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 3n8t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGYLTFVLH THIPYVRKHG KWPFGEEWVF EAISETYIPL LMEFERLRDS DATA SEQUENCE GVKFGIVINV TPVLAEQLTD EYMKKAFEEY MERKLKAMEE DLKSGKYDEK DATA SEQUENCE AVSYMLNYFR KVYDYWKAIN GDIIGKLREL QDQGYVEVIT SAATHGYLPL DATA SEQUENCE LGRDEAIRAQ IANGVATYEK HFGMKPKGIW LPECAYRPAG EWELPGGRKV DATA SEQUENCE KRQGIEKFLE EFGLRYFFVE SRLIDEGPAS NVYGEVLIAD TEKTTLRPYW DATA SEQUENCE IKGSNVAVFA RNRETGHQVW SAHYGYPGDF WYREFHKKAP KSGGQYWRIT DATA SEQUENCE SKEVGLGEKE FYDPDKAMER VEEHARHFVS LVERLLREHE EKFGEKGIIV DATA SEQUENCE APYDTELFGH WWFEGVKWLG RVLELLYQRG VETPTLSRFL EEYSGEKHEI DATA SEQUENCE ELPEGSWGAN SDHSTWWNEE TEWTWPHIYR AEDRMVAIVS RFRGRDELTN DATA SEQUENCE RVIEQLAREL LILEASDWQF LITTGQAKEY AKRRVLIHSR DFHRLANELV DATA SEQUENCE RYVKIGEFDV KLLEELEERD NPFRPVVVGP YVSENPPELE EYVEPPEVPP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.249 176.300 -0.086 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.536 32.600 -0.107 0.000 1.302 2 K N 1.345 121.685 120.400 -0.100 0.000 2.334 2 K HA 0.488 4.809 4.320 0.001 0.000 0.195 2 K C 0.824 177.374 176.600 -0.083 0.000 1.045 2 K CA 0.669 56.918 56.287 -0.063 0.000 1.004 2 K CB 0.914 33.392 32.500 -0.038 0.000 0.837 2 K HN 0.862 nan 8.250 nan 0.000 0.510 3 G N -0.068 108.600 108.800 -0.221 0.000 2.339 3 G HA2 0.074 4.035 3.960 0.001 0.000 0.275 3 G HA3 0.074 4.035 3.960 0.001 0.000 0.275 3 G C -1.992 172.648 174.900 -0.435 0.000 1.323 3 G CA -1.048 43.880 45.100 -0.287 0.000 0.927 3 G HN 0.033 nan 8.290 nan 0.000 0.486 4 Y N -0.649 119.657 120.300 0.011 0.000 2.524 4 Y HA 0.823 5.373 4.550 0.001 0.000 0.344 4 Y C -0.081 175.758 175.900 -0.102 0.000 1.012 4 Y CA -1.187 56.895 58.100 -0.031 0.000 1.068 4 Y CB 2.436 40.859 38.460 -0.062 0.000 1.249 4 Y HN 0.569 nan 8.280 nan 0.000 0.468 5 L N 2.498 123.752 121.223 0.052 0.000 2.476 5 L HA 0.590 4.931 4.340 0.001 0.000 0.269 5 L C -1.414 175.394 176.870 -0.103 0.000 0.965 5 L CA -0.194 54.603 54.840 -0.070 0.000 0.845 5 L CB 1.584 43.599 42.059 -0.074 0.000 1.259 5 L HN 0.728 nan 8.230 nan 0.000 0.403 6 T N 5.743 120.183 114.554 -0.189 0.000 2.815 6 T HA 0.477 4.828 4.350 0.001 0.000 0.289 6 T C -0.358 174.252 174.700 -0.150 0.000 1.000 6 T CA -0.160 61.853 62.100 -0.145 0.000 0.958 6 T CB 0.464 69.198 68.868 -0.223 0.000 0.944 6 T HN 0.274 nan 8.240 nan 0.000 0.442 7 F N 2.406 122.421 119.950 0.109 0.000 2.495 7 F HA 0.362 4.890 4.527 0.001 0.000 0.365 7 F C 0.491 176.338 175.800 0.078 0.000 1.090 7 F CA -0.529 57.568 58.000 0.162 0.000 1.235 7 F CB 0.620 39.725 39.000 0.176 0.000 1.119 7 F HN 0.176 nan 8.300 nan 0.000 0.562 8 V N 5.811 125.874 119.914 0.248 0.000 2.378 8 V HA 0.332 4.452 4.120 0.001 0.000 0.288 8 V C -0.199 175.961 176.094 0.111 0.000 1.016 8 V CA -0.785 61.546 62.300 0.052 0.000 0.840 8 V CB 1.407 33.074 31.823 -0.260 0.000 0.994 8 V HN 0.477 nan 8.190 nan 0.000 0.431 9 L N 4.861 126.151 121.223 0.112 0.000 2.280 9 L HA 0.486 4.827 4.340 0.001 0.000 0.287 9 L C -0.276 176.581 176.870 -0.021 0.000 1.023 9 L CA -0.670 54.268 54.840 0.163 0.000 0.819 9 L CB 1.017 43.204 42.059 0.213 0.000 1.212 9 L HN 0.724 nan 8.230 nan 0.000 0.420 10 H N 2.533 121.444 119.070 -0.265 0.000 2.761 10 H HA 0.292 4.849 4.556 0.001 0.000 0.284 10 H C -0.841 174.383 175.328 -0.173 0.000 1.105 10 H CA -0.383 55.367 56.048 -0.495 0.000 1.352 10 H CB 0.842 29.905 29.762 -1.164 0.000 1.423 10 H HN 0.472 nan 8.280 nan 0.000 0.464 11 T N 5.883 120.272 114.554 -0.274 0.000 2.801 11 T HA 0.221 4.572 4.350 0.001 0.000 0.306 11 T C -1.022 173.578 174.700 -0.166 0.000 1.020 11 T CA -0.465 61.527 62.100 -0.180 0.000 0.948 11 T CB -0.260 68.560 68.868 -0.080 0.000 0.962 11 T HN 0.710 nan 8.240 nan 0.000 0.465 12 H N 2.529 121.376 119.070 -0.372 0.000 3.042 12 H HA 0.637 5.194 4.556 0.001 0.000 0.345 12 H C -1.629 173.570 175.328 -0.216 0.000 1.052 12 H CA -0.837 55.020 56.048 -0.318 0.000 1.311 12 H CB 0.628 30.089 29.762 -0.502 0.000 1.810 12 H HN 0.564 nan 8.280 nan 0.000 0.505 13 I N 6.981 127.151 120.570 -0.668 0.000 2.686 13 I HA 0.364 4.535 4.170 0.001 0.000 0.295 13 I C -2.296 173.487 176.117 -0.557 0.000 1.114 13 I CA -2.234 58.726 61.300 -0.567 0.000 1.038 13 I CB 2.855 40.774 38.000 -0.136 0.000 1.238 13 I HN 0.477 nan 8.210 nan 0.000 0.420 14 P HA -0.081 nan 4.420 nan 0.000 0.272 14 P C -0.860 176.528 177.300 0.147 0.000 1.254 14 P CA -0.124 62.917 63.100 -0.098 0.000 0.795 14 P CB 0.472 32.092 31.700 -0.134 0.000 1.022 15 Y N 1.362 121.744 120.300 0.136 0.000 2.713 15 Y HA 0.120 4.671 4.550 0.001 0.000 0.341 15 Y C 1.077 177.127 175.900 0.249 0.000 1.167 15 Y CA 0.320 58.514 58.100 0.155 0.000 1.503 15 Y CB -0.327 38.198 38.460 0.109 0.000 1.199 15 Y HN 0.122 nan 8.280 nan 0.000 0.525 16 V N 3.691 123.426 119.914 -0.297 0.000 3.398 16 V HA 0.326 4.447 4.120 0.001 0.000 0.298 16 V C 0.672 176.609 176.094 -0.262 0.000 1.496 16 V CA -0.336 61.891 62.300 -0.121 0.000 1.044 16 V CB -0.331 31.518 31.823 0.044 0.000 0.880 16 V HN 0.640 nan 8.190 nan 0.000 0.443 17 R N 2.299 122.419 120.500 -0.633 0.000 2.538 17 R HA 0.110 4.451 4.340 0.001 0.000 0.282 17 R C 0.587 176.831 176.300 -0.093 0.000 1.009 17 R CA 0.654 56.588 56.100 -0.277 0.000 1.063 17 R CB -0.053 30.117 30.300 -0.217 0.000 0.945 17 R HN 0.496 nan 8.270 nan 0.000 0.414 18 K N 2.277 122.692 120.400 0.026 0.000 3.160 18 K HA -0.225 4.096 4.320 0.001 0.000 0.280 18 K C -0.362 176.195 176.600 -0.071 0.000 1.154 18 K CA 1.138 57.402 56.287 -0.038 0.000 0.822 18 K CB -1.088 31.307 32.500 -0.175 0.000 1.239 18 K HN 0.756 nan 8.250 nan 0.000 0.489 19 H N -0.472 118.616 119.070 0.031 0.000 2.581 19 H HA 0.251 4.808 4.556 0.002 0.000 0.275 19 H C 0.894 176.306 175.328 0.140 0.000 1.126 19 H CA 0.726 56.823 56.048 0.083 0.000 1.097 19 H CB 1.215 31.045 29.762 0.113 0.000 1.626 19 H HN 0.487 nan 8.280 nan 0.000 0.565 20 G N 0.673 109.563 108.800 0.151 0.000 2.379 20 G HA2 -0.110 3.851 3.960 0.001 0.000 0.609 20 G HA3 -0.110 3.851 3.960 0.001 0.000 0.609 20 G C 0.051 174.978 174.900 0.045 0.000 1.484 20 G CA -0.709 44.464 45.100 0.121 0.000 0.921 20 G HN -0.008 nan 8.290 nan 0.000 0.658 21 K N -0.967 119.469 120.400 0.060 0.000 2.240 21 K HA 0.222 4.543 4.320 0.001 0.000 0.202 21 K C 0.176 176.821 176.600 0.075 0.000 1.053 21 K CA 0.734 57.073 56.287 0.087 0.000 0.973 21 K CB 0.842 33.444 32.500 0.171 0.000 0.924 21 K HN 0.628 nan 8.250 nan 0.000 0.477 22 W N 1.443 122.640 121.300 -0.171 0.000 3.419 22 W HA 0.223 4.884 4.660 0.001 0.000 0.298 22 W C -2.147 174.196 176.519 -0.293 0.000 1.260 22 W CA -1.004 56.203 57.345 -0.230 0.000 1.199 22 W CB 0.877 30.267 29.460 -0.116 0.000 1.349 22 W HN -0.186 nan 8.180 nan 0.000 0.557 23 P HA 0.084 nan 4.420 nan 0.000 0.226 23 P C -0.432 176.168 177.300 -1.167 0.000 1.153 23 P CA 1.087 62.999 63.100 -1.980 0.000 0.777 23 P CB 0.227 30.581 31.700 -2.244 0.000 0.794 24 F N -0.416 118.989 119.950 -0.908 0.000 2.518 24 F HA 0.587 5.114 4.527 0.001 0.000 0.323 24 F C 1.121 176.015 175.800 -1.509 0.000 1.129 24 F CA -0.336 56.777 58.000 -1.479 0.000 0.920 24 F CB 1.747 39.992 39.000 -1.258 0.000 1.160 24 F HN 0.142 nan 8.300 nan 0.000 0.440 25 G N 2.865 110.700 108.800 -1.608 0.000 2.390 25 G HA2 -0.159 3.802 3.960 0.001 0.000 0.202 25 G HA3 -0.159 3.802 3.960 0.001 0.000 0.202 25 G C 0.763 175.331 174.900 -0.553 0.000 1.210 25 G CA -0.224 44.449 45.100 -0.713 0.000 1.271 25 G HN 0.443 nan 8.290 nan 0.000 0.543 26 E N 0.616 120.572 120.200 -0.406 0.000 2.160 26 E HA -0.116 4.235 4.350 0.001 0.000 0.195 26 E C 2.080 178.044 176.600 -1.060 0.000 0.991 26 E CA 1.447 57.477 56.400 -0.616 0.000 0.810 26 E CB -0.029 29.406 29.700 -0.442 0.000 0.742 26 E HN 0.503 nan 8.360 nan 0.000 0.466 27 E N 0.500 120.300 120.200 -0.667 0.000 2.118 27 E HA -0.209 4.142 4.350 0.001 0.000 0.195 27 E C 1.507 177.945 176.600 -0.271 0.000 0.992 27 E CA 1.312 57.468 56.400 -0.408 0.000 0.804 27 E CB -0.135 29.509 29.700 -0.094 0.000 0.741 27 E HN 0.310 nan 8.360 nan 0.000 0.458 28 W N 0.183 121.335 121.300 -0.247 0.000 2.338 28 W HA -0.137 4.524 4.660 0.002 0.000 0.304 28 W C 2.228 178.582 176.519 -0.276 0.000 1.212 28 W CA 0.953 58.184 57.345 -0.189 0.000 1.264 28 W CB -1.220 28.168 29.460 -0.120 0.000 1.142 28 W HN 0.063 nan 8.180 nan 0.000 0.512 29 V N -0.022 119.811 119.914 -0.134 0.000 2.343 29 V HA -0.304 3.817 4.120 0.001 0.000 0.247 29 V C 2.099 178.118 176.094 -0.126 0.000 1.051 29 V CA 1.849 64.068 62.300 -0.135 0.000 1.036 29 V CB -1.178 30.552 31.823 -0.154 0.000 0.654 29 V HN 0.036 nan 8.190 nan 0.000 0.451 30 F N 0.155 119.965 119.950 -0.234 0.000 2.186 30 F HA -0.143 4.384 4.527 0.001 0.000 0.299 30 F C 2.557 178.123 175.800 -0.389 0.000 1.090 30 F CA 1.241 58.996 58.000 -0.409 0.000 1.307 30 F CB -0.261 38.105 39.000 -1.057 0.000 1.019 30 F HN 0.174 nan 8.300 nan 0.000 0.489 31 E N 0.631 120.744 120.200 -0.145 0.000 2.106 31 E HA -0.175 4.176 4.350 0.001 0.000 0.192 31 E C 2.361 178.803 176.600 -0.263 0.000 0.984 31 E CA 0.898 57.250 56.400 -0.080 0.000 0.806 31 E CB -0.205 29.490 29.700 -0.008 0.000 0.750 31 E HN 0.371 nan 8.360 nan 0.000 0.458 32 A N 1.027 123.607 122.820 -0.400 0.000 1.930 32 A HA -0.146 4.174 4.320 0.001 0.000 0.217 32 A C 2.134 179.164 177.584 -0.923 0.000 1.175 32 A CA 0.900 52.511 52.037 -0.710 0.000 0.627 32 A CB -0.500 18.086 19.000 -0.690 0.000 0.815 32 A HN 0.125 nan 8.150 nan 0.000 0.443 33 I N 0.704 120.934 120.570 -0.567 0.000 2.127 33 I HA -0.282 3.889 4.170 0.001 0.000 0.241 33 I C 2.894 178.915 176.117 -0.161 0.000 1.075 33 I CA 1.867 62.953 61.300 -0.358 0.000 1.334 33 I CB -0.296 37.394 38.000 -0.518 0.000 1.040 33 I HN 0.502 nan 8.210 nan 0.000 0.405 34 S N -0.268 115.437 115.700 0.009 0.000 2.414 34 S HA -0.059 4.412 4.470 0.001 0.000 0.227 34 S C 1.687 176.512 174.600 0.376 0.000 1.022 34 S CA 0.686 59.063 58.200 0.296 0.000 0.958 34 S CB -0.238 63.219 63.200 0.428 0.000 0.797 34 S HN 0.487 nan 8.310 nan 0.000 0.493 35 E N 0.105 120.448 120.200 0.238 0.000 2.389 35 E HA 0.129 4.480 4.350 0.001 0.000 0.199 35 E C 1.069 177.743 176.600 0.123 0.000 0.978 35 E CA 0.763 57.380 56.400 0.362 0.000 0.912 35 E CB 0.394 30.367 29.700 0.455 0.000 0.907 35 E HN 0.527 nan 8.360 nan 0.000 0.494 36 T N -0.765 113.728 114.554 -0.102 0.000 3.174 36 T HA 0.073 4.424 4.350 0.001 0.000 0.252 36 T C 1.546 176.200 174.700 -0.077 0.000 0.984 36 T CA -0.073 61.943 62.100 -0.140 0.000 1.113 36 T CB -0.149 68.571 68.868 -0.245 0.000 1.088 36 T HN 0.142 nan 8.240 nan 0.000 0.442 37 Y N 1.146 121.437 120.300 -0.016 0.000 2.263 37 Y HA 0.188 4.739 4.550 0.001 0.000 0.292 37 Y C 2.298 178.186 175.900 -0.020 0.000 1.130 37 Y CA 0.348 58.439 58.100 -0.014 0.000 1.179 37 Y CB -0.255 38.218 38.460 0.022 0.000 0.998 37 Y HN 0.109 nan 8.280 nan 0.000 0.532 38 I N 0.143 120.797 120.570 0.141 0.000 2.286 38 I HA -0.126 4.044 4.170 0.001 0.000 0.245 38 I C -0.814 175.206 176.117 -0.162 0.000 1.104 38 I CA 0.634 61.983 61.300 0.080 0.000 1.397 38 I CB -1.382 36.748 38.000 0.218 0.000 1.072 38 I HN 0.105 nan 8.210 nan 0.000 0.417 39 P HA -0.161 nan 4.420 nan 0.000 0.215 39 P C 1.967 179.045 177.300 -0.370 0.000 1.153 39 P CA 1.466 64.402 63.100 -0.274 0.000 0.853 39 P CB 0.036 31.639 31.700 -0.162 0.000 0.788 40 L N -1.604 119.407 121.223 -0.354 0.000 2.046 40 L HA -0.181 4.160 4.340 0.001 0.000 0.208 40 L C 2.459 178.855 176.870 -0.789 0.000 1.077 40 L CA 1.369 55.797 54.840 -0.686 0.000 0.747 40 L CB -0.997 40.721 42.059 -0.568 0.000 0.896 40 L HN -0.041 nan 8.230 nan 0.000 0.432 41 L N -1.060 119.958 121.223 -0.342 0.000 2.042 41 L HA -0.256 4.085 4.340 0.001 0.000 0.210 41 L C 2.649 179.368 176.870 -0.252 0.000 1.076 41 L CA 1.415 56.185 54.840 -0.117 0.000 0.749 41 L CB -0.442 41.680 42.059 0.106 0.000 0.893 41 L HN 0.321 nan 8.230 nan 0.000 0.432 42 M N -0.801 118.490 119.600 -0.515 0.000 2.159 42 M HA -0.205 4.276 4.480 0.001 0.000 0.263 42 M C 2.200 178.290 176.300 -0.349 0.000 1.063 42 M CA 1.505 56.473 55.300 -0.553 0.000 1.110 42 M CB -0.329 31.865 32.600 -0.677 0.000 1.374 42 M HN 0.119 nan 8.290 nan 0.000 0.411 43 E N 0.684 120.634 120.200 -0.417 0.000 2.046 43 E HA -0.127 4.224 4.350 0.001 0.000 0.190 43 E C 1.613 178.055 176.600 -0.264 0.000 0.982 43 E CA 1.531 57.701 56.400 -0.384 0.000 0.800 43 E CB -0.147 29.252 29.700 -0.501 0.000 0.756 43 E HN 0.326 nan 8.360 nan 0.000 0.449 44 F N 1.614 121.435 119.950 -0.215 0.000 2.120 44 F HA -0.140 4.388 4.527 0.001 0.000 0.300 44 F C 2.195 177.947 175.800 -0.079 0.000 1.095 44 F CA 1.481 59.405 58.000 -0.127 0.000 1.249 44 F CB -0.929 38.094 39.000 0.037 0.000 0.995 44 F HN 0.182 nan 8.300 nan 0.000 0.480 45 E N -0.275 119.978 120.200 0.087 0.000 2.072 45 E HA -0.212 4.139 4.350 0.001 0.000 0.191 45 E C 2.386 178.971 176.600 -0.024 0.000 0.985 45 E CA 0.833 57.248 56.400 0.025 0.000 0.801 45 E CB -0.308 29.430 29.700 0.062 0.000 0.750 45 E HN 0.325 nan 8.360 nan 0.000 0.452 46 R N 1.075 121.537 120.500 -0.064 0.000 2.091 46 R HA -0.160 4.180 4.340 0.001 0.000 0.238 46 R C 2.353 178.612 176.300 -0.067 0.000 1.136 46 R CA 1.116 57.172 56.100 -0.073 0.000 0.959 46 R CB -0.189 30.045 30.300 -0.110 0.000 0.856 46 R HN 0.137 nan 8.270 nan 0.000 0.437 47 L N 0.019 121.187 121.223 -0.092 0.000 2.056 47 L HA -0.107 4.234 4.340 0.001 0.000 0.207 47 L C 2.891 179.767 176.870 0.011 0.000 1.078 47 L CA 1.385 56.178 54.840 -0.078 0.000 0.749 47 L CB -0.574 41.323 42.059 -0.270 0.000 0.901 47 L HN 0.223 nan 8.230 nan 0.000 0.433 48 R N 0.579 121.070 120.500 -0.015 0.000 2.094 48 R HA -0.220 4.121 4.340 0.001 0.000 0.239 48 R C 1.726 177.990 176.300 -0.060 0.000 1.137 48 R CA 2.304 58.283 56.100 -0.201 0.000 0.943 48 R CB -0.279 29.784 30.300 -0.396 0.000 0.850 48 R HN 0.309 nan 8.270 nan 0.000 0.433 49 D N -0.379 119.999 120.400 -0.036 0.000 2.350 49 D HA -0.077 4.564 4.640 0.001 0.000 0.216 49 D C 1.298 177.603 176.300 0.010 0.000 0.968 49 D CA 1.320 55.317 54.000 -0.005 0.000 0.894 49 D CB 0.165 40.964 40.800 -0.002 0.000 0.909 49 D HN 0.356 nan 8.370 nan 0.000 0.520 50 S N -1.396 114.310 115.700 0.010 0.000 2.568 50 S HA 0.389 4.860 4.470 0.001 0.000 0.232 50 S C 1.514 176.143 174.600 0.047 0.000 0.975 50 S CA 0.278 58.493 58.200 0.025 0.000 0.949 50 S CB 0.530 63.739 63.200 0.014 0.000 0.829 50 S HN 0.208 nan 8.310 nan 0.000 0.479 51 G N 0.640 109.469 108.800 0.048 0.000 2.143 51 G HA2 -0.245 3.715 3.960 0.001 0.000 0.249 51 G HA3 -0.245 3.715 3.960 0.001 0.000 0.249 51 G C 0.019 174.927 174.900 0.014 0.000 0.981 51 G CA 0.006 45.143 45.100 0.062 0.000 0.665 51 G HN 0.748 nan 8.290 nan 0.000 0.528 52 V N 0.768 120.673 119.914 -0.014 0.000 2.521 52 V HA 0.293 4.414 4.120 0.001 0.000 0.286 52 V C 0.971 176.924 176.094 -0.235 0.000 1.034 52 V CA 0.107 62.282 62.300 -0.208 0.000 1.045 52 V CB 1.199 33.022 31.823 -0.001 0.000 0.974 52 V HN 0.355 nan 8.190 nan 0.000 0.480 53 K N 5.595 125.502 120.400 -0.822 0.000 2.322 53 K HA 0.586 4.907 4.320 0.001 0.000 0.283 53 K C -0.523 176.063 176.600 -0.022 0.000 1.042 53 K CA 0.075 56.158 56.287 -0.340 0.000 0.958 53 K CB 0.615 32.908 32.500 -0.344 0.000 0.984 53 K HN 0.630 nan 8.250 nan 0.000 0.473 54 F N -1.347 118.619 119.950 0.027 0.000 2.741 54 F HA 0.751 5.278 4.527 0.001 0.000 0.313 54 F C -0.624 175.222 175.800 0.076 0.000 1.153 54 F CA -1.118 56.916 58.000 0.057 0.000 0.931 54 F CB 1.268 40.294 39.000 0.044 0.000 1.335 54 F HN 0.475 nan 8.300 nan 0.000 0.460 55 G N 1.003 109.906 108.800 0.172 0.000 2.706 55 G HA2 0.692 4.653 3.960 0.001 0.000 0.297 55 G HA3 0.692 4.653 3.960 0.001 0.000 0.297 55 G C -2.451 172.557 174.900 0.180 0.000 1.403 55 G CA -0.985 44.135 45.100 0.033 0.000 0.954 55 G HN 1.184 nan 8.290 nan 0.000 0.500 56 I N 0.634 121.257 120.570 0.087 0.000 2.841 56 I HA 0.604 4.775 4.170 0.001 0.000 0.298 56 I C -1.293 174.851 176.117 0.045 0.000 1.304 56 I CA -0.915 60.452 61.300 0.112 0.000 1.019 56 I CB 2.336 40.386 38.000 0.084 0.000 1.282 56 I HN 0.383 nan 8.210 nan 0.000 0.432 57 V N 7.250 127.216 119.914 0.087 0.000 2.472 57 V HA 0.545 4.666 4.120 0.001 0.000 0.290 57 V C -0.194 175.949 176.094 0.081 0.000 1.037 57 V CA -0.357 61.994 62.300 0.085 0.000 0.908 57 V CB 1.565 33.465 31.823 0.128 0.000 0.985 57 V HN 0.421 nan 8.190 nan 0.000 0.454 58 I N 3.757 124.364 120.570 0.062 0.000 2.499 58 I HA 0.372 4.543 4.170 0.001 0.000 0.288 58 I C -0.658 175.488 176.117 0.048 0.000 1.048 58 I CA -0.611 60.722 61.300 0.056 0.000 1.062 58 I CB 2.163 40.199 38.000 0.060 0.000 1.238 58 I HN 0.601 nan 8.210 nan 0.000 0.426 59 N N 6.174 124.898 118.700 0.040 0.000 2.426 59 N HA 0.423 5.163 4.740 0.001 0.000 0.257 59 N C -1.390 174.161 175.510 0.068 0.000 1.002 59 N CA -0.255 52.842 53.050 0.079 0.000 0.942 59 N CB 1.362 39.875 38.487 0.044 0.000 1.112 59 N HN 0.290 nan 8.380 nan 0.000 0.499 60 V N 3.154 123.134 119.914 0.111 0.000 2.384 60 V HA 0.363 4.484 4.120 0.001 0.000 0.287 60 V C 0.475 176.684 176.094 0.192 0.000 1.020 60 V CA -0.910 61.452 62.300 0.104 0.000 0.850 60 V CB 0.968 32.856 31.823 0.108 0.000 0.987 60 V HN 0.838 nan 8.190 nan 0.000 0.436 61 T N 3.433 118.100 114.554 0.188 0.000 2.900 61 T HA 0.186 4.537 4.350 0.001 0.000 0.307 61 T C -1.764 173.093 174.700 0.262 0.000 1.065 61 T CA -1.177 61.069 62.100 0.243 0.000 1.105 61 T CB 1.118 70.163 68.868 0.294 0.000 0.979 61 T HN 0.399 nan 8.240 nan 0.000 0.544 62 P HA -0.088 nan 4.420 nan 0.000 0.215 62 P C 1.786 179.285 177.300 0.333 0.000 1.153 62 P CA 0.309 63.635 63.100 0.377 0.000 0.853 62 P CB -0.100 31.880 31.700 0.466 0.000 0.788 63 V N -0.596 119.524 119.914 0.344 0.000 2.407 63 V HA -0.194 3.927 4.120 0.001 0.000 0.248 63 V C 2.169 178.360 176.094 0.162 0.000 1.055 63 V CA 1.522 63.948 62.300 0.210 0.000 1.049 63 V CB -1.054 30.948 31.823 0.298 0.000 0.662 63 V HN -0.024 nan 8.190 nan 0.000 0.455 64 L N 0.883 122.206 121.223 0.167 0.000 2.017 64 L HA 0.005 4.346 4.340 0.001 0.000 0.208 64 L C 2.509 179.397 176.870 0.029 0.000 1.073 64 L CA 2.552 57.444 54.840 0.087 0.000 0.745 64 L CB -1.163 40.930 42.059 0.056 0.000 0.894 64 L HN 0.289 nan 8.230 nan 0.000 0.432 65 A N -0.812 122.009 122.820 0.002 0.000 1.908 65 A HA -0.211 4.110 4.320 0.001 0.000 0.218 65 A C 2.125 179.626 177.584 -0.138 0.000 1.181 65 A CA 1.777 53.703 52.037 -0.185 0.000 0.627 65 A CB -0.621 18.179 19.000 -0.334 0.000 0.818 65 A HN 0.552 nan 8.150 nan 0.000 0.445 66 E N -0.184 120.036 120.200 0.034 0.000 2.153 66 E HA -0.201 4.149 4.350 0.001 0.000 0.194 66 E C 2.073 178.732 176.600 0.099 0.000 0.988 66 E CA 1.388 57.838 56.400 0.083 0.000 0.811 66 E CB -0.265 29.410 29.700 -0.043 0.000 0.746 66 E HN 0.823 nan 8.360 nan 0.000 0.466 67 Q N -0.331 119.531 119.800 0.104 0.000 2.250 67 Q HA 0.115 4.456 4.340 0.001 0.000 0.200 67 Q C 2.258 178.344 176.000 0.142 0.000 0.941 67 Q CA 0.243 56.132 55.803 0.144 0.000 0.872 67 Q CB 0.238 29.052 28.738 0.127 0.000 0.965 67 Q HN 0.220 nan 8.270 nan 0.000 0.480 68 L N 0.429 121.706 121.223 0.090 0.000 2.376 68 L HA -0.043 4.297 4.340 0.001 0.000 0.219 68 L C 1.899 178.825 176.870 0.095 0.000 1.133 68 L CA 1.148 56.049 54.840 0.102 0.000 0.816 68 L CB -0.245 41.830 42.059 0.027 0.000 0.933 68 L HN 0.295 nan 8.230 nan 0.000 