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 3lss_1_A DATA FIRST_RESID -2 DATA SEQUENCE GSMMVLDIQL FRDETGANII RESQRRRFAD PDIVDAIIEA DKKWRRTQFL DATA SEQUENCE TEASKKLINI CSKAVGAKKK AKEAXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXCVLQLKQL SKDLSDQVAG LAKEAQQLEE ERDKLMLNVG NILHESVPIA DATA SEQUENCE QDEETGNTVV RTFGNTTKRA KLNHVSIMER LGMMDTSKAV TSMAGGRSYV DATA SEQUENCE LKGGLVQLQV ALVSYSLDFL VKRGYTPFYP PFFLNRDVMG EVAQLSQFDE DATA SEQUENCE ELYQVSGDGD KKYLIATSEM PIAAYHRGRW FTELKEPLKY AGMSTCFRKE DATA SEQUENCE AGAHGRDTLG IFRVHQFDKI EQFVVCSPRQ EESWRHLEDM ITTSEEFNKS DATA SEQUENCE LGLPYRVVNI CSGALNNAAA KKYDLEAWFP ASGAFRELVS CSNCTDYQSQ DATA SEQUENCE SVNCRYGPNL RXXXXQNVKE YCHMLNGTLC AITRTMCCIC ENYQTEEGVV DATA SEQUENCE IPDVLRPYMM GIEMIRFENN 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 -2 G C 0.000 174.868 174.900 -0.054 0.000 0.946 -2 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 -1 S N 1.426 117.103 115.700 -0.038 0.000 2.558 -1 S HA 0.504 4.974 4.470 -0.001 0.000 0.288 -1 S C 0.168 174.766 174.600 -0.003 0.000 1.318 -1 S CA 0.833 59.023 58.200 -0.017 0.000 1.056 -1 S CB 0.273 63.479 63.200 0.011 0.000 0.853 -1 S HN 1.253 nan 8.310 nan 0.000 0.505 0 M N 1.423 121.023 119.600 -0.001 0.000 2.414 0 M HA 0.412 4.891 4.480 -0.001 0.000 0.287 0 M C -1.170 175.126 176.300 -0.008 0.000 1.181 0 M CA -0.750 54.565 55.300 0.025 0.000 0.933 0 M CB 2.160 34.768 32.600 0.012 0.000 1.732 0 M HN 0.679 nan 8.290 nan 0.000 0.486 1 M N 4.503 124.115 119.600 0.020 0.000 2.108 1 M HA 0.603 5.083 4.480 -0.001 0.000 0.347 1 M C -1.312 174.948 176.300 -0.068 0.000 1.326 1 M CA -0.452 54.830 55.300 -0.029 0.000 1.126 1 M CB 0.471 33.104 32.600 0.055 0.000 1.606 1 M HN 0.716 nan 8.290 nan 0.000 0.462 2 V N 2.945 122.703 119.914 -0.260 0.000 3.167 2 V HA 0.603 4.722 4.120 -0.001 0.000 0.310 2 V C -0.733 174.977 176.094 -0.640 0.000 1.207 2 V CA -1.372 60.745 62.300 -0.305 0.000 1.059 2 V CB 1.534 33.277 31.823 -0.133 0.000 1.079 2 V HN 0.821 nan 8.190 nan 0.000 0.446 3 L N 1.779 122.757 121.223 -0.408 0.000 2.483 3 L HA 0.345 4.684 4.340 -0.001 0.000 0.275 3 L C 0.417 177.212 176.870 -0.125 0.000 1.220 3 L CA 0.740 55.434 54.840 -0.243 0.000 0.833 3 L CB 0.037 42.205 42.059 0.182 0.000 1.102 3 L HN 1.016 nan 8.230 nan 0.000 0.490 4 D N 2.623 122.962 120.400 -0.101 0.000 2.487 4 D HA -0.094 4.546 4.640 -0.001 0.000 0.243 4 D C 1.077 177.448 176.300 0.119 0.000 1.154 4 D CA 0.206 54.169 54.000 -0.061 0.000 0.876 4 D CB 0.576 41.340 40.800 -0.059 0.000 1.161 4 D HN 0.518 nan 8.370 nan 0.000 0.478 5 I N 3.640 124.232 120.570 0.038 0.000 2.493 5 I HA -0.219 3.951 4.170 -0.001 0.000 0.254 5 I C 1.968 178.218 176.117 0.222 0.000 1.160 5 I CA 1.387 62.731 61.300 0.073 0.000 1.445 5 I CB -0.223 37.705 38.000 -0.121 0.000 1.086 5 I HN 0.533 nan 8.210 nan 0.000 0.433 6 Q N -0.583 119.312 119.800 0.159 0.000 2.181 6 Q HA -0.238 4.101 4.340 -0.001 0.000 0.205 6 Q C 2.158 178.250 176.000 0.153 0.000 0.980 6 Q CA 1.609 57.504 55.803 0.152 0.000 0.862 6 Q CB -0.364 28.460 28.738 0.144 0.000 0.905 6 Q HN 0.448 nan 8.270 nan 0.000 0.429 7 L N -0.473 120.839 121.223 0.148 0.000 2.217 7 L HA -0.072 4.268 4.340 -0.001 0.000 0.211 7 L C 1.512 178.366 176.870 -0.027 0.000 1.107 7 L CA 1.431 56.285 54.840 0.023 0.000 0.783 7 L CB -0.179 41.834 42.059 -0.076 0.000 0.919 7 L HN 0.091 nan 8.230 nan 0.000 0.442 8 F N -0.590 119.368 119.950 0.013 0.000 2.407 8 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 8 F C 1.980 177.792 175.800 0.020 0.000 1.097 8 F CA 0.525 58.532 58.000 0.012 0.000 1.422 8 F CB -0.192 38.810 39.000 0.002 0.000 1.067 8 F HN -0.067 nan 8.300 nan 0.000 0.539 9 R N 0.005 120.623 120.500 0.196 0.000 2.363 9 R HA 0.073 4.412 4.340 -0.001 0.000 0.236 9 R C -0.630 175.723 176.300 0.089 0.000 0.966 9 R CA 0.084 56.266 56.100 0.136 0.000 1.100 9 R CB -0.313 30.063 30.300 0.127 0.000 1.125 9 R HN 0.143 nan 8.270 nan 0.000 0.514 10 D N -0.738 119.704 120.400 0.070 0.000 2.964 10 D HA 0.003 4.643 4.640 -0.001 0.000 0.234 10 D C 0.519 176.834 176.300 0.025 0.000 1.223 10 D CA -0.586 53.439 54.000 0.042 0.000 0.889 10 D CB 1.521 42.342 40.800 0.035 0.000 1.609 10 D HN -0.040 nan 8.370 nan 0.000 0.523 11 E N 1.581 121.793 120.200 0.020 0.000 2.070 11 E HA -0.241 4.109 4.350 -0.001 0.000 0.197 11 E C 0.950 177.545 176.600 -0.007 0.000 1.004 11 E CA 1.969 58.374 56.400 0.009 0.000 0.805 11 E CB 0.155 29.860 29.700 0.008 0.000 0.744 11 E HN 0.594 nan 8.360 nan 0.000 0.451 12 T N -0.483 114.066 114.554 -0.008 0.000 2.821 12 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 12 T C 1.653 176.331 174.700 -0.036 0.000 1.046 12 T CA 1.087 63.175 62.100 -0.019 0.000 1.139 12 T CB -0.419 68.442 68.868 -0.011 0.000 0.871 12 T HN 0.419 nan 8.240 nan 0.000 0.454 13 G N 0.914 109.692 108.800 -0.037 0.000 2.403 13 G HA2 0.059 4.018 3.960 -0.001 0.000 0.216 13 G HA3 0.059 4.018 3.960 -0.001 0.000 0.216 13 G C 1.816 176.633 174.900 -0.138 0.000 1.154 13 G CA 0.740 45.795 45.100 -0.075 0.000 0.784 13 G HN 0.556 nan 8.290 nan 0.000 0.538 14 A N 1.373 124.132 122.820 -0.101 0.000 1.902 14 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 14 A C 2.261 179.785 177.584 -0.101 0.000 1.181 14 A CA 1.841 53.809 52.037 -0.116 0.000 0.623 14 A CB -0.415 18.578 19.000 -0.012 0.000 0.818 14 A HN 0.328 nan 8.150 nan 0.000 0.443 15 N N 0.125 118.784 118.700 -0.067 0.000 2.188 15 N HA -0.074 4.666 4.740 -0.001 0.000 0.184 15 N C 1.579 177.043 175.510 -0.077 0.000 1.018 15 N CA 1.319 54.333 53.050 -0.060 0.000 0.858 15 N CB -0.455 38.007 38.487 -0.042 0.000 0.989 15 N HN 0.574 nan 8.380 nan 0.000 0.426 16 I N 0.796 121.313 120.570 -0.089 0.000 2.226 16 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 16 I C 1.858 177.906 176.117 -0.115 0.000 1.100 16 I CA 0.977 62.221 61.300 -0.093 0.000 1.374 16 I CB -0.155 37.795 38.000 -0.084 0.000 1.057 16 I HN 0.047 nan 8.210 nan 0.000 0.413 17 I N 0.071 120.539 120.570 -0.170 0.000 2.252 17 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 17 I C 2.675 178.721 176.117 -0.118 0.000 1.102 17 I CA 1.172 62.354 61.300 -0.197 0.000 1.385 17 I CB -0.406 37.346 38.000 -0.414 0.000 1.064 17 I HN 0.102 nan 8.210 nan 0.000 0.414 18 R N 0.546 120.989 120.500 -0.095 0.000 2.073 18 R HA -0.218 4.121 4.340 -0.001 0.000 0.234 18 R C 2.274 178.535 176.300 -0.065 0.000 1.134 18 R CA 1.718 57.784 56.100 -0.057 0.000 0.952 18 R CB -0.403 29.873 30.300 -0.041 0.000 0.850 18 R HN 0.434 nan 8.270 nan 0.000 0.433 19 E N 0.362 120.517 120.200 -0.075 0.000 2.058 19 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 19 E C 1.982 178.526 176.600 -0.093 0.000 0.997 19 E CA 1.586 57.935 56.400 -0.084 0.000 0.801 19 E CB -0.059 29.591 29.700 -0.082 0.000 0.746 19 E HN 0.151 nan 8.360 nan 0.000 0.450 20 S N -0.333 115.316 115.700 -0.085 0.000 2.382 20 S HA -0.184 4.285 4.470 -0.001 0.000 0.228 20 S C 2.002 176.560 174.600 -0.069 0.000 1.027 20 S CA 1.166 59.320 58.200 -0.077 0.000 0.991 20 S CB -0.151 63.013 63.200 -0.061 0.000 0.823 20 S HN 0.279 nan 8.310 nan 0.000 0.469 21 Q N 0.921 120.687 119.800 -0.057 0.000 2.061 21 Q HA -0.070 4.270 4.340 -0.001 0.000 0.204 21 Q C 2.448 178.404 176.000 -0.074 0.000 0.984 21 Q CA 1.389 57.170 55.803 -0.037 0.000 0.846 21 Q CB -0.457 28.274 28.738 -0.012 0.000 0.902 21 Q HN 0.606 nan 8.270 nan 0.000 0.421 22 R N 0.267 120.704 120.500 -0.106 0.000 2.081 22 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 22 R C 2.335 178.443 176.300 -0.321 0.000 1.131 22 R CA 1.120 57.117 56.100 -0.172 0.000 0.960 22 R CB -0.225 29.988 30.300 -0.146 0.000 0.856 22 R HN 0.208 nan 8.270 nan 0.000 0.436 23 R N 0.191 120.534 120.500 -0.262 0.000 2.189 23 R HA -0.029 4.310 4.340 -0.001 0.000 0.223 23 R C 1.947 178.080 176.300 -0.279 0.000 1.092 23 R CA 0.825 56.738 56.100 -0.312 0.000 0.989 23 R CB -0.070 30.123 30.300 -0.179 0.000 0.876 23 R HN 0.153 nan 8.270 nan 0.000 0.457 24 R N -0.161 120.255 120.500 -0.139 0.000 2.313 24 R HA 0.039 4.379 4.340 -0.001 0.000 0.199 24 R C -0.339 176.080 176.300 0.198 0.000 0.958 24 R CA 0.054 56.174 56.100 0.034 0.000 1.047 24 R CB 0.105 30.423 30.300 0.030 0.000 0.955 24 R HN 0.095 nan 8.270 nan 0.000 0.481 25 F N -1.095 118.849 119.950 -0.011 0.000 3.080 25 F HA -0.307 4.220 4.527 -0.001 0.000 0.292 25 F C 0.306 176.105 175.800 -0.003 0.000 0.891 25 F CA 0.446 58.441 58.000 -0.007 0.000 1.086 25 F CB -1.952 37.044 39.000 -0.008 0.000 1.095 25 F HN 0.093 nan 8.300 nan 0.000 0.633 26 A N -0.780 122.092 122.820 0.086 0.000 2.309 26 A HA 0.668 4.988 4.320 -0.001 0.000 0.317 26 A C -0.432 177.176 177.584 0.039 0.000 1.134 26 A CA -0.485 51.593 52.037 0.068 0.000 0.866 26 A CB 0.833 19.866 19.000 0.054 0.000 1.329 26 A HN 0.088 nan 8.150 nan 0.000 0.477 27 D N 0.348 120.773 120.400 0.042 0.000 2.336 27 D HA 0.341 4.980 4.640 -0.001 0.000 0.249 27 D C -1.436 174.882 176.300 0.030 0.000 1.213 27 D CA -1.673 52.348 54.000 0.034 0.000 0.870 27 D CB 1.120 41.942 40.800 0.037 0.000 1.076 27 D HN 0.129 nan 8.370 nan 0.000 0.483 28 P HA -0.044 nan 4.420 nan 0.000 0.222 28 P C 0.482 177.800 177.300 0.031 0.000 1.153 28 P CA 0.436 63.544 63.100 0.014 0.000 0.798 28 P CB 0.507 32.202 31.700 -0.009 0.000 0.796 29 D N 0.035 120.452 120.400 0.028 0.000 2.265 29 D HA -0.114 4.525 4.640 -0.001 0.000 0.208 29 D C 1.871 178.198 176.300 0.045 0.000 0.977 29 D CA 0.580 54.599 54.000 0.032 0.000 0.871 29 D CB -0.790 40.025 40.800 0.025 0.000 0.925 29 D HN 0.228 nan 8.370 nan 0.000 0.485 30 I N 0.096 120.698 120.570 0.054 0.000 2.614 30 I HA -0.207 3.963 4.170 -0.001 0.000 0.258 30 I C 1.773 177.951 176.117 0.102 0.000 1.189 30 I CA 0.450 61.788 61.300 0.064 0.000 1.462 30 I CB 0.283 38.323 38.000 0.066 0.000 1.092 30 I HN -0.136 nan 8.210 nan 0.000 0.442 31 V N 0.742 120.740 119.914 0.141 0.000 2.343 31 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 31 V C 2.037 178.236 176.094 0.174 0.000 1.051 31 V CA 1.980 64.424 62.300 0.240 0.000 1.036 31 V CB -0.728 31.200 31.823 0.175 0.000 0.654 31 V HN 0.428 nan 8.190 nan 0.000 0.451 32 D N 0.562 121.022 120.400 0.099 0.000 2.097 32 D HA -0.126 4.514 4.640 -0.001 0.000 0.195 32 D C 2.261 178.591 176.300 0.051 0.000 0.989 32 D CA 1.702 55.744 54.000 0.070 0.000 0.827 32 D CB -0.370 40.458 40.800 0.047 0.000 0.966 32 D HN 0.433 nan 8.370 nan 0.000 0.456 33 A N 0.582 123.425 122.820 0.038 0.000 1.940 33 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 33 A C 2.365 179.942 177.584 -0.011 0.000 1.176 33 A CA 0.948 52.994 52.037 0.015 0.000 0.631 33 A CB -0.664 18.343 19.000 0.011 0.000 0.814 33 A HN 0.216 nan 8.150 nan 0.000 0.446 34 I N -0.620 119.933 120.570 -0.028 0.000 2.286 34 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 34 I C 2.209 178.257 176.117 -0.116 0.000 1.104 34 I CA 0.984 62.197 61.300 -0.146 0.000 1.397 34 I CB -0.229 37.569 38.000 -0.336 0.000 1.072 34 I HN 0.284 nan 8.210 nan 0.000 0.417 35 I N 0.552 121.122 120.570 -0.000 0.000 2.226 35 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 35 I C 2.593 178.730 176.117 0.032 0.000 1.100 35 I CA 1.261 62.588 61.300 0.045 0.000 1.374 35 I CB -0.256 37.806 38.000 0.103 0.000 1.057 35 I HN 0.228 nan 8.210 nan 0.000 0.413 36 E N 1.517 121.733 120.200 0.026 0.000 2.047 36 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 36 E C 2.138 178.758 176.600 0.033 0.000 0.987 36 E CA 1.747 58.165 56.400 0.030 0.000 0.799 36 E CB -0.254 29.460 29.700 0.025 0.000 0.752 36 E HN 0.376 nan 8.360 nan 0.000 0.449 37 A N 0.579 123.408 122.820 0.014 0.000 1.908 37 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 37 A C 2.139 179.764 177.584 0.068 0.000 1.181 37 A CA 2.136 54.187 52.037 0.024 0.000 0.627 37 A CB -1.011 17.976 19.000 -0.022 0.000 0.818 37 A HN 0.438 nan 8.150 nan 0.000 0.445 38 D N -0.775 119.645 120.400 0.032 0.000 2.144 38 D HA -0.162 4.478 4.640 -0.001 0.000 0.200 38 D C 1.946 178.362 176.300 0.194 0.000 0.978 38 D CA 1.583 55.639 54.000 0.095 0.000 0.833 38 D CB -0.134 40.665 40.800 -0.002 0.000 0.961 38 D HN 0.487 nan 8.370 nan 0.000 0.470 39 K N 0.163 120.633 120.400 0.117 0.000 2.057 39 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 39 K C 1.954 178.613 176.600 0.098 0.000 1.049 39 K CA 1.145 57.491 56.287 0.098 0.000 0.931 39 K CB 0.075 32.610 32.500 0.058 0.000 0.714 39 K HN 0.024 nan 8.250 nan 0.000 0.440 40 K N -0.548 119.914 120.400 0.104 0.000 2.057 40 K HA -0.186 4.134 4.320 -0.001 0.000 0.206 40 K C 1.778 178.451 176.600 0.121 0.000 1.050 40 K CA 1.686 58.028 56.287 0.091 0.000 0.935 40 K CB -0.318 32.232 32.500 0.084 0.000 0.715 40 K HN 0.300 nan 8.250 nan 0.000 0.439 41 W N 2.112 123.415 121.300 0.005 0.000 2.355 41 W HA -0.164 4.495 4.660 -0.001 0.000 0.309 41 W C 1.823 178.359 176.519 0.029 0.000 1.206 41 W CA 1.432 58.783 57.345 0.010 0.000 1.284 41 W CB 0.013 29.470 29.460 -0.005 0.000 1.145 41 W HN -0.104 nan 8.180 nan 0.000 0.502 42 R N -0.225 120.360 120.500 0.141 0.000 2.096 42 R HA -0.191 4.149 4.340 -0.001 0.000 0.235 42 R C 2.233 178.472 176.300 -0.103 0.000 1.127 42 R CA 1.632 57.703 56.100 -0.049 0.000 0.968 42 R CB -0.543 29.838 30.300 0.134 0.000 0.861 42 R HN 0.021 nan 8.270 nan 0.000 0.440 43 R N 1.005 121.485 120.500 -0.032 0.000 2.091 43 R HA -0.133 4.207 4.340 -0.001 0.000 0.238 43 R C 2.239 178.536 176.300 -0.005 0.000 1.136 43 R CA 2.483 58.589 56.100 0.010 0.000 0.959 43 R CB -0.959 29.348 30.300 0.011 0.000 0.856 43 R HN 0.383 nan 8.270 nan 0.000 0.437 44 T N -1.560 112.922 114.554 -0.120 0.000 2.788 44 T HA -0.131 4.219 4.350 -0.001 0.000 0.268 44 T C 1.659 176.221 174.700 -0.230 0.000 1.044 44 T CA 1.030 63.033 62.100 -0.161 0.000 1.139 44 T CB -0.265 68.480 68.868 -0.204 0.000 0.867 44 T HN 0.195 nan 8.240 nan 0.000 0.454 45 Q N 0.036 119.602 119.800 -0.390 0.000 2.123 45 Q HA 0.108 4.448 4.340 -0.001 0.000 0.199 45 Q C 1.995 177.898 176.000 -0.162 0.000 0.966 45 Q CA 0.953 56.530 55.803 -0.377 0.000 0.845 45 Q CB -0.693 27.660 28.738 -0.642 0.000 0.907 45 Q HN 0.702 nan 8.270 nan 0.000 0.439 46 F N 1.286 121.118 119.950 -0.197 0.000 2.102 46 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 46 F C 1.916 177.661 175.800 -0.092 0.000 1.105 46 F CA 1.113 59.045 58.000 -0.114 0.000 1.239 46 F CB -0.245 38.705 39.000 -0.082 0.000 0.991 46 F HN -0.039 nan 8.300 nan 0.000 0.474 47 L N -0.395 120.745 121.223 -0.139 0.000 2.093 47 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 47 L C 2.374 179.110 176.870 -0.224 0.000 1.085 47 L CA 1.698 56.411 54.840 -0.212 0.000 0.755 47 L CB -1.072 40.965 42.059 -0.036 0.000 0.904 47 L HN 0.166 nan 8.230 nan 0.000 0.435 48 T N -0.765 113.681 114.554 -0.180 0.000 2.708 48 T HA -0.187 4.162 4.350 -0.001 0.000 0.266 48 T C 1.738 176.340 174.700 -0.163 0.000 1.037 48 T CA 1.364 63.374 62.100 -0.150 0.000 1.146 48 T CB -0.136 68.651 68.868 -0.136 0.000 0.865 48 T HN 0.383 nan 8.240 nan 0.000 0.435 49 E N 0.924 121.007 120.200 -0.195 0.000 2.077 49 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 49 E C 2.543 179.016 176.600 -0.213 0.000 0.989 49 E CA 0.953 57.247 56.400 -0.176 0.000 0.800 49 E CB -0.206 29.401 29.700 -0.156 0.000 0.746 49 E HN 0.469 nan 8.360 nan 0.000 0.452 50 A N 0.964 123.581 122.820 -0.338 0.000 1.858 50 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 50 A C 2.363 179.833 177.584 -0.190 0.000 1.190 50 A CA 1.733 53.579 52.037 -0.319 0.000 0.617 50 A CB -0.560 18.147 19.000 -0.489 0.000 0.827 50 A HN 0.122 nan 8.150 nan 0.000 0.443 51 S N -0.380 