.094 167 V CB -0.722 31.116 31.823 0.025 0.000 0.761 167 V HN 0.469 nan 8.190 nan 0.000 0.489 168 H N 0.221 119.525 119.070 0.390 0.000 2.276 168 H HA 0.008 4.564 4.556 0.000 0.000 0.301 168 H C 2.339 177.877 175.328 0.349 0.000 1.073 168 H CA 2.030 58.324 56.048 0.410 0.000 1.311 168 H CB -0.331 29.699 29.762 0.446 0.000 1.379 168 H HN 0.297 nan 8.280 nan 0.000 0.494 169 I N 0.999 121.809 120.570 0.399 0.000 2.226 169 I HA -0.254 3.916 4.170 0.000 0.000 0.245 169 I C 2.527 178.817 176.117 0.289 0.000 1.100 169 I CA 0.999 62.484 61.300 0.309 0.000 1.374 169 I CB -0.283 37.862 38.000 0.241 0.000 1.057 169 I HN 0.160 nan 8.210 nan 0.000 0.413 170 N N 1.444 120.323 118.700 0.300 0.000 2.036 170 N HA -0.202 4.538 4.740 0.000 0.000 0.195 170 N C 1.820 177.631 175.510 0.502 0.000 1.037 170 N CA 2.215 55.514 53.050 0.415 0.000 0.855 170 N CB -0.217 38.500 38.487 0.384 0.000 1.033 170 N HN 0.360 nan 8.380 nan 0.000 0.423 171 A N 0.233 123.274 122.820 0.368 0.000 1.898 171 A HA 0.139 4.459 4.320 0.000 0.000 0.216 171 A C 2.378 179.917 177.584 -0.075 0.000 1.181 171 A CA 1.907 53.995 52.037 0.085 0.000 0.620 171 A CB -1.088 17.987 19.000 0.125 0.000 0.819 171 A HN 0.430 nan 8.150 nan 0.000 0.442 172 A N 0.261 123.158 122.820 0.128 0.000 1.883 172 A HA -0.122 4.198 4.320 0.000 0.000 0.217 172 A C 2.009 179.548 177.584 -0.075 0.000 1.186 172 A CA 1.785 53.890 52.037 0.114 0.000 0.624 172 A CB -0.534 18.668 19.000 0.336 0.000 0.822 172 A HN 0.406 nan 8.150 nan 0.000 0.444 173 I N -0.114 120.493 120.570 0.062 0.000 2.252 173 I HA -0.215 3.955 4.170 0.000 0.000 0.245 173 I C 2.947 179.072 176.117 0.014 0.000 1.102 173 I CA 1.403 62.749 61.300 0.077 0.000 1.385 173 I CB -1.681 36.427 38.000 0.180 0.000 1.064 173 I HN 0.370 nan 8.210 nan 0.000 0.414 174 A N 0.996 123.804 122.820 -0.021 0.000 1.902 174 A HA -0.104 4.216 4.320 0.000 0.000 0.217 174 A C 2.508 179.944 177.584 -0.247 0.000 1.181 174 A CA 1.913 53.894 52.037 -0.092 0.000 0.623 174 A CB -1.304 17.357 19.000 -0.566 0.000 0.818 174 A HN 0.429 nan 8.150 nan 0.000 0.443 175 G N -0.359 108.005 108.800 -0.727 0.000 2.402 175 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 175 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 175 G C 1.542 176.071 174.900 -0.619 0.000 1.162 175 G CA 0.947 45.283 45.100 -1.273 0.000 0.777 175 G HN 0.426 nan 8.290 nan 0.000 0.539 176 L N 0.283 121.274 121.223 -0.386 0.000 2.141 176 L HA -0.048 4.292 4.340 0.000 0.000 0.209 176 L C 2.933 179.812 176.870 0.015 0.000 1.094 176 L CA 0.259 55.082 54.840 -0.028 0.000 0.763 176 L CB -0.324 41.765 42.059 0.050 0.000 0.908 176 L HN 0.079 nan 8.230 nan 0.000 0.437 177 V N 0.092 120.019 119.914 0.021 0.000 2.427 177 V HA -0.180 3.940 4.120 0.000 0.000 0.248 177 V C 2.592 178.637 176.094 -0.082 0.000 1.051 177 V CA 1.926 64.298 62.300 0.120 0.000 1.048 177 V CB -1.063 30.935 31.823 0.291 0.000 0.666 177 V HN 0.560 nan 8.190 nan 0.000 0.456 178 G N -0.338 108.257 108.800 -0.342 0.000 2.418 178 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 178 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 178 G C 1.753 176.400 174.900 -0.421 0.000 1.158 178 G CA 0.957 45.509 45.100 -0.914 0.000 0.771 178 G HN 0.596 nan 8.290 nan 0.000 0.545 179 A N -0.275 122.456 122.820 -0.148 0.000 1.972 179 A HA -0.004 4.316 4.320 0.000 0.000 0.219 179 A C 2.184 179.764 177.584 -0.007 0.000 1.169 179 A CA 1.648 53.667 52.037 -0.030 0.000 0.635 179 A CB -0.552 18.507 19.000 0.099 0.000 0.810 179 A HN 0.479 nan 8.150 nan 0.000 0.446 180 Y N 0.269 120.510 120.300 -0.099 0.000 2.220 180 Y HA -0.041 4.509 4.550 0.000 0.000 0.291 180 Y C 1.868 177.721 175.900 -0.078 0.000 1.129 180 Y CA 1.693 59.759 58.100 -0.056 0.000 1.161 180 Y CB -0.170 38.282 38.460 -0.013 0.000 0.997 180 Y HN 0.197 nan 8.280 nan 0.000 0.522 181 L N -0.126 120.991 121.223 -0.177 0.000 2.162 181 L HA 0.023 4.363 4.340 0.000 0.000 0.205 181 L C 0.257 176.966 176.870 -0.268 0.000 1.086 181 L CA 0.457 55.141 54.840 -0.259 0.000 0.778 181 L CB -0.101 41.830 42.059 -0.214 0.000 0.928 181 L HN 0.020 nan 8.230 nan 0.000 0.446 182 I N 0.478 120.879 120.570 -0.282 0.000 2.307 182 I HA 0.251 4.421 4.170 0.000 0.000 0.289 182 I C 0.707 176.727 176.117 -0.161 0.000 1.021 182 I CA -0.430 60.738 61.300 -0.220 0.000 1.224 182 I CB 1.117 38.968 38.000 -0.249 0.000 1.376 182 I HN -0.090 nan 8.210 nan 0.000 0.470 183 G N 5.189 113.908 108.800 -0.135 0.000 2.572 183 G HA2 0.411 4.371 3.960 0.000 0.000 0.261 183 G HA3 0.411 4.371 3.960 0.000 0.000 0.261 183 G C -0.726 174.123 174.900 -0.085 0.000 1.197 183 G CA -0.439 44.598 45.100 -0.105 0.000 0.870 183 G HN 0.644 nan 8.290 nan 0.000 0.548 184 K N 0.226 120.584 120.400 -0.071 0.000 2.565 184 K HA 0.329 4.649 4.320 0.000 0.000 0.249 184 K C -0.347 176.215 176.600 -0.064 0.000 0.958 184 K CA -0.833 55.416 56.287 -0.064 0.000 0.806 184 K CB 1.631 34.099 32.500 -0.054 0.000 1.194 184 K HN 0.595 nan 8.250 nan 0.000 0.434 185 R N 3.647 124.103 120.500 -0.074 0.000 2.316 185 R HA 0.179 4.519 4.340 0.000 0.000 0.314 185 R C -1.049 175.190 176.300 -0.102 0.000 1.069 185 R CA -0.384 55.661 56.100 -0.091 0.000 0.959 185 R CB 0.748 30.983 30.300 -0.109 0.000 0.987 185 R HN 0.285 nan 8.270 nan 0.000 0.446 186 V N 5.516 125.372 119.914 -0.096 0.000 2.389 186 V HA 0.245 4.365 4.120 0.000 0.000 0.264 186 V C 1.183 177.188 176.094 -0.148 0.000 1.049 186 V CA -0.184 62.062 62.300 -0.090 0.000 0.932 186 V CB 0.866 32.657 31.823 -0.053 0.000 1.011 186 V HN 0.984 nan 8.190 nan 0.000 0.475 187 G N 4.109 112.811 108.800 -0.163 0.000 2.559 187 G HA2 0.241 4.201 3.960 0.000 0.000 0.235 187 G HA3 0.241 4.201 3.960 0.000 0.000 0.235 187 G C -0.367 174.455 174.900 -0.129 0.000 1.266 187 G CA -0.348 44.602 45.100 -0.250 0.000 0.847 187 G HN 0.444 nan 8.290 nan 0.000 0.583 188 F N 0.727 120.664 119.950 -0.021 0.000 2.543 188 F HA 0.398 4.925 4.527 0.000 0.000 0.375 188 F C 1.548 177.335 175.800 -0.022 0.000 1.075 188 F CA 0.360 58.347 58.000 -0.022 0.000 1.225 188 F CB 0.729 39.718 39.000 -0.019 0.000 1.099 188 F HN 0.852 nan 8.300 nan 0.000 0.561 189 G N 2.283 111.186 108.800 0.171 0.000 2.176 189 G HA2 -0.272 3.688 3.960 0.000 0.000 0.253 189 G HA3 -0.272 3.688 3.960 0.000 0.000 0.253 189 G C 0.736 175.661 174.900 0.042 0.000 0.979 189 G CA -0.214 44.934 45.100 0.080 0.000 0.641 189 G HN 0.472 nan 8.290 nan 0.000 0.530 190 K N 0.251 120.670 120.400 0.032 0.000 2.699 190 K HA 0.337 4.657 4.320 0.000 0.000 0.210 190 K C 1.004 177.584 176.600 -0.033 0.000 1.076 190 K CA 0.039 56.326 56.287 -0.001 0.000 1.109 190 K CB 0.862 33.356 32.500 -0.010 0.000 0.862 190 K HN 0.375 nan 8.250 nan 0.000 0.470 191 E N 0.771 120.953 120.200 -0.031 0.000 2.427 191 E HA 0.016 4.366 4.350 0.000 0.000 0.196 191 E C 0.309 176.822 176.600 -0.145 0.000 1.028 191 E CA 0.232 56.591 56.400 -0.069 0.000 0.864 191 E CB 0.339 30.018 29.700 -0.034 0.000 0.813 191 E HN 0.295 nan 8.360 nan 0.000 0.514 192 A N -0.006 122.734 122.820 -0.133 0.000 2.454 192 A HA 0.585 4.905 4.320 0.000 0.000 0.302 192 A C -0.941 176.565 177.584 -0.129 0.000 1.079 192 A CA -0.810 51.111 52.037 -0.194 0.000 0.731 192 A CB 0.613 19.560 19.000 -0.088 0.000 1.299 192 A HN 0.094 nan 8.150 nan 0.000 0.413 193 F N 1.370 121.310 119.950 -0.018 0.000 2.607 193 F HA 0.093 4.620 4.527 0.000 