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 1skq_1_A DATA FIRST_RESID 4 DATA SEQUENCE KPHLNLIVIG HVDHGKSTLV GRLLMDRGFI DEKTVKEAEE AAKKLGKESE DATA SEQUENCE KFAFLLDRLK EEXXXXXXXX XXXMRFETKK YFFTIIDAPG HRDFVKNMIT DATA SEQUENCE GASQADAAIL VVSAKKGEYE AGMSVEGQTR EHIILAKTMG LDQLIVAVNK DATA SEQUENCE MDLTEPPYDE KRYKEIVDQV SKFMRSYGFN TNKVRFVPVV APSGDNITHK DATA SEQUENCE SENMKWYNGP TLEEYLDQLE LPPKPVDKPL RIPIQDVYSI SGVGTVPVGR DATA SEQUENCE VESGVLKVGD KIVFMPAGKV GEVRSIETHH TKMDKAEPGD NIGFNVRGVE DATA SEQUENCE KKDIKRGDVV GHPNNPPTVA DEFTARIIVV WHPTALANGY TPVLHVHTAS DATA SEQUENCE VACRVSELVS KLDPRTGQEA EKNPQFLKQG DVAIVKFKPI KPLCVEKYNE DATA SEQUENCE FPPLGRFAMR DMGKTVGVGI IVDVKPA 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.661 176.600 0.102 0.000 0.988 4 K CA 0.000 56.301 56.287 0.024 0.000 0.838 4 K CB 0.000 32.425 32.500 -0.125 0.000 1.064 5 P HA -0.002 nan 4.420 nan 0.000 0.267 5 P C -1.009 176.373 177.300 0.136 0.000 1.200 5 P CA 0.053 63.194 63.100 0.068 0.000 0.772 5 P CB 0.381 32.191 31.700 0.183 0.000 0.855 6 H N 1.578 120.663 119.070 0.026 0.000 2.458 6 H HA 0.507 5.061 4.556 -0.004 0.000 0.330 6 H C -0.007 175.229 175.328 -0.152 0.000 1.111 6 H CA -0.269 55.757 56.048 -0.038 0.000 1.245 6 H CB 0.514 30.259 29.762 -0.029 0.000 1.456 6 H HN 0.244 nan 8.280 nan 0.000 0.488 7 L N 2.409 123.544 121.223 -0.147 0.000 2.388 7 L HA 0.338 4.676 4.340 -0.003 0.000 0.264 7 L C -0.041 176.839 176.870 0.017 0.000 0.998 7 L CA -1.033 53.721 54.840 -0.144 0.000 0.817 7 L CB 1.910 43.770 42.059 -0.332 0.000 1.338 7 L HN 0.449 nan 8.230 nan 0.000 0.414 8 N N 2.674 121.414 118.700 0.065 0.000 2.438 8 N HA 0.503 5.241 4.740 -0.003 0.000 0.282 8 N C -1.222 174.379 175.510 0.153 0.000 1.037 8 N CA -0.274 52.837 53.050 0.101 0.000 0.942 8 N CB 2.189 40.716 38.487 0.067 0.000 1.136 8 N HN 0.409 nan 8.380 nan 0.000 0.481 9 L N 2.984 124.314 121.223 0.179 0.000 2.365 9 L HA 0.593 4.931 4.340 -0.003 0.000 0.273 9 L C -0.863 176.077 176.870 0.117 0.000 1.000 9 L CA -0.775 54.159 54.840 0.158 0.000 0.819 9 L CB 1.880 44.040 42.059 0.168 0.000 1.284 9 L HN 0.476 nan 8.230 nan 0.000 0.418 10 I N 4.175 124.798 120.570 0.090 0.000 2.474 10 I HA 0.460 4.628 4.170 -0.003 0.000 0.294 10 I C -1.156 174.987 176.117 0.043 0.000 1.005 10 I CA -0.606 60.735 61.300 0.068 0.000 1.113 10 I CB 2.055 40.106 38.000 0.086 0.000 1.289 10 I HN 0.301 nan 8.210 nan 0.000 0.436 11 V N 8.041 127.970 119.914 0.024 0.000 2.384 11 V HA 0.457 4.575 4.120 -0.003 0.000 0.287 11 V C 0.170 176.268 176.094 0.007 0.000 1.020 11 V CA -0.432 61.882 62.300 0.023 0.000 0.850 11 V CB 1.189 33.030 31.823 0.030 0.000 0.987 11 V HN 0.602 nan 8.190 nan 0.000 0.436 12 I N 1.798 122.383 120.570 0.026 0.000 3.170 12 I HA 1.124 5.292 4.170 -0.003 0.000 0.312 12 I C 0.280 176.501 176.117 0.173 0.000 1.085 12 I CA -0.851 60.484 61.300 0.059 0.000 0.999 12 I CB 2.383 40.369 38.000 -0.023 0.000 1.233 12 I HN 0.807 nan 8.210 nan 0.000 0.467 13 G N 0.474 109.500 108.800 0.378 0.000 2.351 13 G HA2 0.077 4.035 3.960 -0.003 0.000 0.353 13 G HA3 0.077 4.035 3.960 -0.003 0.000 0.353 13 G C -1.730 173.148 174.900 -0.037 0.000 1.358 13 G CA -0.887 44.296 45.100 0.139 0.000 0.995 13 G HN 1.157 nan 8.290 nan 0.000 0.611 14 H N -0.834 118.003 119.070 -0.389 0.000 2.771 14 H HA 0.458 5.012 4.556 -0.004 0.000 0.364 14 H C 1.145 176.264 175.328 -0.349 0.000 1.133 14 H CA 0.814 56.527 56.048 -0.558 0.000 1.423 14 H CB 1.357 30.523 29.762 -0.994 0.000 1.425 14 H HN 0.918 nan 8.280 nan 0.000 0.606 15 V N 4.612 124.206 119.914 -0.533 0.000 2.694 15 V HA -0.085 4.033 4.120 -0.003 0.000 0.306 15 V C 0.146 176.267 176.094 0.045 0.000 1.054 15 V CA 1.105 63.270 62.300 -0.225 0.000 1.161 15 V CB -0.056 31.596 31.823 -0.284 0.000 0.916 15 V HN 1.178 nan 8.190 nan 0.000 0.490 16 D N 3.246 123.703 120.400 0.095 0.000 3.028 16 D HA -0.200 4.438 4.640 -0.003 0.000 0.207 16 D C 0.815 177.274 176.300 0.265 0.000 1.100 16 D CA 1.538 55.633 54.000 0.158 0.000 0.995 16 D CB -1.016 39.872 40.800 0.146 0.000 1.108 16 D HN 0.928 nan 8.370 nan 0.000 0.421 17 H N -0.403 118.712 119.070 0.074 0.000 2.529 17 H HA 0.313 4.867 4.556 -0.003 0.000 0.277 17 H C 2.056 177.419 175.328 0.059 0.000 0.999 17 H CA 1.900 57.993 56.048 0.076 0.000 1.256 17 H CB 0.339 30.157 29.762 0.094 0.000 1.402 17 H HN 0.446 nan 8.280 nan 0.000 0.566 18 G N -0.347 108.549 108.800 0.160 0.000 2.155 18 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.130 18 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.130 18 G C 1.213 176.168 174.900 0.092 0.000 1.027 18 G CA 0.135 45.298 45.100 0.104 0.000 0.705 18 G HN 0.328 nan 8.290 nan 0.000 0.496 19 K N 0.688 121.144 120.400 0.093 0.000 2.009 19 K HA -0.053 4.265 4.320 -0.003 0.000 0.210 19 K C 2.587 179.223 176.600 0.060 0.000 1.049 19 K CA 1.785 58.115 56.287 0.071 0.000 0.929 19 K CB -0.250 32.290 32.500 0.067 0.000 0.714 19 K HN 0.281 nan 8.250 nan 0.000 0.440 20 S N 0.576 116.309 115.700 0.056 0.000 2.382 20 S HA -0.123 4.345 4.470 -0.003 0.000 0.228 20 S C 2.043 176.685 174.600 0.070 0.000 1.027 20 S CA 1.723 59.951 58.200 0.046 0.000 0.991 20 S CB -0.365 62.849 63.200 0.023 0.000 0.823 20 S HN 0.352 nan 8.310 nan 0.000 0.469 21 T N 2.608 117.219 114.554 0.097 0.000 2.777 21 T HA -0.007 4.341 4.350 -0.003 0.000 0.266 21 T C 1.803 176.636 174.700 0.221 0.000 1.040 21 T CA 1.097 63.318 62.100 0.201 0.000 1.141 21 T CB -0.411 68.572 68.868 0.193 0.000 0.868 21 T HN 0.257 nan 8.240 nan 0.000 0.444 22 L N 1.286 122.570 121.223 0.102 0.000 2.056 22 L HA 0.017 4.355 4.340 -0.003 0.000 0.207 22 L C 2.388 179.256 176.870 -0.003 0.000 1.078 22 L CA 1.423 56.280 54.840 0.029 0.000 0.749 22 L CB -0.730 41.334 42.059 0.008 0.000 0.901 22 L HN 0.034 nan 8.230 nan 0.000 0.433 23 V N 0.435 120.363 119.914 0.024 0.000 2.295 23 V HA -0.234 3.884 4.120 -0.003 0.000 0.246 23 V C 2.644 178.756 176.094 0.029 0.000 1.049 23 V CA 1.951 64.253 62.300 0.004 0.000 1.024 23 V CB -1.548 30.298 31.823 0.039 0.000 0.648 23 V HN 0.657 nan 8.190 nan 0.000 0.447 24 G N -0.405 108.470 108.800 0.125 0.000 2.440 24 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.218 24 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.218 24 G C 1.664 176.766 174.900 0.337 0.000 1.154 24 G CA 1.184 46.432 45.100 0.246 0.000 0.767 24 G HN 0.421 nan 8.290 nan 0.000 0.552 25 R N 0.261 120.878 120.500 0.194 0.000 2.073 25 R HA 0.096 4.434 4.340 -0.003 0.000 0.234 25 R C 2.602 178.787 176.300 -0.192 0.000 1.134 25 R CA 1.122 57.116 56.100 -0.176 0.000 0.952 25 R CB -0.741 29.383 30.300 -0.294 0.000 0.850 25 R HN 0.406 nan 8.270 nan 0.000 0.433 26 L N -0.073 120.998 121.223 -0.254 0.000 2.042 26 L HA -0.192 4.146 4.340 -0.003 0.000 0.210 26 L C 2.316 178.954 176.870 -0.387 0.000 1.076 26 L CA 1.287 55.833 54.840 -0.490 0.000 0.749 26 L CB -0.458 41.045 42.059 -0.926 0.000 0.893 26 L HN 0.233 nan 8.230 nan 0.000 0.432 27 L N -1.100 120.010 121.223 -0.188 0.000 2.027 27 L HA -0.250 4.088 4.340 -0.003 0.000 0.206 27 L C 2.647 179.508 176.870 -0.014 0.000 1.074 27 L CA 1.380 56.203 54.840 -0.028 0.000 0.745 27 L CB -0.407 41.694 42.059 0.069 0.000 0.898 27 L HN 0.359 nan 8.230 nan 0.000 0.433 28 M N -0.102 119.511 119.600 0.021 0.000 2.117 28 M HA -0.223 4.255 4.480 -0.003 0.000 0.262 28 M C 1.398 177.676 176.300 -0.037 0.000 1.065 28 M CA 1.931 57.252 55.300 0.036 0.000 1.114 28 M CB -0.075 32.593 32.600 0.114 0.000 1.361 28 M HN 0.157 nan 8.290 nan 0.000 0.408 29 D N -0.222 120.124 120.400 -0.090 0.000 2.289 29 D HA 0.014 4.652 4.640 -0.003 0.000 0.207 29 D C 1.238 177.487 176.300 -0.085 0.000 0.966 29 D CA 0.757 54.703 54.000 -0.089 0.000 0.868 29 D CB 0.175 40.914 40.800 -0.102 0.000 0.943 29 D HN 0.370 nan 8.370 nan 0.000 0.514 30 R N -0.484 119.954 120.500 -0.105 0.000 2.519 30 R HA 0.283 4.621 4.340 -0.003 0.000 0.375 30 R C 0.835 177.025 176.300 -0.183 0.000 0.926 30 R CA -0.079 55.980 56.100 -0.068 0.000 1.166 30 R CB 0.984 31.338 30.300 0.090 0.000 1.626 30 R HN 0.028 nan 8.270 nan 0.000 0.529 31 G N -0.039 108.615 108.800 -0.243 0.000 2.695 31 G HA2 0.463 4.421 3.960 -0.003 0.000 0.213 31 G HA3 0.463 4.421 3.960 -0.003 0.000 0.213 31 G C -0.665 173.711 174.900 -0.873 0.000 1.406 31 G CA -0.276 44.583 45.100 -0.402 0.000 1.049 31 G HN 0.039 nan 8.290 nan 0.000 0.573 32 F N 0.557 120.600 119.950 0.156 0.000 2.710 32 F HA 0.376 4.901 4.527 -0.004 0.000 0.345 32 F C -0.092 175.766 175.800 0.096 0.000 1.362 32 F CA -0.870 57.201 58.000 0.118 0.000 1.175 32 F CB 0.775 39.839 39.000 0.107 0.000 1.561 32 F HN -0.031 nan 8.300 nan 0.000 0.593 33 I N 2.359 123.028 120.570 0.166 0.000 2.529 33 I HA 0.059 4.227 4.170 -0.003 0.000 0.284 33 I C 0.606 176.804 176.117 0.135 0.000 1.082 33 I CA -0.346 61.039 61.300 0.143 0.000 1.406 33 I CB 0.333 38.402 38.000 0.115 0.000 1.405 33 I HN 0.479 nan 8.210 nan 0.000 0.548 34 D N 5.732 126.205 120.400 0.122 0.000 2.449 34 D HA -0.056 4.582 4.640 -0.003 0.000 0.236 34 D C 0.563 176.916 176.300 0.088 0.000 1.149 34 D CA -0.272 53.789 54.000 0.101 0.000 0.878 34 D CB 1.477 42.328 40.800 0.085 0.000 1.198 34 D HN 0.526 nan 8.370 nan 0.000 0.446 35 E N 0.221 120.465 120.200 0.074 0.000 2.118 35 E HA -0.218 4.130 4.350 -0.003 0.000 0.195 35 E C 1.806 178.435 176.600 0.047 0.000 0.992 35 E CA 0.910 57.344 56.400 0.057 0.000 0.804 35 E CB 0.071 29.799 29.700 0.048 0.000 0.741 35 E HN 0.473 nan 8.360 nan 0.000 0.458 36 K N 0.514 120.945 120.400 0.052 0.000 2.097 36 K HA -0.107 4.211 4.320 -0.003 0.000 0.205 36 K C 1.912 178.550 176.600 0.063 0.000 1.050 36 K CA 1.431 57.747 56.287 0.048 0.000 0.938 36 K CB -0.114 32.417 32.500 0.051 0.000 0.718 36 K HN 0.025 nan 8.250 nan 0.000 0.442 37 T N 1.100 115.710 114.554 0.093 0.000 2.770 37 T HA -0.061 4.287 4.350 -0.003 0.000 0.263 37 T C 2.011 176.779 174.700 0.115 0.000 1.039 37 T CA 1.239 63.428 62.100 0.147 0.000 1.142 37 T CB -0.145 68.820 68.868 0.161 0.000 0.868 37 T HN -0.027 nan 8.240 nan 0.000 0.435 38 V N 1.516 121.480 119.914 0.083 0.000 2.252 38 V HA -0.221 3.897 4.120 -0.003 0.000 0.249 38 V C 2.558 178.644 176.094 -0.014 0.000 1.056 38 V CA 1.689 64.020 62.300 0.052 0.000 1.022 38 V CB -0.566 31.287 31.823 0.051 0.000 0.641 38 V HN 0.280 nan 8.190 nan 0.000 0.445 39 K N 0.492 120.881 120.400 -0.017 0.000 2.015 39 K HA -0.237 4.081 4.320 -0.003 0.000 0.216 39 K C 2.070 178.588 176.600 -0.137 0.000 1.052 39 K CA 2.091 58.345 56.287 -0.054 0.000 0.937 39 K CB -0.623 31.860 32.500 -0.027 0.000 0.719 39 K HN 0.638 nan 8.250 nan 0.000 0.446 40 E N -0.552 119.547 120.200 -0.168 0.000 2.130 40 E HA -0.220 4.128 4.350 -0.003 0.000 0.196 40 E C 1.933 178.045 176.600 -0.812 0.000 0.998 40 E CA 1.205 57.387 56.400 -0.363 0.000 0.806 40 E CB -0.199 29.364 29.700 -0.228 0.000 0.738 40 E HN 0.399 nan 8.360 nan 0.000 0.459 41 A N 1.081 123.459 122.820 -0.737 0.000 1.898 41 A HA -0.219 4.099 4.320 -0.003 0.000 0.216 41 A C 1.979 179.364 177.584 -0.331 0.000 1.181 41 A CA 1.493 53.111 52.037 -0.698 0.000 0.620 41 A CB -0.304 18.667 19.000 -0.048 0.000 0.819 41 A HN 0.096 nan 8.150 nan 0.000 0.442 42 E N 0.027 120.106 120.200 -0.201 0.000 2.047 42 E HA -0.154 4.194 4.350 -0.003 0.000 0.191 42 E C 1.994 178.514 176.600 -0.134 0.000 0.987 42 E CA 1.458 57.790 56.400 -0.114 0.000 0.799 42 E CB -0.150 29.508 29.700 -0.070 0.000 0.752 42 E HN 0.729 nan 8.360 nan 0.000 0.449 43 E N 0.059 120.152 120.200 -0.178 0.000 2.058 43 E HA -0.261 4.087 4.350 -0.003 0.000 0.194 43 E C 2.082 178.594 176.600 -0.146 0.000 0.997 43 E CA 1.035 57.347 56.400 -0.146 0.000 0.801 43 E CB -0.225 29.384 29.700 -0.152 0.000 0.746 43 E HN 0.295 nan 8.360 nan 0.000 0.450 44 A N 1.631 124.306 122.820 -0.241 0.000 1.877 44 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 44 A C 2.446 179.994 177.584 -0.061 0.000 1.186 44 A CA 1.828 53.775 52.037 -0.149 0.000 0.620 44 A CB -0.762 18.115 19.000 -0.205 0.000 0.822 44 A HN 0.302 nan 8.150 nan 0.000 0.443 45 A N -0.193 122.589 122.820 -0.063 0.000 1.940 45 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 45 A C 2.105 179.680 177.584 -0.015 0.000 1.176 45 A CA 2.249 54.278 52.037 -0.013 0.000 0.631 45 A CB -0.480 18.517 19.000 -0.005 0.000 0.814 45 A HN 0.607 nan 8.150 nan 0.000 0.446 46 K N 0.087 120.468 120.400 -0.033 0.000 1.985 46 K HA -0.179 4.139 4.320 -0.003 0.000 0.210 46 K C 1.988 178.579 176.600 -0.016 0.000 1.047 46 K CA 1.878 58.150 56.287 -0.024 0.000 0.932 46 K CB -0.234 32.246 32.500 -0.033 0.000 0.716 46 K HN 0.435 nan 8.250 nan 0.000 0.439 47 K N 0.414 120.802 120.400 -0.020 0.000 2.113 47 K HA -0.145 4.173 4.320 -0.003 0.000 0.208 47 K C 2.047 178.647 176.600 0.001 0.000 1.047 47 K CA 1.366 57.647 56.287 -0.009 0.000 0.928 47 K CB -0.134 32.360 32.500 -0.009 0.000 0.716 47 K HN 0.254 nan 8.250 nan 0.000 0.446 48 L N -0.116 121.110 121.223 0.005 0.000 2.418 48 L HA 0.044 4.382 4.340 -0.003 0.000 0.218 48 L C 0.819 177.696 176.870 0.012 0.000 1.125 48 L CA 0.403 55.251 54.840 0.014 0.000 0.835 48 L CB -0.316 41.758 42.059 0.025 0.000 0.953 48 L HN 0.477 nan 8.230 nan 0.000 0.454 49 G N 1.798 110.603 108.800 0.007 0.000 2.314 49 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.292 49 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.292 49 G C 0.068 174.975 174.900 0.012 0.000 1.059 49 G CA 0.427 45.531 45.100 0.007 0.000 0.982 49 G HN 0.388 nan 8.290 nan 0.000 0.505 50 K N -0.518 119.892 120.400 0.017 0.000 2.651 50 K HA 0.325 4.643 4.320 -0.003 0.000 0.259 50 K C 0.918 177.538 176.600 0.033 0.000 1.017 50 K CA -0.560 55.743 56.287 0.026 0.000 0.897 50 K CB 1.039 33.558 32.500 0.032 0.000 1.262 50 K HN 0.029 nan 8.250 nan 0.000 0.460 51 E N 1.381 121.599 120.200 0.030 0.000 2.097 51 E HA -0.182 4.166 4.350 -0.003 0.000 0.196 51 E C 1.218 177.857 176.600 0.065 0.000 1.000 51 E CA 2.515 58.936 56.400 0.035 0.000 0.804 51 E CB 0.137 29.849 29.700 0.021 0.000 0.740 51 E HN 0.575 nan 8.360 nan 0.000 0.454 52 S N -0.307 115.441 115.700 0.079 0.000 2.507 52 S HA -0.140 4.328 4.470 -0.003 0.000 0.235 52 S C 1.806 176.496 174.600 0.150 0.000 0.988 52 S CA 1.020 59.298 58.200 0.130 0.000 0.944 52 S CB -0.200 63.073 63.200 0.122 0.000 0.762 52 S HN 0.306 nan 8.310 nan 0.000 0.526 53 E N 1.982 122.246 120.200 0.107 0.000 2.268 53 E HA -0.057 4.291 4.350 -0.003 0.000 0.195 53 E C 1.775 178.464 176.600 0.149 0.000 0.995 53 E CA 1.179 57.644 56.400 0.110 0.000 0.836 53 E CB -0.305 29.442 29.700 0.079 0.000 0.763 53 E HN 0.646 nan 8.360 nan 0.000 0.491 54 K