0.449 69 T N -5.332 109.265 114.554 0.071 0.000 3.105 69 T HA 0.050 4.401 4.350 0.001 0.000 0.253 69 T C 0.235 175.009 174.700 0.123 0.000 1.047 69 T CA -0.431 61.716 62.100 0.078 0.000 0.944 69 T CB -0.214 68.712 68.868 0.097 0.000 1.016 69 T HN 0.057 nan 8.240 nan 0.000 0.544 70 D N 1.300 121.798 120.400 0.164 0.000 2.280 70 D HA 0.230 4.871 4.640 0.001 0.000 0.243 70 D C 1.308 177.741 176.300 0.221 0.000 1.129 70 D CA -0.332 53.784 54.000 0.193 0.000 0.848 70 D CB 1.326 42.267 40.800 0.234 0.000 1.107 70 D HN 0.019 nan 8.370 nan 0.000 0.471 71 E N 3.234 123.549 120.200 0.191 0.000 2.114 71 E HA -0.325 4.026 4.350 0.001 0.000 0.199 71 E C 1.288 178.026 176.600 0.231 0.000 1.008 71 E CA 1.681 58.194 56.400 0.189 0.000 0.810 71 E CB -0.437 29.352 29.700 0.149 0.000 0.739 71 E HN 0.772 nan 8.360 nan 0.000 0.456 72 Y N -0.159 120.227 120.300 0.144 0.000 2.145 72 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 72 Y C 2.046 178.061 175.900 0.192 0.000 1.145 72 Y CA 2.181 60.369 58.100 0.147 0.000 1.148 72 Y CB -0.232 38.306 38.460 0.131 0.000 0.981 72 Y HN 0.025 nan 8.280 nan 0.000 0.507 73 M N 0.790 120.578 119.600 0.313 0.000 2.149 73 M HA -0.217 4.264 4.480 0.001 0.000 0.261 73 M C 1.942 178.400 176.300 0.263 0.000 1.064 73 M CA 1.740 57.208 55.300 0.281 0.000 1.102 73 M CB -0.944 31.871 32.600 0.358 0.000 1.369 73 M HN 0.341 nan 8.290 nan 0.000 0.408 74 K N 0.042 120.619 120.400 0.295 0.000 2.025 74 K HA -0.123 4.198 4.320 0.001 0.000 0.207 74 K C 2.115 178.900 176.600 0.310 0.000 1.049 74 K CA 1.098 57.651 56.287 0.444 0.000 0.933 74 K CB -0.069 32.694 32.500 0.438 0.000 0.714 74 K HN 0.313 nan 8.250 nan 0.000 0.438 75 K N 0.403 120.886 120.400 0.139 0.000 2.057 75 K HA -0.084 4.237 4.320 0.001 0.000 0.207 75 K C 2.157 178.674 176.600 -0.138 0.000 1.049 75 K CA 1.188 57.491 56.287 0.026 0.000 0.931 75 K CB -0.092 32.417 32.500 0.014 0.000 0.714 75 K HN 0.115 nan 8.250 nan 0.000 0.440 76 A N 0.757 123.426 122.820 -0.251 0.000 2.015 76 A HA -0.150 4.171 4.320 0.001 0.000 0.219 76 A C 1.876 179.028 177.584 -0.720 0.000 1.163 76 A CA 0.955 52.763 52.037 -0.382 0.000 0.646 76 A CB -0.512 18.301 19.000 -0.311 0.000 0.806 76 A HN 0.405 nan 8.150 nan 0.000 0.448 77 F N 1.030 120.520 119.950 -0.767 0.000 2.187 77 F HA -0.016 4.511 4.527 0.001 0.000 0.295 77 F C 1.930 177.315 175.800 -0.692 0.000 1.091 77 F CA 1.703 59.048 58.000 -1.091 0.000 1.308 77 F CB -0.363 38.217 39.000 -0.700 0.000 1.030 77 F HN 0.333 nan 8.300 nan 0.000 0.487 78 E N 0.431 120.187 120.200 -0.741 0.000 2.058 78 E HA -0.248 4.102 4.350 0.001 0.000 0.194 78 E C 2.022 178.278 176.600 -0.573 0.000 0.997 78 E CA 1.890 57.930 56.400 -0.601 0.000 0.801 78 E CB -0.294 29.377 29.700 -0.048 0.000 0.746 78 E HN 0.589 nan 8.360 nan 0.000 0.450 79 E N 0.052 119.993 120.200 -0.431 0.000 2.077 79 E HA -0.230 4.121 4.350 0.001 0.000 0.193 79 E C 1.878 178.210 176.600 -0.447 0.000 0.989 79 E CA 1.219 57.406 56.400 -0.355 0.000 0.800 79 E CB -0.245 29.306 29.700 -0.249 0.000 0.746 79 E HN 0.348 nan 8.360 nan 0.000 0.452 80 Y N 0.837 120.704 120.300 -0.720 0.000 2.097 80 Y HA -0.302 4.248 4.550 0.001 0.000 0.282 80 Y C 2.232 177.718 175.900 -0.691 0.000 1.152 80 Y CA 1.498 59.197 58.100 -0.669 0.000 1.136 80 Y CB -0.093 37.856 38.460 -0.852 0.000 0.975 80 Y HN -0.028 nan 8.280 nan 0.000 0.498 81 M N 0.977 120.030 119.600 -0.913 0.000 2.073 81 M HA -0.252 4.229 4.480 0.001 0.000 0.258 81 M C 2.082 177.860 176.300 -0.870 0.000 1.070 81 M CA 1.896 56.569 55.300 -1.044 0.000 1.103 81 M CB -1.159 30.480 32.600 -1.601 0.000 1.321 81 M HN 0.430 nan 8.290 nan 0.000 0.405 82 E N -0.940 118.794 120.200 -0.777 0.000 2.058 82 E HA -0.245 4.105 4.350 0.001 0.000 0.194 82 E C 2.146 178.523 176.600 -0.371 0.000 0.997 82 E CA 1.455 57.569 56.400 -0.477 0.000 0.801 82 E CB -0.236 29.280 29.700 -0.307 0.000 0.746 82 E HN 0.409 nan 8.360 nan 0.000 0.450 83 R N 1.288 121.549 120.500 -0.398 0.000 2.096 83 R HA -0.205 4.136 4.340 0.001 0.000 0.240 83 R C 2.336 178.403 176.300 -0.389 0.000 1.139 83 R CA 1.721 57.609 56.100 -0.354 0.000 0.952 83 R CB -0.067 30.019 30.300 -0.357 0.000 0.854 83 R HN -0.042 nan 8.270 nan 0.000 0.436 84 K N 0.664 120.734 120.400 -0.550 0.000 2.026 84 K HA -0.141 4.180 4.320 0.001 0.000 0.208 84 K C 2.208 178.618 176.600 -0.317 0.000 1.048 84 K CA 1.539 57.523 56.287 -0.506 0.000 0.929 84 K CB -0.166 31.899 32.500 -0.724 0.000 0.713 84 K HN 0.262 nan 8.250 nan 0.000 0.439 85 L N 1.064 122.110 121.223 -0.295 0.000 1.994 85 L HA -0.212 4.128 4.340 0.001 0.000 0.208 85 L C 2.791 179.598 176.870 -0.105 0.000 1.071 85 L CA 1.546 56.296 54.840 -0.151 0.000 0.745 85 L CB -0.589 41.396 42.059 -0.123 0.000 0.892 85 L HN 0.259 nan 8.230 nan 0.000 0.431 86 K N 0.362 120.684 120.400 -0.130 0.000 2.052 86 K HA -0.290 4.031 4.320 0.001 0.000 0.215 86 K C 2.036 178.589 176.600 -0.078 0.000 1.053 86 K CA 2.012 58.240 56.287 -0.097 0.000 0.934 86 K CB -0.182 32.248 32.500 -0.117 0.000 0.717 86 K HN 0.327 nan 8.250 nan 0.000 0.450 87 A N 0.614 123.371 122.820 -0.105 0.000 1.969 87 A HA -0.102 4.219 4.320 0.001 0.000 0.218 87 A C 2.063 179.637 177.584 -0.017 0.000 1.169 87 A CA 1.443 53.436 52.037 -0.074 0.000 0.635 87 A CB -0.342 18.589 19.000 -0.116 0.000 0.810 87 A HN 0.362 nan 8.150 nan 0.000 0.445 88 M N -1.290 118.299 119.600 -0.018 0.000 2.200 88 M HA -0.122 4.358 4.480 0.001 0.000 0.265 88 M C 2.018 178.340 176.300 0.036 0.000 1.066 88 M CA 1.530 56.865 55.300 0.057 0.000 1.127 88 M CB -0.388 32.264 32.600 0.086 0.000 1.379 88 M HN 0.429 nan 8.290 nan 0.000 0.420 89 E N 0.445 120.650 120.200 0.007 0.000 2.070 89 E HA -0.205 4.146 4.350 0.001 0.000 0.197 89 E C 1.988 178.588 176.600 0.000 0.000 1.004 89 E CA 1.278 57.678 56.400 -0.001 0.000 0.805 89 E CB 0.093 29.786 29.700 -0.012 0.000 0.744 89 E HN 0.338 nan 8.360 nan 0.000 0.451 90 E N 0.515 120.717 120.200 0.003 0.000 2.152 90 E HA -0.145 4.206 4.350 0.001 0.000 0.192 90 E C 1.545 178.171 176.600 0.042 0.000 0.983 90 E CA 0.723 57.130 56.400 0.011 0.000 0.818 90 E CB -0.122 29.580 29.700 0.003 0.000 0.758 90 E HN 0.302 nan 8.360 nan 0.000 0.467 91 D N 0.629 121.074 120.400 0.075 0.000 2.144 91 D HA -0.124 4.517 4.640 0.001 0.000 0.200 91 D C 2.039 178.382 176.300 0.072 0.000 0.978 91 D CA 0.428 54.521 54.000 0.154 0.000 0.833 91 D CB -0.153 40.735 40.800 0.147 0.000 0.961 91 D HN 0.091 nan 8.370 nan 0.000 0.470 92 L N 1.351 122.568 121.223 -0.010 0.000 1.994 92 L HA -0.129 4.212 4.340 0.001 0.000 0.208 92 L C 1.946 178.794 176.870 -0.036 0.000 1.071 92 L CA 1.803 56.613 54.840 -0.050 0.000 0.745 92 L CB -0.319 41.710 42.059 -0.050 0.000 0.892 92 L HN -0.153 nan 8.230 nan 0.000 0.431 93 K N -0.638 119.749 120.400 -0.021 0.000 2.152 93 K HA -0.143 4.177 4.320 0.001 0.000 0.206 93 K C 2.135 178.717 176.600 -0.029 0.000 1.048 93 K CA 1.446 57.718 56.287 -0.024 0.000 0.933 93 K CB -0.312 32.177 32.500 -0.018 0.000 0.721 93 K HN 0.598 nan 8.250 nan 0.000 0.447 94 S N -0.245 115.442 115.700 -0.021 0.000 2.442 94 S HA -0.073 4.398 4.470 0.001 0.000 0.236 94 S C 1.728 176.280 174.600 -0.080 0.000 1.007 94 S CA 1.073 59.250 58.200 -0.040 0.000 0.965 94 S CB -0.392 62.794 63.200 -0.023 0.000 0.773 94 S HN 0.479 nan 8.310 nan 0.000 0.504 95 G N 1.528 110.273 108.800 -0.092 0.000 2.189 95 G HA2 -0.352 3.609 3.960 0.001 0.000 0.267 95 G HA3 -0.352 3.609 3.960 0.001 0.000 0.267 95 G C 0.789 175.578 174.900 -0.185 0.000 0.975 95 G CA 0.681 45.710 45.100 -0.119 0.000 0.644 95 G HN 0.602 nan 8.290 nan 0.000 0.537 96 K N -0.971 119.248 120.400 -0.302 0.000 2.442 96 K HA 0.138 4.459 4.320 0.001 0.000 0.198 96 K C 0.329 176.556 176.600 -0.622 0.000 1.042 96 K CA 0.794 56.760 56.287 -0.534 0.000 0.958 96 K CB 0.038 32.044 32.500 -0.823 0.000 0.766 96 K HN 0.606 nan 8.250 nan 0.000 0.474 97 Y N -0.288 119.933 120.300 -0.131 0.000 2.545 97 Y HA 0.105 4.655 4.550 0.001 0.000 0.348 97 Y C -0.424 175.042 175.900 -0.722 0.000 1.002 97 Y CA -1.957 55.922 58.100 -0.369 0.000 1.039 97 Y CB 1.182 39.424 38.460 -0.363 0.000 1.271 97 Y HN -0.116 nan 8.280 nan 0.000 0.467 98 D N 1.645 121.271 120.400 -1.291 0.000 2.520 98 D HA -0.056 4.584 4.640 0.001 0.000 0.243 98 D C 0.696 176.695 176.300 -0.502 0.000 1.160 98 D CA 0.726 54.201 54.000 -0.874 0.000 0.877 98 D CB 0.837 41.024 40.800 -1.022 0.000 1.150 98 D HN 0.638 nan 8.370 nan 0.000 0.494 99 E N 2.940 122.960 120.200 -0.300 0.000 2.153 99 E HA -0.237 4.114 4.350 0.001 0.000 0.194 99 E C 1.578 178.100 176.600 -0.130 0.000 0.988 99 E CA 0.824 57.106 56.400 -0.196 0.000 0.811 99 E CB 0.074 29.696 29.700 -0.129 0.000 0.746 99 E HN 0.551 nan 8.360 nan 0.000 0.466 100 K N 1.060 121.397 120.400 -0.105 0.000 2.026 100 K HA -0.141 4.180 4.320 0.001 0.000 0.208 100 K C 2.140 178.762 176.600 0.036 0.000 1.048 100 K CA 1.218 57.493 56.287 -0.020 0.000 0.929 100 K CB -0.138 32.345 32.500 -0.027 0.000 0.713 100 K HN 0.068 nan 8.250 nan 0.000 0.439 101 A N 0.681 123.487 122.820 -0.023 0.000 1.859 101 A HA -0.175 4.146 4.320 0.001 0.000 0.217 101 A C 2.296 179.906 177.584 0.043 0.000 1.198 101 A CA 2.167 54.243 52.037 0.065 0.000 0.629 101 A CB -0.967 18.035 19.000 0.003 0.000 0.830 101 A HN 0.193 nan 8.150 nan 0.000 0.446 102 V N 0.545 120.312 119.914 -0.244 0.000 2.358 102 V HA -0.190 3.931 4.120 0.001 0.000 0.246 102 V C 2.975 179.042 176.094 -0.045 0.000 1.047 102 V CA 2.340 64.413 62.300 -0.378 0.000 1.035 102 V CB -0.703 30.738 31.823 -0.637 0.000 0.658 102 V HN 0.839 nan 8.190 nan 0.000 0.452 103 S N -0.877 114.815 115.700 -0.013 0.000 2.414 103 S HA -0.207 4.264 4.470 0.001 0.000 0.227 103 S C 2.010 176.676 174.600 0.111 0.000 1.022 103 S CA 1.170 59.394 58.200 0.041 0.000 0.958 103 S CB -0.673 62.539 63.200 0.020 0.000 0.797 103 S HN 0.620 nan 8.310 nan 0.000 0.493 104 Y N 2.210 122.552 120.300 0.069 0.000 2.145 104 Y HA -0.110 4.441 4.550 0.001 0.000 0.286 104 Y C 2.414 178.410 175.900 0.160 0.000 1.145 104 Y CA 2.081 60.256 58.100 0.124 0.000 1.148 104 Y CB -0.304 38.252 38.460 0.161 0.000 0.981 104 Y HN 0.169 nan 8.280 nan 0.000 0.507 105 M N -0.632 119.118 119.600 0.251 0.000 2.086 105 M HA -0.177 4.304 4.480 0.001 0.000 0.261 105 M C 2.289 178.749 176.300 0.266 0.000 1.067 105 M CA 1.400 56.829 55.300 0.215 0.000 1.116 105 M CB -1.501 31.281 32.600 0.304 0.000 1.348 105 M HN 0.484 nan 8.290 nan 0.000 0.407 106 L N 1.536 122.894 121.223 0.225 0.000 2.042 106 L HA -0.198 4.143 4.340 0.001 0.000 0.210 106 L C 1.931 178.881 176.870 0.134 0.000 1.076 106 L CA 1.914 56.869 54.840 0.193 0.000 0.749 106 L CB -0.879 41.246 42.059 0.111 0.000 0.893 106 L HN 0.265 nan 8.230 nan 0.000 0.432 107 N N -1.512 117.218 118.700 0.051 0.000 2.270 107 N HA -0.216 4.524 4.740 0.001 0.000 0.181 107 N C 1.776 177.260 175.510 -0.045 0.000 1.016 107 N CA 1.487 54.536 53.050 -0.003 0.000 0.870 107 N CB -0.523 37.940 38.487 -0.039 0.000 0.979 107 N HN 0.557 nan 8.380 nan 0.000 0.431 108 Y N 0.547 120.684 120.300 -0.272 0.000 2.145 108 Y HA -0.151 4.399 4.550 0.001 0.000 0.286 108 Y C 1.705 177.414 175.900 -0.319 0.000 1.145 108 Y CA 1.522 59.386 58.100 -0.394 0.000 1.148 108 Y CB -0.395 37.729 38.460 -0.560 0.000 0.981 108 Y HN -0.131 nan 8.280 nan 0.000 0.507 109 F N 0.104 120.161 119.950 0.179 0.000 2.293 109 F HA -0.072 4.456 4.527 0.002 0.000 0.300 109 F C 2.361 178.205 175.800 0.073 0.000 1.086 109 F CA 1.227 59.294 58.000 0.111 0.000 1.375 109 F CB -0.563 38.525 39.000 0.147 0.000 1.045 109 F HN -0.058 nan 8.300 nan 0.000 0.516 110 R N 0.345 120.959 120.500 0.190 0.000 2.066 110 R HA -0.114 4.227 4.340 0.001 0.000 0.232 110 R C 2.184 178.559 176.300 0.125 0.000 1.131 110 R CA 1.208 57.406 56.100 0.163 0.000 0.955 110 R CB -0.312 30.049 30.300 0.101 0.000 0.851 110 R HN 0.208 nan 8.270 nan 0.000 0.432 111 K N 0.286 120.694 120.400 0.014 0.000 2.063 111 K HA -0.122 4.199 4.320 0.001 0.000 0.208 111 K C 2.079 178.695 176.600 0.027 0.000 1.048 111 K CA 1.325 57.596 56.287 -0.026 0.000 0.928 111 K CB -0.131 32.275 32.500 -0.158 0.000 0.713 111 K HN 0.017 nan 8.250 nan 0.000 0.442 112 V N 0.548 120.456 119.914 -0.010 0.000 2.261 112 V HA -0.290 3.830 4.120 0.001 0.000 0.246 112 V C 2.011 178.340 176.094 0.391 0.000 1.047 112 V CA 1.756 64.132 62.300 0.128 0.000 1.015 112 V CB -0.512 31.407 31.823 0.160 0.000 0.642 112 V HN 0.333 nan 8.190 nan 0.000 0.446 113 Y N 0.568 121.003 120.300 0.225 0.000 2.224 113 Y HA -0.257 4.294 4.550 0.001 0.000 0.289 113 Y C 2.536 178.604 175.900 0.280 0.000 1.146 113 Y CA 1.440 59.689 58.100 0.248 0.000 1.182 113 Y CB 0.039 38.564 38.460 0.109 0.000 0.983 113 Y HN 0.334 nan 8.280 nan 0.000 0.524 114 D N -0.358 120.148 120.400 0.176 0.000 2.104 114 D HA -0.258 4.383 4.640 0.001 0.000 0.194 114 D C 1.727 178.087 176.300 0.100 0.000 0.994 114 D CA 1.658 55.690 54.000 0.054 0.000 0.830 114 D CB -0.713 40.125 40.800 0.064 0.000 0.959 114 D HN 0.487 nan 8.370 nan 0.000 0.452 115 Y N 0.337 120.682 120.300 0.075 0.000 2.242 115 Y HA -0.187 4.364 4.550 0.001 0.000 0.291 115 Y C 2.322 178.296 175.900 0.123 0.000 1.137 115 Y CA 1.445 59.583 58.100 0.064 0.000 1.181 115 Y CB -0.245 38.242 38.460 0.046 0.000 0.989 115 Y HN 0.120 nan 8.280 nan 0.000 0.527 116 W N 1.858 123.268 121.300 0.184 0.000 2.338 116 W HA -0.246 4.415 4.660 0.001 0.000 0.304 116 W C 1.427 177.924 176.519 -0.037 0.000 1.212 116 W CA 2.260 59.687 57.345 0.137 0.000 1.264 116 W CB -0.245 29.444 29.460 0.382 0.000 1.142 116 W HN 0.143 nan 8.180 nan 0.000 0.512 117 K N 0.316 120.753 120.400 0.061 0.000 2.103 117 K HA -0.047 4.273 4.320 0.001 0.000 0.204 117 K C 2.423 178.895 176.600 -0.213 0.000 1.052 117 K CA 1.500 57.715 56.287 -0.121 0.000 0.945 117 K CB -0.609 31.798 32.500 -0.155 0.000 0.722 117 K HN 0.056 nan 8.250 nan 0.000 0.443 118 A N 1.562 124.250 122.820 -0.221 0.000 2.019 118 A HA -0.104 4.217 4.320 0.001 0.000 0.219 118 A C 1.992 179.381 177.584 -0.325 0.000 1.164 118 A CA 1.268 53.156 52.037 -0.248 0.000 0.644 118 A CB -0.699 18.157 19.000 -0.239 0.000 0.805 118 A HN 0.486 nan 8.150 nan 0.000 0.449 119 I N -5.442 114.859 120.570 -0.448 0.000 3.928 119 I HA 0.316 4.487 4.170 0.001 0.000 0.335 119 I C 0.465 176.332 176.117 -0.416 0.000 1.325 119 I CA 0.227 61.276 61.300 -0.420 0.000 1.107 119 I CB -0.267 37.452 38.000 -0.470 0.000 1.014 119 I HN 0.141 nan 8.210 nan 0.000 0.400 120 N N 2.386 120.820 118.700 -0.444 0.000 2.735 120 N HA -0.204 4.537 4.740 0.001 0.000 0.248 120 N C 1.038 176.168 175.510 -0.635 0.000 1.083 120 N CA 1.065 53.862 53.050 -0.421 0.000 0.703 120 N CB -1.253 37.093 38.487 -0.234 0.000 1.005 120 N HN 0.946 nan 8.380 nan 0.000 0.550 121 G N -0.665 107.381 108.800 -1.257 0.000 2.168 121 G HA2 -0.327 3.634 3.960 0.001 0.000 0.263 121 G HA3 -0.327 3.634 3.960 0.001 0.000 0.263 121 G C -0.093 174.322 174.900 -0.808 0.000 0.977 121 G CA 0.377 44.350 45.100 -1.879 0.000 0.659 121 G HN 0.668 nan 8.290 nan 0.000 0.533 122 D N 0.150 120.256 120.400 -0.490 0.000 2.741 122 D HA 0.461 5.102 4.640 0.001 0.000 0.233 122 D C 1.799 178.011 176.300 -0.147 0.000 1.160 122 D CA -0.547 53.306 54.000 -0.245 0.000 1.003 122 D CB -0.499 40.189 40.800 -0.186 0.000 1.064 122 D HN 0.328 nan 8.370 nan 0.000 0.503 123 I N 1.350 121.858 120.570 -0.103 0.000 2.226 123 I HA -0.241 3.929 4.170 0.001 0.000 0.245 123 I C 1.985 178.106 176.117 0.007 0.000 1.100 123 I CA 0.489 61.792 61.300 0.005 0.000 1.374 123 I CB 0.079 38.119 38.000 0.067 0.000 1.057 123 I HN 0.369 nan 8.210 nan 0.000 0.413 124 I N 0.685 121.225 120.570 -0.050 0.000 2.286 124 I HA -0.196 3.975 4.170 0.001 0.000 0.248 124 I C 2.636 178.738 176.117 -0.026 0.000 1.115 124 I CA 1.734 62.989 61.300 -0.075 0.000 1.392 124 I CB -1.930 35.907 38.000 -0.272 0.000 1.065 124 I HN 0.255 nan 8.210 nan 0.000 0.418 125 G N 0.620 109.392 108.800 -0.047 0.000 2.422 125 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 125 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 125 G C 1.790 176.711 174.900 0.035 0.000 1.146 125 G CA 0.285 45.372 45.100 -0.021 0.000 0.769 125 G HN 0.200 nan 8.290 nan 0.000 0.547 126 K N -0.227 120.199 120.400 0.043 0.000 2.097 126 K HA 0.044 4.365 4.320 0.001 0.000 0.206 126 K C 2.432 179.116 176.600 0.140 0.000 1.049 126 K CA 0.452 56.793 56.287 0.090 0.000 0.933 126 K CB -0.472 32.099 32.500 0.118 0.000 0.717 126 K HN 0.222 nan 8.250 nan 0.000 0.442 127 L N 1.122 122.448 121.223 0.171 0.000 2.027 127 L HA -0.070 4.270 4.340 0.001 0.000 0.206 127 L C 2.507 179.519 176.870 0.236 0.000 1.074 127 L CA 1.398 56.366 54.840 0.213 0.000 0.745 127 L CB -0.876 41.342 42.059 0.266 0.000 0.898 127 L HN 0.158 nan 8.230 nan 0.000 0.433 128 R N -0.180 120.514 120.500 0.323 0.000 2.113 128 R HA -0.253 4.088 4.340 0.001 0.000 0.244 128 R C 2.243 178.639 176.300 0.160 0.000 1.142 128 R CA 2.154 58.434 56.100 0.299 0.000 0.953 128 R CB -0.234 30.169 30.300 0.173 0.000 0.860 128 R HN 0.539 nan 8.270 nan 0.000 0.438 129 E N 0.358 120.630 120.200 0.120 0.000 2.051 129 E HA -0.208 4.143 4.350 0.001 0.000 0.192 129 E C 2.093 178.756 176.600 0.105 0.000 0.991 129 E CA 1.362 57.818 56.400 0.094 0.000 0.799 129 E CB -0.156 29.588 29.700 0.073 0.000 0.748 129 E HN 0.443 nan 8.360 nan 0.000 0.449 130 L N 0.685 121.980 121.223 0.119 0.000 2.141 130 L HA -0.175 4.166 4.340 0.001 0.000 0.209 130 L C 2.912 179.832 176.870 0.083 0.000 1.094 130 L CA 1.337 56.255 54.840 0.130 0.000 0.763 130 L CB -0.407 41.723 42.059 0.119 0.000 0.908 130 L HN 0.312 nan 8.230 nan 0.000 0.437 131 Q N 0.260 120.094 119.800 0.058 0.000 2.046 131 Q HA -0.224 4.117 4.340 0.001 0.000 0.200 131 Q C 1.692 177.703 176.000 0.020 0.000 0.975 131 Q CA 1.816 57.629 55.803 0.017 0.000 0.836 131 Q CB 0.114 28.851 28.738 -0.001 0.000 0.896 131 Q HN 0.391 nan 8.270 nan 0.000 0.428 132 D N 0.427 120.857 120.400 0.050 0.000 2.149 132 D HA -0.175 4.465 4.640 0.001 0.000 0.198 132 D C 1.510 177.813 176.300 0.006 0.000 0.990 132 D CA 1.198 55.220 54.000 0.037 0.000 0.839 132 D CB -0.107 40.724 40.800 0.052 0.000 0.948 132 D HN 0.430 nan 8.370 nan 0.000 0.460 133 Q N -0.816 118.997 119.800 0.021 0.000 2.482 133 Q HA 0.178 4.519 4.340 0.001 0.000 0.209 133 Q C 1.265 177.127 176.000 -0.231 0.000 0.961 133 Q CA 0.609 56.402 55.803 -0.016 0.000 0.945 133 Q CB 0.430 29.264 28.738 0.160 0.000 1.012 133 Q HN 0.350 nan 8.270 nan 0.000 0.515 134 G N -0.397 108.277 108.800 -0.210 0.000 2.176 134 G HA2 -0.328 3.633 3.960 0.001 0.000 0.253 134 G HA3 -0.328 3.633 3.960 0.001 0.000 0.253 134 G C 0.433 175.059 174.900 -0.458 0.000 0.979 134 G CA 0.394 45.298 45.100 -0.326 0.000 0.641 134 G HN 0.418 nan 8.290 nan 0.000 0.530 135 Y N -0.153 119.957 120.300 -0.316 0.000 2.365 135 Y HA 0.446 4.997 4.550 0.001 0.000 0.293 135 Y C 1.708 177.349 175.900 -0.431 0.000 1.119 135 Y CA 0.926 58.667 58.100 -0.597 0.000 1.203 135 Y CB 0.383 38.344 38.460 -0.832 0.000 1.026 135 Y HN 0.196 nan 8.280 nan 0.000 0.549 136 V N 0.801 120.643 119.914 -0.119 0.000 2.555 136 V HA 0.249 4.370 4.120 0.001 0.000 0.302 136 V C -0.542 175.511 176.094 -0.068 0.000 1.038 136 V CA -1.316 60.913 62.300 -0.118 0.000 0.887 136 V CB 1.988 33.738 31.823 -0.122 0.000 0.991 136 V HN 0.053 nan 8.190 nan 0.000 0.434 137 E N 3.252 123.432 120.200 -0.034 0.000 2.145 137 E HA 