0.000 0.374 193 F C 1.281 177.068 175.800 -0.022 0.000 1.104 193 F CA 0.573 58.555 58.000 -0.030 0.000 1.296 193 F CB 0.697 39.665 39.000 -0.053 0.000 1.085 193 F HN 0.565 nan 8.300 nan 0.000 0.584 194 K N 6.088 126.601 120.400 0.189 0.000 2.378 194 K HA 0.103 4.423 4.320 0.000 0.000 0.288 194 K C -1.938 174.721 176.600 0.098 0.000 1.057 194 K CA -1.394 54.961 56.287 0.113 0.000 0.971 194 K CB 0.929 33.486 32.500 0.095 0.000 0.975 194 K HN 0.197 nan 8.250 nan 0.000 0.475 195 P HA -0.223 nan 4.420 nan 0.000 0.216 195 P C 0.746 178.066 177.300 0.034 0.000 1.150 195 P CA 1.104 64.230 63.100 0.043 0.000 0.843 195 P CB 0.033 31.755 31.700 0.036 0.000 0.787 196 H N -0.135 118.927 119.070 -0.013 0.000 2.457 196 H HA -0.048 4.508 4.556 0.000 0.000 0.297 196 H C 1.041 176.353 175.328 -0.026 0.000 1.092 196 H CA 1.456 57.493 56.048 -0.019 0.000 1.309 196 H CB -0.304 29.451 29.762 -0.011 0.000 1.382 196 H HN 0.229 nan 8.280 nan 0.000 0.535 197 N N -0.048 118.668 118.700 0.025 0.000 2.353 197 N HA 0.045 4.785 4.740 0.000 0.000 0.185 197 N C 1.781 177.230 175.510 -0.102 0.000 1.098 197 N CA -0.212 52.819 53.050 -0.031 0.000 0.872 197 N CB 0.427 38.924 38.487 0.016 0.000 0.970 197 N HN 0.236 nan 8.380 nan 0.000 0.467 198 L N 0.797 121.955 121.223 -0.108 0.000 2.191 198 L HA -0.008 4.332 4.340 0.000 0.000 0.212 198 L C -1.419 175.388 176.870 -0.106 0.000 1.103 198 L CA 0.592 55.350 54.840 -0.137 0.000 0.769 198 L CB -1.449 40.540 42.059 -0.117 0.000 0.908 198 L HN 0.026 nan 8.230 nan 0.000 0.438 202 F N 2.992 122.838 119.950 -0.173 0.000 2.095 202 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 202 F C 2.512 178.268 175.800 -0.073 0.000 1.104 202 F CA 3.013 60.941 58.000 -0.120 0.000 1.232 202 F CB -0.440 38.487 39.000 -0.122 0.000 0.987 202 F HN 0.334 nan 8.300 nan 0.000 0.475 203 T N -1.936 112.524 114.554 -0.157 0.000 2.720 203 T HA -0.096 4.254 4.350 0.000 0.000 0.268 203 T C 2.314 176.865 174.700 -0.249 0.000 1.037 203 T CA 1.285 63.248 62.100 -0.229 0.000 1.144 203 T CB -1.679 67.168 68.868 -0.034 0.000 0.864 203 T HN 0.348 nan 8.240 nan 0.000 0.444 204 G N 1.063 109.777 108.800 -0.143 0.000 2.418 204 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 204 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 204 G C 1.739 176.579 174.900 -0.101 0.000 1.158 204 G CA 1.306 46.354 45.100 -0.086 0.000 0.771 204 G HN 0.535 nan 8.290 nan 0.000 0.545 205 T N 1.700 116.226 114.554 -0.046 0.000 2.746 205 T HA -0.015 4.335 4.350 0.000 0.000 0.267 205 T C 2.818 177.381 174.700 -0.228 0.000 1.039 205 T CA 1.545 63.575 62.100 -0.117 0.000 1.142 205 T CB -0.374 68.431 68.868 -0.105 0.000 0.866 205 T HN 0.373 nan 8.240 nan 0.000 0.444 206 A N 1.169 123.749 122.820 -0.400 0.000 1.877 206 A HA -0.038 4.282 4.320 0.000 0.000 0.216 206 A C 2.296 179.809 177.584 -0.120 0.000 1.186 206 A CA 1.302 53.151 52.037 -0.314 0.000 0.620 206 A CB -0.789 17.896 19.000 -0.525 0.000 0.822 206 A HN 0.529 nan 8.150 nan 0.000 0.443 207 I N -0.506 119.917 120.570 -0.245 0.000 2.252 207 I HA -0.243 3.927 4.170 0.000 0.000 0.245 207 I C 2.373 178.303 176.117 -0.313 0.000 1.102 207 I CA 0.993 62.051 61.300 -0.404 0.000 1.385 207 I CB -0.327 37.254 38.000 -0.700 0.000 1.064 207 I HN 0.292 nan 8.210 nan 0.000 0.414 208 L N -0.466 120.622 121.223 -0.226 0.000 2.046 208 L HA -0.269 4.071 4.340 0.000 0.000 0.208 208 L C 2.704 179.628 176.870 0.091 0.000 1.077 208 L CA 1.538 56.302 54.840 -0.128 0.000 0.747 208 L CB -0.770 41.209 42.059 -0.133 0.000 0.896 208 L HN 0.252 nan 8.230 nan 0.000 0.432 209 Y N 0.640 120.903 120.300 -0.063 0.000 2.097 209 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 209 Y C 2.462 178.372 175.900 0.016 0.000 1.152 209 Y CA 1.564 59.613 58.100 -0.084 0.000 1.136 209 Y CB -0.091 38.293 38.460 -0.126 0.000 0.975 209 Y HN -0.032 nan 8.280 nan 0.000 0.498 210 I N 0.347 120.955 120.570 0.063 0.000 2.226 210 I HA -0.207 3.963 4.170 0.000 0.000 0.245 210 I C 2.666 178.918 176.117 0.224 0.000 1.100 210 I CA 1.649 63.061 61.300 0.186 0.000 1.374 210 I CB -2.059 36.111 38.000 0.284 0.000 1.057 210 I HN 0.428 nan 8.210 nan 0.000 0.413 211 G N -0.547 108.341 108.800 0.147 0.000 2.443 211 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 211 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 211 G C 1.535 176.474 174.900 0.065 0.000 1.131 211 G CA -0.081 45.105 45.100 0.144 0.000 0.775 211 G HN 0.367 nan 8.290 nan 0.000 0.547 212 W N 0.612 121.763 121.300 -0.247 0.000 2.421 212 W HA 0.028 4.688 4.660 0.000 0.000 0.270 212 W C 1.636 177.966 176.519 -0.314 0.000 1.233 212 W CA 0.334 57.472 57.345 -0.345 0.000 1.226 212 W CB -0.327 28.803 29.460 -0.549 0.000 1.121 212 W HN 0.261 nan 8.180 nan 0.000 0.579 213 F N 0.034 120.006 119.950 0.037 0.000 2.259 213 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 213 F C 2.636 178.515 175.800 0.132 0.000 1.088 213 F CA 1.718 59.663 58.000 -0.092 0.000 1.358 213 F CB -1.237 37.538 39.000 -0.374 0.000 1.040 213 F HN -0.187 nan 8.300 nan 0.000 0.505 214 G N -1.011 107.970 108.800 0.302 0.000 2.403 214 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 214 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 214 G C 1.649 176.792 174.900 0.405 0.000 1.154 214 G CA 0.387 45.641 45.100 0.257 0.000 0.784 214 G HN 0.336 nan 8.290 nan 0.000 0.538 215 F N 1.840 121.871 119.950 0.134 0.000 2.051 215 F HA -0.084 4.443 4.527 -0.000 0.000 0.296 215 F C 2.539 178.578 175.800 0.399 0.000 1.122 215 F CA 1.884 59.922 58.000 0.063 0.000 1.201 215 F CB 0.011 38.721 39.000 -0.482 0.000 0.978 215 F HN 0.044 nan 8.300 nan 0.000 0.472 216 N N 0.511 119.613 118.700 0.669 0.000 2.109 216 N HA -0.059 4.681 4.740 0.000 0.000 0.188 216 N C 1.889 177.722 175.510 0.538 0.000 1.034 216 N CA 1.598 55.014 53.050 0.610 0.000 0.846 216 N CB -1.027 37.760 38.487 0.499 0.000 1.010 216 N HN 0.369 nan 8.380 nan 0.000 0.425 217 A N 0.385 123.490 122.820 0.475 0.000 1.930 217 A HA 0.052 4.372 4.320 0.000 0.000 0.217 217 A C 2.255 180.134 177.584 0.491 0.000 1.175 217 A CA 1.766 54.127 52.037 0.541 0.000 0.627 217 A CB -1.124 18.303 19.000 0.712 0.000 0.815 217 A HN 0.360 nan 8.150 nan 0.000 0.443 218 G N -0.952 108.014 108.800 0.277 0.000 2.471 218 G HA2 -0.075 3.885 3.960 0.000 0.000 0.219 218 G HA3 -0.075 3.885 3.960 0.000 0.000 0.219 218 G C 1.555 176.343 174.900 -0.185 0.000 1.125 218 G CA 1.079 46.101 45.100 -0.130 0.000 0.775 218 G HN 0.463 nan 8.290 nan 0.000 0.548 219 S N 0.565 116.349 115.700 0.141 0.000 2.547 219 S HA 0.109 4.579 4.470 0.000 0.000 0.235 219 S C 2.512 176.896 174.600 -0.360 0.000 0.980 219 S CA 0.707 58.797 58.200 -0.183 0.000 0.941 219 S CB -0.063 62.961 63.200 -0.293 0.000 0.763 219 S HN 0.573 nan 8.310 nan 0.000 0.532 220 A N 0.644 123.497 122.820 0.054 0.000 2.067 220 A HA 0.397 4.717 4.320 0.000 0.000 0.217 220 A C 1.921 179.506 177.584 0.001 0.000 1.156 220 A CA 1.058 53.192 52.037 0.162 0.000 0.683 220 A CB -0.848 18.358 19.000 0.344 0.000 0.808 220 A HN 0.853 nan 8.150 nan 0.000 0.455 221 G N -2.044 106.710 108.800 -0.078 0.000 2.162 221 G HA2 -0.163 3.797 3.960 0.000 0.000 0.260 221 G HA3 -0.163 3.797 3.960 0.000 0.000 0.260 221 G C 0.425 175.322 174.900 -0.004 0.000 0.976 221 G CA 1.298 46.327 45.100 -0.118 0.000 0.655 221 G HN 1.713 nan 8.290 nan 0.000 0.533 222 T N -2.103 