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 2r6g_1_F DATA FIRST_RESID 13 DATA SEQUENCE DALKWSVLGL LGLLVGYLVV LMYAQGEYLF AITTLILSSA GLYIFANRKA DATA SEQUENCE YAWRYVYPGM AGMGLFVLFP LVCTIAIAFT NYSSTNQLTF ERAQEVLLDR DATA SEQUENCE SWQAGKTYNF GLYPAGDEWQ LALSDGETGK NYLSDAFKFG GEQKLQLKET DATA SEQUENCE TAQPEGERAN LRVITQNRQA LSDITAILPD GNKVMMSSLR QFSGTQPLYT DATA SEQUENCE LDGDGTLTNN QSGVKYRPNN QIGFYQSITA XXNWGDEKLS PGYTVTTGWK DATA SEQUENCE NFTRVFTDEG IQKPFLAIFV WTVVFSLITV FLTVAVGMVL ACLVQWEALR DATA SEQUENCE GKAVYRVLLI LPYAVPSFIS ILIFKGLFNQ SFGEINMMLS ALFGVKPAWF DATA SEQUENCE SDPTTARTML IIVNTWLGYP YMMILCMGLL KAIPDDLYEA SAMDGAGPFQ DATA SEQUENCE NFFKITLPLL IKPLTPLMIA SFAFNFNNFV LIQLLTNGGP DRLGTTTPAG DATA SEQUENCE YTDLLVNYTY RIAFEGGGGQ DFGLAAAIAT LIFLLVGALA IV 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.308 176.300 0.013 0.000 2.045 13 D CA 0.000 54.002 54.000 0.003 0.000 0.868 13 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 14 A N 0.651 123.483 122.820 0.019 0.000 1.657 14 A HA 0.695 5.015 4.320 -0.001 0.000 0.202 14 A C -0.174 177.440 177.584 0.050 0.000 1.712 14 A CA 0.324 52.380 52.037 0.033 0.000 1.203 14 A CB 0.170 19.191 19.000 0.035 0.000 1.093 14 A HN 1.022 nan 8.150 nan 0.000 0.507 15 L N 0.601 121.861 121.223 0.061 0.000 2.409 15 L HA 0.440 4.780 4.340 -0.001 0.000 0.272 15 L C 0.403 177.304 176.870 0.051 0.000 0.980 15 L CA -0.514 54.388 54.840 0.104 0.000 0.826 15 L CB 2.259 44.434 42.059 0.194 0.000 1.268 15 L HN 0.273 nan 8.230 nan 0.000 0.407 16 K N 1.817 122.187 120.400 -0.050 0.000 2.486 16 K HA -0.030 4.289 4.320 -0.001 0.000 0.194 16 K C 0.940 177.426 176.600 -0.189 0.000 1.033 16 K CA 0.959 57.147 56.287 -0.164 0.000 1.004 16 K CB 0.117 32.456 32.500 -0.268 0.000 0.798 16 K HN 0.566 nan 8.250 nan 0.000 0.495 17 W N 0.729 122.025 121.300 -0.006 0.000 2.525 17 W HA -0.078 4.582 4.660 -0.001 0.000 0.259 17 W C 2.045 178.559 176.519 -0.007 0.000 1.253 17 W CA 0.401 57.744 57.345 -0.004 0.000 1.262 17 W CB 0.115 29.575 29.460 -0.001 0.000 1.122 17 W HN -0.026 nan 8.180 nan 0.000 0.607 18 S N -0.161 115.637 115.700 0.163 0.000 2.395 18 S HA -0.120 4.350 4.470 -0.001 0.000 0.225 18 S C 1.841 176.463 174.600 0.037 0.000 1.027 18 S CA 1.208 59.462 58.200 0.090 0.000 0.965 18 S CB -0.468 62.767 63.200 0.059 0.000 0.812 18 S HN 0.059 nan 8.310 nan 0.000 0.482 19 V N 1.498 121.407 119.914 -0.008 0.000 2.346 19 V HA -0.020 4.099 4.120 -0.001 0.000 0.244 19 V C 2.073 178.134 176.094 -0.055 0.000 1.037 19 V CA 1.193 63.462 62.300 -0.051 0.000 1.029 19 V CB -0.621 31.141 31.823 -0.101 0.000 0.663 19 V HN 0.305 nan 8.190 nan 0.000 0.454 20 L N 1.147 122.325 121.223 -0.074 0.000 2.201 20 L HA 0.029 4.369 4.340 -0.001 0.000 0.212 20 L C 2.444 179.339 176.870 0.042 0.000 1.105 20 L CA 1.943 56.746 54.840 -0.062 0.000 0.775 20 L CB -1.171 40.780 42.059 -0.181 0.000 0.913 20 L HN 0.360 nan 8.230 nan 0.000 0.440 21 G N -0.974 107.882 108.800 0.093 0.000 2.404 21 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.215 21 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.215 21 G C 1.506 176.443 174.900 0.061 0.000 1.174 21 G CA 0.173 45.337 45.100 0.107 0.000 0.780 21 G HN 0.174 nan 8.290 nan 0.000 0.537 22 L N 0.145 121.388 121.223 0.033 0.000 2.141 22 L HA 0.130 4.469 4.340 -0.001 0.000 0.209 22 L C 2.795 179.666 176.870 0.001 0.000 1.094 22 L CA 1.062 55.907 54.840 0.008 0.000 0.763 22 L CB -0.647 41.406 42.059 -0.011 0.000 0.908 22 L HN 0.249 nan 8.230 nan 0.000 0.437 23 L N -1.245 119.978 121.223 -0.001 0.000 2.341 23 L HA 0.006 4.345 4.340 -0.001 0.000 0.214 23 L C 2.382 179.268 176.870 0.026 0.000 1.115 23 L CA 0.674 55.513 54.840 -0.001 0.000 0.820 23 L CB -0.570 41.473 42.059 -0.026 0.000 0.944 23 L HN 0.243 nan 8.230 nan 0.000 0.452 24 G N -0.201 108.625 108.800 0.043 0.000 2.534 24 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 24 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 24 G C 1.491 176.440 174.900 0.082 0.000 1.128 24 G CA 0.161 45.299 45.100 0.063 0.000 0.784 24 G HN 0.178 nan 8.290 nan 0.000 0.542 25 L N 0.154 121.428 121.223 0.085 0.000 2.034 25 L HA 0.241 4.581 4.340 -0.001 0.000 0.203 25 L C 2.715 179.700 176.870 0.192 0.000 1.074 25 L CA 1.209 56.134 54.840 0.141 0.000 0.748 25 L CB -0.358 41.742 42.059 0.069 0.000 0.905 25 L HN 0.145 nan 8.230 nan 0.000 0.439 26 L N -0.636 120.637 121.223 0.085 0.000 2.042 26 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 26 L C 0.820 177.759 176.870 0.116 0.000 1.076 26 L CA 0.316 55.206 54.840 0.085 0.000 0.749 26 L CB -0.554 41.517 42.059 0.019 0.000 0.893 26 L HN -0.019 nan 8.230 nan 0.000 0.432 27 V N 0.995 120.956 119.914 0.078 0.000 2.359 27 V HA 0.279 4.398 4.120 -0.001 0.000 0.248 27 V C 0.995 177.128 176.094 0.065 0.000 1.091 27 V CA 1.075 63.408 62.300 0.056 0.000 1.103 27 V CB -0.407 31.436 31.823 0.033 0.000 1.176 27 V HN 0.641 nan 8.190 nan 0.000 0.488 28 G N 3.570 112.410 108.800 0.065 0.000 3.753 28 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.196 28 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.196 28 G C 0.648 175.563 174.900 0.024 0.000 1.538 28 G CA 0.054 45.174 45.100 0.032 0.000 1.040 28 G HN 0.462 nan 8.290 nan 0.000 0.427 29 Y N 1.332 121.637 120.300 0.008 0.000 2.274 29 Y HA 0.198 4.748 4.550 -0.001 0.000 0.290 29 Y C 2.779 178.690 175.900 0.018 0.000 1.145 29 Y CA 2.044 60.152 58.100 0.013 0.000 1.203 29 Y CB -0.026 38.441 38.460 0.012 0.000 0.984 29 Y HN 0.321 nan 8.280 nan 0.000 0.533 30 L N -2.485 118.836 121.223 0.163 0.000 2.316 30 L HA -0.054 4.285 4.340 -0.001 0.000 0.207 30 L C 2.076 178.987 176.870 0.068 0.000 1.070 30 L CA 0.063 54.967 54.840 0.106 0.000 0.820 30 L CB -0.434 41.677 42.059 0.087 0.000 0.992 30 L HN -0.090 nan 8.230 nan 0.000 0.466 31 V N -0.369 119.571 119.914 0.044 0.000 2.270 31 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 31 V C 2.367 178.488 176.094 0.045 0.000 1.043 31 V CA 1.666 63.979 62.300 0.021 0.000 1.014 31 V CB -0.285 31.536 31.823 -0.004 0.000 0.645 31 V HN 0.184 nan 8.190 nan 0.000 0.447 32 V N -0.189 119.738 119.914 0.023 0.000 2.626 32 V HA -0.182 3.937 4.120 -0.001 0.000 0.252 32 V C 2.328 178.475 176.094 0.088 0.000 1.067 32 V CA 1.299 63.623 62.300 0.039 0.000 1.081 32 V CB -0.548 31.252 31.823 -0.039 0.000 0.686 32 V HN 0.438 nan 8.190 nan 0.000 0.468 33 L N -0.543 120.712 121.223 0.053 0.000 2.093 33 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 33 L C 2.229 179.126 176.870 0.045 0.000 1.085 33 L CA 2.084 56.954 54.840 0.050 0.000 0.755 33 L CB -0.373 41.722 42.059 0.060 0.000 0.904 33 L HN 0.340 nan 8.230 nan 0.000 0.435 34 M N -2.148 117.491 119.600 0.065 0.000 2.349 34 M HA -0.213 4.267 4.480 -0.001 0.000 0.266 34 M C 2.082 178.368 176.300 -0.024 0.000 1.076 34 M CA 1.181 56.512 55.300 0.052 0.000 1.126 34 M CB -0.389 32.277 32.600 0.110 0.000 1.392 34 M HN 0.157 nan 8.290 nan 0.000 0.440 35 Y N 1.155 121.397 120.300 -0.096 0.000 2.181 35 Y HA 0.038 4.587 4.550 -0.001 0.000 0.288 35 Y C 1.367 177.132 175.900 -0.224 0.000 1.146 35 Y CA 0.705 58.725 58.100 -0.134 0.000 1.164 35 Y CB -0.281 38.174 38.460 -0.008 0.000 0.982 35 Y HN 0.114 nan 8.280 nan 0.000 0.515 36 A N 0.559 123.308 122.820 -0.119 0.000 2.292 36 A HA 0.170 4.490 4.320 -0.001 0.000 0.265 36 A C 0.733 178.178 177.584 -0.233 0.000 1.133 36 A CA 0.327 52.259 52.037 -0.175 0.000 0.807 36 A CB -0.289 18.695 19.000 -0.027 0.000 1.102 36 A HN 0.634 nan 8.150 nan 0.000 0.502 37 Q N -1.417 118.282 119.800 -0.169 0.000 2.426 37 Q HA -0.207 4.133 4.340 -0.001 0.000 0.254 37 Q C 0.723 176.599 176.000 -0.207 0.000 1.017 37 Q CA 1.460 57.177 55.803 -0.143 0.000 1.083 37 Q CB -2.678 26.006 28.738 -0.090 0.000 1.552 37 Q HN 2.715 nan 8.270 nan 0.000 0.532 38 G N 0.199 108.773 108.800 -0.376 0.000 2.351 38 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.297 38 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.297 38 G C -0.312 174.359 174.900 -0.382 0.000 1.054 38 G CA 0.482 45.318 45.100 -0.440 0.000 1.123 38 G HN 0.603 nan 8.290 nan 0.000 0.512 39 E N -0.557 119.322 120.200 -0.534 0.000 3.651 39 E HA 0.330 4.680 4.350 -0.001 0.000 0.220 39 E C 0.476 176.971 176.600 -0.175 0.000 1.222 39 E CA -0.608 55.659 56.400 -0.221 0.000 1.114 39 E CB 0.366 30.010 29.700 -0.093 0.000 1.278 39 E HN 0.559 nan 8.360 nan 0.000 0.412 40 Y N 0.136 120.456 120.300 0.032 0.000 2.286 40 Y HA -0.107 4.442 4.550 -0.001 0.000 0.293 40 Y C 2.165 178.106 175.900 0.069 0.000 1.124 40 Y CA 0.600 58.729 58.100 0.047 0.000 1.178 40 Y CB 0.175 38.643 38.460 0.014 0.000 1.010 40 Y HN 0.363 nan 8.280 nan 0.000 0.536 41 L N -1.098 120.254 121.223 0.216 0.000 2.042 41 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 41 L C 2.110 179.054 176.870 0.124 0.000 1.076 41 L CA 1.607 56.536 54.840 0.150 0.000 0.749 41 L CB -0.332 41.812 42.059 0.143 0.000 0.893 41 L HN 0.274 nan 8.230 nan 0.000 0.432 42 F N -0.570 119.364 119.950 -0.026 0.000 2.558 42 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 42 F C 2.164 177.944 175.800 -0.034 0.000 1.119 42 F CA 0.793 58.755 58.000 -0.064 0.000 1.451 42 F CB 0.100 39.054 39.000 -0.077 0.000 1.091 42 F HN 0.088 nan 8.300 nan 0.000 0.563 43 A N 0.072 122.922 122.820 0.050 0.000 1.935 43 A HA 0.004 4.323 4.320 -0.001 0.000 0.214 43 A C 2.087 179.668 177.584 -0.006 0.000 1.178 43 A CA 1.023 53.074 52.037 0.024 0.000 0.640 43 A CB -0.687 18.388 19.000 0.125 0.000 0.825 43 A HN 0.392 nan 8.150 nan 0.000 0.447 44 I N -1.116 119.470 120.570 0.028 0.000 2.233 44 I HA -0.175 3.995 4.170 -0.001 0.000 0.243 44 I C 2.736 178.815 176.117 -0.063 0.000 1.093 44 I CA 1.707 63.011 61.300 0.008 0.000 1.380 44 I CB -0.367 37.660 38.000 0.045 0.000 1.067 44 I HN 0.349 nan 8.210 nan 0.000 0.413 45 T N -0.840 113.646 114.554 -0.113 0.000 2.746 45 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 45 T C 1.962 176.530 174.700 -0.220 0.000 1.039 45 T CA 2.298 64.296 62.100 -0.170 0.000 1.142 45 T CB -0.251 68.481 68.868 -0.226 0.000 0.866 45 T HN 0.284 nan 8.240 nan 0.000 0.444 46 T N 0.510 114.875 114.554 -0.315 0.000 3.035 46 T HA 0.129 4.478 4.350 -0.001 0.000 0.268 46 T C 1.750 176.363 174.700 -0.145 0.000 1.109 46 T CA 0.895 62.818 62.100 -0.296 0.000 1.119 46 T CB -0.312 68.306 68.868 -0.417 0.000 0.900 46 T HN 0.372 nan 8.240 nan 0.000 0.503 47 L N 0.917 122.076 121.223 -0.108 0.000 2.049 47 L HA 0.155 4.495 4.340 -0.001 0.000 0.203 47 L C 2.321 179.159 176.870 -0.052 0.000 1.074 47 L CA 1.359 56.162 54.840 -0.062 0.000 0.749 47 L CB -0.301 41.730 42.059 -0.047 0.000 0.907 47 L HN 0.408 nan 8.230 nan 0.000 0.439 48 I N -2.519 118.017 120.570 -0.056 0.000 2.286 48 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 48 I C 2.218 178.318 176.117 -0.028 0.000 1.115 48 I CA 1.353 62.622 61.300 -0.050 0.000 1.392 48 I CB -0.591 37.379 38.000 -0.050 0.000 1.065 48 I HN 0.169 nan 8.210 nan 0.000 0.418 49 L N 1.128 122.345 121.223 -0.010 0.000 2.093 49 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 49 L C 2.683 179.621 176.870 0.114 0.000 1.085 49 L CA 1.708 56.596 54.840 0.080 0.000 0.755 49 L CB -0.740 41.338 42.059 0.031 0.000 0.904 49 L HN 0.252 nan 8.230 nan 0.000 0.435 50 S N -1.592 114.130 115.700 0.037 0.000 2.436 50 S HA -0.080 4.389 4.470 -0.001 0.000 0.228 50 S C 2.114 176.713 174.600 -0.001 0.000 1.014 50 S CA 1.007 59.229 58.200 0.035 0.000 0.950 50 S CB -0.070 63.138 63.200 0.013 0.000 0.784 50 S HN 0.376 nan 8.310 nan 0.000 0.504 51 S N 2.167 117.853 115.700 -0.024 0.000 2.345 51 S HA -0.004 4.465 4.470 -0.001 0.000 0.220 51 S C 2.331 176.888 174.600 -0.073 0.000 1.031 51 S CA 1.031 59.208 58.200 -0.038 0.000 0.996 51 S CB -0.547 62.617 63.200 -0.061 0.000 0.882 51 S HN 0.611 nan 8.310 nan 0.000 0.445 52 A N 1.434 124.176 122.820 -0.129 0.000 1.972 52 A HA 0.094 4.414 4.320 -0.001 0.000 0.219 52 A C 2.246 179.574 177.584 -0.428 0.000 1.169 52 A CA 1.689 53.588 52.037 -0.230 0.000 0.635 52 A CB -1.305 17.583 19.000 -0.186 0.000 0.810 52 A HN 0.515 nan 8.150 nan 0.000 0.446 53 G N -0.100 108.420 108.800 -0.466 0.000 2.414 53 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.215 53 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.215 53 G C 1.510 176.315 174.900 -0.159 0.000 1.188 53 G CA 1.022 45.755 45.100 -0.613 0.000 0.783 53 G HN 0.426 nan 8.290 nan 0.000 0.537 54 L N -1.054 120.157 121.223 -0.021 0.000 2.217 54 L HA 0.058 4.397 4.340 -0.001 0.000 0.211 54 L C 2.524 179.412 176.870 0.030 0.000 1.107 54 L CA 0.620 55.492 54.840 0.053 0.000 0.783 54 L CB -0.343 41.743 42.059 0.045 0.000 0.919 54 L HN 0.309 nan 8.230 nan 0.000 0.442 55 Y N 1.408 121.634 120.300 -0.124 0.000 2.224 55 Y HA -0.249 4.301 4.550 -0.001 0.000 0.289 55 Y C 2.398 178.203 175.900 -0.158 0.000 1.146 55 Y CA 1.947 59.973 58.100 -0.123 0.000 1.182 55 Y CB -0.043 38.325 38.460 -0.153 0.000 0.983 55 Y HN 0.210 nan 8.280 nan 0.000 0.524 56 I N -3.578 116.874 120.570 -0.196 0.000 2.617 56 I HA -0.116 4.054 4.170 -0.001 0.000 0.256 56 I C 1.384 177.254 176.117 -0.411 0.000 1.167 56 I CA 1.240 62.339 61.300 -0.335 0.000 1.469 56 I CB -0.728 37.019 38.000 -0.421 0.000 1.098 56 I HN 0.019 nan 8.210 nan 0.000 0.436 57 F N 1.598 121.443 119.950 -0.176 0.000 2.789 57 F HA 0.436 4.962 4.527 -0.001 0.000 0.300 57 F C 1.778 177.423 175.800 -0.257 0.000 1.132 57 F CA 0.132 58.019 58.000 -0.187 0.000 1.404 57 F CB 0.010 38.895 39.000 -0.192 0.000 1.114 57 F HN 0.137 nan 8.300 nan 0.000 0.584 58 A N -0.076 122.652 122.820 -0.153 0.000 3.444 58 A HA 0.255 4.575 4.320 -0.001 0.000 0.189 58 A C 1.516 179.020 177.584 -0.134 0.000 1.542 58 A CA -0.318 51.569 52.037 -0.251 0.000 0.867 58 A CB -0.317 18.551 19.000 -0.220 0.000 1.712 58 A HN 0.026 nan 8.150 nan 0.000 0.556 59 N N 0.143 118.855 118.700 0.020 0.000 2.106 59 N HA -0.169 4.570 4.740 -0.001 0.000 0.200 59 N C 0.674 176.148 175.510 -0.060 0.000 1.014 59 N CA 1.224 54.319 53.050 0.075 0.000 0.891 59 N CB -0.351 38.208 38.487 0.119 0.000 1.069 59 N HN 0.440 nan 8.380 nan 0.000 0.490 60 R N 2.534 122.885 120.500 -0.248 0.000 2.291 60 R HA 0.009 4.349 4.340 -0.001 0.000 0.333 60 R C -0.548 175.651 176.300 -0.169 0.000 1.082 60 R CA -0.091 55.865 56.100 -0.242 0.000 0.948 60 R CB 0.213 30.245 30.300 -0.446 0.000 1.009 60 R HN -0.026 nan 8.270 nan 0.000 0.460 61 K N 3.458 123.839 120.400 -0.032 0.000 2.095 61 K HA 0.052 4.371 4.320 -0.001 0.000 0.258 61 K C -0.130 176.534 176.600 0.106 0.000 1.120 61 K CA 0.063 56.377 56.287 0.045 0.000 1.026 61 K CB 0.722 33.266 32.500 0.072 0.000 1.256 61 K HN 0.490 nan 8.250 nan 0.000 0.360 62 A N 3.548 126.427 122.820 0.099 0.000 3.245 62 A HA 0.083 4.402 4.320 -0.001 0.000 0.282 62 A C 0.992 178.729 177.584 0.255 0.000 1.417 62 A CA -0.521 51.670 52.037 0.256 0.000 1.149 62 A CB -0.395 18.752 19.000 0.245 0.000 1.155 62 A HN 0.690 nan 8.150 nan 0.000 0.602 63 Y N 1.138 121.504 120.300 0.111 0.000 2.207 63 Y HA -0.240 4.310 4.550 -0.001 0.000 0.287 63 Y C 2.353 178.363 175.900 0.183 0.000 1.156 63 Y CA 2.230 60.400 58.100 0.116 0.000 1.182 63 Y CB 0.078 38.605 38.460 0.112 0.000 0.979 63 Y HN 0.573 nan 8.280 nan 0.000 0.521 64 A N -0.907 122.036 122.820 0.205 0.000 1.972 64 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 64 A C 1.744 179.283 177.584 -0.075 0.000 1.169 64 A CA 1.514 53.551 52.037 0.000 0.000 0.635 64 A CB -1.325 17.554 19.000 -0.202 0.000 0.810 64 A HN 0.743 nan 8.150 nan 0.000 0.446 65 W N -0.233 121.091 121.300 0.041 0.000 2.678 65 W HA 0.079 4.739 4.660 -0.000 0.000 0.256 65 W C 2.250 178.720 176.519 -0.081 0.000 1.280 65 W CA 0.574 57.918 57.345 -0.002 0.000 1.345 65 W CB -0.011 29.426 29.460 -0.038 0.000 1.118 65 W HN 0.227 nan 8.180 nan 0.000 0.629 66 R N -0.869 119.604 120.500 -0.045 0.000 2.189 66 R HA -0.135 4.205 4.340 -0.001 0.000 0.223 66 R C 1.224 177.410 176.300 -0.190 0.000 1.092 66 R CA 1.153 57.057 56.100 -0.327 0.000 0.989 66 R CB -0.453 29.522 30.300 -0.541 0.000 0.876 66 R HN 0.315 nan 8.270 nan 0.000 0.457 67 Y N -1.107 119.158 120.300 -0.058 0.000 2.441 67 Y HA -0.013 4.537 4.550 -0.000 0.000 0.288 67 Y C 2.220 178.133 175.900 0.022 0.000 1.118 67 Y CA 0.317 58.403 58.100 -0.023 