115.218 115.700 -0.170 0.000 2.399 51 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 51 S C 1.897 176.446 174.600 -0.085 0.000 1.022 51 S CA 1.520 59.655 58.200 -0.109 0.000 0.983 51 S CB -0.209 62.936 63.200 -0.093 0.000 0.803 51 S HN 0.589 nan 8.310 nan 0.000 0.480 52 K N 1.217 121.563 120.400 -0.089 0.000 2.057 52 K HA -0.025 4.295 4.320 -0.001 0.000 0.207 52 K C 2.150 178.714 176.600 -0.059 0.000 1.049 52 K CA 0.968 57.215 56.287 -0.066 0.000 0.931 52 K CB -0.074 32.388 32.500 -0.063 0.000 0.714 52 K HN 0.213 nan 8.250 nan 0.000 0.440 53 K N 0.579 120.936 120.400 -0.071 0.000 2.097 53 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 53 K C 1.959 178.529 176.600 -0.050 0.000 1.049 53 K CA 1.080 57.332 56.287 -0.058 0.000 0.933 53 K CB -0.110 32.350 32.500 -0.067 0.000 0.717 53 K HN 0.027 nan 8.250 nan 0.000 0.442 54 L N 0.698 121.886 121.223 -0.057 0.000 2.291 54 L HA -0.099 4.241 4.340 -0.001 0.000 0.214 54 L C 2.016 178.864 176.870 -0.036 0.000 1.120 54 L CA 0.974 55.786 54.840 -0.046 0.000 0.799 54 L CB -0.185 41.844 42.059 -0.050 0.000 0.925 54 L HN 0.125 nan 8.230 nan 0.000 0.446 55 I N -0.588 119.959 120.570 -0.038 0.000 2.353 55 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 55 I C 1.905 178.007 176.117 -0.025 0.000 1.119 55 I CA 0.903 62.185 61.300 -0.030 0.000 1.417 55 I CB -0.235 37.746 38.000 -0.030 0.000 1.078 55 I HN 0.302 nan 8.210 nan 0.000 0.421 56 N N 0.984 119.668 118.700 -0.026 0.000 2.188 56 N HA -0.094 4.645 4.740 -0.001 0.000 0.184 56 N C 1.834 177.333 175.510 -0.019 0.000 1.018 56 N CA 1.177 54.215 53.050 -0.021 0.000 0.858 56 N CB -0.276 38.198 38.487 -0.021 0.000 0.989 56 N HN 0.283 nan 8.380 nan 0.000 0.426 57 I N -0.008 120.549 120.570 -0.021 0.000 2.208 57 I HA -0.343 3.826 4.170 -0.001 0.000 0.245 57 I C 1.759 177.867 176.117 -0.016 0.000 1.097 57 I CA 0.864 62.152 61.300 -0.018 0.000 1.363 57 I CB -0.280 37.708 38.000 -0.021 0.000 1.051 57 I HN 0.227 nan 8.210 nan 0.000 0.413 58 C N -0.208 119.082 119.300 -0.017 0.000 2.440 58 C HA -0.105 4.355 4.460 -0.001 0.000 0.278 58 C C 3.176 178.158 174.990 -0.013 0.000 1.295 58 C CA 1.033 60.042 59.018 -0.015 0.000 1.738 58 C CB -0.858 26.872 27.740 -0.016 0.000 1.987 58 C HN 0.486 nan 8.230 nan 0.000 0.492 59 S N 0.732 116.424 115.700 -0.013 0.000 2.345 59 S HA -0.122 4.347 4.470 -0.001 0.000 0.220 59 S C 2.003 176.596 174.600 -0.010 0.000 1.031 59 S CA 1.117 59.310 58.200 -0.012 0.000 0.996 59 S CB -0.167 63.026 63.200 -0.012 0.000 0.882 59 S HN 0.542 nan 8.310 nan 0.000 0.445 60 K N 2.064 122.457 120.400 -0.011 0.000 2.097 60 K HA 0.092 4.412 4.320 -0.001 0.000 0.206 60 K C 2.249 178.844 176.600 -0.009 0.000 1.049 60 K CA 1.211 57.492 56.287 -0.010 0.000 0.933 60 K CB -0.939 31.555 32.500 -0.010 0.000 0.717 60 K HN 0.358 nan 8.250 nan 0.000 0.442 61 A N 1.195 124.009 122.820 -0.009 0.000 1.883 61 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 61 A C 2.550 180.130 177.584 -0.007 0.000 1.186 61 A CA 1.835 53.867 52.037 -0.008 0.000 0.624 61 A CB -0.779 18.216 19.000 -0.009 0.000 0.822 61 A HN 0.062 nan 8.150 nan 0.000 0.444 62 V N -0.065 119.845 119.914 -0.008 0.000 2.407 62 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 62 V C 2.781 178.871 176.094 -0.006 0.000 1.055 62 V CA 1.912 64.207 62.300 -0.007 0.000 1.049 62 V CB -1.391 30.427 31.823 -0.007 0.000 0.662 62 V HN 0.634 nan 8.190 nan 0.000 0.455 63 G N -0.582 108.215 108.800 -0.007 0.000 2.422 63 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.218 63 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.218 63 G C 1.695 176.592 174.900 -0.005 0.000 1.146 63 G CA 1.026 46.122 45.100 -0.006 0.000 0.769 63 G HN 0.605 nan 8.290 nan 0.000 0.547 64 A N 0.476 123.293 122.820 -0.006 0.000 1.903 64 A HA 0.193 4.513 4.320 -0.001 0.000 0.213 64 A C 2.268 179.849 177.584 -0.005 0.000 1.185 64 A CA 1.583 53.617 52.037 -0.005 0.000 0.628 64 A CB -0.196 18.801 19.000 -0.005 0.000 0.830 64 A HN 0.316 nan 8.150 nan 0.000 0.446 65 K N -0.380 120.017 120.400 -0.005 0.000 2.026 65 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 65 K C 2.088 178.686 176.600 -0.004 0.000 1.048 65 K CA 1.721 58.005 56.287 -0.004 0.000 0.929 65 K CB -0.112 32.386 32.500 -0.005 0.000 0.713 65 K HN 0.218 nan 8.250 nan 0.000 0.439 66 K N 1.317 121.714 120.400 -0.004 0.000 2.217 66 K HA -0.083 4.237 4.320 -0.001 0.000 0.202 66 K C 1.764 178.362 176.600 -0.004 0.000 1.051 66 K CA 1.103 57.387 56.287 -0.004 0.000 0.952 66 K CB 0.122 32.620 32.500 -0.004 0.000 0.736 66 K HN -0.044 nan 8.250 nan 0.000 0.453 67 K N -0.375 120.023 120.400 -0.004 0.000 2.211 67 K HA -0.027 4.292 4.320 -0.001 0.000 0.203 67 K C 1.440 178.038 176.600 -0.003 0.000 1.050 67 K CA 1.196 57.480 56.287 -0.004 0.000 0.945 67 K CB -0.045 32.453 32.500 -0.004 0.000 0.732 67 K HN 0.143 nan 8.250 nan 0.000 0.451 68 A N 0.884 123.702 122.820 -0.003 0.000 2.235 68 A HA 0.011 4.331 4.320 -0.001 0.000 0.208 68 A C 0.344 177.926 177.584 -0.003 0.000 1.172 68 A CA 0.611 52.646 52.037 -0.003 0.000 0.786 68 A CB -0.323 18.675 19.000 -0.003 0.000 0.804 68 A HN 0.453 nan 8.150 nan 0.000 0.479 69 K N 0.148 120.546 120.400 -0.003 0.000 3.353 69 K HA -0.136 4.184 4.320 -0.001 0.000 0.272 69 K C -1.027 175.571 176.600 -0.003 0.000 1.071 69 K CA 0.874 57.159 56.287 -0.003 0.000 0.789 69 K CB -1.494 31.005 32.500 -0.003 0.000 1.325 69 K HN 0.755 nan 8.250 nan 0.000 0.464 70 E N 0.211 120.409 120.200 -0.003 0.000 2.202 70 E HA 0.581 4.930 4.350 -0.001 0.000 0.272 70 E C 0.193 176.791 176.600 -0.003 0.000 0.951 70 E CA -0.414 55.984 56.400 -0.003 0.000 0.813 70 E CB 1.596 31.294 29.700 -0.003 0.000 1.151 70 E HN 0.411 nan 8.360 nan 0.000 0.398 101 V N 4.917 124.828 119.914 -0.005 0.000 2.255 101 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 101 V C 2.331 178.421 176.094 -0.005 0.000 1.051 101 V CA 2.766 65.063 62.300 -0.005 0.000 1.018 101 V CB -0.650 31.170 31.823 -0.005 0.000 0.641 101 V HN 0.899 nan 8.190 nan 0.000 0.445 102 L N -0.591 120.629 121.223 -0.005 0.000 2.081 102 L HA -0.283 4.057 4.340 -0.001 0.000 0.212 102 L C 2.660 179.527 176.870 -0.005 0.000 1.080 102 L CA 1.810 56.647 54.840 -0.005 0.000 0.754 102 L CB -0.593 41.464 42.059 -0.004 0.000 0.893 102 L HN 0.388 nan 8.230 nan 0.000 0.433 103 Q N -0.456 119.341 119.800 -0.005 0.000 2.046 103 Q HA -0.168 4.171 4.340 -0.001 0.000 0.200 103 Q C 2.426 178.421 176.000 -0.007 0.000 0.975 103 Q CA 1.265 57.065 55.803 -0.006 0.000 0.836 103 Q CB -0.173 28.562 28.738 -0.005 0.000 0.896 103 Q HN 0.493 nan 8.270 nan 0.000 0.428 104 L N 0.736 121.955 121.223 -0.007 0.000 2.042 104 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 104 L C 2.345 179.209 176.870 -0.009 0.000 1.076 104 L CA 1.375 56.210 54.840 -0.009 0.000 0.749 104 L CB -0.352 41.703 42.059 -0.008 0.000 0.893 104 L HN 0.171 nan 8.230 nan 0.000 0.432 105 K N -0.592 119.803 120.400 -0.008 0.000 2.057 105 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 105 K C 2.162 178.757 176.600 -0.008 0.000 1.049 105 K CA 1.385 57.667 56.287 -0.008 0.000 0.931 105 K CB -0.129 32.367 32.500 -0.007 0.000 0.714 105 K HN 0.108 nan 8.250 nan 0.000 0.440 106 Q N 1.361 121.156 119.800 -0.008 0.000 2.084 106 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 106 Q C 1.922 177.916 176.000 -0.009 0.000 0.978 106 Q CA 1.285 57.083 55.803 -0.008 0.000 0.844 106 Q CB -0.298 28.436 28.738 -0.006 0.000 0.898 106 Q HN 0.202 nan 8.270 nan 0.000 0.426 107 L N -0.176 121.041 121.223 -0.010 0.000 2.131 107 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 107 L C 2.101 178.963 176.870 -0.015 0.000 1.092 107 L CA 1.829 56.662 54.840 -0.012 0.000 0.759 107 L CB -0.847 41.205 42.059 -0.012 0.000 0.903 107 L HN 0.149 nan 8.230 nan 0.000 0.435 108 S N -0.576 115.116 115.700 -0.014 0.000 2.356 108 S HA -0.179 4.291 4.470 -0.001 0.000 0.223 108 S C 1.907 176.498 174.600 -0.015 0.000 1.032 108 S CA 1.448 59.639 58.200 -0.016 0.000 1.005 108 S CB -0.119 63.073 63.200 -0.014 0.000 0.867 108 S HN 0.475 nan 8.310 nan 0.000 0.449 109 K N 0.804 121.196 120.400 -0.012 0.000 2.057 109 K HA -0.100 4.220 4.320 -0.001 0.000 0.207 109 K C 1.641 178.234 176.600 -0.012 0.000 1.049 109 K CA 1.523 57.803 56.287 -0.011 0.000 0.931 109 K CB -0.183 32.311 32.500 -0.009 0.000 0.714 109 K HN 0.239 nan 8.250 nan 0.000 0.440 110 D N 0.916 121.308 120.400 -0.012 0.000 2.117 110 D HA -0.103 4.537 4.640 -0.001 0.000 0.198 110 D C 1.912 178.202 176.300 -0.017 0.000 0.982 110 D CA 0.934 54.926 54.000 -0.013 0.000 0.828 110 D CB -0.168 40.625 40.800 -0.011 0.000 0.967 110 D HN 0.103 nan 8.370 nan 0.000 0.464 111 L N 0.529 121.740 121.223 -0.020 0.000 2.083 111 L HA -0.127 4.213 4.340 -0.001 0.000 0.209 111 L C 2.400 179.254 176.870 -0.027 0.000 1.083 111 L CA 0.814 55.638 54.840 -0.027 0.000 0.752 111 L CB -0.281 41.759 42.059 -0.031 0.000 0.899 111 L HN -0.064 nan 8.230 nan 0.000 0.433 112 S N -0.449 115.237 115.700 -0.022 0.000 2.383 112 S HA -0.160 4.310 4.470 -0.001 0.000 0.227 112 S C 1.484 176.073 174.600 -0.018 0.000 1.026 112 S CA 1.174 59.361 58.200 -0.021 0.000 0.981 112 S CB -0.227 62.963 63.200 -0.017 0.000 0.818 112 S HN 0.436 nan 8.310 nan 0.000 0.472 113 D N 1.202 121.593 120.400 -0.015 0.000 2.117 113 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 113 D C 2.046 178.337 176.300 -0.015 0.000 0.987 113 D CA 0.842 54.835 54.000 -0.013 0.000 0.829 113 D CB -0.436 40.358 40.800 -0.010 0.000 0.961 113 D HN 0.402 nan 8.370 nan 0.000 0.460 114 Q N 0.681 120.470 119.800 -0.018 0.000 2.050 114 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 114 Q C 2.167 178.151 176.000 -0.027 0.000 0.980 114 Q CA 1.081 56.872 55.803 -0.021 0.000 0.840 114 Q CB 0.045 28.768 28.738 -0.025 0.000 0.898 114 Q HN 0.093 nan 8.270 nan 0.000 0.424 115 V N 1.171 121.065 119.914 -0.032 0.000 2.332 115 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 115 V C 2.426 178.504 176.094 -0.027 0.000 1.055 115 V CA 1.813 64.091 62.300 -0.038 0.000 1.038 115 V CB -1.043 30.756 31.823 -0.041 0.000 0.651 115 V HN 0.498 nan 8.190 nan 0.000 0.450 116 A N 0.380 123.188 122.820 -0.019 0.000 1.902 116 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 116 A C 2.419 179.998 177.584 -0.008 0.000 1.181 116 A CA 1.939 53.970 52.037 -0.011 0.000 0.623 116 A CB -1.174 17.822 19.000 -0.008 0.000 0.818 116 A HN 0.529 nan 8.150 nan 0.000 0.443 117 G N -0.383 108.411 108.800 -0.010 0.000 2.408 117 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 117 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 117 G C 1.536 176.431 174.900 -0.008 0.000 1.150 117 G CA 0.935 46.032 45.100 -0.006 0.000 0.776 117 G HN 0.424 nan 8.290 nan 0.000 0.542 118 L N 0.558 121.769 121.223 -0.019 0.000 2.141 118 L HA -0.023 4.317 4.340 -0.001 0.000 0.209 118 L C 3.344 180.198 176.870 -0.027 0.000 1.094 118 L CA 0.877 55.699 54.840 -0.031 0.000 0.763 118 L CB -0.250 41.777 42.059 -0.053 0.000 0.908 118 L HN 0.315 nan 8.230 nan 0.000 0.437 119 A N -0.422 122.389 122.820 -0.016 0.000 1.898 119 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 119 A C 2.297 179.899 177.584 0.029 0.000 1.181 119 A CA 1.175 53.214 52.037 0.004 0.000 0.620 119 A CB -0.212 18.791 19.000 0.006 0.000 0.819 119 A HN 0.149 nan 8.150 nan 0.000 0.442 120 K N -0.127 120.286 120.400 0.021 0.000 2.097 120 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 120 K C 1.907 178.531 176.600 0.039 0.000 1.049 120 K CA 1.601 57.905 56.287 0.028 0.000 0.933 120 K CB -0.322 32.188 32.500 0.018 0.000 0.717 120 K HN 0.775 nan 8.250 nan 0.000 0.442 121 E N 0.515 120.736 120.200 0.034 0.000 2.047 121 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 121 E C 1.939 178.592 176.600 0.087 0.000 0.987 121 E CA 0.931 57.358 56.400 0.046 0.000 0.799 121 E CB -0.012 29.703 29.700 0.025 0.000 0.752 121 E HN 0.217 nan 8.360 nan 0.000 0.449 122 A N 1.012 123.882 122.820 0.083 0.000 1.892 122 A HA -0.314 4.006 4.320 -0.001 0.000 0.218 122 A C 2.127 179.886 177.584 0.292 0.000 1.188 122 A CA 1.980 54.132 52.037 0.192 0.000 0.631 122 A CB -0.765 18.276 19.000 0.068 0.000 0.822 122 A HN 0.374 nan 8.150 nan 0.000 0.447 123 Q N -1.240 118.660 119.800 0.166 0.000 2.061 123 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 123 Q C 2.444 178.495 176.000 0.085 0.000 0.984 123 Q CA 1.606 57.480 55.803 0.119 0.000 0.846 123 Q CB -0.177 28.604 28.738 0.072 0.000 0.902 123 Q HN 0.663 nan 8.270 nan 0.000 0.421 124 Q N 0.230 120.075 119.800 0.076 0.000 2.084 124 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 124 Q C 2.236 178.268 176.000 0.052 0.000 0.978 124 Q CA 1.109 56.942 55.803 0.050 0.000 0.844 124 Q CB -0.255 28.509 28.738 0.043 0.000 0.898 124 Q HN 0.430 nan 8.270 nan 0.000 0.426 125 L N 0.605 121.889 121.223 0.101 0.000 2.083 125 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 125 L C 2.268 179.149 176.870 0.017 0.000 1.083 125 L CA 1.164 56.066 54.840 0.104 0.000 0.752 125 L CB -0.360 41.831 42.059 0.221 0.000 0.899 125 L HN 0.237 nan 8.230 nan 0.000 0.433 126 E N -0.229 119.967 120.200 -0.008 0.000 2.106 126 E HA -0.254 4.096 4.350 -0.001 0.000 0.192 126 E C 2.062 178.584 176.600 -0.129 0.000 0.984 126 E CA 0.995 57.282 56.400 -0.190 0.000 0.806 126 E CB -0.035 29.557 29.700 -0.180 0.000 0.750 126 E HN 0.450 nan 8.360 nan 0.000 0.458 127 E N 1.017 121.182 120.200 -0.059 0.000 2.051 127 E HA -0.234 4.116 4.350 -0.001 0.000 0.192 127 E C 1.864 178.432 176.600 -0.054 0.000 0.991 127 E CA 1.129 57.499 56.400 -0.049 0.000 0.799 127 E CB 0.127 29.814 29.700 -0.021 0.000 0.748 127 E HN 0.253 nan 8.360 nan 0.000 0.449 128 E N 0.104 120.278 120.200 -0.042 0.000 2.077 128 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 128 E C 2.240 178.798 176.600 -0.070 0.000 0.989 128 E CA 0.812 57.188 56.400 -0.040 0.000 0.800 128 E CB -0.081 29.608 29.700 -0.019 0.000 0.746 128 E HN 0.107 nan 8.360 nan 0.000 0.452 129 R N 0.909 121.346 120.500 -0.105 0.000 2.070 129 R HA -0.182 4.157 4.340 -0.001 0.000 0.233 129 R C 1.558 177.754 176.300 -0.173 0.000 1.137 129 R CA 2.059 58.061 56.100 -0.163 0.000 0.945 129 R CB -0.074 30.086 30.300 -0.233 0.000 0.845 129 R HN 0.081 nan 8.270 nan 0.000 0.430 130 D N 0.464 120.765 120.400 -0.164 0.000 2.144 130 D HA -0.188 4.451 4.640 -0.001 0.000 0.199 130 D C 1.810 178.057 176.300 -0.089 0.000 0.984 130 D CA 1.714 55.629 54.000 -0.142 0.000 0.834 130 D CB -0.145 40.575 40.800 -0.132 0.000 0.955 130 D HN 0.500 nan 8.370 nan 0.000 0.465 131 K N 0.887 121.245 120.400 -0.070 0.000 2.097 131 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 131 K C 2.188 178.768 176.600 -0.032 0.000 1.050 131 K CA 0.778 57.041 56.287 -0.040 0.000 0.938 131 K CB -0.525 31.957 32.500 -0.030 0.000 0.718 131 K HN 0.126 nan 8.250 nan 0.000 0.442 132 L N 0.756 121.950 121.223 -0.047 0.000 2.042 132 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 132 L C 2.758 179.613 176.870 -0.026 0.000 1.076 132 L CA 1.459 56.277 54.840 -0.036 0.000 0.749 132 L CB -0.434 41.592 42.059 -0.054 0.000 0.893 132 L HN 0.243 nan 8.230 nan 0.000 0.432 133 M N -0.702 118.862 119.600 -0.060 0.000 2.446 133 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 133 M C 2.103 178.424 176.300 0.035 0.000 1.066 133 M CA 1.293 56.575 55.300 -0.030 0.000 1.087 133 M CB -0.258 32.276 32.600 -0.110 0.000 1.406 133 M HN 0.235 nan 8.290 nan 0.000 0.459 134 L N 0.033 121.270 121.223 0.022 0.000 2.187 134 L HA -0.233 4.107 4.340 -0.001 0.000 0.213 134 L C 1.158 