112.511 114.554 0.099 0.000 2.886 222 T HA 0.674 5.024 4.350 0.000 0.000 0.330 222 T C -0.230 174.445 174.700 -0.042 0.000 1.488 222 T CA 0.594 62.733 62.100 0.065 0.000 1.054 222 T CB 1.070 69.935 68.868 -0.005 0.000 1.348 222 T HN 1.717 nan 8.240 nan 0.000 0.489 223 A N 3.859 126.507 122.820 -0.287 0.000 3.091 223 A HA 0.463 4.783 4.320 0.000 0.000 0.264 223 A C 0.609 177.979 177.584 -0.356 0.000 1.673 223 A CA -0.359 51.232 52.037 -0.743 0.000 1.362 223 A CB -1.468 17.038 19.000 -0.824 0.000 1.137 223 A HN 0.839 nan 8.150 nan 0.000 0.617 224 N N -0.681 117.892 118.700 -0.211 0.000 2.938 224 N HA 0.265 5.005 4.740 0.000 0.000 0.335 224 N C 0.896 176.353 175.510 -0.087 0.000 1.358 224 N CA -0.224 52.756 53.050 -0.117 0.000 0.812 224 N CB 0.336 38.790 38.487 -0.055 0.000 1.233 224 N HN 0.154 nan 8.380 nan 0.000 0.593 225 E N 0.279 120.449 120.200 -0.049 0.000 2.204 225 E HA -0.132 4.218 4.350 0.000 0.000 0.194 225 E C 1.632 178.224 176.600 -0.014 0.000 0.989 225 E CA 0.975 57.354 56.400 -0.034 0.000 0.824 225 E CB -0.162 29.524 29.700 -0.024 0.000 0.756 225 E HN 0.586 nan 8.360 nan 0.000 0.477 226 I N 1.910 122.484 120.570 0.007 0.000 2.353 226 I HA -0.074 4.097 4.170 0.000 0.000 0.248 226 I C 2.647 178.790 176.117 0.042 0.000 1.119 226 I CA 1.021 62.327 61.300 0.011 0.000 1.417 226 I CB -1.489 36.558 38.000 0.078 0.000 1.078 226 I HN 0.118 nan 8.210 nan 0.000 0.421 227 A N 1.114 123.991 122.820 0.096 0.000 1.902 227 A HA -0.101 4.219 4.320 0.000 0.000 0.217 227 A C 2.588 180.281 177.584 0.181 0.000 1.181 227 A CA 1.931 54.081 52.037 0.190 0.000 0.623 227 A CB -0.745 18.310 19.000 0.091 0.000 0.818 227 A HN 0.387 nan 8.150 nan 0.000 0.443 228 A N -0.412 122.444 122.820 0.059 0.000 1.902 228 A HA -0.046 4.274 4.320 0.000 0.000 0.217 228 A C 2.150 179.802 177.584 0.113 0.000 1.181 228 A CA 1.772 53.841 52.037 0.053 0.000 0.623 228 A CB -0.668 18.310 19.000 -0.037 0.000 0.818 228 A HN 0.734 nan 8.150 nan 0.000 0.443 229 L N -0.127 121.126 121.223 0.050 0.000 1.994 229 L HA -0.087 4.253 4.340 0.000 0.000 0.208 229 L C 2.675 179.569 176.870 0.040 0.000 1.071 229 L CA 2.413 57.266 54.840 0.022 0.000 0.745 229 L CB -0.880 41.150 42.059 -0.049 0.000 0.892 229 L HN 0.339 nan 8.230 nan 0.000 0.431 230 A N -1.074 121.750 122.820 0.006 0.000 1.908 230 A HA -0.272 4.048 4.320 0.000 0.000 0.218 230 A C 2.268 179.969 177.584 0.194 0.000 1.181 230 A CA 1.972 54.017 52.037 0.013 0.000 0.627 230 A CB -1.208 17.805 19.000 0.021 0.000 0.818 230 A HN 0.552 nan 8.150 nan 0.000 0.445 231 F N 0.572 120.629 119.950 0.177 0.000 2.075 231 F HA -0.153 4.374 4.527 0.000 0.000 0.297 231 F C 2.373 178.328 175.800 0.259 0.000 1.113 231 F CA 1.954 60.134 58.000 0.301 0.000 1.218 231 F CB -0.446 38.690 39.000 0.226 0.000 0.984 231 F HN 0.031 nan 8.300 nan 0.000 0.472 232 V N 0.725 120.919 119.914 0.468 0.000 2.343 232 V HA -0.330 3.790 4.120 0.000 0.000 0.247 232 V C 2.143 178.351 176.094 0.190 0.000 1.051 232 V CA 2.131 64.618 62.300 0.311 0.000 1.036 232 V CB -0.848 31.080 31.823 0.175 0.000 0.654 232 V HN 0.351 nan 8.190 nan 0.000 0.451 233 N N -0.073 118.698 118.700 0.118 0.000 2.289 233 N HA -0.122 4.618 4.740 0.000 0.000 0.184 233 N C 1.867 177.388 175.510 0.018 0.000 1.016 233 N CA 1.720 54.797 53.050 0.044 0.000 0.872 233 N CB -0.449 38.038 38.487 0.000 0.000 0.973 233 N HN 0.470 nan 8.380 nan 0.000 0.433 234 T N 0.481 115.048 114.554 0.021 0.000 2.812 234 T HA -0.012 4.338 4.350 0.000 0.000 0.264 234 T C 2.160 176.845 174.700 -0.024 0.000 1.042 234 T CA 0.651 62.673 62.100 -0.129 0.000 1.140 234 T CB -0.203 68.448 68.868 -0.362 0.000 0.870 234 T HN -0.044 nan 8.240 nan 0.000 0.445 235 V N 1.305 121.340 119.914 0.203 0.000 2.295 235 V HA -0.151 3.969 4.120 0.000 0.000 0.246 235 V C 2.649 178.842 176.094 0.166 0.000 1.049 235 V CA 1.422 63.913 62.300 0.319 0.000 1.024 235 V CB -0.684 31.352 31.823 0.354 0.000 0.648 235 V HN 0.304 nan 8.190 nan 0.000 0.447 236 V N 0.163 120.139 119.914 0.104 0.000 2.307 236 V HA -0.217 3.903 4.120 0.000 0.000 0.245 236 V C 2.696 178.788 176.094 -0.004 0.000 1.045 236 V CA 1.994 64.322 62.300 0.046 0.000 1.024 236 V CB -1.119 30.723 31.823 0.031 0.000 0.651 236 V HN 0.551 nan 8.190 nan 0.000 0.449 237 A N -0.249 122.550 122.820 -0.035 0.000 1.933 237 A HA -0.218 4.102 4.320 0.000 0.000 0.218 237 A C 2.388 179.915 177.584 -0.095 0.000 1.175 237 A CA 2.491 54.481 52.037 -0.078 0.000 0.628 237 A CB -0.951 17.986 19.000 -0.105 0.000 0.814 237 A HN 0.516 nan 8.150 nan 0.000 0.444 238 T N 0.345 114.839 114.554 -0.101 0.000 2.708 238 T HA -0.023 4.327 4.350 0.000 0.000 0.266 238 T C 2.265 176.905 174.700 -0.099 0.000 1.037 238 T CA 1.653 63.672 62.100 -0.135 0.000 1.146 238 T CB -0.511 68.310 68.868 -0.079 0.000 0.865 238 T HN 0.600 nan 8.240 nan 0.000 0.435 239 A N 1.561 124.353 122.820 -0.046 0.000 1.883 239 A HA 0.104 4.424 4.320 0.000 0.000 0.217 239 A C 2.652 180.226 177.584 -0.016 0.000 1.186 239 A CA 1.954 53.972 52.037 -0.031 0.000 0.624 239 A CB -1.168 17.837 19.000 0.008 0.000 0.822 239 A HN 0.515 nan 8.150 nan 0.000 0.444 240 A N -0.388 122.422 122.820 -0.018 0.000 1.933 240 A HA 0.192 4.512 4.320 0.000 0.000 0.218 240 A C 2.447 180.038 177.584 0.011 0.000 1.175 240 A CA 1.994 54.025 52.037 -0.011 0.000 0.628 240 A CB -0.847 18.134 19.000 -0.032 0.000 0.814 240 A HN 1.039 nan 8.150 nan 0.000 0.444 241 A N -0.259 122.560 122.820 -0.002 0.000 1.929 241 A HA 0.039 4.359 4.320 0.000 0.000 0.216 241 A C 2.074 179.717 177.584 0.098 0.000 1.176 241 A CA 1.231 53.295 52.037 0.045 0.000 0.628 241 A CB -0.501 18.496 19.000 -0.005 0.000 0.816 241 A HN 0.473 nan 8.150 nan 0.000 0.444 242 I N -0.196 120.389 120.570 0.024 0.000 2.179 242 I HA -0.266 3.904 4.170 0.000 0.000 0.242 242 I C 2.333 178.519 176.117 0.116 0.000 1.088 242 I CA 1.193 62.507 61.300 0.023 0.000 1.357 242 I CB -0.278 37.693 38.000 -0.049 0.000 1.051 242 I HN 0.296 nan 8.210 nan 0.000 0.409 243 L N 0.080 121.365 121.223 0.105 0.000 2.056 243 L HA -0.099 4.241 4.340 0.000 0.000 0.207 243 L C 2.687 179.692 176.870 0.225 0.000 1.078 243 L CA 1.450 56.382 54.840 0.153 0.000 0.749 243 L CB -1.213 40.900 42.059 0.091 0.000 0.901 243 L HN 0.312 nan 8.230 nan 0.000 0.433 244 G N -0.512 108.398 108.800 0.183 0.000 2.421 244 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 244 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 244 G C 1.365 176.448 174.900 0.306 0.000 1.171 244 G CA 0.319 45.544 45.100 0.209 0.000 0.775 244 G HN 0.402 nan 8.290 nan 0.000 0.543 245 W N 1.212 122.579 121.300 0.111 0.000 2.354 245 W HA -0.071 4.589 4.660 -0.000 0.000 0.315 245 W C 2.213 178.806 176.519 0.122 0.000 1.206 245 W CA 0.902 58.308 57.345 0.101 0.000 1.290 245 W CB -0.484 29.005 29.460 0.048 0.000 1.152 245 W HN 0.108 nan 8.180 nan 0.000 0.489 246 I N 0.382 121.243 120.570 0.485 0.000 2.264 246 I HA -0.297 3.873 4.170 0.000 0.000 0.248 246 I C 2.427 178.794 176.117 0.416 0.000 1.111 246 I CA 1.448 62.959 61.300 0.352 0.000 1.382 246 I CB -1.755 36.375 38.000 0.216 0.000 1.060 246 I HN -0.095 nan 8.210 nan 0.000 0.418 247 F N 1.866 121.994 119.950 0.296 0.000 2.113 247 F HA -0.079 4.448 4.527 0.000 0.000 0.297 247 F C 2.446 178.378 175.800 0.219 0.000 1.103 247 F CA 1.720 59.889 58.000 0.281 0.000 1.248 247 F CB -0.762 38.335 39.000 0.161 