N -0.558 119.926 120.400 0.140 0.000 2.002 54 K HA -0.126 4.192 4.320 -0.003 0.000 0.209 54 K C 1.945 178.696 176.600 0.252 0.000 1.048 54 K CA 1.441 57.822 56.287 0.157 0.000 0.930 54 K CB -0.417 32.150 32.500 0.112 0.000 0.714 54 K HN 0.164 nan 8.250 nan 0.000 0.438 55 F N 1.850 121.848 119.950 0.079 0.000 2.134 55 F HA -0.139 4.386 4.527 -0.004 0.000 0.299 55 F C 2.151 177.997 175.800 0.077 0.000 1.097 55 F CA 1.150 59.190 58.000 0.068 0.000 1.264 55 F CB -0.672 38.352 39.000 0.040 0.000 1.001 55 F HN -0.013 nan 8.300 nan 0.000 0.479 56 A N -0.144 122.644 122.820 -0.054 0.000 1.908 56 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 56 A C 2.223 179.737 177.584 -0.116 0.000 1.181 56 A CA 1.666 53.598 52.037 -0.174 0.000 0.627 56 A CB -1.644 17.335 19.000 -0.035 0.000 0.818 56 A HN 0.488 nan 8.150 nan 0.000 0.445 57 F N 0.547 120.447 119.950 -0.083 0.000 2.075 57 F HA -0.132 4.393 4.527 -0.003 0.000 0.297 57 F C 1.997 177.759 175.800 -0.063 0.000 1.113 57 F CA 1.783 59.752 58.000 -0.052 0.000 1.218 57 F CB -0.303 38.691 39.000 -0.011 0.000 0.984 57 F HN 0.136 nan 8.300 nan 0.000 0.472 58 L N -0.194 121.134 121.223 0.176 0.000 2.042 58 L HA -0.280 4.058 4.340 -0.003 0.000 0.210 58 L C 2.542 179.356 176.870 -0.093 0.000 1.076 58 L CA 1.293 56.189 54.840 0.092 0.000 0.749 58 L CB -0.877 41.287 42.059 0.175 0.000 0.893 58 L HN 0.262 nan 8.230 nan 0.000 0.432 59 L N -0.527 120.541 121.223 -0.260 0.000 2.042 59 L HA -0.254 4.084 4.340 -0.003 0.000 0.210 59 L C 2.259 178.997 176.870 -0.221 0.000 1.076 59 L CA 1.194 55.848 54.840 -0.310 0.000 0.749 59 L CB -0.517 41.225 42.059 -0.529 0.000 0.893 59 L HN 0.306 nan 8.230 nan 0.000 0.432 60 D N -0.633 119.612 120.400 -0.258 0.000 2.144 60 D HA -0.125 4.513 4.640 -0.003 0.000 0.200 60 D C 2.386 178.548 176.300 -0.230 0.000 0.978 60 D CA 0.746 54.598 54.000 -0.247 0.000 0.833 60 D CB -0.008 40.603 40.800 -0.314 0.000 0.961 60 D HN 0.100 nan 8.370 nan 0.000 0.470 61 R N 0.406 120.749 120.500 -0.262 0.000 2.066 61 R HA -0.008 4.330 4.340 -0.003 0.000 0.232 61 R C 2.585 178.841 176.300 -0.074 0.000 1.131 61 R CA 0.332 56.331 56.100 -0.169 0.000 0.955 61 R CB -0.991 29.244 30.300 -0.108 0.000 0.851 61 R HN 0.297 nan 8.270 nan 0.000 0.432 62 L N 0.699 121.890 121.223 -0.053 0.000 2.012 62 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 62 L C 2.647 179.504 176.870 -0.021 0.000 1.073 62 L CA 1.546 56.379 54.840 -0.012 0.000 0.748 62 L CB -0.463 41.597 42.059 0.002 0.000 0.891 62 L HN 0.165 nan 8.230 nan 0.000 0.431 63 K N 0.320 120.690 120.400 -0.051 0.000 2.147 63 K HA -0.238 4.080 4.320 -0.003 0.000 0.205 63 K C 1.957 178.537 176.600 -0.033 0.000 1.049 63 K CA 1.448 57.711 56.287 -0.040 0.000 0.936 63 K CB 0.052 32.514 32.500 -0.063 0.000 0.722 63 K HN 0.233 nan 8.250 nan 0.000 0.446 64 E N 0.628 120.797 120.200 -0.050 0.000 2.058 64 E HA -0.155 4.193 4.350 -0.003 0.000 0.194 64 E C 0.268 176.860 176.600 -0.013 0.000 0.997 64 E CA 0.944 57.320 56.400 -0.040 0.000 0.801 64 E CB 0.070 29.736 29.700 -0.056 0.000 0.746 64 E HN 0.236 nan 8.360 nan 0.000 0.450 78 R N 0.961 121.665 120.500 0.341 0.000 2.711 78 R HA 0.891 5.229 4.340 -0.003 0.000 0.284 78 R C -1.083 175.607 176.300 0.650 0.000 0.968 78 R CA -0.540 55.797 56.100 0.395 0.000 0.924 78 R CB 2.199 32.654 30.300 0.258 0.000 1.162 78 R HN 0.213 nan 8.270 nan 0.000 0.465 79 F N -1.513 118.710 119.950 0.455 0.000 2.664 79 F HA 0.590 5.115 4.527 -0.004 0.000 0.317 79 F C -0.886 175.202 175.800 0.480 0.000 1.108 79 F CA -1.210 56.994 58.000 0.340 0.000 0.957 79 F CB 1.699 40.791 39.000 0.154 0.000 1.365 79 F HN 0.368 nan 8.300 nan 0.000 0.475 80 E N 0.991 121.479 120.200 0.480 0.000 2.210 80 E HA 0.553 4.901 4.350 -0.003 0.000 0.266 80 E C -1.185 175.548 176.600 0.220 0.000 0.883 80 E CA -0.702 55.847 56.400 0.249 0.000 0.761 80 E CB 2.163 31.987 29.700 0.207 0.000 1.156 80 E HN 0.927 nan 8.360 nan 0.000 0.412 81 T N 1.071 115.720 114.554 0.157 0.000 2.870 81 T HA 0.342 4.690 4.350 -0.003 0.000 0.277 81 T C 0.977 175.681 174.700 0.007 0.000 1.000 81 T CA -0.667 61.543 62.100 0.183 0.000 0.982 81 T CB 1.050 70.144 68.868 0.376 0.000 1.249 81 T HN 0.276 nan 8.240 nan 0.000 0.589 82 K N 0.351 120.757 120.400 0.009 0.000 2.074 82 K HA -0.017 4.301 4.320 -0.003 0.000 0.209 82 K C 1.963 178.465 176.600 -0.162 0.000 1.048 82 K CA 1.749 57.998 56.287 -0.062 0.000 0.926 82 K CB -0.172 32.305 32.500 -0.039 0.000 0.713 82 K HN 0.600 nan 8.250 nan 0.000 0.444 83 K N -2.140 118.115 120.400 -0.241 0.000 2.399 83 K HA 0.131 4.449 4.320 -0.003 0.000 0.196 83 K C -0.259 175.961 176.600 -0.633 0.000 1.103 83 K CA 0.133 56.106 56.287 -0.522 0.000 0.986 83 K CB 0.709 32.684 32.500 -0.875 0.000 0.952 83 K HN -0.023 nan 8.250 nan 0.000 0.541 84 Y N -0.873 119.302 120.300 -0.209 0.000 2.602 84 Y HA 0.418 4.966 4.550 -0.003 0.000 0.342 84 Y C -0.552 175.047 175.900 -0.502 0.000 1.029 84 Y CA -1.542 56.315 58.100 -0.406 0.000 1.080 84 Y CB 0.948 38.966 38.460 -0.736 0.000 1.284 84 Y HN -0.259 nan 8.280 nan 0.000 0.485 85 F N 1.735 121.604 119.950 -0.135 0.000 2.426 85 F HA 0.531 5.056 4.527 -0.004 0.000 0.348 85 F C -1.045 174.482 175.800 -0.456 0.000 1.124 85 F CA -1.125 56.800 58.000 -0.124 0.000 1.008 85 F CB 0.623 39.670 39.000 0.080 0.000 1.139 85 F HN 0.180 nan 8.300 nan 0.000 0.452 86 F N 1.197 121.046 119.950 -0.169 0.000 2.480 86 F HA 0.555 5.080 4.527 -0.004 0.000 0.329 86 F C 0.248 175.902 175.800 -0.243 0.000 1.091 86 F CA -0.719 57.049 58.000 -0.387 0.000 0.972 86 F CB 2.068 40.463 39.000 -1.009 0.000 1.150 86 F HN 0.177 nan 8.300 nan 0.000 0.467 87 T N 4.397 119.005 114.554 0.089 0.000 2.792 87 T HA 0.533 4.881 4.350 -0.003 0.000 0.280 87 T C -0.162 174.635 174.700 0.161 0.000 0.990 87 T CA -0.454 61.709 62.100 0.106 0.000 0.960 87 T CB 0.864 69.749 68.868 0.029 0.000 0.939 87 T HN 0.292 nan 8.240 nan 0.000 0.439 88 I N 5.063 125.755 120.570 0.204 0.000 2.352 88 I HA 0.386 4.554 4.170 -0.003 0.000 0.290 88 I C 0.490 176.669 176.117 0.103 0.000 1.036 88 I CA -0.490 60.919 61.300 0.181 0.000 1.336 88 I CB 0.473 38.599 38.000 0.210 0.000 1.407 88 I HN 0.582 nan 8.210 nan 0.000 0.497 89 I N 2.340 122.957 120.570 0.078 0.000 3.100 89 I HA 0.520 4.688 4.170 -0.003 0.000 0.312 89 I C -0.423 175.695 176.117 0.001 0.000 1.063 89 I CA -1.047 60.280 61.300 0.045 0.000 1.031 89 I CB 1.086 39.123 38.000 0.062 0.000 1.243 89 I HN 0.276 nan 8.210 nan 0.000 0.483 90 D N 2.668 123.057 120.400 -0.018 0.000 2.493 90 D HA 0.304 4.942 4.640 -0.003 0.000 0.240 90 D C 0.089 176.360 176.300 -0.049 0.000 1.142 90 D CA 0.415 54.334 54.000 -0.134 0.000 0.872 90 D CB 1.302 42.073 40.800 -0.049 0.000 1.173 90 D HN 0.741 nan 8.370 nan 0.000 0.467 91 A N 4.309 126.961 122.820 -0.280 0.000 2.252 91 A HA 0.576 4.894 4.320 -0.003 0.000 0.305 91 A C -2.247 174.974 177.584 -0.605 0.000 1.097 91 A CA -1.266 50.594 52.037 -0.295 0.000 0.849 91 A CB 0.313 19.195 19.000 -0.196 0.000 1.142 91 A HN 0.345 nan 8.150 nan 0.000 0.499 92 P HA 0.182 nan 4.420 nan 0.000 0.269 92 P C 0.823 177.886 177.300 -0.396 0.000 1.211 92 P CA 1.707 64.031 63.100 -1.293 0.000 0.781 92 P CB 0.530 31.623 31.700 -1.012 0.000 0.877 93 G N 0.008 108.657 108.800 -0.253 0.000 2.213 93 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.226 93 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.226 93 G C -0.079 174.702 174.900 -0.198 0.000 0.992 93 G CA -0.100 44.914 45.100 -0.143 0.000 0.632 93 G HN 0.665 nan 8.290 nan 0.000 0.511 94 H N -0.074 118.952 119.070 -0.073 0.000 2.496 94 H HA 0.670 5.223 4.556 -0.004 0.000 0.342 94 H C 0.706 176.085 175.328 0.086 0.000 1.170 94 H CA -0.415 55.643 56.048 0.017 0.000 1.274 94 H CB 0.781 30.563 29.762 0.034 0.000 1.538 94 H HN 0.364 nan 8.280 nan 0.000 0.542 95 R N 1.192 121.784 120.500 0.153 0.000 2.538 95 R HA -0.080 4.258 4.340 -0.003 0.000 0.282 95 R C -0.466 175.924 176.300 0.150 0.000 1.009 95 R CA 0.367 56.538 56.100 0.118 0.000 1.063 95 R CB -0.085 30.261 30.300 0.078 0.000 0.945 95 R HN 0.773 nan 8.270 nan 0.000 0.414 96 D N 2.823 123.297 120.400 0.123 0.000 3.076 96 D HA -0.269 4.369 4.640 -0.003 0.000 0.218 96 D C 0.426 176.791 176.300 0.107 0.000 1.156 96 D CA 1.224 55.279 54.000 0.091 0.000 0.921 96 D CB -1.332 39.505 40.800 0.061 0.000 1.113 96 D HN 0.561 nan 8.370 nan 0.000 0.418 97 F N 1.028 121.003 119.950 0.042 0.000 2.069 97 F HA -0.236 4.289 4.527 -0.004 0.000 0.298 97 F C 2.063 177.871 175.800 0.014 0.000 1.113 97 F CA 1.950 59.970 58.000 0.034 0.000 1.214 97 F CB -0.382 38.648 39.000 0.050 0.000 0.978 97 F HN 0.032 nan 8.300 nan 0.000 0.474 98 V N 0.929 120.751 119.914 -0.153 0.000 2.323 98 V HA -0.272 3.846 4.120 -0.003 0.000 0.244 98 V C 2.488 178.463 176.094 -0.199 0.000 1.041 98 V CA 2.154 64.304 62.300 -0.250 0.000 1.025 98 V CB -0.873 30.927 31.823 -0.039 0.000 0.656 98 V HN 0.358 nan 8.190 nan 0.000 0.451 99 K N 0.792 121.135 120.400 -0.096 0.000 2.044 99 K HA -0.278 4.040 4.320 -0.003 0.000 0.210 99 K C 1.850 178.381 176.600 -0.114 0.000 1.049 99 K CA 2.506 58.745 56.287 -0.080 0.000 0.927 99 K CB -0.400 32.084 32.500 -0.028 0.000 0.713 99 K HN 0.608 nan 8.250 nan 0.000 0.443 100 N N -0.199 118.430 118.700 -0.118 0.000 2.223 100 N HA -0.111 4.627 4.740 -0.003 0.000 0.185 100 N C 1.868 177.280 175.510 -0.163 0.000 1.016 100 N CA 1.231 54.213 53.050 -0.113 0.000 0.863 100 N CB -0.032 38.411 38.487 -0.074 0.000 0.983 100 N HN 0.266 nan 8.380 nan 0.000 0.429 101 M N 0.276 119.722 119.600 -0.256 0.000 2.200 101 M HA -0.049 4.429 4.480 -0.003 0.000 0.265 101 M C 1.902 178.060 176.300 -0.236 0.000 1.066 101 M CA 1.123 56.270 55.300 -0.254 0.000 1.127 101 M CB -0.180 32.202 32.600 -0.363 0.000 1.379 101 M HN 0.169 nan 8.290 nan 0.000 0.420 102 I N 0.162 120.592 120.570 -0.233 0.000 2.252 102 I HA -0.252 3.916 4.170 -0.003 0.000 0.245 102 I C 2.564 178.520 176.117 -0.268 0.000 1.102 102 I CA 1.809 62.953 61.300 -0.260 0.000 1.385 102 I CB -0.526 37.356 38.000 -0.197 0.000 1.064 102 I HN 0.404 nan 8.210 nan 0.000 0.414 103 T N -2.113 112.329 114.554 -0.186 0.000 3.055 103 T HA 0.138 4.486 4.350 -0.003 0.000 0.265 103 T C 1.602 176.229 174.700 -0.121 0.000 1.111 103 T CA 0.716 62.728 62.100 -0.147 0.000 1.118 103 T CB 0.258 69.069 68.868 -0.094 0.000 0.909 103 T HN 0.565 nan 8.240 nan 0.000 0.501 104 G N 0.592 109.319 108.800 -0.123 0.000 2.175 104 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.244 104 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.244 104 G C 1.136 176.017 174.900 -0.033 0.000 0.982 104 G CA 0.243 45.307 45.100 -0.059 0.000 0.641 104 G HN 1.090 nan 8.290 nan 0.000 0.527 105 A N -0.358 122.434 122.820 -0.046 0.000 2.070 105 A HA 0.468 4.786 4.320 -0.003 0.000 0.220 105 A C 1.713 179.285 177.584 -0.021 0.000 1.159 105 A CA 2.471 54.491 52.037 -0.027 0.000 0.656 105 A CB -0.260 18.723 19.000 -0.028 0.000 0.800 105 A HN 2.173 nan 8.150 nan 0.000 0.453 106 S N -2.571 113.108 115.700 -0.036 0.000 2.661 106 S HA 0.716 5.184 4.470 -0.003 0.000 0.285 106 S C -0.912 173.673 174.600 -0.025 0.000 1.138 106 S CA -0.544 57.642 58.200 -0.023 0.000 0.855 106 S CB 1.884 65.065 63.200 -0.032 0.000 1.136 106 S HN 0.401 nan 8.310 nan 0.000 0.484 107 Q N -0.395 119.405 119.800 0.000 0.000 2.766 107 Q HA 0.538 4.876 4.340 -0.003 0.000 0.240 107 Q C -1.785 174.237 176.000 0.037 0.000 0.993 107 Q CA -0.291 55.521 55.803 0.014 0.000 1.006 107 Q CB 1.658 30.421 28.738 0.041 0.000 1.804 107 Q HN 1.314 nan 8.270 nan 0.000 0.464 108 A N 2.356 125.205 122.820 0.047 0.000 2.301 108 A HA 0.442 4.760 4.320 -0.003 0.000 0.298 108 A C -0.237 177.380 177.584 0.056 0.000 1.185 108 A CA -0.224 51.852 52.037 0.065 0.000 0.830 108 A CB 0.437 19.487 19.000 0.085 0.000 1.112 108 A HN 0.822 nan 8.150 nan 0.000 0.508 109 D N 0.885 121.319 120.400 0.056 0.000 2.355 109 D HA 0.349 4.987 4.640 -0.003 0.000 0.206 109 D C 0.605 176.935 176.300 0.049 0.000 1.010 109 D CA 1.468 55.489 54.000 0.034 0.000 0.875 109 D CB 0.662 41.465 40.800 0.006 0.000 0.966 109 D HN 0.707 nan 8.370 nan 0.000 0.512 110 A N -0.005 122.863 122.820 0.081 0.000 2.610 110 A HA 0.750 5.068 4.320 -0.003 0.000 0.291 110 A C -1.656 175.973 177.584 0.076 0.000 1.086 110 A CA -0.281 51.806 52.037 0.083 0.000 0.677 110 A CB 1.751 20.819 19.000 0.113 0.000 1.278 110 A HN 0.058 nan 8.150 nan 0.000 0.414 111 A N 0.191 123.046 122.820 0.058 0.000 2.539 111 A HA 0.818 5.136 4.320 -0.003 0.000 0.296 111 A C -1.313 176.279 177.584 0.014 0.000 1.073 111 A CA -0.363 51.703 52.037 0.047 0.000 0.700 111 A CB 0.969 20.011 19.000 0.069 0.000 1.296 111 A HN 0.908 nan 8.150 nan 0.000 0.405 112 I N 1.763 122.337 120.570 0.008 0.000 2.436 112 I HA 0.362 4.530 4.170 -0.003 0.000 0.289 112 I C -0.696 175.422 176.117 0.003 0.000 1.010 112 I CA -0.455 60.837 61.300 -0.013 0.000 1.098 112 I CB 1.811 39.804 38.000 -0.011 0.000 1.266 112 I HN 0.562 nan 8.210 nan 0.000 0.434 113 L N 7.429 128.642 121.223 -0.016 0.000 2.272 113 L HA 0.533 4.871 4.340 -0.003 0.000 0.289 113 L C -0.823 176.068 176.870 0.036 0.000 1.032 113 L CA -0.631 54.218 54.840 0.016 0.000 0.810 113 L CB 1.465 43.510 42.059 -0.024 0.000 1.205 113 L HN 0.319 nan 8.230 nan 0.000 0.422 114 V N 5.976 125.937 119.914 0.079 0.000 2.407 114 V HA 0.345 4.463 4.120 -0.003 0.000 0.278 114 V C -0.010 176.194 176.094 0.184 0.000 1.037 114 V CA -0.447 61.919 62.300 0.110 0.000 0.900 114 V CB 1.743 33.635 31.823 0.114 0.000 0.983 114 V HN 0.489 nan 8.190 nan 0.000 0.459 115 V N 3.990 124.023 119.914 0.198 0.000 2.483 115 V HA 0.354 4.472 4.120 -0.003 0.000 0.297 115 V C 0.179 176.380 176.094 0.178 0.000 1.027 115 V CA -0.416 62.059 62.300 0.292 0.000 0.855 115 V CB 2.035 34.012 31.823 0.258 0.000 0.995 115 V HN 0.878 nan 8.190 nan 0.000 0.424 116 S N 3.667 119.365 115.700 -0.002 0.000 2.528 116 S HA 0.451 4.919 4.470 -0.003 0.000 0.277 116 S C 1.194 175.742 174.600 -0.087 0.000 1.297 116 S CA 0.182 58.229 58.200 -0.256 0.000 1.052 116 S CB 1.331 64.059 63.200 -0.787 0.000 0.917 116 S HN 1.031 nan 8.310 nan 0.000 0.492 117 A N 4.694 127.486 122.820 -0.046 0.000 2.208 117 A HA 0.203 4.521 4.320 -0.003 0.000 0.209 117 A C 1.016 178.576 177.584 -0.040 0.000 1.161 117 A CA 0.111 52.128 52.037 -0.032 0.000 0.782 117 A CB -0.210 18.789 19.000 -0.003 0.000 0.816 117 A HN 0.796 nan 8.150 nan 0.000 0.477 118 K N 1.083 121.443 120.400 -0.067 0.000 2.448 118 K HA 0.037 4.355 4.320 -0.003 0.000 0.278 118 K C 0.147 176.731 176.600 -0.026 0.000 1.009 118 K CA -0.375 55.877 56.287 -0.058 0.000 0.995 118 K CB 0.375 32.829 32.500 -0.077 0.000 0.917 118 K HN 0.034 nan 8.250 nan 0.000 0.481 119 K N 2.966 123.355 120.400 -0.018 0.000 2.530 119 K HA -0.072 4.246 4.320 -0.003 0.000 0.280 119 K C 0.835 177.435 176.600 0.000 0.000 1.004 119 K CA 1.599 57.886 56.287 0.000 0.000 1.071 119 K CB -0.300 32.195 32.500 -0.010 0.000 0.876 119 K HN 0.810 nan 8.250 nan 0.000 0.487 120 G N 4.208 113.015 108.800 0.013 0.000 2.498 120 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.229 120 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.229 120 G C 1.074 175.960 174.900 -0.024 0.000 1.156 120 G CA 0.508 45.603 45.100 -0.009 0.000 0.680 120 G HN 0.666 nan 8.290 nan 0.000 0.512 121 E N -0.487 119.698 120.200 -0.024 0.000 2.028 121 E HA -0.097 4.251 4.350 -0.003 0.000 0.191 121 E C 2.047 178.640 176.600 -0.013 0.000 0.988 121 E CA 1.382 57.758 56.400 -0.039 0.000 0.799 121 E CB -0.221 29.364 29.700 -0.191 0.000 0.755 121 E HN 0.667 nan 8.360 nan 0.000 0.447 122 Y N 2.447 122.687 120.300 -0.100 0.000 2.114 122 Y HA -0.269 4.279 4.550 -0.003 0.000 0.282 122 Y C 1.906 177.773 175.900 -0.054 0.000 1.165 122 Y CA 2.036 60.115 58.100 -0.036 0.000 1.148 122 Y CB -0.209 38.216 38.460 -0.057 0.000 0.972 122 Y HN -0.055 nan 8.280 nan 0.000 0.504 123 E N 0.370 120.374 120.200 -0.326 0.000 2.077 123 E HA -0.148 4.200 4.350 -0.003 0.000 0.193 123 E C 2.403 178.790 176.600 -0.354 0.000 0.989 123 E CA 1.488 57.663 56.400 -0.375 0.000 0.800 123 E CB -0.585 29.038 29.700 -0.129 0.000 0.746 123 E HN 0.576 nan 8.360 nan 0.000 0.452 124 A N 0.475 123.126 122.820 -0.282 0.000 1.898 124 A HA -0.047 4.271 4.320 -0.003 0.000 0.216 124 A C 2.445 179.685 177.584 -0.574 0.000 1.181 124 A CA 1.665 53.506 52.037 -0.326 0.000 0.620 124 A CB -1.187 17.669 19.000 -0.239 0.000 0.819 124 A HN 0.357 nan 8.150 nan 0.000 0.442 125 G N -1.223 107.163 108.800 -0.690 0.000 2.422 125 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.218 125 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.218 125 G C 1.313 175.912 174.900 -0.503 0.000 1.146 125 G CA 1.179 45.814 45.100 -0.775 0.000 0.769 125 G HN 0.347 nan 8.290 nan 0.000 0.547 126 M N 1.806 121.075 119.600 -0.552 0.000 2.561 126 M HA 0.159 4.637 4.480 -0.003 0.000 0.238 126 M C 1.510 177.564 176.300 -0.411 0.000 1.131 126 M CA -0.180 54.795 55.300 -0.541 0.000 1.046 126 M CB -0.504 31.675 32.600 -0.702 0.000 1.532 126 M HN 0.292 nan 8.290 nan 0.000 0.497 127 S N -0.804 114.698 115.700 -0.330 0.000 2.617 127 S HA 0.171 4.639 4.470 -0.003 0.000 0.259 127 S C 1.413 175.916 174.600 -0.162 0.000 1.301 127 S CA -0.296 57.777 58.200 -0.212 0.000 0.984 127 S CB 1.130 64.230 63.200 -0.166 0.000 0.954 127 S HN 0.162 nan 8.310 nan 0.000 0.572 128 V N 0.767 120.626 119.914 -0.091 0.000 2.324 128 V HA -0.165 3.953 4.120 -0.003 0.000 0.250 128 V C 1.903 177.969 176.094 -0.046 0.000 1.060 128 V CA 2.322 64.595 62.300 -0.045 0.000 1.042 128 V CB -0.882 30.934 31.823 -0.011 0.000 0.650 128 V HN 0.884 nan 8.190 nan 0.000 0.450 129 E N 0.266 120.434 120.200 -0.053 0.000 2.474 129 E HA 0.212 4.560 4.350 -0.003 0.000 0.195 129 E C 0.907 177.480 176.600 -0.045 0.000 1.039 129 E CA 0.495 56.872 56.400 -0.038 0.000 0.881 129 E CB 0.345 30.031 29.700 -0.023 0.000 0.970 129 E HN 0.686 nan 8.360 nan 0.000 0.486 130 G N 0.892 109.639 108.800 -0.088 0.000 2.476 130 G HA2 0.079 4.037 3.960 -0.003 0.000 0.269 130 G HA3 0.079 4.037 3.960 -0.003 0.000 0.269 130 G C 0.466 175.308 174.900 -0.097 0.000 1.195 130 G CA -0.285 44.771 45.100 -0.072 0.000 0.843 130 G HN -0.064 nan 8.290 nan 0.000 0.545 131 Q N -0.082 119.720 119.800 0.002 0.000 2.432 131 Q HA 0.052 4.390 4.340 -0.003 0.000 0.205 131 Q C 2.626 178.356 176.000 -0.451 0.000 0.945 131 Q CA 0.899 56.467 55.803 -0.391 0.000 0.924 131 Q CB 0.122 28.458 28.738 -0.670 0.000 1.016 131 Q HN 0.623 nan 8.270 nan 0.000 0.503 132 T N -0.115 114.275 114.554 -0.274 0.000 2.737 132 T HA -0.159 4.189 4.350 -0.003 0.000 0.265 132 T C 1.690 176.257 174.700 -0.222 0.000 1.038 132 T CA 1.355 63.320 62.100 -0.224 0.000 1.144 132 T CB -0.099 68.644 68.868 -0.209 0.000 0.866 132 T HN 0.311 nan 8.240 nan 0.000 0.434 133 R N 1.146 121.452 120.500 -0.323 0.000 2.073 133 R HA -0.110 4.228 4.340 -0.003 0.000 0.234 133 R C 2.411 178.644 176.300 -0.111 0.000 1.134 133 R CA 1.727 57.600 56.100 -0.379 0.000 0.952 133 R CB -0.238 29.782 30.300 -0.467 0.000 0.850 133 R HN 0.479 nan 8.270 nan 0.000 0.433 134 E N -0.552 119.586 120.200 -0.103 0.000 2.058 134 E HA -0.237 4.111 4.350 -0.003 0.000 0.194 134 E C 1.747 178.444 176.600 0.161 0.000 0.997 134 E CA 1.534 57.937 56.400 0.006 0.000 0.801 134 E CB -0.038 29.641 29.700 -0.036 0.000 0.746 134 E HN 0.518 nan 8.360 nan 0.000 0.450 135 H N 0.019 119.089 119.070 0.000 0.000 2.462 135 H HA -0.013 4.541 4.556 -0.004 0.000 0.292 135 H C 2.094 177.471 175.328 0.082 0.000 1.049 135 H CA 0.845 56.910 56.048 0.029 0.000 1.334 135 H CB -0.197 29.562 29.762 -0.005 0.000 1.404 135 H HN 0.252 nan 8.280 nan 0.000 0.544 136 I N -0.000 120.687 120.570 0.196 0.000 2.252 136 I HA -0.223 3.945 4.170 -0.003 0.000 0.245 136 I C 2.033 178.341 176.117 0.319 0.000 1.102 136 I CA 1.103 62.533 61.300 0.217 0.000 1.385 136 I CB -0.175 37.949 38.000 0.206 0.000 1.064 136 I HN 0.131 nan 8.210 nan 0.000 0.414 137 I N 0.101 120.792 120.570 0.200 0.000 2.315 137 I HA -0.283 3.885 4.170 -0.003 0.000 0.248 137 I C 2.468 178.692 176.117 0.178 0.000 1.117 137 I CA 1.041 62.424 61.300 0.139 0.000 1.404 137 I CB -0.257 37.753 38.000 0.017 0.000 1.071 137 I HN 0.241 nan 8.210 nan 0.000 0.419 138 L N 1.258 122.593 121.223 0.187 0.000 2.046 138 L HA -0.117 4.221 4.340 -0.003 0.000 0.208 138 L C 2.514 179.490 176.870 0.176 0.000 1.077 138 L CA 2.076 57.021 54.840 0.176 0.000 0.747 138 L CB -0.717 41.447 42.059 0.175 0.000 0.896 138 L HN 0.163 nan 8.230 nan 0.000 0.432 139 A N -0.586 122.374 122.820 0.233 0.000 1.972 139 A HA -0.231 4.087 4.320 -0.003 0.000 0.219 139 A C 2.329 180.005 177.584 0.153 0.000 1.169 139 A CA 1.810 53.999 52.037 0.252 0.000 0.635 139 A CB -0.568 18.666 19.000 0.391 0.000 0.810 139 A HN 0.466 nan 8.150 nan 0.000 0.446 140 K N 0.134 120.610 120.400 0.128 0.000 2.097 140 K HA -0.109 4.209 4.320 -0.003 0.000 0.205 140 K C 2.112 178.661 176.600 -0.085 0.000 1.050 140 K CA 2.165 58.318 56.287 -0.225 0.000 0.938 140 K CB -0.722 31.715 32.500 -0.105 0.000 0.718 140 K HN 0.536 nan 8.250 nan 0.000 0.442 141 T N -1.339 113.233 114.554 0.029 0.000 2.915 141 T HA -0.100 4.248 4.350 -0.003 0.000 0.269 141 T C 1.692 176.414 174.700 0.036 0.000 1.071 141 T CA 1.244 63.369 62.100 0.042 0.000 1.132 141 T CB -0.227 68.687 68.868 0.077 0.000 0.878 141 T HN 0.207 nan 8.240 nan 0.000 0.479 142 M N 0.562 120.188 119.600 0.044 0.000 2.561 142 M HA 0.311 4.789 4.480 -0.003 0.000 0.238 142 M C 1.648 177.963 176.300 0.024 0.000 1.131 142 M CA 0.581 55.910 55.300 0.048 0.000 1.046 142 M CB 0.062 32.708 32.600 0.077 0.000 1.532 142 M HN 0.546 nan 8.290 nan 0.000 0.497 143 G N 1.833 110.617 108.800 -0.026 0.000 2.176 143 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.252 143 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.252 143 G C 0.006 174.884 174.900 -0.037 0.000 1.024 143 G CA -0.252 44.814 45.100 -0.057 0.000 0.755 143 G HN 0.470 nan 8.290 nan 0.000 0.507 144 L N 1.644 122.864 121.223 -0.006 0.000 2.648 144 L HA 0.219 4.557 4.340 -0.003 0.000 0.238 144 L C 1.728 178.676 176.870 0.130 0.000 1.316 144 L CA 0.052 54.937 54.840 0.074 0.000 1.241 144 L CB 0.133 42.272 42.059 0.133 0.000 1.499 144 L HN 0.416 nan 8.230 nan 0.000 0.411 145 D N -0.265 120.161 120.400 0.044 0.000 2.350 145 D HA -0.218 4.420 4.640 -0.003 0.000 0.216 145 D C 0.851 177.254 176.300 0.173 0.000 0.968 145 D CA 0.844 54.902 54.000 0.097 0.000 0.894 145 D CB 0.263 41.067 40.800 0.005 0.000 0.909 145 D HN 0.503 nan 8.370 nan 0.000 0.520 146 Q N 0.203 120.075 119.800 0.120 0.000 2.201 146 Q HA 0.219 4.557 4.340 -0.003 0.000 0.236 146 Q C -0.072 175.954 176.000 0.042 0.000 0.857 146 Q CA -0.723 55.126 55.803 0.077 0.000 1.025 146 Q CB 0.610 29.386 28.738 0.063 0.000 1.124 146 Q HN 0.147 nan 8.270 nan 0.000 0.473 147 L N 1.343 122.608 121.223 0.070 0.000 2.543 147 L HA 0.000 4.338 4.340 -0.003 0.000 0.285 147 L C -0.532 176.247 176.870 -0.152 0.000 1.236 147 L CA 1.076 55.908 54.840 -0.014 0.000 0.871 147 L CB 0.396 42.443 42.059 -0.020 0.000 1.121 147 L HN 0.152 nan 8.230 nan 0.000 0.501 148 I N 4.970 125.447 120.570 -0.154 0.000 2.378 148 I HA 0.298 4.466 4.170 -0.003 0.000 0.291 148 I C -0.794 175.179 176.117 -0.240 0.000 0.992 148 I CA -0.720 60.443 61.300 -0.228 0.000 1.154 148 I CB 1.761 39.695 38.000 -0.110 0.000 1.315 148 I HN 0.208 nan 8.210 nan 0.000 0.448 149 V N 6.182 125.864 119.914 -0.387 0.000 2.328 149 V HA 0.494 4.612 4.120 -0.003 0.000 0.278 149 V C 0.385 176.430 176.094 -0.082 0.000 1.021 149 V CA -0.596 61.518 62.300 -0.311 0.000 0.838 149 V CB 1.280 32.681 31.823 -0.703 0.000 0.999 149 V HN 0.800 nan 8.190 nan 0.000 0.447 150 A N 5.362 128.184 122.820 0.003 0.000 2.279 150 A HA 0.634 4.952 4.320 -0.003 0.000 0.306 150 A C -0.247 177.403 177.584 0.110 0.000 1.300 150 A CA -0.363 51.708 52.037 0.058 0.000 0.925 150 A CB 0.540 19.556 19.000 0.027 0.000 1.152 150 A HN 0.656 nan 8.150 nan 0.000 0.544 151 V N 4.709 124.733 119.914 0.184 0.000 2.339 151 V HA 0.101 4.219 4.120 -0.003 0.000 0.261 151 V C 0.499 176.668 176.094 0.124 0.000 1.058 151 V CA -0.360 62.065 62.300 0.208 0.000 0.897 151 V CB -0.055 31.997 31.823 0.380 0.000 1.052 151 V HN 0.935 nan 8.190 nan 0.000 0.480 152 N N 3.329 122.076 118.700 0.079 0.000 2.447 152 N HA 0.321 5.059 4.740 -0.003 0.000 0.271 152 N C 0.389 175.902 175.510 0.005 0.000 1.226 152 N CA -0.515 52.556 53.050 0.035 0.000 0.980 152 N CB 0.506 39.017 38.487 0.040 0.000 1.206 152 N HN 0.534 nan 8.380 nan 0.000 0.558 153 K N 0.126 120.519 120.400 -0.012 0.000 3.071 153 K HA -0.185 4.133 4.320 -0.003 0.000 0.265 153 K C 0.415 176.975 176.600 -0.068 0.000 1.060 153 K CA 0.221 56.483 56.287 -0.043 0.000 0.767 153 K CB -1.177 31.287 32.500 -0.060 0.000 1.241 153 K HN 0.526 nan 8.250 nan 0.000 0.486 154 M N 0.801 120.374 119.600 -0.045 0.000 2.358 154 M HA -0.128 4.350 4.480 -0.003 0.000 0.264 154 M C 1.748 177.832 176.300 -0.360 0.000 1.064 154 M CA 1.825 57.087 55.300 -0.063 0.000 1.093 154 M CB -0.698 31.950 32.600 0.080 0.000 1.401 154 M HN 0.341 nan 8.290 nan 0.000 0.440 155 D N -0.362 119.760 120.400 -0.463 0.000 2.348 155 D HA -0.124 4.514 4.640 -0.003 0.000 0.216 155 D C 1.576 177.638 176.300 -0.397 0.000 0.970 155 D CA 0.705 54.245 54.000 -0.766 0.000 0.889 155 D CB -0.487 40.100 40.800 -0.355 0.000 0.912 155 D HN 0.370 nan 8.370 nan 0.000 0.524 156 L N 1.121 122.206 121.223 -0.229 0.000 2.667 156 L HA 0.141 4.479 4.340 -0.003 0.000 0.232 156 L C 0.944 177.747 176.870 -0.112 0.000 1.138 156 L CA -0.176 54.581 54.840 -0.139 0.000 0.921 156 L CB -0.076 41.929 42.059 -0.090 0.000 1.180 156 L HN 0.002 nan 8.230 nan 0.000 0.487 157 T N -2.372 112.106 114.554 -0.128 0.000 2.726 157 T HA 0.205 4.553 4.350 -0.003 0.000 0.294 157 T C 0.104 174.763 174.700 -0.067 0.000 1.013 157 T CA -0.489 61.564 62.100 -0.078 0.000 0.996 157 T CB 1.138 69.974 68.868 -0.054 0.000 1.016 157 T HN 0.124 nan 8.240 nan 0.000 0.529 158 E N 2.116 122.290 120.200 -0.044 0.000 2.186 158 E HA 0.347 4.695 4.350 -0.003 0.000 0.255 158 E C -2.118 174.469 176.600 -0.022 0.000 0.881 158 E CA -1.809 54.573 56.400 -0.030 0.000 0.752 158 E CB 1.251 30.936 29.700 -0.025 0.000 1.176 158 E HN 0.608 nan 8.360 nan 0.000 0.421 159 P HA 0.283 nan 4.420 nan 0.000 0.276 159 P C -2.709 174.586 177.300 -0.008 0.000 1.261 159 P CA -1.753 61.349 63.100 0.003 0.000 0.800 159 P CB 0.080 31.798 31.700 0.030 0.000 1.066 160 P HA -0.003 nan 4.420 nan 0.000 0.266 160 P C -0.728 176.570 177.300 -0.005 0.000 1.195 160 P CA 0.559 63.557 63.100 -0.171 0.000 0.768 160 P CB -0.333 31.262 31.700 -0.175 0.000 0.838 161 Y N -1.292 119.080 120.300 0.120 0.000 3.477 161 Y HA -0.255 4.293 4.550 -0.003 0.000 0.216 161 Y C 0.397 176.500 175.900 0.338 0.000 1.296 161 Y CA 0.010 58.252 58.100 0.237 0.000 1.535 161 Y CB -2.243 36.339 38.460 0.203 0.000 1.482 161 Y HN 0.341 nan 8.280 nan 0.000 0.597 162 D N 0.999 121.526 120.400 0.212 0.000 2.336 162 D HA 0.116 4.754 4.640 -0.003 0.000 0.249 162 D C 1.189 177.343 176.300 -0.243 0.000 1.213 162 D CA 0.242 54.248 54.000 0.010 0.000 0.870 162 D CB 0.763 41.542 40.800 -0.035 0.000 1.076 162 D HN 0.489 nan 8.370 nan 0.000 0.483 163 E N 3.715 123.455 120.200 -0.766 0.000 2.085 163 E HA -0.268 4.079 4.350 -0.003 0.000 0.194 163 E C 1.532 177.794 176.600 -0.564 0.000 0.994 163 E CA 0.978 56.550 56.400 -1.379 0.000 0.801 163 E CB 0.196 28.939 29.700 -1.594 0.000 0.743 163 E HN 0.466 nan 8.360 nan 0.000 0.453 164 K N 0.411 120.598 120.400 -0.356 0.000 2.026 164 K HA -0.243 4.075 4.320 -0.003 0.000 0.208 164 K C 2.364 178.862 176.600 -0.169 0.000 1.048 164 K CA 1.571 57.729 56.287 -0.215 0.000 0.929 164 K CB -0.123 32.283 32.500 -0.157 0.000 0.713 164 K HN -0.074 nan 8.250 nan 0.000 0.439 165 R N 0.120 120.536 120.500 -0.141 0.000 2.081 165 R HA -0.198 4.140 4.340 -0.003 0.000 0.235 165 R C 2.179 178.409 176.300 -0.118 0.000 1.131 165 R CA 1.804 57.831 56.100 -0.121 0.000 0.960 165 R CB -1.060 29.190 30.300 -0.082 0.000 0.856 165 R HN 0.407 nan 8.270 nan 0.000 0.436 166 Y N 1.077 121.267 120.300 -0.183 0.000 2.145 166 Y HA -0.133 4.415 4.550 -0.003 0.000 0.286 166 Y C 1.550 177.356 175.900 -0.155 0.000 1.145 166 Y CA 2.026 60.056 58.100 -0.116 0.000 1.148 166 Y CB -0.073 38.407 38.460 0.034 0.000 0.981 166 Y HN 0.047 nan 8.280 nan 0.000 0.507 167 K N 0.065 120.327 120.400 -0.229 0.000 2.147 167 K HA -0.176 4.142 4.320 -0.003 0.000 0.205 167 K C 2.000 178.406 176.600 -0.323 0.000 1.049 167 K CA 1.714 57.813 56.287 -0.313 0.000 0.936 167 K CB -0.158 32.240 32.500 -0.169 0.000 0.722 167 K HN 0.463 nan 8.250 nan 0.000 0.446 168 E N 0.769 120.811 120.200 -0.264 0.000 2.072 168 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 168 E C 1.978 178.393 176.600 -0.308 0.000 0.985 168 E CA 0.918 57.178 56.400 -0.232 0.000 0.801 168 E CB -0.001 29.587 29.700 -0.185 0.000 0.750 168 E HN 0.255 nan 8.360 nan 0.000 0.452 169 I N 0.277 120.585 120.570 -0.437 0.000 2.202 169 I HA -0.236 3.932 4.170 -0.003 0.000 0.242 169 I C 2.270 178.141 176.117 -0.410 0.000 1.091 169 I CA 0.661 61.627 61.300 -0.557 0.000 1.368 169 I CB -0.104 