0.000 1.215 67 Y CB 0.153 38.572 38.460 -0.068 0.000 1.118 67 Y HN -0.231 nan 8.280 nan 0.000 0.547 68 V N -0.825 119.202 119.914 0.188 0.000 2.407 68 V HA -0.266 3.854 4.120 -0.001 0.000 0.245 68 V C 1.986 178.204 176.094 0.207 0.000 1.041 68 V CA 1.726 64.117 62.300 0.152 0.000 1.040 68 V CB -0.947 30.921 31.823 0.076 0.000 0.671 68 V HN 0.447 nan 8.190 nan 0.000 0.455 69 Y N 3.101 123.495 120.300 0.157 0.000 2.097 69 Y HA -0.160 4.389 4.550 -0.001 0.000 0.282 69 Y C 0.086 176.048 175.900 0.103 0.000 1.152 69 Y CA 2.313 60.496 58.100 0.138 0.000 1.136 69 Y CB -1.539 36.978 38.460 0.096 0.000 0.975 69 Y HN 0.294 nan 8.280 nan 0.000 0.498 70 P HA -0.102 nan 4.420 nan 0.000 0.222 70 P C 1.517 178.744 177.300 -0.122 0.000 1.147 70 P CA 2.100 65.084 63.100 -0.193 0.000 0.790 70 P CB -0.380 31.340 31.700 0.033 0.000 0.780 71 G N -0.080 108.699 108.800 -0.035 0.000 2.395 71 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.214 71 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.214 71 G C 1.578 176.477 174.900 -0.002 0.000 1.177 71 G CA 0.369 45.474 45.100 0.009 0.000 0.794 71 G HN 0.157 nan 8.290 nan 0.000 0.532 72 M N 0.907 120.502 119.600 -0.009 0.000 2.476 72 M HA 0.103 4.583 4.480 -0.001 0.000 0.262 72 M C 2.890 179.151 176.300 -0.065 0.000 1.079 72 M CA 0.794 56.101 55.300 0.012 0.000 1.104 72 M CB -0.096 32.561 32.600 0.095 0.000 1.409 72 M HN 0.348 nan 8.290 nan 0.000 0.467 73 A N 0.800 123.489 122.820 -0.219 0.000 1.841 73 A HA -0.034 4.285 4.320 -0.001 0.000 0.214 73 A C 2.341 179.837 177.584 -0.146 0.000 1.195 73 A CA 1.926 53.804 52.037 -0.266 0.000 0.611 73 A CB -1.497 17.215 19.000 -0.480 0.000 0.835 73 A HN 0.488 nan 8.150 nan 0.000 0.443 74 G N -1.037 107.737 108.800 -0.044 0.000 2.418 74 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 74 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 74 G C 1.675 176.679 174.900 0.173 0.000 1.158 74 G CA 1.205 46.393 45.100 0.146 0.000 0.771 74 G HN 0.437 nan 8.290 nan 0.000 0.545 75 M N 0.754 120.416 119.600 0.103 0.000 2.175 75 M HA 0.032 4.512 4.480 -0.001 0.000 0.264 75 M C 2.632 178.977 176.300 0.075 0.000 1.063 75 M CA 1.539 56.907 55.300 0.113 0.000 1.119 75 M CB -0.176 32.480 32.600 0.093 0.000 1.377 75 M HN 0.287 nan 8.290 nan 0.000 0.415 76 G N 0.204 109.014 108.800 0.017 0.000 2.402 76 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.216 76 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.216 76 G C 1.268 176.146 174.900 -0.037 0.000 1.162 76 G CA 0.412 45.515 45.100 0.005 0.000 0.777 76 G HN 0.357 nan 8.290 nan 0.000 0.539 77 L N -0.712 120.386 121.223 -0.209 0.000 2.072 77 L HA 0.276 4.616 4.340 -0.001 0.000 0.205 77 L C 1.982 178.595 176.870 -0.428 0.000 1.079 77 L CA 1.465 56.009 54.840 -0.494 0.000 0.752 77 L CB -0.214 41.264 42.059 -0.968 0.000 0.906 77 L HN 0.293 nan 8.230 nan 0.000 0.436 78 F N -3.650 116.375 119.950 0.125 0.000 2.706 78 F HA 0.183 4.710 4.527 -0.001 0.000 0.308 78 F C 1.568 177.435 175.800 0.112 0.000 1.095 78 F CA -0.170 57.910 58.000 0.132 0.000 1.244 78 F CB 0.314 39.365 39.000 0.084 0.000 1.063 78 F HN -0.244 nan 8.300 nan 0.000 0.582 79 V N -0.908 119.138 119.914 0.220 0.000 3.102 79 V HA 0.030 4.150 4.120 -0.001 0.000 0.225 79 V C 1.703 177.852 176.094 0.091 0.000 1.301 79 V CA 0.258 62.644 62.300 0.143 0.000 1.308 79 V CB 0.231 32.132 31.823 0.131 0.000 1.129 79 V HN 0.192 nan 8.190 nan 0.000 0.502 80 L N -0.397 120.885 121.223 0.098 0.000 2.056 80 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 80 L C 2.312 179.241 176.870 0.100 0.000 1.078 80 L CA 2.084 56.973 54.840 0.081 0.000 0.749 80 L CB -0.310 41.800 42.059 0.085 0.000 0.901 80 L HN 0.425 nan 8.230 nan 0.000 0.433 81 F N 1.557 121.500 119.950 -0.012 0.000 2.075 81 F HA -0.078 4.449 4.527 -0.001 0.000 0.297 81 F C -0.705 175.096 175.800 0.001 0.000 1.113 81 F CA 1.163 59.155 58.000 -0.013 0.000 1.218 81 F CB -1.877 37.101 39.000 -0.037 0.000 0.984 81 F HN 0.086 nan 8.300 nan 0.000 0.472 82 P HA -0.185 nan 4.420 nan 0.000 0.220 82 P C 1.888 179.044 177.300 -0.240 0.000 1.144 82 P CA 1.623 64.525 63.100 -0.330 0.000 0.800 82 P CB -0.161 31.485 31.700 -0.091 0.000 0.772 83 L N -1.697 119.432 121.223 -0.157 0.000 2.034 83 L HA -0.075 4.264 4.340 -0.001 0.000 0.203 83 L C 2.304 179.111 176.870 -0.106 0.000 1.074 83 L CA 1.166 55.926 54.840 -0.134 0.000 0.748 83 L CB -1.374 40.607 42.059 -0.129 0.000 0.905 83 L HN -0.169 nan 8.230 nan 0.000 0.439 84 V N -0.125 119.743 119.914 -0.076 0.000 2.453 84 V HA -0.362 3.758 4.120 -0.001 0.000 0.252 84 V C 2.708 178.759 176.094 -0.073 0.000 1.068 84 V CA 1.946 64.231 62.300 -0.026 0.000 1.070 84 V CB -0.711 31.134 31.823 0.036 0.000 0.664 84 V HN 0.661 nan 8.190 nan 0.000 0.461 85 C N -0.525 118.640 119.300 -0.225 0.000 2.466 85 C HA -0.140 4.319 4.460 -0.001 0.000 0.278 85 C C 3.094 177.991 174.990 -0.155 0.000 1.288 85 C CA 1.790 60.651 59.018 -0.262 0.000 1.722 85 C CB -0.833 26.574 27.740 -0.555 0.000 2.017 85 C HN 0.598 nan 8.230 nan 0.000 0.488 86 T N 0.530 115.001 114.554 -0.139 0.000 3.023 86 T HA -0.041 4.309 4.350 -0.001 0.000 0.266 86 T C 1.503 176.200 174.700 -0.005 0.000 1.093 86 T CA 1.460 63.515 62.100 -0.074 0.000 1.129 86 T CB -0.475 68.349 68.868 -0.073 0.000 0.899 86 T HN 0.733 nan 8.240 nan 0.000 0.491 87 I N -0.542 120.052 120.570 0.039 0.000 2.500 87 I HA 0.275 4.444 4.170 -0.001 0.000 0.252 87 I C 2.595 178.871 176.117 0.265 0.000 1.142 87 I CA 1.018 62.416 61.300 0.163 0.000 1.451 87 I CB -0.641 37.486 38.000 0.211 0.000 1.093 87 I HN 0.104 nan 8.210 nan 0.000 0.430 88 A N 1.885 124.804 122.820 0.164 0.000 1.877 88 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 88 A C 2.470 180.149 177.584 0.159 0.000 1.186 88 A CA 1.816 53.954 52.037 0.169 0.000 0.620 88 A CB -0.905 18.120 19.000 0.041 0.000 0.822 88 A HN 0.576 nan 8.150 nan 0.000 0.443 89 I N -0.097 120.503 120.570 0.049 0.000 2.614 89 I HA -0.151 4.019 4.170 -0.001 0.000 0.258 89 I C 2.319 178.451 176.117 0.024 0.000 1.189 89 I CA 1.414 62.723 61.300 0.015 0.000 1.462 89 I CB -0.651 37.316 38.000 -0.056 0.000 1.092 89 I HN 0.327 nan 8.210 nan 0.000 0.442 90 A N -0.032 122.783 122.820 -0.008 0.000 2.067 90 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 90 A C 1.607 179.024 177.584 -0.279 0.000 1.158 90 A CA 0.936 52.838 52.037 -0.224 0.000 0.661 90 A CB -0.852 17.968 19.000 -0.300 0.000 0.801 90 A HN 0.472 nan 8.150 nan 0.000 0.452 91 F N -0.533 119.438 119.950 0.034 0.000 2.692 91 F HA 0.234 4.760 4.527 -0.001 0.000 0.303 91 F C 1.069 176.854 175.800 -0.025 0.000 1.114 91 F CA 0.587 58.589 58.000 0.004 0.000 1.361 91 F CB 0.308 39.257 39.000 -0.084 0.000 1.063 91 F HN 0.088 nan 8.300 nan 0.000 0.550 92 T N -0.630 113.982 114.554 0.098 0.000 2.865 92 T HA 0.210 4.559 4.350 -0.001 0.000 0.294 92 T C 0.245 174.970 174.700 0.043 0.000 1.119 92 T CA -0.780 61.362 62.100 0.071 0.000 1.007 92 T CB 1.066 69.982 68.868 0.079 0.000 1.225 92 T HN 0.335 nan 8.240 nan 0.000 0.515 93 N N 1.151 119.872 118.700 0.034 0.000 2.346 93 N HA 0.080 4.819 4.740 -0.001 0.000 0.225 93 N C -0.306 175.224 175.510 0.033 0.000 1.144 93 N CA -0.575 52.474 53.050 -0.002 0.000 0.837 93 N CB -0.200 38.262 38.487 -0.042 0.000 1.069 93 N HN 0.487 nan 8.380 nan 0.000 0.487 94 Y N 2.744 123.034 120.300 -0.017 0.000 2.770 94 Y HA -0.006 4.544 4.550 -0.001 0.000 0.342 94 Y C -0.012 175.962 175.900 0.124 0.000 1.221 94 Y CA -0.144 57.982 58.100 0.043 0.000 1.560 94 Y CB -0.175 38.315 38.460 0.050 0.000 1.213 94 Y HN 0.382 nan 8.280 nan 0.000 0.525 95 S N 1.544 117.077 115.700 -0.278 0.000 2.727 95 S HA 0.353 4.822 4.470 -0.001 0.000 0.278 95 S C 0.621 175.047 174.600 -0.290 0.000 1.186 95 S CA -0.386 57.618 58.200 -0.327 0.000 0.836 95 S CB 0.954 63.952 63.200 -0.337 0.000 1.186 95 S HN 0.453 nan 8.310 nan 0.000 0.499 96 S N 1.274 116.770 115.700 -0.339 0.000 2.380 96 S HA -0.060 4.409 4.470 -0.001 0.000 0.229 96 S C 0.866 175.398 174.600 -0.113 0.000 1.050 96 S CA 2.062 60.157 58.200 -0.176 0.000 1.100 96 S CB -0.893 62.193 63.200 -0.190 0.000 0.984 96 S HN 0.920 nan 8.310 nan 0.000 0.434 97 T N 2.745 117.232 114.554 -0.111 0.000 2.832 97 T HA 0.308 4.658 4.350 -0.001 0.000 0.296 97 T C 0.205 174.823 174.700 -0.136 0.000 0.968 97 T CA -0.495 61.571 62.100 -0.056 0.000 1.107 97 T CB 0.405 69.305 68.868 0.054 0.000 0.916 97 T HN 0.396 nan 8.240 nan 0.000 0.517 98 N N 1.295 119.870 118.700 -0.208 0.000 2.816 98 N HA -0.173 4.567 4.740 -0.001 0.000 0.247 98 N C 0.720 176.169 175.510 -0.102 0.000 1.100 98 N CA 0.586 53.488 53.050 -0.246 0.000 0.687 98 N CB -0.885 37.416 38.487 -0.310 0.000 1.003 98 N HN 0.798 nan 8.380 nan 0.000 0.554 99 Q N 0.336 120.092 119.800 -0.073 0.000 2.123 99 Q HA 0.224 4.563 4.340 -0.001 0.000 0.196 99 Q C 0.806 176.883 176.000 0.129 0.000 0.958 99 Q CA 0.813 56.591 55.803 -0.043 0.000 0.841 99 Q CB 0.303 29.021 28.738 -0.033 0.000 0.915 99 Q HN 0.570 nan 8.270 nan 0.000 0.455 100 L N 1.343 122.622 121.223 0.092 0.000 2.466 100 L HA 0.241 4.580 4.340 -0.001 0.000 0.257 100 L C 0.697 177.662 176.870 0.157 0.000 1.189 100 L CA -0.330 54.577 54.840 0.112 0.000 0.813 100 L CB 0.706 42.806 42.059 0.068 0.000 1.118 100 L HN 0.257 nan 8.230 nan 0.000 0.471 101 T N -2.491 112.139 114.554 0.126 0.000 2.816 101 T HA 0.086 4.436 4.350 -0.001 0.000 0.282 101 T C 0.838 175.610 174.700 0.120 0.000 0.993 101 T CA -0.321 61.861 62.100 0.137 0.000 0.994 101 T CB 0.591 69.509 68.868 0.082 0.000 1.025 101 T HN 0.492 nan 8.240 nan 0.000 0.529 102 F N 1.301 121.203 119.950 -0.080 0.000 2.126 102 F HA -0.062 4.465 4.527 -0.001 0.000 0.299 102 F C 2.243 177.938 175.800 -0.175 0.000 1.096 102 F CA 1.697 59.488 58.000 -0.349 0.000 1.255 102 F CB -0.236 38.407 39.000 -0.594 0.000 0.997 102 F HN 0.691 nan 8.300 nan 0.000 0.479 103 E N 0.158 120.207 120.200 -0.252 0.000 2.106 103 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 103 E C 2.201 178.666 176.600 -0.224 0.000 0.984 103 E CA 0.988 57.217 56.400 -0.285 0.000 0.806 103 E CB -0.194 29.451 29.700 -0.091 0.000 0.750 103 E HN 0.247 nan 8.360 nan 0.000 0.458 104 R N 0.224 120.650 120.500 -0.124 0.000 2.075 104 R HA 0.058 4.398 4.340 -0.001 0.000 0.232 104 R C 2.211 178.458 176.300 -0.089 0.000 1.126 104 R CA 1.248 57.303 56.100 -0.076 0.000 0.963 104 R CB -0.706 29.584 30.300 -0.016 0.000 0.858 104 R HN 0.228 nan 8.270 nan 0.000 0.435 105 A N 0.987 123.753 122.820 -0.090 0.000 1.898 105 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 105 A C 2.179 179.679 177.584 -0.139 0.000 1.181 105 A CA 1.357 53.365 52.037 -0.048 0.000 0.620 105 A CB -0.464 18.596 19.000 0.100 0.000 0.819 105 A HN 0.366 nan 8.150 nan 0.000 0.442 106 Q N -0.572 119.049 119.800 -0.299 0.000 2.084 106 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 106 Q C 2.071 177.925 176.000 -0.243 0.000 0.978 106 Q CA 1.777 57.372 55.803 -0.347 0.000 0.844 106 Q CB -0.157 28.242 28.738 -0.566 0.000 0.898 106 Q HN 0.798 nan 8.270 nan 0.000 0.426 107 E N -0.714 119.370 120.200 -0.193 0.000 2.077 107 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 107 E C 1.946 178.493 176.600 -0.088 0.000 0.989 107 E CA 1.235 57.562 56.400 -0.121 0.000 0.800 107 E CB 0.173 29.815 29.700 -0.096 0.000 0.746 107 E HN 0.237 nan 8.360 nan 0.000 0.452 108 V N 1.054 120.917 119.914 -0.085 0.000 2.358 108 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 108 V C 2.359 178.418 176.094 -0.058 0.000 1.047 108 V CA 1.372 63.639 62.300 -0.054 0.000 1.035 108 V CB -0.329 31.472 31.823 -0.038 0.000 0.658 108 V HN 0.323 nan 8.190 nan 0.000 0.452 109 L N -0.887 120.261 121.223 -0.127 0.000 2.093 109 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 109 L C 2.203 179.041 176.870 -0.055 0.000 1.085 109 L CA 1.353 56.084 54.840 -0.182 0.000 0.755 109 L CB -0.353 41.415 42.059 -0.485 0.000 0.904 109 L HN 0.280 nan 8.230 nan 0.000 0.435 110 L N -0.521 120.654 121.223 -0.080 0.000 2.551 110 L HA -0.148 4.192 4.340 -0.001 0.000 0.228 110 L C 1.538 178.423 176.870 0.025 0.000 1.153 110 L CA 0.503 55.340 54.840 -0.006 0.000 0.851 110 L CB -0.241 41.791 42.059 -0.045 0.000 0.959 110 L HN 0.253 nan 8.230 nan 0.000 0.451 111 D N -0.710 119.699 120.400 0.015 0.000 2.355 111 D HA -0.040 4.600 4.640 -0.001 0.000 0.206 111 D C 0.787 177.114 176.300 0.045 0.000 1.010 111 D CA -0.061 53.951 54.000 0.019 0.000 0.875 111 D CB 0.439 41.238 40.800 -0.001 0.000 0.966 111 D HN -0.129 nan 8.370 nan 0.000 0.512 112 R N 1.321 121.869 120.500 0.080 0.000 2.488 112 R HA 0.076 4.416 4.340 -0.001 0.000 0.317 112 R C 0.175 176.531 176.300 0.093 0.000 0.941 112 R CA 0.098 56.258 56.100 0.100 0.000 1.076 112 R CB -0.292 30.113 30.300 0.174 0.000 0.917 112 R HN 0.207 nan 8.270 nan 0.000 0.407 113 S N 2.305 118.054 115.700 0.080 0.000 2.610 113 S HA 0.546 5.015 4.470 -0.001 0.000 0.273 113 S C -0.587 174.114 174.600 0.169 0.000 1.274 113 S CA -0.927 57.329 58.200 0.093 0.000 1.023 113 S CB 1.571 64.795 63.200 0.040 0.000 0.962 113 S HN 0.700 nan 8.310 nan 0.000 0.523 114 W N 1.941 123.210 121.300 -0.051 0.000 2.968 114 W HA 0.385 5.044 4.660 -0.001 0.000 0.337 114 W C -1.383 175.112 176.519 -0.040 0.000 1.060 114 W CA -0.504 56.807 57.345 -0.056 0.000 1.240 114 W CB 1.317 30.724 29.460 -0.089 0.000 1.370 114 W HN 0.624 nan 8.180 nan 0.000 0.459 115 Q N 4.334 123.908 119.800 -0.376 0.000 2.349 115 Q HA 0.505 4.845 4.340 -0.001 0.000 0.254 115 Q C 0.144 175.734 176.000 -0.684 0.000 0.980 115 Q CA 0.510 56.040 55.803 -0.455 0.000 0.924 115 Q CB 1.771 30.394 28.738 -0.193 0.000 1.209 115 Q HN 0.785 nan 8.270 nan 0.000 0.445 116 A N 3.261 125.594 122.820 -0.812 0.000 2.127 116 A HA 0.359 4.679 4.320 -0.001 0.000 0.204 116 A C 0.978 178.380 177.584 -0.303 0.000 1.243 116 A CA 0.813 52.454 52.037 -0.661 0.000 0.887 116 A CB 0.208 18.611 19.000 -0.995 0.000 0.933 116 A HN 0.700 nan 8.150 nan 0.000 0.479 117 G N 0.019 108.670 108.800 -0.249 0.000 3.137 117 G HA2 0.495 4.454 3.960 -0.001 0.000 0.163 117 G HA3 0.495 4.454 3.960 -0.001 0.000 0.163 117 G C -0.290 174.553 174.900 -0.094 0.000 1.602 117 G CA -0.362 44.670 45.100 -0.113 0.000 1.067 117 G HN 0.300 nan 8.290 nan 0.000 0.568 118 K N -0.271 120.090 120.400 -0.065 0.000 2.469 118 K HA 0.476 4.796 4.320 -0.001 0.000 0.254 118 K C -0.615 175.845 176.600 -0.234 0.000 0.939 118 K CA -0.595 55.569 56.287 -0.205 0.000 0.812 118 K CB 2.187 34.464 32.500 -0.372 0.000 1.301 118 K HN 0.611 nan 8.250 nan 0.000 0.433 119 T N -1.154 113.265 114.554 -0.224 0.000 2.913 119 T HA 0.224 4.573 4.350 -0.001 0.000 0.297 119 T C 0.176 174.737 174.700 -0.232 0.000 1.029 119 T CA 0.060 62.099 62.100 -0.102 0.000 1.104 119 T CB 0.375 69.219 68.868 -0.039 0.000 0.964 119 T HN 0.595 nan 8.240 nan 0.000 0.532 120 Y N -0.170 120.210 120.300 0.132 0.000 2.448 120 Y HA 0.240 4.789 4.550 -0.001 0.000 0.257 120 Y C 0.295 176.299 175.900 0.172 0.000 1.089 120 Y CA -0.858 57.333 58.100 0.151 0.000 1.245 120 Y CB 0.398 38.952 38.460 0.157 0.000 1.282 120 Y HN 0.654 nan 8.280 nan 0.000 0.529 121 N N 1.380 120.263 118.700 0.306 0.000 2.501 121 N HA -0.234 4.506 4.740 -0.001 0.000 0.291 121 N C -0.770 174.891 175.510 0.252 0.000 1.304 121 N CA 0.878 54.059 53.050 0.217 0.000 0.686 121 N CB -1.660 36.897 38.487 0.118 0.000 0.924 121 N HN 0.463 nan 8.380 nan 0.000 0.533 122 F N -0.405 119.670 119.950 0.208 0.000 2.370 122 F HA 0.813 5.339 4.527 -0.001 0.000 0.319 122 F C 0.960 176.835 175.800 0.125 0.000 1.129 122 F CA -0.590 57.500 58.000 0.151 0.000 1.109 122 F CB 0.865 39.949 39.000 0.140 0.000 1.262 122 F HN 0.257 nan 8.300 nan 0.000 0.534 123 G N 2.206 111.114 108.800 0.180 0.000 2.563 123 G HA2 0.581 4.540 3.960 -0.001 0.000 0.302 123 G HA3 0.581 4.540 3.960 -0.001 0.000 0.302 123 G C -2.263 172.723 174.900 0.143 0.000 1.301 123 G CA -1.034 44.047 45.100 -0.032 0.000 0.965 123 G HN 0.909 nan 8.290 nan 0.000 0.480 124 L N 1.034 122.190 121.223 -0.113 0.000 2.313 124 L HA 0.569 4.909 4.340 -0.001 0.000 0.283 124 L C -1.308 175.487 176.870 -0.125 0.000 1.013 124 L CA -0.949 53.953 54.840 0.103 0.000 0.816 124 L CB 1.437 43.605 42.059 0.181 0.000 1.236 124 L HN 0.551 nan 8.230 nan 0.000 0.419 125 Y N 4.694 