0.000 0.999 247 F HN 0.041 nan 8.300 nan 0.000 0.475 248 G N -0.474 108.428 108.800 0.170 0.000 2.418 248 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 248 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 248 G C 1.564 176.447 174.900 -0.029 0.000 1.158 248 G CA 0.834 45.931 45.100 -0.006 0.000 0.771 248 G HN 0.500 nan 8.290 nan 0.000 0.545 249 E N -0.940 119.298 120.200 0.063 0.000 2.077 249 E HA -0.156 4.194 4.350 0.000 0.000 0.193 249 E C 2.112 178.784 176.600 0.121 0.000 0.989 249 E CA 0.772 57.229 56.400 0.095 0.000 0.800 249 E CB -0.248 29.583 29.700 0.219 0.000 0.746 249 E HN 0.489 nan 8.360 nan 0.000 0.452 250 W N 0.865 122.125 121.300 -0.066 0.000 2.358 250 W HA -0.024 4.636 4.660 0.000 0.000 0.303 250 W C 2.210 178.627 176.519 -0.170 0.000 1.208 250 W CA 1.792 59.076 57.345 -0.102 0.000 1.274 250 W CB -0.591 28.802 29.460 -0.112 0.000 1.138 250 W HN 0.225 nan 8.180 nan 0.000 0.515 251 A N -0.777 122.008 122.820 -0.059 0.000 2.067 251 A HA -0.044 4.276 4.320 0.000 0.000 0.217 251 A C 1.853 179.398 177.584 -0.066 0.000 1.156 251 A CA 1.248 53.180 52.037 -0.175 0.000 0.683 251 A CB -0.563 18.206 19.000 -0.384 0.000 0.808 251 A HN 0.236 nan 8.150 nan 0.000 0.455 252 L N -1.810 119.398 121.223 -0.025 0.000 2.253 252 L HA 0.232 4.572 4.340 0.000 0.000 0.205 252 L C 1.788 178.668 176.870 0.018 0.000 1.078 252 L CA 1.113 55.949 54.840 -0.008 0.000 0.805 252 L CB 0.085 42.135 42.059 -0.015 0.000 0.963 252 L HN 0.117 nan 8.230 nan 0.000 0.459 253 R N -0.738 119.789 120.500 0.045 0.000 2.446 253 R HA 0.432 4.772 4.340 0.000 0.000 0.254 253 R C 1.241 177.587 176.300 0.077 0.000 0.918 253 R CA 0.610 56.739 56.100 0.048 0.000 1.069 253 R CB 0.232 30.556 30.300 0.041 0.000 1.194 253 R HN 0.384 nan 8.270 nan 0.000 0.534 254 G N 1.456 110.340 108.800 0.140 0.000 2.205 254 G HA2 -0.281 3.679 3.960 0.000 0.000 0.261 254 G HA3 -0.281 3.679 3.960 0.000 0.000 0.261 254 G C -0.139 174.973 174.900 0.353 0.000 0.980 254 G CA 0.617 45.847 45.100 0.216 0.000 0.632 254 G HN 0.250 nan 8.290 nan 0.000 0.533 255 L N -3.199 118.109 121.223 0.143 0.000 2.556 255 L HA 0.864 5.204 4.340 0.000 0.000 0.257 255 L C -2.800 173.793 176.870 -0.463 0.000 0.955 255 L CA -2.719 51.974 54.840 -0.245 0.000 0.850 255 L CB 0.874 42.866 42.059 -0.111 0.000 1.398 255 L HN -0.053 nan 8.230 nan 0.000 0.412 256 P HA 0.490 nan 4.420 nan 0.000 0.276 256 P C -0.892 176.229 177.300 -0.298 0.000 1.252 256 P CA -0.189 62.582 63.100 -0.548 0.000 0.802 256 P CB 1.683 32.901 31.700 -0.803 0.000 1.035 257 S N 0.244 115.843 115.700 -0.169 0.000 2.595 257 S HA 0.266 4.736 4.470 0.000 0.000 0.281 257 S C 0.704 175.227 174.600 -0.129 0.000 1.117 257 S CA -0.708 57.419 58.200 -0.122 0.000 0.873 257 S CB 1.133 64.302 63.200 -0.051 0.000 1.108 257 S HN 0.264 nan 8.310 nan 0.000 0.477 258 L N 1.438 122.585 121.223 -0.126 0.000 2.017 258 L HA 0.116 4.456 4.340 0.000 0.000 0.208 258 L C 2.081 178.865 176.870 -0.144 0.000 1.073 258 L CA 1.805 56.565 54.840 -0.133 0.000 0.745 258 L CB -1.075 40.905 42.059 -0.132 0.000 0.894 258 L HN 0.863 nan 8.230 nan 0.000 0.432 259 L N -0.283 120.857 121.223 -0.138 0.000 2.083 259 L HA -0.045 4.295 4.340 0.000 0.000 0.209 259 L C 2.295 178.990 176.870 -0.292 0.000 1.083 259 L CA 1.942 56.670 54.840 -0.186 0.000 0.752 259 L CB -1.171 40.827 42.059 -0.102 0.000 0.899 259 L HN 0.353 nan 8.230 nan 0.000 0.433 260 G N -1.382 107.282 108.800 -0.227 0.000 2.402 260 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 260 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 260 G C 1.617 176.124 174.900 -0.655 0.000 1.162 260 G CA 0.681 45.536 45.100 -0.410 0.000 0.777 260 G HN 0.577 nan 8.290 nan 0.000 0.539 261 A N 0.027 122.659 122.820 -0.312 0.000 1.902 261 A HA -0.083 4.237 4.320 0.000 0.000 0.217 261 A C 2.588 179.998 177.584 -0.290 0.000 1.181 261 A CA 1.841 53.738 52.037 -0.234 0.000 0.623 261 A CB -1.003 17.917 19.000 -0.132 0.000 0.818 261 A HN 0.424 nan 8.150 nan 0.000 0.443 262 C N -0.800 118.336 119.300 -0.275 0.000 2.446 262 C HA -0.034 4.426 4.460 0.000 0.000 0.277 262 C C 3.258 178.035 174.990 -0.354 0.000 1.275 262 C CA 1.230 60.109 59.018 -0.231 0.000 1.727 262 C CB -1.211 26.446 27.740 -0.138 0.000 2.010 262 C HN 0.613 nan 8.230 nan 0.000 0.486 263 S N 0.770 116.098 115.700 -0.621 0.000 2.382 263 S HA -0.063 4.407 4.470 0.000 0.000 0.228 263 S C 2.081 176.157 174.600 -0.874 0.000 1.027 263 S CA 1.462 59.134 58.200 -0.880 0.000 0.991 263 S CB -0.662 61.590 63.200 -1.579 0.000 0.823 263 S HN 0.767 nan 8.310 nan 0.000 0.469 264 G N 1.471 109.752 108.800 -0.866 0.000 2.418 264 G HA2 -0.081 3.879 3.960 0.000 0.000 0.217 264 G HA3 -0.081 3.879 3.960 0.000 0.000 0.217 264 G C 1.566 176.359 174.900 -0.179 0.000 1.158 264 G CA 0.929 45.905 45.100 -0.207 0.000 0.771 264 G HN 0.573 nan 8.290 nan 0.000 0.545 265 A N 1.115 123.775 122.820 -0.267 0.000 1.865 265 A HA -0.012 4.308 4.320 0.000 0.000 0.217 265 A C 2.346 179.717 177.584 -0.356 0.000 1.191 265 A CA 1.547 53.411 52.037 -0.289 0.000 0.623 265 A CB -0.345 18.468 19.000 -0.311 0.000 0.826 265 A HN 0.267 nan 8.150 nan 0.000 0.444 266 I N 0.109 120.465 120.570 -0.356 0.000 2.226 266 I HA -0.254 3.917 4.170 0.000 0.000 0.245 266 I C 2.941 178.798 176.117 -0.433 0.000 1.100 266 I CA 1.417 62.458 61.300 -0.432 0.000 1.374 266 I CB -1.720 36.075 38.000 -0.342 0.000 1.057 266 I HN 0.374 nan 8.210 nan 0.000 0.413 267 A N 1.029 123.705 122.820 -0.240 0.000 1.883 267 A HA -0.133 4.187 4.320 0.000 0.000 0.217 267 A C 2.527 180.007 177.584 -0.173 0.000 1.186 267 A CA 2.053 54.032 52.037 -0.097 0.000 0.624 267 A CB -1.351 17.764 19.000 0.192 0.000 0.822 267 A HN 0.432 nan 8.150 nan 0.000 0.444 268 G N -0.502 108.177 108.800 -0.202 0.000 2.408 268 G HA2 -0.081 3.879 3.960 0.000 0.000 0.217 268 G HA3 -0.081 3.879 3.960 0.000 0.000 0.217 268 G C 1.562 176.233 174.900 -0.381 0.000 1.150 268 G CA 0.929 45.897 45.100 -0.219 0.000 0.776 268 G HN 0.422 nan 8.290 nan 0.000 0.542 269 L N 0.184 121.012 121.223 -0.659 0.000 2.046 269 L HA -0.085 4.256 4.340 0.000 0.000 0.208 269 L C 2.987 179.310 176.870 -0.913 0.000 1.077 269 L CA 0.531 54.644 54.840 -1.211 0.000 0.747 269 L CB -0.451 40.276 42.059 -2.219 0.000 0.896 269 L HN 0.088 nan 8.230 nan 0.000 0.432 270 V N -0.017 119.481 119.914 -0.693 0.000 2.307 270 V HA -0.188 3.932 4.120 0.000 0.000 0.245 270 V C 2.623 178.632 176.094 -0.141 0.000 1.045 270 V CA 2.004 64.026 62.300 -0.463 0.000 1.024 270 V CB -1.263 30.226 31.823 -0.556 0.000 0.651 270 V HN 0.561 nan 8.190 nan 0.000 0.449 271 G N -0.833 107.890 108.800 -0.128 0.000 2.440 271 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 271 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 271 G C 1.699 176.623 174.900 0.041 0.000 1.154 271 G CA 1.236 46.331 45.100 -0.009 0.000 0.767 271 G HN 0.390 nan 8.290 nan 0.000 0.552 272 V N 0.546 120.448 119.914 -0.020 0.000 3.306 272 V HA -0.024 4.096 4.120 0.000 0.000 0.264 272 V C 2.882 179.080 176.094 0.174 0.000 1.149 272 V CA 2.028 64.349 62.300 0.034 0.000 1.143 272 V CB -0.468 31.320 31.823 -0.058 0.000 0.767 272 V HN 0.387 nan 8.190 nan 0.000 0.476 273 T N 1.970 116.692 114.554 0.279 0.000 2.624 273 T HA -0.123 4.227 4.350 0.000 0.000 0.268 273 T C -0.195 174.846 174.700 0.567 0.000 1.041 273 T CA 2.316 64.763 62.100 