37.518 38.000 -0.630 0.000 1.058 169 I HN 0.006 nan 8.210 nan 0.000 0.410 170 V N 0.830 120.382 119.914 -0.604 0.000 2.343 170 V HA -0.335 3.783 4.120 -0.003 0.000 0.247 170 V C 2.175 177.895 176.094 -0.624 0.000 1.051 170 V CA 2.369 64.123 62.300 -0.911 0.000 1.036 170 V CB -0.627 30.507 31.823 -1.148 0.000 0.654 170 V HN 0.462 nan 8.190 nan 0.000 0.451 171 D N -0.624 119.536 120.400 -0.400 0.000 2.117 171 D HA -0.178 4.460 4.640 -0.003 0.000 0.197 171 D C 2.316 178.552 176.300 -0.108 0.000 0.987 171 D CA 1.385 55.248 54.000 -0.229 0.000 0.829 171 D CB -0.064 40.638 40.800 -0.163 0.000 0.961 171 D HN 0.487 nan 8.370 nan 0.000 0.460 172 Q N -0.337 119.420 119.800 -0.071 0.000 2.079 172 Q HA -0.080 4.258 4.340 -0.003 0.000 0.200 172 Q C 2.418 178.501 176.000 0.139 0.000 0.974 172 Q CA 1.000 56.838 55.803 0.058 0.000 0.840 172 Q CB 0.048 28.858 28.738 0.120 0.000 0.898 172 Q HN 0.253 nan 8.270 nan 0.000 0.430 173 V N 0.698 120.688 119.914 0.128 0.000 2.427 173 V HA -0.222 3.896 4.120 -0.003 0.000 0.248 173 V C 2.218 178.468 176.094 0.261 0.000 1.051 173 V CA 1.793 64.235 62.300 0.236 0.000 1.048 173 V CB -0.424 31.589 31.823 0.316 0.000 0.666 173 V HN 0.279 nan 8.190 nan 0.000 0.456 174 S N -0.501 115.283 115.700 0.140 0.000 2.368 174 S HA -0.202 4.266 4.470 -0.003 0.000 0.225 174 S C 2.001 176.680 174.600 0.132 0.000 1.030 174 S CA 1.423 59.710 58.200 0.144 0.000 0.999 174 S CB -0.247 62.946 63.200 -0.012 0.000 0.844 174 S HN 0.569 nan 8.310 nan 0.000 0.459 175 K N 0.206 120.672 120.400 0.111 0.000 2.057 175 K HA -0.070 4.248 4.320 -0.003 0.000 0.207 175 K C 1.891 178.591 176.600 0.166 0.000 1.049 175 K CA 1.280 57.634 56.287 0.112 0.000 0.931 175 K CB -0.320 32.235 32.500 0.092 0.000 0.714 175 K HN 0.373 nan 8.250 nan 0.000 0.440 176 F N 1.730 121.744 119.950 0.106 0.000 2.102 176 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 176 F C 2.193 178.125 175.800 0.220 0.000 1.105 176 F CA 1.495 59.590 58.000 0.159 0.000 1.239 176 F CB -0.111 38.958 39.000 0.115 0.000 0.991 176 F HN -0.085 nan 8.300 nan 0.000 0.474 177 M N -0.073 119.637 119.600 0.182 0.000 2.108 177 M HA -0.232 4.246 4.480 -0.003 0.000 0.261 177 M C 2.321 178.703 176.300 0.137 0.000 1.066 177 M CA 1.812 57.174 55.300 0.103 0.000 1.107 177 M CB -0.499 32.115 32.600 0.023 0.000 1.356 177 M HN 0.071 nan 8.290 nan 0.000 0.406 178 R N 0.013 120.579 120.500 0.109 0.000 2.096 178 R HA -0.124 4.214 4.340 -0.003 0.000 0.235 178 R C 2.411 178.728 176.300 0.028 0.000 1.127 178 R CA 1.858 58.011 56.100 0.089 0.000 0.968 178 R CB -0.527 29.814 30.300 0.069 0.000 0.861 178 R HN 0.490 nan 8.270 nan 0.000 0.440 179 S N -0.590 115.093 115.700 -0.028 0.000 2.474 179 S HA -0.132 4.336 4.470 -0.003 0.000 0.235 179 S C 1.162 175.585 174.600 -0.294 0.000 0.997 179 S CA 0.794 58.911 58.200 -0.139 0.000 0.949 179 S CB -0.126 62.987 63.200 -0.144 0.000 0.766 179 S HN 0.347 nan 8.310 nan 0.000 0.517 180 Y N 1.541 121.721 120.300 -0.200 0.000 2.571 180 Y HA 0.448 4.997 4.550 -0.003 0.000 0.275 180 Y C 1.842 177.735 175.900 -0.011 0.000 1.179 180 Y CA -0.332 57.690 58.100 -0.130 0.000 1.242 180 Y CB 0.244 38.587 38.460 -0.195 0.000 1.126 180 Y HN 0.386 nan 8.280 nan 0.000 0.524 181 G N 0.315 109.161 108.800 0.077 0.000 2.284 181 G HA2 -0.379 3.579 3.960 -0.003 0.000 0.261 181 G HA3 -0.379 3.579 3.960 -0.003 0.000 0.261 181 G C 0.390 175.351 174.900 0.102 0.000 0.997 181 G CA -0.063 45.072 45.100 0.058 0.000 0.621 181 G HN 0.382 nan 8.290 nan 0.000 0.534 182 F N 2.575 122.562 119.950 0.061 0.000 2.474 182 F HA 0.145 4.670 4.527 -0.003 0.000 0.375 182 F C 1.634 177.467 175.800 0.055 0.000 1.090 182 F CA 0.832 58.872 58.000 0.066 0.000 1.044 182 F CB -0.189 38.861 39.000 0.083 0.000 1.018 182 F HN 0.354 nan 8.300 nan 0.000 0.560 183 N N 2.682 121.525 118.700 0.239 0.000 2.157 183 N HA -0.387 4.351 4.740 -0.003 0.000 0.198 183 N C 1.196 176.833 175.510 0.211 0.000 0.987 183 N CA 3.057 56.221 53.050 0.189 0.000 0.899 183 N CB -0.082 38.472 38.487 0.111 0.000 1.077 183 N HN 0.863 nan 8.380 nan 0.000 0.586 184 T N -2.727 111.983 114.554 0.260 0.000 7.249 184 T HA -0.198 4.150 4.350 -0.003 0.000 0.292 184 T C 0.633 175.419 174.700 0.144 0.000 2.129 184 T CA 1.242 63.454 62.100 0.186 0.000 3.582 184 T CB -2.027 66.938 68.868 0.161 0.000 1.246 184 T HN 0.736 nan 8.240 nan 0.000 0.778 185 N N 1.174 119.947 118.700 0.120 0.000 2.396 185 N HA 0.050 4.788 4.740 -0.003 0.000 0.180 185 N C 1.160 176.726 175.510 0.093 0.000 1.028 185 N CA 1.095 54.204 53.050 0.099 0.000 0.893 185 N CB -0.129 38.406 38.487 0.080 0.000 0.967 185 N HN 0.364 nan 8.380 nan 0.000 0.440 186 K N -0.060 120.397 120.400 0.095 0.000 2.358 186 K HA 0.230 4.548 4.320 -0.003 0.000 0.197 186 K C -0.595 176.027 176.600 0.036 0.000 1.025 186 K CA -0.158 56.173 56.287 0.074 0.000 1.104 186 K CB 0.821 33.370 32.500 0.080 0.000 0.855 186 K HN 0.014 nan 8.250 nan 0.000 0.531 187 V N 2.708 122.642 119.914 0.034 0.000 2.498 187 V HA 0.224 4.342 4.120 -0.003 0.000 0.279 187 V C 0.184 176.191 176.094 -0.144 0.000 1.048 187 V CA -0.527 61.719 62.300 -0.091 0.000 0.967 187 V CB 1.091 32.857 31.823 -0.094 0.000 0.988 187 V HN 0.154 nan 8.190 nan 0.000 0.473 188 R N 3.411 123.688 120.500 -0.371 0.000 2.740 188 R HA 0.621 4.959 4.340 -0.003 0.000 0.282 188 R C -1.371 174.642 176.300 -0.478 0.000 0.969 188 R CA -0.572 55.253 56.100 -0.458 0.000 0.918 188 R CB 1.964 31.560 30.300 -1.173 0.000 1.175 188 R HN 0.501 nan 8.270 nan 0.000 0.464 189 F N 0.154 120.057 119.950 -0.078 0.000 2.508 189 F HA 0.591 5.115 4.527 -0.004 0.000 0.325 189 F C 0.015 176.008 175.800 0.322 0.000 1.090 189 F CA -0.956 57.106 58.000 0.104 0.000 0.945 189 F CB 2.153 41.217 39.000 0.106 0.000 1.156 189 F HN 0.049 nan 8.300 nan 0.000 0.463 190 V N 4.721 124.881 119.914 0.412 0.000 2.808 190 V HA 0.645 4.763 4.120 -0.003 0.000 0.308 190 V C -2.692 173.375 176.094 -0.045 0.000 1.099 190 V CA -2.370 60.010 62.300 0.133 0.000 0.920 190 V CB 2.829 34.766 31.823 0.189 0.000 1.014 190 V HN 0.520 nan 8.190 nan 0.000 0.425 191 P HA 0.443 nan 4.420 nan 0.000 0.293 191 P C -0.909 176.195 177.300 -0.328 0.000 1.300 191 P CA -0.043 62.789 63.100 -0.448 0.000 0.792 191 P CB 1.562 32.716 31.700 -0.911 0.000 0.925 192 V N 1.543 121.379 119.914 -0.130 0.000 3.167 192 V HA 0.718 4.836 4.120 -0.003 0.000 0.310 192 V C -0.996 175.077 176.094 -0.036 0.000 1.207 192 V CA -1.120 61.115 62.300 -0.108 0.000 1.059 192 V CB 2.265 34.033 31.823 -0.091 0.000 1.079 192 V HN 0.175 nan 8.190 nan 0.000 0.446 193 V N 1.475 121.366 119.914 -0.038 0.000 2.445 193 V HA 0.634 4.752 4.120 -0.003 0.000 0.283 193 V C 1.127 177.201 176.094 -0.033 0.000 1.014 193 V CA 0.395 62.695 62.300 -0.000 0.000 0.852 193 V CB 0.570 32.431 31.823 0.064 0.000 1.021 193 V HN 1.346 nan 8.190 nan 0.000 0.435 194 A N 6.596 129.406 122.820 -0.016 0.000 1.883 194 A HA -0.031 4.287 4.320 -0.003 0.000 0.217 194 A C 0.006 177.562 177.584 -0.046 0.000 1.186 194 A CA 2.195 54.218 52.037 -0.023 0.000 0.624 194 A CB -1.277 17.744 19.000 0.036 0.000 0.822 194 A HN 0.682 nan 8.150 nan 0.000 0.444 195 P HA -0.144 nan 4.420 nan 0.000 0.216 195 P C 1.623 178.837 177.300 -0.144 0.000 1.150 195 P CA 2.112 65.246 63.100 0.056 0.000 0.843 195 P CB -0.158 31.627 31.700 0.143 0.000 0.787 196 S N -2.872 112.782 115.700 -0.077 0.000 2.556 196 S HA 0.332 4.800 4.470 -0.003 0.000 0.216 196 S C 1.657 176.230 174.600 -0.045 0.000 0.970 196 S CA 0.408 58.576 58.200 -0.054 0.000 0.912 196 S CB -0.831 62.388 63.200 0.033 0.000 0.790 196 S HN 0.284 nan 8.310 nan 0.000 0.504 197 G N 1.064 109.764 108.800 -0.167 0.000 2.184 197 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.264 197 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.264 197 G C -0.296 174.267 174.900 -0.562 0.000 0.975 197 G CA 0.128 45.065 45.100 -0.270 0.000 0.642 197 G HN 0.575 nan 8.290 nan 0.000 0.536 198 D N 0.907 121.100 120.400 -0.345 0.000 2.472 198 D HA 0.356 4.994 4.640 -0.003 0.000 0.248 198 D C 1.342 177.443 176.300 -0.332 0.000 1.174 198 D CA 0.728 54.525 54.000 -0.339 0.000 0.883 198 D CB 0.115 40.855 40.800 -0.100 0.000 1.149 198 D HN 0.247 nan 8.370 nan 0.000 0.488 199 N N 1.886 120.369 118.700 -0.362 0.000 2.753 199 N HA -0.224 4.514 4.740 -0.003 0.000 0.251 199 N C 0.484 175.864 175.510 -0.216 0.000 1.097 199 N CA 0.777 53.678 53.050 -0.247 0.000 0.786 199 N CB -1.023 37.306 38.487 -0.263 0.000 1.137 199 N HN 0.511 nan 8.380 nan 0.000 0.566 200 I N -0.742 119.654 120.570 -0.290 0.000 3.341 200 I HA -0.007 4.161 4.170 -0.003 0.000 0.243 200 I C 1.902 177.908 176.117 -0.185 0.000 1.094 200 I CA 1.424 62.601 61.300 -0.205 0.000 1.507 200 I CB -0.079 37.794 38.000 -0.212 0.000 1.441 200 I HN 0.181 nan 8.210 nan 0.000 0.465 201 T N -1.457 112.952 114.554 -0.242 0.000 3.054 201 T HA 0.223 4.571 4.350 -0.003 0.000 0.255 201 T C 0.180 174.857 174.700 -0.040 0.000 1.035 201 T CA -0.194 61.837 62.100 -0.115 0.000 0.941 201 T CB -0.295 68.529 68.868 -0.073 0.000 1.026 201 T HN 0.414 nan 8.240 nan 0.000 0.533 202 H N -0.860 118.165 119.070 -0.075 0.000 3.042 202 H HA 0.539 5.093 4.556 -0.003 0.000 0.346 202 H C -1.446 173.836 175.328 -0.076 0.000 1.294 202 H CA -1.093 54.912 56.048 -0.072 0.000 1.141 202 H CB 1.605 31.322 29.762 -0.076 0.000 1.872 202 H HN 0.042 nan 8.280 nan 0.000 0.541 203 K N 1.451 121.887 120.400 0.059 0.000 2.298 203 K HA 0.180 4.498 4.320 -0.003 0.000 0.280 203 K C 0.129 176.741 176.600 0.020 0.000 1.032 203 K CA -0.265 56.016 56.287 -0.009 0.000 0.958 203 K CB 0.936 33.423 32.500 -0.021 0.000 0.978 203 K HN 0.554 nan 8.250 nan 0.000 0.472 204 S N 2.503 118.154 115.700 -0.082 0.000 2.576 204 S HA 0.059 4.527 4.470 -0.003 0.000 0.276 204 S C 0.375 174.890 174.600 -0.142 0.000 1.339 204 S CA -0.413 57.716 58.200 -0.117 0.000 1.039 204 S CB 0.731 63.790 63.200 -0.236 0.000 0.902 204 S HN 0.715 nan 8.310 nan 0.000 0.516 205 E N 2.475 122.584 120.200 -0.152 0.000 2.481 205 E HA 0.150 4.498 4.350 -0.003 0.000 0.198 205 E C 0.268 176.721 176.600 -0.246 0.000 1.027 205 E CA 0.052 56.356 56.400 -0.160 0.000 0.900 205 E CB 0.052 29.683 29.700 -0.115 0.000 0.993 205 E HN 0.570 nan 8.360 nan 0.000 0.482 206 N N -0.017 118.447 118.700 -0.394 0.000 2.236 206 N HA 0.157 4.895 4.740 -0.003 0.000 0.196 206 N C 0.221 175.374 175.510 -0.594 0.000 1.114 206 N CA 0.216 52.886 53.050 -0.634 0.000 0.859 206 N CB 0.759 38.443 38.487 -1.338 0.000 0.982 206 N HN 0.133 nan 8.380 nan 0.000 0.493 207 M N 0.607 119.888 119.600 -0.532 0.000 2.720 207 M HA 0.244 4.722 4.480 -0.003 0.000 0.250 207 M C 0.072 175.913 176.300 -0.766 0.000 1.280 207 M CA -0.305 54.507 55.300 -0.814 0.000 0.579 207 M CB 1.241 33.248 32.600 -0.988 0.000 1.469 207 M HN -0.342 nan 8.290 nan 0.000 0.416 208 K N 0.696 120.844 120.400 -0.420 0.000 2.280 208 K HA -0.076 4.242 4.320 -0.003 0.000 0.202 208 K C 1.582 178.110 176.600 -0.120 0.000 1.047 208 K CA 1.265 57.427 56.287 -0.209 0.000 0.942 208 K CB -0.208 32.248 32.500 -0.073 0.000 0.739 208 K HN 0.714 nan 8.250 nan 0.000 0.457 209 W N -0.521 120.795 121.300 0.027 0.000 2.699 209 W HA 0.049 4.707 4.660 -0.004 0.000 0.249 209 W C 0.047 176.608 176.519 0.070 0.000 1.280 209 W CA -0.550 56.820 57.345 0.041 0.000 1.345 209 W CB -0.860 28.634 29.460 0.056 0.000 1.128 209 W HN -0.073 nan 8.180 nan 0.000 0.642 210 Y N 3.797 123.869 120.300 -0.381 0.000 2.350 210 Y HA 0.280 4.827 4.550 -0.004 0.000 0.340 210 Y C 0.476 176.285 175.900 -0.153 0.000 1.006 210 Y CA -0.467 57.481 58.100 -0.254 0.000 1.166 210 Y CB 0.375 38.423 38.460 -0.686 0.000 1.168 210 Y HN -0.148 nan 8.280 nan 0.000 0.502 211 N N 4.516 122.832 118.700 -0.640 0.000 2.401 211 N HA 0.203 4.941 4.740 -0.003 0.000 0.264 211 N C -0.035 175.087 175.510 -0.647 0.000 1.238 211 N CA 0.119 52.872 53.050 -0.495 0.000 0.889 211 N CB 1.079 39.435 38.487 -0.217 0.000 1.196 211 N HN 0.876 nan 8.380 nan 0.000 0.511 212 G N 0.674 108.672 108.800 -1.336 0.000 2.887 212 G HA2 0.574 4.532 3.960 -0.003 0.000 0.277 212 G HA3 0.574 4.532 3.960 -0.003 0.000 0.277 212 G C -2.803 171.857 174.900 -0.400 0.000 1.346 212 G CA -1.109 43.559 45.100 -0.719 0.000 1.058 212 G HN -0.111 nan 8.290 nan 0.000 0.535 213 P HA 0.267 nan 4.420 nan 0.000 0.272 213 P C 0.242 177.422 177.300 -0.200 0.000 1.230 213 P CA -0.087 62.773 63.100 -0.401 0.000 0.788 213 P CB 0.765 31.896 31.700 -0.948 0.000 0.949 214 T N 1.131 115.598 114.554 -0.147 0.000 2.813 214 T HA 0.080 4.428 4.350 -0.003 0.000 0.297 214 T C 1.431 176.103 174.700 -0.046 0.000 1.036 214 T CA -0.280 61.784 62.100 -0.060 0.000 1.044 214 T CB 0.017 68.843 68.868 -0.071 0.000 0.993 214 T HN 0.315 nan 8.240 nan 0.000 0.535 215 L N 1.707 122.945 121.223 0.025 0.000 2.046 215 L HA -0.053 4.285 4.340 -0.003 0.000 0.208 215 L C 2.628 179.556 176.870 0.097 0.000 1.077 215 L CA 1.771 56.681 54.840 0.116 0.000 0.747 215 L CB -0.321 41.760 42.059 0.037 0.000 0.896 215 L HN 0.834 nan 8.230 nan 0.000 0.432 216 E N -0.168 120.052 120.200 0.033 0.000 2.110 216 E HA -0.282 4.066 4.350 -0.003 0.000 0.193 216 E C 1.897 178.555 176.600 0.096 0.000 0.988 216 E CA 1.564 58.009 56.400 0.074 0.000 0.804 216 E CB -0.032 29.697 29.700 0.049 0.000 0.745 216 E HN 0.607 nan 8.360 nan 0.000 0.458 217 E N -0.585 119.628 120.200 0.022 0.000 2.110 217 E HA -0.184 4.164 4.350 -0.003 0.000 0.193 217 E C 1.859 178.492 176.600 0.054 0.000 0.988 217 E CA 1.097 57.492 56.400 -0.008 0.000 0.804 217 E CB -0.149 29.480 29.700 -0.119 0.000 0.745 217 E HN 0.470 nan 8.360 nan 0.000 0.458 218 Y N 0.661 121.017 120.300 0.094 0.000 2.242 218 Y HA -0.172 4.376 4.550 -0.003 0.000 0.291 218 Y C 2.220 178.198 175.900 0.129 0.000 1.137 218 Y CA 0.364 58.526 58.100 0.103 0.000 1.181 218 Y CB 0.042 38.553 38.460 0.084 0.000 0.989 218 Y HN 0.017 nan 8.280 nan 0.000 0.527 219 L N -0.352 121.044 121.223 0.289 0.000 2.083 219 L HA -0.251 4.087 4.340 -0.003 0.000 0.209 219 L C 1.516 178.674 176.870 0.480 0.000 1.083 219 L CA 1.127 56.136 54.840 0.282 0.000 0.752 219 L CB -0.380 41.754 42.059 0.125 0.000 0.899 219 L HN 0.220 nan 8.230 nan 0.000 0.433 220 D N -0.581 120.038 120.400 0.365 0.000 2.347 220 D HA -0.117 4.521 4.640 -0.003 0.000 0.215 220 D C 1.989 178.447 176.300 0.263 0.000 0.976 220 D CA 0.715 54.895 54.000 0.300 0.000 0.884 220 D CB 0.142 41.021 40.800 0.131 0.000 0.915 220 D HN 0.429 nan 8.370 nan 0.000 0.526 221 Q N -0.203 119.765 119.800 0.279 0.000 2.425 221 Q HA 0.131 4.469 4.340 -0.003 0.000 0.204 221 Q C 0.484 176.644 176.000 