178.067 176.870 0.065 0.000 1.100 134 L CA 1.304 56.174 54.840 0.049 0.000 0.765 134 L CB -0.724 41.354 42.059 0.032 0.000 0.904 134 L HN 0.448 nan 8.230 nan 0.000 0.437 135 N N -1.479 117.256 118.700 0.058 0.000 2.398 135 N HA 0.057 4.796 4.740 -0.001 0.000 0.188 135 N C -0.500 175.061 175.510 0.084 0.000 1.122 135 N CA -0.147 52.940 53.050 0.062 0.000 0.866 135 N CB 0.624 39.141 38.487 0.049 0.000 0.970 135 N HN 0.002 nan 8.380 nan 0.000 0.462 136 V N 0.950 120.935 119.914 0.118 0.000 2.357 136 V HA 0.526 4.645 4.120 -0.001 0.000 0.284 136 V C 0.778 176.975 176.094 0.172 0.000 1.018 136 V CA -1.055 61.337 62.300 0.154 0.000 0.841 136 V CB 1.066 33.040 31.823 0.252 0.000 0.991 136 V HN 0.132 nan 8.190 nan 0.000 0.437 137 G N 2.757 111.619 108.800 0.103 0.000 2.504 137 G HA2 0.261 4.220 3.960 -0.001 0.000 0.288 137 G HA3 0.261 4.220 3.960 -0.001 0.000 0.288 137 G C -0.021 174.918 174.900 0.065 0.000 1.182 137 G CA -0.493 44.634 45.100 0.045 0.000 0.894 137 G HN 0.601 nan 8.290 nan 0.000 0.521 138 N N -0.522 118.146 118.700 -0.054 0.000 2.374 138 N HA -0.065 4.674 4.740 -0.001 0.000 0.241 138 N C 0.611 176.127 175.510 0.009 0.000 1.262 138 N CA -0.377 52.677 53.050 0.006 0.000 0.880 138 N CB 0.249 38.649 38.487 -0.145 0.000 1.105 138 N HN 0.096 nan 8.380 nan 0.000 0.438 139 I N 3.468 124.059 120.570 0.034 0.000 2.587 139 I HA -0.013 4.156 4.170 -0.001 0.000 0.284 139 I C 0.792 176.931 176.117 0.037 0.000 1.134 139 I CA -0.005 61.305 61.300 0.016 0.000 1.410 139 I CB -0.745 37.266 38.000 0.017 0.000 1.392 139 I HN 0.345 nan 8.210 nan 0.000 0.545 140 L N 6.397 127.622 121.223 0.003 0.000 2.485 140 L HA 0.049 4.388 4.340 -0.001 0.000 0.275 140 L C 1.172 178.042 176.870 -0.000 0.000 1.207 140 L CA 0.061 54.906 54.840 0.009 0.000 0.855 140 L CB 0.030 42.069 42.059 -0.033 0.000 1.114 140 L HN 0.546 nan 8.230 nan 0.000 0.485 141 H N 2.372 121.379 119.070 -0.104 0.000 2.771 141 H HA -0.034 4.521 4.556 -0.001 0.000 0.364 141 H C 0.416 175.595 175.328 -0.250 0.000 1.133 141 H CA -0.201 55.660 56.048 -0.313 0.000 1.423 141 H CB 1.230 30.636 29.762 -0.592 0.000 1.425 141 H HN 0.630 nan 8.280 nan 0.000 0.606 142 E N 1.213 120.920 120.200 -0.821 0.000 2.338 142 E HA -0.132 4.218 4.350 -0.001 0.000 0.197 142 E C 1.802 178.213 176.600 -0.315 0.000 1.007 142 E CA 1.184 57.285 56.400 -0.497 0.000 0.849 142 E CB 0.179 29.571 29.700 -0.513 0.000 0.774 142 E HN 0.558 nan 8.360 nan 0.000 0.506 143 S N -0.656 114.902 115.700 -0.236 0.000 2.575 143 S HA 0.095 4.565 4.470 -0.001 0.000 0.215 143 S C 0.737 175.333 174.600 -0.006 0.000 0.966 143 S CA -0.480 57.704 58.200 -0.027 0.000 0.911 143 S CB 0.058 63.325 63.200 0.112 0.000 0.780 143 S HN -0.073 nan 8.310 nan 0.000 0.514 144 V N 4.270 124.170 119.914 -0.023 0.000 2.572 144 V HA 0.263 4.383 4.120 -0.001 0.000 0.291 144 V C -2.158 173.928 176.094 -0.012 0.000 1.039 144 V CA -1.591 60.697 62.300 -0.020 0.000 1.055 144 V CB 0.272 32.085 31.823 -0.016 0.000 0.969 144 V HN 0.308 nan 8.190 nan 0.000 0.482 145 P HA 0.208 nan 4.420 nan 0.000 0.271 145 P C -0.669 176.660 177.300 0.049 0.000 1.216 145 P CA -0.243 62.869 63.100 0.021 0.000 0.776 145 P CB 0.382 32.097 31.700 0.025 0.000 0.881 146 I N 2.490 123.099 120.570 0.065 0.000 2.307 146 I HA 0.587 4.756 4.170 -0.001 0.000 0.287 146 I C 0.418 176.683 176.117 0.246 0.000 1.054 146 I CA -0.490 60.888 61.300 0.130 0.000 1.218 146 I CB -0.511 37.514 38.000 0.042 0.000 1.398 146 I HN 0.397 nan 8.210 nan 0.000 0.475 147 A N 5.175 128.195 122.820 0.334 0.000 2.599 147 A HA 0.483 4.803 4.320 -0.001 0.000 0.294 147 A C 0.063 177.608 177.584 -0.066 0.000 1.055 147 A CA -0.452 51.668 52.037 0.138 0.000 0.683 147 A CB 1.523 20.550 19.000 0.046 0.000 1.278 147 A HN 0.529 nan 8.150 nan 0.000 0.412 148 Q N -0.493 119.059 119.800 -0.412 0.000 2.391 148 Q HA 0.105 4.445 4.340 -0.001 0.000 0.211 148 Q C -0.405 175.466 176.000 -0.215 0.000 0.908 148 Q CA 0.923 56.436 55.803 -0.483 0.000 0.920 148 Q CB 0.375 28.648 28.738 -0.776 0.000 1.056 148 Q HN 0.769 nan 8.270 nan 0.000 0.523 149 D N -0.638 119.670 120.400 -0.153 0.000 2.391 149 D HA 0.082 4.721 4.640 -0.001 0.000 0.245 149 D C 0.198 176.469 176.300 -0.047 0.000 1.069 149 D CA -0.133 53.813 54.000 -0.089 0.000 0.831 149 D CB 1.310 42.059 40.800 -0.085 0.000 1.204 149 D HN -0.033 nan 8.370 nan 0.000 0.503 150 E N 2.100 122.282 120.200 -0.029 0.000 2.077 150 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 150 E C 1.232 177.833 176.600 0.001 0.000 0.989 150 E CA 0.676 57.071 56.400 -0.008 0.000 0.800 150 E CB 0.205 29.905 29.700 -0.000 0.000 0.746 150 E HN 0.663 nan 8.360 nan 0.000 0.452 151 E N 0.103 120.304 120.200 0.002 0.000 2.049 151 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 151 E C 2.151 178.758 176.600 0.011 0.000 1.007 151 E CA 1.756 58.164 56.400 0.014 0.000 0.809 151 E CB -0.002 29.706 29.700 0.013 0.000 0.749 151 E HN 0.146 nan 8.360 nan 0.000 0.450 152 T N -1.810 112.744 114.554 0.000 0.000 3.009 152 T HA 0.068 4.418 4.350 -0.001 0.000 0.258 152 T C 1.598 176.299 174.700 0.002 0.000 1.063 152 T CA 1.181 63.281 62.100 0.001 0.000 1.139 152 T CB 0.006 68.870 68.868 -0.006 0.000 0.890 152 T HN 0.247 nan 8.240 nan 0.000 0.471 153 G N 1.339 110.137 108.800 -0.003 0.000 2.539 153 G HA2 0.076 4.036 3.960 -0.001 0.000 0.215 153 G HA3 0.076 4.036 3.960 -0.001 0.000 0.215 153 G C 0.684 175.592 174.900 0.013 0.000 1.141 153 G CA -0.352 44.750 45.100 0.004 0.000 0.806 153 G HN 0.398 nan 8.290 nan 0.000 0.533 154 N N 1.008 119.714 118.700 0.011 0.000 2.492 154 N HA 0.222 4.962 4.740 -0.001 0.000 0.260 154 N C -0.466 175.054 175.510 0.016 0.000 1.215 154 N CA 0.475 53.535 53.050 0.016 0.000 0.923 154 N CB 0.932 39.429 38.487 0.016 0.000 1.092 154 N HN -0.123 nan 8.380 nan 0.000 0.448 155 T N 1.081 115.651 114.554 0.026 0.000 2.771 155 T HA 0.307 4.656 4.350 -0.001 0.000 0.281 155 T C 0.182 174.902 174.700 0.034 0.000 0.982 155 T CA -0.598 61.518 62.100 0.027 0.000 0.978 155 T CB 1.023 69.912 68.868 0.035 0.000 0.930 155 T HN 0.048 nan 8.240 nan 0.000 0.447 156 V N 4.792 124.712 119.914 0.011 0.000 2.555 156 V HA 0.114 4.233 4.120 -0.001 0.000 0.286 156 V C 1.107 177.218 176.094 0.028 0.000 1.044 156 V CA 0.053 62.353 62.300 -0.000 0.000 1.026 156 V CB 1.239 33.033 31.823 -0.048 0.000 0.981 156 V HN 0.809 nan 8.190 nan 0.000 0.480 157 V N 4.865 124.808 119.914 0.049 0.000 2.690 157 V HA 0.268 4.388 4.120 -0.001 0.000 0.240 157 V C 0.848 176.964 176.094 0.036 0.000 1.078 157 V CA 0.966 63.301 62.300 0.059 0.000 1.102 157 V CB 0.111 31.985 31.823 0.086 0.000 0.800 157 V HN 0.839 nan 8.190 nan 0.000 0.479 158 R N -0.661 119.864 120.500 0.042 0.000 2.680 158 R HA 0.542 4.882 4.340 -0.001 0.000 0.269 158 R C -1.138 175.201 176.300 0.065 0.000 1.026 158 R CA -0.128 56.004 56.100 0.054 0.000 0.889 158 R CB 2.379 32.728 30.300 0.081 0.000 1.241 158 R HN 0.368 nan 8.270 nan 0.000 0.463 159 T N -1.448 113.122 114.554 0.027 0.000 2.906 159 T HA 0.722 5.072 4.350 -0.001 0.000 0.295 159 T C -1.133 173.512 174.700 -0.091 0.000 1.075 159 T CA -0.733 61.350 62.100 -0.029 0.000 1.005 159 T CB 1.800 70.641 68.868 -0.045 0.000 1.136 159 T HN 0.405 nan 8.240 nan 0.000 0.498 160 F N 0.749 120.403 119.950 -0.493 0.000 2.561 160 F HA 0.662 5.189 4.527 -0.000 0.000 0.313 160 F C 0.357 175.941 175.800 -0.360 0.000 1.126 160 F CA 0.874 58.556 58.000 -0.529 0.000 0.918 160 F CB 1.295 39.694 39.000 -1.002 0.000 1.199 160 F HN 1.391 nan 8.300 nan 0.000 0.444 161 G N 4.273 112.414 108.800 -1.099 0.000 2.660 161 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.215 161 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.215 161 G C -1.233 173.395 174.900 -0.454 0.000 1.345 161 G CA -0.496 44.045 45.100 -0.931 0.000 0.877 161 G HN 1.040 nan 8.290 nan 0.000 0.549 162 N N 1.007 119.502 118.700 -0.342 0.000 2.555 162 N HA 0.394 5.133 4.740 -0.001 0.000 0.244 162 N C 1.552 176.865 175.510 -0.329 0.000 1.114 162 N CA 0.685 53.573 53.050 -0.270 0.000 0.963 162 N CB 0.355 38.724 38.487 -0.197 0.000 1.276 162 N HN 0.962 nan 8.380 nan 0.000 0.510 163 T N -1.347 112.946 114.554 -0.436 0.000 3.219 163 T HA -0.009 4.340 4.350 -0.001 0.000 0.249 163 T C 1.127 174.899 174.700 -1.547 0.000 1.099 163 T CA 0.527 62.138 62.100 -0.815 0.000 0.988 163 T CB -0.395 68.301 68.868 -0.286 0.000 0.999 163 T HN 0.417 nan 8.240 nan 0.000 0.550 164 T N -2.343 111.687 114.554 -0.873 0.000 3.040 164 T HA 0.302 4.651 4.350 -0.001 0.000 0.266 164 T C 0.462 175.067 174.700 -0.158 0.000 1.005 164 T CA -0.627 61.099 62.100 -0.624 0.000 0.906 164 T CB -0.065 68.608 68.868 -0.324 0.000 1.082 164 T HN 0.375 nan 8.240 nan 0.000 0.531 165 K N 2.007 122.368 120.400 -0.066 0.000 2.561 165 K HA 0.019 4.339 4.320 -0.001 0.000 0.280 165 K C -0.369 176.415 176.600 0.307 0.000 0.975 165 K CA 0.130 56.495 56.287 0.130 0.000 1.024 165 K CB 0.398 32.976 32.500 0.130 0.000 0.883 165 K HN 0.098 nan 8.250 nan 0.000 0.496 166 R N 1.374 121.961 120.500 0.144 0.000 2.711 166 R HA 0.631 4.971 4.340 -0.001 0.000 0.284 166 R C -0.972 175.354 176.300 0.044 0.000 0.968 166 R CA -0.704 55.459 56.100 0.106 0.000 0.924 166 R CB 1.921 32.268 30.300 0.079 0.000 1.162 166 R HN 0.778 nan 8.270 nan 0.000 0.465 167 A N 1.197 124.027 122.820 0.017 0.000 2.569 167 A HA 0.426 4.746 4.320 -0.001 0.000 0.290 167 A C 0.448 178.031 177.584 -0.002 0.000 1.136 167 A CA -0.588 51.451 52.037 0.003 0.000 0.710 167 A CB 1.793 20.790 19.000 -0.005 0.000 1.303 167 A HN 0.678 nan 8.150 nan 0.000 0.413 168 K N -0.171 120.233 120.400 0.006 0.000 1.995 168 K HA 0.213 4.532 4.320 -0.001 0.000 0.207 168 K C -0.104 176.489 176.600 -0.012 0.000 1.041 168 K CA 0.832 57.118 56.287 -0.001 0.000 0.942 168 K CB -0.199 32.307 32.500 0.009 0.000 0.731 168 K HN 0.632 nan 8.250 nan 0.000 0.439 169 L N 2.763 123.988 121.223 0.003 0.000 2.322 169 L HA 0.201 4.541 4.340 -0.001 0.000 0.279 169 L C -0.274 176.591 176.870 -0.008 0.000 1.036 169 L CA -1.236 53.595 54.840 -0.015 0.000 0.807 169 L CB 1.331 43.387 42.059 -0.005 0.000 1.226 169 L HN 0.383 nan 8.230 nan 0.000 0.433 170 N N -0.110 118.559 118.700 -0.051 0.000 2.381 170 N HA -0.028 4.712 4.740 -0.001 0.000 0.254 170 N C 0.765 176.247 175.510 -0.047 0.000 1.264 170 N CA -0.073 52.938 53.050 -0.065 0.000 0.942 170 N CB 0.259 38.643 38.487 -0.172 0.000 1.190 170 N HN 0.664 nan 8.380 nan 0.000 0.495 171 H N -1.431 117.676 119.070 0.062 0.000 2.422 171 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 171 H C 1.223 176.586 175.328 0.058 0.000 1.098 171 H CA 1.549 57.650 56.048 0.088 0.000 1.315 171 H CB -0.520 29.339 29.762 0.161 0.000 1.382 171 H HN 0.221 nan 8.280 nan 0.000 0.523 172 V N 0.593 120.262 119.914 -0.409 0.000 2.307 172 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 172 V C 2.522 178.568 176.094 -0.080 0.000 1.045 172 V CA 1.923 64.111 62.300 -0.187 0.000 1.024 172 V CB -0.667 31.002 31.823 -0.257 0.000 0.651 172 V HN 0.522 nan 8.190 nan 0.000 0.449 173 S N -0.025 115.612 115.700 -0.106 0.000 2.368 173 S HA -0.126 4.344 4.470 -0.001 0.000 0.225 173 S C 1.893 176.463 174.600 -0.049 0.000 1.030 173 S CA 1.694 59.844 58.200 -0.084 0.000 0.999 173 S CB -0.365 62.773 63.200 -0.103 0.000 0.844 173 S HN 0.488 nan 8.310 nan 0.000 0.459 174 I N 1.328 121.915 120.570 0.029 0.000 2.142 174 I HA -0.229 3.941 4.170 -0.001 0.000 0.240 174 I C 2.415 178.653 176.117 0.201 0.000 1.078 174 I CA 1.363 62.767 61.300 0.172 0.000 1.343 174 I CB -0.323 37.823 38.000 0.243 0.000 1.046 174 I HN 0.282 nan 8.210 nan 0.000 0.405 175 M N -0.375 119.311 119.600 0.142 0.000 2.229 175 M HA -0.177 4.303 4.480 -0.001 0.000 0.264 175 M C 2.262 178.623 176.300 0.102 0.000 1.063 175 M CA 1.286 56.665 55.300 0.132 0.000 1.114 175 M CB -0.388 32.283 32.600 0.118 0.000 1.387 175 M HN 0.212 nan 8.290 nan 0.000 0.420 176 E N 1.234 121.469 120.200 0.058 0.000 2.047 176 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 176 E C 1.916 178.531 176.600 0.026 0.000 0.987 176 E CA 1.394 57.813 56.400 0.031 0.000 0.799 176 E CB -0.029 29.668 29.700 -0.006 0.000 0.752 176 E HN 0.464 nan 8.360 nan 0.000 0.449 177 R N 0.025 120.517 120.500 -0.014 0.000 2.148 177 R HA -0.011 4.328 4.340 -0.001 0.000 0.227 177 R C 2.622 179.024 176.300 0.170 0.000 1.103 177 R CA 0.695 56.749 56.100 -0.077 0.000 0.983 177 R CB -0.233 29.765 30.300 -0.503 0.000 0.874 177 R HN 0.214 nan 8.270 nan 0.000 0.451 178 L N -0.311 121.094 121.223 0.303 0.000 2.275 178 L HA -0.020 4.319 4.340 -0.001 0.000 0.215 178 L C 1.343 178.305 176.870 0.153 0.000 1.119 178 L CA 0.950 55.957 54.840 0.279 0.000 0.790 178 L CB -0.364 41.818 42.059 0.205 0.000 0.919 178 L HN 0.470 nan 8.230 nan 0.000 0.443 179 G N -0.317 108.550 108.800 0.112 0.000 2.160 179 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.251 179 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.251 179 G C 0.590 175.536 174.900 0.078 0.000 1.008 179 G CA 0.604 45.752 45.100 0.080 0.000 0.724 179 G HN 0.396 nan 8.290 nan 0.000 0.514 180 M N -0.886 118.766 119.600 0.088 0.000 2.347 180 M HA 0.483 4.963 4.480 -0.001 0.000 0.324 180 M C 0.530 176.888 176.300 0.096 0.000 1.028 180 M CA 0.192 55.543 55.300 0.085 0.000 0.988 180 M CB 0.716 33.365 32.600 0.082 0.000 1.528 180 M HN 0.372 nan 8.290 nan 0.000 0.550 181 M N 0.706 120.365 119.600 0.098 0.000 2.324 181 M HA 0.391 4.871 4.480 -0.001 0.000 0.288 181 M C -2.194 174.170 176.300 0.107 0.000 1.097 181 M CA -0.422 54.948 55.300 0.116 0.000 0.928 181 M CB 2.244 34.908 32.600 0.106 0.000 1.648 181 M HN -0.186 nan 8.290 nan 0.000 0.460 182 D N 2.922 123.399 120.400 0.128 0.000 2.481 182 D HA 0.409 5.049 4.640 -0.001 0.000 0.246 182 D C -0.040 176.341 176.300 0.135 0.000 1.109 182 D CA 0.044 54.109 54.000 0.107 0.000 0.845 182 D CB 1.806 42.658 40.800 0.086 0.000 1.160 182 D HN 0.737 nan 8.370 nan 0.000 0.534 183 T N -0.424 114.198 114.554 0.113 0.000 3.200 183 T HA 0.223 4.573 4.350 -0.001 0.000 0.284 183 T C 0.880 175.633 174.700 0.089 0.000 1.009 183 T CA -0.283 61.891 62.100 0.123 0.000 0.907 183 T CB -0.200 68.736 68.868 0.113 0.000 1.120 183 T HN 0.233 nan 8.240 nan 0.000 0.534 184 S N 1.308 117.051 115.700 0.071 0.000 2.640 184 S HA 0.354 4.824 4.470 -0.001 0.000 0.262 184 S C 1.265 175.898 174.600 0.055 0.000 1.232 184 S CA -0.795 57.437 58.200 0.054 0.000 0.988 184 S CB 0.865 64.091 63.200 0.044 0.000 1.034 184 S HN 0.247 nan 8.310 nan 0.000 0.569 185 K N 0.257 120.684 120.400 0.045 0.000 2.280 185 K HA -0.047 4.273 4.320 -0.001 0.000 0.202 185 K C 2.341 178.965 176.600 0.041 0.000 1.047 185 K CA 1.006 57.318 56.287 0.043 0.000 0.942 185 K CB -0.776 31.745 32.500 0.034 0.000 0.739 185 K HN 0.689 nan 8.250 nan 0.000 0.457 186 A N 1.075 123.919 122.820 0.039 0.000 1.986 186 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 186 A C 2.286 179.894 177.584 0.041 0.000 1.171 186 A CA 1.678 53.737 52.037 0.036 0.000 0.640 186 A CB -0.390 18.631 19.000 0.035 0.000 0.811 186 A HN 0.091 nan 8.150 nan 0.000 0.451 187 V N -0.520 119.425 119.914 0.051 0.000 2.492 187 V HA -0.114 4.006 4.120 -0.001 0.000 0.241 187 V C 2.815 178.946 176.094 0.062 0.000 1.041 187 V CA 1.994 64.328 62.300 0.056 0.000 1.057 187 V CB -1.028 30.838 31.823 0.073 0.000 0.711 187 V HN 0.765 nan 8.190 nan 0.000 0.468 188 T N -0.605 113.992 114.554 0.072 0.000 2.915 188 T HA -0.148 4.201 4.350 -0.001 0.000 0.269 188 T C 1.911 176.649 174.700 0.064 0.000 1.071 188 T CA 1.537 63.685 62.100 0.080 0.000 1.132 188 T CB -0.488 68.433 68.868 