0.536 4.887 4.350 0.001 0.000 0.270 137 E C -1.486 175.117 176.600 0.006 0.000 0.906 137 E CA -0.501 55.905 56.400 0.009 0.000 0.761 137 E CB 1.883 31.624 29.700 0.068 0.000 1.116 137 E HN 0.486 nan 8.360 nan 0.000 0.408 138 V N 6.729 126.613 119.914 -0.049 0.000 2.432 138 V HA 0.287 4.408 4.120 0.001 0.000 0.275 138 V C 0.587 176.738 176.094 0.095 0.000 1.043 138 V CA -0.487 61.761 62.300 -0.087 0.000 0.925 138 V CB 0.542 32.012 31.823 -0.589 0.000 0.985 138 V HN 0.577 nan 8.190 nan 0.000 0.466 139 I N 1.579 122.209 120.570 0.100 0.000 2.822 139 I HA 0.718 4.889 4.170 0.001 0.000 0.312 139 I C 0.180 176.347 176.117 0.083 0.000 1.011 139 I CA -0.252 61.071 61.300 0.038 0.000 1.105 139 I CB 2.074 40.148 38.000 0.122 0.000 1.291 139 I HN 0.519 nan 8.210 nan 0.000 0.474 140 T N 1.339 115.864 114.554 -0.048 0.000 2.893 140 T HA 0.552 4.903 4.350 0.001 0.000 0.281 140 T C -0.285 174.477 174.700 0.104 0.000 1.027 140 T CA -0.315 61.827 62.100 0.070 0.000 0.953 140 T CB 1.394 70.230 68.868 -0.053 0.000 1.434 140 T HN 0.776 nan 8.240 nan 0.000 0.597 141 S N -1.158 114.601 115.700 0.099 0.000 2.625 141 S HA 0.690 5.161 4.470 0.001 0.000 0.271 141 S C -1.020 173.571 174.600 -0.014 0.000 1.161 141 S CA -0.259 57.991 58.200 0.083 0.000 0.820 141 S CB 1.082 64.400 63.200 0.197 0.000 1.137 141 S HN 1.056 nan 8.310 nan 0.000 0.470 142 A N 1.219 123.985 122.820 -0.090 0.000 2.561 142 A HA 0.495 4.815 4.320 0.001 0.000 0.234 142 A C 1.551 179.104 177.584 -0.051 0.000 1.055 142 A CA 0.632 52.579 52.037 -0.150 0.000 0.756 142 A CB -0.568 18.301 19.000 -0.218 0.000 0.986 142 A HN 1.409 nan 8.150 nan 0.000 0.505 143 A N 2.051 124.807 122.820 -0.106 0.000 1.903 143 A HA -0.137 4.184 4.320 0.001 0.000 0.219 143 A C 1.792 179.505 177.584 0.214 0.000 1.191 143 A CA 2.637 54.641 52.037 -0.054 0.000 0.638 143 A CB -0.887 17.861 19.000 -0.420 0.000 0.823 143 A HN 1.761 nan 8.150 nan 0.000 0.451 144 T N -6.597 108.053 114.554 0.159 0.000 3.339 144 T HA 0.342 4.693 4.350 0.001 0.000 0.292 144 T C 0.239 175.055 174.700 0.194 0.000 1.012 144 T CA 0.610 62.858 62.100 0.246 0.000 0.937 144 T CB -0.349 68.654 68.868 0.224 0.000 1.164 144 T HN 0.631 nan 8.240 nan 0.000 0.509 145 H N 0.137 119.179 119.070 -0.047 0.000 2.903 145 H HA -0.147 4.410 4.556 0.001 0.000 0.285 145 H C 0.664 175.928 175.328 -0.107 0.000 1.231 145 H CA 0.349 56.314 56.048 -0.139 0.000 1.135 145 H CB -1.145 28.442 29.762 -0.292 0.000 1.328 145 H HN 0.775 nan 8.280 nan 0.000 0.388 146 G N 0.571 109.310 108.800 -0.101 0.000 2.484 146 G HA2 0.068 4.028 3.960 0.001 0.000 0.235 146 G HA3 0.068 4.028 3.960 0.001 0.000 0.235 146 G C -0.369 174.419 174.900 -0.188 0.000 1.282 146 G CA -0.213 44.831 45.100 -0.093 0.000 0.857 146 G HN 0.425 nan 8.290 nan 0.000 0.571 147 Y N 3.470 123.648 120.300 -0.203 0.000 2.568 147 Y HA 0.174 4.724 4.550 0.001 0.000 0.338 147 Y C 1.802 177.508 175.900 -0.323 0.000 1.245 147 Y CA -0.444 57.456 58.100 -0.333 0.000 1.667 147 Y CB -0.201 38.113 38.460 -0.244 0.000 1.568 147 Y HN 0.409 nan 8.280 nan 0.000 0.471 148 L N 4.777 125.651 121.223 -0.582 0.000 2.030 148 L HA -0.273 4.068 4.340 0.001 0.000 0.222 148 L C -0.366 176.192 176.870 -0.520 0.000 1.082 148 L CA 1.657 56.182 54.840 -0.524 0.000 0.785 148 L CB -1.845 39.855 42.059 -0.597 0.000 0.895 148 L HN 0.426 nan 8.230 nan 0.000 0.439 149 P HA -0.151 nan 4.420 nan 0.000 0.219 149 P C 1.591 178.605 177.300 -0.477 0.000 1.146 149 P CA 1.392 64.125 63.100 -0.612 0.000 0.808 149 P CB 0.050 31.304 31.700 -0.744 0.000 0.779 150 L N -2.382 118.623 121.223 -0.364 0.000 2.640 150 L HA 0.157 4.498 4.340 0.001 0.000 0.230 150 L C 0.933 177.668 176.870 -0.224 0.000 1.123 150 L CA -0.328 54.241 54.840 -0.451 0.000 0.900 150 L CB -0.291 41.251 42.059 -0.861 0.000 1.146 150 L HN -0.053 nan 8.230 nan 0.000 0.484 151 L N -0.149 121.018 121.223 -0.093 0.000 2.482 151 L HA 0.082 4.423 4.340 0.001 0.000 0.273 151 L C 1.618 178.452 176.870 -0.060 0.000 1.228 151 L CA 0.241 55.119 54.840 0.064 0.000 0.827 151 L CB 0.422 42.458 42.059 -0.037 0.000 1.099 151 L HN 0.089 nan 8.230 nan 0.000 0.494 152 G N 1.340 110.121 108.800 -0.031 0.000 2.603 152 G HA2 0.042 4.003 3.960 0.001 0.000 0.214 152 G HA3 0.042 4.003 3.960 0.001 0.000 0.214 152 G C 0.668 175.450 174.900 -0.198 0.000 1.140 152 G CA -0.037 44.846 45.100 -0.361 0.000 0.800 152 G HN 0.407 nan 8.290 nan 0.000 0.533 153 R N 0.078 120.528 120.500 -0.084 0.000 2.744 153 R HA 0.267 4.607 4.340 0.001 0.000 0.279 153 R C -0.386 175.896 176.300 -0.029 0.000 0.977 153 R CA -0.720 55.359 56.100 -0.035 0.000 0.906 153 R CB 1.521 31.835 30.300 0.022 0.000 1.197 153 R HN -0.106 nan 8.270 nan 0.000 0.463 154 D N 1.536 121.955 120.400 0.032 0.000 2.149 154 D HA -0.155 4.486 4.640 0.001 0.000 0.198 154 D C 1.119 177.464 176.300 0.074 0.000 0.990 154 D CA 1.593 55.662 54.000 0.116 0.000 0.839 154 D CB 0.382 41.338 40.800 0.260 0.000 0.948 154 D HN 0.519 nan 8.370 nan 0.000 0.460 155 E N 0.625 120.860 120.200 0.059 0.000 2.110 155 E HA -0.076 4.275 4.350 0.001 0.000 0.193 155 E C 2.037 178.588 176.600 -0.082 0.000 0.988 155 E CA 1.163 57.578 56.400 0.025 0.000 0.804 155 E CB -0.266 29.505 29.700 0.119 0.000 0.745 155 E HN 0.271 nan 8.360 nan 0.000 0.458 156 A N 0.557 123.377 122.820 -0.001 0.000 1.873 156 A HA -0.126 4.195 4.320 0.001 0.000 0.215 156 A C 2.229 179.713 177.584 -0.166 0.000 1.186 156 A CA 1.077 53.109 52.037 -0.008 0.000 0.616 156 A CB -0.589 18.448 19.000 0.062 0.000 0.823 156 A HN 0.190 nan 8.150 nan 0.000 0.442 157 I N -0.989 119.432 120.570 -0.248 0.000 2.264 157 I HA -0.253 3.918 4.170 0.001 0.000 0.248 157 I C 2.722 178.625 176.117 -0.357 0.000 1.111 157 I CA 1.721 62.764 61.300 -0.428 0.000 1.382 157 I CB -0.257 37.257 38.000 -0.810 0.000 1.060 157 I HN 0.363 nan 8.210 nan 0.000 0.418 158 R N 0.997 121.378 120.500 -0.197 0.000 2.115 158 R HA -0.072 4.269 4.340 0.001 0.000 0.226 158 R C 2.346 178.514 176.300 -0.220 0.000 1.100 158 R CA 1.194 57.278 56.100 -0.027 0.000 0.980 158 R CB -0.116 30.293 30.300 0.182 0.000 0.875 158 R HN 0.321 nan 8.270 nan 0.000 0.445 159 A N 0.627 123.236 122.820 -0.352 0.000 1.930 159 A HA -0.136 4.184 4.320 0.001 0.000 0.217 159 A C 1.977 179.335 177.584 -0.377 0.000 1.175 159 A CA 0.926 52.682 52.037 -0.469 0.000 0.627 159 A CB -0.288 18.178 19.000 -0.889 0.000 0.815 159 A HN 0.354 nan 8.150 nan 0.000 0.443 160 Q N -0.457 119.145 119.800 -0.329 0.000 2.084 160 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 160 Q C 2.102 177.877 176.000 -0.374 0.000 0.978 160 Q CA 1.278 56.895 55.803 -0.310 0.000 0.844 160 Q CB -0.315 28.267 28.738 -0.261 0.000 0.898 160 Q HN 0.639 nan 8.270 nan 0.000 0.426 161 I N 0.386 120.673 120.570 -0.471 0.000 2.286 161 I HA -0.138 4.032 4.170 0.001 0.000 0.245 161 I C 2.375 178.006 176.117 -0.810 0.000 1.104 161 I CA 1.039 61.971 61.300 -0.612 0.000 1.397 161 I CB -1.663 35.914 38.000 -0.705 0.000 1.072 161 I HN 0.002 nan 8.210 nan 0.000 0.417 162 A N 1.241 123.504 122.820 -0.929 0.000 1.933 162 A HA -0.191 4.130 4.320 0.001 0.000 0.218 162 A C 2.112 179.490 177.584 -0.343 0.000 1.175 162 A CA 1.657 53.281 52.037 -0.689 0.000 0.628 162 A CB -0.702 18.126 19.000 -0.287 0.000 0.814 162 A HN 0.463 nan 8.150 nan 0.000 0.444 163 N N -0.213 118.280 118.700 -0.345 0.000 2.354 163 N HA -0.087 4.654 4.740 0.001 0.000 0.179 163 N C 1.866 177.250 175.510 -0.210 0.000 1.021 163 N CA 1.060 53.925 53.050 -0.308 0.000 0.887 163 N CB -0.312 37.855 38.487 -0.533 0.000 0.974 163 N HN 0.495 nan 8.380 nan 0.000 0.437 164 G N 1.324 109.999 108.800 -0.209 0.000 2.421 164 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 164 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 164 G C 1.737 176.651 174.900 0.023 0.000 1.171 164 G CA 0.632 45.700 45.100 -0.054 0.000 0.775 164 G HN 0.130 nan 8.290 nan 0.000 0.543 165 V N 1.515 121.378 119.914 -0.085 0.000 2.295 165 V HA -0.136 3.985 4.120 0.001 0.000 0.246 165 V C 3.317 179.482 176.094 0.118 0.000 1.049 165 V CA 2.165 64.465 62.300 -0.001 0.000 1.024 165 V CB -0.858 30.935 31.823 -0.049 0.000 0.648 165 V HN 0.485 nan 8.190 nan 0.000 0.447 166 A N -0.613 122.244 122.820 0.062 0.000 1.929 166 A HA -0.175 4.146 4.320 0.001 0.000 0.216 166 A C 2.385 180.036 177.584 0.112 0.000 1.176 166 A CA 2.235 54.322 52.037 0.083 0.000 0.628 166 A CB -0.865 18.159 19.000 0.039 0.000 0.816 166 A HN 0.493 nan 8.150 nan 0.000 0.444 167 T N -1.492 113.151 114.554 0.149 0.000 2.746 167 T HA -0.158 4.193 4.350 0.001 0.000 0.267 167 T C 1.757 176.624 174.700 0.279 0.000 1.039 167 T CA 1.614 63.840 62.100 0.210 0.000 1.142 167 T CB -0.445 68.646 68.868 0.371 0.000 0.866 167 T HN 0.584 nan 8.240 nan 0.000 0.444 168 Y N 1.846 122.289 120.300 0.238 0.000 2.097 168 Y HA -0.207 4.344 4.550 0.001 0.000 0.282 168 Y C 2.615 178.698 175.900 0.306 0.000 1.152 168 Y CA 2.093 60.416 58.100 0.372 0.000 1.136 168 Y CB -0.190 38.451 38.460 0.302 0.000 0.975 168 Y HN 0.255 nan 8.280 nan 0.000 0.498 169 E N 0.489 120.948 120.200 0.432 0.000 2.085 169 E HA -0.308 4.042 4.350 0.001 0.000 0.194 169 E C 2.299 178.930 176.600 0.052 0.000 0.994 169 E CA 1.607 58.166 56.400 0.266 0.000 0.801 169 E CB -0.289 29.551 29.700 0.233 0.000 0.743 169 E HN 0.525 nan 8.360 nan 0.000 0.453 170 K N -0.416 119.960 120.400 -0.039 0.000 2.103 170 K HA -0.210 4.111 4.320 0.001 0.000 0.207 170 K C 1.993 178.389 176.600 -0.340 0.000 1.048 170 K CA 1.639 57.812 56.287 -0.190 0.000 0.930 170 K CB -0.102 32.241 32.500 -0.262 0.000 0.716 170 K HN 0.313 nan 8.250 nan 0.000 0.444 171 H N -1.368 117.539 119.070 -0.271 0.000 2.415 171 H HA -0.007 4.550 4.556 0.001 0.000 0.297 171 H C 1.221 176.096 175.328 -0.756 0.000 1.048 171 H CA 1.183 56.859 56.048 -0.621 0.000 1.365 171 H CB 0.139 29.277 29.762 -1.040 0.000 1.421 171 H HN 0.241 nan 8.280 nan 0.000 0.533 172 F N -0.852 119.011 119.950 -0.145 0.000 2.706 172 F HA 0.276 4.804 4.527 0.002 0.000 0.308 172 F C 1.669 177.422 175.800 -0.079 0.000 1.095 172 F CA 0.352 58.228 58.000 -0.207 0.000 1.244 172 F CB 0.966 39.626 39.000 -0.567 0.000 1.063 172 F HN 0.170 nan 8.300 nan 0.000 0.582 173 G N 1.735 110.576 108.800 0.068 0.000 2.143 173 G HA2 -0.296 3.664 3.960 0.001 0.000 0.248 173 G HA3 -0.296 3.664 3.960 0.001 0.000 0.248 173 G C 0.038 175.009 174.900 0.118 0.000 0.991 173 G CA 0.676 45.820 45.100 0.073 0.000 0.689 173 G HN 0.392 nan 8.290 nan 0.000 0.522 174 M N -3.718 115.995 119.600 0.188 0.000 3.084 174 M HA 0.679 5.160 4.480 0.001 0.000 0.273 174 M C -0.889 175.603 176.300 0.320 0.000 1.242 174 M CA -1.334 54.090 55.300 0.206 0.000 0.819 174 M CB 0.820 33.532 32.600 0.186 0.000 1.625 174 M HN -0.168 nan 8.290 nan 0.000 0.493 175 K N 1.474 122.017 120.400 0.237 0.000 2.154 175 K HA 0.597 4.918 4.320 0.001 0.000 0.264 175 K C -2.549 174.110 176.600 0.098 0.000 1.008 175 K CA -1.280 55.123 56.287 0.193 0.000 0.937 175 K CB 1.031 33.593 32.500 0.103 0.000 1.002 175 K HN 0.449 nan 8.250 nan 0.000 0.469 176 P HA 0.272 nan 4.420 nan 0.000 0.278 176 P C -0.374 176.775 177.300 -0.251 0.000 1.258 176 P CA -0.377 62.375 63.100 -0.580 0.000 0.811 176 P CB 1.083 32.091 31.700 -1.153 0.000 1.063 177 K N -0.392 119.884 120.400 -0.207 0.000 2.370 177 K HA 0.276 4.597 4.320 0.001 0.000 0.194 177 K C 1.083 177.447 176.600 -0.393 0.000 1.070 177 K CA 0.175 56.378 56.287 -0.140 0.000 0.998 177 K CB 0.486 33.011 32.500 0.041 0.000 0.911 177 K HN 0.586 nan 8.250 nan 0.000 0.533 178 G N 0.592 109.045 108.800 -0.579 0.000 2.537 178 G HA2 0.668 4.629 3.960 0.001 0.000 0.308 178 G HA3 0.668 4.629 3.960 0.001 0.000 0.308 178 G C -1.603 173.050 174.900 -0.413 0.000 1.237 178 G CA -0.476 43.997 45.100 -1.046 0.000 0.968 178 G HN 0.059 nan 8.290 nan 0.000 0.481 179 I N -0.081 120.347 120.570 -0.237 0.000 2.722 179 I HA 0.411 4.582 4.170 0.001 0.000 0.295 179 I C -1.344 174.878 176.117 0.176 0.000 1.161 179 I CA -1.229 60.043 61.300 -0.045 0.000 1.032 179 I CB 2.257 40.177 38.000 -0.135 0.000 1.244 179 I HN 0.664 nan 8.210 nan 0.000 0.421 180 W N 9.218 130.538 121.300 0.033 0.000 2.357 180 W HA 0.343 5.004 4.660 0.001 0.000 0.317 180 W C -1.318 175.123 176.519 -0.130 0.000 1.101 180 W CA -0.703 56.651 57.345 0.015 0.000 1.380 180 W CB 0.869 30.280 29.460 -0.081 0.000 1.266 180 W HN 0.370 nan 8.180 nan 0.000 0.419 181 L N 9.458 130.353 121.223 -0.546 0.000 2.534 181 L HA 0.035 4.376 4.340 0.001 0.000 0.271 181 L C -1.445 174.966 176.870 -0.765 0.000 1.178 181 L CA -1.471 53.007 54.840 -0.602 0.000 0.907 181 L CB -0.062 41.623 42.059 -0.623 0.000 1.164 181 L HN 0.165 nan 8.230 nan 0.000 0.482 182 P HA -0.163 nan 4.420 nan 0.000 0.260 182 P C 0.093 177.030 177.300 -0.605 0.000 1.147 182 P CA 0.676 63.304 63.100 -0.787 0.000 0.758 182 P CB 0.188 31.248 31.700 -1.067 0.000 0.744 183 E N 0.941 121.017 120.200 -0.208 0.000 2.722 183 E HA -0.266 4.085 4.350 0.001 0.000 0.265 183 E C 0.359 176.875 176.600 -0.139 0.000 1.081 183 E CA 0.887 57.373 56.400 0.143 0.000 0.781 183 E CB -2.449 27.369 29.700 0.196 0.000 1.372 183 E HN 0.661 nan 8.360 nan 0.000 0.423 184 C N -1.639 117.218 119.300 -0.738 0.000 4.145 184 C HA -0.222 4.239 4.460 0.001 0.000 0.291 184 C C 1.359 176.184 174.990 -0.275 0.000 1.499 184 C CA 0.512 59.154 59.018 -0.626 0.000 2.043 184 C CB -2.421 24.974 27.740 -0.575 0.000 1.306 184 C HN 0.792 nan 8.230 nan 0.000 0.794 185 A N -0.052 122.541 122.820 -0.377 0.000 2.505 185 A HA 0.452 4.773 4.320 0.001 0.000 0.271 185 A C -0.529 176.866 177.584 -0.315 0.000 1.112 185 A CA 0.648 52.447 52.037 -0.396 0.000 0.781 185 A CB -0.033 18.304 19.000 -1.105 0.000 1.059 185 A HN 1.021 nan 8.150 nan 0.000 0.508 186 Y N 2.407 122.583 120.300 -0.206 0.000 2.477 186 Y HA 0.680 5.231 4.550 0.001 0.000 0.347 186 Y C -0.217 175.584 175.900 -0.165 0.000 0.981 186 Y CA -0.900 57.084 58.100 -0.193 0.000 1.033 186 Y CB 1.620 40.058 38.460 -0.037 0.000 1.245 186 Y HN 0.702 nan 8.280 nan 0.000 0.455 187 R N 6.191 125.917 120.500 -1.290 0.000 2.564 187 R HA 0.415 4.756 4.340 0.001 0.000 0.284 187 R C -2.918 172.782 176.300 -1.000 0.000 1.031 187 R CA -2.016 53.481 56.100 -1.006 0.000 0.904 187 R CB 2.462 32.154 30.300 -1.012 0.000 1.199 187 R HN 0.440 nan 8.270 nan 0.000 0.443 188 P HA 0.105 nan 4.420 nan 0.000 0.274 188 P C -0.581 176.886 177.300 0.278 0.000 1.256 188 P CA -0.376 62.815 63.100 0.152 0.000 0.795 188 P CB 0.580 32.487 31.700 0.346 0.000 1.038 189 A N 0.212 123.161 122.820 0.215 0.000 2.520 189 A HA 0.490 4.811 4.320 0.001 0.000 0.235 189 A C 0.816 178.511 177.584 0.185 0.000 1.065 189 A CA 1.193 53.350 52.037 0.200 0.000 0.764 189 A CB -1.227 17.828 19.000 0.091 0.000 1.002 189 A HN 0.864 nan 8.150 nan 0.000 0.502 190 G N 0.027 108.876 108.800 0.081 0.000 2.323 190 G HA2 0.427 4.387 3.960 0.001 0.000 0.291 190 G HA3 0.427 4.387 3.960 0.001 0.000 0.291 190 G C -1.388 173.172 174.900 -0.566 0.000 1.278 190 G CA -0.271 44.616 45.100 -0.356 0.000 0.860 190 G HN 0.856 nan 8.290 nan 0.000 0.504 191 E N -0.424 119.291 120.200 -0.807 0.000 2.171 191 E HA 0.563 4.914 4.350 0.001 0.000 0.271 191 E C -1.552 174.638 176.600 -0.683 0.000 0.916 191 E CA -0.751 55.334 56.400 -0.524 0.000 0.774 191 E CB 1.493 31.025 29.700 -0.281 0.000 1.128 191 E HN 0.409 nan 8.360 nan 0.000 0.403 192 W N 2.357 123.656 121.300 -0.001 0.000 2.915 192 W HA 0.287 4.948 4.660 0.001 0.000 0.337 192 W C -0.097 176.432 176.519 0.016 0.000 1.102 192 W CA -0.857 56.497 57.345 0.015 0.000 1.224 192 W CB 1.211 30.667 29.460 -0.007 0.000 1.416 192 W HN 0.429 nan 8.180 nan 0.000 0.503 193 E N 3.166 123.575 120.200 0.349 0.000 2.313 193 E HA 0.396 4.747 4.350 0.001 0.000 0.276 193 E C -0.881 175.839 176.600 0.201 0.000 1.031 193 E CA -0.187 56.382 56.400 0.281 0.000 0.857 193 E CB 0.749 30.671 29.700 0.370 0.000 1.040 193 E HN 0.461 nan 8.360 nan 0.000 0.408 194 L N 4.883 126.107 121.223 0.003 0.000 2.332 194 L HA 0.485 4.826 4.340 0.001 0.000 0.269 194 L C -2.134 174.448 176.870 -0.480 0.000 1.016 194 L CA -2.645 51.996 54.840 -0.332 0.000 0.809 194 L CB 1.535 43.420 42.059 -0.290 0.000 1.280 194 L HN 0.500 nan 8.230 nan 0.000 0.447 195 P HA 0.037 nan 4.420 nan 0.000 0.266 195 P C 0.398 177.692 177.300 -0.011 0.000 1.195 195 P CA 0.598 63.303 63.100 -0.658 0.000 0.768 195 P CB 0.471 31.524 31.700 -1.078 0.000 0.838 196 G N 1.877 110.772 108.800 0.158 0.000 2.221 196 G HA2 -0.042 3.919 3.960 0.001 0.000 0.265 196 G HA3 -0.042 3.919 3.960 0.001 0.000 0.265 196 G C 0.838 175.831 174.900 0.155 0.000 1.041 196 G CA 0.523 45.733 45.100 0.182 0.000 0.807 196 G HN 1.007 nan 8.290 nan 0.000 0.502 197 G N -0.553 108.341 108.800 0.156 0.000 3.642 197 G HA2 -0.161 3.800 3.960 0.001 0.000 0.205 197 G HA3 -0.161 3.800 3.960 0.001 0.000 0.205 197 G C 0.619 175.569 174.900 0.082 0.000 1.526 197 G CA 0.767 45.939 45.100 0.120 0.000 1.097 197 G HN 1.563 nan 8.290 nan 0.000 0.596 198 R N 1.924 122.450 120.500 0.043 0.000 2.503 198 R HA 0.222 4.563 4.340 0.001 0.000 0.271 198 R C -0.152 176.142 176.300 -0.010 0.000 0.960 198 R CA 1.241 57.333 56.100 -0.013 0.000 1.104 198 R CB 0.077 30.320 30.300 -0.096 0.000 0.879 198 R HN 0.462 nan 8.270 nan 0.000 0.420 199 K N 3.410 123.805 120.400 -0.008 0.000 2.397 199 K HA 0.354 4.675 4.320 0.001 0.000 0.253 199 K C -1.241 175.357 176.600 -0.004 0.000 0.932 199 K CA -0.921 55.374 56.287 0.013 0.000 0.795 199 K CB 2.120 34.632 32.500 0.020 0.000 1.159 199 K HN 0.439 nan 8.250 nan 0.000 0.424 200 V N -0.457 119.472 119.914 0.026 0.000 2.715 200 V HA 0.550 4.671 4.120 0.001 0.000 0.310 200 V C -0.814 175.314 176.094 0.057 0.000 1.054 200 V CA -1.097 61.221 62.300 0.030 0.000 0.928 200 V CB 1.575 33.412 31.823 0.024 0.000 1.007 200 V HN 0.614 nan 8.190 nan 0.000 0.437 201 K N 3.431 123.849 120.400 0.030 0.000 2.211 201 K HA 0.721 5.042 4.320 0.001 0.000 0.275 201 K C -0.531 176.117 176.600 0.081 0.000 1.024 201 K CA -0.523 55.778 56.287 0.022 0.000 0.887 201 K CB 1.873 34.366 32.500 -0.012 0.000 1.084 201 K HN 0.772 nan 8.250 nan 0.000 0.463 202 R N 2.197 122.783 120.500 0.142 0.000 2.626 202 R HA 0.056 4.396 4.340 0.001 0.000 0.274 202 R C -0.851 175.552 176.300 0.171 0.000 1.031 202 R CA -0.653 55.565 56.100 0.198 0.000 0.898 202 R CB 1.689 32.171 30.300 0.305 0.000 1.222 202 R HN 0.779 nan 8.270 nan 0.000 0.455 203 Q N 1.980 121.823 119.800 0.071 0.000 2.492 203 Q HA 0.279 4.619 4.340 0.001 0.000 0.238 203 Q C 0.200 176.250 176.000 0.084 0.000 1.045 203 Q CA -0.284 55.516 55.803 -0.004 0.000 0.934 203 Q CB 0.577 29.189 28.738 -0.209 0.000 1.276 203 Q HN 0.706 nan 8.270 nan 0.000 0.521 204 G N 1.276 110.114 108.800 0.062 0.000 2.559 204 G HA2 0.022 3.983 3.960 0.001 0.000 0.235 204 G HA3 0.022 3.983 3.960 0.001 0.000 0.235 204 G C 0.798 175.745 174.900 0.079 0.000 1.266 204 G CA -0.642 44.488 45.100 0.051 0.000 0.847 204 G HN 0.706 nan 8.290 nan 0.000 0.583 205 I N 1.169 121.699 120.570 -0.067 0.000 2.194 205 I HA -0.182 3.989 4.170 0.001 0.000 0.246 205 I C 2.879 179.056 176.117 0.100 0.000 1.093 205 I CA 1.750 63.048 61.300 -0.004 0.000 1.355 205 I CB -0.802 36.985 38.000 -0.355 0.000 1.046 205 I HN 0.796 nan 8.210 nan 0.000 0.413 206 E N 1.617 121.918 120.200 0.168 0.000 2.171 206 E HA -0.256 4.095 4.350 0.001 0.000 0.197 206 E C 1.652 178.310 