125.222 120.300 0.380 0.000 2.338 125 Y HA 0.376 4.925 4.550 -0.001 0.000 0.333 125 Y C -2.114 173.937 175.900 0.251 0.000 0.968 125 Y CA -2.507 55.762 58.100 0.281 0.000 1.123 125 Y CB 1.602 40.160 38.460 0.162 0.000 1.165 125 Y HN 0.415 nan 8.280 nan 0.000 0.452 126 P HA 0.232 nan 4.420 nan 0.000 0.276 126 P C -0.780 176.404 177.300 -0.194 0.000 1.235 126 P CA -0.079 62.825 63.100 -0.327 0.000 0.772 126 P CB 1.299 32.724 31.700 -0.459 0.000 0.871 127 A N 3.310 125.954 122.820 -0.292 0.000 2.709 127 A HA 0.635 4.955 4.320 -0.001 0.000 0.332 127 A C 0.936 178.381 177.584 -0.232 0.000 1.241 127 A CA 0.077 52.005 52.037 -0.182 0.000 0.782 127 A CB -0.297 18.640 19.000 -0.105 0.000 1.109 127 A HN 0.782 nan 8.150 nan 0.000 0.472 128 G N 2.166 110.839 108.800 -0.213 0.000 2.574 128 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.301 128 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.301 128 G C 0.470 175.201 174.900 -0.282 0.000 1.166 128 G CA 0.953 45.935 45.100 -0.198 0.000 0.971 128 G HN 0.560 nan 8.290 nan 0.000 0.542 129 D N 2.270 122.520 120.400 -0.251 0.000 2.350 129 D HA 0.310 4.949 4.640 -0.001 0.000 0.213 129 D C 1.221 177.282 176.300 -0.398 0.000 1.031 129 D CA 0.916 54.752 54.000 -0.273 0.000 0.861 129 D CB 0.317 41.025 40.800 -0.153 0.000 0.926 129 D HN 0.604 nan 8.370 nan 0.000 0.520 130 E N -0.992 118.940 120.200 -0.446 0.000 2.285 130 E HA 0.503 4.853 4.350 -0.001 0.000 0.254 130 E C -0.630 175.505 176.600 -0.776 0.000 1.011 130 E CA -0.884 55.212 56.400 -0.507 0.000 0.873 130 E CB 1.266 30.799 29.700 -0.278 0.000 1.229 130 E HN -0.013 nan 8.360 nan 0.000 0.422 131 W N 0.191 121.128 121.300 -0.605 0.000 2.850 131 W HA 0.438 5.097 4.660 -0.001 0.000 0.349 131 W C -0.521 175.756 176.519 -0.404 0.000 1.133 131 W CA -0.444 56.529 57.345 -0.620 0.000 1.117 131 W CB 1.400 30.226 29.460 -1.057 0.000 1.442 131 W HN 0.266 nan 8.180 nan 0.000 0.575 132 Q N 1.789 121.774 119.800 0.308 0.000 2.263 132 Q HA 0.316 4.656 4.340 -0.001 0.000 0.262 132 Q C -1.698 174.649 176.000 0.578 0.000 0.984 132 Q CA -0.707 55.379 55.803 0.471 0.000 0.813 132 Q CB 1.873 30.774 28.738 0.272 0.000 1.299 132 Q HN 0.363 nan 8.270 nan 0.000 0.428 133 L N 2.498 124.028 121.223 0.512 0.000 2.334 133 L HA 0.841 5.181 4.340 -0.001 0.000 0.277 133 L C -0.941 176.045 176.870 0.194 0.000 1.075 133 L CA 0.198 55.208 54.840 0.283 0.000 0.804 133 L CB 1.324 43.340 42.059 -0.072 0.000 1.174 133 L HN 0.847 nan 8.230 nan 0.000 0.438 134 A N 5.896 128.864 122.820 0.246 0.000 2.414 134 A HA 0.790 5.110 4.320 -0.001 0.000 0.306 134 A C -1.394 176.294 177.584 0.174 0.000 1.054 134 A CA -0.545 51.615 52.037 0.206 0.000 0.724 134 A CB 1.544 20.727 19.000 0.304 0.000 1.267 134 A HN 0.648 nan 8.150 nan 0.000 0.418 135 L N 1.833 123.146 121.223 0.149 0.000 2.410 135 L HA 0.573 4.913 4.340 -0.001 0.000 0.270 135 L C -0.302 176.764 176.870 0.327 0.000 0.983 135 L CA -0.604 54.350 54.840 0.191 0.000 0.822 135 L CB 2.584 44.619 42.059 -0.041 0.000 1.285 135 L HN 0.792 nan 8.230 nan 0.000 0.409 136 S N -0.238 115.679 115.700 0.362 0.000 2.640 136 S HA 0.309 4.779 4.470 -0.001 0.000 0.320 136 S C -0.764 174.062 174.600 0.377 0.000 1.097 136 S CA -0.907 57.480 58.200 0.312 0.000 1.092 136 S CB 1.809 65.115 63.200 0.176 0.000 0.988 136 S HN 0.530 nan 8.310 nan 0.000 0.470 137 D N 2.678 123.332 120.400 0.424 0.000 2.401 137 D HA 0.215 4.854 4.640 -0.001 0.000 0.254 137 D C 1.452 177.800 176.300 0.080 0.000 1.192 137 D CA 0.387 54.540 54.000 0.255 0.000 0.885 137 D CB 1.234 42.259 40.800 0.374 0.000 1.147 137 D HN 0.673 nan 8.370 nan 0.000 0.478 138 G N 4.489 113.275 108.800 -0.023 0.000 2.446 138 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 138 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 138 G C 0.888 175.784 174.900 -0.006 0.000 1.168 138 G CA 0.502 45.591 45.100 -0.018 0.000 0.771 138 G HN 0.443 nan 8.290 nan 0.000 0.551 139 E N -0.660 119.530 120.200 -0.016 0.000 2.359 139 E HA 0.300 4.649 4.350 -0.001 0.000 0.255 139 E C 1.709 178.328 176.600 0.032 0.000 1.191 139 E CA 0.801 57.203 56.400 0.003 0.000 0.952 139 E CB 0.805 30.501 29.700 -0.006 0.000 1.152 139 E HN 0.352 nan 8.360 nan 0.000 0.496 140 T N -2.214 112.359 114.554 0.031 0.000 10.479 140 T HA -0.329 4.020 4.350 -0.001 0.000 0.411 140 T C 1.167 175.884 174.700 0.028 0.000 1.504 140 T CA 2.526 64.650 62.100 0.039 0.000 2.475 140 T CB -1.807 67.103 68.868 0.069 0.000 2.895 140 T HN 1.444 nan 8.240 nan 0.000 1.096 141 G N 1.771 110.590 108.800 0.032 0.000 2.176 141 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.252 141 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.252 141 G C -0.145 174.747 174.900 -0.013 0.000 1.024 141 G CA 0.510 45.618 45.100 0.014 0.000 0.755 141 G HN 0.959 nan 8.290 nan 0.000 0.507 142 K N 0.389 120.786 120.400 -0.005 0.000 2.174 142 K HA 0.432 4.752 4.320 -0.001 0.000 0.275 142 K C 0.062 176.515 176.600 -0.246 0.000 1.015 142 K CA -0.547 55.644 56.287 -0.160 0.000 0.933 142 K CB 0.864 33.272 32.500 -0.154 0.000 1.025 142 K HN 0.229 nan 8.250 nan 0.000 0.463 143 N N 1.713 120.141 118.700 -0.454 0.000 2.269 143 N HA 0.389 5.128 4.740 -0.001 0.000 0.304 143 N C -1.172 173.989 175.510 -0.582 0.000 1.072 143 N CA -0.444 52.408 53.050 -0.331 0.000 0.802 143 N CB 1.331 39.732 38.487 -0.143 0.000 1.348 143 N HN 0.335 nan 8.380 nan 0.000 0.484 144 Y N 0.440 120.734 120.300 -0.009 0.000 2.442 144 Y HA 0.548 5.097 4.550 -0.001 0.000 0.344 144 Y C -0.209 175.661 175.900 -0.050 0.000 0.976 144 Y CA -0.730 57.342 58.100 -0.047 0.000 1.040 144 Y CB 2.059 40.462 38.460 -0.096 0.000 1.228 144 Y HN 0.175 nan 8.280 nan 0.000 0.451 145 L N 2.539 123.816 121.223 0.090 0.000 2.370 145 L HA 0.670 5.009 4.340 -0.001 0.000 0.266 145 L C -0.223 176.664 176.870 0.029 0.000 1.002 145 L CA -0.745 54.120 54.840 0.042 0.000 0.818 145 L CB 2.383 44.442 42.059 -0.001 0.000 1.325 145 L HN 0.819 nan 8.230 nan 0.000 0.418 146 S N -0.310 115.404 115.700 0.022 0.000 2.713 146 S HA 0.477 4.946 4.470 -0.001 0.000 0.283 146 S C -0.572 174.059 174.600 0.052 0.000 1.161 146 S CA -1.049 57.150 58.200 -0.002 0.000 0.999 146 S CB 1.659 64.811 63.200 -0.081 0.000 1.039 146 S HN 0.460 nan 8.310 nan 0.000 0.548 147 D N 0.858 121.286 120.400 0.047 0.000 2.371 147 D HA 0.439 5.078 4.640 -0.001 0.000 0.242 147 D C 0.374 176.775 176.300 0.169 0.000 1.218 147 D CA 0.016 54.062 54.000 0.076 0.000 0.945 147 D CB 0.479 41.307 40.800 0.048 0.000 1.137 147 D HN 0.851 nan 8.370 nan 0.000 0.464 148 A N 0.501 123.397 122.820 0.125 0.000 2.520 148 A HA 0.397 4.717 4.320 -0.001 0.000 0.245 148 A C -0.438 177.262 177.584 0.194 0.000 1.072 148 A CA 0.124 52.234 52.037 0.121 0.000 0.761 148 A CB -0.627 18.379 19.000 0.010 0.000 1.004 148 A HN 0.450 nan 8.150 nan 0.000 0.499 149 F N 0.169 120.101 119.950 -0.030 0.000 2.613 149 F HA 0.766 5.293 4.527 -0.001 0.000 0.310 149 F C -0.590 175.161 175.800 -0.082 0.000 1.085 149 F CA -1.320 56.653 58.000 -0.045 0.000 0.945 149 F CB 1.408 40.385 39.000 -0.039 0.000 1.298 149 F HN 0.471 nan 8.300 nan 0.000 0.455 150 K N 1.883 122.242 120.400 -0.069 0.000 2.123 150 K HA 0.531 4.851 4.320 -0.001 0.000 0.248 150 K C -1.208 175.379 176.600 -0.021 0.000 0.969 150 K CA -0.707 55.491 56.287 -0.148 0.000 0.882 150 K CB 1.739 34.236 32.500 -0.006 0.000 1.080 150 K HN 0.581 nan 8.250 nan 0.000 0.441 151 F N 0.346 120.370 119.950 0.123 0.000 2.378 151 F HA 0.406 4.933 4.527 -0.001 0.000 0.319 151 F C 1.061 176.923 175.800 0.103 0.000 1.155 151 F CA 0.327 58.400 58.000 0.122 0.000 1.157 151 F CB 1.349 40.370 39.000 0.036 0.000 1.252 151 F HN 0.672 nan 8.300 nan 0.000 0.550 152 G N 1.080 110.078 108.800 0.330 0.000 3.435 152 G HA2 0.457 4.417 3.960 -0.001 0.000 0.683 152 G HA3 0.457 4.417 3.960 -0.001 0.000 0.683 152 G C -0.460 174.523 174.900 0.139 0.000 1.189 152 G CA -0.575 44.631 45.100 0.177 0.000 1.069 152 G HN 1.525 nan 8.290 nan 0.000 0.508 153 G N 0.940 109.797 108.800 0.095 0.000 2.828 153 G HA2 0.139 4.098 3.960 -0.001 0.000 0.463 153 G HA3 0.139 4.098 3.960 -0.001 0.000 0.463 153 G C -0.030 174.912 174.900 0.071 0.000 1.394 153 G CA 0.195 45.336 45.100 0.068 0.000 0.862 153 G HN 1.355 nan 8.290 nan 0.000 0.540 154 E N 0.921 121.149 120.200 0.046 0.000 2.360 154 E HA 0.432 4.781 4.350 -0.001 0.000 0.269 154 E C 0.653 177.276 176.600 0.040 0.000 1.022 154 E CA 0.550 56.971 56.400 0.035 0.000 0.887 154 E CB 0.557 30.268 29.700 0.019 0.000 0.990 154 E HN 0.686 nan 8.360 nan 0.000 0.426 155 Q N 1.626 121.444 119.800 0.031 0.000 2.438 155 Q HA 0.427 4.767 4.340 -0.001 0.000 0.272 155 Q C -1.450 174.538 176.000 -0.020 0.000 0.994 155 Q CA -1.066 54.747 55.803 0.017 0.000 0.887 155 Q CB 1.468 30.233 28.738 0.044 0.000 1.432 155 Q HN 0.163 nan 8.270 nan 0.000 0.392 156 K N 2.046 122.427 120.400 -0.032 0.000 2.185 156 K HA 0.603 4.922 4.320 -0.001 0.000 0.269 156 K C -0.922 175.626 176.600 -0.087 0.000 0.987 156 K CA -0.751 55.501 56.287 -0.057 0.000 0.865 156 K CB 1.124 33.599 32.500 -0.041 0.000 1.090 156 K HN 0.549 nan 8.250 nan 0.000 0.450 157 L N -0.029 121.111 121.223 -0.139 0.000 2.385 157 L HA 0.482 4.822 4.340 -0.001 0.000 0.273 157 L C -0.529 176.257 176.870 -0.140 0.000 0.990 157 L CA -1.038 53.706 54.840 -0.160 0.000 0.821 157 L CB 1.377 43.266 42.059 -0.283 0.000 1.279 157 L HN 0.371 nan 8.230 nan 0.000 0.412 158 Q N 2.185 121.926 119.800 -0.097 0.000 2.296 158 Q HA 0.590 4.930 4.340 -0.001 0.000 0.262 158 Q C -1.215 174.735 176.000 -0.083 0.000 0.981 158 Q CA 0.354 56.108 55.803 -0.083 0.000 0.905 158 Q CB 0.912 29.620 28.738 -0.050 0.000 1.186 158 Q HN 0.774 nan 8.270 nan 0.000 0.399 159 L N 3.762 124.926 121.223 -0.098 0.000 2.343 159 L HA 0.540 4.880 4.340 -0.001 0.000 0.275 159 L C -0.010 176.866 176.870 0.011 0.000 1.056 159 L CA -0.585 54.217 54.840 -0.065 0.000 0.804 159 L CB 1.470 43.445 42.059 -0.141 0.000 1.203 159 L HN 0.520 nan 8.230 nan 0.000 0.440 160 K N 1.416 121.859 120.400 0.071 0.000 2.259 160 K HA 0.274 4.594 4.320 -0.001 0.000 0.252 160 K C -0.754 175.939 176.600 0.156 0.000 0.936 160 K CA -0.785 55.559 56.287 0.096 0.000 0.810 160 K CB 2.199 34.721 32.500 0.037 0.000 1.143 160 K HN 0.449 nan 8.250 nan 0.000 0.427 161 E N 2.487 122.771 120.200 0.139 0.000 1.795 161 E HA -0.028 4.322 4.350 -0.001 0.000 0.261 161 E C -0.529 176.008 176.600 -0.104 0.000 1.238 161 E CA 0.066 56.433 56.400 -0.055 0.000 1.001 161 E CB 0.371 30.042 29.700 -0.049 0.000 1.065 161 E HN 0.381 nan 8.360 nan 0.000 0.418 162 T N 1.837 116.319 114.554 -0.120 0.000 2.828 162 T HA 0.057 4.407 4.350 -0.001 0.000 0.290 162 T C 0.849 175.476 174.700 -0.122 0.000 1.019 162 T CA 0.109 62.151 62.100 -0.096 0.000 1.031 162 T CB 1.463 70.286 68.868 -0.076 0.000 1.001 162 T HN 0.462 nan 8.240 nan 0.000 0.531 163 T N 0.650 115.151 114.554 -0.088 0.000 2.986 163 T HA 0.589 4.938 4.350 -0.001 0.000 0.264 163 T C 0.249 174.908 174.700 -0.067 0.000 0.964 163 T CA 0.393 62.445 62.100 -0.080 0.000 0.895 163 T CB -0.118 68.713 68.868 -0.062 0.000 1.163 163 T HN 0.771 nan 8.240 nan 0.000 0.517 164 A N 0.875 123.654 122.820 -0.067 0.000 2.309 164 A HA 0.843 5.163 4.320 -0.001 0.000 0.317 164 A C -0.583 176.951 177.584 -0.084 0.000 1.134 164 A CA -0.677 51.322 52.037 -0.064 0.000 0.866 164 A CB 0.958 19.925 19.000 -0.054 0.000 1.329 164 A HN 0.304 nan 8.150 nan 0.000 0.477 165 Q N 0.950 120.699 119.800 -0.085 0.000 2.259 165 Q HA 0.419 4.759 4.340 -0.001 0.000 0.246 165 Q C -2.178 173.728 176.000 -0.157 0.000 0.920 165 Q CA -1.480 54.249 55.803 -0.123 0.000 0.895 165 Q CB 0.711 29.397 28.738 -0.087 0.000 1.220 165 Q HN 0.563 nan 8.270 nan 0.000 0.439 166 P HA 0.183 nan 4.420 nan 0.000 0.278 166 P C -0.753 176.452 177.300 -0.159 0.000 1.238 166 P CA -0.284 62.660 63.100 -0.261 0.000 0.794 166 P CB 0.991 32.386 31.700 -0.508 0.000 0.955 167 E N 0.637 120.790 120.200 -0.078 0.000 2.338 167 E HA 0.448 4.798 4.350 -0.001 0.000 0.272 167 E C 0.329 176.940 176.600 0.019 0.000 1.029 167 E CA -0.057 56.326 56.400 -0.028 0.000 0.872 167 E CB 0.303 29.986 29.700 -0.028 0.000 1.015 167 E HN 0.800 nan 8.360 nan 0.000 0.417 168 G N 2.662 111.492 108.800 0.050 0.000 3.055 168 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.686 168 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.686 168 G C -0.673 174.353 174.900 0.210 0.000 1.087 168 G CA -0.937 44.220 45.100 0.095 0.000 0.779 168 G HN 0.523 nan 8.290 nan 0.000 0.599 169 E N 1.103 121.398 120.200 0.158 0.000 2.398 169 E HA 0.198 4.547 4.350 -0.001 0.000 0.263 169 E C 1.197 177.897 176.600 0.168 0.000 1.046 169 E CA -0.338 56.165 56.400 0.171 0.000 0.908 169 E CB 0.843 30.598 29.700 0.093 0.000 0.963 169 E HN 0.583 nan 8.360 nan 0.000 0.431 170 R N 1.258 121.814 120.500 0.094 0.000 2.585 170 R HA 0.060 4.400 4.340 -0.001 0.000 0.275 170 R C -0.562 175.668 176.300 -0.116 0.000 1.018 170 R CA -0.053 55.884 56.100 -0.273 0.000 1.072 170 R CB 0.385 30.546 30.300 -0.233 0.000 0.953 170 R HN 0.550 nan 8.270 nan 0.000 0.419 171 A N 4.242 126.987 122.820 -0.126 0.000 2.371 171 A HA 0.166 4.485 4.320 -0.001 0.000 0.257 171 A C -0.337 177.227 177.584 -0.032 0.000 1.089 171 A CA -0.625 51.421 52.037 0.015 0.000 0.794 171 A CB 0.342 19.399 19.000 0.094 0.000 1.029 171 A HN 0.861 nan 8.150 nan 0.000 0.488 172 N N 0.194 118.897 118.700 0.004 0.000 2.297 172 N HA 0.047 4.786 4.740 -0.001 0.000 0.232 172 N C 1.281 176.773 175.510 -0.029 0.000 1.311 172 N CA -0.370 52.673 53.050 -0.012 0.000 0.897 172 N CB 0.181 38.673 38.487 0.009 0.000 1.137 172 N HN 0.628 nan 8.380 nan 0.000 0.449 173 L N 0.482 121.686 121.223 -0.031 0.000 2.083 173 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 173 L C 2.471 179.328 176.870 -0.022 0.000 1.083 173 L CA 1.241 56.062 54.840 -0.031 0.000 0.752 173 L CB -0.129 41.913 42.059 -0.028 0.000 0.899 173 L HN 0.578 nan 8.230 nan 0.000 0.433 174 R N -0.539 119.952 120.500 -0.015 0.000 2.096 174 R HA -0.186 4.154 4.340 -0.001 0.000 0.240 174 R C 2.055 178.341 176.300 -0.024 0.000 1.139 174 R CA 2.187 58.279 56.100 -0.013 0.000 0.952 174 R CB -0.374 29.925 30.300 -0.000 0.000 0.854 174 R HN 0.215 nan 8.270 nan 0.000 0.436 175 V N 1.805 121.708 119.914 -0.018 0.000 2.295 175 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 175 V C 2.320 178.342 176.094 -0.121 0.000 1.049 175 V CA 1.960 64.233 62.300 -0.045 0.000 1.024 175 V CB -0.597 31.230 31.823 0.007 0.000 0.648 175 V HN 0.594 nan 8.190 nan 0.000 0.447 176 I N -1.201 119.324 120.570 -0.075 0.000 2.546 176 I HA -0.101 4.069 4.170 -0.001 0.000 0.255 176 I C 2.053 178.139 176.117 -0.052 0.000 1.163 176 I CA 1.872 63.150 61.300 -0.038 0.000 1.457 176 I CB -1.088 36.976 38.000 0.107 0.000 1.092 176 I HN 0.121 nan 8.210 nan 0.000 0.434 177 T N 0.220 114.744 114.554 -0.050 0.000 2.851 177 T HA -0.075 4.274 4.350 -0.001 0.000 0.262 177 T C 1.847 176.494 174.700 -0.089 0.000 1.043 177 T CA 1.530 63.598 62.100 -0.053 0.000 1.140 177 T CB -0.258 68.590 68.868 -0.033 0.000 0.872 177 T HN 0.468 nan 8.240 nan 0.000 0.446 178 Q N 0.990 120.732 119.800 -0.096 0.000 2.226 178 Q HA 0.009 4.348 4.340 -0.001 0.000 0.204 178 Q C 1.263 177.154 176.000 -0.182 0.000 0.975 178 Q CA 0.778 56.517 55.803 -0.106 0.000 0.866 178 Q CB 0.026 28.720 28.738 -0.073 0.000 0.915 178 Q HN 0.391 nan 8.270 nan 0.000 0.440 179 N N 0.248 118.776 118.700 -0.287 0.000 2.238 179 N HA 0.023 4.762 4.740 -0.001 0.000 0.222 179 N C 0.960 176.206 175.510 -0.440 0.000 1.133 179 N CA 0.022 52.762 53.050 -0.518 0.000 0.854 179 N CB 0.370 38.276 38.487 -0.969 0.000 1.041 179 N HN 0.336 nan 8.380 nan 0.000 0.510 180 R N 0.487 120.841 120.500 -0.243 0.000 2.120 180 R HA -0.144 4.196 4.340 -0.001 0.000 0.234 180 R C 1.820 178.019 176.300 -0.167 0.000 1.123 180 R CA 1.160 57.158 56.100 -0.169 0.000 0.975 180 R CB -0.122 30.117 30.300 -0.101 0.000 0.866 180 R HN -0.017 nan 8.270 nan 0.000 0.446 181 Q N 1.427 121.129 119.800 -0.164 0.000 2.020 181 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 181 Q C 2.186 178.113 176.000 -0.121 0.000 0.982 181 Q CA 2.474 58.204 55.803 -0.122 0.000 0.838 181 Q CB -0.426 28.254 28.738 -0.098 0.000 0.899 181 Q HN 0.453 nan 8.270 