0.087 0.000 0.878 188 T HN 0.561 nan 8.240 nan 0.000 0.479 189 S N 0.800 116.530 115.700 0.050 0.000 2.481 189 S HA 0.119 4.588 4.470 -0.001 0.000 0.231 189 S C 2.040 176.661 174.600 0.035 0.000 0.996 189 S CA 0.383 58.607 58.200 0.040 0.000 0.942 189 S CB -0.616 62.604 63.200 0.033 0.000 0.768 189 S HN 0.489 nan 8.310 nan 0.000 0.520 190 M N 0.640 120.262 119.600 0.036 0.000 2.325 190 M HA 0.291 4.771 4.480 -0.001 0.000 0.265 190 M C 2.151 178.468 176.300 0.029 0.000 1.094 190 M CA 1.318 56.635 55.300 0.028 0.000 1.161 190 M CB -0.071 32.543 32.600 0.025 0.000 1.358 190 M HN 0.518 nan 8.290 nan 0.000 0.446 191 A N -0.197 122.648 122.820 0.041 0.000 2.508 191 A HA 0.557 4.877 4.320 -0.001 0.000 0.250 191 A C 0.869 178.496 177.584 0.072 0.000 1.208 191 A CA 0.412 52.476 52.037 0.044 0.000 0.960 191 A CB 0.105 19.127 19.000 0.038 0.000 1.099 191 A HN 0.525 nan 8.150 nan 0.000 0.542 192 G N -1.092 107.758 108.800 0.084 0.000 2.757 192 G HA2 0.352 4.312 3.960 -0.001 0.000 0.638 192 G HA3 0.352 4.312 3.960 -0.001 0.000 0.638 192 G C 0.400 175.399 174.900 0.166 0.000 1.344 192 G CA -0.315 44.852 45.100 0.111 0.000 0.855 192 G HN 1.478 nan 8.290 nan 0.000 0.537 193 G N -1.112 107.805 108.800 0.194 0.000 2.484 193 G HA2 0.531 4.490 3.960 -0.001 0.000 0.235 193 G HA3 0.531 4.490 3.960 -0.001 0.000 0.235 193 G C 0.972 176.056 174.900 0.306 0.000 1.282 193 G CA 0.889 46.122 45.100 0.222 0.000 0.857 193 G HN 1.735 nan 8.290 nan 0.000 0.571 194 R N -1.016 119.596 120.500 0.188 0.000 3.953 194 R HA -0.207 4.132 4.340 -0.001 0.000 0.340 194 R C 0.954 177.404 176.300 0.250 0.000 1.195 194 R CA 0.876 57.052 56.100 0.125 0.000 0.929 194 R CB -2.380 27.840 30.300 -0.133 0.000 1.402 194 R HN 0.830 nan 8.270 nan 0.000 0.540 195 S N 0.230 116.092 115.700 0.271 0.000 2.652 195 S HA 0.646 5.115 4.470 -0.001 0.000 0.270 195 S C -0.234 174.533 174.600 0.278 0.000 1.243 195 S CA -0.417 57.932 58.200 0.248 0.000 0.999 195 S CB 1.261 64.552 63.200 0.152 0.000 0.973 195 S HN 0.374 nan 8.310 nan 0.000 0.544 196 Y N -2.351 118.003 120.300 0.090 0.000 2.592 196 Y HA 0.736 5.285 4.550 -0.000 0.000 0.334 196 Y C -1.693 174.248 175.900 0.068 0.000 1.136 196 Y CA -1.532 56.613 58.100 0.074 0.000 1.042 196 Y CB 0.593 39.096 38.460 0.072 0.000 1.325 196 Y HN 0.501 nan 8.280 nan 0.000 0.457 197 V N 4.153 124.162 119.914 0.159 0.000 2.513 197 V HA 0.510 4.629 4.120 -0.001 0.000 0.299 197 V C -0.302 175.918 176.094 0.211 0.000 1.035 197 V CA -0.769 61.589 62.300 0.095 0.000 0.889 197 V CB 1.597 33.459 31.823 0.065 0.000 0.988 197 V HN 0.761 nan 8.190 nan 0.000 0.440 198 L N 4.899 126.237 121.223 0.193 0.000 2.331 198 L HA 0.674 5.014 4.340 -0.001 0.000 0.275 198 L C -0.145 176.790 176.870 0.108 0.000 1.022 198 L CA -0.652 54.294 54.840 0.177 0.000 0.812 198 L CB 1.827 44.009 42.059 0.206 0.000 1.257 198 L HN 0.549 nan 8.230 nan 0.000 0.435 199 K N 0.437 120.893 120.400 0.093 0.000 2.444 199 K HA 0.690 5.010 4.320 -0.001 0.000 0.252 199 K C 0.131 176.768 176.600 0.061 0.000 0.993 199 K CA -0.273 56.056 56.287 0.069 0.000 0.847 199 K CB 2.177 34.715 32.500 0.063 0.000 1.340 199 K HN 0.733 nan 8.250 nan 0.000 0.446 200 G N 0.746 109.575 108.800 0.049 0.000 2.611 200 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.301 200 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.301 200 G C 0.938 175.862 174.900 0.039 0.000 1.233 200 G CA 0.387 45.511 45.100 0.041 0.000 0.993 200 G HN 0.805 nan 8.290 nan 0.000 0.553 201 G N -0.315 108.504 108.800 0.032 0.000 2.450 201 G HA2 0.028 3.988 3.960 -0.001 0.000 0.220 201 G HA3 0.028 3.988 3.960 -0.001 0.000 0.220 201 G C 1.931 176.848 174.900 0.028 0.000 1.130 201 G CA 1.521 46.635 45.100 0.023 0.000 0.760 201 G HN 0.744 nan 8.290 nan 0.000 0.557 202 L N 0.137 121.387 121.223 0.044 0.000 2.156 202 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 202 L C 2.906 179.812 176.870 0.060 0.000 1.095 202 L CA 0.207 55.078 54.840 0.052 0.000 0.770 202 L CB -0.262 41.839 42.059 0.070 0.000 0.914 202 L HN 0.094 nan 8.230 nan 0.000 0.439 203 V N -0.531 119.421 119.914 0.064 0.000 2.427 203 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 203 V C 2.394 178.521 176.094 0.055 0.000 1.051 203 V CA 1.520 63.860 62.300 0.066 0.000 1.048 203 V CB -0.555 31.306 31.823 0.063 0.000 0.666 203 V HN 0.483 nan 8.190 nan 0.000 0.456 204 Q N -0.574 119.253 119.800 0.045 0.000 2.096 204 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 204 Q C 2.285 178.310 176.000 0.041 0.000 0.982 204 Q CA 1.793 57.621 55.803 0.041 0.000 0.850 204 Q CB -0.311 28.445 28.738 0.030 0.000 0.901 204 Q HN 0.538 nan 8.270 nan 0.000 0.422 205 L N 0.851 122.092 121.223 0.029 0.000 2.056 205 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 205 L C 2.429 179.318 176.870 0.031 0.000 1.078 205 L CA 1.862 56.712 54.840 0.015 0.000 0.749 205 L CB -0.661 41.397 42.059 -0.003 0.000 0.901 205 L HN 0.215 nan 8.230 nan 0.000 0.433 206 Q N -0.778 119.050 119.800 0.047 0.000 2.045 206 Q HA -0.216 4.124 4.340 -0.001 0.000 0.206 206 Q C 2.010 178.048 176.000 0.063 0.000 0.991 206 Q CA 2.968 58.807 55.803 0.059 0.000 0.851 206 Q CB -0.218 28.567 28.738 0.077 0.000 0.911 206 Q HN 0.449 nan 8.270 nan 0.000 0.418 207 V N 1.115 121.069 119.914 0.066 0.000 2.358 207 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 207 V C 2.467 178.616 176.094 0.091 0.000 1.047 207 V CA 1.607 63.953 62.300 0.076 0.000 1.035 207 V CB -1.156 30.712 31.823 0.075 0.000 0.658 207 V HN 0.548 nan 8.190 nan 0.000 0.452 208 A N -0.063 122.812 122.820 0.092 0.000 1.917 208 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 208 A C 2.230 179.832 177.584 0.029 0.000 1.182 208 A CA 2.025 54.126 52.037 0.107 0.000 0.633 208 A CB -0.576 18.477 19.000 0.088 0.000 0.819 208 A HN 0.506 nan 8.150 nan 0.000 0.448 209 L N -0.765 120.484 121.223 0.044 0.000 2.093 209 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 209 L C 2.541 179.453 176.870 0.070 0.000 1.085 209 L CA 0.877 55.767 54.840 0.083 0.000 0.755 209 L CB -0.451 41.661 42.059 0.089 0.000 0.904 209 L HN 0.254 nan 8.230 nan 0.000 0.435 210 V N -1.129 118.815 119.914 0.050 0.000 2.261 210 V HA -0.322 3.798 4.120 -0.001 0.000 0.246 210 V C 2.661 178.770 176.094 0.025 0.000 1.047 210 V CA 2.183 64.504 62.300 0.036 0.000 1.015 210 V CB -0.430 31.425 31.823 0.053 0.000 0.642 210 V HN 0.458 nan 8.190 nan 0.000 0.446 211 S N -1.438 114.289 115.700 0.046 0.000 2.368 211 S HA -0.216 4.253 4.470 -0.001 0.000 0.224 211 S C 2.032 176.591 174.600 -0.067 0.000 1.029 211 S CA 1.630 59.878 58.200 0.081 0.000 0.988 211 S CB -0.446 62.905 63.200 0.252 0.000 0.838 211 S HN 0.650 nan 8.310 nan 0.000 0.462 212 Y N 2.192 122.168 120.300 -0.540 0.000 2.181 212 Y HA -0.057 4.492 4.550 -0.001 0.000 0.288 212 Y C 2.536 178.373 175.900 -0.105 0.000 1.146 212 Y CA 1.794 59.459 58.100 -0.726 0.000 1.164 212 Y CB -0.883 37.069 38.460 -0.847 0.000 0.982 212 Y HN 0.270 nan 8.280 nan 0.000 0.515 213 S N 0.289 115.888 115.700 -0.167 0.000 2.356 213 S HA -0.180 4.290 4.470 -0.001 0.000 0.223 213 S C 1.926 176.430 174.600 -0.161 0.000 1.032 213 S CA 1.354 59.424 58.200 -0.216 0.000 1.005 213 S CB -0.790 62.274 63.200 -0.227 0.000 0.867 213 S HN 0.459 nan 8.310 nan 0.000 0.449 214 L N 2.302 123.477 121.223 -0.079 0.000 2.012 214 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 214 L C 1.567 178.442 176.870 0.008 0.000 1.073 214 L CA 1.938 56.768 54.840 -0.017 0.000 0.748 214 L CB -0.796 41.283 42.059 0.033 0.000 0.891 214 L HN 0.116 nan 8.230 nan 0.000 0.431 215 D N -1.163 119.251 120.400 0.023 0.000 2.144 215 D HA -0.242 4.398 4.640 -0.001 0.000 0.199 215 D C 2.021 178.337 176.300 0.027 0.000 0.984 215 D CA 1.362 55.404 54.000 0.070 0.000 0.834 215 D CB -0.346 40.566 40.800 0.187 0.000 0.955 215 D HN 0.397 nan 8.370 nan 0.000 0.465 216 F N 0.857 120.667 119.950 -0.233 0.000 2.126 216 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 216 F C 2.043 177.755 175.800 -0.147 0.000 1.096 216 F CA 1.193 59.051 58.000 -0.237 0.000 1.255 216 F CB -0.001 38.777 39.000 -0.370 0.000 0.997 216 F HN -0.084 nan 8.300 nan 0.000 0.479 217 L N -1.240 119.982 121.223 -0.002 0.000 2.131 217 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 217 L C 2.328 179.231 176.870 0.056 0.000 1.087 217 L CA 0.496 55.270 54.840 -0.110 0.000 0.767 217 L CB -0.755 41.126 42.059 -0.296 0.000 0.917 217 L HN -0.050 nan 8.230 nan 0.000 0.441 218 V N 0.380 120.328 119.914 0.055 0.000 2.324 218 V HA -0.333 3.787 4.120 -0.001 0.000 0.250 218 V C 2.400 178.523 176.094 0.049 0.000 1.060 218 V CA 1.872 64.219 62.300 0.079 0.000 1.042 218 V CB -0.555 31.309 31.823 0.069 0.000 0.650 218 V HN 0.428 nan 8.190 nan 0.000 0.450 219 K N -0.471 119.926 120.400 -0.005 0.000 2.362 219 K HA -0.063 4.257 4.320 -0.001 0.000 0.200 219 K C 1.853 178.426 176.600 -0.045 0.000 1.046 219 K CA 0.872 57.135 56.287 -0.040 0.000 0.952 219 K CB -0.108 32.334 32.500 -0.097 0.000 0.753 219 K HN 0.397 nan 8.250 nan 0.000 0.466 220 R N -0.577 119.920 120.500 -0.006 0.000 2.466 220 R HA 0.085 4.425 4.340 -0.001 0.000 0.279 220 R C 0.449 176.829 176.300 0.134 0.000 0.976 220 R CA 0.336 56.471 56.100 0.058 0.000 1.081 220 R CB 0.935 31.279 30.300 0.073 0.000 1.215 220 R HN 0.287 nan 8.270 nan 0.000 0.546 221 G N 0.152 109.009 108.800 0.095 0.000 2.141 221 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.242 221 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.242 221 G C -0.383 174.498 174.900 -0.032 0.000 0.982 221 G CA -0.364 44.739 45.100 0.005 0.000 0.662 221 G HN 0.234 nan 8.290 nan 0.000 0.527 222 Y N 1.057 121.337 120.300 -0.032 0.000 2.299 222 Y HA 0.549 5.098 4.550 -0.001 0.000 0.326 222 Y C 1.261 177.169 175.900 0.014 0.000 1.164 222 Y CA -0.004 58.084 58.100 -0.020 0.000 1.234 222 Y CB 1.264 39.731 38.460 0.013 0.000 1.219 222 Y HN 0.035 nan 8.280 nan 0.000 0.497 223 T N 6.492 121.133 114.554 0.146 0.000 2.743 223 T HA 0.257 4.607 4.350 -0.001 0.000 0.293 223 T C -2.485 172.397 174.700 0.302 0.000 0.945 223 T CA -1.497 60.712 62.100 0.182 0.000 1.030 223 T CB 0.638 69.595 68.868 0.149 0.000 0.912 223 T HN 0.261 nan 8.240 nan 0.000 0.483 224 P HA 0.213 nan 4.420 nan 0.000 0.266 224 P C -0.991 176.494 177.300 0.308 0.000 1.195 224 P CA -0.165 63.079 63.100 0.240 0.000 0.768 224 P CB 0.270 32.059 31.700 0.148 0.000 0.838 225 F N 3.845 123.875 119.950 0.133 0.000 2.617 225 F HA 0.378 4.905 4.527 -0.001 0.000 0.325 225 F C -1.678 174.161 175.800 0.066 0.000 1.179 225 F CA -0.930 57.104 58.000 0.057 0.000 0.965 225 F CB 0.927 39.915 39.000 -0.020 0.000 1.232 225 F HN 0.178 nan 8.300 nan 0.000 0.461 226 Y N 8.706 128.956 120.300 -0.083 0.000 2.369 226 Y HA 0.652 5.201 4.550 -0.001 0.000 0.337 226 Y C -2.564 173.279 175.900 -0.094 0.000 0.961 226 Y CA -2.212 55.884 58.100 -0.007 0.000 1.186 226 Y CB 0.969 39.397 38.460 -0.055 0.000 1.139 226 Y HN 0.431 nan 8.280 nan 0.000 0.494 227 P HA 0.422 nan 4.420 nan 0.000 0.285 227 P C -2.969 174.100 177.300 -0.385 0.000 1.285 227 P CA -2.278 60.720 63.100 -0.170 0.000 0.854 227 P CB 1.319 33.080 31.700 0.101 0.000 1.180 228 P HA 0.063 nan 4.420 nan 0.000 0.269 228 P C 0.131 177.409 177.300 -0.036 0.000 1.209 228 P CA 0.134 63.073 63.100 -0.268 0.000 0.776 228 P CB 0.164 31.788 31.700 -0.126 0.000 0.876 229 F N 0.024 119.745 119.950 -0.383 0.000 2.765 229 F HA 0.252 4.779 4.527 -0.000 0.000 0.302 229 F C 0.586 176.333 175.800 -0.089 0.000 1.111 229 F CA -0.232 57.627 58.000 -0.235 0.000 1.359 229 F CB -0.749 38.134 39.000 -0.195 0.000 1.097 229 F HN 0.049 nan 8.300 nan 0.000 0.577 230 F N 0.652 120.678 119.950 0.127 0.000 2.508 230 F HA 0.636 5.163 4.527 -0.001 0.000 0.325 230 F C -0.167 175.688 175.800 0.092 0.000 1.090 230 F CA -2.102 55.944 58.000 0.076 0.000 0.945 230 F CB 1.174 40.189 39.000 0.025 0.000 1.156 230 F HN -0.387 nan 8.300 nan 0.000 0.463 231 L N 2.658 124.079 121.223 0.330 0.000 2.401 231 L HA 0.470 4.809 4.340 -0.001 0.000 0.266 231 L C -0.290 176.742 176.870 0.269 0.000 0.991 231 L CA -1.124 53.868 54.840 0.252 0.000 0.818 231 L CB 1.901 44.082 42.059 0.204 0.000 1.321 231 L HN 0.469 nan 8.230 nan 0.000 0.413 232 N N 0.952 119.776 118.700 0.208 0.000 2.381 232 N HA 0.007 4.746 4.740 -0.001 0.000 0.241 232 N C 0.812 176.496 175.510 0.289 0.000 1.279 232 N CA -0.225 52.941 53.050 0.194 0.000 0.896 232 N CB 0.791 39.354 38.487 0.127 0.000 1.118 232 N HN 0.500 nan 8.380 nan 0.000 0.438 233 R N 1.483 122.174 120.500 0.318 0.000 2.096 233 R HA -0.151 4.188 4.340 -0.001 0.000 0.240 233 R C 0.653 177.066 176.300 0.188 0.000 1.139 233 R CA 1.835 58.145 56.100 0.351 0.000 0.952 233 R CB -0.624 29.827 30.300 0.251 0.000 0.854 233 R HN 0.566 nan 8.270 nan 0.000 0.436 234 D N -0.741 119.735 120.400 0.127 0.000 2.104 234 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 234 D C 1.899 178.259 176.300 0.101 0.000 0.994 234 D CA 1.788 55.839 54.000 0.085 0.000 0.830 234 D CB -0.183 40.655 40.800 0.063 0.000 0.959 234 D HN 0.118 nan 8.370 nan 0.000 0.452 235 V N 0.408 120.393 119.914 0.118 0.000 2.379 235 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 235 V C 2.214 178.381 176.094 0.121 0.000 1.044 235 V CA 1.281 63.647 62.300 0.110 0.000 1.036 235 V CB -0.392 31.497 31.823 0.110 0.000 0.664 235 V HN 0.155 nan 8.190 nan 0.000 0.453 236 M N 1.811 121.509 119.600 0.163 0.000 2.149 236 M HA -0.084 4.396 4.480 -0.001 0.000 0.261 236 M C 1.937 178.334 176.300 0.162 0.000 1.064 236 M CA 2.140 57.519 55.300 0.132 0.000 1.102 236 M CB -1.229 31.458 32.600 0.144 0.000 1.369 236 M HN 0.282 nan 8.290 nan 0.000 0.408 237 G N -0.839 108.133 108.800 0.287 0.000 2.479 237 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.220 237 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.220 237 G C 1.356 176.332 174.900 0.127 0.000 1.115 237 G CA 0.963 46.221 45.100 0.264 0.000 0.757 237 G HN 0.651 nan 8.290 nan 0.000 0.560 238 E N -0.544 119.707 120.200 0.085 0.000 2.385 238 E HA 0.047 4.396 4.350 -0.001 0.000 0.194 238 E C 2.208 178.834 176.600 0.044 0.000 1.013 238 E CA 0.777 57.204 56.400 0.046 0.000 0.866 238 E CB 0.347 30.072 29.700 0.042 0.000 0.832 238 E HN 0.492 nan 8.360 nan 0.000 0.500 239 V N -3.238 116.705 119.914 0.048 0.000 3.477 239 V HA 0.520 4.640 4.120 -0.001 0.000 0.297 239 V C 0.362 176.461 176.094 0.007 0.000 1.433 239 V CA -0.245 62.081 62.300 0.043 0.000 1.052 239 V CB 0.572 32.421 31.823 0.043 0.000 0.895 239 V HN 0.043 nan 8.190 nan 0.000 0.438 240 A N 0.267 123.069 122.820 -0.030 0.000 2.365 240 A HA 0.753 5.072 4.320 -0.001 0.000 0.318 240 A C -0.357 177.206 177.584 -0.035 0.000 1.091 240 A CA -0.709 51.253 52.037 -0.125 0.000 0.763 240 A CB 1.225 19.968 19.000 -0.428 0.000 1.248 240 A HN 0.472 nan 8.150 nan 0.000 0.442 241 Q N 0.752 120.536 119.800 -0.027 0.000 2.373 241 Q HA 0.161 4.500 4.340 -0.001 0.000 0.255 241 Q C 0.787 176.826 176.000 0.064 0.000 0.980 241 Q CA -0.490 55.337 55.803 0.041 0.000 0.882 241 Q CB 0.946 29.702 28.738 0.031 0.000 1.249 241 Q HN 0.719 nan 8.270 nan 0.000 0.438 242 L N 2.567 123.873 121.223 0.139 0.000 2.129 242 L HA -0.254 4.086 4.340 -0.001 0.000 0.212 242 L C 2.169 179.153 176.870 0.190 0.000 1.087 242 L CA 2.381 57.359 54.840 0.229 0.000 0.757 242 L CB -0.621 41.513 42.059 0.125 0.000 0.896 242 L HN 0.848 nan 8.230 nan 0.000 0.434 243 S N -1.884 113.870 115.700 0.090 0.000 2.423 243 S HA -0.231 4.238 4.470 -0.001 0.000 0.231 243 S C 1.807 176.421 174.600 0.024 0.000 1.014 243 S CA 1.021 59.254 