0.267 0.000 0.933 221 Q CA -0.108 55.841 55.803 0.243 0.000 0.939 221 Q CB 0.603 29.500 28.738 0.264 0.000 1.044 221 Q HN 0.255 nan 8.270 nan 0.000 0.513 222 L N 1.819 123.245 121.223 0.338 0.000 2.514 222 L HA -0.024 4.314 4.340 -0.003 0.000 0.280 222 L C 0.247 177.263 176.870 0.243 0.000 1.223 222 L CA 0.573 55.562 54.840 0.249 0.000 0.864 222 L CB 0.318 42.492 42.059 0.191 0.000 1.118 222 L HN 0.082 nan 8.230 nan 0.000 0.494 223 E N 2.743 123.029 120.200 0.144 0.000 2.191 223 E HA 0.412 4.760 4.350 -0.003 0.000 0.278 223 E C -0.799 175.842 176.600 0.069 0.000 0.972 223 E CA -0.702 55.770 56.400 0.120 0.000 0.804 223 E CB 1.803 31.553 29.700 0.084 0.000 1.110 223 E HN 0.381 nan 8.360 nan 0.000 0.394 224 L N 4.305 125.573 121.223 0.074 0.000 2.436 224 L HA 0.273 4.611 4.340 -0.003 0.000 0.265 224 L C -1.596 175.276 176.870 0.003 0.000 1.168 224 L CA -1.593 53.259 54.840 0.020 0.000 0.815 224 L CB 0.128 42.215 42.059 0.047 0.000 1.109 224 L HN 0.423 nan 8.230 nan 0.000 0.462 225 P HA 0.220 nan 4.420 nan 0.000 0.273 225 P C -2.586 174.689 177.300 -0.042 0.000 1.250 225 P CA -1.073 62.005 63.100 -0.037 0.000 0.793 225 P CB -0.530 31.137 31.700 -0.056 0.000 1.011 226 P HA 0.153 nan 4.420 nan 0.000 0.268 226 P C -0.106 177.155 177.300 -0.065 0.000 1.205 226 P CA 0.224 63.287 63.100 -0.061 0.000 0.771 226 P CB 0.340 31.989 31.700 -0.084 0.000 0.858 227 K N 4.134 124.506 120.400 -0.047 0.000 2.218 227 K HA 0.131 4.449 4.320 -0.003 0.000 0.276 227 K C -1.658 174.915 176.600 -0.046 0.000 1.022 227 K CA -1.422 54.841 56.287 -0.041 0.000 0.946 227 K CB 0.216 32.700 32.500 -0.026 0.000 1.000 227 K HN 0.264 nan 8.250 nan 0.000 0.468 228 P HA -0.239 nan 4.420 nan 0.000 0.216 228 P C 1.346 178.639 177.300 -0.012 0.000 1.154 228 P CA 0.797 63.881 63.100 -0.028 0.000 0.865 228 P CB 0.206 31.896 31.700 -0.017 0.000 0.789 229 V N 0.201 120.106 119.914 -0.014 0.000 2.568 229 V HA -0.208 3.910 4.120 -0.003 0.000 0.253 229 V C 1.238 177.331 176.094 -0.002 0.000 1.072 229 V CA 2.150 64.445 62.300 -0.008 0.000 1.084 229 V CB -0.905 30.911 31.823 -0.011 0.000 0.676 229 V HN 0.100 nan 8.190 nan 0.000 0.469 230 D N -0.655 119.738 120.400 -0.011 0.000 2.339 230 D HA 0.082 4.720 4.640 -0.003 0.000 0.217 230 D C 0.800 177.095 176.300 -0.010 0.000 1.050 230 D CA 0.253 54.247 54.000 -0.010 0.000 0.856 230 D CB 0.241 41.030 40.800 -0.018 0.000 0.922 230 D HN 0.518 nan 8.370 nan 0.000 0.518 231 K N 1.161 121.555 120.400 -0.010 0.000 2.109 231 K HA 0.365 4.683 4.320 -0.003 0.000 0.243 231 K C -2.519 174.145 176.600 0.106 0.000 1.006 231 K CA -1.738 54.545 56.287 -0.007 0.000 0.917 231 K CB 0.467 32.916 32.500 -0.085 0.000 1.081 231 K HN -0.223 nan 8.250 nan 0.000 0.468 232 P HA -0.051 nan 4.420 nan 0.000 0.267 232 P C -0.678 176.717 177.300 0.159 0.000 1.200 232 P CA -0.312 62.919 63.100 0.217 0.000 0.772 232 P CB 0.361 32.230 31.700 0.281 0.000 0.855 233 L N 4.203 125.435 121.223 0.015 0.000 2.540 233 L HA 0.107 4.445 4.340 -0.003 0.000 0.276 233 L C 0.029 176.749 176.870 -0.250 0.000 1.212 233 L CA 1.232 55.969 54.840 -0.171 0.000 0.893 233 L CB -0.316 41.437 42.059 -0.511 0.000 1.138 233 L HN 0.269 nan 8.230 nan 0.000 0.491 234 R N 6.711 127.063 120.500 -0.248 0.000 2.533 234 R HA 0.540 4.878 4.340 -0.003 0.000 0.288 234 R C -1.412 174.730 176.300 -0.263 0.000 1.039 234 R CA -0.444 55.462 56.100 -0.322 0.000 0.909 234 R CB 1.451 31.521 30.300 -0.384 0.000 1.195 234 R HN 0.696 nan 8.270 nan 0.000 0.438 235 I N 3.814 124.219 120.570 -0.276 0.000 2.517 235 I HA 0.286 4.454 4.170 -0.003 0.000 0.280 235 I C -2.442 173.582 176.117 -0.156 0.000 1.061 235 I CA -2.056 59.124 61.300 -0.200 0.000 1.091 235 I CB 2.510 40.382 38.000 -0.214 0.000 1.205 235 I HN 0.085 nan 8.210 nan 0.000 0.459 236 P HA 0.171 nan 4.420 nan 0.000 0.271 236 P C -0.509 176.795 177.300 0.006 0.000 1.216 236 P CA -0.172 62.849 63.100 -0.131 0.000 0.771 236 P CB 0.586 32.223 31.700 -0.105 0.000 0.864 237 I N 3.681 124.276 120.570 0.041 0.000 2.395 237 I HA 0.109 4.277 4.170 -0.003 0.000 0.289 237 I C 1.329 177.474 176.117 0.046 0.000 1.023 237 I CA 0.252 61.594 61.300 0.070 0.000 1.350 237 I CB 1.192 39.245 38.000 0.088 0.000 1.409 237 I HN 0.428 nan 8.210 nan 0.000 0.507 238 Q N 3.765 123.584 119.800 0.032 0.000 2.394 238 Q HA 0.184 4.522 4.340 -0.003 0.000 0.218 238 Q C -0.523 175.450 176.000 -0.044 0.000 0.907 238 Q CA 1.227 57.037 55.803 0.012 0.000 0.919 238 Q CB 0.731 29.488 28.738 0.032 0.000 1.051 238 Q HN 0.626 nan 8.270 nan 0.000 0.538 239 D N -1.382 118.962 120.400 -0.094 0.000 2.622 239 D HA 0.372 5.010 4.640 -0.003 0.000 0.255 239 D C -1.724 174.360 176.300 -0.361 0.000 1.246 239 D CA -0.438 53.401 54.000 -0.268 0.000 0.795 239 D CB 2.017 42.609 40.800 -0.347 0.000 1.369 239 D HN -0.081 nan 8.370 nan 0.000 0.425 240 V N 1.434 121.011 119.914 -0.561 0.000 2.733 240 V HA 0.590 4.708 4.120 -0.003 0.000 0.306 240 V C -1.882 173.868 176.094 -0.573 0.000 1.084 240 V CA -0.288 61.752 62.300 -0.432 0.000 0.905 240 V CB 1.445 33.114 31.823 -0.256 0.000 1.010 240 V HN 0.534 nan 8.190 nan 0.000 0.424 241 Y N 3.129 123.373 120.300 -0.093 0.000 2.602 241 Y HA 0.759 5.308 4.550 -0.003 0.000 0.342 241 Y C 0.361 176.215 175.900 -0.077 0.000 1.029 241 Y CA -0.651 57.407 58.100 -0.071 0.000 1.080 241 Y CB 2.442 40.868 38.460 -0.056 0.000 1.284 241 Y HN 0.685 nan 8.280 nan 0.000 0.485 242 S N 2.002 117.775 115.700 0.122 0.000 2.596 242 S HA 0.645 5.113 4.470 -0.003 0.000 0.318 242 S C -1.323 173.301 174.600 0.041 0.000 1.097 242 S CA -0.673 57.550 58.200 0.039 0.000 1.080 242 S CB 0.421 63.626 63.200 0.008 0.000 0.991 242 S HN 0.431 nan 8.310 nan 0.000 0.471 243 I N 2.663 123.245 120.570 0.020 0.000 2.330 243 I HA 0.299 4.467 4.170 -0.003 0.000 0.286 243 I C 0.669 176.787 176.117 0.001 0.000 1.025 243 I CA -0.501 60.802 61.300 0.006 0.000 1.197 243 I CB 0.571 38.569 38.000 -0.004 0.000 1.358 243 I HN 0.686 nan 8.210 nan 0.000 0.467 244 S N 4.547 120.247 115.700 0.000 0.000 2.784 244 S HA 0.176 4.644 4.470 -0.003 0.000 0.322 244 S C 1.401 176.000 174.600 -0.001 0.000 1.234 244 S CA 1.307 59.506 58.200 -0.001 0.000 1.064 244 S CB 0.011 63.211 63.200 -0.001 0.000 0.787 244 S HN 1.103 nan 8.310 nan 0.000 0.506 245 G N 2.462 111.261 108.800 -0.001 0.000 2.234 245 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.260 245 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.260 245 G C 0.750 175.651 174.900 0.002 0.000 0.987 245 G CA 0.406 45.506 45.100 0.000 0.000 0.625 245 G HN 0.627 nan 8.290 nan 0.000 0.532 246 V N -0.077 119.838 119.914 0.001 0.000 2.490 246 V HA 0.635 4.753 4.120 -0.003 0.000 0.238 246 V C 1.851 177.946 176.094 0.002 0.000 1.056 246 V CA 2.554 64.856 62.300 0.004 0.000 1.075 246 V CB 0.175 32.000 31.823 0.002 0.000 0.746 246 V HN 2.102 nan 8.190 nan 0.000 0.479 247 G N -0.407 108.391 108.800 -0.003 0.000 2.280 247 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.277 247 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.277 247 G C -0.390 174.498 174.900 -0.019 0.000 1.288 247 G CA -0.218 44.875 45.100 -0.011 0.000 1.075 247 G HN 0.164 nan 8.290 nan 0.000 0.480 248 T N 0.562 115.092 114.554 -0.040 0.000 2.794 248 T HA 0.504 4.852 4.350 -0.003 0.000 0.296 248 T C 0.041 174.694 174.700 -0.079 0.000 0.949 248 T CA 0.070 62.128 62.100 -0.070 0.000 1.101 248 T CB 1.410 70.204 68.868 -0.122 0.000 0.905 248 T HN 1.105 nan 8.240 nan 0.000 0.516 249 V N 7.376 127.248 119.914 -0.069 0.000 2.327 249 V HA 0.294 4.412 4.120 -0.003 0.000 0.272 249 V C -2.154 173.847 176.094 -0.156 0.000 1.019 249 V CA -1.861 60.382 62.300 -0.095 0.000 0.814 249 V CB 1.037 32.861 31.823 0.002 0.000 1.040 249 V HN 0.702 nan 8.190 nan 0.000 0.440 250 P HA 0.385 nan 4.420 nan 0.000 0.274 250 P C -0.780 176.280 177.300 -0.400 0.000 1.237 250 P CA -0.146 62.702 63.100 -0.420 0.000 0.793 250 P CB 1.963 33.351 31.700 -0.519 0.000 0.977 251 V N 0.575 120.414 119.914 -0.125 0.000 2.709 251 V HA 0.852 4.970 4.120 -0.003 0.000 0.308 251 V C 0.439 176.609 176.094 0.126 0.000 1.062 251 V CA -0.225 62.111 62.300 0.060 0.000 0.901 251 V CB 1.852 33.747 31.823 0.120 0.000 1.003 251 V HN 0.994 nan 8.190 nan 0.000 0.425 252 G N 3.010 111.936 108.800 0.209 0.000 2.506 252 G HA2 0.552 4.510 3.960 -0.003 0.000 0.292 252 G HA3 0.552 4.510 3.960 -0.003 0.000 0.292 252 G C -1.884 173.069 174.900 0.088 0.000 1.425 252 G CA -0.927 44.257 45.100 0.140 0.000 0.788 252 G HN 0.637 nan 8.290 nan 0.000 0.490 253 R N 0.209 120.729 120.500 0.033 0.000 2.346 253 R HA 0.574 4.912 4.340 -0.003 0.000 0.311 253 R C -0.315 175.959 176.300 -0.044 0.000 0.983 253 R CA -0.515 55.582 56.100 -0.005 0.000 0.880 253 R CB 1.468 31.769 30.300 0.002 0.000 1.100 253 R HN 0.307 nan 8.270 nan 0.000 0.453 254 V N 5.211 125.080 119.914 -0.073 0.000 2.485 254 V HA -0.006 4.112 4.120 -0.003 0.000 0.287 254 V C 0.853 176.907 176.094 -0.068 0.000 1.022 254 V CA 0.485 62.721 62.300 -0.105 0.000 1.067 254 V CB 1.257 33.006 31.823 -0.123 0.000 0.967 254 V HN 0.881 nan 8.190 nan 0.000 0.479 255 E N 2.429 122.587 120.200 -0.070 0.000 2.389 255 E HA 0.127 4.474 4.350 -0.003 0.000 0.199 255 E C 0.557 177.156 176.600 -0.002 0.000 0.978 255 E CA 0.490 56.871 56.400 -0.030 0.000 0.912 255 E CB 0.910 30.593 29.700 -0.029 0.000 0.907 255 E HN 0.811 nan 8.360 nan 0.000 0.494 256 S N -1.281 114.413 115.700 -0.010 0.000 2.565 256 S HA 0.640 5.108 4.470 -0.003 0.000 0.269 256 S C 0.277 174.876 174.600 -0.003 0.000 1.153 256 S CA -0.355 57.867 58.200 0.037 0.000 0.835 256 S CB 2.274 65.584 63.200 0.183 0.000 1.122 256 S HN 0.306 nan 8.310 nan 0.000 0.462 257 G N -0.166 108.642 108.800 0.014 0.000 2.741 257 G HA2 0.126 4.084 3.960 -0.003 0.000 0.222 257 G HA3 0.126 4.084 3.960 -0.003 0.000 0.222 257 G C -1.031 173.855 174.900 -0.022 0.000 1.364 257 G CA -0.348 44.755 45.100 0.006 0.000 0.866 257 G HN 1.798 nan 8.290 nan 0.000 0.555 258 V N 0.041 119.957 119.914 0.003 0.000 2.686 258 V HA 0.664 4.782 4.120 -0.003 0.000 0.306 258 V C -0.212 175.887 176.094 0.008 0.000 1.065 258 V CA -0.577 61.719 62.300 -0.007 0.000 0.894 258 V CB 1.614 33.447 31.823 0.017 0.000 1.004 258 V HN 1.119 nan 8.190 nan 0.000 0.424 259 L N 4.515 125.691 121.223 -0.078 0.000 2.317 259 L HA 0.727 5.064 4.340 -0.003 0.000 0.281 259 L C -0.408 176.436 176.870 -0.043 0.000 1.024 259 L CA 0.118 54.897 54.840 -0.102 0.000 0.810 259 L CB 1.346 43.232 42.059 -0.288 0.000 1.240 259 L HN 0.741 nan 8.230 nan 0.000 0.427 260 K N 3.282 123.687 120.400 0.009 0.000 2.426 260 K HA 0.558 4.876 4.320 -0.003 0.000 0.251 260 K C -1.368 175.240 176.600 0.013 0.000 0.941 260 K CA -0.848 55.441 56.287 0.003 0.000 0.808 260 K CB 2.077 34.581 32.500 0.007 0.000 1.265 260 K HN 0.425 nan 8.250 nan 0.000 0.432 261 V N 3.081 123.003 119.914 0.014 0.000 2.617 261 V HA 0.131 4.249 4.120 -0.003 0.000 0.304 261 V C 1.370 177.480 176.094 0.027 0.000 1.040 261 V CA 2.072 64.389 62.300 0.029 0.000 1.149 261 V CB 0.519 32.358 31.823 0.027 0.000 0.914 261 V HN 1.154 nan 8.190 nan 0.000 0.487 262 G N 3.859 112.682 108.800 0.037 0.000 2.232 262 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.226 262 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.226 262 G C -0.044 174.874 174.900 0.031 0.000 0.996 262 G CA -0.003 45.115 45.100 0.030 0.000 0.626 262 G HN 0.673 nan 8.290 nan 0.000 0.509 263 D N 1.749 122.173 120.400 0.040 0.000 2.414 263 D HA 0.433 5.071 4.640 -0.003 0.000 0.242 263 D C 0.708 177.054 176.300 0.077 0.000 1.129 263 D CA 0.310 54.340 54.000 0.052 0.000 0.885 263 D CB 0.687 41.565 40.800 0.129 0.000 1.198 263 D HN 0.095 nan 8.370 nan 0.000 0.437 264 K N 1.790 122.231 120.400 0.069 0.000 2.174 264 K HA 0.492 4.810 4.320 -0.003 0.000 0.275 264 K C 0.274 176.950 176.600 0.127 0.000 1.015 264 K CA -0.426 55.911 56.287 0.084 0.000 0.933 264 K CB 1.004 33.537 32.500 0.054 0.000 1.025 264 K HN 0.496 nan 8.250 nan 0.000 0.463 265 I N -1.848 118.780 120.570 0.097 0.000 3.074 265 I HA 0.525 4.693 4.170 -0.003 0.000 0.310 265 I C -0.764 175.356 176.117 0.004 0.000 1.153 265 I CA -1.373 59.937 61.300 0.016 0.000 0.993 265 I CB 2.105 40.037 38.000 -0.112 0.000 1.237 265 I HN 0.148 nan 8.210 nan 0.000 0.443 266 V N 3.574 123.431 119.914 -0.095 0.000 2.604 266 V HA 0.565 4.683 4.120 -0.003 0.000 0.305 266 V C -1.317 174.671 176.094 -0.176 0.000 1.043 266 V CA -0.402 61.881 62.300 -0.029 0.000 0.888 266 V CB 1.848 33.672 31.823 0.002 0.000 0.995 266 V HN 0.565 nan 8.190 nan 0.000 0.429 267 F N 7.239 127.187 119.950 -0.002 0.000 2.405 267 F HA 0.648 5.173 4.527 -0.004 0.000 0.355 267 F C 0.410 176.195 175.800 -0.024 0.000 1.121 267 F CA -0.449 57.544 58.000 -0.012 0.000 1.112 267 F CB 1.485 40.480 39.000 -0.008 0.000 1.126 267 F HN 0.222 nan 8.300 nan 0.000 0.481 268 M N 4.664 124.310 119.600 0.076 0.000 2.644 268 M HA 0.350 4.828 4.480 -0.003 0.000 0.316 268 M C -1.846 174.485 176.300 0.052 0.000 1.200 268 M CA -2.519 52.806 55.300 0.041 0.000 0.944 268 M CB 1.690 34.277 32.600 -0.022 0.000 1.691 268 M HN 0.139 nan 8.290 nan 0.000 0.471 269 P HA 0.056 nan 4.420 nan 0.000 0.233 269 P C 0.941 178.263 177.300 0.035 0.000 1.167 269 P CA 0.810 63.927 63.100 0.029 0.000 0.770 269 P CB 0.078 31.792 31.700 0.023 0.000 0.837 270 A N 0.164 123.014 122.820 0.049 0.000 2.019 270 A HA 0.173 4.491 4.320 -0.003 0.000 0.219 270 A C 1.843 179.455 177.584 0.046 0.000 1.164 270 A CA 1.362 53.422 52.037 0.039 0.000 0.644 270 A CB -1.668 17.350 19.000 0.030 0.000 0.805 270 A HN 0.268 nan 8.150 nan 0.000 0.449 271 G N -1.165 107.676 108.800 0.068 0.000 2.176 271 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.252 271 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.252 271 G C -0.122 174.826 174.900 0.080 0.000 1.024 271 G CA 0.456 45.593 45.100 0.062 0.000 0.755 271 G HN 0.420 nan 8.290 nan 0.000 0.507 272 K N 0.013 120.486 120.400 0.121 0.000 2.205 272 K HA 0.651 4.969 4.320 -0.003 0.000 0.279 272 K C 0.412 177.133 176.600 0.202 0.000 1.027 272 K CA -0.703 55.654 56.287 0.118 0.000 0.932 272 K CB 1.888 34.418 32.500 0.051 0.000 1.032 272 K HN 0.141 nan 8.250 nan 0.000 0.466 273 V N 1.356 121.353 119.914 0.140 0.000 2.547 273 V HA 0.777 4.895 4.120 -0.003 0.000 0.299 273 V C 0.643 176.832 176.094 0.157 0.000 1.040 273 V CA -0.563 61.828 62.300 0.152 0.000 0.913 273 V CB 1.764 33.641 31.823 0.090 0.000 0.992 273 V HN 0.908 nan 8.190 nan 0.000 0.449 274 G N 2.644 111.565 108.800 0.202 0.000 2.727 274 G HA2 0.662 4.620 3.960 -0.003 0.000 0.289 274 G