176.600 0.096 0.000 0.997 206 E CA 1.270 57.775 56.400 0.175 0.000 0.810 206 E CB -0.494 29.372 29.700 0.277 0.000 0.738 206 E HN 0.449 nan 8.360 nan 0.000 0.467 207 K N -0.090 120.330 120.400 0.034 0.000 2.167 207 K HA 0.015 4.336 4.320 0.001 0.000 0.203 207 K C 2.119 178.643 176.600 -0.127 0.000 1.052 207 K CA 0.646 56.880 56.287 -0.089 0.000 0.956 207 K CB -0.341 32.037 32.500 -0.203 0.000 0.735 207 K HN 0.185 nan 8.250 nan 0.000 0.451 208 F N 1.243 121.180 119.950 -0.021 0.000 2.134 208 F HA -0.181 4.347 4.527 0.001 0.000 0.299 208 F C 2.084 177.950 175.800 0.111 0.000 1.097 208 F CA 0.689 58.705 58.000 0.027 0.000 1.264 208 F CB -0.452 38.526 39.000 -0.037 0.000 1.001 208 F HN -0.114 nan 8.300 nan 0.000 0.479 209 L N 0.304 121.649 121.223 0.203 0.000 2.017 209 L HA -0.201 4.140 4.340 0.001 0.000 0.208 209 L C 2.251 179.199 176.870 0.130 0.000 1.073 209 L CA 1.600 56.519 54.840 0.132 0.000 0.745 209 L CB -1.453 40.619 42.059 0.021 0.000 0.894 209 L HN 0.221 nan 8.230 nan 0.000 0.432 210 E N -0.382 119.858 120.200 0.067 0.000 2.118 210 E HA -0.247 4.104 4.350 0.001 0.000 0.195 210 E C 1.967 178.539 176.600 -0.046 0.000 0.992 210 E CA 1.220 57.630 56.400 0.017 0.000 0.804 210 E CB -0.166 29.529 29.700 -0.010 0.000 0.741 210 E HN 0.590 nan 8.360 nan 0.000 0.458 211 E N -0.068 120.061 120.200 -0.118 0.000 2.171 211 E HA -0.182 4.169 4.350 0.001 0.000 0.197 211 E C 1.066 177.322 176.600 -0.572 0.000 0.997 211 E CA 1.028 57.196 56.400 -0.387 0.000 0.810 211 E CB -0.117 29.251 29.700 -0.553 0.000 0.738 211 E HN 0.281 nan 8.360 nan 0.000 0.467 212 F N -0.868 119.066 119.950 -0.028 0.000 2.647 212 F HA 0.321 4.848 4.527 0.001 0.000 0.300 212 F C 1.390 177.169 175.800 -0.034 0.000 1.106 212 F CA 0.208 58.189 58.000 -0.033 0.000 1.313 212 F CB 0.997 39.971 39.000 -0.044 0.000 1.007 212 F HN 0.003 nan 8.300 nan 0.000 0.536 213 G N 0.947 109.787 108.800 0.067 0.000 2.148 213 G HA2 -0.311 3.649 3.960 0.001 0.000 0.254 213 G HA3 -0.311 3.649 3.960 0.001 0.000 0.254 213 G C 0.181 175.105 174.900 0.039 0.000 0.981 213 G CA -0.233 44.894 45.100 0.045 0.000 0.670 213 G HN 0.297 nan 8.290 nan 0.000 0.528 214 L N -0.047 121.202 121.223 0.042 0.000 2.410 214 L HA 0.389 4.730 4.340 0.001 0.000 0.273 214 L C 1.841 178.711 176.870 0.001 0.000 1.152 214 L CA -0.830 53.997 54.840 -0.022 0.000 0.855 214 L CB 0.665 42.693 42.059 -0.051 0.000 1.129 214 L HN -0.023 nan 8.230 nan 0.000 0.463 215 R N 2.647 123.134 120.500 -0.023 0.000 2.189 215 R HA 0.130 4.470 4.340 0.001 0.000 0.203 215 R C -0.422 175.949 176.300 0.117 0.000 1.012 215 R CA 0.551 56.703 56.100 0.085 0.000 1.015 215 R CB 0.098 30.506 30.300 0.180 0.000 0.938 215 R HN 0.704 nan 8.270 nan 0.000 0.472 216 Y N -2.045 118.242 120.300 -0.023 0.000 2.689 216 Y HA 0.591 5.142 4.550 0.001 0.000 0.333 216 Y C -0.716 175.142 175.900 -0.069 0.000 1.208 216 Y CA -2.478 55.536 58.100 -0.144 0.000 1.055 216 Y CB 0.809 39.156 38.460 -0.188 0.000 1.304 216 Y HN -0.097 nan 8.280 nan 0.000 0.455 217 F N -0.915 118.879 119.950 -0.260 0.000 3.215 217 F HA 0.883 5.411 4.527 0.001 0.000 0.326 217 F C -2.402 172.976 175.800 -0.704 0.000 1.189 217 F CA -2.029 55.715 58.000 -0.428 0.000 0.905 217 F CB 1.256 40.088 39.000 -0.280 0.000 1.485 217 F HN 0.355 nan 8.300 nan 0.000 0.508 218 F N 1.228 121.109 119.950 -0.114 0.000 2.576 218 F HA 0.760 5.288 4.527 0.001 0.000 0.313 218 F C -0.299 175.302 175.800 -0.330 0.000 1.078 218 F CA -1.098 56.742 58.000 -0.267 0.000 0.921 218 F CB 2.215 41.047 39.000 -0.280 0.000 1.232 218 F HN 0.566 nan 8.300 nan 0.000 0.459 219 V N -1.418 118.429 119.914 -0.110 0.000 3.078 219 V HA 0.692 4.813 4.120 0.001 0.000 0.311 219 V C -0.658 175.446 176.094 0.017 0.000 1.138 219 V CA -1.129 61.115 62.300 -0.092 0.000 1.007 219 V CB 1.746 33.464 31.823 -0.174 0.000 1.045 219 V HN 0.665 nan 8.190 nan 0.000 0.432 220 E N 1.681 121.934 120.200 0.089 0.000 2.442 220 E HA 0.218 4.568 4.350 0.001 0.000 0.262 220 E C 1.207 177.859 176.600 0.087 0.000 1.004 220 E CA 1.072 57.570 56.400 0.163 0.000 0.928 220 E CB 1.304 31.121 29.700 0.194 0.000 0.937 220 E HN 0.822 nan 8.360 nan 0.000 0.446 221 S N 4.419 120.181 115.700 0.103 0.000 2.383 221 S HA -0.250 4.221 4.470 0.001 0.000 0.229 221 S C 1.774 176.389 174.600 0.025 0.000 1.030 221 S CA 1.300 59.537 58.200 0.061 0.000 1.002 221 S CB -0.278 62.972 63.200 0.082 0.000 0.829 221 S HN 0.628 nan 8.310 nan 0.000 0.467 222 R N 1.135 121.659 120.500 0.039 0.000 2.113 222 R HA -0.173 4.168 4.340 0.001 0.000 0.244 222 R C 1.809 178.104 176.300 -0.008 0.000 1.142 222 R CA 1.581 57.694 56.100 0.022 0.000 0.953 222 R CB -0.599 29.724 30.300 0.039 0.000 0.860 222 R HN 0.310 nan 8.270 nan 0.000 0.438 223 L N 0.385 121.598 121.223 -0.016 0.000 2.349 223 L HA -0.137 4.203 4.340 0.001 0.000 0.220 223 L C 1.941 178.736 176.870 -0.124 0.000 1.130 223 L CA 1.391 56.198 54.840 -0.055 0.000 0.791 223 L CB -0.062 41.954 42.059 -0.071 0.000 0.918 223 L HN 0.355 nan 8.230 nan 0.000 0.444 224 I N -1.315 119.171 120.570 -0.140 0.000 3.366 224 I HA -0.020 4.151 4.170 0.001 0.000 0.267 224 I C 1.508 177.532 176.117 -0.155 0.000 1.149 224 I CA 0.509 61.666 61.300 -0.239 0.000 1.436 224 I CB -0.034 37.786 38.000 -0.300 0.000 1.379 224 I HN 0.226 nan 8.210 nan 0.000 0.460 225 D N 0.619 120.976 120.400 -0.072 0.000 2.349 225 D HA -0.097 4.544 4.640 0.001 0.000 0.215 225 D C 0.595 176.890 176.300 -0.008 0.000 1.016 225 D CA 0.305 54.291 54.000 -0.023 0.000 0.870 225 D CB -0.194 40.615 40.800 0.016 0.000 0.917 225 D HN 0.333 nan 8.370 nan 0.000 0.524 226 E N -1.298 118.892 120.200 -0.016 0.000 3.370 226 E HA -0.161 4.189 4.350 0.001 0.000 0.291 226 E C 0.789 177.396 176.600 0.012 0.000 0.916 226 E CA 0.554 56.954 56.400 -0.001 0.000 0.981 226 E CB -1.542 28.158 29.700 -0.001 0.000 1.498 226 E HN 0.543 nan 8.360 nan 0.000 0.452 227 G N 0.564 109.374 108.800 0.017 0.000 2.563 227 G HA2 0.478 4.438 3.960 0.001 0.000 0.283 227 G HA3 0.478 4.438 3.960 0.001 0.000 0.283 227 G C -2.335 172.579 174.900 0.024 0.000 1.309 227 G CA -0.927 44.186 45.100 0.022 0.000 1.022 227 G HN -0.100 nan 8.290 nan 0.000 0.501 228 P HA 0.489 nan 4.420 nan 0.000 0.276 228 P C -0.541 176.777 177.300 0.031 0.000 1.252 228 P CA -0.118 62.997 63.100 0.024 0.000 0.802 228 P CB 1.334 33.045 31.700 0.019 0.000 1.035 229 A N 0.399 123.237 122.820 0.030 0.000 2.479 229 A HA 0.642 4.963 4.320 0.001 0.000 0.296 229 A C -0.248 177.347 177.584 0.019 0.000 1.121 229 A CA -0.523 51.532 52.037 0.030 0.000 0.743 229 A CB 1.115 20.140 19.000 0.042 0.000 1.323 229 A HN 0.397 nan 8.150 nan 0.000 0.415 230 S N -0.248 115.456 115.700 0.006 0.000 2.601 230 S HA 0.176 4.646 4.470 0.001 0.000 0.271 230 S C 1.404 176.002 174.600 -0.004 0.000 1.305 230 S CA -0.108 58.091 58.200 -0.002 0.000 1.022 230 S CB 0.285 63.475 63.200 -0.016 0.000 0.940 230 S HN 0.805 nan 8.310 nan 0.000 0.525 231 N N 2.396 121.095 118.700 -0.002 0.000 2.396 231 N HA -0.076 4.664 4.740 0.001 0.000 0.180 231 N C 0.138 175.644 175.510 -0.007 0.000 1.028 231 N CA 0.586 53.635 53.050 -0.002 0.000 0.893 231 N CB -0.420 38.064 38.487 -0.006 0.000 0.967 231 N HN 0.285 nan 8.380 nan 0.000 0.440 232 V N 2.242 122.143 119.914 -0.021 0.000 2.385 232 V HA 0.078 4.198 4.120 0.001 0.000 0.269 232 V C -0.333 175.729 176.094 -0.053 0.000 1.043 232 V CA -0.938 61.345 62.300 -0.029 0.000 0.906 232 V CB -0.205 31.594 31.823 -0.041 0.000 0.995 232 V HN 0.137 nan 8.190 nan 0.000 0.467 233 Y N 4.521 124.734 120.300 -0.144 0.000 2.895 233 Y HA 0.266 4.817 4.550 0.001 0.000 0.334 233 Y C 1.457 177.183 175.900 -0.290 0.000 1.261 233 Y CA 2.104 60.096 58.100 -0.179 0.000 1.560 233 Y CB 0.410 38.801 38.460 -0.114 0.000 1.253 233 Y HN 0.939 nan 8.280 nan 0.000 0.582 234 G N 3.358 111.649 108.800 -0.849 0.000 2.317 234 G HA2 -0.316 3.644 3.960 0.001 0.000 0.227 234 G HA3 -0.316 3.644 3.960 0.001 0.000 0.227 234 G C 0.259 174.692 174.900 -0.779 0.000 1.042 234 G CA 0.163 44.672 45.100 -0.985 0.000 0.623 234 G HN 0.723 nan 8.290 nan 0.000 0.509 235 E N 0.797 120.756 120.200 -0.402 0.000 2.316 235 E HA 0.474 4.825 4.350 0.001 0.000 0.275 235 E C -0.146 176.392 176.600 -0.105 0.000 1.029 235 E CA -0.410 55.887 56.400 -0.172 0.000 0.871 235 E CB 0.935 30.597 29.700 -0.064 0.000 1.022 235 E HN 0.282 nan 8.360 nan 0.000 0.418 236 V N 6.269 126.211 119.914 0.047 0.000 2.384 236 V HA 0.261 4.382 4.120 0.001 0.000 0.287 236 V C 0.161 176.370 176.094 0.191 0.000 1.020 236 V CA -0.784 61.590 62.300 0.124 0.000 0.850 236 V CB 1.026 32.982 31.823 0.222 0.000 0.987 236 V HN 0.675 nan 8.190 nan 0.000 0.436 237 L N 5.343 126.627 121.223 0.102 0.000 2.331 237 L HA 0.396 4.737 4.340 0.001 0.000 0.278 237 L C 0.049 176.928 176.870 0.014 0.000 1.106 237 L CA -0.481 54.389 54.840 0.051 0.000 0.824 237 L CB 0.993 43.072 42.059 0.032 0.000 1.142 237 L HN 0.437 nan 8.230 nan 0.000 0.443 238 I N 2.652 123.164 120.570 -0.096 0.000 2.754 238 I HA 0.325 4.495 4.170 0.001 0.000 0.285 238 I C 0.526 176.621 176.117 -0.036 0.000 1.166 238 I CA 0.301 61.546 61.300 -0.092 0.000 1.417 238 I CB 0.961 38.839 38.000 -0.204 0.000 1.382 238 I HN 0.691 nan 8.210 nan 0.000 0.588 239 A N 4.425 127.242 122.820 -0.005 0.000 2.566 239 A HA 0.446 4.767 4.320 0.001 0.000 0.297 239 A C -1.173 176.424 177.584 0.021 0.000 1.059 239 A CA -0.696 51.346 52.037 0.008 0.000 0.691 239 A CB 1.427 20.439 19.000 0.019 0.000 1.282 239 A HN 0.594 nan 8.150 nan 0.000 0.401 240 D N 1.685 122.097 120.400 0.020 0.000 2.280 240 D HA 0.584 5.225 4.640 0.001 0.000 0.243 240 D C 0.224 176.548 176.300 0.039 0.000 1.129 240 D CA 0.686 54.705 54.000 0.032 0.000 0.848 240 D CB 1.096 41.910 40.800 0.023 0.000 1.107 240 D HN 0.750 nan 8.370 nan 0.000 0.471 241 T N 0.147 114.735 114.554 0.056 0.000 2.901 241 T HA 0.408 4.759 4.350 0.001 0.000 0.293 241 T C 0.811 175.559 174.700 0.080 0.000 1.084 241 T CA -0.747 61.389 62.100 0.060 0.000 1.008 241 T CB 1.676 70.578 68.868 0.058 0.000 1.170 241 T HN 0.298 nan 8.240 nan 0.000 0.509 242 E N 0.370 120.616 120.200 0.076 0.000 2.122 242 E HA 0.068 4.418 4.350 0.001 0.000 0.190 242 E C 0.289 176.981 176.600 0.153 0.000 0.977 242 E CA 0.569 57.025 56.400 0.093 0.000 0.820 242 E CB 0.212 29.953 29.700 0.068 0.000 0.770 242 E HN 0.511 nan 8.360 nan 0.000 0.462 243 K N 1.082 121.559 120.400 0.128 0.000 2.144 243 K HA 0.206 4.527 4.320 0.001 0.000 0.270 243 K C -0.126 176.562 176.600 0.147 0.000 1.005 243 K CA -0.105 56.269 56.287 0.144 0.000 0.932 243 K CB 1.650 34.188 32.500 0.064 0.000 1.021 243 K HN -0.150 nan 8.250 nan 0.000 0.462 244 T N -0.033 114.608 114.554 0.145 0.000 2.859 244 T HA 0.125 4.476 4.350 0.001 0.000 0.281 244 T C 0.934 175.694 174.700 0.101 0.000 1.005 244 T CA -0.685 61.471 62.100 0.093 0.000 1.025 244 T CB 0.889 69.707 68.868 -0.085 0.000 0.977 244 T HN 0.707 nan 8.240 nan 0.000 0.458 245 T N 2.826 117.423 114.554 0.072 0.000 3.129 245 T HA 0.159 4.510 4.350 0.001 0.000 0.251 245 T C 1.101 175.796 174.700 -0.009 0.000 1.117 245 T CA 0.016 62.160 62.100 0.073 0.000 1.034 245 T CB -0.244 68.664 68.868 0.066 0.000 0.968 245 T HN 0.372 nan 8.240 nan 0.000 0.526 246 L N 2.281 123.427 121.223 -0.128 0.000 2.715 246 L HA 0.434 4.775 4.340 0.001 0.000 0.238 246 L C 0.845 177.532 176.870 -0.304 0.000 1.212 246 L CA 0.058 54.714 54.840 -0.307 0.000 1.017 246 L CB -0.816 40.841 42.059 -0.671 0.000 1.269 246 L HN 0.467 nan 8.230 nan 0.000 0.452 247 R N -1.854 118.511 120.500 -0.226 0.000 2.734 247 R HA 0.600 4.941 4.340 0.001 0.000 0.271 247 R C -3.142 172.883 176.300 -0.459 0.000 1.021 247 R CA -1.578 54.362 56.100 -0.267 0.000 0.893 247 R CB 1.144 31.271 30.300 -0.290 0.000 1.244 247 R HN -0.302 nan 8.270 nan 0.000 0.464 248 P HA 0.164 nan 4.420 nan 0.000 0.274 248 P C -1.384 175.289 177.300 -1.044 0.000 1.231 248 P CA -0.078 62.385 63.100 -1.062 0.000 0.790 248 P CB 0.368 31.270 31.700 -1.330 0.000 0.951 249 Y N -0.551 119.277 120.300 -0.788 0.000 2.485 249 Y HA 0.384 4.935 4.550 0.001 0.000 0.345 249 Y C 0.352 175.868 175.900 -0.640 0.000 0.998 249 Y CA -0.346 57.501 58.100 -0.421 0.000 1.059 249 Y CB 1.627 39.915 38.460 -0.287 0.000 1.234 249 Y HN 0.345 nan 8.280 nan 0.000 0.461 250 W N 3.963 125.230 121.300 -0.056 0.000 2.438 250 W HA 0.458 5.118 4.660 0.001 0.000 0.324 250 W C -0.538 175.954 176.519 -0.045 0.000 1.119 250 W CA -0.830 56.464 57.345 -0.085 0.000 1.221 250 W CB 1.237 30.656 29.460 -0.069 0.000 1.253 250 W HN 0.315 nan 8.180 nan 0.000 0.555 251 I N 3.025 123.637 120.570 0.070 0.000 2.441 251 I HA 0.027 4.198 4.170 0.001 0.000 0.287 251 I C 0.734 176.919 176.117 0.114 0.000 1.049 251 I CA -0.247 61.086 61.300 0.055 0.000 1.381 251 I CB 0.703 38.726 38.000 0.038 0.000 1.409 251 I HN 0.179 nan 8.210 nan 0.000 0.523 252 K N 4.827 125.284 120.400 0.095 0.000 2.472 252 K HA 0.131 4.452 4.320 0.001 0.000 0.280 252 K C 0.922 177.569 176.600 0.078 0.000 1.028 252 K CA 1.037 57.376 56.287 0.086 0.000 1.045 252 K CB 0.229 32.770 32.500 0.069 0.000 0.902 252 K HN 0.946 nan 8.250 nan 0.000 0.478 253 G N 1.978 110.817 108.800 0.065 0.000 2.157 253 G HA2 -0.247 3.713 3.960 0.001 0.000 0.239 253 G HA3 -0.247 3.713 3.960 0.001 0.000 0.239 253 G C -0.242 174.688 174.900 0.051 0.000 0.982 253 G CA 0.244 45.372 45.100 0.047 0.000 0.650 253 G HN 0.984 nan 8.290 nan 0.000 0.527 254 S N -1.146 114.600 115.700 0.077 0.000 2.625 254 S HA 0.589 5.059 4.470 0.001 0.000 0.271 254 S C 0.102 174.779 174.600 0.130 0.000 1.161 254 S CA 0.100 58.352 58.200 0.087 0.000 0.820 254 S CB 0.845 64.105 63.200 0.100 0.000 1.137 254 S HN 0.937 nan 8.310 nan 0.000 0.470 255 N N 0.474 119.252 118.700 0.130 0.000 2.376 255 N HA 0.303 5.044 4.740 0.001 0.000 0.249 255 N C -0.761 174.897 175.510 0.246 0.000 1.140 255 N CA -0.531 52.639 53.050 0.199 0.000 0.870 255 N CB 0.582 39.142 38.487 0.121 0.000 1.124 255 N HN 0.276 nan 8.380 nan 0.000 0.505 256 V N 1.041 121.065 119.914 0.183 0.000 2.398 256 V HA 0.608 4.729 4.120 0.001 0.000 0.286 256 V C 0.312 176.281 176.094 -0.208 0.000 1.026 256 V CA -0.963 61.372 62.300 0.059 0.000 0.868 256 V CB 1.110 33.010 31.823 0.128 0.000 0.982 256 V HN 0.394 nan 8.190 nan 0.000 0.443 257 A N 4.771 127.279 122.820 -0.521 0.000 2.295 257 A HA 0.890 5.211 4.320 0.001 0.000 0.318 257 A C -0.270 176.753 177.584 -0.935 0.000 1.134 257 A CA -0.474 50.914 52.037 -1.080 0.000 0.827 257 A CB 1.409 19.443 19.000 -1.610 0.000 1.136 257 A HN 1.311 nan 8.150 nan 0.000 0.493 258 V N -1.466 117.822 119.914 -1.043 0.000 2.769 258 V HA 0.878 4.999 4.120 0.001 0.000 0.312 258 V C -1.007 174.510 176.094 -0.963 0.000 1.061 258 V CA -0.894 60.779 62.300 -1.046 0.000 0.931 258 V CB 1.328 32.559 31.823 -0.988 0.000 1.010 258 V HN 0.628 nan 8.190 nan 0.000 0.433 259 F N 1.686 121.290 119.950 -0.576 0.000 2.495 259 F HA 0.861 5.389 4.527 0.001 0.000 0.327 259 F C 0.633 176.347 175.800 -0.143 0.000 1.103 259 F CA -0.326 57.477 58.000 -0.328 0.000 0.949 259 F CB 2.072 40.897 39.000 -0.291 0.000 1.142 259 F HN 0.911 nan 8.300 nan 0.000 0.457 260 A N 3.415 126.306 122.820 0.118 0.000 2.303 260 A HA 0.543 4.863 4.320 0.001 0.000 0.317 260 A C 0.070 177.756 177.584 0.169 0.000 1.149 260 A CA -0.825 51.274 52.037 0.103 0.000 0.822 260 A CB 0.680 19.710 19.000 0.049 0.000 1.131 260 A HN 0.787 nan 8.150 nan 0.000 0.493 261 R N 1.653 122.264 120.500 0.186 0.000 2.480 261 R HA -0.056 4.285 4.340 0.001 0.000 0.303 261 R C -0.367 176.029 176.300 0.159 0.000 0.985 261 R CA 0.122 56.344 56.100 0.203 0.000 1.051 261 R CB -0.175 30.299 30.300 0.290 0.000 0.935 261 R HN 0.806 nan 8.270 nan 0.000 0.410 262 N N 3.200 121.982 118.700 0.137 0.000 2.452 262 N HA -0.019 4.722 4.740 0.001 0.000 0.266 262 N C 0.832 176.444 175.510 0.170 0.000 1.175 262 N CA 0.048 53.173 53.050 0.124 0.000 0.945 262 N CB 0.745 39.289 38.487 0.094 0.000 1.063 262 N HN 0.505 nan 8.380 nan 0.000 0.472 263 R N 2.237 122.828 120.500 0.152 0.000 2.066 263 R HA -0.127 4.214 4.340 0.001 0.000 0.232 263 R C 1.200 177.632 176.300 0.220 0.000 1.131 263 R CA 1.563 57.767 56.100 0.173 0.000 0.955 263 R CB -0.045 30.325 30.300 0.117 0.000 0.851 263 R HN 0.659 nan 8.270 nan 0.000 0.432 264 E N -0.337 119.971 120.200 0.180 0.000 2.031 264 E HA -0.157 4.194 4.350 0.001 0.000 0.193 264 E C 2.094 178.867 176.600 0.289 0.000 0.994 264 E CA 2.015 58.535 56.400 0.201 0.000 0.800 264 E CB -0.266 29.506 29.700 0.120 0.000 0.752 264 E HN 0.446 nan 8.360 nan 0.000 0.447 265 T N -2.096 112.631 114.554 0.289 0.000 2.951 265 T HA -0.018 4.332 4.350 0.001 0.000 0.268 265 T C 2.047 177.124 174.700 0.629 0.000 1.073 265 T CA 0.904 63.303 62.100 0.497 0.000 1.134 265 T CB -0.507 68.663 68.868 0.504 0.000 0.884 265 T HN 0.206 nan 8.240 nan 0.000 0.479 266 G N 0.729 109.821 108.800 0.486 0.000 2.404 266 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 266 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 266 G C 1.396 176.627 174.900 0.552 0.000 1.174 266 G CA 0.927 46.364 45.100 0.561 0.000 0.780 266 G HN 0.710 nan 8.290 nan 0.000 0.537 267 H N -0.180 119.083 119.070 0.321 0.000 2.389 267 H HA -0.022 4.534 4.556 0.001 0.000 0.299 267 H C 2.477 177.901 175.328 0.159 0.000 1.081 267 H CA 1.874 58.064 56.048 0.237 0.000 1.345 267 H CB -0.025 29.838 29.762 0.169 0.000 1.393 267 H HN 0.341 nan 8.280 nan 0.000 0.520 268 Q N 0.007 119.870 119.800 0.105 0.000 2.224 268 Q HA -0.037 4.304 4.340 0.001 0.000 0.203 268 Q C 2.026 177.736 176.000 -0.483 0.000 0.970 268 Q CA 1.475 57.215 55.803 -0.104 0.000 0.865 268 Q CB -0.082 28.779 28.738 0.204 0.000 0.922 268 Q HN 0.456 nan 8.270 nan 0.000 0.445 269 V N -1.647 118.100 119.914 -0.278 0.000 2.599 269 V HA -0.067 4.054 4.120 0.001 0.000 0.245 269 V C 1.218 176.959 176.094 -0.588 0.000 1.046 269 V CA 1.225 63.159 62.300 -0.609 0.000 1.065 269 V CB -0.376 31.051 31.823 -0.661 0.000 0.703 269 V HN 0.413 nan 8.190 nan 0.000 0.464 270 W N 0.024 121.218 121.300 -0.177 0.000 2.812 270 W HA 0.256 4.916 4.660 0.001 0.000 0.263 270 W C 1.599 177.989 176.519 -0.215 0.000 1.284 270 W CA 0.389 57.639 57.345 -0.158 0.000 1.430 270 W CB 0.090 29.527 29.460 -0.039 0.000 1.088 270 W HN 0.078 nan 8.180 nan 0.000 0.623 271 S N 1.440 117.089 115.700 -0.086 0.000 2.626 271 S HA 0.093 4.563 4.470 0.001 0.000 0.303 271 S C 1.341 175.867 174.600 -0.123 0.000 1.256 271 S CA 0.493 58.608 58.200 -0.142 0.000 1.069 271 S CB 1.153 64.106 63.200 -0.411 0.000 0.807 271 S HN 0.238 nan 8.310 nan 0.000 0.500 272 A N 4.436 127.216 122.820 -0.067 0.000 1.877 272 A HA -0.067 4.254 4.320 0.001 0.000 0.216 272 A C 1.788 179.163 177.584 -0.349 0.000 1.186 272 A CA 2.032 53.968 52.037 -0.169 0.000 0.620 272 A CB -1.132 17.791 19.000 -0.129 0.000 0.822 272 A HN 1.028 nan 8.150 nan 0.000 0.443 273 H N -3.367 115.502 119.070 -0.334 0.000 2.497 273 H HA 0.132 4.689 4.556 0.001 0.000 0.282 273 H C 0.883 175.670 175.328 -0.902 0.000 1.003 273 H CA 1.496 57.158 56.048 -0.644 0.000 1.307 273 H CB 0.049 29.301 29.762 -0.851 0.000 1.437 273 H HN 0.631 nan 8.280 nan 0.000 0.544 274 Y N -0.870 119.400 120.300 -0.050 0.000 2.453 274 Y HA 0.334 4.885 4.550 0.001 0.000 0.247 274 Y C 1.518 177.227 175.900 -0.317 0.000 1.124 274 Y CA -0.235 57.780 58.100 -0.141 0.000 1.243 274 Y CB 0.278 38.696 38.460 -0.070 0.000 1.213 274 Y HN 0.047 nan 8.280 nan 0.000 0.523 275 G N -0.766 107.853 108.800 -0.302 0.000 2.442 275 G HA2 0.055 4.016 3.960 0.001 0.000 0.249 275 G HA3 0.055 4.016 3.960 0.001 0.000 0.249 275 G C 0.282 174.834 174.900 -0.579 0.000 1.263 275 G CA -0.276 44.512 45.100 -0.520 0.000 0.846 275 G HN 0.413 nan 8.290 nan 0.000 0.555 276 Y N 1.936 121.804 120.300 -0.721 0.000 2.102 276 Y HA -0.169 4.381 4.550 0.001 0.000 0.280 276 Y C 0.273 175.685 175.900 -0.814 0.000 1.178 276 Y CA 1.318 58.844 58.100 -0.956 0.000 1.146 276 Y CB -0.976 36.723 38.460 -1.268 0.000 0.968 276 Y HN 0.414 nan 8.280 nan 0.000 0.504 277 P HA -0.116 nan 4.420 nan 0.000 0.226 277 P C 1.267 178.401 177.300 -0.277 0.000 1.146 277 P CA 1.841 64.245 63.100 -1.160 0.000 0.773 277 P CB -0.260 30.793 31.700 -1.078 0.000 0.772 278 G N -1.470 107.201 108.800 -0.215 0.000 3.042 278 G HA2 -0.063 3.898 3.960 0.001 0.000 0.212 278 G HA3 -0.063 3.898 3.960 0.001 0.000 0.212 278 G C 0.301 175.184 174.900 -0.028 0.000 1.166 278 G CA -0.133 44.919 45.100 -0.079 0.000 0.767 278 G HN 0.191 nan 8.290 nan 0.000 0.546 279 D N 0.228 120.611 120.400 -0.028 0.000 2.525 279 D HA -0.057 4.583 4.640 0.001 0.000 0.235 279 D C 0.904 177.195 176.300 -0.015 0.000 1.137 279 D CA -0.260 53.646 54.000 -0.157 0.000 0.868 279 D CB 0.434 41.094 40.800 -0.232 0.000 1.180 279 D HN 0.020 nan 8.370 nan 0.000 0.465 280 F N 2.293 122.127 119.950 -0.192 0.000 2.269 280 F HA -0.108 4.419 4.527 0.001 0.000 0.301 280 F C 1.787 177.286 175.800 -0.501 0.000 1.082 280 F CA 0.171 57.960 58.000 -0.352 0.000 1.360 280 F CB -1.086 37.628 39.000 -0.476 0.000 1.041 280 F HN 0.542 nan 8.300 nan 0.000 0.512 281 W N -1.739 119.606 121.300 0.075 0.000 2.825 281 W HA 0.029 4.690 4.660 0.001 0.000 0.243 281 W C 0.527 177.175 176.519 0.216 0.000 1.293 281 W CA -0.103 57.261 57.345 0.032 0.000 1.403 281 W CB -1.084 28.309 29.460 -0.113 0.000 1.134 281 W HN -0.094 nan 8.180 nan 0.000 0.666 282 Y N 0.721 121.288 120.300 0.446 0.000 2.316 282 Y HA 0.234 4.785 4.550 0.001 0.000 0.324 282 Y C 1.304 177.504 175.900 0.499 0.000 1.267 282 Y CA -1.657 56.766 58.100 0.539 0.000 1.311 282 Y CB 0.467 39.215 38.460 0.480 0.000 1.267 282 Y HN -0.396 nan 8.280 nan 0.000 0.516 283 R N 2.332 123.223 120.500 0.652 0.000 2.522 283 R HA -0.043 4.298 4.340 0.001 0.000 0.284 283 R C -0.518 175.918 176.300 0.226 0.000 1.032 283 R CA -0.372 55.838 56.100 0.183 0.000 1.049 283 R CB 0.474 30.527 30.300 -0.411 0.000 0.956 283 R HN 0.633 nan 8.270 nan 0.000 0.422 284 E N 4.547 124.855 120.200 0.180 0.000 2.257 284 E HA -0.053 4.297 4.350 0.001 0.000 0.278 284 E C 0.046 176.706 176.600 0.101 0.000 1.049 284 E CA -0.072 56.431 56.400 0.171 0.000 0.876 284 E CB 0.413 30.209 29.700 0.158 0.000 1.035 284 E HN 0.574 nan 8.360 nan 0.000 0.419 285 F N 4.630 124.545 119.950 -0.057 0.000 2.146 285 F HA -0.086 4.442 4.527 0.001 0.000 0.298 285 F C 1.212 176.863 175.800 -0.248 0.000 1.096 285 F CA 1.774 59.648 58.000 -0.210 0.000 1.275 285 F CB 0.013 38.794 39.000 -0.366 0.000 1.008 285 F HN 0.722 nan 8.300 nan 0.000 0.480 286 H N -0.916 118.154 119.070 -0.001 0.000 2.548 286 H HA 0.127 4.684 4.556 0.001 0.000 0.268 286 H C 0.426 175.651 175.328 -0.172 0.000 0.975 286 H CA 0.415 56.410 56.048 -0.090 0.000 1.195 286 H CB -0.036 29.732 29.762 0.010 0.000 1.397 286 H HN 0.014 nan 8.280 nan 0.000 0.572 287 K N 1.865 122.215 120.400 -0.084 0.000 2.253 287 K HA 0.213 4.533 4.320 0.001 0.000 0.277 287 K C -0.799 175.718 176.600 -0.139 0.000 1.053 287 K CA -0.357 55.795 56.287 -0.226 0.000 0.892 287 K CB 0.435 32.666 32.500 -0.448 0.000 1.102 287 K HN 0.080 nan 8.250 nan 0.000 0.469 288 K N 2.249 122.553 120.400 -0.160 0.000 2.443 288 K HA 0.370 4.691 4.320 0.001 0.000 0.252 288 K C -0.993 175.621 176.600 0.024 0.000 0.933 288 K CA -0.866 55.384 56.287 -0.061 0.000 0.792 288 K CB 2.063 34.497 32.500 -0.109 0.000 1.185 288 K HN 0.603 nan 8.250 nan 0.000 0.425 289 A N 4.217 127.110 122.820 0.121 0.000 2.440 289 A HA 0.321 4.642 4.320 0.001 0.000 0.251 289 A C -2.091 175.549 177.584 0.092 0.000 1.089 289 A CA -1.023 51.127 52.037 0.187 0.000 0.779 289 A CB -0.416 18.657 19.000 0.121 0.000 1.022 289 A HN 0.382 nan 8.150 nan 0.000 0.492 290 P HA 0.239 nan 4.420 nan 0.000 0.270 290 P C 0.200 177.530 177.300 0.050 0.000 1.223 290 P CA 0.023 63.163 63.100 0.067 0.000 0.785 290 P CB 0.889 32.638 31.700 0.081 0.000 0.923 291 K N -0.079 120.313 120.400 -0.013 0.000 10.645 291 K HA -0.209 4.112 4.320 0.001 0.000 0.521 291 K C 1.784 178.332 176.600 -0.087 0.000 0.402 291 K CA 2.533 58.790 56.287 -0.049 0.000 1.938 291 K CB -2.425 30.074 32.500 -0.002 0.000 0.754 291 K HN 0.584 nan 8.250 nan 0.000 1.186 292 S N 0.166 115.835 115.700 -0.051 0.000 2.470 292 S HA 0.213 4.684 4.470 0.001 0.000 0.225 292 S C 1.521 176.038 174.600 -0.138 0.000 1.006 292 S CA 1.299 59.439 58.200 -0.100 0.000 0.934 292 S CB 0.514 63.689 63.200 -0.041 0.000 0.778 292 S HN 1.344 nan 8.310 nan 0.000 0.517 293 G N 1.265 110.004 108.800 -0.103 0.000 2.203 293 G HA2 -0.133 3.828 3.960 0.001 0.000 0.263 293 G HA3 -0.133 3.828 3.960 0.001 0.000 0.263 293 G C 0.382 175.139 174.900 -0.239 0.000 1.012 293 G CA 0.038 45.066 45.100 -0.120 0.000 0.749 293 G HN 1.096 nan 8.290 nan 0.000 0.512 294 G N -0.835 107.750 108.800 -0.359 0.000 2.441 294 G HA2 0.466 4.426 3.960 0.001 0.000 0.243 294 G HA3 0.466 4.426 3.960 0.001 0.000 0.243 294 G C 0.099 174.424 174.900 -0.958 0.000 1.281 294 G CA -0.229 44.395 45.100 -0.793 0.000 0.854 294 G HN 0.515 nan 8.290 nan 0.000 0.560 295 Q N 1.265 120.565 119.800 -0.834 0.000 2.466 295 Q HA 0.295 4.636 4.340 0.001 0.000 0.242 295 Q C -0.810 174.874 176.000 -0.527 0.000 1.046 295 Q CA -0.429 55.083 55.803 -0.485 0.000 0.841 295 Q CB 1.012 29.544 28.738 -0.343 0.000 1.193 295 Q HN 0.748 nan 8.270 nan 0.000 0.508 296 Y N -0.497 119.625 120.300 -0.295 0.000 2.481 296 Y HA 0.205 4.756 4.550 0.001 0.000 0.247 296 Y C -0.052 175.572 175.900 -0.459 0.000 1.151 296 Y CA -0.664 57.108 58.100 -0.546 0.000 1.238 296 Y CB 0.658 38.609 38.460 -0.847 0.000 1.179 296 Y HN 0.475 nan 8.280 nan 0.000 0.524 297 W N 2.689 124.049 121.300 0.099 0.000 2.578 297 W HA 0.480 5.140 4.660 0.001 0.000 0.353 297 W C 0.433 177.029 176.519 0.128 0.000 1.088 297 W CA -1.177 56.214 57.345 0.076 0.000 1.235 297 W CB 1.304 30.710 29.460 -0.090 0.000 1.362 297 W HN -0.117 nan 8.180 nan 0.000 0.592 298 R N 0.294 121.035 120.500 0.401 0.000 2.607 298 R HA 0.515 4.855 4.340 0.001 0.000 0.261 298 R C 0.658 177.071 176.300 0.188 0.000 1.051 298 R CA -0.712 55.599 56.100 0.352 0.000 1.110 298 R CB 0.890 31.385 30.300 0.325 0.000 1.158 298 R HN 0.501 nan 8.270 nan 0.000 0.543 299 I N 0.527 121.201 120.570 0.173 0.000 2.394 299 I HA -0.258 3.912 4.170 0.001 0.000 0.251 299 I C 0.688 176.737 176.117 -0.113 0.000 1.136 299 I CA 1.759 63.117 61.300 0.096 0.000 1.425 299 I CB -0.269 37.853 38.000 0.204 0.000 1.079 299 I HN 1.026 nan 8.210 nan 0.000 0.425 300 T N -0.747 113.673 114.554 -0.223 0.000 13.398 300 T HA -0.283 4.067 4.350 0.001 0.000 0.418 300 T C 0.489 174.569 174.700 -1.033 0.000 1.446 300 T CA 1.490 63.319 62.100 -0.452 0.000 2.363 300 T CB -1.141 67.561 68.868 -0.276 0.000 2.794 300 T HN 0.610 nan 8.240 nan 0.000 0.571 301 S N -0.301 114.736 115.700 -1.105 0.000 2.727 301 S HA 0.658 5.129 4.470 0.001 0.000 0.278 301 S C 0.004 174.179 174.600 -0.709 0.000 1.186 301 S CA -0.334 56.974 58.200 -1.488 0.000 0.836 301 S CB 1.852 64.614 63.200 -0.731 0.000 1.186 301 S HN 0.328 nan 8.310 nan 0.000 0.499 302 K N 0.680 120.866 120.400 -0.358 0.000 2.288 302 K HA -0.033 4.287 4.320 0.001 0.000 0.201 302 K C 1.339 177.859 176.600 -0.134 0.000 1.048 302 K CA 1.178 57.397 56.287 -0.113 0.000 0.956 302 K CB -0.260 32.236 32.500 -0.007 0.000 0.746 302 K HN 0.722 nan 8.250 nan 0.000 0.461 303 E N -0.161 119.936 120.200 -0.172 0.000 3.948 303 E HA -0.335 4.016 4.350 0.001 0.000 0.200 303 E C 0.012 176.538 176.600 -0.123 0.000 1.198 303 E CA 1.628 57.929 56.400 -0.165 0.000 2.232 303 E CB -1.404 28.187 29.700 -0.182 0.000 1.824 303 E HN 0.086 nan 8.360 nan 0.000 0.346 304 V N 2.092 121.937 119.914 -0.114 0.000 3.825 304 V HA 0.103 4.224 4.120 0.001 0.000 0.521 304 V C 0.137 176.161 176.094 -0.117 0.000 0.682 304 V CA 2.967 65.201 62.300 -0.109 0.000 2.054 304 V CB -1.038 30.731 31.823 -0.090 0.000 2.452 304 V HN 2.125 nan 8.190 nan 0.000 0.514 305 G N 4.641 113.364 108.800 -0.129 0.000 2.699 305 G HA2 -0.073 3.887 3.960 0.001 0.000 0.686 305 G HA3 -0.073 3.887 3.960 0.001 0.000 0.686 305 G C -0.117 174.691 174.900 -0.154 0.000 1.301 305 G CA -0.248 44.772 45.100 -0.133 0.000 0.816 305 G HN 1.793 nan 8.290 nan 0.000 0.595 306 L N 1.125 122.245 121.223 -0.172 0.000 2.616 306 L HA 0.267 4.608 4.340 0.001 0.000 0.229 306 L C 2.775 179.481 176.870 -0.274 0.000 1.110 306 L CA 0.831 55.531 54.840 -0.234 0.000 0.884 306 L CB -0.099 41.809 42.059 -0.252 0.000 1.115 306 L HN 0.828 nan 8.230 nan 0.000 0.481 307 G N 0.101 108.780 108.800 -0.203 0.000 2.432 307 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 307 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 307 G C 1.226 176.022 174.900 -0.174 0.000 1.135 307 G CA 0.545 45.537 45.100 -0.180 0.000 0.767 307 G HN 0.236 nan 8.290 nan 0.000 0.550 308 E N -0.332 119.766 120.200 -0.169 0.000 2.548 308 E HA 0.195 4.546 4.350 0.001 0.000 0.206 308 E C 0.328 176.839 176.600 -0.149 0.000 1.005 308 E CA -0.308 56.010 56.400 -0.137 0.000 0.951 308 E CB 0.306 29.935 29.700 -0.118 0.000 1.035 308 E HN 0.034 nan 8.360 nan 0.000 0.470 309 K N 1.193 121.472 120.400 -0.200 0.000 2.436 309 K HA 0.077 4.398 4.320 0.001 0.000 0.275 309 K C 0.250 176.824 176.600 -0.043 0.000 0.999 309 K CA 0.310 56.504 56.287 -0.155 0.000 0.980 309 K CB 0.547 32.908 32.500 -0.231 0.000 0.919 309 K HN 0.205 nan 8.250 nan 0.000 0.484 310 E N 0.995 121.215 120.200 0.033 0.000 2.280 310 E HA 0.270 4.620 4.350 0.001 0.000 0.261 310 E C -0.375 176.359 176.600 0.223 0.000 1.088 310 E CA -0.721 55.742 56.400 0.106 0.000 0.915 310 E CB 0.601 30.343 29.700 0.070 0.000 1.141 310 E HN 0.211 nan 8.360 nan 0.000 0.433 311 F N 0.713 120.798 119.950 0.225 0.000 2.380 311 F HA 0.115 4.643 4.527 0.001 0.000 0.325 311 F C 0.354 176.249 175.800 0.159 0.000 1.136 311 F CA -0.278 57.769 58.000 0.078 0.000 1.171 311 F CB 0.309 39.294 39.000 -0.025 0.000 1.230 311 F HN 0.381 nan 8.300 nan 0.000 0.554 312 Y N 2.019 122.455 120.300 0.227 0.000 2.497 312 Y HA 0.080 4.631 4.550 0.001 0.000 0.334 312 Y C 0.058 176.050 175.900 0.152 0.000 1.199 312 Y CA -0.180 58.025 58.100 0.175 0.000 1.425 312 Y CB 0.312 38.828 38.460 0.092 0.000 1.291 312 Y HN 0.423 nan 8.280 nan 0.000 0.562 313 D N 7.770 127.996 120.400 -0.290 0.000 2.446 313 D HA 0.275 4.916 4.640 0.001 0.000 0.251 313 D C -2.258 173.673 176.300 -0.616 0.000 1.137 313 D CA -2.140 51.701 54.000 -0.265 0.000 0.890 313 D CB 1.731 42.536 40.800 0.008 0.000 1.071 313 D HN 0.297 nan 8.370 nan 0.000 0.528 314 P HA -0.084 nan 4.420 nan 0.000 0.216 314 P C 0.820 177.874 177.300 -0.411 0.000 1.150 314 P CA 0.866 63.528 63.100 -0.730 0.000 0.837 314 P CB 0.492 31.669 31.700 -0.871 0.000 0.786 315 D N -0.811 119.410 120.400 -0.297 0.000 2.149 315 D HA -0.105 4.536 4.640 0.001 0.000 0.201 315 D C 1.775 177.935 176.300 -0.235 0.000 0.972 315 D CA 0.998 54.874 54.000 -0.206 0.000 0.835 315 D CB -0.137 40.565 40.800 -0.163 0.000 0.966 315 D HN 0.237 nan 8.370 nan 0.000 0.476 316 K N 0.861 121.065 120.400 -0.327 0.000 2.103 316 K HA 0.030 4.351 4.320 0.001 0.000 0.204 316 K C 2.139 178.578 176.600 -0.268 0.000 1.052 316 K CA 0.554 56.563 56.287 -0.463 0.000 0.945 316 K CB -0.004 31.941 32.500 -0.926 0.000 0.722 316 K HN -0.009 nan 8.250 nan 0.000 0.443 317 A N 1.745 124.489 122.820 -0.127 0.000 1.883 317 A HA -0.170 4.150 4.320 0.001 0.000 0.217 317 A C 2.225 179.909 177.584 0.167 0.000 1.186 317 A CA 1.644 53.765 52.037 0.139 0.000 0.624 317 A CB -0.506 18.614 19.000 0.201 0.000 0.822 317 A HN 0.195 nan 8.150 nan 0.000 0.444 318 M N -0.871 118.751 119.600 0.035 0.000 2.213 318 M HA -0.170 4.311 4.480 0.001 0.000 0.263 318 M C 1.934 178.240 176.300 0.009 0.000 1.062 318 M CA 1.625 56.952 55.300 0.044 0.000 1.105 318 M CB -0.447 32.154 32.600 0.002 0.000 1.385 318 M HN 0.491 nan 8.290 nan 0.000 0.417 319 E N -0.106 120.053 120.200 -0.069 0.000 2.072 319 E HA -0.133 4.218 4.350 0.001 0.000 0.191 319 E C 2.226 178.769 176.600 -0.094 0.000 0.985 319 E CA 0.729 57.070 56.400 -0.097 0.000 0.801 319 E CB 0.005 29.601 29.700 -0.175 0.000 0.750 319 E HN 0.316 nan 8.360 nan 0.000 0.452 320 R N 0.601 121.033 120.500 -0.113 0.000 2.091 320 R HA -0.113 4.228 4.340 0.001 0.000 0.238 320 R C 2.428 178.695 176.300 -0.056 0.000 1.136 320 R CA 0.772 56.741 56.100 -0.218 0.000 0.959 320 R CB -1.038 29.062 30.300 -0.333 0.000 0.856 320 R HN 0.140 nan 8.270 nan 0.000 0.437 321 V N 1.388 121.471 119.914 0.281 0.000 2.250 321 V HA -0.296 3.825 4.120 0.001 0.000 0.250 321 V C 2.463 178.710 176.094 0.254 0.000 1.060 321 V CA 2.364 64.890 62.300 0.375 0.000 1.030 321 V CB -0.503 31.468 31.823 0.245 0.000 0.643 321 V HN 0.317 nan 8.190 nan 0.000 0.445 322 E N 0.275 120.545 120.200 0.116 0.000 2.072 322 E HA -0.218 4.132 4.350 0.001 0.000 0.191 322 E C 2.062 178.711 176.600 0.081 0.000 0.985 322 E CA 1.723 58.168 56.400 0.076 0.000 0.801 322 E CB -0.269 29.448 29.700 0.029 0.000 0.750 322 E HN 0.678 nan 8.360 nan 0.000 0.452 323 E N -0.843 119.365 120.200 0.012 0.000 2.058 323 E HA -0.218 4.132 4.350 0.001 0.000 0.194 323 E C 2.089 178.779 176.600 0.150 0.000 0.997 323 E CA 1.633 58.044 56.400 0.018 0.000 0.801 323 E CB -0.250 29.379 29.700 -0.120 0.000 0.746 323 E HN 0.563 nan 8.360 nan 0.000 0.450 324 H N -0.555 118.588 119.070 0.122 0.000 2.395 324 H HA 0.017 4.574 4.556 0.001 0.000 0.299 324 H C 2.119 177.601 175.328 0.258 0.000 1.070 324 H CA 0.476 56.487 56.048 -0.061 0.000 1.356 324 H CB 0.066 29.616 29.762 -0.353 0.000 1.401 324 H HN 0.185 nan 8.280 nan 0.000 0.524 325 A N 1.374 124.476 122.820 0.470 0.000 1.908 325 A HA -0.201 4.120 4.320 0.001 0.000 0.218 325 A C 2.236 179.981 177.584 0.268 0.000 1.181 325 A CA 1.498 53.659 52.037 0.207 0.000 0.627 325 A CB -0.320 18.657 19.000 -0.037 0.000 0.818 325 A HN 0.340 nan 8.150 nan 0.000 0.445 326 R N -1.818 118.831 120.500 0.248 0.000 2.090 326 R HA -0.086 4.255 4.340 0.001 0.000 0.228 326 R C 2.321 178.796 176.300 0.291 0.000 1.110 326 R CA 1.121 57.349 56.100 0.214 0.000 0.973 326 R CB -0.502 29.891 30.300 0.154 0.000 0.869 326 R HN 0.750 nan 8.270 nan 0.000 0.440 327 H N 0.268 119.509 119.070 0.285 0.000 2.353 327 H HA -0.154 4.403 4.556 0.001 0.000 0.300 327 H C 1.761 177.362 175.328 0.455 0.000 1.090 327 H CA 1.666 57.923 56.048 0.349 0.000 1.327 327 H CB -0.139 29.876 29.762 0.422 0.000 1.383 327 H HN 0.141 nan 8.280 nan 0.000 0.508 328 F N 0.894 121.208 119.950 0.607 0.000 2.186 328 F HA -0.140 4.388 4.527 0.001 0.000 0.299 328 F C 2.455 178.451 175.800 0.326 0.000 1.090 328 F CA 1.122 59.487 58.000 0.608 0.000 1.307 328 F CB -0.444 39.062 39.000 0.842 0.000 1.019 328 F HN -0.041 nan 8.300 nan 0.000 0.489 329 V N -0.975 119.172 119.914 0.388 0.000 2.427 329 V HA -0.254 3.867 4.120 0.001 0.000 0.248 329 V C 2.510 178.640 176.094 0.059 0.000 1.051 329 V CA 1.926 64.333 62.300 0.178 0.000 1.048 329 V CB -0.835 31.090 31.823 0.170 0.000 0.666 329 V HN 0.319 nan 8.190 nan 0.000 0.456 330 S N 0.005 115.741 115.700 0.061 0.000 2.359 330 S HA -0.205 4.266 4.470 0.001 0.000 0.224 330 S C 1.909 176.478 174.600 -0.053 0.000 1.035 330 S CA 2.010 60.207 58.200 -0.005 0.000 1.018 330 S CB -0.403 62.779 63.200 -0.030 0.000 0.876 330 S HN 0.486 nan 8.310 nan 0.000 0.448 331 L N 1.882 123.051 121.223 -0.090 0.000 1.989 331 L HA -0.080 4.261 4.340 0.001 0.000 0.211 331 L C 2.163 178.959 176.870 -0.124 0.000 1.071 331 L CA 1.714 56.492 54.840 -0.103 0.000 0.749 331 L CB -0.895 41.112 42.059 -0.086 0.000 0.890 331 L HN 0.142 nan 8.230 nan 0.000 0.431 332 V N 0.293 120.081 119.914 -0.210 0.000 2.252 332 V HA -0.361 3.760 4.120 0.001 0.000 0.249 332 V C 2.573 178.624 176.094 -0.072 0.000 1.056 332 V CA 2.359 64.552 62.300 -0.178 0.000 1.022 332 V CB -0.886 30.814 31.823 -0.204 0.000 0.641 332 V HN 0.560 nan 8.190 nan 0.000 0.445 333 E N -0.374 119.801 120.200 -0.041 0.000 2.085 333 E HA -0.275 4.076 4.350 0.001 0.000 0.194 333 E C 2.451 179.049 176.600 -0.003 0.000 0.994 333 E CA 1.275 57.667 56.400 -0.014 0.000 0.801 333 E CB -0.274 29.424 29.700 -0.004 0.000 0.743 333 E HN 0.443 nan 8.360 nan 0.000 0.453 334 R N 0.814 121.308 120.500 -0.010 0.000 2.094 334 R HA -0.172 4.169 4.340 0.001 0.000 0.239 334 R C 2.457 178.771 176.300 0.024 0.000 1.137 334 R CA 1.343 57.446 56.100 0.005 0.000 0.943 334 R CB -0.321 29.975 30.300 -0.005 0.000 0.850 334 R HN 0.192 nan 8.270 nan 0.000 0.433 335 L N 0.530 121.762 121.223 0.014 0.000 2.046 335 L HA -0.196 4.144 4.340 0.001 0.000 0.208 335 L C 2.479 179.398 176.870 0.081 0.000 1.077 335 L CA 1.076 55.942 54.840 0.042 0.000 0.747 335 L CB -0.374 41.691 42.059 0.011 0.000 0.896 335 L HN 0.259 nan 8.230 nan 0.000 0.432 336 L N -0.728 120.526 121.223 0.052 0.000 2.056 336 L HA -0.183 4.157 4.340 0.001 0.000 0.207 336 L C 2.833 179.777 176.870 0.122 0.000 1.078 336 L CA 1.056 55.945 54.840 0.081 0.000 0.749 336 L CB -0.495 41.582 42.059 0.029 0.000 0.901 336 L HN 0.221 nan 8.230 nan 0.000 0.433 337 R N 0.560 121.107 120.500 0.079 0.000 2.080 337 R HA -0.205 4.136 4.340 0.001 0.000 0.236 337 R C 2.189 178.545 176.300 0.093 0.000 1.137 337 R CA 1.875 58.018 56.100 0.072 0.000 0.943 337 R CB -0.123 30.202 30.300 0.042 0.000 0.846 337 R HN 0.389 nan 8.270 nan 0.000 0.431 338 E N -1.161 119.099 120.200 0.099 0.000 2.070 338 E HA -0.284 4.067 4.350 0.001 0.000 0.197 338 E C 1.953 178.650 176.600 0.161 0.000 1.004 338 E CA 1.790 58.254 56.400 0.107 0.000 0.805 338 E CB -0.260 29.502 29.700 0.103 0.000 0.744 338 E HN 0.488 nan 8.360 nan 0.000 0.451 339 H N 0.691 119.849 119.070 0.146 0.000 2.290 339 H HA -0.152 4.405 4.556 0.001 0.000 0.298 339 H C 2.079 177.561 175.328 0.257 0.000 1.087 339 H CA 2.107 58.299 56.048 0.240 0.000 1.291 339 H CB 0.052 29.901 29.762 0.145 0.000 1.369 339 H HN 0.068 nan 8.280 nan 0.000 0.492 340 E N 0.241 120.574 120.200 0.222 0.000 2.160 340 E HA -0.175 4.176 4.350 0.001 0.000 0.195 340 E C 1.963 178.605 176.600 0.070 0.000 0.991 340 E CA 1.637 58.125 56.400 0.147 0.000 0.810 340 E CB 0.010 29.787 29.700 0.128 0.000 0.742 340 E HN 0.677 nan 8.360 nan 0.000 0.466 341 E N -0.288 119.941 120.200 0.048 0.000 2.158 341 E HA -0.114 4.237 4.350 0.001 0.000 0.191 341 E C 1.852 178.421 176.600 -0.052 0.000 0.982 341 E CA 0.726 57.129 56.400 0.005 0.000 0.823 341 E CB 0.059 29.764 29.700 0.009 0.000 0.766 341 E HN 0.106 nan 8.360 nan 0.000 0.468 342 K N -0.196 120.151 120.400 -0.088 0.000 2.098 342 K HA -0.001 4.320 4.320 0.001 0.000 0.203 342 K C 0.982 177.306 176.600 -0.459 0.000 1.051 342 K CA 0.810 56.922 56.287 -0.292 0.000 0.957 342 K CB 0.226 32.519 32.500 -0.345 0.000 0.738 342 K HN 0.014 nan 8.250 nan 0.000 0.447 343 F N -0.291 119.540 119.950 -0.199 0.000 2.682 343 F HA 0.301 4.829 4.527 0.001 0.000 0.308 343 F C 0.982 