58.200 0.056 0.000 0.965 243 S CB -0.555 62.662 63.200 0.028 0.000 0.785 243 S HN 0.660 nan 8.310 nan 0.000 0.495 244 Q N -0.152 119.626 119.800 -0.037 0.000 2.167 244 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 244 Q C 1.621 177.513 176.000 -0.180 0.000 0.970 244 Q CA 1.388 57.110 55.803 -0.135 0.000 0.855 244 Q CB -0.408 28.192 28.738 -0.230 0.000 0.911 244 Q HN 0.637 nan 8.270 nan 0.000 0.438 245 F N 0.996 120.896 119.950 -0.085 0.000 2.134 245 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 245 F C 1.931 177.711 175.800 -0.033 0.000 1.097 245 F CA 1.501 59.437 58.000 -0.106 0.000 1.264 245 F CB -0.261 38.654 39.000 -0.143 0.000 1.001 245 F HN 0.084 nan 8.300 nan 0.000 0.479 246 D N -0.430 120.063 120.400 0.155 0.000 2.097 246 D HA -0.123 4.517 4.640 -0.001 0.000 0.197 246 D C 1.880 178.205 176.300 0.041 0.000 0.984 246 D CA 1.385 55.440 54.000 0.091 0.000 0.826 246 D CB 0.054 40.897 40.800 0.071 0.000 0.973 246 D HN 0.289 nan 8.370 nan 0.000 0.460 247 E N -1.048 119.160 120.200 0.015 0.000 2.364 247 E HA 0.047 4.396 4.350 -0.001 0.000 0.196 247 E C 1.256 177.840 176.600 -0.026 0.000 0.990 247 E CA 0.392 56.790 56.400 -0.003 0.000 0.886 247 E CB 0.549 30.247 29.700 -0.004 0.000 0.866 247 E HN 0.120 nan 8.360 nan 0.000 0.493 248 E N -0.345 119.827 120.200 -0.046 0.000 2.444 248 E HA 0.177 4.526 4.350 -0.001 0.000 0.209 248 E C 0.126 176.681 176.600 -0.076 0.000 0.806 248 E CA 0.141 56.511 56.400 -0.050 0.000 1.240 248 E CB 0.870 30.551 29.700 -0.031 0.000 1.238 248 E HN 0.116 nan 8.360 nan 0.000 0.591 249 L N 2.218 123.402 121.223 -0.065 0.000 2.264 249 L HA 0.335 4.674 4.340 -0.001 0.000 0.289 249 L C -0.413 176.528 176.870 0.119 0.000 1.044 249 L CA -0.793 54.072 54.840 0.042 0.000 0.807 249 L CB 0.378 42.418 42.059 -0.031 0.000 1.192 249 L HN -0.057 nan 8.230 nan 0.000 0.425 250 Y N 2.055 122.458 120.300 0.172 0.000 2.411 250 Y HA 0.083 4.633 4.550 -0.001 0.000 0.333 250 Y C 0.669 176.638 175.900 0.116 0.000 1.186 250 Y CA 0.229 58.397 58.100 0.114 0.000 1.381 250 Y CB 0.479 38.958 38.460 0.031 0.000 1.273 250 Y HN 0.523 nan 8.280 nan 0.000 0.546 251 Q N 2.001 121.904 119.800 0.172 0.000 2.241 251 Q HA 0.585 4.925 4.340 -0.001 0.000 0.254 251 Q C -1.568 174.340 176.000 -0.152 0.000 0.917 251 Q CA -0.662 55.054 55.803 -0.146 0.000 0.919 251 Q CB 1.191 29.825 28.738 -0.173 0.000 1.237 251 Q HN 0.550 nan 8.270 nan 0.000 0.434 252 V N 3.013 122.753 119.914 -0.290 0.000 2.555 252 V HA 0.574 4.693 4.120 -0.001 0.000 0.302 252 V C -0.378 175.520 176.094 -0.327 0.000 1.038 252 V CA -0.360 61.753 62.300 -0.312 0.000 0.887 252 V CB 1.623 33.157 31.823 -0.481 0.000 0.991 252 V HN 0.966 nan 8.190 nan 0.000 0.434 253 S N 2.245 117.794 115.700 -0.251 0.000 2.720 253 S HA 0.964 5.434 4.470 -0.001 0.000 0.287 253 S C 0.376 174.874 174.600 -0.169 0.000 1.168 253 S CA 0.226 58.303 58.200 -0.206 0.000 0.832 253 S CB 2.009 65.118 63.200 -0.152 0.000 1.166 253 S HN 1.954 nan 8.310 nan 0.000 0.493 254 G N 0.543 109.265 108.800 -0.129 0.000 2.612 254 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.200 254 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.200 254 G C -0.409 174.441 174.900 -0.083 0.000 1.053 254 G CA 0.098 45.142 45.100 -0.093 0.000 0.707 254 G HN 1.029 nan 8.290 nan 0.000 0.497 255 D N 1.077 121.414 120.400 -0.105 0.000 2.467 255 D HA 0.547 5.187 4.640 -0.001 0.000 0.220 255 D C 1.196 177.449 176.300 -0.078 0.000 1.103 255 D CA 1.467 55.421 54.000 -0.078 0.000 0.886 255 D CB 0.108 40.866 40.800 -0.071 0.000 1.025 255 D HN 1.342 nan 8.370 nan 0.000 0.514 256 G N 3.976 112.742 108.800 -0.056 0.000 2.574 256 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.286 256 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.286 256 G C -0.175 174.688 174.900 -0.061 0.000 1.212 256 G CA -0.017 45.055 45.100 -0.046 0.000 0.979 256 G HN 0.579 nan 8.290 nan 0.000 0.557 257 D N 2.026 122.396 120.400 -0.050 0.000 2.399 257 D HA 0.440 5.080 4.640 -0.001 0.000 0.241 257 D C 1.052 177.295 176.300 -0.095 0.000 1.133 257 D CA 0.526 54.494 54.000 -0.053 0.000 0.890 257 D CB 0.700 41.486 40.800 -0.022 0.000 1.201 257 D HN 0.742 nan 8.370 nan 0.000 0.432 258 K N 1.048 121.384 120.400 -0.106 0.000 2.382 258 K HA 0.260 4.580 4.320 -0.001 0.000 0.275 258 K C -0.313 176.163 176.600 -0.207 0.000 1.009 258 K CA -0.027 56.150 56.287 -0.184 0.000 0.970 258 K CB 0.945 33.331 32.500 -0.190 0.000 0.934 258 K HN 0.225 nan 8.250 nan 0.000 0.479 259 K N 1.723 121.922 120.400 -0.336 0.000 2.399 259 K HA 0.364 4.684 4.320 -0.001 0.000 0.260 259 K C -1.385 174.921 176.600 -0.490 0.000 1.049 259 K CA -0.971 55.165 56.287 -0.251 0.000 0.890 259 K CB 1.319 33.694 32.500 -0.208 0.000 1.430 259 K HN 0.449 nan 8.250 nan 0.000 0.459 260 Y N 0.454 120.799 120.300 0.076 0.000 2.425 260 Y HA 0.367 4.917 4.550 -0.001 0.000 0.344 260 Y C -0.194 175.794 175.900 0.146 0.000 0.969 260 Y CA -0.985 57.183 58.100 0.114 0.000 1.052 260 Y CB 1.265 39.817 38.460 0.153 0.000 1.215 260 Y HN 0.206 nan 8.280 nan 0.000 0.451 261 L N 4.686 126.064 121.223 0.259 0.000 2.426 261 L HA 0.252 4.591 4.340 -0.001 0.000 0.271 261 L C 0.318 177.335 176.870 0.246 0.000 1.169 261 L CA -0.398 54.564 54.840 0.203 0.000 0.836 261 L CB 0.356 42.370 42.059 -0.074 0.000 1.112 261 L HN 0.573 nan 8.230 nan 0.000 0.465 262 I N 0.075 120.781 120.570 0.226 0.000 2.588 262 I HA 0.250 4.420 4.170 -0.001 0.000 0.283 262 I C 1.007 177.200 176.117 0.127 0.000 1.119 262 I CA -0.178 61.206 61.300 0.140 0.000 1.419 262 I CB 1.175 39.219 38.000 0.074 0.000 1.394 262 I HN 0.702 nan 8.210 nan 0.000 0.562 263 A N 4.105 126.952 122.820 0.046 0.000 2.132 263 A HA 0.218 4.538 4.320 -0.001 0.000 0.213 263 A C 1.034 178.572 177.584 -0.077 0.000 1.154 263 A CA 1.031 53.076 52.037 0.013 0.000 0.753 263 A CB -0.094 18.916 19.000 0.016 0.000 0.826 263 A HN 0.897 nan 8.150 nan 0.000 0.469 264 T N -2.449 112.054 114.554 -0.086 0.000 2.977 264 T HA 0.287 4.636 4.350 -0.001 0.000 0.345 264 T C 0.767 175.409 174.700 -0.096 0.000 1.562 264 T CA 0.328 62.366 62.100 -0.104 0.000 1.090 264 T CB 0.813 69.661 68.868 -0.034 0.000 1.383 264 T HN 0.458 nan 8.240 nan 0.000 0.484 265 S N 1.784 117.418 115.700 -0.110 0.000 2.469 265 S HA -0.092 4.377 4.470 -0.001 0.000 0.238 265 S C 1.557 176.073 174.600 -0.140 0.000 0.998 265 S CA 1.349 59.485 58.200 -0.106 0.000 0.957 265 S CB -0.480 62.671 63.200 -0.082 0.000 0.764 265 S HN 0.820 nan 8.310 nan 0.000 0.514 266 E N 1.382 121.552 120.200 -0.050 0.000 2.118 266 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 266 E C 1.886 178.450 176.600 -0.059 0.000 0.992 266 E CA 1.430 57.847 56.400 0.028 0.000 0.804 266 E CB -0.297 29.502 29.700 0.165 0.000 0.741 266 E HN 0.654 nan 8.360 nan 0.000 0.458 267 M N 0.685 120.257 119.600 -0.046 0.000 2.066 267 M HA -0.106 4.374 4.480 -0.001 0.000 0.259 267 M C -0.721 175.540 176.300 -0.065 0.000 1.074 267 M CA 2.197 57.477 55.300 -0.034 0.000 1.114 267 M CB -1.054 31.534 32.600 -0.020 0.000 1.306 267 M HN 0.123 nan 8.290 nan 0.000 0.411 268 P HA -0.071 nan 4.420 nan 0.000 0.221 268 P C 1.409 178.595 177.300 -0.190 0.000 1.150 268 P CA 1.425 64.495 63.100 -0.051 0.000 0.800 268 P CB -0.261 31.445 31.700 0.011 0.000 0.787 269 I N 0.128 120.396 120.570 -0.502 0.000 2.252 269 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 269 I C 2.608 178.345 176.117 -0.632 0.000 1.102 269 I CA 1.381 62.096 61.300 -0.975 0.000 1.385 269 I CB -0.798 36.312 38.000 -1.484 0.000 1.064 269 I HN -0.087 nan 8.210 nan 0.000 0.414 270 A N 0.799 123.317 122.820 -0.503 0.000 1.873 270 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 270 A C 2.545 180.183 177.584 0.090 0.000 1.186 270 A CA 1.709 53.700 52.037 -0.078 0.000 0.616 270 A CB -0.856 18.214 19.000 0.117 0.000 0.823 270 A HN 0.405 nan 8.150 nan 0.000 0.442 271 A N -1.769 121.079 122.820 0.047 0.000 1.972 271 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 271 A C 2.062 179.721 177.584 0.125 0.000 1.169 271 A CA 1.616 53.707 52.037 0.090 0.000 0.635 271 A CB -0.780 18.268 19.000 0.080 0.000 0.810 271 A HN 0.694 nan 8.150 nan 0.000 0.446 272 Y N 0.381 120.656 120.300 -0.042 0.000 2.403 272 Y HA -0.201 4.349 4.550 -0.001 0.000 0.291 272 Y C 1.698 177.496 175.900 -0.170 0.000 1.143 272 Y CA 1.921 59.966 58.100 -0.091 0.000 1.257 272 Y CB -0.381 37.992 38.460 -0.144 0.000 0.984 272 Y HN 0.566 nan 8.280 nan 0.000 0.550 273 H N -0.036 119.063 119.070 0.049 0.000 2.529 273 H HA 0.172 4.727 4.556 -0.001 0.000 0.277 273 H C 0.393 175.768 175.328 0.078 0.000 1.004 273 H CA -0.097 56.007 56.048 0.093 0.000 1.167 273 H CB -0.100 29.802 29.762 0.234 0.000 1.445 273 H HN 0.168 nan 8.280 nan 0.000 0.554 274 R N 0.400 120.960 120.500 0.100 0.000 2.537 274 R HA 0.213 4.553 4.340 -0.001 0.000 0.280 274 R C 0.665 176.998 176.300 0.055 0.000 1.058 274 R CA 0.708 56.860 56.100 0.088 0.000 1.057 274 R CB 0.248 30.589 30.300 0.067 0.000 0.973 274 R HN 0.314 nan 8.270 nan 0.000 0.438 275 G N 2.141 110.988 108.800 0.079 0.000 2.168 275 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.263 275 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.263 275 G C 0.121 175.059 174.900 0.064 0.000 0.977 275 G CA 0.486 45.629 45.100 0.071 0.000 0.659 275 G HN 0.692 nan 8.290 nan 0.000 0.533 276 R N -1.409 119.124 120.500 0.055 0.000 2.546 276 R HA 0.577 4.917 4.340 -0.001 0.000 0.266 276 R C -0.561 175.758 176.300 0.032 0.000 1.086 276 R CA -0.439 55.643 56.100 -0.029 0.000 1.160 276 R CB 0.831 31.068 30.300 -0.105 0.000 1.138 276 R HN 0.226 nan 8.270 nan 0.000 0.567 277 W N 2.398 123.481 121.300 -0.362 0.000 3.089 277 W HA 0.292 4.952 4.660 -0.000 0.000 0.333 277 W C -2.164 174.121 176.519 -0.391 0.000 1.053 277 W CA -1.319 55.889 57.345 -0.228 0.000 1.257 277 W CB 0.735 30.109 29.460 -0.144 0.000 1.281 277 W HN 0.420 nan 8.180 nan 0.000 0.427 278 F N 4.251 124.417 119.950 0.359 0.000 2.361 278 F HA 0.176 4.703 4.527 -0.000 0.000 0.364 278 F C 1.927 177.778 175.800 0.085 0.000 1.120 278 F CA -0.061 58.070 58.000 0.219 0.000 1.102 278 F CB 1.414 40.541 39.000 0.211 0.000 1.183 278 F HN 0.251 nan 8.300 nan 0.000 0.476 279 T N -0.949 113.703 114.554 0.164 0.000 2.867 279 T HA -0.064 4.286 4.350 -0.001 0.000 0.268 279 T C 0.275 174.828 174.700 -0.245 0.000 1.057 279 T CA 1.091 63.178 62.100 -0.022 0.000 1.136 279 T CB -0.365 68.479 68.868 -0.040 0.000 0.874 279 T HN 0.695 nan 8.240 nan 0.000 0.466 280 E N -0.272 119.877 120.200 -0.085 0.000 2.407 280 E HA 0.543 4.893 4.350 -0.001 0.000 0.279 280 E C -1.744 174.960 176.600 0.174 0.000 1.012 280 E CA -1.133 55.248 56.400 -0.032 0.000 0.800 280 E CB 1.108 30.821 29.700 0.023 0.000 1.276 280 E HN 0.162 nan 8.360 nan 0.000 0.452 281 L N 2.658 124.045 121.223 0.273 0.000 2.502 281 L HA 0.332 4.671 4.340 -0.001 0.000 0.249 281 L C 0.803 177.739 176.870 0.110 0.000 1.446 281 L CA -0.473 54.463 54.840 0.161 0.000 0.887 281 L CB 0.673 42.806 42.059 0.124 0.000 1.126 281 L HN 0.601 nan 8.230 nan 0.000 0.509 282 K N -0.024 120.428 120.400 0.086 0.000 2.147 282 K HA -0.043 4.276 4.320 -0.001 0.000 0.205 282 K C 0.246 176.867 176.600 0.035 0.000 1.049 282 K CA 0.912 57.236 56.287 0.061 0.000 0.936 282 K CB 0.253 32.782 32.500 0.049 0.000 0.722 282 K HN 0.378 nan 8.250 nan 0.000 0.446 283 E N 0.787 120.994 120.200 0.012 0.000 2.195 283 E HA 0.261 4.611 4.350 -0.001 0.000 0.271 283 E C -2.437 174.117 176.600 -0.076 0.000 0.923 283 E CA -2.600 53.786 56.400 -0.025 0.000 0.790 283 E CB 1.332 31.009 29.700 -0.039 0.000 1.155 283 E HN -0.011 nan 8.360 nan 0.000 0.402 284 P HA 0.151 nan 4.420 nan 0.000 0.272 284 P C -0.205 176.920 177.300 -0.292 0.000 1.230 284 P CA -0.254 62.688 63.100 -0.264 0.000 0.788 284 P CB 0.777 32.177 31.700 -0.501 0.000 0.949 285 L N 1.814 122.842 121.223 -0.325 0.000 2.290 285 L HA 0.337 4.676 4.340 -0.001 0.000 0.284 285 L C 0.905 177.478 176.870 -0.495 0.000 1.078 285 L CA -0.072 54.535 54.840 -0.388 0.000 0.815 285 L CB 0.081 41.974 42.059 -0.277 0.000 1.162 285 L HN 0.226 nan 8.230 nan 0.000 0.435 286 K N 4.319 124.352 120.400 -0.612 0.000 2.413 286 K HA 0.517 4.837 4.320 -0.001 0.000 0.257 286 K C -1.587 174.751 176.600 -0.436 0.000 0.946 286 K CA -0.719 55.227 56.287 -0.568 0.000 0.823 286 K CB 2.036 34.011 32.500 -0.874 0.000 1.109 286 K HN 0.270 nan 8.250 nan 0.000 0.427 287 Y N 0.128 120.539 120.300 0.185 0.000 2.393 287 Y HA 0.404 4.954 4.550 -0.001 0.000 0.341 287 Y C 0.094 176.212 175.900 0.363 0.000 0.988 287 Y CA -1.091 57.166 58.100 0.262 0.000 1.078 287 Y CB 2.062 40.603 38.460 0.136 0.000 1.203 287 Y HN 0.621 nan 8.280 nan 0.000 0.453 288 A N 2.440 125.529 122.820 0.449 0.000 2.621 288 A HA 0.562 4.882 4.320 -0.001 0.000 0.329 288 A C 0.564 178.279 177.584 0.218 0.000 1.458 288 A CA -0.298 51.879 52.037 0.234 0.000 1.052 288 A CB -0.809 18.273 19.000 0.136 0.000 1.142 288 A HN 0.916 nan 8.150 nan 0.000 0.523 289 G N 2.310 111.205 108.800 0.159 0.000 2.361 289 G HA2 0.476 4.436 3.960 -0.001 0.000 0.260 289 G HA3 0.476 4.436 3.960 -0.001 0.000 0.260 289 G C -0.111 174.846 174.900 0.094 0.000 1.261 289 G CA -0.264 44.905 45.100 0.115 0.000 0.897 289 G HN 0.642 nan 8.290 nan 0.000 0.499 290 M N 2.723 122.415 119.600 0.153 0.000 2.134 290 M HA 0.438 4.918 4.480 -0.001 0.000 0.310 290 M C -0.268 176.136 176.300 0.172 0.000 0.966 290 M CA -0.541 54.848 55.300 0.148 0.000 0.922 290 M CB 2.042 34.767 32.600 0.209 0.000 1.537 290 M HN 0.691 nan 8.290 nan 0.000 0.424 291 S N 1.383 117.099 115.700 0.027 0.000 2.611 291 S HA 0.567 5.037 4.470 -0.001 0.000 0.268 291 S C -0.690 173.693 174.600 -0.362 0.000 1.156 291 S CA -0.853 57.276 58.200 -0.119 0.000 0.817 291 S CB 1.752 64.765 63.200 -0.312 0.000 1.122 291 S HN 0.509 nan 8.310 nan 0.000 0.466 292 T N 1.552 115.671 114.554 -0.724 0.000 2.907 292 T HA 0.519 4.869 4.350 -0.001 0.000 0.298 292 T C -0.256 173.789 174.700 -1.092 0.000 1.017 292 T CA -0.195 61.394 62.100 -0.850 0.000 1.118 292 T CB -0.077 68.339 68.868 -0.752 0.000 0.948 292 T HN 0.779 nan 8.240 nan 0.000 0.531 293 C N 3.118 121.705 119.300 -1.188 0.000 2.456 293 C HA 0.711 5.170 4.460 -0.001 0.000 0.325 293 C C -0.557 173.795 174.990 -1.062 0.000 1.217 293 C CA -0.991 57.396 59.018 -1.052 0.000 1.687 293 C CB -0.286 26.638 27.740 -1.360 0.000 2.270 293 C HN 0.825 nan 8.230 nan 0.000 0.499 294 F N 2.273 122.087 119.950 -0.227 0.000 2.477 294 F HA 0.628 5.154 4.527 -0.001 0.000 0.335 294 F C 0.568 176.505 175.800 0.227 0.000 1.130 294 F CA -0.577 57.461 58.000 0.064 0.000 0.948 294 F CB 1.055 40.119 39.000 0.106 0.000 1.154 294 F HN 0.332 nan 8.300 nan 0.000 0.439 295 R N 2.766 123.573 120.500 0.512 0.000 2.538 295 R HA 0.325 4.664 4.340 -0.001 0.000 0.292 295 R C 0.338 176.851 176.300 0.355 0.000 1.008 295 R CA -0.876 55.435 56.100 0.352 0.000 0.896 295 R CB 2.495 32.982 30.300 0.311 0.000 1.187 295 R HN 0.669 nan 8.270 nan 0.000 0.440 296 K N 1.315 121.671 120.400 -0.073 0.000 2.211 296 K HA -0.090 4.230 4.320 -0.001 0.000 0.203 296 K C -0.229 176.473 176.600 0.171 0.000 1.050 296 K CA 0.642 56.783 56.287 -0.244 0.000 0.945 296 K CB 0.197 32.427 32.500 -0.450 0.000 0.732 296 K HN 0.536 nan 8.250 nan 0.000 0.451 297 E N -0.990 119.305 120.200 0.159 0.000 2.269 297 E HA -0.250 4.100 4.350 -0.001 0.000 0.223 297 E C 0.643 177.310 176.600 0.111 0.000 1.244 297 E CA 0.629 57.108 56.400 0.131 0.000 0.713 297 E CB -1.630 28.149 29.700 0.132 0.000 1.178 297 E HN 0.473 nan 8.360 nan 0.000 0.370 298 A N 0.096 122.954 122.820 