HA3 0.662 4.620 3.960 -0.003 0.000 0.289 274 G C -1.715 173.281 174.900 0.161 0.000 1.418 274 G CA -0.438 44.770 45.100 0.179 0.000 0.818 274 G HN 0.624 nan 8.290 nan 0.000 0.486 275 E N -0.473 119.808 120.200 0.136 0.000 2.222 275 E HA 0.523 4.871 4.350 -0.003 0.000 0.267 275 E C -0.890 175.791 176.600 0.136 0.000 0.884 275 E CA -0.668 55.801 56.400 0.115 0.000 0.764 275 E CB 2.383 32.129 29.700 0.077 0.000 1.169 275 E HN 0.216 nan 8.360 nan 0.000 0.413 276 V N 5.892 125.887 119.914 0.135 0.000 2.439 276 V HA 0.119 4.237 4.120 -0.003 0.000 0.271 276 V C 1.250 177.409 176.094 0.109 0.000 1.040 276 V CA -0.088 62.306 62.300 0.157 0.000 1.002 276 V CB 0.790 32.687 31.823 0.124 0.000 1.000 276 V HN 0.702 nan 8.190 nan 0.000 0.477 277 R N 2.638 123.203 120.500 0.109 0.000 2.189 277 R HA 0.183 4.521 4.340 -0.003 0.000 0.203 277 R C 0.626 176.967 176.300 0.069 0.000 1.012 277 R CA 0.686 56.830 56.100 0.074 0.000 1.015 277 R CB 0.446 30.783 30.300 0.061 0.000 0.938 277 R HN 0.793 nan 8.270 nan 0.000 0.472 278 S N -0.529 115.226 115.700 0.091 0.000 2.588 278 S HA 0.631 5.099 4.470 -0.003 0.000 0.269 278 S C -0.693 173.975 174.600 0.114 0.000 1.157 278 S CA -0.935 57.312 58.200 0.079 0.000 0.824 278 S CB 1.984 65.220 63.200 0.060 0.000 1.126 278 S HN 0.026 nan 8.310 nan 0.000 0.464 279 I N 1.070 121.690 120.570 0.083 0.000 2.607 279 I HA 0.550 4.718 4.170 -0.003 0.000 0.290 279 I C -1.001 175.147 176.117 0.051 0.000 1.129 279 I CA -0.486 60.868 61.300 0.089 0.000 1.042 279 I CB 2.305 40.327 38.000 0.037 0.000 1.242 279 I HN 0.999 nan 8.210 nan 0.000 0.421 280 E N 3.496 123.722 120.200 0.044 0.000 2.356 280 E HA 0.738 5.086 4.350 -0.003 0.000 0.275 280 E C -1.663 174.916 176.600 -0.036 0.000 0.904 280 E CA -0.788 55.614 56.400 0.002 0.000 0.757 280 E CB 2.487 32.177 29.700 -0.016 0.000 1.232 280 E HN 0.391 nan 8.360 nan 0.000 0.442 281 T N 1.732 116.253 114.554 -0.054 0.000 2.879 281 T HA 0.317 4.665 4.350 -0.003 0.000 0.290 281 T C -0.728 173.933 174.700 -0.065 0.000 0.993 281 T CA -0.758 61.252 62.100 -0.150 0.000 0.975 281 T CB 0.648 69.404 68.868 -0.187 0.000 0.981 281 T HN 0.680 nan 8.240 nan 0.000 0.439 282 H N 3.519 122.568 119.070 -0.035 0.000 2.819 282 H HA -0.152 4.402 4.556 -0.003 0.000 0.315 282 H C 0.477 175.869 175.328 0.107 0.000 1.242 282 H CA 1.006 57.086 56.048 0.054 0.000 1.157 282 H CB -2.083 27.720 29.762 0.069 0.000 1.451 282 H HN 1.038 nan 8.280 nan 0.000 0.430 283 H N -2.281 116.849 119.070 0.099 0.000 2.741 283 H HA -0.152 4.402 4.556 -0.003 0.000 0.305 283 H C -0.213 175.151 175.328 0.059 0.000 1.169 283 H CA 1.355 57.439 56.048 0.059 0.000 1.144 283 H CB -1.492 28.297 29.762 0.046 0.000 1.397 283 H HN 0.394 nan 8.280 nan 0.000 0.409 284 T N 1.901 116.515 114.554 0.100 0.000 2.949 284 T HA 0.209 4.557 4.350 -0.003 0.000 0.300 284 T C 0.344 175.073 174.700 0.049 0.000 0.988 284 T CA -1.037 61.114 62.100 0.085 0.000 0.993 284 T CB 2.240 71.168 68.868 0.099 0.000 0.984 284 T HN 0.050 nan 8.240 nan 0.000 0.442 285 K N 3.455 123.880 120.400 0.042 0.000 2.436 285 K HA 0.424 4.742 4.320 -0.003 0.000 0.275 285 K C -0.129 176.488 176.600 0.029 0.000 0.999 285 K CA 0.195 56.501 56.287 0.032 0.000 0.980 285 K CB 0.591 33.110 32.500 0.031 0.000 0.919 285 K HN 0.613 nan 8.250 nan 0.000 0.484 286 M N 0.796 120.410 119.600 0.024 0.000 2.550 286 M HA 0.107 4.585 4.480 -0.003 0.000 0.292 286 M C 0.533 176.841 176.300 0.014 0.000 1.221 286 M CA -0.633 54.677 55.300 0.017 0.000 0.873 286 M CB 1.893 34.499 32.600 0.009 0.000 1.727 286 M HN 0.484 nan 8.290 nan 0.000 0.459 287 D N 0.803 121.209 120.400 0.010 0.000 2.271 287 D HA 0.123 4.761 4.640 -0.003 0.000 0.206 287 D C -0.257 176.043 176.300 -0.000 0.000 0.967 287 D CA 1.337 55.341 54.000 0.008 0.000 0.867 287 D CB 0.693 41.497 40.800 0.007 0.000 0.960 287 D HN 0.350 nan 8.370 nan 0.000 0.509 288 K N -0.805 119.590 120.400 -0.008 0.000 2.532 288 K HA 0.718 5.036 4.320 -0.003 0.000 0.265 288 K C -1.761 174.819 176.600 -0.033 0.000 0.948 288 K CA -0.985 55.290 56.287 -0.020 0.000 0.842 288 K CB 2.369 34.861 32.500 -0.014 0.000 1.392 288 K HN -0.066 nan 8.250 nan 0.000 0.436 289 A N 2.263 125.047 122.820 -0.059 0.000 2.355 289 A HA 0.587 4.905 4.320 -0.003 0.000 0.317 289 A C -1.087 176.454 177.584 -0.070 0.000 1.094 289 A CA -0.602 51.392 52.037 -0.073 0.000 0.764 289 A CB 1.060 19.989 19.000 -0.119 0.000 1.230 289 A HN 0.720 nan 8.150 nan 0.000 0.448 290 E N 1.360 121.528 120.200 -0.054 0.000 2.355 290 E HA 0.449 4.797 4.350 -0.003 0.000 0.261 290 E C -2.712 173.860 176.600 -0.046 0.000 0.943 290 E CA -2.335 54.038 56.400 -0.044 0.000 0.806 290 E CB 1.230 30.915 29.700 -0.026 0.000 1.286 290 E HN 0.356 nan 8.360 nan 0.000 0.424 291 P HA -0.064 nan 4.420 nan 0.000 0.261 291 P C 0.469 177.754 177.300 -0.025 0.000 1.173 291 P CA 1.363 64.444 63.100 -0.033 0.000 0.760 291 P CB 0.245 31.932 31.700 -0.022 0.000 0.783 292 G N 2.245 111.031 108.800 -0.025 0.000 2.254 292 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.225 292 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.225 292 G C -0.205 174.683 174.900 -0.021 0.000 1.003 292 G CA -0.393 44.698 45.100 -0.015 0.000 0.622 292 G HN 0.508 nan 8.290 nan 0.000 0.507 293 D N 1.234 121.613 120.400 -0.035 0.000 2.343 293 D HA 0.277 4.915 4.640 -0.003 0.000 0.255 293 D C 0.236 176.503 176.300 -0.056 0.000 1.187 293 D CA 0.016 53.987 54.000 -0.049 0.000 0.875 293 D CB 0.558 41.326 40.800 -0.054 0.000 1.136 293 D HN 0.450 nan 8.370 nan 0.000 0.469 294 N N 3.256 121.914 118.700 -0.070 0.000 2.414 294 N HA 0.320 5.058 4.740 -0.003 0.000 0.256 294 N C -0.523 174.949 175.510 -0.063 0.000 1.029 294 N CA -0.420 52.599 53.050 -0.053 0.000 0.948 294 N CB 0.502 38.951 38.487 -0.064 0.000 1.102 294 N HN 0.427 nan 8.380 nan 0.000 0.496 295 I N -0.286 120.291 120.570 0.012 0.000 3.042 295 I HA 0.728 4.896 4.170 -0.003 0.000 0.310 295 I C -0.093 176.138 176.117 0.191 0.000 1.117 295 I CA -1.192 60.143 61.300 0.058 0.000 1.003 295 I CB 2.118 40.149 38.000 0.052 0.000 1.228 295 I HN 0.329 nan 8.210 nan 0.000 0.443 296 G N 2.772 111.669 108.800 0.160 0.000 2.415 296 G HA2 0.736 4.694 3.960 -0.003 0.000 0.327 296 G HA3 0.736 4.694 3.960 -0.003 0.000 0.327 296 G C -1.344 173.721 174.900 0.276 0.000 1.182 296 G CA -0.549 44.638 45.100 0.146 0.000 0.924 296 G HN 0.685 nan 8.290 nan 0.000 0.470 297 F N 0.083 120.051 119.950 0.030 0.000 2.574 297 F HA 0.492 5.017 4.527 -0.004 0.000 0.313 297 F C -0.648 175.185 175.800 0.055 0.000 1.130 297 F CA -1.982 56.036 58.000 0.030 0.000 0.936 297 F CB 1.421 40.433 39.000 0.021 0.000 1.219 297 F HN 0.425 nan 8.300 nan 0.000 0.445 298 N N 2.759 121.542 118.700 0.137 0.000 2.430 298 N HA 0.433 5.171 4.740 -0.003 0.000 0.265 298 N C -1.564 174.016 175.510 0.116 0.000 1.100 298 N CA -0.171 52.917 53.050 0.064 0.000 0.961 298 N CB 1.321 39.839 38.487 0.052 0.000 1.075 298 N HN 0.565 nan 8.380 nan 0.000 0.478 299 V N 4.400 124.362 119.914 0.080 0.000 2.417 299 V HA 0.416 4.534 4.120 -0.003 0.000 0.291 299 V C 0.350 176.485 176.094 0.068 0.000 1.024 299 V CA -0.879 61.504 62.300 0.138 0.000 0.861 299 V CB 1.368 33.328 31.823 0.227 0.000 0.985 299 V HN 0.628 nan 8.190 nan 0.000 0.436 300 R N 2.663 123.209 120.500 0.077 0.000 2.349 300 R HA 0.574 4.912 4.340 -0.003 0.000 0.299 300 R C 1.128 177.453 176.300 0.042 0.000 1.027 300 R CA 0.469 56.595 56.100 0.043 0.000 0.958 300 R CB 1.327 31.652 30.300 0.042 0.000 1.047 300 R HN 1.139 nan 8.270 nan 0.000 0.468 301 G N 0.825 109.632 108.800 0.012 0.000 2.176 301 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.232 301 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.232 301 G C -0.304 174.583 174.900 -0.021 0.000 0.986 301 G CA -0.095 45.010 45.100 0.007 0.000 0.643 301 G HN 0.416 nan 8.290 nan 0.000 0.522 302 V N 1.130 121.003 119.914 -0.068 0.000 2.540 302 V HA 0.481 4.599 4.120 -0.003 0.000 0.302 302 V C 0.100 176.086 176.094 -0.180 0.000 1.035 302 V CA -1.118 61.089 62.300 -0.155 0.000 0.873 302 V CB 1.806 33.431 31.823 -0.330 0.000 0.992 302 V HN 0.370 nan 8.190 nan 0.000 0.428 303 E N 3.020 123.127 120.200 -0.155 0.000 2.290 303 E HA 0.110 4.458 4.350 -0.003 0.000 0.277 303 E C 0.716 177.207 176.600 -0.182 0.000 1.035 303 E CA -0.314 56.005 56.400 -0.134 0.000 0.873 303 E CB 1.169 30.812 29.700 -0.095 0.000 1.029 303 E HN 0.620 nan 8.360 nan 0.000 0.419 304 K N 2.944 123.246 120.400 -0.162 0.000 2.293 304 K HA -0.242 4.076 4.320 -0.003 0.000 0.204 304 K C 0.894 177.403 176.600 -0.152 0.000 1.045 304 K CA 1.437 57.620 56.287 -0.173 0.000 0.933 304 K CB 0.170 32.595 32.500 -0.125 0.000 0.736 304 K HN 0.131 nan 8.250 nan 0.000 0.463 305 K N 0.681 121.009 120.400 -0.120 0.000 2.439 305 K HA -0.031 4.287 4.320 -0.003 0.000 0.197 305 K C 0.588 177.129 176.600 -0.098 0.000 1.041 305 K CA 0.880 57.110 56.287 -0.094 0.000 0.970 305 K CB 0.265 32.723 32.500 -0.070 0.000 0.773 305 K HN 0.200 nan 8.250 nan 0.000 0.479 306 D N -0.196 120.123 120.400 -0.136 0.000 2.368 306 D HA 0.167 4.805 4.640 -0.003 0.000 0.218 306 D C -0.339 175.861 176.300 -0.166 0.000 1.112 306 D CA 0.176 54.099 54.000 -0.128 0.000 0.834 306 D CB 0.531 41.252 40.800 -0.131 0.000 0.953 306 D HN 0.129 nan 8.370 nan 0.000 0.505 307 I N 0.902 121.357 120.570 -0.192 0.000 2.447 307 I HA 0.291 4.459 4.170 -0.003 0.000 0.287 307 I C -0.067 175.988 176.117 -0.105 0.000 1.023 307 I CA -0.621 60.574 61.300 -0.174 0.000 1.083 307 I CB 1.821 39.632 38.000 -0.316 0.000 1.245 307 I HN -0.473 nan 8.210 nan 0.000 0.434 308 K N 4.375 124.748 120.400 -0.044 0.000 2.509 308 K HA 0.459 4.777 4.320 -0.003 0.000 0.266 308 K C -0.772 175.813 176.600 -0.025 0.000 0.987 308 K CA -1.099 55.158 56.287 -0.051 0.000 0.868 308 K CB 2.716 35.191 32.500 -0.042 0.000 1.421 308 K HN 0.550 nan 8.250 nan 0.000 0.444 309 R N -0.032 120.440 120.500 -0.046 0.000 2.538 309 R HA 0.077 4.415 4.340 -0.003 0.000 0.282 309 R C 0.765 177.065 176.300 -0.001 0.000 1.009 309 R CA 2.120 58.204 56.100 -0.027 0.000 1.063 309 R CB -0.220 30.053 30.300 -0.046 0.000 0.945 309 R HN 0.884 nan 8.270 nan 0.000 0.414 310 G N 2.833 111.659 108.800 0.043 0.000 2.254 310 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.225 310 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.225 310 G C -0.249 174.734 174.900 0.137 0.000 1.003 310 G CA 0.153 45.303 45.100 0.083 0.000 0.622 310 G HN 0.664 nan 8.290 nan 0.000 0.507 311 D N 0.085 120.533 120.400 0.080 0.000 2.371 311 D HA 0.544 5.182 4.640 -0.003 0.000 0.242 311 D C 0.425 176.740 176.300 0.025 0.000 1.218 311 D CA 0.294 54.338 54.000 0.074 0.000 0.945 311 D CB 1.642 42.509 40.800 0.112 0.000 1.137 311 D HN 0.343 nan 8.370 nan 0.000 0.464 312 V N 0.899 120.788 119.914 -0.041 0.000 2.709 312 V HA 0.295 4.413 4.120 -0.003 0.000 0.308 312 V C -0.051 175.917 176.094 -0.210 0.000 1.062 312 V CA -0.888 61.311 62.300 -0.168 0.000 0.901 312 V CB 2.197 33.840 31.823 -0.300 0.000 1.003 312 V HN 0.218 nan 8.190 nan 0.000 0.425 313 V N 3.183 122.926 119.914 -0.284 0.000 2.539 313 V HA 0.948 5.066 4.120 -0.003 0.000 0.292 313 V C 0.696 176.558 176.094 -0.388 0.000 1.045 313 V CA 0.476 62.517 62.300 -0.431 0.000 0.945 313 V CB 1.606 33.134 31.823 -0.491 0.000 0.993 313 V HN 1.095 nan 8.190 nan 0.000 0.464 314 G N 2.013 110.590 108.800 -0.373 0.000 2.721 314 G HA2 0.547 4.505 3.960 -0.003 0.000 0.296 314 G HA3 0.547 4.505 3.960 -0.003 0.000 0.296 314 G C -1.569 173.156 174.900 -0.293 0.000 1.383 314 G CA -0.758 44.134 45.100 -0.347 0.000 0.788 314 G HN 0.684 nan 8.290 nan 0.000 0.500 315 H N 0.213 119.208 119.070 -0.126 0.000 2.511 315 H HA 0.274 4.828 4.556 -0.004 0.000 0.346 315 H C -1.383 173.906 175.328 -0.064 0.000 1.128 315 H CA -1.542 54.454 56.048 -0.087 0.000 1.342 315 H CB 2.256 31.979 29.762 -0.064 0.000 1.470 315 H HN 0.164 nan 8.280 nan 0.000 0.546 316 P HA -0.176 nan 4.420 nan 0.000 0.217 316 P C 0.505 177.824 177.300 0.032 0.000 1.148 316 P CA 1.443 64.568 63.100 0.041 0.000 0.828 316 P CB 0.211 31.933 31.700 0.037 0.000 0.783 317 N N -1.471 117.252 118.700 0.039 0.000 2.396 317 N HA -0.029 4.709 4.740 -0.003 0.000 0.180 317 N C 0.149 175.679 175.510 0.033 0.000 1.028 317 N CA 0.444 53.510 53.050 0.027 0.000 0.893 317 N CB -0.069 38.428 38.487 0.016 0.000 0.967 317 N HN 0.091 nan 8.380 nan 0.000 0.440 318 N N 0.805 119.530 118.700 0.041 0.000 2.733 318 N HA 0.247 4.985 4.740 -0.003 0.000 0.271 318 N C -2.854 172.644 175.510 -0.019 0.000 1.720 318 N CA -0.880 52.189 53.050 0.031 0.000 0.803 318 N CB 1.703 40.230 38.487 0.067 0.000 1.208 318 N HN 0.036 nan 8.380 nan 0.000 0.498 319 P HA 0.244 nan 4.420 nan 0.000 0.271 319 P C -2.483 174.749 177.300 -0.113 0.000 1.218 319 P CA -0.930 62.130 63.100 -0.067 0.000 0.780 319 P CB 0.033 31.712 31.700 -0.035 0.000 0.901 320 P HA 0.027 nan 4.420 nan 0.000 0.266 320 P C -0.222 176.993 177.300 -0.142 0.000 1.195 320 P CA 0.491 63.451 63.100 -0.234 0.000 0.768 320 P CB 0.026 31.578 31.700 -0.247 0.000 0.838 321 T N 2.062 116.534 114.554 -0.136 0.000 2.926 321 T HA 0.231 4.579 4.350 -0.003 0.000 0.307 321 T C 0.129 174.804 174.700 -0.041 0.000 1.059 321 T CA -0.040 62.026 62.100 -0.057 0.000 1.122 321 T CB 0.228 69.079 68.868 -0.028 0.000 0.972 321 T HN 0.041 nan 8.240 nan 0.000 0.545 322 V N 2.091 122.001 119.914 -0.006 0.000 2.487 322 V HA 0.646 4.764 4.120 -0.003 0.000 0.298 322 V C 0.127 176.246 176.094 0.041 0.000 1.028 322 V CA -1.160 61.148 62.300 0.012 0.000 0.860 322 V CB 1.539 33.370 31.823 0.014 0.000 0.991 322 V HN 1.079 nan 8.190 nan 0.000 0.427 323 A N 2.419 125.280 122.820 0.068 0.000 2.276 323 A HA 0.481 4.799 4.320 -0.003 0.000 0.300 323 A C 0.800 178.457 177.584 0.123 0.000 1.235 323 A CA -0.263 51.850 52.037 0.128 0.000 0.867 323 A CB 0.600 19.743 19.000 0.238 0.000 1.137 323 A HN 0.864 nan 8.150 nan 0.000 0.527 324 D N 1.476 121.935 120.400 0.098 0.000 2.162 324 D HA -0.019 4.619 4.640 -0.003 0.000 0.205 324 D C 0.552 176.895 176.300 0.070 0.000 0.964 324 D CA 1.378 55.418 54.000 0.066 0.000 0.847 324 D CB 0.401 41.230 40.800 0.048 0.000 0.988 324 D HN 0.757 nan 8.370 nan 0.000 0.480 325 E N -1.368 118.894 120.200 0.103 0.000 2.392 325 E HA 0.386 4.734 4.350 -0.003 0.000 0.279 325 E C -1.525 175.196 176.600 0.203 0.000 0.964 325 E CA -0.803 55.639 56.400 0.070 0.000 0.777 325 E CB 1.334 31.046 29.700 0.020 0.000 1.249 325 E HN -0.010 nan 8.360 nan 0.000 0.449 326 F N -0.904 119.100 119.950 0.090 0.000 2.645 326 F HA 0.675 5.201 4.527 -0.002 0.000 0.310 