176.737 175.800 -0.076 0.000 1.093 343 F CA 0.194 58.089 58.000 -0.175 0.000 1.244 343 F CB 1.182 39.965 39.000 -0.361 0.000 1.052 343 F HN 0.175 nan 8.300 nan 0.000 0.573 344 G N 1.913 110.762 108.800 0.081 0.000 2.341 344 G HA2 -0.285 3.676 3.960 0.001 0.000 0.292 344 G HA3 -0.285 3.676 3.960 0.001 0.000 0.292 344 G C -0.126 174.842 174.900 0.113 0.000 1.021 344 G CA 0.785 45.931 45.100 0.078 0.000 0.905 344 G HN 0.525 nan 8.290 nan 0.000 0.508 345 E N -1.183 119.115 120.200 0.163 0.000 2.372 345 E HA 0.550 4.900 4.350 0.001 0.000 0.279 345 E C -0.564 176.202 176.600 0.276 0.000 0.946 345 E CA -1.485 55.029 56.400 0.189 0.000 0.769 345 E CB 1.319 31.133 29.700 0.190 0.000 1.230 345 E HN -0.051 nan 8.360 nan 0.000 0.442 346 K N 1.426 121.975 120.400 0.248 0.000 2.484 346 K HA 0.203 4.523 4.320 0.001 0.000 0.280 346 K C 0.328 177.141 176.600 0.355 0.000 1.013 346 K CA 0.282 56.740 56.287 0.284 0.000 1.029 346 K CB 0.762 33.441 32.500 0.298 0.000 0.902 346 K HN 0.701 nan 8.250 nan 0.000 0.481 347 G N 1.790 110.732 108.800 0.236 0.000 2.462 347 G HA2 0.592 4.553 3.960 0.001 0.000 0.319 347 G HA3 0.592 4.553 3.960 0.001 0.000 0.319 347 G C -0.784 174.165 174.900 0.081 0.000 1.171 347 G CA -0.710 44.322 45.100 -0.113 0.000 0.920 347 G HN 0.606 nan 8.290 nan 0.000 0.499 348 I N 0.248 120.777 120.570 -0.069 0.000 2.466 348 I HA 0.519 4.690 4.170 0.001 0.000 0.289 348 I C -0.911 175.111 176.117 -0.159 0.000 1.026 348 I CA -1.146 60.093 61.300 -0.102 0.000 1.078 348 I CB 1.519 39.248 38.000 -0.453 0.000 1.249 348 I HN 0.282 nan 8.210 nan 0.000 0.429 349 I N 7.857 128.351 120.570 -0.126 0.000 2.315 349 I HA 0.301 4.471 4.170 0.001 0.000 0.291 349 I C -0.560 175.476 176.117 -0.135 0.000 1.006 349 I CA -0.624 60.613 61.300 -0.106 0.000 1.265 349 I CB 1.528 39.477 38.000 -0.086 0.000 1.387 349 I HN 0.254 nan 8.210 nan 0.000 0.475 350 V N 6.231 126.091 119.914 -0.090 0.000 2.398 350 V HA 0.617 4.738 4.120 0.001 0.000 0.286 350 V C 0.234 176.323 176.094 -0.008 0.000 1.026 350 V CA -0.489 61.755 62.300 -0.093 0.000 0.868 350 V CB 1.466 33.252 31.823 -0.062 0.000 0.982 350 V HN 0.821 nan 8.190 nan 0.000 0.443 351 A N 7.800 130.604 122.820 -0.027 0.000 2.709 351 A HA 0.763 5.084 4.320 0.001 0.000 0.332 351 A C -2.814 174.739 177.584 -0.052 0.000 1.241 351 A CA -1.435 50.613 52.037 0.018 0.000 0.782 351 A CB 0.851 19.935 19.000 0.140 0.000 1.109 351 A HN 0.559 nan 8.150 nan 0.000 0.472 352 P HA 0.595 nan 4.420 nan 0.000 0.294 352 P C -1.400 175.853 177.300 -0.079 0.000 1.294 352 P CA -0.131 62.952 63.100 -0.028 0.000 0.827 352 P CB 0.859 32.609 31.700 0.083 0.000 0.992 353 Y N -0.763 119.865 120.300 0.546 0.000 2.534 353 Y HA 0.232 4.783 4.550 0.001 0.000 0.345 353 Y C 0.525 176.708 175.900 0.472 0.000 1.031 353 Y CA -0.963 57.513 58.100 0.626 0.000 1.022 353 Y CB 1.470 40.236 38.460 0.511 0.000 1.292 353 Y HN 0.285 nan 8.280 nan 0.000 0.459 354 D N 0.970 121.780 120.400 0.683 0.000 2.450 354 D HA -0.013 4.628 4.640 0.001 0.000 0.247 354 D C 0.766 177.161 176.300 0.158 0.000 1.162 354 D CA 0.736 54.957 54.000 0.368 0.000 0.879 354 D CB 1.446 42.495 40.800 0.416 0.000 1.163 354 D HN 0.746 nan 8.370 nan 0.000 0.472 355 T N 3.546 118.148 114.554 0.079 0.000 2.881 355 T HA -0.166 4.184 4.350 0.001 0.000 0.270 355 T C 1.490 176.177 174.700 -0.022 0.000 1.068 355 T CA 1.069 63.265 62.100 0.159 0.000 1.131 355 T CB 0.035 68.984 68.868 0.136 0.000 0.871 355 T HN 0.521 nan 8.240 nan 0.000 0.479 356 E N 0.308 120.313 120.200 -0.324 0.000 2.478 356 E HA 0.033 4.384 4.350 0.001 0.000 0.198 356 E C 1.829 177.842 176.600 -0.978 0.000 1.046 356 E CA -0.113 55.898 56.400 -0.648 0.000 0.870 356 E CB -0.155 29.052 29.700 -0.822 0.000 0.818 356 E HN 0.240 nan 8.360 nan 0.000 0.527 357 L N 0.228 120.962 121.223 -0.814 0.000 2.081 357 L HA -0.130 4.211 4.340 0.001 0.000 0.212 357 L C 0.170 176.734 176.870 -0.510 0.000 1.080 357 L CA 1.581 56.077 54.840 -0.574 0.000 0.754 357 L CB -0.200 41.395 42.059 -0.774 0.000 0.893 357 L HN -0.058 nan 8.230 nan 0.000 0.433 358 F N 0.028 119.864 119.950 -0.191 0.000 2.404 358 F HA 0.489 5.017 4.527 0.001 0.000 0.359 358 F C 1.509 177.177 175.800 -0.220 0.000 1.134 358 F CA 0.271 58.127 58.000 -0.240 0.000 1.160 358 F CB 0.538 39.396 39.000 -0.237 0.000 1.186 358 F HN 0.202 nan 8.300 nan 0.000 0.526 359 G N 1.583 110.325 108.800 -0.096 0.000 2.358 359 G HA2 -0.325 3.636 3.960 0.001 0.000 0.224 359 G HA3 -0.325 3.636 3.960 0.001 0.000 0.224 359 G C 1.093 176.091 174.900 0.164 0.000 1.073 359 G CA 0.416 45.477 45.100 -0.066 0.000 0.635 359 G HN 0.618 nan 8.290 nan 0.000 0.509 360 H N -0.932 118.143 119.070 0.008 0.000 2.283 360 H HA 0.072 4.629 4.556 0.001 0.000 0.320 360 H C 2.362 177.855 175.328 0.273 0.000 1.074 360 H CA 1.160 57.277 56.048 0.115 0.000 1.476 360 H CB -0.002 29.689 29.762 -0.119 0.000 1.465 360 H HN 0.385 nan 8.280 nan 0.000 0.573 361 W N 0.453 121.683 121.300 -0.116 0.000 2.378 361 W HA -0.124 4.537 4.660 0.001 0.000 0.313 361 W C 1.000 177.533 176.519 0.024 0.000 1.197 361 W CA -0.218 56.947 57.345 -0.301 0.000 1.304 361 W CB -1.354 27.908 29.460 -0.330 0.000 1.148 361 W HN 0.294 nan 8.180 nan 0.000 0.494 362 W N 1.898 123.217 121.300 0.031 0.000 2.288 362 W HA 0.245 4.906 4.660 0.001 0.000 0.325 362 W C 0.885 177.381 176.519 -0.040 0.000 1.019 362 W CA -2.322 54.978 57.345 -0.075 0.000 1.403 362 W CB -0.322 28.973 29.460 -0.276 0.000 1.226 362 W HN -0.134 nan 8.180 nan 0.000 0.391 363 F N 3.268 123.236 119.950 0.030 0.000 2.161 363 F HA -0.178 4.349 4.527 0.001 0.000 0.300 363 F C 1.506 177.114 175.800 -0.320 0.000 1.089 363 F CA 2.051 59.988 58.000 -0.106 0.000 1.282 363 F CB 0.124 39.079 39.000 -0.075 0.000 1.010 363 F HN 0.281 nan 8.300 nan 0.000 0.485 364 E N -0.285 119.512 120.200 -0.672 0.000 2.489 364 E HA 0.145 4.496 4.350 0.001 0.000 0.193 364 E C 2.216 178.097 176.600 -1.198 0.000 1.057 364 E CA 0.538 56.446 56.400 -0.821 0.000 0.866 364 E CB -0.569 28.822 29.700 -0.515 0.000 0.916 364 E HN 0.453 nan 8.360 nan 0.000 0.500 365 G N 0.432 108.299 108.800 -1.556 0.000 2.432 365 G HA2 -0.221 3.740 3.960 0.001 0.000 0.219 365 G HA3 -0.221 3.740 3.960 0.001 0.000 0.219 365 G C 1.607 176.212 174.900 -0.492 0.000 1.135 365 G CA 0.618 44.895 45.100 -1.372 0.000 0.767 365 G HN 0.223 nan 8.290 nan 0.000 0.550 366 V N 0.907 120.562 119.914 -0.431 0.000 2.295 366 V HA -0.165 3.956 4.120 0.001 0.000 0.246 366 V C 2.688 178.547 176.094 -0.391 0.000 1.049 366 V CA 2.305 64.370 62.300 -0.393 0.000 1.024 366 V CB -0.361 31.248 31.823 -0.355 0.000 0.648 366 V HN 0.507 nan 8.190 nan 0.000 0.447 367 K N -0.962 119.227 120.400 -0.351 0.000 2.057 367 K HA -0.278 4.043 4.320 0.001 0.000 0.207 367 K C 2.073 178.548 176.600 -0.208 0.000 1.049 367 K CA 2.136 58.270 56.287 -0.255 0.000 0.931 367 K CB -0.383 31.995 32.500 -0.203 0.000 0.714 367 K HN 0.565 nan 8.250 nan 0.000 0.440 368 W N 1.540 122.574 121.300 -0.443 0.000 2.358 368 W HA -0.243 4.418 4.660 0.001 0.000 0.303 368 W C 1.750 178.065 176.519 -0.340 0.000 1.208 368 W CA 1.329 58.467 57.345 -0.345 0.000 1.274 368 W CB -0.334 28.879 29.460 -0.413 0.000 1.138 368 W HN 0.207 nan 8.180 nan 0.000 0.515 369 L N 1.425 122.385 121.223 -0.439 0.000 2.017 369 L HA 0.036 4.377 4.340 0.001 0.000 0.208 369 L C 2.417 178.889 176.870 -0.664 0.000 1.073 369 L CA 2.804 57.152 54.840 -0.821 0.000 0.745 369 L CB -1.487 40.046 42.059 -0.876 0.000 0.894 369 L HN 0.108 nan 8.230 nan 0.000 0.432 370 G N -1.307 107.196 108.800 -0.495 0.000 2.422 370 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 370 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 370 G C 1.744 176.451 174.900 -0.321 0.000 1.140 370 G CA 0.736 45.595 45.100 -0.402 0.000 0.775 370 G HN 0.337 nan 8.290 nan 0.000 0.545 371 R N 0.305 120.619 120.500 -0.309 0.000 2.090 371 R HA 0.068 4.409 4.340 0.001 0.000 0.228 371 R C 2.581 178.744 176.300 -0.228 0.000 1.110 371 R CA 1.031 57.000 56.100 -0.219 0.000 0.973 371 R CB -0.879 29.322 30.300 -0.165 0.000 0.869 371 R HN 0.201 nan 8.270 nan 0.000 0.440 372 V N 0.872 120.541 119.914 -0.408 0.000 2.287 372 V HA -0.264 3.857 4.120 0.001 0.000 0.248 372 V C 2.277 178.332 176.094 -0.065 0.000 1.053 372 V CA 1.974 64.110 62.300 -0.274 0.000 1.027 372 V CB -0.474 31.034 31.823 -0.525 0.000 0.646 372 V HN 0.289 nan 8.190 nan 0.000 0.447 373 L N -0.523 120.630 121.223 -0.117 0.000 2.083 373 L HA -0.180 4.160 4.340 0.001 0.000 0.209 373 L C 2.576 179.471 176.870 0.042 0.000 1.083 373 L CA 1.594 56.427 54.840 -0.012 0.000 0.752 373 L CB -0.609 41.350 42.059 -0.166 0.000 0.899 373 L HN 0.403 nan 8.230 nan 0.000 0.433 374 E N 0.221 120.413 120.200 -0.013 0.000 2.028 374 E HA -0.209 4.142 4.350 0.001 0.000 0.191 374 E C 2.350 179.025 176.600 0.125 0.000 0.988 374 E CA 1.083 57.532 56.400 0.083 0.000 0.799 374 E CB -0.195 29.524 29.700 0.033 0.000 0.755 374 E HN 0.425 nan 8.360 nan 0.000 0.447 375 L N 0.801 122.060 121.223 0.060 0.000 2.079 375 L HA -0.226 4.115 4.340 0.001 0.000 0.210 375 L C 2.490 179.415 176.870 0.092 0.000 1.081 375 L CA 0.937 55.816 54.840 0.065 0.000 0.752 375 L CB -0.394 41.695 42.059 0.051 0.000 0.896 375 L HN 0.162 nan 8.230 nan 0.000 0.433 376 L N -1.890 119.407 121.223 0.124 0.000 2.093 376 L HA -0.245 4.096 4.340 0.001 0.000 0.208 376 L C 2.586 179.556 176.870 0.166 0.000 1.085 376 L CA 1.020 55.940 54.840 0.133 0.000 0.755 376 L CB -0.633 41.519 42.059 0.154 0.000 0.904 376 L HN 0.206 nan 8.230 nan 0.000 0.435 377 Y N 1.110 121.450 120.300 0.067 0.000 2.133 377 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 377 Y C 2.644 178.572 175.900 0.047 0.000 1.134 377 Y CA 1.548 59.690 58.100 0.069 0.000 1.133 377 Y CB -0.454 38.063 38.460 0.095 0.000 0.987 377 Y HN 0.162 nan 8.280 nan 0.000 0.502 378 Q N -0.331 119.418 119.800 -0.085 0.000 2.152 378 Q HA -0.199 4.142 4.340 0.001 0.000 0.206 378 Q C 1.754 177.684 176.000 -0.117 0.000 0.985 378 Q CA 1.546 57.252 55.803 -0.162 0.000 0.863 378 Q CB -0.122 28.590 28.738 -0.043 0.000 0.904 378 Q HN 0.327 nan 8.270 nan 0.000 0.422 379 R N -0.685 119.789 120.500 -0.044 0.000 2.317 379 R HA 0.104 4.445 4.340 0.001 0.000 0.208 379 R C 0.843 177.123 176.300 -0.034 0.000 0.914 379 R CA 0.710 56.793 56.100 -0.028 0.000 1.060 379 R CB 0.338 30.641 30.300 0.006 0.000 1.015 379 R HN 0.398 nan 8.270 nan 0.000 0.498 380 G N 1.190 109.960 108.800 -0.050 0.000 2.198 380 G HA2 -0.254 3.707 3.960 0.001 0.000 0.260 380 G HA3 -0.254 3.707 3.960 0.001 0.000 0.260 380 G C 0.019 174.906 174.900 -0.021 0.000 1.025 380 G CA 0.300 45.378 45.100 -0.037 0.000 0.769 380 G HN 0.167 nan 8.290 nan 0.000 0.507 381 V N 0.616 120.536 119.914 0.009 0.000 2.364 381 V HA 0.388 4.508 4.120 0.001 0.000 0.272 381 V C 0.794 176.906 176.094 0.031 0.000 1.036 381 V CA -0.553 61.739 62.300 -0.013 0.000 0.880 381 V CB 1.601 33.429 31.823 0.008 0.000 0.991 381 V HN 0.503 nan 8.190 nan 0.000 0.460 382 E N 3.249 123.430 120.200 -0.032 0.000 2.383 382 E HA 0.247 4.598 4.350 0.001 0.000 0.264 382 E C -0.058 176.633 176.600 0.150 0.000 1.050 382 E CA -0.217 56.226 56.400 0.072 0.000 0.896 382 E CB 0.877 30.605 29.700 0.047 0.000 0.982 382 E HN 0.800 nan 8.360 nan 0.000 0.424 383 T N 2.474 117.139 114.554 0.186 0.000 3.241 383 T HA 0.399 4.750 4.350 0.001 0.000 0.387 383 T C -2.571 172.217 174.700 0.146 0.000 1.451 383 T CA -1.816 60.386 62.100 0.171 0.000 1.363 383 T CB 0.974 69.971 68.868 0.215 0.000 1.074 383 T HN 0.237 nan 8.240 nan 0.000 0.598 384 P HA 0.288 nan 4.420 nan 0.000 0.281 384 P C 0.314 177.621 177.300 0.013 0.000 1.249 384 P CA -0.165 62.995 63.100 0.101 0.000 0.810 384 P CB 1.038 32.838 31.700 0.167 0.000 1.008 385 T N -0.391 114.168 114.554 0.007 0.000 2.913 385 T HA 0.219 4.570 4.350 0.001 0.000 0.297 385 T C 1.513 176.203 174.700 -0.017 0.000 1.029 385 T CA -0.601 61.494 62.100 -0.007 0.000 1.104 385 T CB 0.176 69.045 68.868 0.002 0.000 0.964 385 T HN 0.242 nan 8.240 nan 0.000 0.532 386 L N 1.433 122.601 121.223 -0.091 0.000 2.240 386 L HA -0.004 4.337 4.340 0.001 0.000 0.211 386 L C 3.013 179.841 176.870 -0.071 0.000 1.106 386 L CA 0.465 55.151 54.840 -0.257 0.000 0.793 386 L CB -0.571 41.036 42.059 -0.753 0.000 0.927 386 L HN 0.768 nan 8.230 nan 0.000 0.446 387 S N -0.053 115.690 115.700 0.072 0.000 2.348 387 S HA -0.210 4.261 4.470 0.001 0.000 0.221 387 S C 2.130 176.806 174.600 0.127 0.000 1.033 387 S CA 1.476 59.782 58.200 0.177 0.000 1.010 387 S CB -0.095 63.229 63.200 0.208 0.000 0.891 387 S HN 0.337 nan 8.310 nan 0.000 0.442 388 R N -0.473 120.086 120.500 0.098 0.000 2.090 388 R HA -0.028 4.313 4.340 0.001 0.000 0.228 388 R C 2.087 178.436 176.300 0.081 0.000 1.110 388 R CA 1.139 57.284 56.100 0.074 0.000 0.973 388 R CB -0.449 29.881 30.300 0.050 0.000 0.869 388 R HN 0.445 nan 8.270 nan 0.000 0.440 389 F N 1.269 121.193 119.950 -0.045 0.000 2.120 389 F HA -0.250 4.277 4.527 0.001 0.000 0.300 389 F C 1.604 177.412 175.800 0.012 0.000 1.095 389 F CA 1.679 59.630 58.000 -0.081 0.000 1.249 389 F CB -0.156 38.729 39.000 -0.192 0.000 0.995 389 F HN 0.007 nan 8.300 nan 0.000 0.480 390 L N -0.163 121.125 121.223 0.108 0.000 2.044 390 L HA -0.162 4.179 4.340 0.001 0.000 0.205 390 L C 2.448 179.360 176.870 0.071 0.000 1.075 390 L CA 1.572 56.461 54.840 0.081 0.000 0.747 390 L CB -0.755 41.400 42.059 0.160 0.000 0.903 390 L HN 0.141 nan 8.230 nan 0.000 0.435 391 E N 0.268 120.506 120.200 0.064 0.000 2.051 391 E HA -0.232 4.118 4.350 0.001 0.000 0.192 391 E C 1.628 178.232 176.600 0.008 0.000 0.991 391 E CA 1.290 57.719 56.400 0.048 0.000 0.799 391 E CB -0.031 29.698 29.700 0.049 0.000 0.748 391 E HN 0.518 nan 8.360 nan 0.000 0.449 392 E N -0.001 120.182 120.200 -0.028 0.000 2.494 392 E HA -0.051 4.300 4.350 0.001 0.000 0.193 392 E C -0.382 176.146 176.600 -0.119 0.000 1.074 392 E CA -0.280 56.083 56.400 -0.061 0.000 0.867 392 E CB -0.004 29.666 29.700 -0.049 0.000 0.924 392 E HN 0.197 nan 8.360 nan 0.000 0.502 393 Y N 1.700 121.824 120.300 -0.293 0.000 2.620 393 Y HA -0.086 4.465 4.550 0.001 0.000 0.330 393 Y C 0.987 176.765 175.900 -0.204 0.000 1.186 393 Y CA 0.112 57.991 58.100 -0.368 0.000 1.467 393 Y CB 0.663 38.939 38.460 -0.307 0.000 1.262 393 Y HN -0.099 nan 8.280 nan 0.000 0.550 394 S N 2.599 117.824 115.700 -0.792 0.000 2.960 394 S HA 0.350 4.821 4.470 0.001 0.000 0.256 394 S C 0.565 174.817 174.600 -0.580 0.000 1.017 394 S CA -0.131 57.751 58.200 -0.529 0.000 1.144 394 S CB -0.476 62.559 63.200 -0.274 0.000 1.109 394 S HN 0.889 nan 8.310 nan 0.000 0.638 395 G N 1.996 110.173 108.800 -1.039 0.000 2.683 395 G HA2 0.401 4.362 3.960 0.001 0.000 0.260 395 G HA3 0.401 4.362 3.960 0.001 0.000 0.260 395 G C -0.170 174.596 174.900 -0.224 0.000 1.238 395 G CA -0.613 44.197 45.100 -0.482 0.000 0.934 395 G HN 0.708 nan 8.290 nan 0.000 0.534 396 E N -0.423 119.775 120.200 -0.003 0.000 2.331 396 E HA 0.254 4.605 4.350 0.001 0.000 0.272 396 E C -0.522 176.148 176.600 0.117 0.000 1.036 396 E CA -0.549 55.841 56.400 -0.016 0.000 0.864 396 E CB 0.938 30.583 29.700 -0.092 0.000 1.035 396 E HN 0.223 nan 8.360 nan 0.000 0.408 397 K N 3.366 123.744 120.400 -0.036 0.000 2.315 397 K HA 0.110 4.431 4.320 0.001 0.000 0.291 397 K C -0.855 175.775 176.600 0.049 0.000 1.074 397 K CA -0.260 55.997 56.287 -0.051 0.000 0.936 397 K CB 0.040 32.157 32.500 -0.639 0.000 1.049 397 K HN 0.486 nan 8.250 nan 0.000 0.471 398 H N 1.571 120.750 119.070 0.181 0.000 2.683 398 H HA 0.101 4.658 4.556 0.001 0.000 0.339 398 H C 0.077 175.595 175.328 0.316 0.000 1.081 398 H CA 0.249 56.415 56.048 0.197 0.000 1.432 398 H CB 0.791 30.644 29.762 0.152 0.000 1.462 398 H HN 0.452 nan 8.280 nan 0.000 0.557 399 E N 2.013 122.418 120.200 0.341 0.000 2.232 399 E HA 0.572 4.923 4.350 0.001 0.000 0.265 399 E C -0.569 176.173 176.600 0.236 0.000 1.001 399 E CA -0.812 55.754 56.400 0.278 0.000 0.870 399 E CB 2.292 32.086 29.700 0.156 0.000 1.175 399 E HN 0.409 nan 8.360 nan 0.000 0.407 400 I N 0.317 120.969 120.570 0.137 0.000 3.004 400 I HA 0.222 4.393 4.170 0.001 0.000 0.305 400 I C -1.567 174.552 176.117 0.004 0.000 1.312 400 I CA -0.450 60.864 61.300 0.023 0.000 0.992 400 I CB 2.285 40.205 38.000 -0.133 0.000 1.282 400 I HN 0.452 nan 8.210 nan 0.000 0.449 401 E N 5.206 125.400 120.200 -0.010 0.000 2.191 401 E HA 0.497 4.848 4.350 0.001 0.000 0.263 401 E C -1.508 175.091 176.600 -0.001 0.000 0.881 401 E CA -0.658 55.755 56.400 0.020 0.000 0.757 401 E CB 2.168 31.895 29.700 0.046 0.000 1.147 401 E HN 0.373 nan 8.360 nan 0.000 0.414 402 L N 5.273 126.504 121.223 0.013 0.000 2.307 402 L HA 0.452 4.793 4.340 0.001 0.000 0.282 402 L C -1.932 175.039 176.870 0.168 0.000 1.051 402 L CA -1.891 52.940 54.840 -0.014 0.000 0.804 402 L CB 0.708 42.602 42.059 -0.275 0.000 1.197 402 L HN 0.323 nan 8.230 nan 0.000 0.431 403 P HA 0.117 nan 4.420 nan 0.000 0.276 403 P C -0.966 176.491 177.300 0.263 0.000 1.252 403 P CA -0.678 62.536 63.100 0.190 0.000 0.802 403 P CB 0.526 32.294 31.700 0.113 0.000 1.035 404 E N -0.037 120.309 120.200 0.244 0.000 2.438 404 E HA 0.443 4.794 4.350 0.001 0.000 0.261 404 E C 0.332 176.986 176.600 0.089 0.000 1.103 404 E CA -0.587 55.901 56.400 0.147 0.000 0.959 404 E CB -0.050 29.645 29.700 -0.008 0.000 0.958 404 E HN 0.718 nan 8.360 nan 0.000 0.447 405 G N 0.118 108.963 108.800 0.076 0.000 2.322 405 G HA2 0.422 4.383 3.960 0.001 0.000 0.295 405 G HA3 0.422 4.383 3.960 0.001 0.000 0.295 405 G C -1.152 173.850 174.900 0.170 0.000 1.369 405 G CA -0.335 44.803 45.100 0.064 0.000 0.821 405 G HN 1.046 nan 8.290 nan 0.000 0.536 406 S N -1.287 114.551 115.700 0.231 0.000 2.720 406 S HA 0.644 5.115 4.470 0.001 0.000 0.287 406 S C -0.112 174.729 174.600 0.401 0.000 1.168 406 S CA -0.013 58.370 58.200 0.305 0.000 0.832 406 S CB 1.491 64.988 63.200 0.495 0.000 1.166 406 S HN 2.048 nan 8.310 nan 0.000 0.493 407 W N 1.284 122.686 121.300 0.170 0.000 3.388 407 W HA 0.524 5.185 4.660 0.001 0.000 0.324 407 W C 0.302 176.929 176.519 0.180 0.000 1.250 407 W CA -0.750 56.679 57.345 0.140 0.000 1.809 407 W CB -1.554 27.963 29.460 0.096 0.000 1.083 407 W HN 0.852 nan 8.180 nan 0.000 0.685 408 G N 1.595 110.794 108.800 0.664 0.000 2.590 408 G HA2 0.321 4.282 3.960 0.001 0.000 0.276 408 G HA3 0.321 4.282 3.960 0.001 0.000 0.276 408 G C -0.147 174.932 174.900 0.299 0.000 1.337 408 G CA -0.088 45.411 45.100 0.664 0.000 1.030 408 G HN 0.429 nan 8.290 nan 0.000 0.534 409 A N -0.479 122.525 122.820 0.308 0.000 2.520 409 A HA 0.327 4.648 4.320 0.001 0.000 0.245 409 A C 1.193 178.845 177.584 0.114 0.000 1.072 409 A CA 0.534 52.653 52.037 0.137 0.000 0.761 409 A CB -0.220 18.829 19.000 0.082 0.000 1.004 409 A HN 0.958 nan 8.150 nan 0.000 0.499 410 N N 0.543 119.283 118.700 0.066 0.000 2.765 410 N HA -0.299 4.442 4.740 0.001 0.000 0.248 410 N C 0.544 176.105 175.510 0.084 0.000 1.063 410 N CA 1.858 54.944 53.050 0.061 0.000 0.862 410 N CB -1.559 36.955 38.487 0.044 0.000 1.145 410 N HN 1.878 nan 8.380 nan 0.000 0.581 411 S N -1.752 114.026 115.700 0.131 0.000 3.473 411 S HA -0.279 4.192 4.470 0.001 0.000 0.339 411 S C -0.025 174.658 174.600 0.138 0.000 1.148 411 S CA 1.955 60.254 58.200 0.164 0.000 0.969 411 S CB -1.703 61.571 63.200 0.122 0.000 0.936 411 S HN 0.786 nan 8.310 nan 0.000 0.530 412 