nan 0.000 0.423 182 A N -0.173 122.541 122.820 -0.176 0.000 1.930 182 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 182 A C 1.994 179.548 177.584 -0.050 0.000 1.175 182 A CA 1.260 53.234 52.037 -0.104 0.000 0.627 182 A CB -0.689 18.220 19.000 -0.152 0.000 0.815 182 A HN 0.445 nan 8.150 nan 0.000 0.443 183 L N 0.771 121.886 121.223 -0.180 0.000 2.201 183 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 183 L C 2.677 179.502 176.870 -0.075 0.000 1.105 183 L CA 2.208 57.015 54.840 -0.054 0.000 0.775 183 L CB -0.377 41.598 42.059 -0.141 0.000 0.913 183 L HN 0.522 nan 8.230 nan 0.000 0.440 184 S N -2.705 112.921 115.700 -0.123 0.000 2.461 184 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 184 S C 1.546 176.088 174.600 -0.097 0.000 1.005 184 S CA 0.697 58.806 58.200 -0.153 0.000 0.942 184 S CB -0.343 62.777 63.200 -0.133 0.000 0.776 184 S HN 0.415 nan 8.310 nan 0.000 0.514 185 D N 1.392 121.768 120.400 -0.040 0.000 2.323 185 D HA 0.181 4.821 4.640 -0.001 0.000 0.209 185 D C 0.782 177.091 176.300 0.014 0.000 0.973 185 D CA 0.121 54.116 54.000 -0.008 0.000 0.874 185 D CB 0.031 40.839 40.800 0.015 0.000 0.930 185 D HN 0.546 nan 8.370 nan 0.000 0.521 186 I N 1.107 121.701 120.570 0.040 0.000 2.416 186 I HA 0.085 4.255 4.170 -0.001 0.000 0.288 186 I C -0.289 175.857 176.117 0.048 0.000 1.051 186 I CA 0.140 61.464 61.300 0.039 0.000 1.375 186 I CB 1.192 39.208 38.000 0.027 0.000 1.407 186 I HN -0.262 nan 8.210 nan 0.000 0.516 187 T N 6.702 121.261 114.554 0.009 0.000 2.947 187 T HA 0.630 4.980 4.350 -0.001 0.000 0.337 187 T C 0.006 174.696 174.700 -0.016 0.000 1.139 187 T CA -0.463 61.645 62.100 0.014 0.000 0.992 187 T CB 0.130 68.989 68.868 -0.014 0.000 1.043 187 T HN 0.795 nan 8.240 nan 0.000 0.498 188 A N 5.191 128.021 122.820 0.016 0.000 2.425 188 A HA 0.668 4.988 4.320 -0.001 0.000 0.249 188 A C 0.023 177.533 177.584 -0.123 0.000 1.084 188 A CA -0.671 51.297 52.037 -0.116 0.000 0.781 188 A CB 0.091 18.948 19.000 -0.239 0.000 1.019 188 A HN 0.994 nan 8.150 nan 0.000 0.490 189 I N 3.158 123.633 120.570 -0.158 0.000 2.466 189 I HA 0.348 4.518 4.170 -0.001 0.000 0.289 189 I C -0.946 175.050 176.117 -0.203 0.000 1.026 189 I CA -0.986 60.223 61.300 -0.152 0.000 1.078 189 I CB 0.971 38.911 38.000 -0.101 0.000 1.249 189 I HN 0.445 nan 8.210 nan 0.000 0.429 190 L N 8.976 130.044 121.223 -0.257 0.000 2.466 190 L HA 0.321 4.661 4.340 -0.001 0.000 0.257 190 L C -1.500 175.255 176.870 -0.191 0.000 1.189 190 L CA -1.468 53.163 54.840 -0.348 0.000 0.813 190 L CB 0.005 41.780 42.059 -0.472 0.000 1.118 190 L HN 0.464 nan 8.230 nan 0.000 0.471 191 P HA -0.141 nan 4.420 nan 0.000 0.219 191 P C 0.725 178.012 177.300 -0.021 0.000 1.146 191 P CA 1.048 64.132 63.100 -0.027 0.000 0.808 191 P CB 0.224 31.968 31.700 0.075 0.000 0.779 192 D N -1.694 118.682 120.400 -0.039 0.000 2.103 192 D HA 0.005 4.645 4.640 -0.001 0.000 0.199 192 D C 1.699 177.982 176.300 -0.028 0.000 0.978 192 D CA 1.855 55.845 54.000 -0.017 0.000 0.829 192 D CB -1.000 39.797 40.800 -0.004 0.000 0.981 192 D HN 0.258 nan 8.370 nan 0.000 0.464 193 G N -0.502 108.266 108.800 -0.052 0.000 3.468 193 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.219 193 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.219 193 G C -0.321 174.549 174.900 -0.051 0.000 0.968 193 G CA -0.119 44.954 45.100 -0.044 0.000 0.851 193 G HN 0.528 nan 8.290 nan 0.000 0.524 194 N N 1.371 120.036 118.700 -0.057 0.000 2.520 194 N HA 0.278 5.017 4.740 -0.001 0.000 0.273 194 N C -0.396 175.072 175.510 -0.070 0.000 1.155 194 N CA -0.057 52.963 53.050 -0.050 0.000 0.967 194 N CB 1.577 40.045 38.487 -0.031 0.000 1.092 194 N HN 0.170 nan 8.380 nan 0.000 0.457 195 K N 1.058 121.426 120.400 -0.052 0.000 2.326 195 K HA 0.263 4.582 4.320 -0.001 0.000 0.275 195 K C -0.817 175.758 176.600 -0.041 0.000 1.018 195 K CA -0.318 55.938 56.287 -0.051 0.000 0.962 195 K CB 1.074 33.552 32.500 -0.036 0.000 0.953 195 K HN 0.346 nan 8.250 nan 0.000 0.475 196 V N 4.986 124.885 119.914 -0.025 0.000 2.612 196 V HA 0.275 4.395 4.120 -0.001 0.000 0.301 196 V C -0.451 175.707 176.094 0.106 0.000 1.059 196 V CA -0.786 61.536 62.300 0.037 0.000 0.886 196 V CB 1.761 33.603 31.823 0.032 0.000 1.007 196 V HN 0.744 nan 8.190 nan 0.000 0.426 197 M N 4.010 123.608 119.600 -0.003 0.000 2.613 197 M HA 0.556 5.036 4.480 -0.001 0.000 0.301 197 M C -0.094 175.867 176.300 -0.565 0.000 1.205 197 M CA -0.647 54.551 55.300 -0.169 0.000 0.950 197 M CB 1.852 34.356 32.600 -0.160 0.000 1.585 197 M HN 0.591 nan 8.290 nan 0.000 0.490 198 M N 1.351 120.322 119.600 -1.050 0.000 2.188 198 M HA 0.058 4.537 4.480 -0.001 0.000 0.354 198 M C 0.651 176.628 176.300 -0.538 0.000 1.342 198 M CA 0.275 54.783 55.300 -1.321 0.000 1.117 198 M CB 0.734 32.562 32.600 -1.288 0.000 1.670 198 M HN 0.859 nan 8.290 nan 0.000 0.466 199 S N 1.835 117.330 115.700 -0.340 0.000 2.564 199 S HA 0.197 4.667 4.470 -0.001 0.000 0.231 199 S C 0.450 175.000 174.600 -0.084 0.000 1.067 199 S CA 0.287 58.392 58.200 -0.158 0.000 0.908 199 S CB 0.133 63.278 63.200 -0.091 0.000 0.809 199 S HN 0.784 nan 8.310 nan 0.000 0.491 200 S N -0.060 115.621 115.700 -0.032 0.000 2.720 200 S HA 0.591 5.061 4.470 -0.001 0.000 0.287 200 S C 0.312 175.000 174.600 0.146 0.000 1.168 200 S CA -0.892 57.332 58.200 0.039 0.000 0.832 200 S CB 0.354 63.587 63.200 0.056 0.000 1.166 200 S HN 0.158 nan 8.310 nan 0.000 0.493 201 L N 0.371 121.677 121.223 0.139 0.000 2.456 201 L HA 0.117 4.457 4.340 -0.001 0.000 0.224 201 L C 2.167 179.176 176.870 0.230 0.000 1.148 201 L CA 0.608 55.573 54.840 0.209 0.000 0.825 201 L CB -0.432 41.677 42.059 0.084 0.000 0.937 201 L HN 0.579 nan 8.230 nan 0.000 0.450 202 R N -1.086 119.520 120.500 0.177 0.000 2.369 202 R HA 0.275 4.615 4.340 -0.001 0.000 0.210 202 R C 0.171 176.574 176.300 0.171 0.000 0.881 202 R CA 0.228 56.316 56.100 -0.021 0.000 1.031 202 R CB 0.725 31.008 30.300 -0.027 0.000 1.184 202 R HN 0.360 nan 8.270 nan 0.000 0.581 203 Q N -0.443 119.605 119.800 0.413 0.000 2.394 203 Q HA 0.445 4.785 4.340 -0.001 0.000 0.273 203 Q C -1.422 174.868 176.000 0.482 0.000 1.089 203 Q CA -0.552 55.521 55.803 0.450 0.000 0.812 203 Q CB 2.747 31.614 28.738 0.216 0.000 1.353 203 Q HN -0.088 nan 8.270 nan 0.000 0.438 204 F N 1.145 121.265 119.950 0.283 0.000 2.469 204 F HA 0.530 5.056 4.527 -0.001 0.000 0.332 204 F C 0.271 176.176 175.800 0.175 0.000 1.103 204 F CA -0.156 57.922 58.000 0.130 0.000 0.979 204 F CB 1.858 40.896 39.000 0.063 0.000 1.137 204 F HN 0.594 nan 8.300 nan 0.000 0.463 205 S N 1.209 117.008 115.700 0.165 0.000 2.671 205 S HA 0.589 5.058 4.470 -0.001 0.000 0.277 205 S C -0.126 174.492 174.600 0.029 0.000 1.165 205 S CA -0.568 57.711 58.200 0.132 0.000 0.822 205 S CB 1.359 64.579 63.200 0.033 0.000 1.150 205 S HN 0.797 nan 8.310 nan 0.000 0.479 206 G N 1.159 109.951 108.800 -0.013 0.000 3.530 206 G HA2 0.400 4.360 3.960 -0.001 0.000 0.269 206 G HA3 0.400 4.360 3.960 -0.001 0.000 0.269 206 G C -0.071 174.700 174.900 -0.216 0.000 1.314 206 G CA -0.374 44.665 45.100 -0.101 0.000 1.441 206 G HN 0.712 nan 8.290 nan 0.000 0.595 207 T N 0.914 115.364 114.554 -0.175 0.000 2.814 207 T HA 0.356 4.706 4.350 -0.001 0.000 0.297 207 T C 0.125 174.733 174.700 -0.153 0.000 0.956 207 T CA 0.301 62.283 62.100 -0.197 0.000 1.123 207 T CB 1.440 70.234 68.868 -0.124 0.000 0.902 207 T HN 0.394 nan 8.240 nan 0.000 0.528 208 Q N 2.385 122.097 119.800 -0.145 0.000 2.451 208 Q HA 0.387 4.726 4.340 -0.001 0.000 0.281 208 Q C -2.695 173.410 176.000 0.176 0.000 1.099 208 Q CA -2.580 53.231 55.803 0.014 0.000 0.806 208 Q CB 1.982 30.737 28.738 0.028 0.000 1.419 208 Q HN 0.317 nan 8.270 nan 0.000 0.427 209 P HA -0.048 nan 4.420 nan 0.000 0.264 209 P C -0.120 177.273 177.300 0.155 0.000 1.193 209 P CA 0.412 63.594 63.100 0.137 0.000 0.763 209 P CB 0.537 32.293 31.700 0.093 0.000 0.810 210 L N 2.909 124.153 121.223 0.034 0.000 2.240 210 L HA 0.021 4.361 4.340 -0.001 0.000 0.211 210 L C 0.067 176.580 176.870 -0.596 0.000 1.106 210 L CA 1.316 55.968 54.840 -0.313 0.000 0.793 210 L CB 0.021 41.829 42.059 -0.419 0.000 0.927 210 L HN 0.357 nan 8.230 nan 0.000 0.446 211 Y N -1.575 118.704 120.300 -0.035 0.000 2.545 211 Y HA 0.456 5.006 4.550 -0.001 0.000 0.348 211 Y C -0.123 175.763 175.900 -0.023 0.000 1.002 211 Y CA -1.147 56.925 58.100 -0.048 0.000 1.039 211 Y CB 1.894 40.293 38.460 -0.102 0.000 1.271 211 Y HN -0.225 nan 8.280 nan 0.000 0.467 212 T N 0.280 114.928 114.554 0.157 0.000 2.928 212 T HA 0.534 4.883 4.350 -0.001 0.000 0.296 212 T C -1.370 173.381 174.700 0.084 0.000 1.000 212 T CA -0.683 61.473 62.100 0.093 0.000 0.989 212 T CB 1.211 70.121 68.868 0.069 0.000 1.005 212 T HN 0.609 nan 8.240 nan 0.000 0.442 213 L N 3.263 124.520 121.223 0.055 0.000 2.265 213 L HA 0.431 4.770 4.340 -0.001 0.000 0.288 213 L C 0.294 177.203 176.870 0.065 0.000 1.058 213 L CA -0.381 54.493 54.840 0.057 0.000 0.809 213 L CB 0.609 42.687 42.059 0.032 0.000 1.179 213 L HN 0.764 nan 8.230 nan 0.000 0.429 214 D N 3.090 123.539 120.400 0.081 0.000 2.362 214 D HA 0.025 4.665 4.640 -0.001 0.000 0.242 214 D C 1.004 177.345 176.300 0.069 0.000 1.132 214 D CA 0.600 54.642 54.000 0.070 0.000 0.907 214 D CB 1.963 42.807 40.800 0.074 0.000 1.195 214 D HN 0.773 nan 8.370 nan 0.000 0.429 215 G N 2.032 110.865 108.800 0.054 0.000 2.462 215 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.220 215 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.220 215 G C 1.215 176.148 174.900 0.055 0.000 1.121 215 G CA 0.400 45.530 45.100 0.049 0.000 0.758 215 G HN 0.638 nan 8.290 nan 0.000 0.559 216 D N 0.480 120.915 120.400 0.058 0.000 2.144 216 D HA -0.004 4.635 4.640 -0.001 0.000 0.199 216 D C 2.071 178.421 176.300 0.083 0.000 0.984 216 D CA 1.694 55.730 54.000 0.060 0.000 0.834 216 D CB -0.099 40.735 40.800 0.056 0.000 0.955 216 D HN 0.395 nan 8.370 nan 0.000 0.465 217 G N -0.245 108.623 108.800 0.113 0.000 2.260 217 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.179 217 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.179 217 G C 0.500 175.541 174.900 0.235 0.000 1.002 217 G CA 0.438 45.640 45.100 0.170 0.000 0.677 217 G HN 0.487 nan 8.290 nan 0.000 0.486 218 T N 1.927 116.596 114.554 0.191 0.000 2.737 218 T HA 0.590 4.940 4.350 -0.001 0.000 0.296 218 T C 0.781 175.606 174.700 0.208 0.000 0.922 218 T CA -0.425 61.811 62.100 0.227 0.000 1.079 218 T CB 0.149 69.114 68.868 0.162 0.000 0.892 218 T HN 0.355 nan 8.240 nan 0.000 0.514 219 L N 4.512 125.885 121.223 0.250 0.000 2.439 219 L HA 0.427 4.766 4.340 -0.001 0.000 0.269 219 L C 0.868 177.893 176.870 0.257 0.000 1.179 219 L CA -0.223 54.705 54.840 0.146 0.000 0.828 219 L CB 1.239 43.212 42.059 -0.144 0.000 1.106 219 L HN 0.665 nan 8.230 nan 0.000 0.467 220 T N 2.236 116.945 114.554 0.259 0.000 2.971 220 T HA 0.215 4.564 4.350 -0.001 0.000 0.304 220 T C -0.531 174.323 174.700 0.258 0.000 1.038 220 T CA -0.791 61.456 62.100 0.246 0.000 1.007 220 T CB 1.079 70.016 68.868 0.114 0.000 1.055 220 T HN 0.519 nan 8.240 nan 0.000 0.451 221 N N 3.605 122.445 118.700 0.234 0.000 2.497 221 N HA 0.163 4.903 4.740 -0.001 0.000 0.268 221 N C 0.754 176.152 175.510 -0.186 0.000 1.171 221 N CA 0.007 53.032 53.050 -0.042 0.000 0.948 221 N CB 0.757 39.251 38.487 0.012 0.000 1.069 221 N HN 0.569 nan 8.380 nan 0.000 0.460 222 N N 2.065 120.554 118.700 -0.352 0.000 2.398 222 N HA -0.062 4.677 4.740 -0.001 0.000 0.188 222 N C 0.841 175.984 175.510 -0.612 0.000 1.122 222 N CA 0.326 53.171 53.050 -0.342 0.000 0.866 222 N CB 0.459 38.823 38.487 -0.206 0.000 0.970 222 N HN 0.703 nan 8.380 nan 0.000 0.462 223 Q N -0.044 119.279 119.800 -0.795 0.000 2.481 223 Q HA 0.058 4.398 4.340 -0.001 0.000 0.219 223 Q C 1.451 177.245 176.000 -0.343 0.000 0.920 223 Q CA 0.601 55.922 55.803 -0.804 0.000 0.915 223 Q CB 0.328 28.355 28.738 -1.186 0.000 1.057 223 Q HN 0.296 nan 8.270 nan 0.000 0.581 224 S N -1.835 113.703 115.700 -0.270 0.000 2.492 224 S HA 0.259 4.729 4.470 -0.001 0.000 0.218 224 S C 1.358 175.902 174.600 -0.094 0.000 1.016 224 S CA 0.610 58.729 58.200 -0.135 0.000 0.916 224 S CB 0.897 64.043 63.200 -0.090 0.000 0.791 224 S HN 0.593 nan 8.310 nan 0.000 0.513 225 G N 0.925 109.664 108.800 -0.102 0.000 2.159 225 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.256 225 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.256 225 G C 0.054 174.915 174.900 -0.064 0.000 0.977 225 G CA 0.066 45.126 45.100 -0.066 0.000 0.652 225 G HN 0.701 nan 8.290 nan 0.000 0.531 226 V N 1.297 121.164 119.914 -0.078 0.000 2.508 226 V HA 0.333 4.453 4.120 -0.001 0.000 0.281 226 V C 0.876 176.803 176.094 -0.279 0.000 1.041 226 V CA 0.186 62.376 62.300 -0.182 0.000 1.016 226 V CB 1.237 32.940 31.823 -0.201 0.000 0.984 226 V HN 0.343 nan 8.190 nan 0.000 0.478 227 K N 4.187 124.404 120.400 -0.305 0.000 2.110 227 K HA 0.613 4.933 4.320 -0.001 0.000 0.263 227 K C -1.436 174.942 176.600 -0.370 0.000 0.975 227 K CA -0.435 55.737 56.287 -0.191 0.000 0.895 227 K CB 1.346 33.817 32.500 -0.048 0.000 1.060 227 K HN 0.571 nan 8.250 nan 0.000 0.448 228 Y N 0.422 120.830 120.300 0.181 0.000 2.477 228 Y HA 0.435 4.985 4.550 -0.001 0.000 0.347 228 Y C -0.021 176.097 175.900 0.362 0.000 0.981 228 Y CA -1.029 57.229 58.100 0.264 0.000 1.033 228 Y CB 2.071 40.662 38.460 0.219 0.000 1.245 228 Y HN 0.284 nan 8.280 nan 0.000 0.455 229 R N 2.155 122.999 120.500 0.573 0.000 2.807 229 R HA 0.498 4.838 4.340 -0.001 0.000 0.276 229 R C -3.047 173.426 176.300 0.288 0.000 0.979 229 R CA -2.304 54.068 56.100 0.453 0.000 0.928 229 R CB 2.146 32.659 30.300 0.354 0.000 1.191 229 R HN 0.303 nan 8.270 nan 0.000 0.471 230 P HA 0.039 nan 4.420 nan 0.000 0.271 230 P C -0.870 176.452 177.300 0.035 0.000 1.216 230 P CA -0.133 62.810 63.100 -0.261 0.000 0.771 230 P CB 0.475 31.913 31.700 -0.437 0.000 0.864 231 N N 2.876 121.596 118.700 0.033 0.000 2.706 231 N HA 0.117 4.857 4.740 -0.001 0.000 0.240 231 N C 0.226 175.732 175.510 -0.006 0.000 1.039 231 N CA -0.235 52.803 53.050 -0.020 0.000 0.888 231 N CB -0.422 37.882 38.487 -0.305 0.000 1.128 231 N HN 0.118 nan 8.380 nan 0.000 0.512 232 N N 1.558 120.283 118.700 0.042 0.000 2.571 232 N HA -0.065 4.674 4.740 -0.001 0.000 0.189 232 N C 0.529 176.037 175.510 -0.003 0.000 1.154 232 N CA 0.479 53.552 53.050 0.039 0.000 0.907 232 N CB 0.446 38.944 38.487 0.019 0.000 0.977 232 N HN 0.579 nan 8.380 nan 0.000 0.449 233 Q N 0.114 119.910 119.800 -0.007 0.000 2.331 233 Q HA 0.236 4.576 4.340 -0.001 0.000 0.203 233 Q C 1.687 177.669 176.000 -0.029 0.000 0.944 233 Q CA 0.461 56.261 55.803 -0.005 0.000 0.892 233 Q CB 0.561 29.309 28.738 0.017 0.000 0.983 233 Q HN 0.367 nan 8.270 nan 0.000 0.482 234 I N -2.641 117.896 120.570 -0.056 0.000 4.433 234 I HA 0.236 4.406 4.170 -0.001 0.000 0.322 234 I C 0.278 176.342 176.117 -0.088 0.000 1.284 234 I CA 0.560 61.859 61.300 -0.001 0.000 1.269 234 I CB 1.045 39.069 38.000 0.039 0.000 1.219 234 I HN 0.237 nan 8.210 nan 0.000 0.436 235 G N 1.373 109.951 108.800 -0.370 0.000 2.164 235 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.212 235 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.212 235 G C -0.324 173.613 174.900 -1.606 0.000 1.031 235 G CA -0.110 44.303 45.100 -1.144 0.000 0.730 235 G HN 0.253 nan 8.290 nan 0.000 0.501 236 F N -1.642 117.921 119.950 -0.646 0.000 2.613 236 F HA 0.614 5.140 4.527 -0.001 0.000 0.314 236 F C 0.056 175.869 175.800 0.022 0.000 1.075 236 F CA -1.536 56.321 58.000 -0.238 0.000 0.945 236 F CB 1.230 40.128 39.000 -0.170 0.000 1.310 236 F HN -0.006 nan 8.300 nan 0.000 0.467 237 Y N 2.124 122.621 120.300 0.329 0.000 2.613 237 Y HA 0.219 4.768 4.550 -0.001 0.000 0.354 237 Y C 0.323 176.356 175.900 0.222 0.000 1.063 237 Y CA -0.011 58.242 58.100 0.255 0.000 1.384 237 Y CB 0.129 38.647 38.460 0.096 0.000 1.199 237 Y HN 0.450 nan 8.280 nan 0.000 0.517 238 Q N 2.027 122.003 119.800 0.293 0.000 2.299 238 Q HA 0.254 4.594 4.340 -0.001 0.000 0.246 238 Q C 0.157 176.433 176.000 0.459 0.000 0.935 238 Q CA -0.220 55.699 55.803 0.192 0.000 0.887 238 Q CB 1.031 29.591 28.738 -0.296 0.000 1.223 238 Q HN 0.607 nan 8.270 nan 0.000 0.439 239 S N 2.193 118.128 115.700 