0.063 0.000 1.933 298 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 298 A C 2.356 179.963 177.584 0.037 0.000 1.175 298 A CA 2.005 54.085 52.037 0.072 0.000 0.628 298 A CB -0.504 18.520 19.000 0.040 0.000 0.814 298 A HN 0.486 nan 8.150 nan 0.000 0.444 299 G N -0.341 108.442 108.800 -0.027 0.000 2.422 299 G HA2 0.139 4.099 3.960 -0.001 0.000 0.218 299 G HA3 0.139 4.099 3.960 -0.001 0.000 0.218 299 G C 0.982 175.779 174.900 -0.172 0.000 1.146 299 G CA 0.814 45.838 45.100 -0.127 0.000 0.769 299 G HN 0.981 nan 8.290 nan 0.000 0.547 300 A N 0.439 123.235 122.820 -0.039 0.000 2.981 300 A HA 0.427 4.746 4.320 -0.001 0.000 0.280 300 A C 0.955 178.598 177.584 0.098 0.000 1.743 300 A CA -0.170 51.869 52.037 0.003 0.000 1.430 300 A CB -0.711 18.303 19.000 0.025 0.000 1.085 300 A HN 0.613 nan 8.150 nan 0.000 0.597 301 H N 1.732 120.822 119.070 0.033 0.000 2.293 301 H HA -0.033 4.523 4.556 -0.001 0.000 0.300 301 H C 1.628 176.976 175.328 0.032 0.000 1.082 301 H CA 0.916 56.986 56.048 0.036 0.000 1.308 301 H CB 0.461 30.239 29.762 0.027 0.000 1.375 301 H HN 0.654 nan 8.280 nan 0.000 0.495 302 G N -0.851 108.041 108.800 0.154 0.000 5.077 302 G HA2 0.143 4.102 3.960 -0.001 0.000 0.230 302 G HA3 0.143 4.102 3.960 -0.001 0.000 0.230 302 G C 0.563 175.489 174.900 0.044 0.000 0.924 302 G CA -0.438 44.711 45.100 0.083 0.000 0.770 302 G HN 0.103 nan 8.290 nan 0.000 0.512 303 R N 0.005 120.526 120.500 0.035 0.000 2.089 303 R HA 0.024 4.364 4.340 -0.001 0.000 0.222 303 R C 1.209 177.508 176.300 -0.002 0.000 1.151 303 R CA 1.468 57.574 56.100 0.009 0.000 0.908 303 R CB -0.037 30.268 30.300 0.007 0.000 0.813 303 R HN 0.278 nan 8.270 nan 0.000 0.440 304 D N -1.116 119.290 120.400 0.011 0.000 2.267 304 D HA 0.034 4.674 4.640 -0.001 0.000 0.258 304 D C 0.553 176.860 176.300 0.011 0.000 1.207 304 D CA 1.567 55.570 54.000 0.005 0.000 0.954 304 D CB 0.157 40.987 40.800 0.050 0.000 0.975 304 D HN 0.202 nan 8.370 nan 0.000 0.371 305 T N -0.470 114.099 114.554 0.025 0.000 6.424 305 T HA -0.212 4.138 4.350 -0.001 0.000 0.279 305 T C 0.141 174.858 174.700 0.027 0.000 2.176 305 T CA 0.444 62.562 62.100 0.029 0.000 3.628 305 T CB -1.103 67.783 68.868 0.031 0.000 1.165 305 T HN -0.001 nan 8.240 nan 0.000 1.080 306 L N 2.002 123.238 121.223 0.021 0.000 2.277 306 L HA 0.648 4.988 4.340 -0.001 0.000 0.284 306 L C 1.138 178.050 176.870 0.069 0.000 1.028 306 L CA 1.370 56.214 54.840 0.008 0.000 0.835 306 L CB 0.778 42.805 42.059 -0.053 0.000 1.215 306 L HN 0.632 nan 8.230 nan 0.000 0.425 307 G N 3.419 112.256 108.800 0.063 0.000 2.584 307 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.229 307 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.229 307 G C 0.369 175.289 174.900 0.033 0.000 1.320 307 G CA -0.029 45.132 45.100 0.102 0.000 0.891 307 G HN 0.958 nan 8.290 nan 0.000 0.573 308 I N -2.610 117.950 120.570 -0.016 0.000 3.889 308 I HA 0.588 4.758 4.170 -0.001 0.000 0.332 308 I C 1.601 177.604 176.117 -0.190 0.000 1.493 308 I CA 0.158 61.300 61.300 -0.264 0.000 1.158 308 I CB -0.110 37.572 38.000 -0.530 0.000 1.117 308 I HN 0.394 nan 8.210 nan 0.000 0.411 309 F N 2.478 122.315 119.950 -0.188 0.000 2.163 309 F HA 0.173 4.700 4.527 -0.001 0.000 0.297 309 F C 1.325 176.970 175.800 -0.258 0.000 1.094 309 F CA 0.784 58.630 58.000 -0.257 0.000 1.290 309 F CB 0.333 39.180 39.000 -0.256 0.000 1.017 309 F HN 0.057 nan 8.300 nan 0.000 0.483 310 R N 1.294 121.745 120.500 -0.082 0.000 2.467 310 R HA 0.496 4.836 4.340 -0.001 0.000 0.299 310 R C -1.756 174.459 176.300 -0.141 0.000 1.120 310 R CA -0.427 55.575 56.100 -0.164 0.000 0.940 310 R CB 1.242 31.540 30.300 -0.003 0.000 1.161 310 R HN 0.057 nan 8.270 nan 0.000 0.506 311 V N -0.058 119.762 119.914 -0.157 0.000 3.141 311 V HA 0.459 4.579 4.120 -0.001 0.000 0.312 311 V C 0.506 176.642 176.094 0.070 0.000 1.157 311 V CA -0.838 61.435 62.300 -0.045 0.000 1.041 311 V CB 2.020 33.903 31.823 0.099 0.000 1.071 311 V HN 0.706 nan 8.190 nan 0.000 0.441 312 H N -0.037 119.221 119.070 0.313 0.000 2.535 312 H HA 0.251 4.807 4.556 -0.001 0.000 0.273 312 H C 0.473 175.993 175.328 0.320 0.000 0.983 312 H CA 1.046 57.309 56.048 0.358 0.000 1.238 312 H CB 0.721 30.720 29.762 0.394 0.000 1.412 312 H HN 0.738 nan 8.280 nan 0.000 0.562 313 Q N 0.415 120.449 119.800 0.390 0.000 2.263 313 Q HA 0.391 4.730 4.340 -0.001 0.000 0.266 313 Q C -1.787 174.344 176.000 0.218 0.000 1.002 313 Q CA -0.770 55.063 55.803 0.050 0.000 0.790 313 Q CB 1.443 30.178 28.738 -0.004 0.000 1.272 313 Q HN 0.100 nan 8.270 nan 0.000 0.435 314 F N 0.126 119.968 119.950 -0.179 0.000 2.665 314 F HA 0.509 5.036 4.527 -0.000 0.000 0.308 314 F C -1.123 174.569 175.800 -0.180 0.000 1.112 314 F CA -1.205 56.738 58.000 -0.095 0.000 0.972 314 F CB 0.963 39.913 39.000 -0.084 0.000 1.295 314 F HN 0.220 nan 8.300 nan 0.000 0.440 315 D N 2.293 122.700 120.400 0.011 0.000 2.382 315 D HA 0.297 4.937 4.640 -0.001 0.000 0.245 315 D C -0.817 175.497 176.300 0.023 0.000 1.120 315 D CA 0.110 54.073 54.000 -0.062 0.000 0.890 315 D CB 1.881 42.691 40.800 0.016 0.000 1.201 315 D HN 0.684 nan 8.370 nan 0.000 0.433 316 K N 1.751 122.109 120.400 -0.069 0.000 2.523 316 K HA 0.354 4.673 4.320 -0.001 0.000 0.257 316 K C -1.479 175.088 176.600 -0.055 0.000 0.932 316 K CA -0.690 55.586 56.287 -0.018 0.000 0.812 316 K CB 1.527 34.034 32.500 0.012 0.000 1.326 316 K HN 0.206 nan 8.250 nan 0.000 0.433 317 I N 3.127 123.650 120.570 -0.078 0.000 2.354 317 I HA 0.317 4.487 4.170 -0.001 0.000 0.292 317 I C -0.322 175.722 176.117 -0.122 0.000 0.989 317 I CA -0.485 60.755 61.300 -0.099 0.000 1.188 317 I CB 1.259 39.165 38.000 -0.157 0.000 1.342 317 I HN 0.706 nan 8.210 nan 0.000 0.457 318 E N 5.203 125.363 120.200 -0.067 0.000 2.238 318 E HA 0.391 4.741 4.350 -0.001 0.000 0.267 318 E C -1.140 175.460 176.600 -0.001 0.000 0.887 318 E CA -0.569 55.810 56.400 -0.036 0.000 0.769 318 E CB 1.558 31.266 29.700 0.013 0.000 1.187 318 E HN 0.441 nan 8.360 nan 0.000 0.416 319 Q N 2.760 122.558 119.800 -0.004 0.000 2.256 319 Q HA 0.419 4.759 4.340 -0.001 0.000 0.254 319 Q C -1.051 175.086 176.000 0.228 0.000 0.916 319 Q CA -0.375 55.493 55.803 0.108 0.000 0.932 319 Q CB 1.276 30.047 28.738 0.056 0.000 1.207 319 Q HN 0.477 nan 8.270 nan 0.000 0.426 320 F N 2.213 122.272 119.950 0.181 0.000 2.539 320 F HA 0.479 5.005 4.527 -0.000 0.000 0.318 320 F C -1.348 174.505 175.800 0.089 0.000 1.135 320 F CA -0.865 57.196 58.000 0.101 0.000 0.915 320 F CB 1.377 40.415 39.000 0.063 0.000 1.176 320 F HN 0.242 nan 8.300 nan 0.000 0.440 321 V N 6.331 126.098 119.914 -0.244 0.000 2.540 321 V HA 0.532 4.652 4.120 -0.001 0.000 0.302 321 V C -0.934 174.984 176.094 -0.293 0.000 1.035 321 V CA -0.847 61.305 62.300 -0.246 0.000 0.873 321 V CB 1.794 33.411 31.823 -0.345 0.000 0.992 321 V HN 0.529 nan 8.190 nan 0.000 0.428 322 V N 4.388 124.190 119.914 -0.188 0.000 2.417 322 V HA 0.660 4.780 4.120 -0.001 0.000 0.291 322 V C 0.006 175.948 176.094 -0.254 0.000 1.024 322 V CA -0.412 61.769 62.300 -0.199 0.000 0.861 322 V CB 1.368 33.062 31.823 -0.214 0.000 0.985 322 V HN 1.152 nan 8.190 nan 0.000 0.436 323 C N 1.924 121.102 119.300 -0.202 0.000 3.236 323 C HA 0.816 5.276 4.460 -0.001 0.000 0.312 323 C C 0.393 175.258 174.990 -0.209 0.000 1.374 323 C CA -0.936 57.973 59.018 -0.180 0.000 1.455 323 C CB 1.369 29.030 27.740 -0.131 0.000 1.834 323 C HN 0.803 nan 8.230 nan 0.000 0.460 324 S N 2.061 117.616 115.700 -0.241 0.000 2.558 324 S HA 0.232 4.701 4.470 -0.001 0.000 0.293 324 S C -0.933 173.254 174.600 -0.688 0.000 1.292 324 S CA -0.053 57.791 58.200 -0.593 0.000 1.063 324 S CB 0.470 63.452 63.200 -0.363 0.000 0.831 324 S HN 0.781 nan 8.310 nan 0.000 0.499 325 P HA 0.068 nan 4.420 nan 0.000 0.245 325 P C -0.115 176.811 177.300 -0.624 0.000 1.212 325 P CA 0.341 62.786 63.100 -1.091 0.000 0.774 325 P CB 0.159 31.459 31.700 -0.667 0.000 0.999 326 R N 0.270 120.516 120.500 -0.424 0.000 2.536 326 R HA 0.275 4.615 4.340 -0.001 0.000 0.279 326 R C 0.569 176.808 176.300 -0.102 0.000 1.001 326 R CA -0.641 55.347 56.100 -0.187 0.000 1.027 326 R CB 0.473 30.709 30.300 -0.107 0.000 1.096 326 R HN -0.109 nan 8.270 nan 0.000 0.502 327 Q N 1.309 121.094 119.800 -0.026 0.000 2.480 327 Q HA -0.249 4.091 4.340 -0.001 0.000 0.265 327 Q C -0.716 175.309 176.000 0.042 0.000 1.072 327 Q CA 1.326 57.135 55.803 0.010 0.000 1.018 327 Q CB -1.608 27.131 28.738 0.000 0.000 1.433 327 Q HN 0.955 nan 8.270 nan 0.000 0.513 328 E N -1.165 119.088 120.200 0.089 0.000 2.539 328 E HA -0.316 4.034 4.350 -0.001 0.000 0.253 328 E C 0.843 177.524 176.600 0.134 0.000 1.145 328 E CA 0.988 57.530 56.400 0.237 0.000 0.738 328 E CB -0.867 29.024 29.700 0.318 0.000 1.308 328 E HN 0.717 nan 8.360 nan 0.000 0.409 329 E N 0.852 121.044 120.200 -0.014 0.000 2.085 329 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 329 E C 2.018 178.540 176.600 -0.130 0.000 0.994 329 E CA 1.758 58.097 56.400 -0.103 0.000 0.801 329 E CB 0.016 29.657 29.700 -0.099 0.000 0.743 329 E HN 0.428 nan 8.360 nan 0.000 0.453 330 S N -0.359 115.283 115.700 -0.097 0.000 2.400 330 S HA -0.193 4.277 4.470 -0.001 0.000 0.232 330 S C 1.686 176.085 174.600 -0.336 0.000 1.025 330 S CA 1.140 59.234 58.200 -0.178 0.000 0.993 330 S CB -1.005 62.073 63.200 -0.205 0.000 0.808 330 S HN 0.515 nan 8.310 nan 0.000 0.478 331 W N 1.923 123.217 121.300 -0.010 0.000 2.402 331 W HA 0.182 4.842 4.660 -0.000 0.000 0.286 331 W C 2.957 179.435 176.519 -0.069 0.000 1.221 331 W CA 0.346 57.653 57.345 -0.063 0.000 1.257 331 W CB -0.139 29.285 29.460 -0.060 0.000 1.120 331 W HN 0.233 nan 8.180 nan 0.000 0.551 332 R N -0.793 119.728 120.500 0.036 0.000 2.090 332 R HA -0.107 4.233 4.340 -0.001 0.000 0.228 332 R C 1.955 178.180 176.300 -0.125 0.000 1.110 332 R CA 1.205 57.260 56.100 -0.074 0.000 0.973 332 R CB -0.603 29.585 30.300 -0.186 0.000 0.869 332 R HN 0.291 nan 8.270 nan 0.000 0.440 333 H N 0.454 119.509 119.070 -0.025 0.000 2.389 333 H HA -0.107 4.449 4.556 -0.001 0.000 0.299 333 H C 2.063 177.375 175.328 -0.027 0.000 1.081 333 H CA 1.035 57.053 56.048 -0.051 0.000 1.345 333 H CB -0.182 29.513 29.762 -0.112 0.000 1.393 333 H HN 0.087 nan 8.280 nan 0.000 0.520 334 L N 1.628 122.891 121.223 0.066 0.000 2.042 334 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 334 L C 2.107 179.071 176.870 0.157 0.000 1.076 334 L CA 1.712 56.604 54.840 0.087 0.000 0.749 334 L CB -0.350 41.757 42.059 0.079 0.000 0.893 334 L HN 0.028 nan 8.230 nan 0.000 0.432 335 E N -0.104 120.185 120.200 0.148 0.000 2.077 335 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 335 E C 1.942 178.574 176.600 0.053 0.000 0.989 335 E CA 1.379 57.838 56.400 0.098 0.000 0.800 335 E CB -0.426 29.325 29.700 0.085 0.000 0.746 335 E HN 0.585 nan 8.360 nan 0.000 0.452 336 D N 0.192 120.635 120.400 0.071 0.000 2.144 336 D HA -0.099 4.540 4.640 -0.001 0.000 0.199 336 D C 2.044 178.403 176.300 0.098 0.000 0.984 336 D CA 0.906 54.956 54.000 0.083 0.000 0.834 336 D CB -0.200 40.669 40.800 0.115 0.000 0.955 336 D HN 0.192 nan 8.370 nan 0.000 0.465 337 M N -0.295 119.368 119.600 0.106 0.000 2.099 337 M HA -0.102 4.378 4.480 -0.001 0.000 0.262 337 M C 2.144 178.470 176.300 0.043 0.000 1.067 337 M CA 0.754 56.114 55.300 0.099 0.000 1.124 337 M CB -0.104 32.547 32.600 0.085 0.000 1.353 337 M HN -0.024 nan 8.290 nan 0.000 0.410 338 I N 0.398 120.980 120.570 0.021 0.000 2.226 338 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 338 I C 2.157 178.231 176.117 -0.070 0.000 1.100 338 I CA 1.819 63.084 61.300 -0.057 0.000 1.374 338 I CB -0.519 37.364 38.000 -0.194 0.000 1.057 338 I HN 0.231 nan 8.210 nan 0.000 0.413 339 T N -0.053 114.479 114.554 -0.036 0.000 2.720 339 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 339 T C 1.801 176.527 174.700 0.043 0.000 1.037 339 T CA 2.090 64.187 62.100 -0.004 0.000 1.144 339 T CB -0.545 68.332 68.868 0.015 0.000 0.864 339 T HN 0.422 nan 8.240 nan 0.000 0.444 340 T N 1.831 116.430 114.554 0.075 0.000 2.684 340 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 340 T C 2.409 177.189 174.700 0.134 0.000 1.036 340 T CA 1.535 63.726 62.100 0.152 0.000 1.148 340 T CB -0.432 68.521 68.868 0.140 0.000 0.863 340 T HN 0.325 nan 8.240 nan 0.000 0.436 341 S N 1.049 116.747 115.700 -0.003 0.000 2.382 341 S HA -0.094 4.376 4.470 -0.001 0.000 0.228 341 S C 2.071 176.609 174.600 -0.104 0.000 1.027 341 S CA 0.941 59.090 58.200 -0.084 0.000 0.991 341 S CB -0.252 62.872 63.200 -0.127 0.000 0.823 341 S HN 0.582 nan 8.310 nan 0.000 0.469 342 E N 1.117 121.235 120.200 -0.137 0.000 2.031 342 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 342 E C 2.139 178.696 176.600 -0.072 0.000 0.994 342 E CA 1.103 57.377 56.400 -0.210 0.000 0.800 342 E CB -0.161 29.494 29.700 -0.075 0.000 0.752 342 E HN 0.568 nan 8.360 nan 0.000 0.447 343 E N 0.132 120.362 120.200 0.049 0.000 2.110 343 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 343 E C 1.834 178.524 176.600 0.150 0.000 0.988 343 E CA 0.771 57.253 56.400 0.138 0.000 0.804 343 E CB -0.175 29.685 29.700 0.267 0.000 0.745 343 E HN 0.184 nan 8.360 nan 0.000 0.458 344 F N 2.372 122.228 119.950 -0.156 0.000 2.069 344 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 344 F C 1.931 177.570 175.800 -0.268 0.000 1.113 344 F CA 1.535 59.174 58.000 -0.602 0.000 1.214 344 F CB -0.151 38.336 39.000 -0.856 0.000 0.978 344 F HN -0.060 nan 8.300 nan 0.000 0.474 345 N N 0.604 119.249 118.700 -0.092 0.000 2.166 345 N HA -0.174 4.566 4.740 -0.001 0.000 0.186 345 N C 1.759 177.239 175.510 -0.049 0.000 1.019 345 N CA 1.365 54.370 53.050 -0.076 0.000 0.856 345 N CB -0.281 38.190 38.487 -0.027 0.000 0.993 345 N HN 0.435 nan 8.380 nan 0.000 0.426 346 K N 0.876 121.177 120.400 -0.165 0.000 2.103 346 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 346 K C 2.320 178.876 176.600 -0.074 0.000 1.048 346 K CA 1.463 57.543 56.287 -0.345 0.000 0.930 346 K CB -0.162 32.013 32.500 -0.541 0.000 0.716 346 K HN 0.209 nan 8.250 nan 0.000 0.444 347 S N 1.180 116.830 115.700 -0.082 0.000 2.402 347 S HA -0.080 4.389 4.470 -0.001 0.000 0.229 347 S C 1.895 176.430 174.600 -0.110 0.000 1.021 347 S CA 0.825 59.001 58.200 -0.040 0.000 0.974 347 S CB -0.369 62.861 63.200 0.051 0.000 0.800 347 S HN 0.220 nan 8.310 nan 0.000 0.484 348 L N 0.861 121.968 121.223 -0.192 0.000 2.492 348 L HA 0.282 4.622 4.340 -0.001 0.000 0.223 348 L C 1.797 178.739 176.870 0.121 0.000 1.132 348 L CA 0.368 55.120 54.840 -0.147 0.000 0.850 348 L CB -0.858 41.049 42.059 -0.253 0.000 0.966 348 L HN 0.608 nan 8.230 nan 0.000 0.454 349 G N 1.166 110.081 108.800 0.193 0.000 2.198 349 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.257 349 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.257 349 G C -0.003 175.093 174.900 0.326 0.000 1.042 349 G CA -0.203 45.088 45.100 0.320 0.000 0.791 349 G HN 0.231 nan 8.290 nan 0.000 0.502 350 L N 1.488 122.925 121.223 0.358 0.000 2.264 350 L HA 0.409 4.749 4.340 -0.001 0.000 0.289 350 L C -1.557 175.601 176.870 0.479 0.000 1.044 350 L CA -2.254 52.775 54.840 0.314 0.000 0.807 350 L CB 1.343 43.542 42.059 0.233 0.000 1.192 350 L HN -0.037 nan 8.230 nan 0.000 0.425 351 P HA 0.177 nan 4.420 nan 0.000 0.271 351 P C -1.466 176.109 177.300 0.459 0.000 1.218 351 P CA 0.138 63.386 63.100 0.247 0.000 0.780 351 P CB 0.716 32.472 31.700 0.094 0.000 0.901 352 Y N -1.057 119.499 120.300 0.427 0.000 2.713 352 Y HA 0.651 5.200 4.550 -0.000 0.000 0.335 352 Y C -1.056 175.054 175.900 0.350 0.000 1.222 