0.578 0.000 1.159 273 T CB -1.126 68.266 68.868 0.872 0.000 0.863 273 T HN 0.564 nan 8.240 nan 0.000 0.434 274 P HA 0.190 nan 4.420 nan 0.000 0.225 274 P C 0.846 178.451 177.300 0.508 0.000 1.156 274 P CA 0.913 64.315 63.100 0.503 0.000 0.787 274 P CB 0.044 31.988 31.700 0.407 0.000 0.802 275 A N -0.140 122.904 122.820 0.373 0.000 2.140 275 A HA 0.027 4.347 4.320 0.000 0.000 0.209 275 A C 2.352 180.013 177.584 0.128 0.000 1.181 275 A CA 0.649 52.878 52.037 0.320 0.000 0.824 275 A CB -1.633 17.513 19.000 0.242 0.000 0.879 275 A HN 0.375 nan 8.150 nan 0.000 0.480 276 C N -1.121 118.210 119.300 0.052 0.000 2.385 276 C HA -0.071 4.389 4.460 0.000 0.000 0.275 276 C C 2.430 177.144 174.990 -0.459 0.000 1.199 276 C CA 0.989 59.934 59.018 -0.123 0.000 1.782 276 C CB -1.714 26.020 27.740 -0.011 0.000 2.068 276 C HN 0.520 nan 8.230 nan 0.000 0.471 277 G N -2.219 105.881 108.800 -1.167 0.000 3.042 277 G HA2 0.269 4.229 3.960 0.000 0.000 0.212 277 G HA3 0.269 4.229 3.960 0.000 0.000 0.212 277 G C 0.863 175.278 174.900 -0.809 0.000 1.166 277 G CA 0.362 44.506 45.100 -1.593 0.000 0.767 277 G HN 0.667 nan 8.290 nan 0.000 0.546 278 Y N 0.099 120.289 120.300 -0.183 0.000 2.445 278 Y HA 0.386 4.936 4.550 -0.000 0.000 0.247 278 Y C 1.145 177.037 175.900 -0.013 0.000 1.129 278 Y CA -1.559 56.526 58.100 -0.025 0.000 1.251 278 Y CB 0.195 38.704 38.460 0.082 0.000 1.176 278 Y HN 0.220 nan 8.280 nan 0.000 0.522 279 I N -2.246 118.390 120.570 0.110 0.000 2.982 279 I HA 0.914 5.084 4.170 0.000 0.000 0.312 279 I C 0.578 176.724 176.117 0.048 0.000 1.041 279 I CA -1.287 60.078 61.300 0.107 0.000 1.053 279 I CB 1.519 39.598 38.000 0.132 0.000 1.248 279 I HN -0.027 nan 8.210 nan 0.000 0.471 280 G N 1.278 110.117 108.800 0.065 0.000 2.528 280 G HA2 0.414 4.374 3.960 0.000 0.000 0.289 280 G HA3 0.414 4.374 3.960 0.000 0.000 0.289 280 G C 0.662 175.571 174.900 0.016 0.000 1.192 280 G CA -0.625 44.498 45.100 0.038 0.000 0.921 280 G HN 0.580 nan 8.290 nan 0.000 0.512 281 V N 1.306 121.227 119.914 0.011 0.000 2.490 281 V HA -0.115 4.005 4.120 0.000 0.000 0.250 281 V C 2.968 179.050 176.094 -0.021 0.000 1.061 281 V CA 2.392 64.692 62.300 0.001 0.000 1.064 281 V CB -0.898 30.934 31.823 0.015 0.000 0.670 281 V HN 0.837 nan 8.190 nan 0.000 0.461 282 G N 0.145 108.941 108.800 -0.007 0.000 2.408 282 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 282 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 282 G C 1.613 176.452 174.900 -0.101 0.000 1.150 282 G CA 0.841 45.929 45.100 -0.019 0.000 0.776 282 G HN 0.574 nan 8.290 nan 0.000 0.542 283 G N 1.005 109.743 108.800 -0.104 0.000 2.408 283 G HA2 0.083 4.043 3.960 0.000 0.000 0.217 283 G HA3 0.083 4.043 3.960 0.000 0.000 0.217 283 G C 2.012 176.649 174.900 -0.439 0.000 1.150 283 G CA 1.428 46.276 45.100 -0.420 0.000 0.776 283 G HN 0.607 nan 8.290 nan 0.000 0.542 284 A N 0.481 123.185 122.820 -0.193 0.000 1.902 284 A HA 0.095 4.415 4.320 0.000 0.000 0.217 284 A C 2.354 179.848 177.584 -0.150 0.000 1.181 284 A CA 1.407 53.359 52.037 -0.141 0.000 0.623 284 A CB -0.410 18.552 19.000 -0.063 0.000 0.818 284 A HN 0.403 nan 8.150 nan 0.000 0.443 285 L N -0.473 120.670 121.223 -0.133 0.000 2.017 285 L HA -0.136 4.204 4.340 0.000 0.000 0.208 285 L C 2.369 179.154 176.870 -0.142 0.000 1.073 285 L CA 1.552 56.329 54.840 -0.104 0.000 0.745 285 L CB -0.230 41.787 42.059 -0.071 0.000 0.894 285 L HN 0.430 nan 8.230 nan 0.000 0.432 286 I N -0.274 120.157 120.570 -0.231 0.000 2.202 286 I HA -0.333 3.837 4.170 0.000 0.000 0.242 286 I C 2.389 178.360 176.117 -0.243 0.000 1.091 286 I CA 1.447 62.598 61.300 -0.249 0.000 1.368 286 I CB -0.232 37.542 38.000 -0.377 0.000 1.058 286 I HN 0.244 nan 8.210 nan 0.000 0.410 287 I N 0.705 121.072 120.570 -0.339 0.000 2.286 287 I HA -0.218 3.952 4.170 0.000 0.000 0.248 287 I C 2.650 178.708 176.117 -0.098 0.000 1.115 287 I CA 1.541 62.726 61.300 -0.191 0.000 1.392 287 I CB -0.846 37.052 38.000 -0.170 0.000 1.065 287 I HN 0.281 nan 8.210 nan 0.000 0.418 288 G N 0.599 109.336 108.800 -0.105 0.000 2.433 288 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 288 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 288 G C 1.701 176.585 174.900 -0.027 0.000 1.186 288 G CA 0.948 46.009 45.100 -0.066 0.000 0.779 288 G HN 0.230 nan 8.290 nan 0.000 0.543 289 V N 0.561 120.454 119.914 -0.033 0.000 2.287 289 V HA -0.193 3.927 4.120 0.000 0.000 0.248 289 V C 3.065 179.168 176.094 0.015 0.000 1.053 289 V CA 1.664 63.962 62.300 -0.003 0.000 1.027 289 V CB -0.557 31.250 31.823 -0.028 0.000 0.646 289 V HN 0.247 nan 8.190 nan 0.000 0.447 290 V N 0.250 120.162 119.914 -0.004 0.000 2.343 290 V HA -0.235 3.885 4.120 0.000 0.000 0.247 290 V C 2.689 178.798 176.094 0.026 0.000 1.051 290 V CA 1.939 64.245 62.300 0.010 0.000 1.036 290 V CB -1.151 30.680 31.823 0.012 0.000 0.654 290 V HN 0.560 nan 8.190 nan 0.000 0.451 291 A N 0.582 123.418 122.820 0.026 0.000 1.902 291 A HA -0.071 4.249 4.320 0.000 0.000 0.217 291 A C 2.422 180.066 177.584 0.100 0.000 1.181 291 A CA 1.890 53.957 52.037 0.049 0.000 0.623 291 A CB -1.187 17.822 19.000 0.015 0.000 0.818 291 A HN 0.519 nan 8.150 nan 0.000 0.443 292 G N -0.137 108.733 108.800 0.117 0.000 2.421 292 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 292 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 292 G C 1.557 176.521 174.900 0.106 0.000 1.171 292 G CA 1.075 46.317 45.100 0.237 0.000 0.775 292 G HN 0.431 nan 8.290 nan 0.000 0.543 293 L N 0.563 121.810 121.223 0.041 0.000 2.093 293 L HA 0.015 4.355 4.340 0.000 0.000 0.208 293 L C 3.394 180.242 176.870 -0.036 0.000 1.085 293 L CA 0.876 55.697 54.840 -0.032 0.000 0.755 293 L CB -0.356 41.716 42.059 0.022 0.000 0.904 293 L HN 0.308 nan 8.230 nan 0.000 0.435 294 A N 0.335 123.169 122.820 0.024 0.000 1.898 294 A HA -0.105 4.215 4.320 0.000 0.000 0.216 294 A C 2.399 180.078 177.584 0.159 0.000 1.181 294 A CA 1.658 53.750 52.037 0.092 0.000 0.620 294 A CB -1.189 17.853 19.000 0.070 0.000 0.819 294 A HN 0.428 nan 8.150 nan 0.000 0.442 295 G N -0.109 108.743 108.800 0.087 0.000 2.418 295 G HA2 -0.149 3.812 3.960 0.000 0.000 0.217 295 G HA3 -0.149 3.812 3.960 0.000 0.000 0.217 295 G C 1.487 176.199 174.900 -0.313 0.000 1.158 295 G CA 1.208 46.390 45.100 0.136 0.000 0.771 295 G HN 0.505 nan 8.290 nan 0.000 0.545 296 L N -0.364 120.250 121.223 -1.015 0.000 2.042 296 L HA 0.012 4.352 4.340 0.000 0.000 0.210 296 L C 2.433 179.063 176.870 -0.400 0.000 1.076 296 L CA 1.901 55.972 54.840 -1.283 0.000 0.749 296 L CB -0.776 40.517 42.059 -1.277 0.000 0.893 296 L HN 0.461 nan 8.230 nan 0.000 0.432 297 W N 0.412 121.520 121.300 -0.320 0.000 2.355 297 W HA -0.076 4.584 4.660 0.000 0.000 0.309 297 W C 2.257 178.730 176.519 -0.077 0.000 1.206 297 W CA 2.429 59.684 57.345 -0.150 0.000 1.284 297 W CB -0.836 28.567 29.460 -0.094 0.000 1.145 297 W HN 0.218 nan 8.180 nan 0.000 0.502 298 G N 0.696 109.516 108.800 0.035 0.000 2.459 298 G HA2 -0.335 3.625 3.960 0.000 0.000 0.217 298 G HA3 -0.335 3.625 3.960 0.000 0.000 0.217 298 G C 1.470 176.265 174.900 -0.174 0.000 1.183 298 G CA 2.534 47.556 45.100 -0.130 0.000 0.776 298 G HN 0.536 nan 8.290 nan 0.000 0.552 299 V N -0.945 118.952 119.914 -0.029 0.000 2.515 299 V HA 0.015 4.135 4.120 0.000 0.000 0.250 299 V C 1.750 177.808 176.094 -0.059 0.000 1.058 299 V