0.392 0.000 2.579 239 S HA 0.443 4.912 4.470 -0.001 0.000 0.275 239 S C -0.435 174.328 174.600 0.272 0.000 1.345 239 S CA -0.525 57.789 58.200 0.190 0.000 1.031 239 S CB 0.013 63.255 63.200 0.070 0.000 0.892 239 S HN 0.476 nan 8.310 nan 0.000 0.529 240 I N 1.080 121.714 120.570 0.106 0.000 2.608 240 I HA 0.765 4.934 4.170 -0.001 0.000 0.295 240 I C -0.401 175.721 176.117 0.008 0.000 1.049 240 I CA -0.416 60.953 61.300 0.115 0.000 1.063 240 I CB 2.220 40.271 38.000 0.086 0.000 1.248 240 I HN 0.469 nan 8.210 nan 0.000 0.424 241 T N 3.583 118.139 114.554 0.003 0.000 2.971 241 T HA 0.820 5.169 4.350 -0.001 0.000 0.304 241 T C -0.184 174.493 174.700 -0.039 0.000 1.038 241 T CA -0.104 61.984 62.100 -0.020 0.000 1.007 241 T CB 1.122 69.986 68.868 -0.006 0.000 1.055 241 T HN 1.119 nan 8.240 nan 0.000 0.451 246 W N 1.390 122.695 121.300 0.007 0.000 2.375 246 W HA 0.600 5.260 4.660 -0.001 0.000 0.336 246 W C 0.741 177.260 176.519 -0.001 0.000 1.160 246 W CA 0.349 57.700 57.345 0.009 0.000 1.266 246 W CB 1.188 30.657 29.460 0.015 0.000 1.195 246 W HN 0.450 nan 8.180 nan 0.000 0.599 247 G N 0.344 109.289 108.800 0.241 0.000 2.943 247 G HA2 0.113 4.073 3.960 -0.001 0.000 0.250 247 G HA3 0.113 4.073 3.960 -0.001 0.000 0.250 247 G C -0.813 174.199 174.900 0.188 0.000 0.996 247 G CA -0.392 44.873 45.100 0.274 0.000 1.248 247 G HN 0.927 nan 8.290 nan 0.000 0.589 248 D N -0.584 119.878 120.400 0.103 0.000 2.894 248 D HA 0.752 5.392 4.640 -0.001 0.000 0.248 248 D C 0.446 176.765 176.300 0.031 0.000 1.291 248 D CA 1.425 55.453 54.000 0.046 0.000 0.840 248 D CB 0.149 40.971 40.800 0.036 0.000 1.044 248 D HN 1.729 nan 8.370 nan 0.000 0.484 249 E N -0.608 119.629 120.200 0.062 0.000 2.287 249 E HA 0.654 5.003 4.350 -0.001 0.000 0.274 249 E C -0.400 176.275 176.600 0.124 0.000 0.896 249 E CA -0.341 56.114 56.400 0.092 0.000 0.788 249 E CB 0.700 30.498 29.700 0.163 0.000 1.244 249 E HN 0.876 nan 8.360 nan 0.000 0.408 250 K N 1.481 121.888 120.400 0.011 0.000 2.156 250 K HA 0.925 5.244 4.320 -0.001 0.000 0.250 250 K C -0.326 176.286 176.600 0.020 0.000 0.955 250 K CA -0.582 55.695 56.287 -0.017 0.000 0.855 250 K CB 1.020 33.346 32.500 -0.290 0.000 1.101 250 K HN 0.652 nan 8.250 nan 0.000 0.434 251 L N 1.805 123.079 121.223 0.086 0.000 2.346 251 L HA 0.501 4.840 4.340 -0.001 0.000 0.276 251 L C 0.721 177.689 176.870 0.164 0.000 1.006 251 L CA -1.190 53.673 54.840 0.039 0.000 0.817 251 L CB 2.213 44.175 42.059 -0.163 0.000 1.272 251 L HN 0.907 nan 8.230 nan 0.000 0.421 252 S N 1.124 116.890 115.700 0.110 0.000 2.601 252 S HA 0.390 4.860 4.470 -0.001 0.000 0.271 252 S C -1.874 172.761 174.600 0.058 0.000 1.305 252 S CA -0.965 57.310 58.200 0.126 0.000 1.022 252 S CB 1.188 64.441 63.200 0.088 0.000 0.940 252 S HN 0.460 nan 8.310 nan 0.000 0.525 253 P HA 0.243 nan 4.420 nan 0.000 0.213 253 P C 0.731 178.047 177.300 0.027 0.000 1.170 253 P CA 1.343 64.472 63.100 0.047 0.000 0.889 253 P CB -0.660 31.055 31.700 0.025 0.000 0.782 254 G N -0.829 107.955 108.800 -0.027 0.000 2.697 254 G HA2 0.120 4.079 3.960 -0.001 0.000 0.686 254 G HA3 0.120 4.079 3.960 -0.001 0.000 0.686 254 G C -1.242 173.509 174.900 -0.249 0.000 1.179 254 G CA -0.620 44.221 45.100 -0.432 0.000 0.765 254 G HN 0.369 nan 8.290 nan 0.000 0.649 255 Y N -1.460 118.638 120.300 -0.336 0.000 2.570 255 Y HA 0.848 5.398 4.550 -0.001 0.000 0.345 255 Y C 0.499 176.327 175.900 -0.120 0.000 1.014 255 Y CA -0.981 57.044 58.100 -0.126 0.000 1.063 255 Y CB 1.083 39.560 38.460 0.029 0.000 1.272 255 Y HN 0.596 nan 8.280 nan 0.000 0.477 256 T N 2.773 117.427 114.554 0.166 0.000 2.851 256 T HA 0.446 4.796 4.350 -0.001 0.000 0.298 256 T C -0.871 173.929 174.700 0.168 0.000 0.977 256 T CA -0.264 61.918 62.100 0.135 0.000 1.126 256 T CB 0.720 69.727 68.868 0.231 0.000 0.916 256 T HN 0.694 nan 8.240 nan 0.000 0.529 257 V N 3.219 123.174 119.914 0.069 0.000 3.012 257 V HA 0.527 4.646 4.120 -0.001 0.000 0.307 257 V C 0.166 176.281 176.094 0.036 0.000 1.166 257 V CA -0.871 61.474 62.300 0.074 0.000 0.974 257 V CB 2.449 34.318 31.823 0.077 0.000 1.040 257 V HN 0.982 nan 8.190 nan 0.000 0.428 258 T N 3.124 117.699 114.554 0.034 0.000 2.849 258 T HA 0.083 4.433 4.350 -0.001 0.000 0.289 258 T C 0.877 175.597 174.700 0.034 0.000 1.010 258 T CA 1.226 63.344 62.100 0.031 0.000 1.161 258 T CB 0.282 69.154 68.868 0.006 0.000 0.989 258 T HN 0.998 nan 8.240 nan 0.000 0.523 259 T N 3.440 118.028 114.554 0.056 0.000 2.955 259 T HA 0.498 4.848 4.350 -0.001 0.000 0.251 259 T C 1.284 176.042 174.700 0.096 0.000 1.002 259 T CA 0.200 62.335 62.100 0.059 0.000 0.970 259 T CB -0.146 68.747 68.868 0.041 0.000 1.091 259 T HN 1.246 nan 8.240 nan 0.000 0.495 260 G N 1.230 110.106 108.800 0.126 0.000 2.498 260 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.251 260 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.251 260 G C 0.166 175.195 174.900 0.214 0.000 1.170 260 G CA -0.032 45.142 45.100 0.123 0.000 0.944 260 G HN 0.430 nan 8.290 nan 0.000 0.567 261 W N 2.206 123.700 121.300 0.324 0.000 3.077 261 W HA 0.349 5.009 4.660 -0.001 0.000 0.245 261 W C 1.595 178.251 176.519 0.229 0.000 1.316 261 W CA 0.301 57.815 57.345 0.281 0.000 1.537 261 W CB 0.077 29.647 29.460 0.183 0.000 1.131 261 W HN 0.285 nan 8.180 nan 0.000 0.695 262 K N 1.365 121.958 120.400 0.322 0.000 2.276 262 K HA -0.041 4.279 4.320 -0.001 0.000 0.259 262 K C 1.125 177.791 176.600 0.110 0.000 1.001 262 K CA 0.636 57.037 56.287 0.190 0.000 0.927 262 K CB 0.216 32.783 32.500 0.112 0.000 0.969 262 K HN 0.129 nan 8.250 nan 0.000 0.490 263 N N -0.394 118.326 118.700 0.033 0.000 2.758 263 N HA -0.319 4.421 4.740 -0.001 0.000 0.245 263 N C 0.295 175.719 175.510 -0.142 0.000 1.059 263 N CA 1.987 54.986 53.050 -0.085 0.000 0.900 263 N CB -1.700 36.686 38.487 -0.168 0.000 1.145 263 N HN 0.544 nan 8.380 nan 0.000 0.590 264 F N -1.100 118.873 119.950 0.039 0.000 2.317 264 F HA 0.171 4.698 4.527 -0.001 0.000 0.290 264 F C 2.722 178.646 175.800 0.206 0.000 1.075 264 F CA 1.104 59.170 58.000 0.111 0.000 1.380 264 F CB -0.227 38.902 39.000 0.216 0.000 1.093 264 F HN 0.288 nan 8.300 nan 0.000 0.524 265 T N -0.196 114.598 114.554 0.400 0.000 2.942 265 T HA -0.076 4.273 4.350 -0.001 0.000 0.265 265 T C 2.033 176.856 174.700 0.205 0.000 1.062 265 T CA 1.055 63.346 62.100 0.318 0.000 1.139 265 T CB -0.101 68.898 68.868 0.220 0.000 0.883 265 T HN 0.118 nan 8.240 nan 0.000 0.468 266 R N 0.344 120.907 120.500 0.105 0.000 2.152 266 R HA -0.019 4.321 4.340 -0.001 0.000 0.232 266 R C 2.273 178.544 176.300 -0.048 0.000 1.117 266 R CA 1.154 57.264 56.100 0.018 0.000 0.981 266 R CB -0.347 29.938 30.300 -0.025 0.000 0.870 266 R HN 0.341 nan 8.270 nan 0.000 0.451 267 V N -0.221 119.625 119.914 -0.115 0.000 2.548 267 V HA -0.146 3.973 4.120 -0.001 0.000 0.249 267 V C 1.199 177.044 176.094 -0.414 0.000 1.055 267 V CA 1.395 63.502 62.300 -0.321 0.000 1.065 267 V CB -0.343 31.178 31.823 -0.502 0.000 0.681 267 V HN 0.179 nan 8.190 nan 0.000 0.462 268 F N 0.201 120.124 119.950 -0.044 0.000 2.713 268 F HA 0.212 4.738 4.527 -0.001 0.000 0.294 268 F C 1.515 177.291 175.800 -0.041 0.000 1.152 268 F CA 0.221 58.185 58.000 -0.060 0.000 1.385 268 F CB -0.042 38.928 39.000 -0.050 0.000 0.981 268 F HN 0.063 nan 8.300 nan 0.000 0.514 269 T N -3.337 111.261 114.554 0.073 0.000 3.250 269 T HA -0.027 4.322 4.350 -0.001 0.000 0.265 269 T C 0.370 175.083 174.700 0.021 0.000 0.973 269 T CA -0.220 61.912 62.100 0.053 0.000 1.040 269 T CB 0.124 69.020 68.868 0.048 0.000 1.167 269 T HN 0.024 nan 8.240 nan 0.000 0.471 270 D N 4.136 124.534 120.400 -0.002 0.000 2.346 270 D HA -0.015 4.625 4.640 -0.001 0.000 0.260 270 D C -0.003 176.304 176.300 0.012 0.000 1.252 270 D CA 0.021 54.020 54.000 -0.002 0.000 0.895 270 D CB 0.659 41.448 40.800 -0.018 0.000 1.097 270 D HN 0.381 nan 8.370 nan 0.000 0.489 271 E N 3.558 123.769 120.200 0.019 0.000 1.881 271 E HA 0.263 4.612 4.350 -0.001 0.000 0.264 271 E C 0.652 177.272 176.600 0.033 0.000 1.243 271 E CA -0.348 56.068 56.400 0.028 0.000 0.965 271 E CB 0.655 30.370 29.700 0.025 0.000 1.055 271 E HN 0.691 nan 8.360 nan 0.000 0.412 272 G N 3.562 112.392 108.800 0.050 0.000 3.876 272 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.203 272 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.203 272 G C 0.941 175.914 174.900 0.123 0.000 1.162 272 G CA 0.005 45.144 45.100 0.066 0.000 0.903 272 G HN 0.410 nan 8.290 nan 0.000 0.390 273 I N 1.147 121.780 120.570 0.105 0.000 2.353 273 I HA -0.002 4.168 4.170 -0.001 0.000 0.248 273 I C 2.567 178.817 176.117 0.223 0.000 1.119 273 I CA 1.686 63.083 61.300 0.161 0.000 1.417 273 I CB 0.065 38.073 38.000 0.013 0.000 1.078 273 I HN 0.309 nan 8.210 nan 0.000 0.421 274 Q N 0.587 120.451 119.800 0.106 0.000 2.398 274 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 274 Q C 1.952 178.033 176.000 0.134 0.000 0.932 274 Q CA 0.546 56.398 55.803 0.082 0.000 0.916 274 Q CB 0.325 29.068 28.738 0.007 0.000 1.024 274 Q HN 0.178 nan 8.270 nan 0.000 0.504 275 K N 1.034 121.498 120.400 0.107 0.000 1.987 275 K HA -0.131 4.189 4.320 -0.001 0.000 0.216 275 K C -1.101 175.528 176.600 0.048 0.000 1.051 275 K CA 1.679 58.008 56.287 0.070 0.000 0.942 275 K CB -0.487 32.041 32.500 0.046 0.000 0.722 275 K HN 0.232 nan 8.250 nan 0.000 0.444 276 P HA 0.068 nan 4.420 nan 0.000 0.258 276 P C 0.516 177.743 177.300 -0.121 0.000 1.416 276 P CA -0.043 62.977 63.100 -0.133 0.000 0.927 276 P CB -0.032 31.485 31.700 -0.305 0.000 1.444 277 F N 1.553 121.442 119.950 -0.102 0.000 2.075 277 F HA -0.182 4.345 4.527 -0.001 0.000 0.297 277 F C 1.732 177.572 175.800 0.066 0.000 1.113 277 F CA 1.414 59.405 58.000 -0.014 0.000 1.218 277 F CB -0.475 38.554 39.000 0.048 0.000 0.984 277 F HN -0.276 nan 8.300 nan 0.000 0.472 278 L N 0.485 121.766 121.223 0.096 0.000 2.131 278 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 278 L C 2.712 179.616 176.870 0.056 0.000 1.092 278 L CA 1.733 56.614 54.840 0.069 0.000 0.759 278 L CB -2.532 39.636 42.059 0.180 0.000 0.903 278 L HN 0.369 nan 8.230 nan 0.000 0.435 279 A N 0.732 123.558 122.820 0.011 0.000 1.898 279 A HA -0.113 4.207 4.320 -0.001 0.000 0.214 279 A C 2.185 179.771 177.584 0.003 0.000 1.183 279 A CA 1.237 53.280 52.037 0.009 0.000 0.622 279 A CB -0.467 18.517 19.000 -0.027 0.000 0.824 279 A HN 0.478 nan 8.150 nan 0.000 0.444 280 I N -3.944 116.587 120.570 -0.065 0.000 2.493 280 I HA -0.076 4.093 4.170 -0.001 0.000 0.254 280 I C 2.262 178.359 176.117 -0.032 0.000 1.160 280 I CA 1.492 62.776 61.300 -0.027 0.000 1.445 280 I CB -0.420 37.514 38.000 -0.111 0.000 1.086 280 I HN 0.186 nan 8.210 nan 0.000 0.433 281 F N 2.421 122.207 119.950 -0.274 0.000 2.134 281 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 281 F C 2.184 177.939 175.800 -0.076 0.000 1.097 281 F CA 1.797 59.639 58.000 -0.265 0.000 1.264 281 F CB -0.583 38.166 39.000 -0.419 0.000 1.001 281 F HN -0.112 nan 8.300 nan 0.000 0.479 282 V N 0.689 120.508 119.914 -0.159 0.000 2.332 282 V HA -0.348 3.771 4.120 -0.001 0.000 0.248 282 V C 2.303 178.364 176.094 -0.055 0.000 1.055 282 V CA 2.130 64.340 62.300 -0.149 0.000 1.038 282 V CB -1.234 30.605 31.823 0.027 0.000 0.651 282 V HN 0.748 nan 8.190 nan 0.000 0.450 283 W N 1.466 122.669 121.300 -0.161 0.000 2.358 283 W HA -0.253 4.406 4.660 -0.001 0.000 0.303 283 W C 2.532 178.972 176.519 -0.133 0.000 1.208 283 W CA 2.104 59.379 57.345 -0.117 0.000 1.274 283 W CB -0.290 29.103 29.460 -0.111 0.000 1.138 283 W HN 0.514 nan 8.180 nan 0.000 0.515 284 T N -0.593 113.636 114.554 -0.542 0.000 2.746 284 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 284 T C 1.825 176.190 174.700 -0.558 0.000 1.039 284 T CA 1.842 63.465 62.100 -0.796 0.000 1.142 284 T CB -1.069 67.153 68.868 -1.077 0.000 0.866 284 T HN 0.033 nan 8.240 nan 0.000 0.444 285 V N 1.464 121.171 119.914 -0.345 0.000 2.261 285 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 285 V C 2.978 179.105 176.094 0.056 0.000 1.047 285 V CA 1.650 63.966 62.300 0.027 0.000 1.015 285 V CB -0.887 30.883 31.823 -0.090 0.000 0.642 285 V HN 0.395 nan 8.190 nan 0.000 0.446 286 V N -0.329 119.554 119.914 -0.051 0.000 2.287 286 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 286 V C 2.208 178.253 176.094 -0.082 0.000 1.053 286 V CA 2.612 64.913 62.300 0.002 0.000 1.027 286 V CB -0.817 31.070 31.823 0.108 0.000 0.646 286 V HN 0.579 nan 8.190 nan 0.000 0.447 287 F N 2.244 121.862 119.950 -0.552 0.000 2.065 287 F HA -0.274 4.252 4.527 -0.000 0.000 0.298 287 F C 2.665 178.265 175.800 -0.334 0.000 1.112 287 F CA 2.187 59.747 58.000 -0.733 0.000 1.212 287 F CB -0.584 37.501 39.000 -1.527 0.000 0.975 287 F HN 0.263 nan 8.300 nan 0.000 0.476 288 S N 0.537 115.985 115.700 -0.420 0.000 2.387 288 S HA -0.124 4.346 4.470 -0.001 0.000 0.226 288 S C 2.155 176.757 174.600 0.003 0.000 1.026 288 S CA 1.158 59.153 58.200 -0.343 0.000 0.972 288 S CB -1.058 61.899 63.200 -0.405 0.000 0.814 288 S HN 0.492 nan 8.310 nan 0.000 0.477 289 L N 1.661 122.992 121.223 0.180 0.000 1.970 289 L HA -0.043 4.297 4.340 -0.001 0.000 0.212 289 L C 2.653 179.591 176.870 0.115 0.000 1.071 289 L CA 1.961 56.931 54.840 0.216 0.000 0.751 289 L CB -0.627 41.525 42.059 0.154 0.000 0.889 289 L HN 0.451 nan 8.230 nan 0.000 0.432 290 I N -4.098 116.497 120.570 0.043 0.000 3.291 290 I HA -0.095 4.074 4.170 -0.001 0.000 0.279 290 I C 1.947 178.094 176.117 0.049 0.000 1.294 290 I CA 0.757 62.107 61.300 0.083 0.000 1.428 290 I CB -0.299 37.742 38.000 0.068 0.000 1.070 290 I HN 0.096 nan 8.210 nan 0.000 0.478 291 T N 0.917 115.410 114.554 -0.102 0.000 2.770 291 T HA -0.010 4.340 4.350 -0.001 0.000 0.258 291 T C 2.043 176.739 174.700 -0.006 0.000 1.039 291 T CA 1.431 63.441 62.100 -0.150 0.000 1.143 291 T CB -0.187 68.425 68.868 -0.427 0.000 0.866 291 T HN 0.206 nan 8.240 nan 0.000 0.428 292 V N 1.503 121.446 119.914 0.048 0.000 2.282 292 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 292 V C 2.018 178.196 176.094 0.140 0.000 1.057 292 V CA 1.867 64.237 62.300 0.116 0.000 1.032 292 V CB -0.693 31.240 31.823 0.182 0.000 0.645 292 V HN 0.424 nan 8.190 nan 0.000 0.447 293 F N 0.200 120.172 119.950 0.035 0.000 2.026 293 F HA -0.205 4.322 4.527 -0.001 0.000 0.296 293 F C 2.126 177.953 175.800 0.045 0.000 1.133 293 F CA 1.930 59.956 58.000 0.043 0.000 1.188 293 F CB -0.448 38.576 39.000 0.040 0.000 0.968 293 F HN 0.005 nan 8.300 nan 0.000 0.476 294 L N -0.456 120.805 121.223 0.064 0.000 2.042 294 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 294 L C 2.372 179.206 176.870 -0.060 0.000 1.076 294 L CA 1.915 56.732 54.840 -0.038 0.000 0.749 294 L CB -1.116 40.994 42.059 0.085 0.000 0.893 294 L HN 0.217 nan 8.230 nan 0.000 0.432 295 T N -0.791 113.763 114.554 -0.001 0.000 2.684 295 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 295 T C 1.952 176.654 174.700 0.004 0.000 1.036 295 T CA 1.450 63.569 62.100 0.032 0.000 1.148 295 T CB -0.193 68.701 68.868 0.043 0.000 0.863 295 T HN 0.060 nan 8.240 nan 0.000 0.436 296 V N 1.430 121.322 119.914 -0.036 0.000 2.307 296 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 296 V C 2.845 178.874 176.094 -0.108 0.000 1.045 296 V CA 1.592 63.858 62.300 -0.056 0.000 1.024 296 V CB -1.186 30.612 31.823 -0.041 0.000 0.651 296 V HN 0.519 nan 8.190 nan 0.000 0.449 297 A N -0.025 122.650 122.820 -0.241 0.000 1.851 297 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 297 A C 2.384 179.881 177.584 -0.145 0.000 1.195 297 A CA 2.410 54.288 52.037 -0.265 0.000 0.622 297 A CB -0.887 17.794 19.000 -0.531 0.000 0.831 297 A HN 0.322 nan 8.150 nan 0.000 0.444 298 V N -0.027 119.808 119.914 -0.133 0.000 2.343 298 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 298 V C 2.811 178.860 176.094 -0.074 0.000 1.051 298 V CA 1.957 64.182 62.300 -0.126 0.000 1.036 298 V CB -1.556 30.174 31.823 -0.155 0.000 0.654 298 V HN 0.649 nan 8.190 nan 0.000 0.451 299 G N -0.978 107.820 108.800 -0.004 0.000 2.459 299 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.217 299 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.217 299 G C 1.659 176.561 174.900 0.004 0.000 1.183 299 G CA 1.276 46.399 45.100 0.038 0.000 0.776 