352 Y CA -1.488 56.879 58.100 0.445 0.000 1.061 352 Y CB 1.054 39.712 38.460 0.331 0.000 1.314 352 Y HN 0.510 nan 8.280 nan 0.000 0.453 353 R N 0.904 121.704 120.500 0.501 0.000 2.750 353 R HA 0.897 5.237 4.340 -0.001 0.000 0.281 353 R C -2.054 174.409 176.300 0.272 0.000 0.972 353 R CA -1.124 55.103 56.100 0.210 0.000 0.912 353 R CB 2.308 32.446 30.300 -0.271 0.000 1.187 353 R HN 0.528 nan 8.270 nan 0.000 0.464 354 V N 2.849 122.885 119.914 0.203 0.000 2.398 354 V HA 0.407 4.527 4.120 -0.001 0.000 0.286 354 V C 0.078 176.226 176.094 0.090 0.000 1.026 354 V CA -0.641 61.732 62.300 0.120 0.000 0.868 354 V CB 1.421 33.279 31.823 0.058 0.000 0.982 354 V HN 0.665 nan 8.190 nan 0.000 0.443 355 V N 1.841 121.825 119.914 0.116 0.000 2.769 355 V HA 0.691 4.811 4.120 -0.001 0.000 0.312 355 V C -0.398 175.821 176.094 0.208 0.000 1.061 355 V CA -0.886 61.483 62.300 0.116 0.000 0.931 355 V CB 2.077 33.930 31.823 0.049 0.000 1.010 355 V HN 0.728 nan 8.190 nan 0.000 0.433 356 N N 3.939 122.739 118.700 0.167 0.000 2.426 356 N HA 0.367 5.107 4.740 -0.001 0.000 0.257 356 N C -0.545 174.977 175.510 0.020 0.000 1.002 356 N CA -0.687 52.413 53.050 0.084 0.000 0.942 356 N CB 0.686 39.224 38.487 0.084 0.000 1.112 356 N HN 0.712 nan 8.380 nan 0.000 0.499 357 I N 3.513 124.075 120.570 -0.014 0.000 2.471 357 I HA 0.045 4.214 4.170 -0.001 0.000 0.286 357 I C 1.300 177.413 176.117 -0.006 0.000 1.079 357 I CA -0.689 60.608 61.300 -0.005 0.000 1.398 357 I CB -0.642 37.350 38.000 -0.013 0.000 1.403 357 I HN 0.570 nan 8.210 nan 0.000 0.530 358 C N 4.219 123.524 119.300 0.010 0.000 2.700 358 C HA 0.183 4.643 4.460 -0.001 0.000 0.397 358 C C 2.059 177.074 174.990 0.041 0.000 1.301 358 C CA -0.101 58.934 59.018 0.028 0.000 2.219 358 C CB 0.287 28.047 27.740 0.033 0.000 2.699 358 C HN 0.933 nan 8.230 nan 0.000 0.669 359 S N 1.852 117.600 115.700 0.079 0.000 2.383 359 S HA -0.059 4.411 4.470 -0.001 0.000 0.229 359 S C 1.836 176.510 174.600 0.123 0.000 1.030 359 S CA 1.497 59.752 58.200 0.091 0.000 1.002 359 S CB -1.260 62.003 63.200 0.105 0.000 0.829 359 S HN 1.359 nan 8.310 nan 0.000 0.467 360 G N 0.905 109.801 108.800 0.160 0.000 2.443 360 G HA2 0.212 4.172 3.960 -0.001 0.000 0.219 360 G HA3 0.212 4.172 3.960 -0.001 0.000 0.219 360 G C 1.409 176.324 174.900 0.024 0.000 1.131 360 G CA 0.583 45.742 45.100 0.098 0.000 0.775 360 G HN 0.801 nan 8.290 nan 0.000 0.547 361 A N -0.326 122.500 122.820 0.011 0.000 2.195 361 A HA 0.497 4.817 4.320 -0.001 0.000 0.210 361 A C 1.059 178.637 177.584 -0.010 0.000 1.165 361 A CA -0.360 51.673 52.037 -0.007 0.000 0.806 361 A CB 0.010 19.004 19.000 -0.010 0.000 0.847 361 A HN 0.268 nan 8.150 nan 0.000 0.482 362 L N 2.733 123.951 121.223 -0.008 0.000 2.499 362 L HA 0.035 4.375 4.340 -0.001 0.000 0.273 362 L C 0.313 177.156 176.870 -0.044 0.000 1.195 362 L CA -0.588 54.234 54.840 -0.031 0.000 0.882 362 L CB 0.191 42.230 42.059 -0.034 0.000 1.133 362 L HN 0.562 nan 8.230 nan 0.000 0.483 363 N N 2.917 121.579 118.700 -0.064 0.000 2.340 363 N HA -0.072 4.668 4.740 -0.001 0.000 0.236 363 N C 0.315 175.741 175.510 -0.141 0.000 1.296 363 N CA -0.407 52.593 53.050 -0.082 0.000 0.896 363 N CB 0.398 38.835 38.487 -0.083 0.000 1.127 363 N HN 0.461 nan 8.380 nan 0.000 0.442 364 N N 0.319 118.924 118.700 -0.158 0.000 2.166 364 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 364 N C 1.538 176.640 175.510 -0.680 0.000 1.019 364 N CA 1.625 54.522 53.050 -0.256 0.000 0.856 364 N CB -0.655 37.774 38.487 -0.097 0.000 0.993 364 N HN 0.768 nan 8.380 nan 0.000 0.426 365 A N 0.290 122.679 122.820 -0.719 0.000 1.968 365 A HA 0.280 4.600 4.320 -0.001 0.000 0.217 365 A C 1.130 178.383 177.584 -0.552 0.000 1.169 365 A CA 0.845 52.286 52.037 -0.993 0.000 0.638 365 A CB -0.467 18.309 19.000 -0.374 0.000 0.812 365 A HN 0.285 nan 8.150 nan 0.000 0.446 366 A N -0.677 121.945 122.820 -0.330 0.000 2.366 366 A HA 0.596 4.916 4.320 -0.001 0.000 0.272 366 A C 1.167 178.672 177.584 -0.132 0.000 1.135 366 A CA 0.242 52.161 52.037 -0.197 0.000 0.804 366 A CB 0.457 19.376 19.000 -0.136 0.000 1.064 366 A HN 0.970 nan 8.150 nan 0.000 0.499 367 A N 2.255 125.045 122.820 -0.051 0.000 2.030 367 A HA 0.339 4.658 4.320 -0.001 0.000 0.215 367 A C 0.936 178.628 177.584 0.179 0.000 1.164 367 A CA 1.338 53.440 52.037 0.108 0.000 0.697 367 A CB 0.025 19.190 19.000 0.275 0.000 0.827 367 A HN 0.784 nan 8.150 nan 0.000 0.457 368 K N -0.940 119.531 120.400 0.118 0.000 2.578 368 K HA 0.450 4.769 4.320 -0.001 0.000 0.269 368 K C -1.868 174.676 176.600 -0.093 0.000 0.941 368 K CA -0.623 55.676 56.287 0.020 0.000 0.847 368 K CB 1.416 33.966 32.500 0.083 0.000 1.397 368 K HN 0.068 nan 8.250 nan 0.000 0.422 369 K N 2.974 123.272 120.400 -0.171 0.000 2.513 369 K HA 0.335 4.654 4.320 -0.001 0.000 0.251 369 K C -1.863 174.624 176.600 -0.188 0.000 0.939 369 K CA -0.676 55.527 56.287 -0.140 0.000 0.793 369 K CB 1.019 33.477 32.500 -0.070 0.000 1.241 369 K HN 0.424 nan 8.250 nan 0.000 0.431 370 Y N 1.555 121.859 120.300 0.007 0.000 2.330 370 Y HA 0.294 4.843 4.550 -0.001 0.000 0.336 370 Y C -0.239 175.659 175.900 -0.003 0.000 1.036 370 Y CA -0.517 57.588 58.100 0.008 0.000 1.125 370 Y CB 1.510 39.975 38.460 0.009 0.000 1.194 370 Y HN 0.519 nan 8.280 nan 0.000 0.469 371 D N 2.794 123.296 120.400 0.171 0.000 2.192 371 D HA 0.321 4.961 4.640 -0.001 0.000 0.246 371 D C -1.031 175.322 176.300 0.089 0.000 1.042 371 D CA -0.486 53.573 54.000 0.099 0.000 0.847 371 D CB 2.012 42.858 40.800 0.076 0.000 1.186 371 D HN 0.457 nan 8.370 nan 0.000 0.461 372 L N 1.832 123.082 121.223 0.045 0.000 2.257 372 L HA 0.332 4.672 4.340 -0.001 0.000 0.290 372 L C -0.484 176.456 176.870 0.116 0.000 1.044 372 L CA -0.393 54.462 54.840 0.024 0.000 0.810 372 L CB 0.443 42.416 42.059 -0.144 0.000 1.193 372 L HN 0.243 nan 8.230 nan 0.000 0.425 373 E N 5.127 125.455 120.200 0.213 0.000 2.092 373 E HA 0.466 4.816 4.350 -0.001 0.000 0.271 373 E C -0.526 176.404 176.600 0.550 0.000 0.919 373 E CA -0.684 55.915 56.400 0.332 0.000 0.760 373 E CB 1.655 31.531 29.700 0.294 0.000 1.106 373 E HN 0.733 nan 8.360 nan 0.000 0.408 374 A N 3.864 127.010 122.820 0.544 0.000 2.371 374 A HA 0.125 4.445 4.320 -0.001 0.000 0.257 374 A C -0.608 177.375 177.584 0.666 0.000 1.089 374 A CA -0.544 51.843 52.037 0.582 0.000 0.794 374 A CB 0.471 19.700 19.000 0.381 0.000 1.029 374 A HN 0.807 nan 8.150 nan 0.000 0.488 375 W N 3.424 124.902 121.300 0.297 0.000 2.345 375 W HA 0.459 5.119 4.660 -0.000 0.000 0.308 375 W C -1.986 174.553 176.519 0.032 0.000 1.273 375 W CA -0.415 56.926 57.345 -0.007 0.000 1.243 375 W CB 0.490 29.835 29.460 -0.192 0.000 1.260 375 W HN 0.486 nan 8.180 nan 0.000 0.509 376 F N 8.942 128.412 119.950 -0.800 0.000 2.313 376 F HA 0.220 4.746 4.527 -0.001 0.000 0.369 376 F C -1.167 174.057 175.800 -0.961 0.000 1.109 376 F CA -2.694 54.941 58.000 -0.608 0.000 1.132 376 F CB 0.830 39.593 39.000 -0.395 0.000 1.291 376 F HN 0.236 nan 8.300 nan 0.000 0.496 377 P HA -0.091 nan 4.420 nan 0.000 0.222 377 P C 1.101 178.292 177.300 -0.181 0.000 1.153 377 P CA 1.100 63.997 63.100 -0.339 0.000 0.798 377 P CB 0.377 32.062 31.700 -0.024 0.000 0.796 378 A N 0.257 122.998 122.820 -0.132 0.000 1.898 378 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 378 A C 2.428 179.940 177.584 -0.120 0.000 1.183 378 A CA 1.528 53.516 52.037 -0.081 0.000 0.622 378 A CB -1.290 17.689 19.000 -0.036 0.000 0.824 378 A HN 0.125 nan 8.150 nan 0.000 0.444 379 S N -1.200 114.414 115.700 -0.144 0.000 2.402 379 S HA 0.221 4.691 4.470 -0.001 0.000 0.229 379 S C 1.518 175.956 174.600 -0.271 0.000 1.021 379 S CA 1.095 59.181 58.200 -0.190 0.000 0.974 379 S CB -0.357 62.728 63.200 -0.191 0.000 0.800 379 S HN 1.728 nan 8.310 nan 0.000 0.484 380 G N 1.036 109.571 108.800 -0.442 0.000 2.160 380 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.244 380 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.244 380 G C -0.110 174.389 174.900 -0.669 0.000 1.022 380 G CA 0.154 44.945 45.100 -0.514 0.000 0.741 380 G HN 0.962 nan 8.290 nan 0.000 0.508 381 A N -0.929 121.356 122.820 -0.892 0.000 2.539 381 A HA 0.840 5.159 4.320 -0.001 0.000 0.296 381 A C -0.577 176.785 177.584 -0.370 0.000 1.073 381 A CA -0.858 50.912 52.037 -0.446 0.000 0.700 381 A CB 1.073 19.925 19.000 -0.247 0.000 1.296 381 A HN 0.698 nan 8.150 nan 0.000 0.405 382 F N 1.870 121.940 119.950 0.199 0.000 2.438 382 F HA 0.522 5.049 4.527 -0.001 0.000 0.356 382 F C 0.990 176.870 175.800 0.134 0.000 1.099 382 F CA 0.416 58.595 58.000 0.300 0.000 1.185 382 F CB 0.990 40.189 39.000 0.331 0.000 1.115 382 F HN 0.359 nan 8.300 nan 0.000 0.526 383 R N 2.255 122.963 120.500 0.347 0.000 2.575 383 R HA 0.182 4.522 4.340 -0.001 0.000 0.293 383 R C -0.671 175.812 176.300 0.305 0.000 0.983 383 R CA -0.934 55.269 56.100 0.171 0.000 0.887 383 R CB 1.698 31.850 30.300 -0.246 0.000 1.184 383 R HN 0.677 nan 8.270 nan 0.000 0.445 384 E N 3.627 123.961 120.200 0.223 0.000 2.493 384 E HA -0.051 4.299 4.350 -0.001 0.000 0.255 384 E C 0.175 176.841 176.600 0.110 0.000 0.999 384 E CA 0.196 56.688 56.400 0.152 0.000 0.934 384 E CB 0.545 30.292 29.700 0.078 0.000 0.940 384 E HN 0.491 nan 8.360 nan 0.000 0.473 385 L N 3.948 125.238 121.223 0.113 0.000 2.470 385 L HA 0.202 4.542 4.340 -0.001 0.000 0.219 385 L C -0.053 176.804 176.870 -0.020 0.000 1.071 385 L CA 0.158 55.026 54.840 0.047 0.000 0.850 385 L CB 0.805 42.927 42.059 0.105 0.000 1.040 385 L HN 0.324 nan 8.230 nan 0.000 0.475 386 V N -0.741 119.168 119.914 -0.008 0.000 2.808 386 V HA 0.373 4.492 4.120 -0.001 0.000 0.308 386 V C -0.762 175.327 176.094 -0.008 0.000 1.099 386 V CA -0.484 61.795 62.300 -0.034 0.000 0.920 386 V CB 2.214 34.000 31.823 -0.061 0.000 1.014 386 V HN -0.001 nan 8.190 nan 0.000 0.425 387 S N 2.197 117.890 115.700 -0.011 0.000 2.500 387 S HA 0.661 5.131 4.470 -0.001 0.000 0.301 387 S C -0.871 173.732 174.600 0.005 0.000 1.092 387 S CA -0.468 57.736 58.200 0.008 0.000 1.030 387 S CB 1.624 64.823 63.200 -0.002 0.000 1.031 387 S HN 0.783 nan 8.310 nan 0.000 0.483 388 C N 3.127 122.449 119.300 0.037 0.000 2.396 388 C HA 0.837 5.297 4.460 -0.001 0.000 0.321 388 C C 0.062 175.061 174.990 0.015 0.000 1.233 388 C CA -0.865 58.173 59.018 0.033 0.000 1.440 388 C CB 0.444 28.236 27.740 0.087 0.000 2.110 388 C HN 0.937 nan 8.230 nan 0.000 0.473 389 S N 2.319 117.987 115.700 -0.053 0.000 2.548 389 S HA 0.557 5.027 4.470 -0.001 0.000 0.286 389 S C -1.164 173.329 174.600 -0.178 0.000 1.098 389 S CA -0.585 57.554 58.200 -0.101 0.000 0.930 389 S CB 1.413 64.549 63.200 -0.106 0.000 1.070 389 S HN 0.663 nan 8.310 nan 0.000 0.480 390 N N 1.018 119.575 118.700 -0.238 0.000 2.439 390 N HA 0.277 5.017 4.740 -0.001 0.000 0.249 390 N C -0.114 175.186 175.510 -0.350 0.000 1.003 390 N CA -0.709 52.089 53.050 -0.420 0.000 0.942 390 N CB 0.417 38.387 38.487 -0.862 0.000 1.115 390 N HN 0.700 nan 8.380 nan 0.000 0.505 391 C N 2.139 121.251 119.300 -0.314 0.000 2.673 391 C HA 0.086 4.546 4.460 -0.001 0.000 0.274 391 C C 1.667 176.498 174.990 -0.265 0.000 1.276 391 C CA 0.404 59.279 59.018 -0.240 0.000 1.701 391 C CB -2.120 25.523 27.740 -0.162 0.000 1.836 391 C HN 0.938 nan 8.230 nan 0.000 0.596 392 T N 1.572 115.847 114.554 -0.465 0.000 10.685 392 T HA -0.386 3.964 4.350 -0.001 0.000 0.323 392 T C 0.437 174.827 174.700 -0.517 0.000 1.535 392 T CA 2.246 63.852 62.100 -0.823 0.000 1.843 392 T CB -1.057 67.342 68.868 -0.782 0.000 2.180 392 T HN 0.516 nan 8.240 nan 0.000 0.409 393 D N 0.354 120.553 120.400 -0.334 0.000 2.388 393 D HA 0.234 4.874 4.640 -0.001 0.000 0.221 393 D C 1.286 177.552 176.300 -0.057 0.000 1.133 393 D CA -0.056 53.907 54.000 -0.061 0.000 0.831 393 D CB -0.571 40.273 40.800 0.072 0.000 0.962 393 D HN 0.711 nan 8.370 nan 0.000 0.502 394 Y N 1.355 121.565 120.300 -0.150 0.000 2.133 394 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 394 Y C 2.153 177.994 175.900 -0.098 0.000 1.134 394 Y CA 1.993 60.024 58.100 -0.115 0.000 1.133 394 Y CB 0.150 38.553 38.460 -0.096 0.000 0.987 394 Y HN -0.047 nan 8.280 nan 0.000 0.502 395 Q N -1.311 118.564 119.800 0.124 0.000 2.083 395 Q HA -0.158 4.182 4.340 -0.001 0.000 0.198 395 Q C 2.544 178.547 176.000 0.005 0.000 0.969 395 Q CA 1.515 57.360 55.803 0.070 0.000 0.838 395 Q CB -0.369 28.444 28.738 0.124 0.000 0.900 395 Q HN 0.294 nan 8.270 nan 0.000 0.436 396 S N 0.310 116.016 115.700 0.010 0.000 2.359 396 S HA -0.227 4.243 4.470 -0.001 0.000 0.224 396 S C 1.965 176.498 174.600 -0.110 0.000 1.035 396 S CA 1.300 59.523 58.200 0.039 0.000 1.018 396 S CB -0.127 63.137 63.200 0.107 0.000 0.876 396 S HN 0.321 nan 8.310 nan 0.000 0.448 397 Q N 0.706 120.274 119.800 -0.387 0.000 2.119 397 Q HA -0.054 4.286 4.340 -0.001 0.000 0.201 397 Q C 2.291 178.042 176.000 -0.416 0.000 0.972 397 Q CA 1.682 56.985 55.803 -0.834 0.000 0.847 397 Q CB -0.706 27.469 28.738 -0.939 0.000 0.903 397 Q HN 0.568 nan 8.270 nan 0.000 0.433 398 S N -0.140 115.396 115.700 -0.273 0.000 2.368 398 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 398 S C 1.851 176.409 174.600 -0.070 0.000 1.029 398 S CA 1.485 59.583 58.200 -0.171 0.000 0.988 398 S CB -0.250 62.860 63.200 -0.150 0.000 0.838 398 S HN 0.381 nan 8.310 nan 0.000 0.462 399 V N -0.449 119.453 119.914 -0.019 0.000 3.623 399 V HA 0.329 4.448 4.120 -0.001 0.000 0.271 399 V C 0.616 176.751 176.094 0.069 0.000 1.248 399 V CA 0.817 63.144 62.300 0.044 0.000 1.156 399 V CB -1.607 30.270 31.823 0.091 0.000 0.870 399 V HN 0.607 nan 8.190 nan 0.000 0.453 400 N N -0.660 118.075 118.700 0.059 0.000 2.746 400 N HA -0.227 4.512 4.740 -0.001 0.000 0.250 400 N C -0.491 175.133 175.510 0.191 0.000 1.055 400 N CA 0.906 54.050 53.050 0.157 0.000 0.699 400 N CB -1.898 36.663 38.487 0.124 0.000 0.919 400 N HN 0.765 nan 8.380 nan 0.000 0.548 401 C N 2.684 122.130 119.300 0.244 0.000 2.168 401 C HA 0.450 4.909 4.460 -0.001 0.000 0.333 401 C C 0.577 175.708 174.990 0.234 0.000 1.106 401 C CA -0.830 58.343 59.018 0.258 0.000 1.574 401 C CB -0.962 26.970 27.740 0.319 0.000 2.055 401 C HN 0.281 nan 8.230 nan 0.000 0.473 402 R N 3.049 123.517 120.500 -0.055 0.000 2.577 402 R HA 0.359 4.699 4.340 -0.001 0.000 0.269 402 R C -0.968 175.131 176.300 -0.336 0.000 1.084 402 R CA -0.163 55.618 56.100 -0.532 0.000 1.163 402 R CB 1.131 30.559 30.300 -1.453 0.000 1.100 402 R HN 0.797 nan 8.270 nan 0.000 0.547 403 Y N -1.177 118.829 120.300 -0.489 0.000 2.512 403 Y HA 0.426 4.976 4.550 -0.000 0.000 0.348 403 Y C 0.314 176.182 175.900 -0.053 0.000 0.990 403 Y CA 0.656 58.684 58.100 -0.120 0.000 1.033 403 Y CB 1.875 40.324 38.460 -0.020 0.000 1.259 403 Y HN 0.928 nan 8.280 nan 0.000 0.461 404 G N 3.859 112.368 108.800 -0.484 0.000 2.615 404 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 404 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 404 G C -3.066 171.932 174.900 0.163 0.000 1.339 404 G CA -0.692 44.268 45.100 -0.232 0.000 0.884 404 G HN 0.617 nan 8.290 nan 0.000 0.559 405 P HA 0.363 nan 4.420 nan 0.000 0.276 405 P C -0.113 177.360 177.300 0.288 0.000 1.244 405 P CA -0.458 62.734 63.100 0.154 0.000 0.801 405 P CB 0.448 32.191 31.700 0.071 0.000 1.006 406 N N 0.708 119.560 118.700 0.254 0.000 2.467 406 N HA 0.076 4.815 4.740 -0.001 0.000 0.262 406 N C 1.108 176.721 175.510 0.171 0.000 1.234 406 N CA -0.504 52.742 53.050 0.326 0.000 0.952 406 N CB -0.031 38.533 38.487 0.128 0.000 1.158 406 N HN 0.233 nan 8.380 nan 0.000 0.463 407 L N -1.339 119.982 121.223 0.163 0.000 2.079 407 