D N -0.551 119.942 120.400 0.155 0.000 2.808 412 D HA 0.438 5.078 4.640 0.001 0.000 0.249 412 D C 0.623 177.079 176.300 0.260 0.000 1.151 412 D CA -0.498 53.522 54.000 0.035 0.000 1.089 412 D CB -0.237 40.550 40.800 -0.021 0.000 1.295 412 D HN 0.197 nan 8.370 nan 0.000 0.631 413 H N -0.963 118.319 119.070 0.354 0.000 2.551 413 H HA 0.186 4.743 4.556 0.001 0.000 0.271 413 H C 1.771 177.334 175.328 0.391 0.000 0.984 413 H CA 0.778 57.112 56.048 0.477 0.000 1.164 413 H CB -0.102 29.918 29.762 0.430 0.000 1.437 413 H HN 0.439 nan 8.280 nan 0.000 0.550 414 S N 0.639 116.508 115.700 0.281 0.000 2.378 414 S HA -0.237 4.234 4.470 0.001 0.000 0.229 414 S C 2.012 176.607 174.600 -0.008 0.000 1.052 414 S CA 2.032 60.297 58.200 0.108 0.000 1.084 414 S CB -1.029 62.187 63.200 0.027 0.000 0.950 414 S HN 0.334 nan 8.310 nan 0.000 0.440 415 T N 0.050 114.468 114.554 -0.227 0.000 2.848 415 T HA -0.103 4.248 4.350 0.001 0.000 0.269 415 T C 1.055 175.245 174.700 -0.851 0.000 1.081 415 T CA 1.495 63.141 62.100 -0.756 0.000 1.125 415 T CB -0.426 67.646 68.868 -1.328 0.000 0.848 415 T HN 0.667 nan 8.240 nan 0.000 0.503 416 W N -2.196 119.135 121.300 0.051 0.000 2.835 416 W HA 0.337 4.997 4.660 0.001 0.000 0.278 416 W C 0.150 176.838 176.519 0.282 0.000 1.075 416 W CA -0.993 56.379 57.345 0.046 0.000 1.439 416 W CB 0.329 29.581 29.460 -0.346 0.000 0.927 416 W HN 0.122 nan 8.180 nan 0.000 0.604 417 W N 5.418 126.847 121.300 0.216 0.000 2.338 417 W HA 0.288 4.949 4.660 0.002 0.000 0.315 417 W C -0.288 176.299 176.519 0.114 0.000 1.005 417 W CA -1.163 56.277 57.345 0.158 0.000 1.380 417 W CB -0.209 29.280 29.460 0.049 0.000 1.235 417 W HN 0.010 nan 8.180 nan 0.000 0.409 418 N N 1.447 120.435 118.700 0.480 0.000 3.449 418 N HA 0.150 4.891 4.740 0.001 0.000 0.312 418 N C 0.072 175.733 175.510 0.251 0.000 1.582 418 N CA -0.634 52.553 53.050 0.228 0.000 0.850 418 N CB 1.497 40.042 38.487 0.097 0.000 1.822 418 N HN 0.223 nan 8.380 nan 0.000 0.577 419 E N 0.047 120.340 120.200 0.154 0.000 2.072 419 E HA -0.124 4.227 4.350 0.001 0.000 0.191 419 E C 1.024 177.743 176.600 0.199 0.000 0.985 419 E CA 1.228 57.725 56.400 0.160 0.000 0.801 419 E CB 0.109 29.866 29.700 0.095 0.000 0.750 419 E HN 0.436 nan 8.360 nan 0.000 0.452 420 E N -0.491 119.810 120.200 0.167 0.000 2.268 420 E HA -0.132 4.219 4.350 0.001 0.000 0.195 420 E C 1.921 178.704 176.600 0.306 0.000 0.995 420 E CA 1.597 58.116 56.400 0.199 0.000 0.836 420 E CB 0.087 29.856 29.700 0.115 0.000 0.763 420 E HN 0.398 nan 8.360 nan 0.000 0.491 421 T N -2.782 111.914 114.554 0.236 0.000 3.010 421 T HA 0.071 4.421 4.350 0.001 0.000 0.257 421 T C 1.619 176.349 174.700 0.050 0.000 1.020 421 T CA 0.257 62.410 62.100 0.089 0.000 0.938 421 T CB 0.368 69.296 68.868 0.101 0.000 1.049 421 T HN 0.110 nan 8.240 nan 0.000 0.522 422 E N 1.575 121.950 120.200 0.292 0.000 2.171 422 E HA -0.198 4.153 4.350 0.001 0.000 0.197 422 E C 1.914 178.644 176.600 0.215 0.000 0.997 422 E CA 1.821 58.433 56.400 0.353 0.000 0.810 422 E CB -0.508 29.422 29.700 0.382 0.000 0.738 422 E HN 0.840 nan 8.360 nan 0.000 0.467 423 W N 1.578 122.955 121.300 0.129 0.000 2.468 423 W HA -0.117 4.544 4.660 0.001 0.000 0.262 423 W C 1.551 178.119 176.519 0.081 0.000 1.241 423 W CA 1.559 58.964 57.345 0.101 0.000 1.232 423 W CB -1.194 28.315 29.460 0.082 0.000 1.124 423 W HN 0.149 nan 8.180 nan 0.000 0.597 424 T N -2.777 111.217 114.554 -0.933 0.000 2.896 424 T HA -0.186 4.165 4.350 0.001 0.000 0.263 424 T C 1.582 175.875 174.700 -0.678 0.000 1.050 424 T CA 1.269 62.731 62.100 -1.064 0.000 1.140 424 T CB -1.087 66.974 68.868 -1.346 0.000 0.877 424 T HN 0.229 nan 8.240 nan 0.000 0.457 425 W N 2.357 123.397 121.300 -0.432 0.000 2.335 425 W HA 0.071 4.732 4.660 0.002 0.000 0.311 425 W C -0.767 175.285 176.519 -0.780 0.000 1.213 425 W CA 0.751 57.665 57.345 -0.719 0.000 1.274 425 W CB -1.575 27.441 29.460 -0.741 0.000 1.148 425 W HN 0.332 nan 8.180 nan 0.000 0.498 426 P HA -0.209 nan 4.420 nan 0.000 0.216 426 P C 1.233 178.491 177.300 -0.070 0.000 1.150 426 P CA 1.871 64.939 63.100 -0.053 0.000 0.837 426 P CB -0.251 31.452 31.700 0.005 0.000 0.786 427 H N -0.938 118.071 119.070 -0.102 0.000 2.321 427 H HA -0.048 4.509 4.556 0.001 0.000 0.300 427 H C 2.104 177.365 175.328 -0.112 0.000 1.087 427 H CA 1.218 57.231 56.048 -0.059 0.000 1.319 427 H CB -0.639 29.074 29.762 -0.082 0.000 1.379 427 H HN 0.139 nan 8.280 nan 0.000 0.501 428 I N 0.506 121.015 120.570 -0.102 0.000 2.142 428 I HA -0.321 3.850 4.170 0.001 0.000 0.240 428 I C 2.324 178.464 176.117 0.038 0.000 1.078 428 I CA 1.230 62.460 61.300 -0.117 0.000 1.343 428 I CB -0.459 37.414 38.000 -0.211 0.000 1.046 428 I HN 0.130 nan 8.210 nan 0.000 0.405 429 Y N 0.578 120.910 120.300 0.053 0.000 2.207 429 Y HA -0.229 4.322 4.550 0.001 0.000 0.287 429 Y C 2.710 178.613 175.900 0.005 0.000 1.156 429 Y CA 1.104 59.224 58.100 0.033 0.000 1.182 429 Y CB -1.116 37.375 38.460 0.052 0.000 0.979 429 Y HN 0.128 nan 8.280 nan 0.000 0.521 430 R N 0.158 120.758 120.500 0.166 0.000 2.075 430 R HA -0.097 4.244 4.340 0.001 0.000 0.232 430 R C 2.405 178.764 176.300 0.098 0.000 1.126 430 R CA 1.234 57.415 56.100 0.135 0.000 0.963 430 R CB -0.357 30.015 30.300 0.119 0.000 0.858 430 R HN 0.259 nan 8.270 nan 0.000 0.435 431 A N 0.686 123.461 122.820 -0.075 0.000 1.930 431 A HA -0.161 4.160 4.320 0.001 0.000 0.217 431 A C 1.863 179.132 177.584 -0.524 0.000 1.175 431 A CA 1.464 53.130 52.037 -0.618 0.000 0.627 431 A CB -0.358 18.020 19.000 -1.037 0.000 0.815 431 A HN 0.473 nan 8.150 nan 0.000 0.443 432 E N 0.000 120.070 120.200 -0.217 0.000 2.017 432 E HA -0.196 4.155 4.350 0.001 0.000 0.193 432 E C 1.604 178.195 176.600 -0.015 0.000 0.997 432 E CA 1.219 57.566 56.400 -0.088 0.000 0.804 432 E CB -0.253 29.477 29.700 0.049 0.000 0.757 432 E HN 0.508 nan 8.360 nan 0.000 0.448 433 D N 0.287 120.707 120.400 0.034 0.000 2.126 433 D HA -0.211 4.430 4.640 0.001 0.000 0.190 433 D C 1.915 178.264 176.300 0.082 0.000 1.001 433 D CA 1.162 55.197 54.000 0.059 0.000 0.841 433 D CB -0.283 40.559 40.800 0.071 0.000 0.949 433 D HN 0.035 nan 8.370 nan 0.000 0.446 434 R N -0.501 120.075 120.500 0.127 0.000 2.115 434 R HA -0.095 4.246 4.340 0.001 0.000 0.230 434 R C 2.143 178.578 176.300 0.224 0.000 1.111 434 R CA 0.949 57.180 56.100 0.219 0.000 0.976 434 R CB -0.151 30.387 30.300 0.396 0.000 0.870 434 R HN 0.085 nan 8.270 nan 0.000 0.445 435 M N -0.013 119.691 119.600 0.174 0.000 2.117 435 M HA -0.117 4.364 4.480 0.001 0.000 0.262 435 M C 1.752 178.046 176.300 -0.010 0.000 1.065 435 M CA 1.591 56.942 55.300 0.084 0.000 1.114 435 M CB -0.041 32.426 32.600 -0.223 0.000 1.361 435 M HN -0.007 nan 8.290 nan 0.000 0.408 436 V N 0.478 120.408 119.914 0.026 0.000 2.358 436 V HA -0.216 3.904 4.120 0.001 0.000 0.246 436 V C 2.603 178.727 176.094 0.049 0.000 1.047 436 V CA 1.710 64.059 62.300 0.081 0.000 1.035 436 V CB -1.854 30.031 31.823 0.103 0.000 0.658 436 V HN 0.632 nan 8.190 nan 0.000 0.452 437 A N 0.219 123.065 122.820 0.043 0.000 1.865 437 A HA -0.208 4.113 4.320 0.001 0.000 0.217 437 A C 2.204 179.767 177.584 -0.036 0.000 1.191 437 A CA 2.154 54.194 52.037 0.005 0.000 0.623 437 A CB -0.583 18.439 19.000 0.037 0.000 0.826 437 A HN 0.493 nan 8.150 nan 0.000 0.444 438 I N -0.473 120.129 120.570 0.054 0.000 2.179 438 I HA -0.211 3.960 4.170 0.001 0.000 0.242 438 I C 2.337 178.500 176.117 0.077 0.000 1.088 438 I CA 1.325 62.697 61.300 0.119 0.000 1.357 438 I CB -0.392 37.721 38.000 0.188 0.000 1.051 438 I HN 0.168 nan 8.210 nan 0.000 0.409 439 V N 0.165 120.117 119.914 0.063 0.000 2.379 439 V HA -0.200 3.920 4.120 0.001 0.000 0.245 439 V C 2.500 178.618 176.094 0.041 0.000 1.044 439 V CA 1.892 64.243 62.300 0.085 0.000 1.036 439 V CB -0.464 31.434 31.823 0.125 0.000 0.664 439 V HN 0.359 nan 8.190 nan 0.000 0.453 440 S N -0.186 115.516 115.700 0.003 0.000 2.368 440 S HA -0.163 4.308 4.470 0.001 0.000 0.225 440 S C 2.116 176.644 174.600 -0.121 0.000 1.030 440 S CA 1.195 59.376 58.200 -0.032 0.000 0.999 440 S CB -0.272 62.909 63.200 -0.030 0.000 0.844 440 S HN 0.460 nan 8.310 nan 0.000 0.459 441 R N 0.005 120.327 120.500 -0.297 0.000 2.075 441 R HA 0.118 4.459 4.340 0.001 0.000 0.226 441 R C 1.074 177.090 176.300 -0.473 0.000 1.114 441 R CA 1.045 56.778 56.100 -0.612 0.000 0.972 441 R CB -0.389 29.088 30.300 -1.371 0.000 0.869 441 R HN 0.461 nan 8.270 nan 0.000 0.437 442 F N -0.164 119.813 119.950 0.044 0.000 2.706 442 F HA 0.314 4.842 4.527 0.002 0.000 0.313 442 F C 1.003 176.826 175.800 0.037 0.000 1.096 442 F CA -0.787 57.239 58.000 0.042 0.000 1.219 442 F CB -0.087 38.940 39.000 0.045 0.000 1.051 442 F HN -0.227 nan 8.300 nan 0.000 0.568 443 R N 0.761 121.365 120.500 0.174 0.000 2.585 443 R HA 0.320 4.661 4.340 0.001 0.000 0.275 443 R C 1.307 177.670 176.300 0.105 0.000 1.018 443 R CA 1.423 57.597 56.100 0.123 0.000 1.072 443 R CB 0.053 30.409 30.300 0.094 0.000 0.953 443 R HN 0.533 nan 8.270 nan 0.000 0.419 444 G N 3.340 112.192 108.800 0.085 0.000 2.234 444 G HA2 -0.334 3.627 3.960 0.001 0.000 0.235 444 G HA3 -0.334 3.627 3.960 0.001 0.000 0.235 444 G C 0.958 175.900 174.900 0.070 0.000 0.997 444 G CA 0.392 45.533 45.100 0.067 0.000 0.623 444 G HN 0.716 nan 8.290 nan 0.000 0.514 445 R N 1.293 121.851 120.500 0.096 0.000 2.148 445 R HA -0.066 4.274 4.340 0.001 0.000 0.230 445 R C 1.105 177.445 176.300 0.066 0.000 1.120 445 R CA 2.704 58.861 56.100 0.095 0.000 0.902 445 R CB -0.288 30.082 30.300 0.118 0.000 0.839 445 R HN 0.647 nan 8.270 nan 0.000 0.431 446 D N -3.259 117.173 120.400 0.054 0.000 2.677 446 D HA -0.036 4.605 4.640 0.001 0.000 0.298 446 D C 0.195 176.493 176.300 -0.004 0.000 1.250 446 D CA -0.491 53.529 54.000 0.034 0.000 0.888 446 D CB 0.588 41.422 40.800 0.057 0.000 1.397 446 D HN 0.161 nan 8.370 nan 0.000 0.461 447 E N -0.668 119.523 120.200 -0.015 0.000 2.097 447 E HA -0.236 4.115 4.350 0.001 0.000 0.196 447 E C 1.879 178.421 176.600 -0.096 0.000 1.000 447 E CA 1.389 57.766 56.400 -0.038 0.000 0.804 447 E CB -0.097 29.587 29.700 -0.026 0.000 0.740 447 E HN 0.327 nan 8.360 nan 0.000 0.454 448 L N 0.622 121.747 121.223 -0.162 0.000 2.056 448 L HA -0.113 4.228 4.340 0.001 0.000 0.207 448 L C 2.246 178.880 176.870 -0.392 0.000 1.078 448 L CA 2.229 56.869 54.840 -0.334 0.000 0.749 448 L CB -0.806 40.919 42.059 -0.557 0.000 0.901 448 L HN 0.134 nan 8.230 nan 0.000 0.433 449 T N -0.085 114.286 114.554 -0.306 0.000 2.788 449 T HA -0.114 4.237 4.350 0.001 0.000 0.268 449 T C 1.726 176.351 174.700 -0.124 0.000 1.044 449 T CA 1.410 63.371 62.100 -0.232 0.000 1.139 449 T CB -0.303 68.519 68.868 -0.076 0.000 0.867 449 T HN 0.347 nan 8.240 nan 0.000 0.454 450 N N 0.990 119.643 118.700 -0.077 0.000 2.106 450 N HA -0.030 4.710 4.740 0.001 0.000 0.188 450 N C 1.947 177.434 175.510 -0.039 0.000 1.029 450 N CA 0.866 53.899 53.050 -0.027 0.000 0.848 450 N CB -0.342 38.140 38.487 -0.007 0.000 1.007 450 N HN 0.403 nan 8.380 nan 0.000 0.423 451 R N 1.006 121.462 120.500 -0.074 0.000 2.096 451 R HA -0.092 4.249 4.340 0.001 0.000 0.240 451 R C 1.783 178.041 176.300 -0.071 0.000 1.139 451 R CA 1.425 57.485 56.100 -0.066 0.000 0.952 451 R CB -0.380 29.866 30.300 -0.090 0.000 0.854 451 R HN -0.027 nan 8.270 nan 0.000 0.436 452 V N 1.367 121.196 119.914 -0.142 0.000 2.343 452 V HA -0.259 3.862 4.120 0.001 0.000 0.247 452 V C 2.417 178.478 176.094 -0.056 0.000 1.051 452 V CA 1.998 64.229 62.300 -0.115 0.000 1.036 452 V CB -0.400 31.287 31.823 -0.227 0.000 0.654 452 V HN 0.360 nan 8.190 nan 0.000 0.451 453 I N -0.122 120.422 120.570 -0.043 0.000 2.264 453 I HA -0.269 3.902 4.170 0.001 0.000 0.248 453 I C 2.533 178.668 176.117 0.030 0.000 1.111 453 I CA 1.657 62.958 61.300 0.002 0.000 1.382 453 I CB -0.390 37.633 38.000 0.039 0.000 1.060 453 I HN 0.400 nan 8.210 nan 0.000 0.418 454 E N 0.155 120.376 120.200 0.034 0.000 2.077 454 E HA -0.311 4.040 4.350 0.001 0.000 0.193 454 E C 2.107 178.749 176.600 0.070 0.000 0.989 454 E CA 1.253 57.690 56.400 0.063 0.000 0.800 454 E CB -0.100 29.632 29.700 0.053 0.000 0.746 454 E HN 0.339 nan 8.360 nan 0.000 0.452 455 Q N 0.771 120.597 119.800 0.044 0.000 2.172 455 Q HA -0.053 4.288 4.340 0.001 0.000 0.200 455 Q C 1.938 177.971 176.000 0.055 0.000 0.964 455 Q CA 0.946 56.779 55.803 0.051 0.000 0.855 455 Q CB -0.050 28.712 28.738 0.039 0.000 0.918 455 Q HN 0.276 nan 8.270 nan 0.000 0.444 456 L N -0.402 120.832 121.223 0.018 0.000 2.046 456 L HA -0.173 4.168 4.340 0.001 0.000 0.208 456 L C 2.306 179.276 176.870 0.166 0.000 1.077 456 L CA 1.136 55.984 54.840 0.013 0.000 0.747 456 L CB -0.669 41.322 42.059 -0.113 0.000 0.896 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 A N 0.039 122.930 122.820 0.118 0.000 1.902 457 A HA -0.203 4.118 4.320 0.001 0.000 0.217 457 A C 2.352 180.039 177.584 0.172 0.000 1.181 457 A CA 1.402 53.528 52.037 0.148 0.000 0.623 457 A CB -0.447 18.674 19.000 0.202 0.000 0.818 457 A HN 0.316 nan 8.150 nan 0.000 0.443 458 R N -0.331 120.270 120.500 0.169 0.000 2.083 458 R HA -0.141 4.200 4.340 0.001 0.000 0.237 458 R C 2.099 178.463 176.300 0.107 0.000 1.137 458 R CA 1.493 57.694 56.100 0.168 0.000 0.951 458 R CB -0.377 29.983 30.300 0.100 0.000 0.851 458 R HN 0.527 nan 8.270 nan 0.000 0.434 459 E N 0.920 121.204 120.200 0.140 0.000 2.051 459 E HA -0.208 4.143 4.350 0.001 0.000 0.192 459 E C 2.071 178.756 176.600 0.141 0.000 0.991 459 E CA 0.938 57.444 56.400 0.177 0.000 0.799 459 E CB -0.399 29.479 29.700 0.296 0.000 0.748 459 E HN 0.181 nan 8.360 nan 0.000 0.449 460 L N 0.842 122.162 121.223 0.162 0.000 2.046 460 L HA -0.144 4.197 4.340 0.001 0.000 0.208 460 L C 2.301 179.184 176.870 0.021 0.000 1.077 460 L CA 1.352 56.177 54.840 -0.026 0.000 0.747 460 L CB -0.410 41.574 42.059 -0.124 0.000 0.896 460 L HN 0.048 nan 8.230 nan 0.000 0.432 461 L N -1.084 120.188 121.223 0.081 0.000 2.027 461 L HA -0.211 4.130 4.340 0.001 0.000 0.206 461 L C 2.470 179.400 176.870 0.100 0.000 1.074 461 L CA 1.480 56.376 54.840 0.093 0.000 0.745 461 L CB -0.452 41.680 42.059 0.121 0.000 0.898 461 L HN 0.251 nan 8.230 nan 0.000 0.433 462 I N -0.691 119.914 120.570 0.059 0.000 2.179 462 I HA -0.313 3.858 4.170 0.001 0.000 0.242 462 I C 2.467 178.687 176.117 0.171 0.000 1.088 462 I CA 0.860 62.172 61.300 0.021 0.000 1.357 462 I CB -0.316 37.476 38.000 -0.347 0.000 1.051 462 I HN 0.201 nan 8.210 nan 0.000 0.409 463 L N 1.044 122.308 121.223 0.067 0.000 2.103 463 L HA -0.280 4.061 4.340 0.001 0.000 0.215 463 L C 2.216 179.189 176.870 0.171 0.000 1.080 463 L CA 1.986 56.910 54.840 0.140 0.000 0.764 463 L CB -0.752 41.318 42.059 0.018 0.000 0.890 463 L HN 0.275 nan 8.230 nan 0.000 0.435 464 E N -0.434 119.817 120.200 0.085 0.000 2.427 464 E HA 0.116 4.467 4.350 0.001 0.000 0.196 464 E C 0.949 177.545 176.600 -0.007 0.000 1.028 464 E CA 0.296 56.709 56.400 0.022 0.000 0.864 464 E CB -0.148 29.565 29.700 0.021 0.000 0.813 464 E HN 0.586 nan 8.360 nan 0.000 0.514 465 A N 1.649 124.451 122.820 -0.032 0.000 2.591 465 A HA -0.082 4.239 4.320 0.001 0.000 0.244 465 A C 1.480 178.904 177.584 -0.268 0.000 1.031 465 A CA 0.723 52.612 52.037 -0.246 0.000 0.767 465 A CB 0.047 18.652 19.000 -0.659 0.000 0.942 465 A HN 0.286 nan 8.150 nan 0.000 0.514 466 S N 1.408 117.091 115.700 -0.030 0.000 2.507 466 S HA -0.137 4.334 4.470 0.001 0.000 0.235 466 S C 0.878 175.614 174.600 0.226 0.000 0.988 466 S CA 1.367 59.656 58.200 0.147 0.000 0.944 466 S CB -0.455 62.851 63.200 0.178 0.000 0.762 466 S HN 0.743 nan 8.310 nan 0.000 0.526 467 D N 1.603 121.984 120.400 -0.032 0.000 2.133 467 D HA -0.125 4.516 4.640 0.001 0.000 0.195 467 D C 1.404 177.734 176.300 0.049 0.000 0.997 467 D CA 1.736 55.688 54.000 -0.080 0.000 0.840 467 D CB -0.434 40.097 40.800 -0.449 0.000 0.947 467 D HN 0.677 nan 8.370 nan 0.000 0.452 468 W N 0.863 122.262 121.300 0.165 0.000 2.335 468 W HA -0.190 4.471 4.660 0.002 0.000 0.311 468 W C 2.580 179.111 176.519 0.020 0.000 1.213 468 W CA 0.087 57.464 57.345 0.053 0.000 1.274 468 W CB -0.417 28.999 29.460 -0.075 0.000 1.148 468 W HN -0.038 nan 8.180 nan 0.000 0.498 469 Q N -0.129 119.788 119.800 0.194 0.000 2.050 469 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 469 Q C 1.964 178.015 176.000 0.085 0.000 0.980 469 Q CA 1.977 57.847 55.803 0.112 0.000 0.840 469 Q CB -1.097 27.758 28.738 0.194 0.000 0.898 469 Q HN 0.325 nan 8.270 nan 0.000 0.424 470 F N 0.664 120.625 119.950 0.019 0.000 2.065 470 F HA -0.233 4.295 4.527 0.001 0.000 0.298 470 F C 1.592 177.322 175.800 -0.117 0.000 1.112 470 F CA 1.486 59.404 58.000 -0.137 0.000 1.212 470 F CB -0.185 38.828 39.000 0.022 0.000 0.975 470 F HN 0.022 nan 8.300 nan 0.000 0.476 471 L N -0.475 120.798 121.223 0.085 0.000 2.201 471 L HA -0.180 4.161 4.340 0.001 0.000 0.212 471 L C 2.325 179.164 176.870 -0.051 0.000 1.105 471 L CA 0.868 55.714 54.840 0.010 0.000 0.775 471 L CB -0.479 41.723 42.059 0.238 0.000 0.913 471 L HN 0.247 nan 8.230 nan 0.000 0.440 472 I N -0.975 119.592 120.570 -0.004 0.000 2.235 472 I HA -0.219 3.951 4.170 0.001 0.000 0.241 472 I C 2.492 178.557 176.117 -0.087 0.000 1.085 472 I CA 1.218 62.526 61.300 0.013 0.000 1.378 472 I CB -0.375 37.684 38.000 0.097 0.000 1.076 472 I HN 0.109 nan 8.210 nan 0.000 0.415 473 T N 0.074 114.526 114.554 -0.171 0.000 2.665 473 T HA -0.207 4.144 4.350 0.001 0.000 0.268 473 T C 1.784 176.303 174.700 -0.303 0.000 1.035 473 T CA 2.254 64.212 62.100 -0.238 0.000 1.151 473 T CB -0.477 68.182 68.868 -0.349 0.000 0.862 473 T HN 0.538 nan 8.240 nan 0.000 0.438 474 T N -1.410 112.867 114.554 -0.461 0.000 3.100 474 T HA 0.367 4.718 4.350 0.001 0.000 0.253 474 T C 1.823 176.356 174.700 -0.277 0.000 1.118 474 T CA 0.837 62.659 62.100 -0.464 0.000 1.058 474 T CB -0.170 68.235 68.868 -0.771 0.000 0.953 474 T HN 0.541 nan 8.240 nan 0.000 0.515 475 G N 1.329 110.007 108.800 -0.203 0.000 2.189 475 G HA2 -0.367 3.593 3.960 0.001 0.000 0.267 475 G HA3 -0.367 3.593 3.960 0.001 0.000 0.267 475 G C 0.837 175.682 174.900 -0.092 0.000 0.975 475 G CA 0.639 45.673 45.100 -0.109 0.000 0.644 475 G HN 0.553 nan 8.290 nan 0.000 0.537 476 Q N -0.646 119.067 119.800 -0.146 0.000 2.096 476 Q HA 0.173 4.513 4.340 0.001 0.000 0.204 476 Q C 1.731 177.636 176.000 -0.158 0.000 0.982 476 Q CA 1.665 57.402 55.803 -0.112 0.000 0.850 476 Q CB -0.055 28.599 28.738 -0.141 0.000 0.901 476 Q HN 1.321 nan 8.270 nan 0.000 0.422 477 A N -0.310 122.406 122.820 -0.174 0.000 3.464 477 A HA 0.180 4.501 4.320 0.001 0.000 0.243 477 A C 0.335 177.914 177.584 -0.008 0.000 1.100 477 A CA -0.445 51.412 52.037 -0.301 0.000 0.957 477 A CB 0.279 18.851 19.000 -0.713 0.000 1.340 477 A HN 0.055 nan 8.150 nan 0.000 0.645 478 K N 0.234 120.650 120.400 0.027 0.000 2.026 478 K HA -0.142 4.179 4.320 0.001 0.000 0.208 478 K C 1.465 178.127 176.600 0.104 0.000 1.048 478 K CA 1.742 58.071 56.287 0.070 0.000 0.929 478 K CB 0.110 32.637 32.500 0.044 0.000 0.713 478 K HN 0.542 nan 8.250 nan 0.000 0.439 479 E N -0.124 120.139 120.200 0.105 0.000 2.072 479 E HA -0.207 4.144 4.350 0.001 0.000 0.191 479 E C 1.801 178.471 176.600 0.115 0.000 0.985 479 E CA 1.037 57.495 56.400 0.096 0.000 0.801 479 E CB -0.538 29.219 29.700 0.095 0.000 0.750 479 E HN 0.403 nan 8.360 nan 0.000 0.452 480 Y N 1.488 121.816 