299 G HN 0.413 nan 8.290 nan 0.000 0.552 300 M N 0.022 119.621 119.600 -0.002 0.000 2.077 300 M HA -0.059 4.420 4.480 -0.001 0.000 0.261 300 M C 2.677 179.012 176.300 0.057 0.000 1.070 300 M CA 1.252 56.576 55.300 0.040 0.000 1.125 300 M CB -0.167 32.480 32.600 0.078 0.000 1.339 300 M HN 0.112 nan 8.290 nan 0.000 0.409 301 V N 1.149 121.056 119.914 -0.013 0.000 2.282 301 V HA -0.336 3.783 4.120 -0.001 0.000 0.249 301 V C 2.341 178.348 176.094 -0.145 0.000 1.057 301 V CA 2.003 64.201 62.300 -0.170 0.000 1.032 301 V CB -0.784 30.877 31.823 -0.271 0.000 0.645 301 V HN 0.530 nan 8.190 nan 0.000 0.447 302 L N -0.197 120.964 121.223 -0.104 0.000 2.083 302 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 302 L C 2.690 179.533 176.870 -0.044 0.000 1.083 302 L CA 1.536 56.326 54.840 -0.083 0.000 0.752 302 L CB -0.756 41.276 42.059 -0.045 0.000 0.899 302 L HN 0.379 nan 8.230 nan 0.000 0.433 303 A N -0.948 121.862 122.820 -0.015 0.000 1.933 303 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 303 A C 2.398 179.984 177.584 0.004 0.000 1.175 303 A CA 1.765 53.802 52.037 0.000 0.000 0.628 303 A CB -1.059 17.942 19.000 0.002 0.000 0.814 303 A HN 0.533 nan 8.150 nan 0.000 0.444 304 C N -0.737 118.564 119.300 0.003 0.000 2.453 304 C HA -0.032 4.428 4.460 -0.001 0.000 0.277 304 C C 2.605 177.584 174.990 -0.017 0.000 1.262 304 C CA 0.974 59.999 59.018 0.012 0.000 1.718 304 C CB -1.506 26.250 27.740 0.028 0.000 2.031 304 C HN 0.631 nan 8.230 nan 0.000 0.480 305 L N 0.339 121.493 121.223 -0.116 0.000 2.131 305 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 305 L C 2.510 179.349 176.870 -0.052 0.000 1.092 305 L CA 0.969 55.709 54.840 -0.167 0.000 0.759 305 L CB -0.700 41.204 42.059 -0.258 0.000 0.903 305 L HN 0.206 nan 8.230 nan 0.000 0.435 306 V N 0.389 120.288 119.914 -0.025 0.000 2.515 306 V HA -0.240 3.880 4.120 -0.001 0.000 0.250 306 V C 2.127 178.251 176.094 0.050 0.000 1.058 306 V CA 1.891 64.200 62.300 0.014 0.000 1.064 306 V CB -0.416 31.422 31.823 0.025 0.000 0.675 306 V HN 0.682 nan 8.190 nan 0.000 0.461 307 Q N -1.581 118.255 119.800 0.060 0.000 2.222 307 Q HA -0.069 4.270 4.340 -0.001 0.000 0.206 307 Q C 1.664 177.711 176.000 0.079 0.000 0.877 307 Q CA -0.135 55.698 55.803 0.051 0.000 0.958 307 Q CB -0.496 28.255 28.738 0.023 0.000 1.075 307 Q HN 0.781 nan 8.270 nan 0.000 0.483 308 W N 3.011 124.247 121.300 -0.107 0.000 2.721 308 W HA -0.186 4.474 4.660 -0.000 0.000 0.245 308 W C 0.260 176.721 176.519 -0.096 0.000 1.276 308 W CA 1.969 59.239 57.345 -0.124 0.000 1.342 308 W CB 0.308 29.683 29.460 -0.140 0.000 1.135 308 W HN 0.690 nan 8.180 nan 0.000 0.654 309 E N -1.770 118.384 120.200 -0.077 0.000 3.995 309 E HA -0.394 3.956 4.350 -0.001 0.000 0.268 309 E C 1.151 177.670 176.600 -0.135 0.000 0.683 309 E CA 2.008 58.332 56.400 -0.126 0.000 1.090 309 E CB -1.981 27.618 29.700 -0.169 0.000 1.600 309 E HN 0.247 nan 8.360 nan 0.000 0.413 310 A N 0.947 123.644 122.820 -0.206 0.000 2.030 310 A HA 0.244 4.563 4.320 -0.001 0.000 0.215 310 A C 1.302 178.939 177.584 0.087 0.000 1.164 310 A CA 0.432 52.419 52.037 -0.083 0.000 0.697 310 A CB 0.231 19.143 19.000 -0.146 0.000 0.827 310 A HN 0.275 nan 8.150 nan 0.000 0.457 311 L N 1.921 123.255 121.223 0.185 0.000 2.485 311 L HA 0.184 4.524 4.340 -0.001 0.000 0.279 311 L C 0.375 177.305 176.870 0.100 0.000 1.124 311 L CA 0.126 55.048 54.840 0.138 0.000 0.888 311 L CB -0.113 42.005 42.059 0.098 0.000 1.217 311 L HN 0.344 nan 8.230 nan 0.000 0.464 312 R N 3.735 124.299 120.500 0.106 0.000 2.543 312 R HA 0.396 4.736 4.340 -0.001 0.000 0.277 312 R C 0.973 177.399 176.300 0.209 0.000 1.074 312 R CA 0.841 57.012 56.100 0.119 0.000 1.076 312 R CB 0.478 30.832 30.300 0.090 0.000 0.993 312 R HN 0.820 nan 8.270 nan 0.000 0.459 313 G N 4.226 113.128 108.800 0.169 0.000 2.148 313 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.254 313 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.254 313 G C 0.864 175.942 174.900 0.296 0.000 0.981 313 G CA 0.683 45.886 45.100 0.170 0.000 0.670 313 G HN 0.752 nan 8.290 nan 0.000 0.528 314 K N 0.381 120.963 120.400 0.303 0.000 2.211 314 K HA 0.148 4.468 4.320 -0.001 0.000 0.204 314 K C 2.338 179.065 176.600 0.213 0.000 1.047 314 K CA 1.870 58.342 56.287 0.308 0.000 0.935 314 K CB -0.644 31.941 32.500 0.141 0.000 0.728 314 K HN 1.035 nan 8.250 nan 0.000 0.452 315 A N 1.549 124.445 122.820 0.126 0.000 1.933 315 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 315 A C 2.402 180.017 177.584 0.051 0.000 1.175 315 A CA 1.569 53.649 52.037 0.071 0.000 0.628 315 A CB -0.448 18.577 19.000 0.042 0.000 0.814 315 A HN 0.158 nan 8.150 nan 0.000 0.444 316 V N -1.760 118.166 119.914 0.019 0.000 2.407 316 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 316 V C 2.276 178.330 176.094 -0.066 0.000 1.041 316 V CA 1.549 63.809 62.300 -0.067 0.000 1.040 316 V CB -1.238 30.483 31.823 -0.170 0.000 0.671 316 V HN 0.636 nan 8.190 nan 0.000 0.455 317 Y N 0.623 120.935 120.300 0.020 0.000 2.165 317 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 317 Y C 2.800 178.715 175.900 0.026 0.000 1.155 317 Y CA 2.157 60.270 58.100 0.022 0.000 1.164 317 Y CB -0.398 38.072 38.460 0.017 0.000 0.978 317 Y HN 0.066 nan 8.280 nan 0.000 0.513 318 R N 0.403 121.014 120.500 0.185 0.000 2.094 318 R HA -0.207 4.133 4.340 -0.001 0.000 0.239 318 R C 2.209 178.555 176.300 0.076 0.000 1.137 318 R CA 2.477 58.643 56.100 0.110 0.000 0.943 318 R CB -0.597 29.752 30.300 0.082 0.000 0.850 318 R HN 0.378 nan 8.270 nan 0.000 0.433 319 V N -1.703 118.244 119.914 0.055 0.000 2.453 319 V HA -0.096 4.023 4.120 -0.001 0.000 0.247 319 V C 2.128 178.244 176.094 0.036 0.000 1.048 319 V CA 1.432 63.753 62.300 0.034 0.000 1.049 319 V CB -0.639 31.194 31.823 0.018 0.000 0.672 319 V HN 0.242 nan 8.190 nan 0.000 0.457 320 L N -0.428 120.822 121.223 0.044 0.000 2.156 320 L HA 0.011 4.350 4.340 -0.001 0.000 0.208 320 L C 2.510 179.429 176.870 0.081 0.000 1.095 320 L CA 1.294 56.164 54.840 0.050 0.000 0.770 320 L CB -0.400 41.679 42.059 0.034 0.000 0.914 320 L HN 0.293 nan 8.230 nan 0.000 0.439 321 L N -0.987 120.304 121.223 0.113 0.000 2.465 321 L HA -0.134 4.206 4.340 -0.001 0.000 0.224 321 L C 2.054 178.962 176.870 0.063 0.000 1.145 321 L CA 0.516 55.464 54.840 0.179 0.000 0.834 321 L CB -0.029 42.163 42.059 0.222 0.000 0.944 321 L HN 0.201 nan 8.230 nan 0.000 0.451 322 I N -0.963 119.608 120.570 0.003 0.000 3.228 322 I HA -0.095 4.075 4.170 -0.001 0.000 0.279 322 I C 2.009 178.086 176.117 -0.068 0.000 1.221 322 I CA 0.812 62.079 61.300 -0.054 0.000 1.458 322 I CB 0.066 38.068 38.000 0.004 0.000 1.105 322 I HN 0.081 nan 8.210 nan 0.000 0.445 323 L N 1.572 122.770 121.223 -0.042 0.000 2.127 323 L HA -0.129 4.210 4.340 -0.001 0.000 0.211 323 L C -0.389 176.440 176.870 -0.067 0.000 1.089 323 L CA 1.094 55.922 54.840 -0.021 0.000 0.757 323 L CB -2.069 40.007 42.059 0.027 0.000 0.899 323 L HN 0.221 nan 8.230 nan 0.000 0.434 324 P HA -0.233 nan 4.420 nan 0.000 0.224 324 P C 0.896 178.025 177.300 -0.286 0.000 1.142 324 P CA 1.592 64.312 63.100 -0.634 0.000 0.778 324 P CB -0.026 30.764 31.700 -1.517 0.000 0.764 325 Y N -0.200 119.917 120.300 -0.306 0.000 2.498 325 Y HA 0.450 5.000 4.550 -0.001 0.000 0.259 325 Y C 2.410 178.267 175.900 -0.072 0.000 1.086 325 Y CA -0.110 57.885 58.100 -0.175 0.000 1.287 325 Y CB -0.522 37.824 38.460 -0.191 0.000 1.146 325 Y HN -0.117 nan 8.280 nan 0.000 0.523 326 A N -0.465 122.351 122.820 -0.006 0.000 2.014 326 A HA 0.116 4.435 4.320 -0.001 0.000 0.218 326 A C 0.752 178.329 177.584 -0.012 0.000 1.163 326 A CA 0.722 52.735 52.037 -0.041 0.000 0.652 326 A CB -0.680 18.314 19.000 -0.010 0.000 0.808 326 A HN 0.002 nan 8.150 nan 0.000 0.449 327 V N 1.675 121.616 119.914 0.045 0.000 2.439 327 V HA 0.281 4.401 4.120 -0.001 0.000 0.282 327 V C -2.317 173.849 176.094 0.120 0.000 1.039 327 V CA -1.772 60.583 62.300 0.092 0.000 0.913 327 V CB 1.154 33.066 31.823 0.148 0.000 0.983 327 V HN 0.208 nan 8.190 nan 0.000 0.460 328 P HA 0.091 nan 4.420 nan 0.000 0.265 328 P C 0.841 178.272 177.300 0.219 0.000 1.187 328 P CA 0.314 63.496 63.100 0.138 0.000 0.766 328 P CB 0.575 32.354 31.700 0.133 0.000 0.820 329 S N 1.809 117.652 115.700 0.238 0.000 2.359 329 S HA -0.196 4.274 4.470 -0.001 0.000 0.224 329 S C 1.464 176.230 174.600 0.276 0.000 1.035 329 S CA 1.100 59.471 58.200 0.285 0.000 1.018 329 S CB -0.991 62.372 63.200 0.271 0.000 0.876 329 S HN 0.585 nan 8.310 nan 0.000 0.448 330 F N 2.049 122.076 119.950 0.128 0.000 2.032 330 F HA -0.248 4.279 4.527 -0.001 0.000 0.297 330 F C 2.132 177.993 175.800 0.102 0.000 1.125 330 F CA 1.791 59.851 58.000 0.099 0.000 1.202 330 F CB -0.335 38.709 39.000 0.072 0.000 0.958 330 F HN 0.158 nan 8.300 nan 0.000 0.491 331 I N -0.348 120.306 120.570 0.140 0.000 2.226 331 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 331 I C 2.351 178.464 176.117 -0.007 0.000 1.100 331 I CA 1.771 63.081 61.300 0.016 0.000 1.374 331 I CB -0.921 37.164 38.000 0.141 0.000 1.057 331 I HN 0.235 nan 8.210 nan 0.000 0.413 332 S N 1.171 116.937 115.700 0.110 0.000 2.348 332 S HA -0.149 4.321 4.470 -0.001 0.000 0.221 332 S C 1.962 176.664 174.600 0.170 0.000 1.033 332 S CA 1.571 59.860 58.200 0.148 0.000 1.010 332 S CB -0.268 63.171 63.200 0.400 0.000 0.891 332 S HN 0.433 nan 8.310 nan 0.000 0.442 333 I N 1.383 122.056 120.570 0.173 0.000 2.264 333 I HA -0.215 3.955 4.170 -0.001 0.000 0.248 333 I C 2.111 178.264 176.117 0.060 0.000 1.111 333 I CA 1.126 62.511 61.300 0.140 0.000 1.382 333 I CB -0.418 37.613 38.000 0.052 0.000 1.060 333 I HN 0.231 nan 8.210 nan 0.000 0.418 334 L N 0.399 121.562 121.223 -0.099 0.000 2.093 334 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 334 L C 2.571 179.402 176.870 -0.065 0.000 1.085 334 L CA 1.287 56.042 54.840 -0.141 0.000 0.755 334 L CB -0.395 41.475 42.059 -0.314 0.000 0.904 334 L HN 0.362 nan 8.230 nan 0.000 0.435 335 I N -4.279 116.239 120.570 -0.086 0.000 2.617 335 I HA -0.158 4.012 4.170 -0.001 0.000 0.256 335 I C 2.140 178.161 176.117 -0.160 0.000 1.167 335 I CA 1.289 62.507 61.300 -0.137 0.000 1.469 335 I CB -0.710 37.172 38.000 -0.196 0.000 1.098 335 I HN -0.061 nan 8.210 nan 0.000 0.436 336 F N 1.455 121.332 119.950 -0.122 0.000 2.216 336 F HA -0.107 4.420 4.527 -0.001 0.000 0.300 336 F C 2.574 178.434 175.800 0.099 0.000 1.085 336 F CA 1.657 59.615 58.000 -0.070 0.000 1.326 336 F CB -0.190 38.779 39.000 -0.050 0.000 1.027 336 F HN 0.035 nan 8.300 nan 0.000 0.497 337 K N 0.182 120.746 120.400 0.273 0.000 2.148 337 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 337 K C 2.285 179.025 176.600 0.234 0.000 1.050 337 K CA 1.226 57.704 56.287 0.317 0.000 0.942 337 K CB -0.480 32.135 32.500 0.191 0.000 0.724 337 K HN 0.324 nan 8.250 nan 0.000 0.446 338 G N 1.132 109.980 108.800 0.080 0.000 2.394 338 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 338 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 338 G C 1.469 176.373 174.900 0.006 0.000 1.176 338 G CA 0.440 45.548 45.100 0.014 0.000 0.786 338 G HN 0.165 nan 8.290 nan 0.000 0.533 339 L N -0.727 120.444 121.223 -0.087 0.000 2.017 339 L HA 0.035 4.374 4.340 -0.001 0.000 0.208 339 L C 2.441 179.186 176.870 -0.209 0.000 1.073 339 L CA 0.859 55.560 54.840 -0.232 0.000 0.745 339 L CB -0.503 41.263 42.059 -0.490 0.000 0.894 339 L HN 0.069 nan 8.230 nan 0.000 0.432 340 F N 0.190 120.112 119.950 -0.046 0.000 2.802 340 F HA 0.004 4.531 4.527 -0.001 0.000 0.300 340 F C 1.172 177.164 175.800 0.319 0.000 1.168 340 F CA -0.434 57.472 58.000 -0.156 0.000 1.433 340 F CB -1.149 37.624 39.000 -0.377 0.000 1.115 340 F HN 0.117 nan 8.300 nan 0.000 0.582 341 N N 1.323 120.300 118.700 0.462 0.000 2.294 341 N HA -0.128 4.612 4.740 -0.001 0.000 0.263 341 N C 1.401 177.179 175.510 0.447 0.000 1.281 341 N CA 0.107 53.392 53.050 0.391 0.000 0.846 341 N CB 0.533 39.155 38.487 0.225 0.000 1.061 341 N HN 0.365 nan 8.380 nan 0.000 0.478 342 Q N 1.500 121.574 119.800 0.458 0.000 2.119 342 Q HA -0.144 4.196 4.340 -0.001 0.000 0.201 342 Q C 1.393 177.516 176.000 0.205 0.000 0.972 342 Q CA 1.573 57.620 55.803 0.407 0.000 0.847 342 Q CB -0.070 28.878 28.738 0.351 0.000 0.903 342 Q HN 0.742 nan 8.270 nan 0.000 0.433 343 S N -0.716 115.048 115.700 0.107 0.000 2.566 343 S HA 0.146 4.616 4.470 -0.001 0.000 0.234 343 S C 0.709 175.182 174.600 -0.213 0.000 1.075 343 S CA -0.500 57.643 58.200 -0.096 0.000 0.926 343 S CB -0.230 62.831 63.200 -0.231 0.000 0.811 343 S HN 0.196 nan 8.310 nan 0.000 0.518 344 F N 2.254 122.237 119.950 0.054 0.000 2.190 344 F HA 0.622 5.148 4.527 -0.001 0.000 0.286 344 F C 1.520 177.349 175.800 0.049 0.000 1.025 344 F CA 0.317 58.337 58.000 0.035 0.000 1.135 344 F CB -0.457 38.547 39.000 0.007 0.000 1.748 344 F HN 0.506 nan 8.300 nan 0.000 0.542 345 G N 0.642 109.593 108.800 0.251 0.000 2.862 345 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.686 345 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.686 345 G C 0.293 175.224 174.900 0.052 0.000 1.134 345 G CA -0.194 44.972 45.100 0.110 0.000 0.791 345 G HN 0.640 nan 8.290 nan 0.000 0.592 346 E N 1.815 122.004 120.200 -0.018 0.000 2.268 346 E HA -0.117 4.232 4.350 -0.001 0.000 0.195 346 E C 2.443 179.016 176.600 -0.044 0.000 0.995 346 E CA 1.118 57.498 56.400 -0.033 0.000 0.836 346 E CB 0.223 29.883 29.700 -0.066 0.000 0.763 346 E HN 0.713 nan 8.360 nan 0.000 0.491 347 I N 1.488 121.997 120.570 -0.101 0.000 2.315 347 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 347 I C 1.313 177.475 176.117 0.075 0.000 1.117 347 I CA 0.985 62.222 61.300 -0.106 0.000 1.404 347 I CB 0.058 37.824 38.000 -0.390 0.000 1.071 347 I HN -0.037 nan 8.210 nan 0.000 0.419 348 N N -0.460 118.318 118.700 0.131 0.000 2.353 348 N HA 0.038 4.777 4.740 -0.001 0.000 0.185 348 N C 1.537 177.114 175.510 0.112 0.000 1.098 348 N CA 0.456 53.617 53.050 0.186 0.000 0.872 348 N CB 0.147 38.778 38.487 0.240 0.000 0.970 348 N HN 0.230 nan 8.380 nan 0.000 0.467 349 M N 0.320 119.965 119.600 0.075 0.000 2.077 349 M HA -0.033 4.447 4.480 -0.001 0.000 0.261 349 M C 2.052 178.385 176.300 0.055 0.000 1.070 349 M CA 1.264 56.594 55.300 0.051 0.000 1.125 349 M CB -0.910 31.710 32.600 0.035 0.000 1.339 349 M HN 0.227 nan 8.290 nan 0.000 0.409 350 M N -1.087 118.551 119.600 0.063 0.000 2.200 350 M HA -0.082 4.397 4.480 -0.001 0.000 0.265 350 M C 1.744 178.124 176.300 0.133 0.000 1.066 350 M CA 1.555 56.899 55.300 0.074 0.000 1.127 350 M CB -0.860 31.782 32.600 0.069 0.000 1.379 350 M HN 0.025 nan 8.290 nan 0.000 0.420 351 L N 1.354 122.686 121.223 0.181 0.000 2.275 351 L HA -0.035 4.305 4.340 -0.001 0.000 0.215 351 L C 2.818 179.815 176.870 0.213 0.000 1.119 351 L CA 1.700 56.699 54.840 0.266 0.000 0.790 351 L CB -0.668 41.537 42.059 0.244 0.000 0.919 351 L HN 0.671 nan 8.230 nan 0.000 0.443 352 S N -2.055 113.723 115.700 0.131 0.000 2.486 352 S HA 0.143 4.613 4.470 -0.001 0.000 0.220 352 S C 1.970 176.605 174.600 0.058 0.000 1.011 352 S CA 0.352 58.604 58.200 0.087 0.000 0.921 352 S CB -0.016 63.215 63.200 0.053 0.000 0.785 352 S HN 0.237 nan 8.310 nan 0.000 0.517 353 A N 2.949 125.799 122.820 0.050 0.000 1.835 353 A HA 0.263 4.583 4.320 -0.001 0.000 0.213 353 A C 2.266 179.830 177.584 -0.034 0.000 1.210 353 A CA 1.290 53.332 52.037 0.008 0.000 0.605 353 A CB -0.913 18.090 19.000 0.004 0.000 0.860 353 A HN 0.605 nan 8.150 nan 0.000 0.447 354 L N -3.160 118.017 121.223 -0.078 0.000 2.095 354 L HA 0.266 4.605 4.340 -0.001 0.000 0.204 354 L C 1.017 177.668 176.870 -0.364 0.000 1.080 354 L CA 0.347 55.027 54.840 -0.267 0.000 0.759 354 L CB -0.748 41.063 42.059 -0.415 0.000 0.914 354 L HN 0.220 nan 8.230 nan 0.000 0.439 355 F N 0.218 120.179 119.950 0.019 0.000 2.403 355 F HA 0.570 5.097 4.527 -0.001 0.000 0.326 355 F C 1.624 177.430 175.800 0.011 0.000 1.099 355 F CA -0.231 57.779 58.000 0.017 0.000 1.036 355 F CB 0.779 39.794 39.000 0.025 0.000 1.336 355 F HN -0.208 nan 8.300 nan 0.000 0.497 356 G N -0.253 108.687 108.800 0.234 0.000 2.490 356 G HA2 0.122 4.082 3.960 -0.001 0.000 0.211 356 G HA3 0.122 4.082 3.960 -0.001 0.000 0.211 356 G C 0.049 174.998 174.900 0.081 0.000 1.159 356 G