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 407 L C 1.898 178.811 176.870 0.072 0.000 1.081 407 L CA 1.171 56.071 54.840 0.100 0.000 0.752 407 L CB -0.416 41.699 42.059 0.093 0.000 0.896 407 L HN 0.630 nan 8.230 nan 0.000 0.433 414 N N 1.427 120.157 118.700 0.051 0.000 2.220 414 N HA 0.128 4.867 4.740 -0.001 0.000 0.195 414 N C -0.355 175.188 175.510 0.055 0.000 1.123 414 N CA 0.328 53.409 53.050 0.052 0.000 0.874 414 N CB 1.772 40.288 38.487 0.047 0.000 0.995 414 N HN 0.304 nan 8.380 nan 0.000 0.498 415 V N 1.477 121.422 119.914 0.051 0.000 2.628 415 V HA 0.295 4.415 4.120 -0.001 0.000 0.306 415 V C -0.794 175.311 176.094 0.018 0.000 1.045 415 V CA -0.814 61.516 62.300 0.050 0.000 0.905 415 V CB 2.028 33.886 31.823 0.058 0.000 0.997 415 V HN -0.082 nan 8.190 nan 0.000 0.436 416 K N 5.141 125.536 120.400 -0.009 0.000 2.349 416 K HA 0.370 4.690 4.320 -0.001 0.000 0.288 416 K C -0.435 176.016 176.600 -0.249 0.000 1.058 416 K CA -0.012 56.174 56.287 -0.168 0.000 0.953 416 K CB 0.761 33.143 32.500 -0.197 0.000 0.997 416 K HN 0.677 nan 8.250 nan 0.000 0.477 417 E N 2.146 122.152 120.200 -0.323 0.000 2.214 417 E HA 0.283 4.632 4.350 -0.001 0.000 0.274 417 E C -1.039 175.277 176.600 -0.472 0.000 0.977 417 E CA -0.693 55.587 56.400 -0.200 0.000 0.827 417 E CB 1.099 30.820 29.700 0.035 0.000 1.130 417 E HN 0.333 nan 8.360 nan 0.000 0.394 418 Y N -0.201 120.117 120.300 0.029 0.000 2.536 418 Y HA 0.264 4.814 4.550 -0.001 0.000 0.347 418 Y C 0.069 176.013 175.900 0.073 0.000 1.000 418 Y CA -1.013 57.107 58.100 0.034 0.000 1.051 418 Y CB 1.092 39.567 38.460 0.024 0.000 1.259 418 Y HN 0.519 nan 8.280 nan 0.000 0.468 419 C N 1.660 121.119 119.300 0.265 0.000 2.727 419 C HA 0.084 4.544 4.460 -0.001 0.000 0.401 419 C C 0.545 175.652 174.990 0.194 0.000 1.294 419 C CA -0.158 58.948 59.018 0.147 0.000 2.134 419 C CB -0.770 27.079 27.740 0.182 0.000 2.724 419 C HN 0.728 nan 8.230 nan 0.000 0.677 420 H N 0.554 119.561 119.070 -0.105 0.000 2.472 420 H HA 0.520 5.076 4.556 -0.001 0.000 0.335 420 H C -0.352 174.867 175.328 -0.181 0.000 1.136 420 H CA -0.483 55.478 56.048 -0.144 0.000 1.264 420 H CB 1.020 30.658 29.762 -0.206 0.000 1.486 420 H HN 0.474 nan 8.280 nan 0.000 0.517 421 M N 3.227 122.751 119.600 -0.127 0.000 2.386 421 M HA 0.297 4.777 4.480 -0.001 0.000 0.293 421 M C -1.571 174.480 176.300 -0.414 0.000 1.120 421 M CA -0.776 54.347 55.300 -0.295 0.000 0.909 421 M CB 2.340 34.815 32.600 -0.208 0.000 1.661 421 M HN 0.232 nan 8.290 nan 0.000 0.452 422 L N 3.107 123.991 121.223 -0.564 0.000 2.323 422 L HA 0.700 5.040 4.340 -0.001 0.000 0.265 422 L C -0.478 176.015 176.870 -0.628 0.000 1.012 422 L CA -0.510 54.044 54.840 -0.476 0.000 0.820 422 L CB 1.941 43.808 42.059 -0.320 0.000 1.334 422 L HN 0.741 nan 8.230 nan 0.000 0.427 423 N N 0.012 118.493 118.700 -0.364 0.000 2.331 423 N HA 0.791 5.531 4.740 -0.001 0.000 0.280 423 N C -1.167 174.288 175.510 -0.092 0.000 1.155 423 N CA -0.617 52.296 53.050 -0.228 0.000 0.822 423 N CB 2.803 41.215 38.487 -0.126 0.000 1.619 423 N HN 0.705 nan 8.380 nan 0.000 0.476 424 G N 0.180 108.959 108.800 -0.035 0.000 2.768 424 G HA2 0.414 4.373 3.960 -0.001 0.000 0.297 424 G HA3 0.414 4.373 3.960 -0.001 0.000 0.297 424 G C -1.052 173.821 174.900 -0.044 0.000 1.430 424 G CA -0.529 44.553 45.100 -0.030 0.000 1.030 424 G HN 0.489 nan 8.290 nan 0.000 0.553 425 T N 3.006 117.527 114.554 -0.056 0.000 2.928 425 T HA 0.108 4.458 4.350 -0.001 0.000 0.305 425 T C 1.363 175.961 174.700 -0.169 0.000 1.035 425 T CA -0.332 61.712 62.100 -0.093 0.000 1.145 425 T CB 1.514 70.333 68.868 -0.082 0.000 0.963 425 T HN 0.387 nan 8.240 nan 0.000 0.545 426 L N 1.792 122.861 121.223 -0.257 0.000 2.185 426 L HA 0.350 4.690 4.340 -0.001 0.000 0.198 426 L C 0.611 177.107 176.870 -0.624 0.000 1.079 426 L CA 1.117 55.678 54.840 -0.466 0.000 0.780 426 L CB 0.385 42.121 42.059 -0.538 0.000 0.955 426 L HN 0.733 nan 8.230 nan 0.000 0.462 427 C N 1.294 120.309 119.300 -0.476 0.000 2.599 427 C HA 0.719 5.179 4.460 -0.001 0.000 0.354 427 C C 0.087 174.997 174.990 -0.133 0.000 1.092 427 C CA -0.946 57.874 59.018 -0.331 0.000 1.280 427 C CB 0.416 27.917 27.740 -0.399 0.000 1.829 427 C HN 0.497 nan 8.230 nan 0.000 0.454 428 A N 6.785 129.562 122.820 -0.072 0.000 2.279 428 A HA 0.520 4.840 4.320 -0.001 0.000 0.306 428 A C 1.027 178.599 177.584 -0.020 0.000 1.300 428 A CA -0.367 51.662 52.037 -0.014 0.000 0.925 428 A CB 0.134 19.076 19.000 -0.096 0.000 1.152 428 A HN 0.823 nan 8.150 nan 0.000 0.544 429 I N 2.730 123.324 120.570 0.040 0.000 2.202 429 I HA -0.179 3.991 4.170 -0.001 0.000 0.242 429 I C 2.788 178.904 176.117 -0.002 0.000 1.091 429 I CA 2.475 63.796 61.300 0.034 0.000 1.368 429 I CB -1.551 36.486 38.000 0.061 0.000 1.058 429 I HN 0.786 nan 8.210 nan 0.000 0.410 430 T N -0.893 113.638 114.554 -0.037 0.000 2.821 430 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 430 T C 2.048 176.658 174.700 -0.150 0.000 1.046 430 T CA 0.741 62.777 62.100 -0.107 0.000 1.139 430 T CB -0.284 68.474 68.868 -0.184 0.000 0.871 430 T HN 0.246 nan 8.240 nan 0.000 0.454 431 R N 0.671 121.031 120.500 -0.233 0.000 2.075 431 R HA -0.009 4.330 4.340 -0.001 0.000 0.232 431 R C 2.799 179.104 176.300 0.009 0.000 1.126 431 R CA 1.705 57.678 56.100 -0.212 0.000 0.963 431 R CB -0.999 29.062 30.300 -0.397 0.000 0.858 431 R HN 0.424 nan 8.270 nan 0.000 0.435 432 T N 1.615 116.165 114.554 -0.006 0.000 2.746 432 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 432 T C 1.913 176.619 174.700 0.011 0.000 1.039 432 T CA 1.405 63.526 62.100 0.034 0.000 1.142 432 T CB -0.102 68.809 68.868 0.071 0.000 0.866 432 T HN 0.180 nan 8.240 nan 0.000 0.444 433 M N 0.438 120.039 119.600 0.002 0.000 2.108 433 M HA -0.121 4.359 4.480 -0.001 0.000 0.261 433 M C 2.650 178.960 176.300 0.017 0.000 1.066 433 M CA 1.261 56.563 55.300 0.003 0.000 1.107 433 M CB -0.719 31.885 32.600 0.006 0.000 1.356 433 M HN 0.344 nan 8.290 nan 0.000 0.406 434 C N -0.784 118.532 119.300 0.026 0.000 2.429 434 C HA -0.174 4.285 4.460 -0.001 0.000 0.277 434 C C 3.099 178.100 174.990 0.019 0.000 1.262 434 C CA 0.649 59.703 59.018 0.061 0.000 1.733 434 C CB -1.109 26.582 27.740 -0.082 0.000 2.010 434 C HN 0.740 nan 8.230 nan 0.000 0.483 435 C N 0.517 119.723 119.300 -0.157 0.000 2.446 435 C HA -0.012 4.447 4.460 -0.001 0.000 0.277 435 C C 2.554 177.400 174.990 -0.241 0.000 1.275 435 C CA 0.922 59.571 59.018 -0.616 0.000 1.727 435 C CB -1.410 26.027 27.740 -0.505 0.000 2.010 435 C HN 0.604 nan 8.230 nan 0.000 0.486 436 I N 0.258 120.789 120.570 -0.065 0.000 2.163 436 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 436 I C 2.705 178.884 176.117 0.103 0.000 1.085 436 I CA 1.800 63.131 61.300 0.052 0.000 1.347 436 I CB -0.550 37.422 38.000 -0.048 0.000 1.044 436 I HN 0.408 nan 8.210 nan 0.000 0.408 437 C N 0.652 119.987 119.300 0.058 0.000 2.413 437 C HA -0.171 4.288 4.460 -0.001 0.000 0.276 437 C C 2.701 177.750 174.990 0.098 0.000 1.236 437 C CA 1.004 60.080 59.018 0.097 0.000 1.735 437 C CB -1.082 26.736 27.740 0.130 0.000 2.031 437 C HN 0.498 nan 8.230 nan 0.000 0.474 438 E N 0.410 120.640 120.200 0.050 0.000 2.072 438 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 438 E C 1.775 178.364 176.600 -0.019 0.000 0.985 438 E CA 0.818 57.228 56.400 0.017 0.000 0.801 438 E CB -0.295 29.387 29.700 -0.032 0.000 0.750 438 E HN 0.643 nan 8.360 nan 0.000 0.452 439 N N -0.277 118.401 118.700 -0.036 0.000 2.409 439 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 439 N C 0.653 176.045 175.510 -0.197 0.000 1.032 439 N CA 0.831 53.822 53.050 -0.099 0.000 0.898 439 N CB 0.217 38.646 38.487 -0.097 0.000 0.971 439 N HN 0.220 nan 8.380 nan 0.000 0.441 440 Y N 1.111 121.389 120.300 -0.037 0.000 2.584 440 Y HA 0.156 4.705 4.550 -0.000 0.000 0.254 440 Y C 0.685 176.565 175.900 -0.034 0.000 1.177 440 Y CA -0.572 57.507 58.100 -0.036 0.000 1.216 440 Y CB 0.234 38.666 38.460 -0.047 0.000 1.172 440 Y HN 0.036 nan 8.280 nan 0.000 0.529 441 Q N 0.937 120.789 119.800 0.087 0.000 2.421 441 Q HA 0.378 4.717 4.340 -0.001 0.000 0.255 441 Q C 0.079 176.106 176.000 0.045 0.000 1.013 441 Q CA 0.287 56.134 55.803 0.073 0.000 0.895 441 Q CB 1.157 29.970 28.738 0.126 0.000 1.271 441 Q HN 0.233 nan 8.270 nan 0.000 0.460 442 T N -2.114 112.459 114.554 0.032 0.000 2.716 442 T HA 0.246 4.596 4.350 -0.001 0.000 0.286 442 T C 0.564 175.330 174.700 0.110 0.000 1.052 442 T CA -0.676 61.447 62.100 0.038 0.000 1.024 442 T CB 1.213 70.080 68.868 -0.002 0.000 1.349 442 T HN 0.694 nan 8.240 nan 0.000 0.525 443 E N 0.226 120.488 120.200 0.104 0.000 2.160 443 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 443 E C 1.642 178.386 176.600 0.240 0.000 0.991 443 E CA 1.437 57.938 56.400 0.167 0.000 0.810 443 E CB 0.032 29.789 29.700 0.096 0.000 0.742 443 E HN 0.671 nan 8.360 nan 0.000 0.466 444 E N -0.896 119.343 120.200 0.065 0.000 2.400 444 E HA 0.146 4.496 4.350 -0.001 0.000 0.195 444 E C 0.766 177.111 176.600 -0.425 0.000 1.012 444 E CA 0.271 56.659 56.400 -0.020 0.000 0.875 444 E CB 1.114 30.790 29.700 -0.041 0.000 0.859 444 E HN 0.207 nan 8.360 nan 0.000 0.498 445 G N 0.222 108.522 108.800 -0.833 0.000 2.441 445 G HA2 0.065 4.025 3.960 -0.001 0.000 0.222 445 G HA3 0.065 4.025 3.960 -0.001 0.000 0.222 445 G C -1.571 172.946 174.900 -0.638 0.000 1.254 445 G CA -0.711 43.580 45.100 -1.349 0.000 0.959 445 G HN -0.042 nan 8.290 nan 0.000 0.474 446 V N 0.958 120.649 119.914 -0.371 0.000 2.409 446 V HA 0.561 4.681 4.120 -0.001 0.000 0.291 446 V C 0.443 176.486 176.094 -0.084 0.000 1.020 446 V CA -0.698 61.523 62.300 -0.132 0.000 0.848 446 V CB 1.265 33.048 31.823 -0.067 0.000 0.990 446 V HN 0.694 nan 8.190 nan 0.000 0.430 447 V N 5.977 125.893 119.914 0.003 0.000 2.637 447 V HA 0.191 4.311 4.120 -0.001 0.000 0.296 447 V C 0.352 176.390 176.094 -0.093 0.000 1.046 447 V CA -0.202 62.108 62.300 0.017 0.000 1.066 447 V CB 1.077 32.986 31.823 0.143 0.000 0.968 447 V HN 0.535 nan 8.190 nan 0.000 0.483 448 I N 6.932 127.415 120.570 -0.144 0.000 2.416 448 I HA 0.286 4.455 4.170 -0.001 0.000 0.288 448 I C -2.088 173.817 176.117 -0.354 0.000 1.051 448 I CA -2.813 58.337 61.300 -0.249 0.000 1.375 448 I CB 0.755 38.663 38.000 -0.154 0.000 1.407 448 I HN 0.410 nan 8.210 nan 0.000 0.516 449 P HA -0.026 nan 4.420 nan 0.000 0.261 449 P C 0.491 177.632 177.300 -0.265 0.000 1.173 449 P CA 0.191 62.956 63.100 -0.559 0.000 0.760 449 P CB 0.649 31.982 31.700 -0.612 0.000 0.783 450 D N 2.225 122.544 120.400 -0.135 0.000 2.133 450 D HA -0.173 4.467 4.640 -0.001 0.000 0.192 450 D C 1.788 178.016 176.300 -0.120 0.000 1.001 450 D CA 1.724 55.672 54.000 -0.086 0.000 0.844 450 D CB -0.625 40.158 40.800 -0.028 0.000 0.944 450 D HN 0.303 nan 8.370 nan 0.000 0.447 451 V N -1.017 118.782 119.914 -0.192 0.000 2.720 451 V HA -0.128 3.992 4.120 -0.001 0.000 0.256 451 V C 2.203 178.101 176.094 -0.326 0.000 1.082 451 V CA 1.156 63.291 62.300 -0.274 0.000 1.101 451 V CB -0.796 30.747 31.823 -0.466 0.000 0.693 451 V HN 0.144 nan 8.190 nan 0.000 0.479 452 L N -0.742 120.291 121.223 -0.315 0.000 2.446 452 L HA 0.151 4.491 4.340 -0.001 0.000 0.219 452 L C 2.899 179.773 176.870 0.007 0.000 1.116 452 L CA 0.599 55.327 54.840 -0.186 0.000 0.844 452 L CB -0.448 41.469 42.059 -0.236 0.000 0.970 452 L HN 0.213 nan 8.230 nan 0.000 0.457 453 R N 0.651 121.126 120.500 -0.041 0.000 2.083 453 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 453 R C -0.523 175.775 176.300 -0.004 0.000 1.137 453 R CA 1.569 57.653 56.100 -0.026 0.000 0.951 453 R CB -1.466 28.807 30.300 -0.044 0.000 0.851 453 R HN 0.318 nan 8.270 nan 0.000 0.434 454 P HA -0.114 nan 4.420 nan 0.000 0.226 454 P C 0.260 177.453 177.300 -0.179 0.000 1.153 454 P CA 1.212 64.245 63.100 -0.113 0.000 0.777 454 P CB 0.020 31.611 31.700 -0.183 0.000 0.794 455 Y N -0.522 119.770 120.300 -0.014 0.000 2.490 455 Y HA 0.201 4.751 4.550 -0.001 0.000 0.281 455 Y C 1.532 177.433 175.900 0.003 0.000 1.174 455 Y CA 0.170 58.279 58.100 0.015 0.000 1.295 455 Y CB -0.344 38.142 38.460 0.043 0.000 1.062 455 Y HN -0.032 nan 8.280 nan 0.000 0.522 456 M N -2.051 117.607 119.600 0.097 0.000 3.053 456 M HA 0.393 4.873 4.480 -0.001 0.000 0.293 456 M C -0.349 175.959 176.300 0.014 0.000 1.470 456 M CA -0.257 55.072 55.300 0.050 0.000 0.582 456 M CB 0.474 33.096 32.600 0.038 0.000 1.435 456 M HN 0.168 nan 8.290 nan 0.000 0.451 457 M N 0.379 119.980 119.600 0.002 0.000 2.682 457 M HA -0.231 4.248 4.480 -0.001 0.000 0.196 457 M C 0.938 177.228 176.300 -0.017 0.000 0.542 457 M CA 1.437 56.731 55.300 -0.010 0.000 0.593 457 M CB -2.406 30.192 32.600 -0.003 0.000 2.183 457 M HN 1.119 nan 8.290 nan 0.000 0.663 458 G N 0.340 109.127 108.800 -0.021 0.000 2.148 458 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.254 458 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.254 458 G C 0.035 174.921 174.900 -0.024 0.000 0.981 458 G CA 0.251 45.336 45.100 -0.025 0.000 0.670 458 G HN 0.639 nan 8.290 nan 0.000 0.528 459 I N 0.695 121.252 120.570 -0.022 0.000 2.598 459 I HA 0.099 4.269 4.170 -0.001 0.000 0.284 459 I C 1.506 177.600 176.117 -0.038 0.000 1.140 459 I CA 0.374 61.658 61.300 -0.026 0.000 1.420 459 I CB 0.687 38.673 38.000 -0.023 0.000 1.387 459 I HN 0.248 nan 8.210 nan 0.000 0.553 460 E N 5.476 125.654 120.200 -0.037 0.000 2.276 460 E HA 0.169 4.518 4.350 -0.001 0.000 0.193 460 E C 0.268 176.838 176.600 -0.050 0.000 0.983 460 E CA 0.492 56.868 56.400 -0.040 0.000 0.861 460 E CB 0.716 30.399 29.700 -0.028 0.000 0.817 460 E HN 0.565 nan 8.360 nan 0.000 0.485 461 M N 1.225 120.792 119.600 -0.054 0.000 2.414 461 M HA 0.304 4.784 4.480 -0.001 0.000 0.287 461 M C -1.905 174.348 176.300 -0.078 0.000 1.181 461 M CA -0.617 54.640 55.300 -0.072 0.000 0.933 461 M CB 2.068 34.624 32.600 -0.073 0.000 1.732 461 M HN -0.062 nan 8.290 nan 0.000 0.486 462 I N 0.883 121.393 120.570 -0.100 0.000 2.359 462 I HA 0.600 4.770 4.170 -0.001 0.000 0.294 462 I C -0.882 175.134 176.117 -0.168 0.000 0.987 462 I CA -0.800 60.444 61.300 -0.094 0.000 1.225 462 I CB 1.524 39.487 38.000 -0.061 0.000 1.366 462 I HN 0.715 nan 8.210 nan 0.000 0.466 463 R N 4.309 124.733 120.500 -0.127 0.000 2.474 463 R HA 0.533 4.872 4.340 -0.001 0.000 0.295 463 R C -1.028 175.224 176.300 -0.079 0.000 0.980 463 R CA -0.787 55.215 56.100 -0.164 0.000 0.934 463 R CB 1.484 31.744 30.300 -0.068 0.000 1.101 463 R HN 0.435 nan 8.270 nan 0.000 0.469 464 F N 1.573 121.532 119.950 0.015 0.000 2.553 464 F HA -0.012 4.514 4.527 -0.001 0.000 0.356 464 F C 1.243 177.051 175.800 0.013 0.000 1.142 464 F CA -0.068 57.941 58.000 0.014 0.000 1.322 464 F CB 0.165 39.172 39.000 0.012 0.000 1.126 464 F HN 0.328 nan 8.300 nan 0.000 0.599 465 E N 3.110 123.445 120.200 0.225 0.000 2.529 465 E HA -0.122 4.228 4.350 -0.001 0.000 0.259 465 E C 1.174 177.840 176.600 0.109 0.000 0.966 465 E CA 0.108 56.581 56.400 0.121 0.000 0.937 465 E CB 0.350 30.099 29.700 0.081 0.000 0.923 465 E HN 0.567 nan 8.360 nan 0.000 0.468 466 N N 4.022 122.770 118.700 0.079 0.000 2.089 466 N HA -0.263 4.477 4.740 -0.001 0.000 0.198 466 N C 0.329 175.874 175.510 0.058 0.000 1.017 466 N CA 1.593 54.684 53.050 0.069 0.000 0.880 466 N CB -0.253 38.261 38.487 0.045 0.000 1.042 466 N HN 0.339 nan 8.380 nan 0.000 0.446 467 N N 0.000 118.721 118.700 0.034 0.000 1.763 467 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 467 N CA 0.000 53.056 53.050 0.009 0.000 0.885 467 N CB 0.000 38.489 38.487 0.003 0.000 1.341 467 N HN 0.000 nan 8.380 nan 0.000 0.667