CA 1.553 63.881 62.300 0.046 0.000 1.064 299 V CB -1.352 30.616 31.823 0.241 0.000 0.675 299 V HN 0.191 nan 8.190 nan 0.000 0.461 303 K N 1.626 121.993 120.400 -0.055 0.000 2.147 303 K HA -0.043 4.277 4.320 0.000 0.000 0.205 303 K C 1.834 178.404 176.600 -0.050 0.000 1.049 303 K CA 1.697 57.955 56.287 -0.047 0.000 0.936 303 K CB -0.028 32.444 32.500 -0.047 0.000 0.722 303 K HN 0.194 nan 8.250 nan 0.000 0.446 304 R N -0.275 120.186 120.500 -0.065 0.000 2.148 304 R HA 0.029 4.370 4.340 0.000 0.000 0.223 304 R C 2.192 178.472 176.300 -0.032 0.000 1.088 304 R CA 1.252 57.320 56.100 -0.052 0.000 0.985 304 R CB -0.206 30.054 30.300 -0.068 0.000 0.880 304 R HN 0.200 nan 8.270 nan 0.000 0.451 305 L N -0.257 120.949 121.223 -0.028 0.000 2.145 305 L HA -0.063 4.277 4.340 0.000 0.000 0.201 305 L C 2.128 179.000 176.870 0.003 0.000 1.075 305 L CA 0.365 55.203 54.840 -0.003 0.000 0.773 305 L CB -0.213 41.852 42.059 0.010 0.000 0.936 305 L HN 0.163 nan 8.230 nan 0.000 0.451 306 L N -0.149 121.072 121.223 -0.003 0.000 2.102 306 L HA -0.030 4.310 4.340 0.000 0.000 0.202 306 L C 1.927 178.783 176.870 -0.023 0.000 1.076 306 L CA 1.490 56.326 54.840 -0.007 0.000 0.761 306 L CB -0.584 41.471 42.059 -0.007 0.000 0.921 306 L HN 0.463 nan 8.230 nan 0.000 0.444 307 R N -0.959 119.521 120.500 -0.033 0.000 3.728 307 R HA -0.166 4.174 4.340 0.000 0.000 0.478 307 R C -0.863 175.403 176.300 -0.057 0.000 0.932 307 R CA 1.048 57.125 56.100 -0.038 0.000 1.317 307 R CB -2.044 28.241 30.300 -0.025 0.000 1.987 307 R HN 0.261 nan 8.270 nan 0.000 0.509 308 V N 0.973 120.842 119.914 -0.077 0.000 3.114 308 V HA 0.532 4.652 4.120 0.000 0.000 0.308 308 V C -1.016 174.956 176.094 -0.202 0.000 1.168 308 V CA -0.637 61.588 62.300 -0.124 0.000 1.015 308 V CB 1.988 33.751 31.823 -0.100 0.000 1.050 308 V HN 0.232 nan 8.190 nan 0.000 0.433 309 D N 3.257 123.431 120.400 -0.376 0.000 2.389 309 D HA 0.392 5.032 4.640 0.000 0.000 0.247 309 D C -0.682 175.284 176.300 -0.557 0.000 1.128 309 D CA 0.656 54.202 54.000 -0.756 0.000 0.884 309 D CB 1.031 40.861 40.800 -1.616 0.000 1.194 309 D HN 0.662 nan 8.370 nan 0.000 0.441 310 D N 1.548 121.801 120.400 -0.245 0.000 2.837 310 D HA 0.115 4.755 4.640 0.000 0.000 0.220 310 D C -2.114 174.380 176.300 0.324 0.000 1.236 310 D CA -1.632 52.405 54.000 0.062 0.000 0.838 310 D CB 2.858 43.673 40.800 0.025 0.000 1.647 310 D HN -0.034 nan 8.370 nan 0.000 0.486 311 P HA -0.082 nan 4.420 nan 0.000 0.219 311 P C 1.410 178.767 177.300 0.094 0.000 1.146 311 P CA 0.729 63.970 63.100 0.236 0.000 0.808 311 P CB 0.081 31.868 31.700 0.145 0.000 0.779 312 C N 0.000 119.323 119.300 0.038 0.000 2.466 312 C HA -0.018 4.442 4.460 0.000 0.000 0.283 312 C C 2.178 177.198 174.990 0.051 0.000 1.472 312 C CA 0.495 59.498 59.018 -0.025 0.000 1.765 312 C CB -1.961 25.914 27.740 0.225 0.000 1.724 312 C HN 0.266 nan 8.230 nan 0.000 0.560 313 D N 0.799 121.275 120.400 0.127 0.000 2.218 313 D HA -0.092 4.548 4.640 0.000 0.000 0.204 313 D C 2.092 178.496 176.300 0.173 0.000 0.976 313 D CA 0.843 54.950 54.000 0.179 0.000 0.853 313 D CB -0.216 40.731 40.800 0.245 0.000 0.939 313 D HN 0.293 nan 8.370 nan 0.000 0.481 314 V N 0.596 120.556 119.914 0.077 0.000 2.392 314 V HA -0.255 3.865 4.120 0.000 0.000 0.249 314 V C 2.067 178.288 176.094 0.211 0.000 1.059 314 V CA 1.350 63.719 62.300 0.115 0.000 1.051 314 V CB -0.690 31.161 31.823 0.047 0.000 0.658 314 V HN 0.214 nan 8.190 nan 0.000 0.455 315 F N 0.776 120.909 119.950 0.304 0.000 2.365 315 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 315 F C 2.379 178.337 175.800 0.263 0.000 1.090 315 F CA 0.771 58.932 58.000 0.267 0.000 1.408 315 F CB -0.692 38.419 39.000 0.184 0.000 1.060 315 F HN 0.267 nan 8.300 nan 0.000 0.534 316 G N 0.093 109.118 108.800 0.376 0.000 2.408 316 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 316 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 316 G C 1.680 176.757 174.900 0.296 0.000 1.150 316 G CA 1.024 46.296 45.100 0.287 0.000 0.776 316 G HN 0.223 nan 8.290 nan 0.000 0.542 317 V N 0.296 120.397 119.914 0.312 0.000 2.283 317 V HA -0.139 3.981 4.120 0.000 0.000 0.243 317 V C 2.477 178.678 176.094 0.179 0.000 1.039 317 V CA 1.648 64.101 62.300 0.255 0.000 1.016 317 V CB -0.722 31.225 31.823 0.207 0.000 0.650 317 V HN 0.430 nan 8.190 nan 0.000 0.449 318 H N 0.205 119.415 119.070 0.234 0.000 2.387 318 H HA -0.097 4.459 4.556 0.000 0.000 0.299 318 H C 2.345 177.843 175.328 0.284 0.000 1.090 318 H CA 1.720 57.920 56.048 0.254 0.000 1.332 318 H CB -0.326 29.654 29.762 0.362 0.000 1.386 318 H HN 0.502 nan 8.280 nan 0.000 0.516 319 G N 0.360 109.405 108.800 0.409 0.000 2.424 319 G HA2 -0.165 3.795 3.960 0.000 0.000 0.214 319 G HA3 -0.165 3.795 3.960 0.000 0.000 0.214 319 G C 1.946 177.006 174.900 0.266 0.000 1.202 319 G CA 0.927 46.221 45.100 0.324 0.000 0.793 319 G HN 0.219 nan 8.290 nan 0.000 0.534 320 V N 0.663 120.735 119.914 0.263 0.000 2.295 320 V HA -0.207 3.913 4.120 0.000 0.000 0.246 320 V C 3.061 179.274 176.094 0.197 0.000 1.049 320 V CA 1.857 64.308 62.300 0.252 0.000 1.024 320 V CB -0.667 31.345 31.823 0.315 0.000 0.648 320 V HN 0.505 nan 8.190 nan 0.000 0.447 321 C N 0.738 120.140 119.300 0.171 0.000 2.435 321 C HA 0.024 4.484 4.460 0.000 0.000 0.279 321 C C 2.866 177.927 174.990 0.118 0.000 1.321 321 C CA 0.451 59.535 59.018 0.110 0.000 1.752 321 C CB -1.694 26.072 27.740 0.042 0.000 1.959 321 C HN 0.686 nan 8.230 nan 0.000 0.500 322 G N 0.772 109.674 108.800 0.171 0.000 2.402 322 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 322 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 322 G C 1.482 176.508 174.900 0.210 0.000 1.162 322 G CA 0.656 45.898 45.100 0.236 0.000 0.777 322 G HN 0.518 nan 8.290 nan 0.000 0.539 323 I N 0.308 120.992 120.570 0.190 0.000 2.179 323 I HA -0.159 4.011 4.170 0.000 0.000 0.242 323 I C 2.801 178.999 176.117 0.135 0.000 1.088 323 I CA 0.549 61.944 61.300 0.158 0.000 1.357 323 I CB -0.298 37.793 38.000 0.150 0.000 1.051 323 I HN 0.020 nan 8.210 nan 0.000 0.409 324 V N 1.075 121.063 119.914 0.124 0.000 2.287 324 V HA -0.248 3.872 4.120 0.000 0.000 0.248 324 V C 2.582 178.749 176.094 0.122 0.000 1.053 324 V CA 2.293 64.654 62.300 0.102 0.000 1.027 324 V CB -1.431 30.441 31.823 0.083 0.000 0.646 324 V HN 0.592 nan 8.190 nan 0.000 0.447 325 G N -1.525 107.355 108.800 0.132 0.000 2.418 325 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 325 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 325 G C 1.908 176.923 174.900 0.192 0.000 1.158 325 G CA 1.155 46.347 45.100 0.153 0.000 0.771 325 G HN 0.558 nan 8.290 nan 0.000 0.545 326 C N 0.272 119.688 119.300 0.193 0.000 2.429 326 C HA 0.236 4.696 4.460 0.000 0.000 0.277 326 C C 1.994 177.081 174.990 0.162 0.000 1.262 326 C CA -0.548 58.584 59.018 0.191 0.000 1.733 326 C CB -1.025 26.816 27.740 0.167 0.000 2.010 326 C HN 0.343 nan 8.230 nan 0.000 0.483 330 G N 0.989 109.928 108.800 0.230 0.000 2.509 330 G HA2 0.065 4.025 3.960 0.000 0.000 0.218 330 G HA3 0.065 4.025 3.960 0.000 0.000 0.218 330 G C 1.228 176.295 174.900 0.278 0.000 1.124 330 G CA 0.733 45.969 45.100 0.226 0.000 0.776 330 G HN 0.541 nan 8.290 nan 0.000 0.547 331 I N -1.210 119.471 120.570 0.184 0.000 2.681 331 I HA 0.178 4.348 4.170 0.000 0.000 0.247 331 I C 1.739 177.786 176.117 -0.116 0.000 