CA 0.073 45.240 45.100 0.112 0.000 0.819 356 G HN 0.262 nan 8.290 nan 0.000 0.539 357 V N 0.797 120.754 119.914 0.072 0.000 2.715 357 V HA 0.281 4.401 4.120 -0.001 0.000 0.299 357 V C 0.185 176.293 176.094 0.023 0.000 1.054 357 V CA -0.194 62.114 62.300 0.012 0.000 1.077 357 V CB 1.505 33.302 31.823 -0.042 0.000 0.972 357 V HN 0.197 nan 8.190 nan 0.000 0.484 358 K N 5.032 125.430 120.400 -0.004 0.000 2.484 358 K HA 0.396 4.716 4.320 -0.001 0.000 0.226 358 K C -2.575 173.995 176.600 -0.051 0.000 1.031 358 K CA -1.687 54.610 56.287 0.017 0.000 1.026 358 K CB 0.968 33.483 32.500 0.025 0.000 1.412 358 K HN 0.485 nan 8.250 nan 0.000 0.492 359 P HA -0.049 nan 4.420 nan 0.000 0.266 359 P C -1.048 175.973 177.300 -0.465 0.000 1.195 359 P CA -0.078 62.746 63.100 -0.461 0.000 0.768 359 P CB 0.902 32.050 31.700 -0.919 0.000 0.838 360 A N 2.675 125.249 122.820 -0.410 0.000 2.910 360 A HA 0.199 4.518 4.320 -0.001 0.000 0.316 360 A C 0.425 177.898 177.584 -0.185 0.000 1.493 360 A CA -0.628 51.301 52.037 -0.179 0.000 1.150 360 A CB -0.923 18.012 19.000 -0.109 0.000 1.159 360 A HN 0.670 nan 8.150 nan 0.000 0.526 361 W N 1.007 122.332 121.300 0.041 0.000 2.525 361 W HA 0.019 4.678 4.660 -0.001 0.000 0.259 361 W C 0.898 177.181 176.519 -0.394 0.000 1.253 361 W CA 0.614 57.845 57.345 -0.189 0.000 1.262 361 W CB -0.247 29.083 29.460 -0.216 0.000 1.122 361 W HN 0.735 nan 8.180 nan 0.000 0.607 362 F N -2.021 118.011 119.950 0.138 0.000 2.557 362 F HA 0.071 4.598 4.527 -0.001 0.000 0.278 362 F C 2.261 178.062 175.800 0.002 0.000 1.051 362 F CA 0.610 58.649 58.000 0.064 0.000 1.357 362 F CB -0.742 38.309 39.000 0.085 0.000 1.104 362 F HN -0.407 nan 8.300 nan 0.000 0.654 363 S N -1.088 114.718 115.700 0.176 0.000 2.387 363 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 363 S C 0.606 175.188 174.600 -0.029 0.000 1.026 363 S CA 0.799 59.038 58.200 0.066 0.000 0.972 363 S CB -0.216 63.012 63.200 0.046 0.000 0.814 363 S HN 0.206 nan 8.310 nan 0.000 0.477 364 D N 0.759 121.109 120.400 -0.084 0.000 2.232 364 D HA 0.222 4.861 4.640 -0.001 0.000 0.242 364 D C -2.102 174.060 176.300 -0.229 0.000 1.093 364 D CA -2.271 51.628 54.000 -0.169 0.000 0.845 364 D CB 1.810 42.502 40.800 -0.180 0.000 1.124 364 D HN -0.077 nan 8.370 nan 0.000 0.467 365 P HA -0.120 nan 4.420 nan 0.000 0.214 365 P C 1.393 178.465 177.300 -0.379 0.000 1.163 365 P CA 1.258 64.100 63.100 -0.429 0.000 0.883 365 P CB 0.128 31.317 31.700 -0.853 0.000 0.788 366 T N -1.913 112.437 114.554 -0.340 0.000 2.788 366 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 366 T C 1.911 176.478 174.700 -0.222 0.000 1.044 366 T CA 2.142 64.080 62.100 -0.270 0.000 1.139 366 T CB -1.030 67.711 68.868 -0.211 0.000 0.867 366 T HN 0.137 nan 8.240 nan 0.000 0.454 367 T N -0.348 114.068 114.554 -0.230 0.000 3.043 367 T HA 0.339 4.688 4.350 -0.001 0.000 0.263 367 T C 2.047 176.653 174.700 -0.157 0.000 1.094 367 T CA 1.156 63.123 62.100 -0.222 0.000 1.127 367 T CB -0.464 68.191 68.868 -0.357 0.000 0.905 367 T HN 0.368 nan 8.240 nan 0.000 0.490 368 A N 1.668 124.367 122.820 -0.201 0.000 1.898 368 A HA 0.079 4.398 4.320 -0.001 0.000 0.216 368 A C 2.460 179.914 177.584 -0.215 0.000 1.181 368 A CA 1.166 53.072 52.037 -0.218 0.000 0.620 368 A CB -0.541 18.320 19.000 -0.231 0.000 0.819 368 A HN 0.563 nan 8.150 nan 0.000 0.442 369 R N -0.723 119.607 120.500 -0.283 0.000 2.096 369 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 369 R C 2.141 178.475 176.300 0.057 0.000 1.127 369 R CA 1.850 57.779 56.100 -0.285 0.000 0.968 369 R CB -0.600 29.329 30.300 -0.618 0.000 0.861 369 R HN 0.528 nan 8.270 nan 0.000 0.440 370 T N 0.875 115.434 114.554 0.009 0.000 2.812 370 T HA -0.101 4.248 4.350 -0.001 0.000 0.264 370 T C 1.693 176.429 174.700 0.061 0.000 1.042 370 T CA 0.889 63.042 62.100 0.087 0.000 1.140 370 T CB -0.071 68.846 68.868 0.082 0.000 0.870 370 T HN 0.178 nan 8.240 nan 0.000 0.445 371 M N 0.803 120.386 119.600 -0.029 0.000 2.106 371 M HA -0.090 4.390 4.480 -0.001 0.000 0.259 371 M C 1.864 177.928 176.300 -0.394 0.000 1.068 371 M CA 1.479 56.520 55.300 -0.433 0.000 1.100 371 M CB -0.353 31.887 32.600 -0.600 0.000 1.351 371 M HN 0.186 nan 8.290 nan 0.000 0.404 372 L N 0.533 121.679 121.223 -0.130 0.000 2.093 372 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 372 L C 2.450 179.439 176.870 0.198 0.000 1.085 372 L CA 1.564 56.429 54.840 0.043 0.000 0.755 372 L CB -1.177 40.991 42.059 0.183 0.000 0.904 372 L HN 0.478 nan 8.230 nan 0.000 0.435 373 I N -2.047 118.653 120.570 0.216 0.000 2.353 373 I HA -0.182 3.988 4.170 -0.001 0.000 0.248 373 I C 2.456 178.620 176.117 0.077 0.000 1.119 373 I CA 1.160 62.557 61.300 0.163 0.000 1.417 373 I CB -0.444 37.660 38.000 0.173 0.000 1.078 373 I HN 0.152 nan 8.210 nan 0.000 0.421 374 I N 0.261 120.857 120.570 0.043 0.000 2.500 374 I HA -0.036 4.134 4.170 -0.001 0.000 0.252 374 I C 2.092 178.216 176.117 0.013 0.000 1.142 374 I CA 1.254 62.591 61.300 0.062 0.000 1.451 374 I CB -0.583 37.480 38.000 0.105 0.000 1.093 374 I HN 0.023 nan 8.210 nan 0.000 0.430 375 V N 1.685 121.499 119.914 -0.166 0.000 2.307 375 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 375 V C 2.515 178.571 176.094 -0.063 0.000 1.045 375 V CA 2.265 64.317 62.300 -0.413 0.000 1.024 375 V CB -1.266 30.198 31.823 -0.597 0.000 0.651 375 V HN 0.501 nan 8.190 nan 0.000 0.449 376 N N 0.065 118.784 118.700 0.032 0.000 2.223 376 N HA -0.140 4.600 4.740 -0.001 0.000 0.185 376 N C 1.853 177.429 175.510 0.109 0.000 1.016 376 N CA 1.845 54.952 53.050 0.095 0.000 0.863 376 N CB -0.316 38.210 38.487 0.065 0.000 0.983 376 N HN 0.462 nan 8.380 nan 0.000 0.429 377 T N -0.952 113.676 114.554 0.123 0.000 2.708 377 T HA -0.155 4.195 4.350 -0.001 0.000 0.266 377 T C 1.415 176.314 174.700 0.332 0.000 1.037 377 T CA 1.269 63.472 62.100 0.171 0.000 1.146 377 T CB -0.488 68.466 68.868 0.143 0.000 0.865 377 T HN 0.471 nan 8.240 nan 0.000 0.435 378 W N 1.107 122.513 121.300 0.176 0.000 2.363 378 W HA -0.069 4.590 4.660 -0.000 0.000 0.296 378 W C 1.791 178.426 176.519 0.192 0.000 1.212 378 W CA 0.532 58.064 57.345 0.313 0.000 1.260 378 W CB -0.376 29.232 29.460 0.246 0.000 1.131 378 W HN 0.111 nan 8.180 nan 0.000 0.530 379 L N 0.337 121.793 121.223 0.389 0.000 2.240 379 L HA 0.209 4.549 4.340 -0.001 0.000 0.211 379 L C 2.218 179.046 176.870 -0.071 0.000 1.106 379 L CA 2.309 57.282 54.840 0.221 0.000 0.793 379 L CB -0.857 41.389 42.059 0.311 0.000 0.927 379 L HN 0.116 nan 8.230 nan 0.000 0.446 380 G N -2.727 106.029 108.800 -0.074 0.000 2.944 380 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.223 380 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.223 380 G C 1.252 176.045 174.900 -0.177 0.000 1.071 380 G CA 0.458 45.459 45.100 -0.166 0.000 0.806 380 G HN 0.480 nan 8.290 nan 0.000 0.538 381 Y N 1.846 122.062 120.300 -0.139 0.000 2.224 381 Y HA 0.027 4.576 4.550 -0.001 0.000 0.289 381 Y C -0.187 175.610 175.900 -0.171 0.000 1.146 381 Y CA 1.215 59.239 58.100 -0.126 0.000 1.182 381 Y CB -1.427 36.974 38.460 -0.098 0.000 0.983 381 Y HN 0.157 nan 8.280 nan 0.000 0.524 382 P HA -0.206 nan 4.420 nan 0.000 0.222 382 P C 1.306 178.347 177.300 -0.430 0.000 1.147 382 P CA 1.555 64.269 63.100 -0.644 0.000 0.790 382 P CB -0.408 30.854 31.700 -0.730 0.000 0.780 383 Y N 0.726 120.595 120.300 -0.720 0.000 2.145 383 Y HA -0.172 4.377 4.550 -0.000 0.000 0.286 383 Y C 2.354 178.108 175.900 -0.244 0.000 1.145 383 Y CA 1.825 59.595 58.100 -0.550 0.000 1.148 383 Y CB -0.739 37.359 38.460 -0.604 0.000 0.981 383 Y HN -0.242 nan 8.280 nan 0.000 0.507 384 M N -0.003 119.471 119.600 -0.210 0.000 2.200 384 M HA -0.129 4.351 4.480 -0.001 0.000 0.265 384 M C 2.314 178.518 176.300 -0.160 0.000 1.066 384 M CA 1.881 57.062 55.300 -0.197 0.000 1.127 384 M CB -1.127 31.448 32.600 -0.042 0.000 1.379 384 M HN 0.645 nan 8.290 nan 0.000 0.420 385 M N -1.315 118.226 119.600 -0.098 0.000 2.254 385 M HA -0.052 4.428 4.480 -0.001 0.000 0.265 385 M C 1.885 178.139 176.300 -0.076 0.000 1.066 385 M CA 1.649 56.921 55.300 -0.048 0.000 1.123 385 M CB -0.674 31.948 32.600 0.036 0.000 1.388 385 M HN 0.025 nan 8.290 nan 0.000 0.425 386 I N 0.674 121.174 120.570 -0.116 0.000 2.179 386 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 386 I C 2.461 178.498 176.117 -0.132 0.000 1.088 386 I CA 1.023 62.264 61.300 -0.098 0.000 1.357 386 I CB -0.402 37.554 38.000 -0.075 0.000 1.051 386 I HN 0.343 nan 8.210 nan 0.000 0.409 387 L N 0.240 121.323 121.223 -0.232 0.000 1.989 387 L HA -0.280 4.059 4.340 -0.001 0.000 0.211 387 L C 2.549 179.339 176.870 -0.135 0.000 1.071 387 L CA 1.968 56.667 54.840 -0.235 0.000 0.749 387 L CB -0.562 41.271 42.059 -0.377 0.000 0.890 387 L HN 0.320 nan 8.230 nan 0.000 0.431 388 C N -1.195 118.037 119.300 -0.113 0.000 2.435 388 C HA -0.131 4.329 4.460 -0.001 0.000 0.279 388 C C 2.761 177.727 174.990 -0.040 0.000 1.321 388 C CA 0.683 59.663 59.018 -0.065 0.000 1.752 388 C CB -0.708 27.003 27.740 -0.047 0.000 1.959 388 C HN 0.564 nan 8.230 nan 0.000 0.500 389 M N 0.683 120.259 119.600 -0.040 0.000 2.082 389 M HA -0.146 4.333 4.480 -0.001 0.000 0.258 389 M C 2.267 178.557 176.300 -0.017 0.000 1.069 389 M CA 2.345 57.633 55.300 -0.020 0.000 1.102 389 M CB -0.669 31.920 32.600 -0.017 0.000 1.336 389 M HN 0.608 nan 8.290 nan 0.000 0.404 390 G N -0.810 107.974 108.800 -0.027 0.000 2.411 390 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.213 390 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.213 390 G C 1.305 176.193 174.900 -0.019 0.000 1.166 390 G CA 0.072 45.160 45.100 -0.021 0.000 0.802 390 G HN 0.275 nan 8.290 nan 0.000 0.533 391 L N 0.112 121.317 121.223 -0.031 0.000 2.127 391 L HA 0.065 4.405 4.340 -0.001 0.000 0.211 391 L C 2.502 179.363 176.870 -0.015 0.000 1.089 391 L CA 0.952 55.774 54.840 -0.028 0.000 0.757 391 L CB -0.261 41.772 42.059 -0.044 0.000 0.899 391 L HN 0.161 nan 8.230 nan 0.000 0.434 392 L N -0.968 120.251 121.223 -0.006 0.000 2.141 392 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 392 L C 2.233 179.123 176.870 0.033 0.000 1.094 392 L CA 1.482 56.333 54.840 0.017 0.000 0.763 392 L CB -0.612 41.460 42.059 0.022 0.000 0.908 392 L HN 0.093 nan 8.230 nan 0.000 0.437 393 K N -0.479 119.932 120.400 0.018 0.000 2.442 393 K HA 0.022 4.342 4.320 -0.001 0.000 0.198 393 K C 1.992 178.603 176.600 0.019 0.000 1.044 393 K CA 0.922 57.222 56.287 0.021 0.000 0.948 393 K CB -0.477 32.028 32.500 0.008 0.000 0.762 393 K HN 0.373 nan 8.250 nan 0.000 0.472 394 A N 0.393 123.219 122.820 0.011 0.000 2.067 394 A HA 0.020 4.339 4.320 -0.001 0.000 0.219 394 A C 0.724 178.309 177.584 0.003 0.000 1.158 394 A CA 0.487 52.525 52.037 0.001 0.000 0.661 394 A CB -0.382 18.613 19.000 -0.009 0.000 0.801 394 A HN 0.195 nan 8.150 nan 0.000 0.452 395 I N 2.422 123.006 120.570 0.023 0.000 2.379 395 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 395 I C -2.073 174.073 176.117 0.048 0.000 1.063 395 I CA -1.936 59.375 61.300 0.019 0.000 1.351 395 I CB 0.966 38.997 38.000 0.051 0.000 1.410 395 I HN 0.128 nan 8.210 nan 0.000 0.505 396 P HA 0.109 nan 4.420 nan 0.000 0.275 396 P C -0.168 177.165 177.300 0.055 0.000 1.228 396 P CA -0.268 62.843 63.100 0.019 0.000 0.786 396 P CB 1.112 32.804 31.700 -0.013 0.000 0.927 397 D N 1.425 121.880 120.400 0.091 0.000 2.144 397 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 397 D C 1.175 177.545 176.300 0.116 0.000 0.984 397 D CA 1.394 55.488 54.000 0.156 0.000 0.834 397 D CB -0.229 40.616 40.800 0.076 0.000 0.955 397 D HN 0.559 nan 8.370 nan 0.000 0.465 398 D N 1.258 121.681 120.400 0.038 0.000 2.309 398 D HA -0.153 4.486 4.640 -0.001 0.000 0.212 398 D C 2.202 178.490 176.300 -0.020 0.000 0.968 398 D CA 0.279 54.286 54.000 0.012 0.000 0.882 398 D CB -0.761 40.037 40.800 -0.003 0.000 0.918 398 D HN 0.281 nan 8.370 nan 0.000 0.503 399 L N -0.981 120.192 121.223 -0.083 0.000 2.141 399 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 399 L C 2.103 178.841 176.870 -0.220 0.000 1.094 399 L CA 0.942 55.667 54.840 -0.193 0.000 0.763 399 L CB -0.374 41.493 42.059 -0.319 0.000 0.908 399 L HN -0.003 nan 8.230 nan 0.000 0.437 400 Y N -0.373 119.926 120.300 -0.001 0.000 2.457 400 Y HA -0.105 4.445 4.550 -0.001 0.000 0.292 400 Y C 2.463 178.364 175.900 0.001 0.000 1.125 400 Y CA 0.454 58.558 58.100 0.006 0.000 1.254 400 Y CB 0.010 38.470 38.460 0.001 0.000 1.012 400 Y HN 0.180 nan 8.280 nan 0.000 0.555 401 E N 0.129 120.399 120.200 0.117 0.000 2.107 401 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 401 E C 2.335 178.959 176.600 0.040 0.000 0.982 401 E CA 0.824 57.261 56.400 0.061 0.000 0.809 401 E CB -0.140 29.581 29.700 0.035 0.000 0.756 401 E HN 0.463 nan 8.360 nan 0.000 0.459 402 A N 1.043 123.875 122.820 0.019 0.000 1.968 402 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 402 A C 2.328 179.925 177.584 0.021 0.000 1.169 402 A CA 1.205 53.245 52.037 0.006 0.000 0.638 402 A CB -0.253 18.736 19.000 -0.020 0.000 0.812 402 A HN 0.080 nan 8.150 nan 0.000 0.446 403 S N 0.174 115.895 115.700 0.036 0.000 2.356 403 S HA -0.084 4.386 4.470 -0.001 0.000 0.223 403 S C 2.331 176.980 174.600 0.082 0.000 1.032 403 S CA 1.264 59.506 58.200 0.069 0.000 1.005 403 S CB -0.500 62.778 63.200 0.128 0.000 0.867 403 S HN 0.797 nan 8.310 nan 0.000 0.449 404 A N 1.768 124.640 122.820 0.087 0.000 1.902 404 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 404 A C 2.024 179.640 177.584 0.053 0.000 1.181 404 A CA 1.481 53.562 52.037 0.074 0.000 0.623 404 A CB -0.519 18.519 19.000 0.063 0.000 0.818 404 A HN 0.372 nan 8.150 nan 0.000 0.443 405 M N -0.140 119.485 119.600 0.041 0.000 2.394 405 M HA -0.044 4.436 4.480 -0.001 0.000 0.264 405 M C 0.533 176.852 176.300 0.031 0.000 1.073 405 M CA 0.996 56.314 55.300 0.031 0.000 1.111 405 M CB -1.453 31.160 32.600 0.022 0.000 1.401 405 M HN 0.317 nan 8.290 nan 0.000 0.448 406 D N 0.135 120.556 120.400 0.036 0.000 2.339 406 D HA 0.281 4.920 4.640 -0.001 0.000 0.217 406 D C 0.668 176.996 176.300 0.046 0.000 1.050 406 D CA 0.540 54.562 54.000 0.036 0.000 0.856 406 D CB 0.157 40.977 40.800 0.034 0.000 0.922 406 D HN 0.461 nan 8.370 nan 0.000 0.518 407 G N 0.305 109.138 108.800 0.054 0.000 2.623 407 G HA2 0.140 4.100 3.960 -0.001 0.000 0.281 407 G HA3 0.140 4.100 3.960 -0.001 0.000 0.281 407 G C -0.139 174.810 174.900 0.081 0.000 1.087 407 G CA -0.064 45.073 45.100 0.062 0.000 1.244 407 G HN 0.526 nan 8.290 nan 0.000 0.544 408 A N 0.000 122.880 122.820 0.100 0.000 2.566 408 A HA 1.270 5.589 4.320 -0.001 0.000 0.292 408 A C 0.748 178.426 177.584 0.157 0.000 1.112 408 A CA 0.538 52.653 52.037 0.129 0.000 0.707 408 A CB 1.581 20.660 19.000 0.132 0.000 1.302 408 A HN 2.842 nan 8.150 nan 0.000 0.409 409 G N 0.181 109.093 108.800 0.185 0.000 2.617 409 G HA2 0.212 4.172 3.960 -0.001 0.000 0.686 409 G HA3 0.212 4.172 3.960 -0.001 0.000 0.686 409 G C -1.897 173.107 174.900 0.175 0.000 1.214 409 G CA 0.007 45.225 45.100 0.197 0.000 0.796 409 G HN 0.858 nan 8.290 nan 0.000 0.654 410 P HA 0.193 nan 4.420 nan 0.000 0.234 410 P C 1.652 178.915 177.300 -0.062 0.000 1.175 410 P CA 0.671 63.749 63.100 -0.037 0.000 0.801 410 P CB 0.084 31.546 31.700 -0.396 0.000 0.891 411 F N 1.027 121.036 119.950 0.097 0.000 2.146 411 F HA -0.114 4.412 4.527 -0.001 0.000 0.298 411 F C 2.690 178.695 175.800 0.343 0.000 1.096 411 F CA 1.335 59.454 58.000 0.197 0.000 1.275 411 F CB -0.874 38.227 39.000 0.169 0.000 1.008 411 F HN -0.110 nan 8.300 nan 0.000 0.480 412 Q N 0.223 120.276 119.800 0.421 0.000 2.050 412 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 412 Q C 1.898 178.077 176.000 0.299 0.000 0.980 412 Q CA 1.699 57.700 55.803 0.330 0.000 0.840 412 Q CB -0.561 28.314 28.738 0.228 0.000 0.898 412 Q HN 0.546 nan 8.270 nan 0.000 0.424 413 N N 0.003 118.867 118.700 0.273 0.000 2.061 413 N HA -0.192 4.548 4.740 -0.001 0.000 0.193 413 N C 1.670 177.331 175.510 0.252 0.000 1.030 413 N CA 1.058 54.276 53.050 0.281 0.000 0.856 413 N CB -0.190 38.498 38.487 0.335 0.000 1.023 413 N HN 0.127 nan 8.380 nan 0.000 0.424 414 F N 0.858 120.838 119.950 0.050 0.000 2.069 414 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 414 F