326 F C -1.196 174.704 175.800 0.166 0.000 1.102 326 F CA -0.788 57.276 58.000 0.106 0.000 0.952 326 F CB 1.805 40.853 39.000 0.079 0.000 1.326 326 F HN 0.155 nan 8.300 nan 0.000 0.456 327 T N 1.862 116.668 114.554 0.419 0.000 2.823 327 T HA 0.845 5.193 4.350 -0.003 0.000 0.279 327 T C -0.605 174.376 174.700 0.469 0.000 0.998 327 T CA -0.390 61.902 62.100 0.320 0.000 0.994 327 T CB 1.412 70.397 68.868 0.196 0.000 0.960 327 T HN 1.013 nan 8.240 nan 0.000 0.448 328 A N 2.934 126.041 122.820 0.477 0.000 2.515 328 A HA 0.806 5.124 4.320 -0.003 0.000 0.296 328 A C -0.764 177.015 177.584 0.325 0.000 1.094 328 A CA -1.012 51.326 52.037 0.503 0.000 0.718 328 A CB 1.413 20.951 19.000 0.895 0.000 1.307 328 A HN 0.747 nan 8.150 nan 0.000 0.408 329 R N 0.698 121.320 120.500 0.204 0.000 2.255 329 R HA 0.590 4.928 4.340 -0.003 0.000 0.326 329 R C -0.623 175.719 176.300 0.071 0.000 0.986 329 R CA -0.210 55.956 56.100 0.110 0.000 0.847 329 R CB 1.068 31.393 30.300 0.042 0.000 1.111 329 R HN 0.747 nan 8.270 nan 0.000 0.452 330 I N -0.319 120.309 120.570 0.097 0.000 2.892 330 I HA 0.615 4.783 4.170 -0.003 0.000 0.306 330 I C -0.916 175.223 176.117 0.037 0.000 1.078 330 I CA -1.466 59.871 61.300 0.062 0.000 1.032 330 I CB 1.991 40.122 38.000 0.218 0.000 1.229 330 I HN 0.403 nan 8.210 nan 0.000 0.435 331 I N 4.167 124.743 120.570 0.010 0.000 2.433 331 I HA 0.474 4.642 4.170 -0.003 0.000 0.292 331 I C -0.936 175.219 176.117 0.063 0.000 1.001 331 I CA -0.686 60.626 61.300 0.021 0.000 1.119 331 I CB 1.830 39.825 38.000 -0.010 0.000 1.289 331 I HN 0.429 nan 8.210 nan 0.000 0.438 332 V N 8.545 128.503 119.914 0.075 0.000 2.339 332 V HA 0.112 4.230 4.120 -0.003 0.000 0.261 332 V C 1.145 177.298 176.094 0.100 0.000 1.058 332 V CA 0.174 62.536 62.300 0.104 0.000 0.897 332 V CB 0.712 32.578 31.823 0.072 0.000 1.052 332 V HN 0.754 nan 8.190 nan 0.000 0.480 333 V N 1.809 121.803 119.914 0.133 0.000 2.788 333 V HA 0.198 4.316 4.120 -0.003 0.000 0.251 333 V C 0.280 176.516 176.094 0.237 0.000 1.068 333 V CA 0.524 62.911 62.300 0.146 0.000 1.090 333 V CB -0.264 31.636 31.823 0.129 0.000 0.710 333 V HN 0.745 nan 8.190 nan 0.000 0.467 334 W N 0.598 121.939 121.300 0.069 0.000 3.544 334 W HA 0.677 5.335 4.660 -0.003 0.000 0.326 334 W C -1.522 175.059 176.519 0.104 0.000 1.137 334 W CA -0.522 56.860 57.345 0.062 0.000 1.252 334 W CB 0.898 30.374 29.460 0.027 0.000 1.302 334 W HN 0.191 nan 8.180 nan 0.000 0.467 335 H N 7.599 126.135 119.070 -0.890 0.000 3.137 335 H HA 0.235 4.789 4.556 -0.003 0.000 0.336 335 H C -2.012 172.803 175.328 -0.855 0.000 1.055 335 H CA -1.142 54.347 56.048 -0.932 0.000 1.349 335 H CB 2.961 32.451 29.762 -0.453 0.000 1.939 335 H HN 0.331 nan 8.280 nan 0.000 0.487 336 P HA -0.073 nan 4.420 nan 0.000 0.225 336 P C 0.753 177.972 177.300 -0.134 0.000 1.156 336 P CA 1.285 64.153 63.100 -0.387 0.000 0.787 336 P CB 1.029 32.526 31.700 -0.338 0.000 0.802 337 T N -3.171 111.418 114.554 0.059 0.000 2.977 337 T HA 0.665 5.013 4.350 -0.003 0.000 0.152 337 T C 0.054 174.631 174.700 -0.204 0.000 0.867 337 T CA 0.339 62.402 62.100 -0.061 0.000 0.917 337 T CB 0.156 68.984 68.868 -0.067 0.000 2.051 337 T HN 0.143 nan 8.240 nan 0.000 0.350 338 A N 0.442 123.033 122.820 -0.382 0.000 2.594 338 A HA 0.751 5.069 4.320 -0.003 0.000 0.295 338 A C -1.667 175.489 177.584 -0.714 0.000 1.071 338 A CA -0.868 50.822 52.037 -0.579 0.000 0.685 338 A CB 1.329 20.047 19.000 -0.470 0.000 1.285 338 A HN 1.060 nan 8.150 nan 0.000 0.405 339 L N 1.340 122.180 121.223 -0.638 0.000 2.334 339 L HA 0.949 5.287 4.340 -0.003 0.000 0.276 339 L C -0.204 176.640 176.870 -0.043 0.000 1.014 339 L CA -0.521 54.035 54.840 -0.473 0.000 0.815 339 L CB 1.674 43.376 42.059 -0.595 0.000 1.268 339 L HN 1.170 nan 8.230 nan 0.000 0.428 340 A N 3.665 126.513 122.820 0.047 0.000 2.437 340 A HA 0.416 4.734 4.320 -0.003 0.000 0.292 340 A C -0.685 176.910 177.584 0.018 0.000 1.173 340 A CA -0.949 51.118 52.037 0.051 0.000 0.785 340 A CB 0.990 20.061 19.000 0.118 0.000 1.351 340 A HN 0.898 nan 8.150 nan 0.000 0.431 341 N N -0.718 117.941 118.700 -0.069 0.000 2.294 341 N HA 0.258 4.996 4.740 -0.003 0.000 0.248 341 N C 1.191 176.699 175.510 -0.003 0.000 1.242 341 N CA 1.648 54.659 53.050 -0.067 0.000 0.848 341 N CB 0.261 38.686 38.487 -0.104 0.000 1.084 341 N HN 1.325 nan 8.380 nan 0.000 0.457 342 G N 1.360 110.161 108.800 0.001 0.000 2.234 342 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.235 342 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.235 342 G C -0.056 174.906 174.900 0.105 0.000 0.997 342 G CA -0.012 45.109 45.100 0.034 0.000 0.623 342 G HN 0.681 nan 8.290 nan 0.000 0.514 343 Y N 2.563 122.868 120.300 0.009 0.000 2.712 343 Y HA 0.444 4.991 4.550 -0.005 0.000 0.333 343 Y C 0.359 176.302 175.900 0.072 0.000 1.225 343 Y CA 1.163 59.299 58.100 0.059 0.000 1.499 343 Y CB 0.810 39.319 38.460 0.082 0.000 1.288 343 Y HN 0.053 nan 8.280 nan 0.000 0.575 344 T N 9.036 123.348 114.554 -0.405 0.000 3.317 344 T HA 0.255 4.603 4.350 -0.003 0.000 0.361 344 T C -2.574 171.874 174.700 -0.421 0.000 1.499 344 T CA -0.948 60.969 62.100 -0.304 0.000 1.529 344 T CB 0.424 69.229 68.868 -0.104 0.000 0.997 344 T HN 0.489 nan 8.240 nan 0.000 0.624 345 P HA 0.466 nan 4.420 nan 0.000 0.282 345 P C -0.486 176.762 177.300 -0.087 0.000 1.287 345 P CA -0.482 62.431 63.100 -0.312 0.000 0.792 345 P CB 1.060 32.622 31.700 -0.230 0.000 1.163 346 V N 0.900 120.824 119.914 0.017 0.000 2.465 346 V HA 0.157 4.275 4.120 -0.003 0.000 0.279 346 V C 0.448 176.618 176.094 0.126 0.000 1.045 346 V CA -0.376 61.956 62.300 0.054 0.000 0.938 346 V CB 0.720 32.612 31.823 0.116 0.000 0.986 346 V HN 0.317 nan 8.190 nan 0.000 0.467 347 L N 5.197 126.442 121.223 0.036 0.000 2.309 347 L HA 0.478 4.816 4.340 -0.003 0.000 0.282 347 L C 0.093 177.005 176.870 0.070 0.000 1.036 347 L CA 0.035 54.908 54.840 0.054 0.000 0.806 347 L CB 1.044 42.980 42.059 -0.205 0.000 1.220 347 L HN 0.577 nan 8.230 nan 0.000 0.429 348 H N 2.932 122.002 119.070 -0.000 0.000 2.504 348 H HA 0.605 5.158 4.556 -0.004 0.000 0.322 348 H C -1.051 174.256 175.328 -0.035 0.000 1.055 348 H CA -0.541 55.486 56.048 -0.034 0.000 1.231 348 H CB 2.334 32.094 29.762 -0.002 0.000 1.417 348 H HN 0.342 nan 8.280 nan 0.000 0.472 349 V N 6.236 126.079 119.914 -0.117 0.000 2.733 349 V HA 0.166 4.284 4.120 -0.003 0.000 0.306 349 V C 0.445 176.246 176.094 -0.487 0.000 1.084 349 V CA -0.261 61.933 62.300 -0.176 0.000 0.905 349 V CB 1.105 32.805 31.823 -0.205 0.000 1.010 349 V HN 1.221 nan 8.190 nan 0.000 0.424 350 H N 3.600 122.692 119.070 0.037 0.000 1.452 350 H HA -0.311 4.242 4.556 -0.004 0.000 0.090 350 H C 0.964 176.298 175.328 0.010 0.000 0.988 350 H CA 2.068 58.126 56.048 0.016 0.000 1.901 350 H CB -1.808 27.947 29.762 -0.012 0.000 2.257 350 H HN 1.024 nan 8.280 nan 0.000 0.961 351 T N -0.393 114.296 114.554 0.224 0.000 3.107 351 T HA 0.671 5.019 4.350 -0.003 0.000 0.249 351 T C 0.949 175.618 174.700 -0.052 0.000 1.096 351 T CA 0.341 62.493 62.100 0.086 0.000 1.012 351 T CB -0.094 68.856 68.868 0.135 0.000 0.977 351 T HN 0.833 nan 8.240 nan 0.000 0.527 352 A N 1.013 123.690 122.820 -0.239 0.000 2.302 352 A HA 0.698 5.016 4.320 -0.003 0.000 0.285 352 A C 0.216 177.610 177.584 -0.317 0.000 1.105 352 A CA -0.667 51.220 52.037 -0.250 0.000 0.816 352 A CB 0.838 19.667 19.000 -0.286 0.000 1.067 352 A HN 0.354 nan 8.150 nan 0.000 0.489 353 S N 1.125 116.643 115.700 -0.303 0.000 2.721 353 S HA 0.556 5.024 4.470 -0.003 0.000 0.264 353 S C -1.356 173.097 174.600 -0.245 0.000 1.161 353 S CA -0.406 57.522 58.200 -0.452 0.000 1.113 353 S CB 0.204 63.055 63.200 -0.581 0.000 1.079 353 S HN 0.861 nan 8.310 nan 0.000 0.479 354 V N 3.470 123.271 119.914 -0.187 0.000 2.760 354 V HA 0.782 4.900 4.120 -0.003 0.000 0.309 354 V C 0.368 176.416 176.094 -0.077 0.000 1.077 354 V CA -0.872 61.364 62.300 -0.107 0.000 0.910 354 V CB 1.799 33.572 31.823 -0.083 0.000 1.008 354 V HN 1.002 nan 8.190 nan 0.000 0.424 355 A N 2.892 125.680 122.820 -0.053 0.000 2.440 355 A HA 0.534 4.852 4.320 -0.003 0.000 0.251 355 A C -0.138 177.425 177.584 -0.036 0.000 1.089 355 A CA 0.037 52.048 52.037 -0.043 0.000 0.779 355 A CB -0.034 18.944 19.000 -0.036 0.000 1.022 355 A HN 0.915 nan 8.150 nan 0.000 0.492 356 C N 2.152 121.435 119.300 -0.028 0.000 2.431 356 C HA 0.599 5.057 4.460 -0.003 0.000 0.321 356 C C 0.427 175.458 174.990 0.069 0.000 1.202 356 C CA -0.668 58.359 59.018 0.015 0.000 1.398 356 C CB 1.086 28.816 27.740 -0.016 0.000 2.047 356 C HN 1.022 nan 8.230 nan 0.000 0.465 357 R N 2.292 122.807 120.500 0.025 0.000 2.308 357 R HA 0.504 4.842 4.340 -0.003 0.000 0.305 357 R C -0.657 175.600 176.300 -0.072 0.000 1.053 357 R CA -0.235 55.855 56.100 -0.016 0.000 0.957 357 R CB 0.637 30.916 30.300 -0.035 0.000 1.022 357 R HN 0.633 nan 8.270 nan 0.000 0.461 358 V N 4.955 124.785 119.914 -0.140 0.000 2.450 358 V HA -0.057 4.061 4.120 -0.003 0.000 0.281 358 V C 1.170 177.112 176.094 -0.253 0.000 1.019 358 V CA 0.856 62.923 62.300 -0.389 0.000 1.062 358 V CB 1.036 32.726 31.823 -0.221 0.000 0.979 358 V HN 1.043 nan 8.190 nan 0.000 0.477 359 S N 2.804 118.327 115.700 -0.296 0.000 2.505 359 S HA 0.266 4.734 4.470 -0.003 0.000 0.216 359 S C 0.348 174.850 174.600 -0.163 0.000 1.018 359 S CA -0.145 57.946 58.200 -0.181 0.000 0.911 359 S CB 0.376 63.486 63.200 -0.151 0.000 0.818 359 S HN 0.800 nan 8.310 nan 0.000 0.497 360 E N 0.252 120.329 120.200 -0.205 0.000 2.388 360 E HA 0.345 4.693 4.350 -0.003 0.000 0.289 360 E C -1.934 174.565 176.600 -0.168 0.000 0.944 360 E CA -0.560 55.747 56.400 -0.155 0.000 0.792 360 E CB 1.267 30.899 29.700 -0.113 0.000 1.239 360 E HN 0.253 nan 8.360 nan 0.000 0.412 361 L N 5.457 126.598 121.223 -0.137 0.000 2.288 361 L HA 0.254 4.592 4.340 -0.003 0.000 0.283 361 L C 1.097 177.920 176.870 -0.079 0.000 1.072 361 L CA -0.415 54.357 54.840 -0.113 0.000 0.862 361 L CB 1.011 43.001 42.059 -0.116 0.000 1.245 361 L HN 0.569 nan 8.230 nan 0.000 0.432 362 V N 1.435 121.316 119.914 -0.055 0.000 2.307 362 V HA -0.105 4.013 4.120 -0.003 0.000 0.245 362 V C 0.965 177.050 176.094 -0.015 0.000 1.045 362 V CA 1.519 63.801 62.300 -0.029 0.000 1.024 362 V CB -0.137 31.683 31.823 -0.006 0.000 0.651 362 V HN 0.909 nan 8.190 nan 0.000 0.449 363 S N -1.820 113.877 115.700 -0.005 0.000 2.565 363 S HA 0.437 4.904 4.470 -0.003 0.000 0.274 363 S C -1.272 173.335 174.600 0.013 0.000 1.144 363 S CA -1.111 57.092 58.200 0.004 0.000 0.849 363 S CB 1.842 65.053 63.200 0.019 0.000 1.103 363 S HN 0.215 nan 8.310 nan 0.000 0.455 364 K N 0.591 120.999 120.400 0.013 0.000 2.118 364 K HA 0.608 4.926 4.320 -0.003 0.000 0.264 364 K C -1.062 175.558 176.600 0.032 0.000 1.000 364 K CA -0.798 55.502 56.287 0.021 0.000 0.929 364 K CB 0.560 33.071 32.500 0.018 0.000 1.021 364 K HN 0.376 nan 8.250 nan 0.000 0.463 365 L N 1.095 122.342 121.223 0.040 0.000 2.322 365 L HA 0.225 4.563 4.340 -0.003 0.000 0.269 365 L C -0.011 176.892 176.870 0.054 0.000 1.012 365 L CA -0.507 54.364 54.840 0.052 0.000 0.815 365 L CB 1.090 43.184 42.059 0.059 0.000 1.295 365 L HN 0.583 nan 8.230 nan 0.000 0.438 366 D N 3.374 123.813 120.400 0.064 0.000 2.343 366 D HA 0.114 4.752 4.640 -0.003 0.000 0.255 366 D C -1.691 174.662 176.300 0.089 0.000 1.187 366 D CA -1.550 52.489 54.000 0.064 0.000 0.875 366 D CB 1.708 42.546 40.800 0.063 0.000 1.136 366 D HN 0.267 nan 8.370 nan 0.000 0.469 367 P HA -0.107 nan 4.420 nan 0.000 0.220 367 P C 0.927 178.320 177.300 0.154 0.000 1.148 367 P CA 0.860 64.015 63.100 0.093 0.000 0.803 367 P CB 0.460 32.198 31.700 0.064 0.000 0.782 368 R N -0.517 120.067 120.500 0.140 0.000 2.210 368 R HA 0.054 4.392 4.340 -0.003 0.000 0.203 368 R C 2.175 178.590 176.300 0.190 0.000 1.010 368 R CA 1.698 57.897 56.100 0.165 0.000 1.008 368 R CB -0.290 30.043 30.300 0.055 0.000 0.923 368 R HN 0.329 nan 8.270 nan 0.000 0.469 369 T N -5.400 109.266 114.554 0.187 0.000 2.964 369 T HA 0.252 4.600 4.350 -0.003 0.000 0.250 369 T C 1.417 176.282 174.700 0.275 0.000 0.982 369 T CA 0.564 62.754 62.100 0.150 0.000 0.959 369 T CB 1.176 70.093 68.868 0.082 0.000 1.141 369 T HN 0.253 nan 8.240 nan 0.000 0.494 370 G N 1.947 110.891 108.800 0.240 0.000 2.194 370 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.236 370 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.236 370 G C 0.042 175.024 174.900 0.136 0.000 0.987 370 G CA 0.216 45.432 45.100 0.194 0.000 0.635 370 G HN 1.055 nan 8.290 nan 0.000 0.520 371 Q N 0.774 120.647 119.800 0.121 0.000 2.312 371 Q HA 0.589 4.927 4.340 -0.003 0.000 0.236 371 Q C 0.283 176.328 176.000 0.076 0.000 0.965 371 Q CA -0.288 55.573 55.803 0.096 0.000 0.894 371 Q CB 1.123 29.912 28.738 0.085 0.000 1.225 371 Q HN 0.467 nan 8.270 nan 0.000 0.478 372 E N 0.029 120.270 120.200 0.067 0.000 2.413 372 E HA 0.089 4.437 4.350 -0.003 0.000 0.263 372 E C -0.630 175.996 176.600 0.043 0.000 1.015 372 E CA 0.657 57.088 56.400 0.053 0.000 0.916 372 E CB 0.695 30.425 29.700 0.050 0.000 0.947 372 E HN 0.728 nan 8.360 nan 0.000 0.440 373 A N 4.378 127.219 122.820 0.035 0.000 2.048 373 A HA 0.132 4.450 4.320 -0.003 0.000 0.197 373 A C 0.408 178.003 177.584 0.019 0.000 1.486 373 A CA 0.062 52.115 52.037 0.027 0.000 1.029 373 A CB 0.498 19.515 19.000 0.028 0.000 1.101 373 A HN 0.682 nan 8.150 nan 0.000 0.470 374 E N 0.797 121.007 120.200 0.016 0.000 2.307 374 E HA 0.379 4.727 4.350 -0.003 0.000 0.280 374 E C -1.586 175.016 176.600 0.004 0.000 0.900 374 E CA -0.532 55.873 56.400 0.008 0.000 0.790 374 E CB 1.028 30.731 29.700 0.005 0.000 1.261 374 E HN 0.269 nan 8.360 nan 0.000 0.405 375 K N 3.058 123.459 120.400 0.000 0.000 2.218 375 K HA 0.306 4.624 4.320 -0.003 0.000 0.276 375 K C -0.217 176.370 176.600 -0.022 0.000 1.022 375 K CA -0.542 55.742 56.287 -0.005 0.000 0.946 375 K CB 0.476 32.976 32.500 -0.001 0.000 1.000 375 K HN 0.496 nan 8.250 nan 0.000 0.468 376 N N 1.452 120.133 118.700 -0.032 0.000 2.688 376 N HA -0.120 4.618 4.740 -0.003 0.000 0.258 376 N C -2.445 173.020 175.510 -0.075 0.000 1.016 376 N CA 0.354 53.370 53.050 -0.056 0.000 0.747 376 N CB -1.300 37.154 38.487 -0.055 0.000 0.895 376 N HN 0.542 nan 8.380 nan 0.000 0.543 377 P HA 0.025 nan 4.420 nan 0.000 0.272 377 P C 0.647 177.845 177.300 -0.169 0.000 1.223 377 P CA -0.023 63.030 63.100 -0.079 0.000 0.784 377 P CB 0.830 32.507 31.700 -0.039 0.000 0.923 378 Q N 0.489 120.144 119.800 -0.243 0.000 2.172 378 Q HA 0.035 4.373 4.340 -0.003 0.000 0.200 378 Q C -0.019 175.397 176.000 -0.974 