120.300 0.045 0.000 2.128 480 Y HA -0.227 4.323 4.550 0.001 0.000 0.284 480 Y C 2.301 178.201 175.900 -0.001 0.000 1.154 480 Y CA 1.946 60.069 58.100 0.039 0.000 1.149 480 Y CB -0.371 38.124 38.460 0.058 0.000 0.976 480 Y HN 0.024 nan 8.280 nan 0.000 0.505 481 A N 0.363 123.260 122.820 0.128 0.000 1.933 481 A HA -0.205 4.115 4.320 0.001 0.000 0.218 481 A C 2.272 179.804 177.584 -0.088 0.000 1.175 481 A CA 1.830 53.905 52.037 0.065 0.000 0.628 481 A CB -0.788 18.415 19.000 0.337 0.000 0.814 481 A HN 0.578 nan 8.150 nan 0.000 0.444 482 K N -0.235 120.195 120.400 0.051 0.000 2.026 482 K HA -0.187 4.134 4.320 0.001 0.000 0.208 482 K C 2.269 178.861 176.600 -0.013 0.000 1.048 482 K CA 1.626 58.015 56.287 0.171 0.000 0.929 482 K CB -0.260 32.322 32.500 0.137 0.000 0.713 482 K HN 0.388 nan 8.250 nan 0.000 0.439 483 R N 0.114 120.530 120.500 -0.140 0.000 2.081 483 R HA -0.077 4.263 4.340 0.001 0.000 0.235 483 R C 2.295 178.381 176.300 -0.356 0.000 1.131 483 R CA 1.248 57.222 56.100 -0.210 0.000 0.960 483 R CB 0.006 30.190 30.300 -0.192 0.000 0.856 483 R HN 0.150 nan 8.270 nan 0.000 0.436 484 R N 0.110 120.253 120.500 -0.594 0.000 2.081 484 R HA -0.091 4.250 4.340 0.001 0.000 0.235 484 R C 2.273 178.186 176.300 -0.645 0.000 1.131 484 R CA 1.224 56.840 56.100 -0.808 0.000 0.960 484 R CB -0.985 28.397 30.300 -1.531 0.000 0.856 484 R HN 0.185 nan 8.270 nan 0.000 0.436 485 V N 1.786 121.340 119.914 -0.601 0.000 2.255 485 V HA -0.240 3.881 4.120 0.001 0.000 0.247 485 V C 2.558 178.488 176.094 -0.272 0.000 1.051 485 V CA 1.737 63.788 62.300 -0.415 0.000 1.018 485 V CB -0.539 31.028 31.823 -0.426 0.000 0.641 485 V HN 0.180 nan 8.190 nan 0.000 0.445 486 L N -0.877 120.220 121.223 -0.210 0.000 2.056 486 L HA -0.159 4.182 4.340 0.001 0.000 0.207 486 L C 2.333 179.138 176.870 -0.110 0.000 1.078 486 L CA 1.560 56.322 54.840 -0.130 0.000 0.749 486 L CB -0.477 41.538 42.059 -0.073 0.000 0.901 486 L HN 0.259 nan 8.230 nan 0.000 0.433 487 I N -1.056 119.387 120.570 -0.211 0.000 2.179 487 I HA -0.317 3.853 4.170 0.001 0.000 0.242 487 I C 2.603 178.580 176.117 -0.233 0.000 1.088 487 I CA 1.214 62.363 61.300 -0.252 0.000 1.357 487 I CB -0.510 37.266 38.000 -0.374 0.000 1.051 487 I HN 0.323 nan 8.210 nan 0.000 0.409 488 H N -0.714 118.331 119.070 -0.042 0.000 2.428 488 H HA -0.054 4.503 4.556 0.001 0.000 0.296 488 H C 2.535 177.903 175.328 0.067 0.000 1.062 488 H CA 1.434 57.493 56.048 0.018 0.000 1.350 488 H CB -0.206 29.549 29.762 -0.012 0.000 1.403 488 H HN 0.253 nan 8.280 nan 0.000 0.533 489 S N 0.515 116.294 115.700 0.131 0.000 2.356 489 S HA -0.152 4.319 4.470 0.001 0.000 0.223 489 S C 2.303 177.074 174.600 0.285 0.000 1.032 489 S CA 0.914 59.243 58.200 0.215 0.000 1.005 489 S CB 0.084 63.460 63.200 0.294 0.000 0.867 489 S HN 0.304 nan 8.310 nan 0.000 0.449 490 R N 0.807 121.415 120.500 0.180 0.000 2.073 490 R HA -0.093 4.248 4.340 0.001 0.000 0.234 490 R C 1.354 177.730 176.300 0.127 0.000 1.134 490 R CA 2.079 58.269 56.100 0.149 0.000 0.952 490 R CB -0.907 29.431 30.300 0.064 0.000 0.850 490 R HN 0.419 nan 8.270 nan 0.000 0.433 491 D N -0.135 120.324 120.400 0.099 0.000 2.183 491 D HA -0.123 4.518 4.640 0.001 0.000 0.203 491 D C 1.628 177.979 176.300 0.084 0.000 0.969 491 D CA 0.622 54.672 54.000 0.083 0.000 0.842 491 D CB -0.467 40.383 40.800 0.084 0.000 0.957 491 D HN 0.154 nan 8.370 nan 0.000 0.484 492 F N 2.086 122.030 119.950 -0.010 0.000 2.025 492 F HA -0.305 4.223 4.527 0.002 0.000 0.297 492 F C 2.495 178.211 175.800 -0.140 0.000 1.132 492 F CA 1.847 59.778 58.000 -0.115 0.000 1.191 492 F CB -0.282 38.566 39.000 -0.253 0.000 0.963 492 F HN 0.051 nan 8.300 nan 0.000 0.481 493 H N 0.227 119.397 119.070 0.168 0.000 2.387 493 H HA -0.078 4.479 4.556 0.001 0.000 0.299 493 H C 2.531 177.802 175.328 -0.096 0.000 1.090 493 H CA 1.727 57.793 56.048 0.030 0.000 1.332 493 H CB -0.459 29.357 29.762 0.090 0.000 1.386 493 H HN 0.343 nan 8.280 nan 0.000 0.516 494 R N 0.230 120.759 120.500 0.048 0.000 2.080 494 R HA -0.100 4.241 4.340 0.001 0.000 0.236 494 R C 2.572 178.839 176.300 -0.054 0.000 1.137 494 R CA 0.837 56.933 56.100 -0.007 0.000 0.943 494 R CB -0.425 29.874 30.300 -0.001 0.000 0.846 494 R HN 0.233 nan 8.270 nan 0.000 0.431 495 L N 0.194 121.360 121.223 -0.094 0.000 2.083 495 L HA -0.176 4.165 4.340 0.001 0.000 0.209 495 L C 2.409 179.219 176.870 -0.100 0.000 1.083 495 L CA 1.398 56.184 54.840 -0.090 0.000 0.752 495 L CB -0.442 41.553 42.059 -0.106 0.000 0.899 495 L HN 0.272 nan 8.230 nan 0.000 0.433 496 A N -0.112 122.567 122.820 -0.235 0.000 1.898 496 A HA -0.207 4.114 4.320 0.001 0.000 0.216 496 A C 1.886 179.463 177.584 -0.012 0.000 1.181 496 A CA 1.605 53.528 52.037 -0.189 0.000 0.620 496 A CB -0.511 18.292 19.000 -0.328 0.000 0.819 496 A HN 0.469 nan 8.150 nan 0.000 0.442 497 N N 0.311 119.013 118.700 0.003 0.000 2.069 497 N HA -0.152 4.588 4.740 0.001 0.000 0.191 497 N C 1.533 177.100 175.510 0.094 0.000 1.031 497 N CA 1.481 54.573 53.050 0.071 0.000 0.852 497 N CB -0.429 38.100 38.487 0.069 0.000 1.018 497 N HN 0.392 nan 8.380 nan 0.000 0.423 498 E N 0.590 120.821 120.200 0.051 0.000 2.160 498 E HA -0.127 4.224 4.350 0.001 0.000 0.195 498 E C 1.956 178.727 176.600 0.285 0.000 0.991 498 E CA 0.369 56.798 56.400 0.048 0.000 0.810 498 E CB -0.288 29.291 29.700 -0.201 0.000 0.742 498 E HN 0.284 nan 8.360 nan 0.000 0.466 499 L N -0.286 121.092 121.223 0.259 0.000 2.209 499 L HA -0.043 4.298 4.340 0.001 0.000 0.207 499 L C 2.077 179.009 176.870 0.103 0.000 1.094 499 L CA 0.794 55.765 54.840 0.219 0.000 0.790 499 L CB -0.018 42.077 42.059 0.061 0.000 0.932 499 L HN -0.127 nan 8.230 nan 0.000 0.447 500 V N 0.220 120.187 119.914 0.089 0.000 2.358 500 V HA -0.243 3.878 4.120 0.001 0.000 0.246 500 V C 2.742 178.873 176.094 0.062 0.000 1.047 500 V CA 1.962 64.293 62.300 0.051 0.000 1.035 500 V CB -0.833 31.064 31.823 0.123 0.000 0.658 500 V HN 0.544 nan 8.190 nan 0.000 0.452 501 R N -0.490 120.080 120.500 0.116 0.000 2.113 501 R HA -0.287 4.054 4.340 0.001 0.000 0.244 501 R C 2.385 178.760 176.300 0.125 0.000 1.142 501 R CA 2.580 58.746 56.100 0.111 0.000 0.953 501 R CB -0.634 29.737 30.300 0.119 0.000 0.860 501 R HN 0.588 nan 8.270 nan 0.000 0.438 502 Y N 0.780 121.131 120.300 0.086 0.000 2.224 502 Y HA -0.183 4.367 4.550 0.001 0.000 0.289 502 Y C 2.020 177.882 175.900 -0.063 0.000 1.146 502 Y CA 1.647 59.782 58.100 0.058 0.000 1.182 502 Y CB -0.170 38.332 38.460 0.070 0.000 0.983 502 Y HN -0.092 nan 8.280 nan 0.000 0.524 503 V N 0.386 120.206 119.914 -0.158 0.000 2.307 503 V HA -0.283 3.838 4.120 0.001 0.000 0.245 503 V C 2.250 178.209 176.094 -0.224 0.000 1.045 503 V CA 2.359 64.478 62.300 -0.303 0.000 1.024 503 V CB -0.500 31.039 31.823 -0.474 0.000 0.651 503 V HN 0.285 nan 8.190 nan 0.000 0.449 504 K N -0.081 120.244 120.400 -0.125 0.000 2.057 504 K HA 0.013 4.334 4.320 0.001 0.000 0.206 504 K C 1.699 178.249 176.600 -0.082 0.000 1.050 504 K CA 1.869 58.114 56.287 -0.070 0.000 0.935 504 K CB -0.025 32.465 32.500 -0.016 0.000 0.715 504 K HN 0.699 nan 8.250 nan 0.000 0.439 505 I N -5.433 115.080 120.570 -0.094 0.000 4.338 505 I HA 0.398 4.569 4.170 0.001 0.000 0.329 505 I C 0.618 176.661 176.117 -0.122 0.000 1.378 505 I CA -0.022 61.230 61.300 -0.080 0.000 1.170 505 I CB 1.222 39.203 38.000 -0.031 0.000 1.206 505 I HN 0.151 nan 8.210 nan 0.000 0.432 506 G N 1.543 110.188 108.800 -0.257 0.000 2.153 506 G HA2 -0.278 3.683 3.960 0.001 0.000 0.252 506 G HA3 -0.278 3.683 3.960 0.001 0.000 0.252 506 G C -0.131 174.726 174.900 -0.072 0.000 0.994 506 G CA 0.506 45.376 45.100 -0.383 0.000 0.698 506 G HN 0.646 nan 8.290 nan 0.000 0.521 507 E N -1.300 118.946 120.200 0.076 0.000 2.207 507 E HA 0.768 5.119 4.350 0.001 0.000 0.270 507 E C -1.183 175.662 176.600 0.409 0.000 0.927 507 E CA -0.946 55.578 56.400 0.207 0.000 0.799 507 E CB 1.529 31.289 29.700 0.099 0.000 1.172 507 E HN 0.206 nan 8.360 nan 0.000 0.404 508 F N 1.730 121.776 119.950 0.160 0.000 2.604 508 F HA 0.135 4.663 4.527 0.001 0.000 0.316 508 F C -1.061 174.759 175.800 0.034 0.000 1.136 508 F CA -0.948 57.113 58.000 0.102 0.000 0.989 508 F CB 1.543 40.573 39.000 0.051 0.000 1.258 508 F HN 0.278 nan 8.300 nan 0.000 0.451 509 D N 4.975 124.922 120.400 -0.754 0.000 2.489 509 D HA 0.094 4.735 4.640 0.001 0.000 0.237 509 D C 1.181 177.167 176.300 -0.524 0.000 1.212 509 D CA 0.490 54.167 54.000 -0.539 0.000 1.058 509 D CB 0.599 41.128 40.800 -0.452 0.000 1.098 509 D HN 0.387 nan 8.370 nan 0.000 0.509 510 V N 3.943 123.811 119.914 -0.077 0.000 2.332 510 V HA -0.241 3.880 4.120 0.001 0.000 0.248 510 V C 2.578 178.689 176.094 0.029 0.000 1.055 510 V CA 1.500 63.874 62.300 0.123 0.000 1.038 510 V CB -0.317 31.598 31.823 0.153 0.000 0.651 510 V HN 0.534 nan 8.190 nan 0.000 0.450 511 K N -0.603 119.784 120.400 -0.022 0.000 2.063 511 K HA -0.237 4.083 4.320 0.001 0.000 0.208 511 K C 2.148 178.731 176.600 -0.029 0.000 1.048 511 K CA 1.859 58.135 56.287 -0.020 0.000 0.928 511 K CB -0.289 32.196 32.500 -0.025 0.000 0.713 511 K HN 0.381 nan 8.250 nan 0.000 0.442 512 L N 1.209 122.390 121.223 -0.071 0.000 2.046 512 L HA -0.174 4.167 4.340 0.001 0.000 0.208 512 L C 2.149 179.011 176.870 -0.013 0.000 1.077 512 L CA 1.238 56.043 54.840 -0.059 0.000 0.747 512 L CB -0.546 41.451 42.059 -0.103 0.000 0.896 512 L HN 0.141 nan 8.230 nan 0.000 0.432 513 L N 0.092 121.327 121.223 0.019 0.000 1.997 513 L HA -0.286 4.055 4.340 0.001 0.000 0.216 513 L C 2.381 179.287 176.870 0.059 0.000 1.074 513 L CA 2.184 57.080 54.840 0.094 0.000 0.763 513 L CB -0.874 41.321 42.059 0.227 0.000 0.890 513 L HN 0.448 nan 8.230 nan 0.000 0.434 514 E N -0.998 119.231 120.200 0.047 0.000 2.150 514 E HA -0.245 4.106 4.350 0.001 0.000 0.193 514 E C 2.041 178.656 176.600 0.024 0.000 0.985 514 E CA 1.087 57.508 56.400 0.035 0.000 0.814 514 E CB -0.016 29.702 29.700 0.030 0.000 0.752 514 E HN 0.577 nan 8.360 nan 0.000 0.466 515 E N 0.791 121.001 120.200 0.016 0.000 2.031 515 E HA -0.146 4.205 4.350 0.001 0.000 0.193 515 E C 1.982 178.595 176.600 0.022 0.000 0.994 515 E CA 0.923 57.327 56.400 0.008 0.000 0.800 515 E CB 0.028 29.726 29.700 -0.004 0.000 0.752 515 E HN 0.154 nan 8.360 nan 0.000 0.447 516 L N 0.431 121.675 121.223 0.035 0.000 2.056 516 L HA -0.145 4.196 4.340 0.001 0.000 0.207 516 L C 2.347 179.256 176.870 0.064 0.000 1.078 516 L CA 1.200 56.076 54.840 0.061 0.000 0.749 516 L CB -0.469 41.630 42.059 0.065 0.000 0.901 516 L HN 0.165 nan 8.230 nan 0.000 0.433 517 E N 0.075 120.305 120.200 0.050 0.000 2.085 517 E HA -0.285 4.066 4.350 0.001 0.000 0.194 517 E C 2.064 178.691 176.600 0.045 0.000 0.994 517 E CA 1.509 57.936 56.400 0.045 0.000 0.801 517 E CB -0.020 29.703 29.700 0.039 0.000 0.743 517 E HN 0.343 nan 8.360 nan 0.000 0.453 518 E N 1.114 121.336 120.200 0.038 0.000 2.107 518 E HA -0.131 4.220 4.350 0.001 0.000 0.191 518 E C 1.928 178.547 176.600 0.032 0.000 0.982 518 E CA 1.076 57.492 56.400 0.026 0.000 0.809 518 E CB 0.027 29.731 29.700 0.006 0.000 0.756 518 E HN 0.055 nan 8.360 nan 0.000 0.459 519 R N -0.237 120.296 120.500 0.055 0.000 2.080 519 R HA 0.003 4.344 4.340 0.001 0.000 0.222 519 R C -0.239 176.238 176.300 0.295 0.000 1.107 519 R CA 1.155 57.309 56.100 0.088 0.000 0.980 519 R CB 0.242 30.559 30.300 0.030 0.000 0.879 519 R HN 0.038 nan 8.270 nan 0.000 0.439 520 D N 1.312 121.852 120.400 0.234 0.000 2.479 520 D HA 0.046 4.686 4.640 0.001 0.000 0.247 520 D C -0.534 175.722 176.300 -0.073 0.000 1.119 520 D CA -0.144 53.919 54.000 0.104 0.000 0.922 520 D CB 0.998 41.871 40.800 0.121 0.000 1.014 520 D HN 0.318 nan 8.370 nan 0.000 0.510 521 N N 0.372 119.038 118.700 -0.057 0.000 2.273 521 N HA 0.093 4.834 4.740 0.001 0.000 0.231 521 N C -2.524 172.909 175.510 -0.128 0.000 1.134 521 N CA -0.883 52.148 53.050 -0.033 0.000 0.856 521 N CB 0.199 38.725 38.487 0.064 0.000 1.068 521 N HN 0.131 nan 8.380 nan 0.000 0.510 522 P HA 0.332 nan 4.420 nan 0.000 0.284 522 P C -0.579 176.446 177.300 -0.459 0.000 1.258 522 P CA -0.223 62.549 63.100 -0.548 0.000 0.824 522 P CB 0.533 31.611 31.700 -1.036 0.000 1.038 523 F N -2.006 117.970 119.950 0.044 0.000 2.152 523 F HA -0.144 4.384 4.527 0.001 0.000 0.503 523 F C 0.442 176.259 175.800 0.027 0.000 1.268 523 F CA -0.021 58.003 58.000 0.039 0.000 1.619 523 F CB -0.940 38.078 39.000 0.030 0.000 2.580 523 F HN 0.441 nan 8.300 nan 0.000 0.727 524 R N 4.428 125.036 120.500 0.180 0.000 2.772 524 R HA 0.436 4.776 4.340 0.001 0.000 0.288 524 R C -2.889 173.449 176.300 0.064 0.000 1.365 524 R CA -1.488 54.670 56.100 0.097 0.000 1.023 524 R CB 1.712 32.049 30.300 0.062 0.000 1.261 524 R HN 0.203 nan 8.270 nan 0.000 0.422 525 P HA 0.117 nan 4.420 nan 0.000 0.282 525 P C -0.608 176.749 177.300 0.095 0.000 1.249 525 P CA -0.501 62.641 63.100 0.070 0.000 0.806 525 P CB 1.655 33.383 31.700 0.047 0.000 0.984 526 V N 2.713 122.691 119.914 0.106 0.000 2.743 526 V HA 0.282 4.403 4.120 0.001 0.000 0.301 526 V C -0.501 175.629 176.094 0.060 0.000 1.057 526 V CA -0.597 61.763 62.300 0.100 0.000 1.006 526 V CB 1.676 33.588 31.823 0.149 0.000 1.024 526 V HN 0.277 nan 8.190 nan 0.000 0.473 527 V N 6.488 126.413 119.914 0.019 0.000 2.370 527 V HA 0.336 4.456 4.120 0.001 0.000 0.283 527 V C 0.651 176.765 176.094 0.034 0.000 1.023 527 V CA 0.319 62.629 62.300 0.016 0.000 0.857 527 V CB 1.247 33.056 31.823 -0.022 0.000 0.985 527 V HN 0.920 nan 8.190 nan 0.000 0.443 528 V N 1.456 121.422 119.914 0.088 0.000 3.604 528 V HA 0.329 4.450 4.120 0.001 0.000 0.277 528 V C 1.907 178.095 176.094 0.156 0.000 1.399 528 V CA 1.133 63.556 62.300 0.205 0.000 1.034 528 V CB -0.064 31.899 31.823 0.233 0.000 0.824 528 V HN 0.738 nan 8.190 nan 0.000 0.439 529 G N 1.983 110.828 108.800 0.075 0.000 2.505 529 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 529 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 529 G C -0.101 174.817 174.900 0.029 0.000 1.145 529 G CA 1.665 46.799 45.100 0.057 0.000 0.761 529 G HN 0.627 nan 8.290 nan 0.000 0.571 530 P HA 0.023 nan 4.420 nan 0.000 0.234 530 P C 0.560 177.794 177.300 -0.108 0.000 1.167 530 P CA 0.541 63.588 63.100 -0.087 0.000 0.763 530 P CB -0.095 31.515 31.700 -0.150 0.000 0.835 531 Y N -1.497 118.829 120.300 0.043 0.000 2.546 531 Y HA 0.031 4.582 4.550 0.002 0.000 0.287 531 Y C 1.076 176.997 175.900 0.035 0.000 1.158 531 Y CA -0.453 57.671 58.100 0.040 0.000 1.307 531 Y CB 0.022 38.511 38.460 0.048 0.000 1.036 531 Y HN -0.318 nan 8.280 nan 0.000 0.532 532 V N 1.109 121.116 119.914 0.155 0.000 2.529 532 V HA -0.007 4.113 4.120 0.001 0.000 0.292 532 V C 0.299 176.434 176.094 0.068 0.000 1.028 532 V CA 0.234 62.589 62.300 0.092 0.000 1.074 532 V CB 0.943 32.803 31.823 0.063 0.000 0.958 532 V HN 0.143 nan 8.190 nan 0.000 0.481 533 S N 3.152 118.884 115.700 0.053 0.000 2.566 533 S HA 0.437 4.908 4.470 0.001 0.000 0.298 533 S C 0.639 175.248 174.600 0.016 0.000 1.083 533 S CA -0.749 57.472 58.200 0.035 0.000 0.978 533 S CB 1.785 65.009 63.200 0.039 0.000 1.073 533 S HN 0.750 nan 8.310 nan 0.000 0.491 534 E N 1.837 122.043 120.200 0.009 0.000 2.371 534 E HA 0.110 4.461 4.350 0.001 0.000 0.194 534 E C -0.294 176.305 176.600 -0.001 0.000 1.012 534 E CA 0.476 56.876 56.400 0.001 0.000 0.860 534 E CB -0.036 29.663 29.700 -0.001 0.000 0.811 534 E HN 0.537 nan 8.360 nan 0.000 0.502 535 N N 2.062 120.764 118.700 0.003 0.000 2.813 535 N HA 0.190 4.931 4.740 0.001 0.000 0.282 535 N C -2.462 173.052 175.510 0.006 0.000 1.748 535 N CA -0.948 52.103 53.050 0.002 0.000 0.860 535 N CB 1.243 39.731 38.487 0.002 0.000 1.204 535 N HN 0.054 nan 8.380 nan 0.000 0.490 536 P HA 0.291 nan 4.420 nan 0.000 0.272 536 P C -2.407 174.898 177.300 0.009 0.000 1.230 536 P CA -0.618 62.487 63.100 0.008 0.000 0.788 536 P CB 0.153 31.848 31.700 -0.008 0.000 0.949 537 P HA 0.180 nan 4.420 nan 0.000 0.275 537 P C -0.031 177.282 177.300 0.022 0.000 1.266 537 P CA -0.291 62.822 63.100 0.021 0.000 0.793 537 P CB 0.330 32.048 31.700 0.030 0.000 1.074 538 E N 0.105 120.322 120.200 0.028 0.000 2.415 538 E HA 0.020 4.371 4.350 0.001 0.000 0.263 538 E C -0.218 176.411 176.600 0.048 0.000 0.995 538 E CA -0.304 56.115 56.400 0.033 0.000 0.915 538 E CB 0.263 29.985 29.700 0.038 0.000 0.951 538 E HN 0.287 nan 8.360 nan 0.000 0.449 539 L N 4.714 125.965 121.223 0.046 0.000 2.565 539 L HA -0.003 4.338 4.340 0.001 0.000 0.275 539 L C 0.066 176.999 176.870 0.105 0.000 1.137 539 L CA 0.468 55.356 54.840 0.079 0.000 0.915 539 L CB 0.006 42.109 42.059 0.074 0.000 1.232 539 L HN 0.319 nan 8.230 nan 0.000 0.473 540 E N 4.790 125.061 120.200 0.119 0.000 2.220 540 E HA 0.004 4.355 4.350 0.001 0.000 0.272 540 E C 0.467 177.155 176.600 0.146 0.000 1.099 540 E CA 0.036 56.507 56.400 0.119 0.000 0.907 540 E CB 0.564 30.325 29.700 0.102 0.000 1.022 540 E HN 0.668 nan 8.360 nan 0.000 0.428 541 E N 2.238 122.532 120.200 0.156 0.000 2.268 541 E HA -0.148 4.202 4.350 0.001 0.000 0.195 541 E C -0.206 176.530 176.600 0.228 0.000 0.995 541 E CA 0.893 57.404 56.400 0.185 0.000 0.836 541 E CB 0.205 30.006 29.700 0.168 0.000 0.763 541 E HN 0.414 nan 8.360 nan 0.000 0.491 542 Y N -0.428 119.916 120.300 0.074 0.000 2.441 542 Y HA 0.334 4.885 4.550 0.001 0.000 0.334 542 Y C -1.612 174.307 175.900 0.031 0.000 1.061 542 Y CA -0.920 57.213 58.100 0.056 0.000 1.032 542 Y CB 1.534 40.017 38.460 0.038 0.000 1.266 542 Y HN -0.373 nan 8.280 nan 0.000 0.441 543 V N 4.911 124.350 119.914 -0.791 0.000 2.623 543 V HA 0.250 4.371 4.120 0.001 0.000 0.304 543 V C -0.719 174.875 176.094 -0.834 0.000 1.054 543 V CA -1.020 60.911 62.300 -0.615 0.000 0.882 543 V CB 1.676 33.160 31.823 -0.566 0.000 1.002 543 V HN 0.719 nan 8.190 nan 0.000 0.424 544 E N 6.725 126.656 120.200 -0.449 0.000 2.463 544 E HA 0.149 4.500 4.350 0.001 0.000 0.248 544 E C -2.443 174.072 176.600 -0.142 0.000 1.106 544 E CA -1.246 55.046 56.400 -0.181 0.000 0.946 544 E CB 0.497 30.213 29.700 0.026 0.000 0.971 544 E HN 0.391 nan 8.360 nan 0.000 0.478 545 P HA 0.107 nan 4.420 nan 0.000 0.267 545 P C -2.444 174.887 177.300 0.052 0.000 1.209 545 P CA -0.997 62.115 63.100 0.021 0.000 0.763 545 P CB 0.225 31.951 31.700 0.043 0.000 0.816 546 P HA -0.014 nan 4.420 nan 0.000 0.266 546 P C -0.173 177.168 177.300 0.068 0.000 1.193 546 P CA 0.371 63.538 63.100 0.113 0.000 0.770 546 P CB 0.462 32.291 31.700 0.216 0.000 0.836 547 E N 0.470 120.698 120.200 0.046 0.000 2.354 547 E HA 0.225 4.576 4.350 0.001 0.000 0.269 547 E C -0.513 176.087 176.600 0.000 0.000 1.036 547 E CA -0.668 55.743 56.400 0.018 0.000 0.876 547 E CB 0.740 30.444 29.700 0.008 0.000 1.009 547 E HN 0.145 nan 8.360 nan 0.000 0.416 548 V N 4.884 124.788 119.914 -0.017 0.000 2.407 548 V HA 0.206 4.326 4.120 0.001 0.000 0.278 548 V C -1.630 174.441 176.094 -0.040 0.000 1.037 548 V CA -1.646 60.630 62.300 -0.040 0.000 0.900 548 V CB 0.812 32.602 31.823 -0.055 0.000 0.983 548 V HN 0.664 nan 8.190 nan 0.000 0.459 549 P HA 0.262 nan 4.420 nan 0.000 0.269 549 P C -2.351 174.929 177.300 -0.032 0.000 1.215 549 P CA -0.684 62.390 63.100 -0.044 0.000 0.780 549 P CB -0.114 31.552 31.700 -0.057 0.000 0.898 550 P HA 0.000 nan 4.420 nan 0.000 0.216 550 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 550 P CB 0.000 31.695 31.700 -0.009 0.000 0.726