1.091 331 I CA 0.205 61.507 61.300 0.004 0.000 1.442 331 I CB -0.040 37.825 38.000 -0.224 0.000 1.219 331 I HN -0.005 nan 8.210 nan 0.000 0.451 332 F N 1.368 121.392 119.950 0.123 0.000 2.771 332 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 332 F C 2.327 178.133 175.800 0.010 0.000 1.177 332 F CA 0.607 58.646 58.000 0.065 0.000 1.450 332 F CB -0.549 38.489 39.000 0.065 0.000 1.114 332 F HN 0.003 nan 8.300 nan 0.000 0.587 333 A N 0.233 123.100 122.820 0.078 0.000 2.168 333 A HA 0.339 4.659 4.320 0.000 0.000 0.215 333 A C 1.585 178.876 177.584 -0.488 0.000 1.152 333 A CA 0.528 52.493 52.037 -0.120 0.000 0.716 333 A CB -0.874 18.047 19.000 -0.132 0.000 0.794 333 A HN 0.148 nan 8.150 nan 0.000 0.465 334 A N 0.480 122.997 122.820 -0.505 0.000 2.477 334 A HA 0.402 4.722 4.320 0.000 0.000 0.246 334 A C 1.607 179.062 177.584 -0.215 0.000 1.078 334 A CA 0.388 52.135 52.037 -0.484 0.000 0.770 334 A CB 0.099 19.011 19.000 -0.147 0.000 1.011 334 A HN 0.949 nan 8.150 nan 0.000 0.494 335 S N 1.689 117.280 115.700 -0.182 0.000 2.402 335 S HA -0.186 4.284 4.470 0.000 0.000 0.229 335 S C 1.837 176.417 174.600 -0.034 0.000 1.021 335 S CA 1.402 59.554 58.200 -0.080 0.000 0.974 335 S CB -0.898 62.268 63.200 -0.057 0.000 0.800 335 S HN 1.404 nan 8.310 nan 0.000 0.484 336 S N 2.143 117.827 115.700 -0.028 0.000 2.440 336 S HA 0.047 4.517 4.470 0.000 0.000 0.238 336 S C 1.452 176.054 174.600 0.003 0.000 1.010 336 S CA 1.038 59.235 58.200 -0.006 0.000 0.972 336 S CB -0.749 62.450 63.200 -0.001 0.000 0.774 336 S HN 0.589 nan 8.310 nan 0.000 0.501 337 L N 0.592 121.814 121.223 -0.001 0.000 2.769 337 L HA 0.417 4.757 4.340 0.000 0.000 0.240 337 L C 1.594 178.522 176.870 0.097 0.000 1.163 337 L CA 0.211 55.084 54.840 0.055 0.000 0.962 337 L CB -0.078 41.992 42.059 0.018 0.000 1.258 337 L HN 0.540 nan 8.230 nan 0.000 0.513 338 G N 0.046 108.873 108.800 0.045 0.000 2.157 338 G HA2 -0.228 3.732 3.960 0.000 0.000 0.248 338 G HA3 -0.228 3.732 3.960 0.000 0.000 0.248 338 G C 0.557 175.478 174.900 0.036 0.000 0.979 338 G CA -0.085 45.041 45.100 0.043 0.000 0.650 338 G HN 0.502 nan 8.290 nan 0.000 0.529 339 G N -1.352 107.458 108.800 0.017 0.000 2.563 339 G HA2 0.544 4.504 3.960 0.000 0.000 0.283 339 G HA3 0.544 4.504 3.960 0.000 0.000 0.283 339 G C 1.218 176.102 174.900 -0.027 0.000 1.309 339 G CA 0.545 45.647 45.100 0.004 0.000 1.022 339 G HN 0.997 nan 8.290 nan 0.000 0.501 340 V N -0.425 119.489 119.914 0.000 0.000 2.719 340 V HA 0.449 4.569 4.120 0.000 0.000 0.252 340 V C 1.221 177.286 176.094 -0.048 0.000 1.065 340 V CA 2.335 64.648 62.300 0.022 0.000 1.086 340 V CB -0.834 31.078 31.823 0.148 0.000 0.700 340 V HN 1.975 nan 8.190 nan 0.000 0.467 341 G N -1.263 107.421 108.800 -0.193 0.000 2.406 341 G HA2 0.040 4.000 3.960 0.000 0.000 0.680 341 G HA3 0.040 4.000 3.960 0.000 0.000 0.680 341 G C -0.965 173.747 174.900 -0.313 0.000 1.338 341 G CA -0.459 44.480 45.100 -0.269 0.000 0.941 341 G HN 0.207 nan 8.290 nan 0.000 0.633 342 F N 0.926 120.882 119.950 0.011 0.000 2.408 342 F HA 0.801 5.328 4.527 0.000 0.000 0.325 342 F C 1.251 177.053 175.800 0.004 0.000 1.082 342 F CA 0.147 58.144 58.000 -0.005 0.000 1.032 342 F CB 1.280 40.282 39.000 0.004 0.000 1.259 342 F HN 0.911 nan 8.300 nan 0.000 0.503 343 A N 0.233 123.185 122.820 0.220 0.000 2.346 343 A HA 0.166 4.486 4.320 0.000 0.000 0.255 343 A C 0.264 177.906 177.584 0.097 0.000 1.113 343 A CA -0.521 51.588 52.037 0.120 0.000 0.798 343 A CB -0.066 18.989 19.000 0.092 0.000 1.073 343 A HN 0.649 nan 8.150 nan 0.000 0.502 344 E N -0.215 120.018 120.200 0.055 0.000 2.558 344 E HA 0.205 4.555 4.350 0.000 0.000 0.255 344 E C 1.320 177.920 176.600 0.001 0.000 0.968 344 E CA 1.592 58.010 56.400 0.029 0.000 0.939 344 E CB 0.217 29.926 29.700 0.015 0.000 0.921 344 E HN 1.379 nan 8.360 nan 0.000 0.477 345 G N 2.374 111.171 108.800 -0.005 0.000 2.189 345 G HA2 -0.298 3.662 3.960 0.000 0.000 0.267 345 G HA3 -0.298 3.662 3.960 0.000 0.000 0.267 345 G C 0.380 175.229 174.900 -0.084 0.000 0.975 345 G CA 0.435 45.506 45.100 -0.048 0.000 0.644 345 G HN 0.408 nan 8.290 nan 0.000 0.537 346 V N 2.003 121.897 119.914 -0.033 0.000 2.498 346 V HA 0.643 4.763 4.120 0.000 0.000 0.279 346 V C 1.067 177.111 176.094 -0.084 0.000 1.048 346 V CA 0.312 62.573 62.300 -0.065 0.000 0.967 346 V CB 1.312 33.150 31.823 0.024 0.000 0.988 346 V HN 0.691 nan 8.190 nan 0.000 0.473 350 H N 0.581 119.533 119.070 -0.195 0.000 2.357 350 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 350 H C 2.435 177.653 175.328 -0.183 0.000 1.082 350 H CA 2.181 58.130 56.048 -0.164 0.000 1.342 350 H CB 0.201 29.868 29.762 -0.158 0.000 1.389 350 H HN 0.351 nan 8.280 nan 0.000 0.511 351 Q N 0.965 120.586 119.800 -0.298 0.000 2.084 351 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 351 Q C 2.722 178.597 176.000 -0.209 0.000 0.978 351 Q CA 1.356 56.980 55.803 -0.298 0.000 0.844 351 Q CB -0.438 28.003 28.738 -0.494 0.000 0.898 351 Q HN 0.526 nan 8.270 nan 0.000 0.426 352 L N -0.537 120.576 121.223 -0.183 0.000 2.046 352 L HA -0.199 4.141 4.340 0.000 0.000 0.208 352 L C 2.283 179.090 176.870 -0.104 0.000 1.077 352 L CA 1.002 55.784 54.840 -0.097 0.000 0.747 352 L CB -0.458 41.557 42.059 -0.074 0.000 0.896 352 L HN 0.292 nan 8.230 nan 0.000 0.432 353 L N -1.155 119.971 121.223 -0.163 0.000 2.046 353 L HA -0.198 4.142 4.340 0.000 0.000 0.208 353 L C 2.509 179.284 176.870 -0.157 0.000 1.077 353 L CA 0.840 55.589 54.840 -0.152 0.000 0.747 353 L CB -0.516 41.432 42.059 -0.185 0.000 0.896 353 L HN 0.078 nan 8.230 nan 0.000 0.432 354 V N -0.682 119.084 119.914 -0.247 0.000 2.343 354 V HA -0.256 3.864 4.120 0.000 0.000 0.247 354 V C 2.587 178.645 176.094 -0.060 0.000 1.051 354 V CA 1.416 63.621 62.300 -0.158 0.000 1.036 354 V CB -0.482 31.233 31.823 -0.182 0.000 0.654 354 V HN 0.467 nan 8.190 nan 0.000 0.451 355 Q N -0.231 119.541 119.800 -0.047 0.000 2.050 355 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 355 Q C 2.300 178.309 176.000 0.016 0.000 0.980 355 Q CA 1.631 57.439 55.803 0.009 0.000 0.840 355 Q CB -0.586 28.174 28.738 0.036 0.000 0.898 355 Q HN 0.540 nan 8.270 nan 0.000 0.424 356 L N 0.737 121.960 121.223 0.001 0.000 2.046 356 L HA -0.208 4.132 4.340 0.000 0.000 0.208 356 L C 2.331 179.212 176.870 0.019 0.000 1.077 356 L CA 1.258 56.107 54.840 0.015 0.000 0.747 356 L CB -0.429 41.632 42.059 0.002 0.000 0.896 356 L HN 0.292 nan 8.230 nan 0.000 0.432 357 E N -0.334 119.869 120.200 0.005 0.000 2.077 357 E HA -0.175 4.175 4.350 0.000 0.000 0.193 357 E C 2.316 178.924 176.600 0.014 0.000 0.989 357 E CA 1.493 57.903 56.400 0.018 0.000 0.800 357 E CB -0.097 29.618 29.700 0.024 0.000 0.746 357 E HN 0.384 nan 8.360 nan 0.000 0.452 358 S N 1.032 116.731 115.700 -0.002 0.000 2.368 358 S HA -0.142 4.328 4.470 0.000 0.000 0.225 358 S C 2.081 176.689 174.600 0.013 0.000 1.030 358 S CA 0.866 59.054 58.200 -0.020 0.000 0.999 358 S CB -0.202 62.983 63.200 -0.024 0.000 0.844 358 S HN 0.191 nan 8.310 nan 0.000 0.459 359 I N 1.669 122.264 120.570 0.042 0.000 2.179 359 I HA -0.228 3.942 4.170 0.000 0.000 0.242 359 I C 2.747 178.913 176.117 0.081 0.000 1.088 359 I CA 1.167 62.510 61.300 0.072 0.000 1.357 359 I CB -0.548 37.501 38.000 0.083 0.000 1.051 359 I HN 0.273 nan 8.210 nan 0.000 0.409 360 A N 1.031 123.893 122.820 0.070 0.000 