0.000 0.964 378 Q CA 1.316 56.746 55.803 -0.621 0.000 0.855 378 Q CB -0.117 28.183 28.738 -0.730 0.000 0.918 378 Q HN 0.500 nan 8.270 nan 0.000 0.444 379 F N -1.031 118.873 119.950 -0.076 0.000 2.662 379 F HA 0.471 5.000 4.527 0.002 0.000 0.312 379 F C -0.779 174.955 175.800 -0.111 0.000 1.113 379 F CA -1.097 56.838 58.000 -0.108 0.000 0.951 379 F CB 1.379 40.303 39.000 -0.127 0.000 1.344 379 F HN -0.263 nan 8.300 nan 0.000 0.462 380 L N 1.336 122.598 121.223 0.065 0.000 2.333 380 L HA 0.660 4.998 4.340 -0.003 0.000 0.269 380 L C -0.672 176.136 176.870 -0.103 0.000 1.010 380 L CA -0.906 53.925 54.840 -0.016 0.000 0.818 380 L CB 2.439 44.480 42.059 -0.030 0.000 1.306 380 L HN 0.607 nan 8.230 nan 0.000 0.430 381 K N 0.369 120.712 120.400 -0.094 0.000 2.378 381 K HA 0.340 4.658 4.320 -0.003 0.000 0.244 381 K C -0.996 175.551 176.600 -0.089 0.000 1.039 381 K CA -0.923 55.278 56.287 -0.143 0.000 0.863 381 K CB 2.072 34.507 32.500 -0.109 0.000 1.326 381 K HN 0.468 nan 8.250 nan 0.000 0.460 382 Q N 0.141 119.888 119.800 -0.088 0.000 2.283 382 Q HA 0.039 4.377 4.340 -0.003 0.000 0.301 382 Q C 0.559 176.553 176.000 -0.010 0.000 1.063 382 Q CA 1.812 57.593 55.803 -0.036 0.000 0.952 382 Q CB 0.078 28.782 28.738 -0.056 0.000 1.166 382 Q HN 0.805 nan 8.270 nan 0.000 0.381 383 G N 3.351 112.161 108.800 0.016 0.000 2.258 383 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.233 383 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.233 383 G C -0.427 174.484 174.900 0.019 0.000 1.006 383 G CA 0.036 45.148 45.100 0.021 0.000 0.620 383 G HN 0.701 nan 8.290 nan 0.000 0.511 384 D N 0.785 121.192 120.400 0.013 0.000 2.372 384 D HA 0.471 5.109 4.640 -0.003 0.000 0.243 384 D C 0.852 177.169 176.300 0.029 0.000 1.121 384 D CA 0.717 54.727 54.000 0.017 0.000 0.898 384 D CB 1.745 42.550 40.800 0.009 0.000 1.202 384 D HN 0.925 nan 8.370 nan 0.000 0.428 385 V N -1.502 118.430 119.914 0.030 0.000 2.555 385 V HA 0.955 5.073 4.120 -0.003 0.000 0.302 385 V C -0.229 175.888 176.094 0.040 0.000 1.038 385 V CA -0.856 61.464 62.300 0.034 0.000 0.887 385 V CB 1.181 33.020 31.823 0.028 0.000 0.991 385 V HN 0.688 nan 8.190 nan 0.000 0.434 386 A N 4.149 126.999 122.820 0.051 0.000 2.599 386 A HA 0.885 5.203 4.320 -0.003 0.000 0.290 386 A C -1.216 176.411 177.584 0.071 0.000 1.101 386 A CA -0.787 51.281 52.037 0.051 0.000 0.674 386 A CB 1.532 20.556 19.000 0.040 0.000 1.277 386 A HN 0.872 nan 8.150 nan 0.000 0.419 387 I N 1.000 121.607 120.570 0.062 0.000 2.336 387 I HA 0.561 4.729 4.170 -0.003 0.000 0.292 387 I C -0.864 175.283 176.117 0.050 0.000 0.991 387 I CA -0.703 60.645 61.300 0.080 0.000 1.227 387 I CB 1.612 39.652 38.000 0.067 0.000 1.366 387 I HN 0.340 nan 8.210 nan 0.000 0.466 388 V N 6.043 125.999 119.914 0.071 0.000 2.971 388 V HA 0.424 4.542 4.120 -0.003 0.000 0.309 388 V C -0.446 175.586 176.094 -0.103 0.000 1.130 388 V CA -1.002 61.256 62.300 -0.071 0.000 0.964 388 V CB 2.539 34.277 31.823 -0.140 0.000 1.029 388 V HN 0.608 nan 8.190 nan 0.000 0.427 389 K N 2.174 122.415 120.400 -0.266 0.000 2.156 389 K HA 0.769 5.087 4.320 -0.003 0.000 0.254 389 K C -1.710 174.558 176.600 -0.553 0.000 0.950 389 K CA -0.397 55.742 56.287 -0.246 0.000 0.849 389 K CB 1.960 34.371 32.500 -0.149 0.000 1.100 389 K HN 0.454 nan 8.250 nan 0.000 0.434 390 F N 1.121 120.747 119.950 -0.540 0.000 2.565 390 F HA 0.380 4.906 4.527 -0.002 0.000 0.313 390 F C -0.044 175.406 175.800 -0.584 0.000 1.091 390 F CA -0.981 56.618 58.000 -0.668 0.000 0.915 390 F CB 1.786 40.065 39.000 -1.202 0.000 1.208 390 F HN 0.009 nan 8.300 nan 0.000 0.453 391 K N 3.392 123.702 120.400 -0.150 0.000 2.507 391 K HA 0.385 4.703 4.320 -0.003 0.000 0.253 391 K C -2.864 173.717 176.600 -0.031 0.000 0.969 391 K CA -2.018 54.220 56.287 -0.082 0.000 0.908 391 K CB 1.777 34.241 32.500 -0.060 0.000 1.127 391 K HN 0.166 nan 8.250 nan 0.000 0.437 392 P HA 0.067 nan 4.420 nan 0.000 0.265 392 P C 0.994 178.300 177.300 0.009 0.000 1.193 392 P CA -0.300 62.818 63.100 0.030 0.000 0.765 392 P CB 0.567 32.312 31.700 0.074 0.000 0.823 393 I N 1.817 122.386 120.570 -0.002 0.000 2.676 393 I HA -0.085 4.083 4.170 -0.003 0.000 0.259 393 I C 1.244 177.359 176.117 -0.003 0.000 1.194 393 I CA 1.563 62.859 61.300 -0.006 0.000 1.473 393 I CB -1.297 36.696 38.000 -0.013 0.000 1.096 393 I HN 0.458 nan 8.210 nan 0.000 0.443 394 K N 0.391 120.790 120.400 -0.001 0.000 2.509 394 K HA 0.547 4.865 4.320 -0.003 0.000 0.266 394 K C -3.041 173.565 176.600 0.010 0.000 0.987 394 K CA -1.847 54.441 56.287 0.001 0.000 0.868 394 K CB 1.322 33.818 32.500 -0.007 0.000 1.421 394 K HN -0.344 nan 8.250 nan 0.000 0.444 395 P HA -0.028 nan 4.420 nan 0.000 0.261 395 P C -1.299 176.014 177.300 0.022 0.000 1.183 395 P CA -0.108 63.005 63.100 0.021 0.000 0.761 395 P CB 0.264 31.974 31.700 0.017 0.000 0.785 396 L N 5.751 126.994 121.223 0.034 0.000 2.409 396 L HA 0.406 4.744 4.340 -0.003 0.000 0.272 396 L C -1.168 175.722 176.870 0.032 0.000 0.980 396 L CA -0.621 54.237 54.840 0.030 0.000 0.826 396 L CB 1.279 43.356 42.059 0.031 0.000 1.268 396 L HN 0.352 nan 8.230 nan 0.000 0.407 397 C N 5.068 124.398 119.300 0.049 0.000 2.499 397 C HA 0.765 5.223 4.460 -0.003 0.000 0.386 397 C C 0.296 175.330 174.990 0.073 0.000 1.293 397 C CA -0.437 58.601 59.018 0.032 0.000 1.884 397 C CB -0.407 27.328 27.740 -0.009 0.000 2.509 397 C HN 0.684 nan 8.230 nan 0.000 0.566 398 V N 1.548 121.442 119.914 -0.033 0.000 3.206 398 V HA 0.811 4.929 4.120 -0.003 0.000 0.305 398 V C -1.176 174.872 176.094 -0.077 0.000 1.257 398 V CA -0.635 61.617 62.300 -0.081 0.000 1.057 398 V CB 2.158 33.778 31.823 -0.337 0.000 1.075 398 V HN 0.671 nan 8.190 nan 0.000 0.443 399 E N -0.022 120.159 120.200 -0.031 0.000 2.416 399 E HA 0.486 4.834 4.350 -0.003 0.000 0.273 399 E C -1.370 175.289 176.600 0.098 0.000 0.935 399 E CA -0.998 55.435 56.400 0.054 0.000 0.784 399 E CB 2.431 32.222 29.700 0.152 0.000 1.301 399 E HN 0.732 nan 8.360 nan 0.000 0.454 400 K N 0.786 121.268 120.400 0.138 0.000 2.401 400 K HA -0.000 4.318 4.320 -0.003 0.000 0.278 400 K C 0.738 177.434 176.600 0.160 0.000 1.018 400 K CA 0.074 56.447 56.287 0.143 0.000 0.981 400 K CB 0.452 33.022 32.500 0.117 0.000 0.933 400 K HN 0.468 nan 8.250 nan 0.000 0.477 401 Y N 3.629 123.966 120.300 0.063 0.000 2.165 401 Y HA -0.283 4.264 4.550 -0.005 0.000 0.286 401 Y C 1.635 177.546 175.900 0.019 0.000 1.155 401 Y CA 2.306 60.434 58.100 0.046 0.000 1.164 401 Y CB -0.156 38.322 38.460 0.029 0.000 0.978 401 Y HN 0.739 nan 8.280 nan 0.000 0.513 402 N N -0.263 118.435 118.700 -0.003 0.000 2.521 402 N HA -0.079 4.659 4.740 -0.003 0.000 0.188 402 N C 0.961 176.361 175.510 -0.183 0.000 1.146 402 N CA 1.253 54.228 53.050 -0.125 0.000 0.893 402 N CB -0.351 38.126 38.487 -0.017 0.000 0.975 402 N HN 0.576 nan 8.380 nan 0.000 0.451 403 E N -1.069 119.029 120.200 -0.169 0.000 2.228 403 E HA 0.196 4.544 4.350 -0.003 0.000 0.197 403 E C -0.653 175.591 176.600 -0.595 0.000 0.909 403 E CA 0.396 56.597 56.400 -0.331 0.000 0.911 403 E CB 0.305 29.917 29.700 -0.147 0.000 0.887 403 E HN 0.248 nan 8.360 nan 0.000 0.481 404 F N 0.369 120.247 119.950 -0.120 0.000 2.810 404 F HA 0.303 4.827 4.527 -0.005 0.000 0.373 404 F C -2.230 173.480 175.800 -0.151 0.000 1.174 404 F CA -1.969 55.957 58.000 -0.123 0.000 1.141 404 F CB 1.771 40.717 39.000 -0.089 0.000 1.420 404 F HN -0.126 nan 8.300 nan 0.000 0.518 405 P HA -0.150 nan 4.420 nan 0.000 0.216 405 P C -1.355 175.972 177.300 0.045 0.000 1.153 405 P CA 1.700 64.632 63.100 -0.280 0.000 0.858 405 P CB -0.524 30.902 31.700 -0.456 0.000 0.789 406 P HA -0.074 nan 4.420 nan 0.000 0.225 406 P C 0.608 177.995 177.300 0.145 0.000 1.148 406 P CA 1.154 64.315 63.100 0.102 0.000 0.779 406 P CB -0.199 31.540 31.700 0.064 0.000 0.780 407 L N -2.626 118.683 121.223 0.144 0.000 2.857 407 L HA 0.391 4.729 4.340 -0.003 0.000 0.249 407 L C 1.649 178.626 176.870 0.177 0.000 1.172 407 L CA 0.453 55.401 54.840 0.180 0.000 0.980 407 L CB -0.323 41.740 42.059 0.007 0.000 1.299 407 L HN -0.081 nan 8.230 nan 0.000 0.535 408 G N -0.980 107.950 108.800 0.217 0.000 3.441 408 G HA2 0.162 4.120 3.960 -0.003 0.000 0.263 408 G HA3 0.162 4.120 3.960 -0.003 0.000 0.263 408 G C 0.442 175.526 174.900 0.306 0.000 1.014 408 G CA -0.283 44.968 45.100 0.252 0.000 0.833 408 G HN 0.122 nan 8.290 nan 0.000 0.514 409 R N 0.343 120.996 120.500 0.255 0.000 2.562 409 R HA 0.661 4.999 4.340 -0.003 0.000 0.298 409 R C -1.229 175.120 176.300 0.081 0.000 0.961 409 R CA -0.735 55.392 56.100 0.045 0.000 0.881 409 R CB 1.080 31.377 30.300 -0.005 0.000 1.159 409 R HN 0.072 nan 8.270 nan 0.000 0.450 410 F N 0.932 120.856 119.950 -0.044 0.000 2.629 410 F HA 0.864 5.388 4.527 -0.004 0.000 0.316 410 F C -1.490 174.298 175.800 -0.021 0.000 1.081 410 F CA -1.290 56.683 58.000 -0.046 0.000 0.954 410 F CB 1.447 40.388 39.000 -0.099 0.000 1.337 410 F HN 0.525 nan 8.300 nan 0.000 0.474 411 A N 2.385 125.345 122.820 0.233 0.000 2.350 411 A HA 0.793 5.111 4.320 -0.003 0.000 0.324 411 A C -1.054 176.698 177.584 0.281 0.000 1.118 411 A CA -0.885 51.234 52.037 0.137 0.000 0.783 411 A CB 1.132 20.146 19.000 0.024 0.000 1.236 411 A HN 0.840 nan 8.150 nan 0.000 0.457 412 M N 2.969 122.729 119.600 0.266 0.000 2.157 412 M HA 0.423 4.901 4.480 -0.003 0.000 0.354 412 M C -0.031 176.391 176.300 0.202 0.000 1.170 412 M CA -0.134 55.335 55.300 0.281 0.000 1.060 412 M CB 1.131 33.956 32.600 0.375 0.000 1.615 412 M HN 0.566 nan 8.290 nan 0.000 0.460 413 R N 1.824 122.422 120.500 0.163 0.000 2.711 413 R HA 0.652 4.990 4.340 -0.003 0.000 0.284 413 R C -1.402 174.993 176.300 0.158 0.000 0.968 413 R CA -0.720 55.440 56.100 0.100 0.000 0.924 413 R CB 1.872 32.149 30.300 -0.039 0.000 1.162 413 R HN 0.565 nan 8.270 nan 0.000 0.465 414 D N 1.594 122.099 120.400 0.175 0.000 2.836 414 D HA 0.210 4.848 4.640 -0.003 0.000 0.215 414 D C 0.030 176.432 176.300 0.170 0.000 1.255 414 D CA -0.339 53.784 54.000 0.204 0.000 0.822 414 D CB 1.031 42.028 40.800 0.328 0.000 1.656 414 D HN 0.528 nan 8.370 nan 0.000 0.511 415 M N 2.042 121.714 119.600 0.120 0.000 2.503 415 M HA -0.236 4.242 4.480 -0.003 0.000 0.199 415 M C 0.966 177.250 176.300 -0.026 0.000 0.466 415 M CA 1.151 56.492 55.300 0.069 0.000 0.510 415 M CB -1.819 30.860 32.600 0.133 0.000 1.858 415 M HN 0.806 nan 8.290 nan 0.000 0.799 416 G N -0.483 108.300 108.800 -0.028 0.000 2.148 416 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.254 416 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.254 416 G C 0.011 174.818 174.900 -0.155 0.000 0.981 416 G CA 0.818 45.870 45.100 -0.081 0.000 0.670 416 G HN 0.449 nan 8.290 nan 0.000 0.528 417 K N -0.190 120.109 120.400 -0.168 0.000 2.395 417 K HA 0.580 4.898 4.320 -0.003 0.000 0.247 417 K C -0.452 176.104 176.600 -0.073 0.000 0.973 417 K CA -0.620 55.509 56.287 -0.264 0.000 0.828 417 K CB 1.552 33.630 32.500 -0.703 0.000 1.272 417 K HN 0.033 nan 8.250 nan 0.000 0.439 418 T N 1.460 115.982 114.554 -0.054 0.000 2.723 418 T HA 0.106 4.454 4.350 -0.003 0.000 0.297 418 T C 1.491 176.320 174.700 0.215 0.000 0.925 418 T CA -0.254 61.876 62.100 0.050 0.000 1.030 418 T CB 0.552 69.424 68.868 0.005 0.000 0.905 418 T HN 0.201 nan 8.240 nan 0.000 0.502 419 V N 2.898 122.996 119.914 0.307 0.000 2.488 419 V HA 0.261 4.379 4.120 -0.003 0.000 0.246 419 V C 1.423 177.696 176.094 0.297 0.000 1.046 419 V CA 1.411 63.954 62.300 0.406 0.000 1.053 419 V CB -0.406 31.679 31.823 0.437 0.000 0.679 419 V HN 0.990 nan 8.190 nan 0.000 0.458 420 G N -1.572 107.371 108.800 0.239 0.000 2.623 420 G HA2 0.555 4.513 3.960 -0.003 0.000 0.290 420 G HA3 0.555 4.513 3.960 -0.003 0.000 0.290 420 G C -2.081 172.862 174.900 0.073 0.000 1.437 420 G CA -0.325 44.877 45.100 0.170 0.000 0.798 420 G HN -0.122 nan 8.290 nan 0.000 0.488 421 V N -0.560 119.329 119.914 -0.041 0.000 2.823 421 V HA 0.960 5.078 4.120 -0.003 0.000 0.312 421 V C 0.500 176.340 176.094 -0.424 0.000 1.072 421 V CA 0.144 62.306 62.300 -0.230 0.000 0.937 421 V CB 1.930 33.651 31.823 -0.170 0.000 1.013 421 V HN 1.464 nan 8.190 nan 0.000 0.430 422 G N 2.933 111.146 108.800 -0.979 0.000 2.690 422 G HA2 0.778 4.736 3.960 -0.003 0.000 0.293 422 G HA3 0.778 4.736 3.960 -0.003 0.000 0.293 422 G C -1.343 173.054 174.900 -0.837 0.000 1.399 422 G CA -0.686 43.837 45.100 -0.962 0.000 0.890 422 G HN 0.888 nan 8.290 nan 0.000 0.485 423 I N -0.977 119.384 120.570 -0.348 0.000 2.441 423 I HA 0.622 4.790 4.170 -0.003 0.000 0.295 423 I C -0.465 175.725 176.117 0.122 0.000 0.994 423 I CA -1.209 59.968 61.300 -0.205 0.000 1.144 423 I CB 2.127 39.868 38.000 -0.432 0.000 1.314 423 I HN 0.234 nan 8.210 nan 0.000 0.445 424 I N 5.657 126.366 120.570 0.232 0.000 2.416 424 I HA 0.103 4.271 4.170 -0.003 0.000 0.288 424 I C 1.128 177.383 176.117 0.229 0.000 1.051 424 I CA -0.351 61.115 61.300 0.276 0.000 1.375 424 I CB 1.749 39.816 38.000 0.110 0.000 1.407 424 I HN 0.677 nan 8.210 nan 0.000 0.516 425 V N 0.664 120.717 119.914 0.233 0.000 3.605 425 V HA 0.394 4.512 4.120 -0.003 0.000 0.284 425 V C -0.131 176.059 176.094 0.159 0.000 1.386 425 V CA 0.214 62.620 62.300 0.176 0.000 1.053 425 V CB 0.199 32.111 31.823 0.150 0.000 0.857 425 V HN 0.820 nan 8.190 nan 0.000 0.436 426 D N -0.913 119.602 120.400 0.192 0.000 2.769 426 D HA 0.573 5.211 4.640 -0.003 0.000 0.219 426 D C -1.596 174.825 176.300 0.201 0.000 1.245 426 D CA -0.190 53.908 54.000 0.163 0.000 0.801 426 D CB 2.584 43.467 40.800 0.139 0.000 1.598 426 D HN 0.002 nan 8.370 nan 0.000 0.485 427 V N 3.180 123.188 119.914 0.157 0.000 2.588 427 V HA 0.432 4.550 4.120 -0.003 0.000 0.304 427 V C -0.393 175.778 176.094 0.128 0.000 1.042 427 V CA -0.958 61.446 62.300 0.172 0.000 0.877 427 V CB 1.864 33.761 31.823 0.123 0.000 0.996 427 V HN 0.545 nan 8.190 nan 0.000 0.425 428 K N 7.167 127.646 120.400 0.131 0.000 2.266 428 K HA 0.374 4.692 4.320 -0.003 0.000 0.274 428 K C -2.413 174.237 176.600 0.083 0.000 1.090 428 K CA -1.707 54.633 56.287 0.088 0.000 0.925 428 K CB 1.267 33.812 32.500 0.074 0.000 1.225 428 K HN 0.406 nan 8.250 nan 0.000 0.458 429 P HA -0.022 nan 4.420 nan 0.000 0.269 429 P C -0.513 176.814 177.300 0.044 0.000 1.209 429 P CA -0.066 63.066 63.100 0.053 0.000 0.776 429 P CB 1.109 32.834 31.700 0.042 0.000 0.876 430 A N 0.000 122.844 122.820 0.040 0.000 2.254 430 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 430 A CA 0.000 52.057 52.037 0.033 0.000 0.836 430 A CB 0.000 19.019 19.000 0.031 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486