1.883 360 A HA -0.195 4.126 4.320 0.000 0.000 0.217 360 A C 2.310 179.955 177.584 0.102 0.000 1.186 360 A CA 1.622 53.706 52.037 0.080 0.000 0.624 360 A CB -0.885 18.153 19.000 0.064 0.000 0.822 360 A HN 0.391 nan 8.150 nan 0.000 0.444 361 I N -0.563 120.064 120.570 0.095 0.000 2.226 361 I HA -0.227 3.943 4.170 0.000 0.000 0.245 361 I C 2.595 178.819 176.117 0.178 0.000 1.100 361 I CA 1.783 63.167 61.300 0.140 0.000 1.374 361 I CB -0.679 37.372 38.000 0.085 0.000 1.057 361 I HN 0.273 nan 8.210 nan 0.000 0.413 362 T N 1.248 115.864 114.554 0.104 0.000 2.708 362 T HA -0.125 4.225 4.350 0.000 0.000 0.266 362 T C 1.928 176.748 174.700 0.199 0.000 1.037 362 T CA 1.368 63.535 62.100 0.112 0.000 1.146 362 T CB -0.258 68.645 68.868 0.058 0.000 0.865 362 T HN 0.231 nan 8.240 nan 0.000 0.435 363 I N 0.767 121.441 120.570 0.173 0.000 2.179 363 I HA -0.167 4.003 4.170 0.000 0.000 0.242 363 I C 2.483 178.712 176.117 0.186 0.000 1.088 363 I CA 1.077 62.482 61.300 0.176 0.000 1.357 363 I CB -0.479 37.603 38.000 0.137 0.000 1.051 363 I HN 0.099 nan 8.210 nan 0.000 0.409 364 V N 0.144 120.162 119.914 0.173 0.000 2.307 364 V HA -0.275 3.845 4.120 0.000 0.000 0.245 364 V C 2.124 178.331 176.094 0.188 0.000 1.045 364 V CA 1.694 64.081 62.300 0.146 0.000 1.024 364 V CB -0.722 31.170 31.823 0.115 0.000 0.651 364 V HN 0.601 nan 8.190 nan 0.000 0.449 365 W N 0.773 122.114 121.300 0.068 0.000 2.333 365 W HA -0.235 4.425 4.660 0.000 0.000 0.316 365 W C 2.916 179.492 176.519 0.095 0.000 1.215 365 W CA 2.466 59.846 57.345 0.059 0.000 1.278 365 W CB -0.670 28.813 29.460 0.038 0.000 1.154 365 W HN 0.362 nan 8.180 nan 0.000 0.486 366 S N 0.168 116.163 115.700 0.491 0.000 2.368 366 S HA -0.096 4.374 4.470 0.000 0.000 0.225 366 S C 2.073 176.954 174.600 0.469 0.000 1.030 366 S CA 2.070 60.587 58.200 0.528 0.000 0.999 366 S CB -0.929 62.607 63.200 0.561 0.000 0.844 366 S HN 0.295 nan 8.310 nan 0.000 0.459 367 G N 0.841 109.833 108.800 0.321 0.000 2.446 367 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 367 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 367 G C 1.500 176.555 174.900 0.258 0.000 1.168 367 G CA 1.142 46.398 45.100 0.260 0.000 0.771 367 G HN 0.466 nan 8.290 nan 0.000 0.551 368 V N 0.418 120.427 119.914 0.158 0.000 2.295 368 V HA -0.168 3.952 4.120 0.000 0.000 0.246 368 V C 3.057 179.259 176.094 0.180 0.000 1.049 368 V CA 1.569 63.934 62.300 0.107 0.000 1.024 368 V CB -0.399 31.389 31.823 -0.059 0.000 0.648 368 V HN 0.247 nan 8.190 nan 0.000 0.447 369 V N 0.272 120.262 119.914 0.127 0.000 2.343 369 V HA -0.249 3.871 4.120 0.000 0.000 0.247 369 V C 2.695 178.969 176.094 0.300 0.000 1.051 369 V CA 1.967 64.347 62.300 0.133 0.000 1.036 369 V CB -1.158 30.701 31.823 0.061 0.000 0.654 369 V HN 0.559 nan 8.190 nan 0.000 0.451 370 A N -0.350 122.770 122.820 0.500 0.000 1.902 370 A HA -0.253 4.067 4.320 0.000 0.000 0.217 370 A C 2.115 179.975 177.584 0.460 0.000 1.181 370 A CA 2.071 54.428 52.037 0.532 0.000 0.623 370 A CB -0.749 18.567 19.000 0.528 0.000 0.818 370 A HN 0.513 nan 8.150 nan 0.000 0.443 371 F N 0.773 120.924 119.950 0.334 0.000 2.069 371 F HA -0.209 4.318 4.527 0.000 0.000 0.298 371 F C 2.013 177.956 175.800 0.238 0.000 1.113 371 F CA 1.928 60.114 58.000 0.310 0.000 1.214 371 F CB -0.320 38.796 39.000 0.193 0.000 0.978 371 F HN 0.195 nan 8.300 nan 0.000 0.474 372 I N 0.071 120.774 120.570 0.221 0.000 2.208 372 I HA -0.269 3.901 4.170 0.000 0.000 0.245 372 I C 2.742 178.870 176.117 0.018 0.000 1.097 372 I CA 1.434 62.772 61.300 0.063 0.000 1.363 372 I CB -1.375 36.675 38.000 0.084 0.000 1.051 372 I HN 0.334 nan 8.210 nan 0.000 0.413 373 G N 0.129 108.969 108.800 0.066 0.000 2.421 373 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 373 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 373 G C 1.444 176.439 174.900 0.158 0.000 1.171 373 G CA 0.699 45.832 45.100 0.055 0.000 0.775 373 G HN 0.249 nan 8.290 nan 0.000 0.543 374 Y N 1.154 121.615 120.300 0.268 0.000 2.181 374 Y HA -0.017 4.533 4.550 0.000 0.000 0.288 374 Y C 2.859 178.713 175.900 -0.077 0.000 1.146 374 Y CA 1.192 59.318 58.100 0.044 0.000 1.164 374 Y CB -0.100 38.307 38.460 -0.088 0.000 0.982 374 Y HN 0.007 nan 8.280 nan 0.000 0.515 375 K N -0.103 120.268 120.400 -0.049 0.000 2.057 375 K HA -0.149 4.171 4.320 0.000 0.000 0.207 375 K C 2.160 178.729 176.600 -0.052 0.000 1.049 375 K CA 0.906 57.102 56.287 -0.151 0.000 0.931 375 K CB -0.987 31.297 32.500 -0.359 0.000 0.714 375 K HN 0.281 nan 8.250 nan 0.000 0.440 376 L N 1.192 122.401 121.223 -0.022 0.000 2.046 376 L HA -0.118 4.222 4.340 0.000 0.000 0.208 376 L C 2.172 179.057 176.870 0.025 0.000 1.077 376 L CA 2.033 56.873 54.840 0.000 0.000 0.747 376 L CB -0.834 41.227 42.059 0.004 0.000 0.896 376 L HN 0.146 nan 8.230 nan 0.000 0.432 377 A N -0.986 121.869 122.820 0.058 0.000 1.902 377 A HA -0.250 4.070 4.320 0.000 0.000 0.217 377 A C 2.126 179.740 177.584 0.049 0.000 1.181 377 A CA 1.831 53.913 52.037 0.074 0.000 0.623 377 A CB -0.943 18.135 19.000 0.130 0.000 0.818 377 A HN 0.545 nan 8.150 nan 0.000 0.443 378 D N -0.023 120.399 120.400 0.036 0.000 2.097 378 D HA -0.101 4.539 4.640 0.000 0.000 0.195 378 D C 1.880 178.182 176.300 0.003 0.000 0.989 378 D CA 1.172 55.178 54.000 0.010 0.000 0.827 378 D CB -0.253 40.538 40.800 -0.015 0.000 0.966 378 D HN 0.407 nan 8.370 nan 0.000 0.456 379 L N 0.054 121.276 121.223 -0.003 0.000 2.131 379 L HA -0.125 4.215 4.340 0.000 0.000 0.210 379 L C 2.516 179.390 176.870 0.006 0.000 1.092 379 L CA 1.588 56.426 54.840 -0.003 0.000 0.759 379 L CB -0.644 41.411 42.059 -0.007 0.000 0.903 379 L HN 0.220 nan 8.230 nan 0.000 0.435 380 T N -3.211 111.351 114.554 0.013 0.000 2.837 380 T HA -0.037 4.313 4.350 0.000 0.000 0.248 380 T C 1.442 176.155 174.700 0.023 0.000 1.033 380 T CA 1.109 63.219 62.100 0.018 0.000 1.150 380 T CB -0.289 68.594 68.868 0.023 0.000 0.865 380 T HN 0.203 nan 8.240 nan 0.000 0.425 381 V N -2.494 117.438 119.914 0.030 0.000 3.548 381 V HA 0.690 4.810 4.120 0.000 0.000 0.279 381 V C 0.907 177.019 176.094 0.029 0.000 1.446 381 V CA 0.082 62.403 62.300 0.034 0.000 1.023 381 V CB -0.474 31.379 31.823 0.051 0.000 0.820 381 V HN 1.072 nan 8.190 nan 0.000 0.438 382 G N 0.416 109.230 108.800 0.024 0.000 3.209 382 G HA2 -0.115 3.845 3.960 0.000 0.000 0.686 382 G HA3 -0.115 3.845 3.960 0.000 0.000 0.686 382 G C -0.338 174.573 174.900 0.019 0.000 1.065 382 G CA -0.028 45.081 45.100 0.014 0.000 0.812 382 G HN 0.302 nan 8.290 nan 0.000 0.573 383 L N 1.658 122.884 121.223 0.005 0.000 2.013 383 L HA 0.195 4.535 4.340 0.000 0.000 0.204 383 L C 2.207 179.065 176.870 -0.020 0.000 1.081 383 L CA 0.824 55.664 54.840 -0.000 0.000 0.751 383 L CB -0.168 41.876 42.059 -0.025 0.000 0.901 383 L HN 0.694 nan 8.230 nan 0.000 0.440 384 R N 0.484 120.961 120.500 -0.039 0.000 2.570 384 R HA 0.095 4.435 4.340 0.000 0.000 0.277 384 R C -0.284 176.001 176.300 -0.025 0.000 1.039 384 R CA -0.311 55.762 56.100 -0.045 0.000 1.065 384 R CB 0.661 30.927 30.300 -0.056 0.000 0.964 384 R HN -0.053 nan 8.270 nan 0.000 0.428 385 V N 0.000 119.899 119.914 -0.025 0.000 2.409 385 V HA 0.000 4.120 4.120 0.000 0.000 0.244 385 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 385 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 385 V HN 0.000 nan 8.190 nan 0.000 0.556