C 1.616 177.300 175.800 -0.194 0.000 1.113 414 F CA 1.613 59.521 58.000 -0.152 0.000 1.214 414 F CB -0.233 38.532 39.000 -0.392 0.000 0.978 414 F HN -0.046 nan 8.300 nan 0.000 0.474 415 F N -0.208 119.865 119.950 0.205 0.000 2.615 415 F HA 0.016 4.542 4.527 -0.001 0.000 0.297 415 F C 1.809 177.625 175.800 0.027 0.000 1.124 415 F CA 0.365 58.421 58.000 0.094 0.000 1.451 415 F CB -0.150 38.967 39.000 0.194 0.000 1.103 415 F HN -0.167 nan 8.300 nan 0.000 0.569 416 K N -0.780 119.730 120.400 0.183 0.000 2.370 416 K HA 0.246 4.566 4.320 -0.001 0.000 0.194 416 K C 1.384 177.997 176.600 0.023 0.000 1.070 416 K CA 0.571 56.920 56.287 0.104 0.000 0.998 416 K CB 0.766 33.335 32.500 0.116 0.000 0.911 416 K HN 0.193 nan 8.250 nan 0.000 0.533 417 I N -0.148 120.420 120.570 -0.003 0.000 3.809 417 I HA -0.050 4.120 4.170 -0.001 0.000 0.245 417 I C 2.378 178.431 176.117 -0.106 0.000 1.119 417 I CA 1.006 62.260 61.300 -0.075 0.000 1.597 417 I CB -1.248 36.671 38.000 -0.136 0.000 1.605 417 I HN 0.059 nan 8.210 nan 0.000 0.441 418 T N 1.908 116.421 114.554 -0.068 0.000 2.652 418 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 418 T C 2.077 176.597 174.700 -0.301 0.000 1.039 418 T CA 2.080 64.114 62.100 -0.109 0.000 1.153 418 T CB -0.578 68.284 68.868 -0.010 0.000 0.863 418 T HN 0.234 nan 8.240 nan 0.000 0.428 419 L N 2.067 122.950 121.223 -0.567 0.000 1.961 419 L HA 0.076 4.415 4.340 -0.001 0.000 0.210 419 L C -0.654 176.073 176.870 -0.238 0.000 1.072 419 L CA 1.571 56.089 54.840 -0.537 0.000 0.749 419 L CB -0.878 40.733 42.059 -0.746 0.000 0.889 419 L HN 0.262 nan 8.230 nan 0.000 0.432 420 P HA -0.107 nan 4.420 nan 0.000 0.244 420 P C 0.945 178.200 177.300 -0.074 0.000 1.211 420 P CA 0.814 63.868 63.100 -0.077 0.000 0.760 420 P CB 0.176 31.854 31.700 -0.035 0.000 0.961 421 L N -1.413 119.751 121.223 -0.098 0.000 2.808 421 L HA 0.296 4.635 4.340 -0.001 0.000 0.246 421 L C 1.642 178.469 176.870 -0.071 0.000 1.153 421 L CA 0.564 55.356 54.840 -0.079 0.000 0.956 421 L CB -0.305 41.701 42.059 -0.089 0.000 1.270 421 L HN -0.144 nan 8.230 nan 0.000 0.528 422 L N -1.210 119.963 121.223 -0.084 0.000 2.766 422 L HA 0.134 4.474 4.340 -0.001 0.000 0.241 422 L C 2.098 178.936 176.870 -0.053 0.000 1.080 422 L CA 0.007 54.804 54.840 -0.070 0.000 0.909 422 L CB 0.006 42.011 42.059 -0.090 0.000 1.277 422 L HN 0.111 nan 8.230 nan 0.000 0.510 423 I N -0.529 120.010 120.570 -0.052 0.000 2.335 423 I HA -0.256 3.914 4.170 -0.001 0.000 0.251 423 I C 2.209 178.318 176.117 -0.014 0.000 1.129 423 I CA 1.750 63.034 61.300 -0.026 0.000 1.402 423 I CB -0.811 37.181 38.000 -0.014 0.000 1.069 423 I HN 0.288 nan 8.210 nan 0.000 0.424 424 K N 1.955 122.344 120.400 -0.019 0.000 1.984 424 K HA -0.045 4.274 4.320 -0.001 0.000 0.209 424 K C -0.211 176.383 176.600 -0.010 0.000 1.046 424 K CA 1.779 58.058 56.287 -0.013 0.000 0.934 424 K CB -1.349 31.141 32.500 -0.016 0.000 0.717 424 K HN 0.324 nan 8.250 nan 0.000 0.438 425 P HA -0.118 nan 4.420 nan 0.000 0.226 425 P C 1.436 178.730 177.300 -0.009 0.000 1.153 425 P CA 0.861 63.953 63.100 -0.013 0.000 0.777 425 P CB 0.079 31.766 31.700 -0.021 0.000 0.794 426 L N -0.859 120.358 121.223 -0.011 0.000 2.416 426 L HA 0.075 4.415 4.340 -0.001 0.000 0.216 426 L C 2.296 179.177 176.870 0.017 0.000 1.098 426 L CA 1.334 56.171 54.840 -0.005 0.000 0.840 426 L CB -1.110 40.939 42.059 -0.017 0.000 0.981 426 L HN -0.132 nan 8.230 nan 0.000 0.462 427 T N 1.153 115.717 114.554 0.016 0.000 2.635 427 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 427 T C -0.668 174.056 174.700 0.039 0.000 1.040 427 T CA 2.058 64.173 62.100 0.025 0.000 1.156 427 T CB -1.153 67.724 68.868 0.015 0.000 0.863 427 T HN 0.320 nan 8.240 nan 0.000 0.430 428 P HA 0.014 nan 4.420 nan 0.000 0.218 428 P C 1.473 178.820 177.300 0.079 0.000 1.149 428 P CA 0.968 64.101 63.100 0.055 0.000 0.817 428 P CB -0.233 31.495 31.700 0.047 0.000 0.785 429 L N -0.873 120.395 121.223 0.075 0.000 2.291 429 L HA 0.012 4.351 4.340 -0.001 0.000 0.214 429 L C 2.688 179.641 176.870 0.139 0.000 1.120 429 L CA 1.124 56.028 54.840 0.106 0.000 0.799 429 L CB -0.777 41.323 42.059 0.069 0.000 0.925 429 L HN -0.033 nan 8.230 nan 0.000 0.446 430 M N -1.369 118.300 119.600 0.114 0.000 2.492 430 M HA 0.134 4.613 4.480 -0.001 0.000 0.255 430 M C 2.077 178.474 176.300 0.162 0.000 1.139 430 M CA 0.947 56.328 55.300 0.134 0.000 1.096 430 M CB -0.345 32.318 32.600 0.105 0.000 1.360 430 M HN 0.198 nan 8.290 nan 0.000 0.480 431 I N -0.516 120.133 120.570 0.132 0.000 2.500 431 I HA 0.159 4.328 4.170 -0.001 0.000 0.252 431 I C 2.473 178.727 176.117 0.227 0.000 1.142 431 I CA 1.141 62.531 61.300 0.150 0.000 1.451 431 I CB -0.552 37.490 38.000 0.070 0.000 1.093 431 I HN 0.177 nan 8.210 nan 0.000 0.430 432 A N 0.659 123.590 122.820 0.186 0.000 1.968 432 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 432 A C 2.494 180.209 177.584 0.217 0.000 1.169 432 A CA 1.735 53.888 52.037 0.194 0.000 0.638 432 A CB -0.833 18.261 19.000 0.157 0.000 0.812 432 A HN 0.490 nan 8.150 nan 0.000 0.446 433 S N -1.612 114.208 115.700 0.199 0.000 2.406 433 S HA -0.104 4.366 4.470 -0.001 0.000 0.228 433 S C 1.663 176.410 174.600 0.244 0.000 1.020 433 S CA 1.195 59.501 58.200 0.177 0.000 0.965 433 S CB -0.538 62.744 63.200 0.136 0.000 0.798 433 S HN 0.579 nan 8.310 nan 0.000 0.488 434 F N 2.176 122.201 119.950 0.124 0.000 2.134 434 F HA 0.010 4.536 4.527 -0.001 0.000 0.299 434 F C 2.212 178.127 175.800 0.190 0.000 1.097 434 F CA 1.363 59.438 58.000 0.126 0.000 1.264 434 F CB -0.593 38.459 39.000 0.087 0.000 1.001 434 F HN 0.268 nan 8.300 nan 0.000 0.479 435 A N -0.274 122.673 122.820 0.211 0.000 1.968 435 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 435 A C 2.068 179.756 177.584 0.173 0.000 1.169 435 A CA 1.244 53.362 52.037 0.135 0.000 0.638 435 A CB -1.468 17.651 19.000 0.198 0.000 0.812 435 A HN 0.568 nan 8.150 nan 0.000 0.446 436 F N 1.339 121.328 119.950 0.065 0.000 2.102 436 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 436 F C 1.871 177.700 175.800 0.049 0.000 1.105 436 F CA 1.984 60.016 58.000 0.053 0.000 1.239 436 F CB -0.073 38.931 39.000 0.006 0.000 0.991 436 F HN 0.198 nan 8.300 nan 0.000 0.474 437 N N -0.275 118.509 118.700 0.140 0.000 2.515 437 N HA -0.127 4.613 4.740 -0.001 0.000 0.185 437 N C 1.665 177.161 175.510 -0.024 0.000 1.109 437 N CA 0.494 53.562 53.050 0.030 0.000 0.903 437 N CB -0.473 37.989 38.487 -0.040 0.000 0.969 437 N HN 0.346 nan 8.380 nan 0.000 0.450 438 F N 1.460 121.254 119.950 -0.260 0.000 2.234 438 F HA -0.019 4.508 4.527 -0.001 0.000 0.299 438 F C 0.556 176.281 175.800 -0.126 0.000 1.087 438 F CA 1.094 58.922 58.000 -0.287 0.000 1.340 438 F CB 0.193 38.975 39.000 -0.364 0.000 1.031 438 F HN -0.024 nan 8.300 nan 0.000 0.500 439 N N -0.054 118.672 118.700 0.044 0.000 2.541 439 N HA 0.026 4.766 4.740 -0.001 0.000 0.297 439 N C -0.511 174.942 175.510 -0.096 0.000 1.503 439 N CA -0.182 52.874 53.050 0.010 0.000 0.919 439 N CB -0.113 38.435 38.487 0.102 0.000 1.305 439 N HN -0.024 nan 8.380 nan 0.000 0.501 440 N N 1.392 120.014 118.700 -0.131 0.000 3.103 440 N HA -0.010 4.729 4.740 -0.001 0.000 0.305 440 N C 0.491 175.969 175.510 -0.052 0.000 1.232 440 N CA -0.020 52.937 53.050 -0.155 0.000 1.190 440 N CB -0.215 38.258 38.487 -0.024 0.000 1.461 440 N HN 0.349 nan 8.380 nan 0.000 0.538 441 F N 1.952 121.808 119.950 -0.157 0.000 2.065 441 F HA -0.292 4.234 4.527 -0.001 0.000 0.298 441 F C 1.890 177.621 175.800 -0.114 0.000 1.112 441 F CA 1.506 59.425 58.000 -0.136 0.000 1.212 441 F CB -0.045 38.867 39.000 -0.147 0.000 0.975 441 F HN 0.121 nan 8.300 nan 0.000 0.476 442 V N 0.739 120.663 119.914 0.017 0.000 2.282 442 V HA -0.332 3.788 4.120 -0.001 0.000 0.249 442 V C 2.347 178.384 176.094 -0.095 0.000 1.057 442 V CA 1.994 64.281 62.300 -0.021 0.000 1.032 442 V CB -1.073 30.826 31.823 0.125 0.000 0.645 442 V HN 0.506 nan 8.190 nan 0.000 0.447 443 L N -0.370 120.825 121.223 -0.046 0.000 2.079 443 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 443 L C 2.216 179.020 176.870 -0.109 0.000 1.081 443 L CA 1.928 56.752 54.840 -0.026 0.000 0.752 443 L CB -0.438 41.655 42.059 0.056 0.000 0.896 443 L HN 0.164 nan 8.230 nan 0.000 0.433 444 I N -0.873 119.575 120.570 -0.204 0.000 2.162 444 I HA -0.197 3.973 4.170 -0.001 0.000 0.238 444 I C 2.488 178.462 176.117 -0.238 0.000 1.076 444 I CA 1.069 62.230 61.300 -0.232 0.000 1.353 444 I CB -1.692 36.144 38.000 -0.274 0.000 1.063 444 I HN 0.346 nan 8.210 nan 0.000 0.408 445 Q N 0.500 120.060 119.800 -0.400 0.000 2.181 445 Q HA -0.174 4.166 4.340 -0.001 0.000 0.205 445 Q C 2.307 178.204 176.000 -0.173 0.000 0.980 445 Q CA 1.352 56.941 55.803 -0.356 0.000 0.862 445 Q CB -0.464 27.899 28.738 -0.624 0.000 0.905 445 Q HN 0.390 nan 8.270 nan 0.000 0.429 446 L N -0.340 120.800 121.223 -0.140 0.000 2.156 446 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 446 L C 2.196 179.049 176.870 -0.029 0.000 1.095 446 L CA 1.215 56.012 54.840 -0.072 0.000 0.770 446 L CB -0.470 41.546 42.059 -0.072 0.000 0.914 446 L HN 0.133 nan 8.230 nan 0.000 0.439 447 L N -1.843 119.370 121.223 -0.017 0.000 2.116 447 L HA 0.084 4.424 4.340 -0.001 0.000 0.200 447 L C 0.416 177.365 176.870 0.131 0.000 1.084 447 L CA 0.880 55.759 54.840 0.066 0.000 0.766 447 L CB -0.270 41.784 42.059 -0.009 0.000 0.930 447 L HN 0.284 nan 8.230 nan 0.000 0.453 448 T N -3.766 110.812 114.554 0.040 0.000 2.971 448 T HA 0.270 4.620 4.350 -0.001 0.000 0.304 448 T C -0.331 174.360 174.700 -0.015 0.000 1.038 448 T CA -0.722 61.414 62.100 0.060 0.000 1.007 448 T CB 1.309 70.212 68.868 0.057 0.000 1.055 448 T HN -0.088 nan 8.240 nan 0.000 0.451 449 N N 1.637 120.337 118.700 -0.000 0.000 2.581 449 N HA 0.375 5.114 4.740 -0.001 0.000 0.230 449 N C 1.568 177.079 175.510 0.002 0.000 1.310 449 N CA 0.892 53.931 53.050 -0.018 0.000 0.886 449 N CB -0.357 38.138 38.487 0.013 0.000 1.205 449 N HN 1.134 nan 8.380 nan 0.000 0.488 450 G N -1.788 107.004 108.800 -0.013 0.000 2.176 450 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.232 450 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.232 450 G C 0.520 175.423 174.900 0.005 0.000 0.986 450 G CA -0.336 44.758 45.100 -0.010 0.000 0.643 450 G HN 0.639 nan 8.290 nan 0.000 0.522 451 G N 1.329 110.149 108.800 0.034 0.000 2.353 451 G HA2 0.461 4.421 3.960 -0.001 0.000 0.239 451 G HA3 0.461 4.421 3.960 -0.001 0.000 0.239 451 G C -1.236 173.698 174.900 0.057 0.000 1.295 451 G CA 0.367 45.510 45.100 0.070 0.000 0.884 451 G HN 0.402 nan 8.290 nan 0.000 0.537 452 P HA 0.190 nan 4.420 nan 0.000 0.279 452 P C -0.323 177.071 177.300 0.156 0.000 1.276 452 P CA -0.724 62.444 63.100 0.112 0.000 0.801 452 P CB 1.058 32.809 31.700 0.085 0.000 1.127 453 D N -0.224 120.245 120.400 0.115 0.000 2.423 453 D HA 0.006 4.645 4.640 -0.001 0.000 0.238 453 D C 1.364 177.699 176.300 0.060 0.000 1.142 453 D CA 0.209 54.247 54.000 0.064 0.000 0.884 453 D CB 0.505 41.335 40.800 0.049 0.000 1.199 453 D HN 0.179 nan 8.370 nan 0.000 0.438 454 R N 1.556 121.965 120.500 -0.152 0.000 2.193 454 R HA 0.133 4.473 4.340 -0.001 0.000 0.213 454 R C 0.020 176.250 176.300 -0.117 0.000 1.055 454 R CA 0.089 55.952 56.100 -0.395 0.000 0.995 454 R CB -0.320 29.665 30.300 -0.524 0.000 0.893 454 R HN 0.535 nan 8.270 nan 0.000 0.459 455 L N -0.224 120.977 121.223 -0.035 0.000 2.794 455 L HA -0.238 4.101 4.340 -0.001 0.000 0.613 455 L C 0.552 177.417 176.870 -0.009 0.000 1.002 455 L CA 0.516 55.359 54.840 0.005 0.000 1.323 455 L CB -1.312 40.774 42.059 0.045 0.000 1.787 455 L HN 0.521 nan 8.230 nan 0.000 0.859 456 G N 0.654 109.451 108.800 -0.005 0.000 2.218 456 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 456 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 456 G C 0.214 175.112 174.900 -0.004 0.000 0.994 456 G CA 0.152 45.250 45.100 -0.003 0.000 0.637 456 G HN 1.168 nan 8.290 nan 0.000 0.505 457 T N 0.972 115.518 114.554 -0.014 0.000 2.769 457 T HA 0.438 4.787 4.350 -0.001 0.000 0.293 457 T C 1.727 176.444 174.700 0.029 0.000 0.931 457 T CA 0.946 63.047 62.100 0.002 0.000 1.139 457 T CB 1.177 70.035 68.868 -0.016 0.000 0.881 457 T HN 0.922 nan 8.240 nan 0.000 0.532 458 T N -0.025 114.551 114.554 0.036 0.000 2.962 458 T HA 0.000 4.350 4.350 -0.001 0.000 0.270 458 T C 0.968 175.697 174.700 0.048 0.000 1.088 458 T CA 0.657 62.778 62.100 0.034 0.000 1.127 458 T CB -0.624 68.260 68.868 0.027 0.000 0.883 458 T HN 0.838 nan 8.240 nan 0.000 0.493 459 T N -0.232 114.375 114.554 0.088 0.000 2.786 459 T HA 0.515 4.865 4.350 -0.001 0.000 0.283 459 T C -3.245 171.570 174.700 0.192 0.000 0.992 459 T CA -2.488 59.680 62.100 0.114 0.000 0.954 459 T CB 1.440 70.382 68.868 0.124 0.000 0.934 459 T HN -0.192 nan 8.240 nan 0.000 0.440 460 P HA 0.151 nan 4.420 nan 0.000 0.214 460 P C -0.693 176.770 177.300 0.272 0.000 0.970 460 P CA 0.691 63.877 63.100 0.143 0.000 1.047 460 P CB -0.714 31.042 31.700 0.094 0.000 1.015 461 A N 3.063 125.984 122.820 0.169 0.000 2.455 461 A HA 0.771 5.090 4.320 -0.001 0.000 0.300 461 A C 0.083 177.625 177.584 -0.069 0.000 1.040 461 A CA -0.135 51.943 52.037 0.069 0.000 0.697 461 A CB 1.975 20.892 19.000 -0.139 0.000 1.265 461 A HN 0.445 nan 8.150 nan 0.000 0.407 462 G N -0.690 108.054 108.800 -0.093 0.000 2.816 462 G HA2 0.508 4.467 3.960 -0.001 0.000 0.288 462 G HA3 0.508 4.467 3.960 -0.001 0.000 0.288 462 G C -0.224 174.537 174.900 -0.232 0.000 1.334 462 G CA -0.359 44.658 45.100 -0.138 0.000 0.978 462 G HN 0.579 nan 8.290 nan 0.000 0.493 463 Y N -0.528 119.681 120.300 -0.151 0.000 2.373 463 Y HA -0.008 4.541 4.550 -0.001 0.000 0.293 463 Y C 3.019 178.664 175.900 -0.425 0.000 1.129 463 Y CA 1.881 59.824 58.100 -0.262 0.000 1.226 463 Y CB 0.361 38.659 38.460 -0.270 0.000 1.000 463 Y HN 0.411 nan 8.280 nan 0.000 0.549 464 T N -1.409 113.040 114.554 -0.176 0.000 3.081 464 T HA -0.004 4.346 4.350 -0.001 0.000 0.250 464 T C 0.102 174.832 174.700 0.050 0.000 1.100 464 T CA 0.038 62.009 62.100 -0.215 0.000 1.038 464 T CB -0.160 68.626 68.868 -0.136 0.000 0.962 464 T HN 0.066 nan 8.240 nan 0.000 0.516 465 D N 2.013 122.425 120.400 0.020 0.000 2.450 465 D HA 0.180 4.820 4.640 -0.001 0.000 0.247 465 D C 0.566 176.944 176.300 0.130 0.000 1.162 465 D CA 0.148 54.186 54.000 0.063 0.000 0.879 465 D CB 0.797 41.630 40.800 0.055 0.000 1.163 465 D HN 0.259 nan 8.370 nan 0.000 0.472 466 L N 2.214 123.448 121.223 0.018 0.000 2.540 466 L HA 0.028 4.368 4.340 -0.001 0.000 0.215 466 L C 1.971 178.839 176.870 -0.003 0.000 1.204 466 L CA -0.960 53.816 54.840 -0.106 0.000 0.841 466 L CB 0.249 42.169 42.059 -0.233 0.000 1.420 466 L HN 0.274 nan 8.230 nan 0.000 0.519 467 L N 0.301 121.482 121.223 -0.069 0.000 2.109 467 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 467 L C 2.126 179.127 176.870 0.219 0.000 1.086 467 L CA 1.520 56.423 54.840 0.105 0.000 0.760 467 L CB -0.432 41.692 42.059 0.109 0.000 0.910 467 L HN 0.487 nan 8.230 nan 0.000 0.437 468 V N 0.153 120.170 119.914 0.171 0.000 2.453 468 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 468 V C 2.082 178.397 176.094 0.368 0.000 1.048 468 V CA 1.894 64.343 62.300 0.249 0.000 1.049 468 V CB -0.242 31.712 31.823 0.218 0.000 0.672 468 V HN 0.539 nan 8.190 nan 0.000 0.457 469 N N -0.893 118.009 118.700 0.336 0.000 2.106 469 N HA -0.203 4.536 4.740 -0.001 0.000 0.188 469 N C 1.821 177.552 175.510 0.370 0.000 1.029 469 N CA 1.873 55.132 53.050 0.349 0.000 0.848 469 N CB -0.464 38.079 38.487 0.092 0.000 1.007 469 N HN 0.704 nan 8.380 nan 0.000 0.423 470 Y N 1.532 121.936 120.300 0.174 0.000 2.145 470 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 470 Y C 2.304 178.307 175.900 0.172 0.000 1.145 470 Y CA 1.447 59.635 58.100 0.146 0.000 1.148 470 Y CB -0.395 38.129 38.460 0.106 0.000 0.981 470 Y HN -0.020 nan 8.280 nan 0.000 0.507 471 T N -0.000 114.634 114.554 0.134 0.000 2.652 471 T HA -0.309 4.041 4.350 -0.001 0.000 0.267 471 T C 1.421 176.179 174.700 0.096 0.000 1.039 471 T CA 1.912 64.034 62.100 0.037 0.000 1.153 471 T CB -0.871 68.086 68.868 0.148 0.000 0.863 471 T HN 0.608 nan 8.240 nan 0.000 0.428 472 Y N 1.965 122.354 120.300 0.148 0.000 2.151 472 Y HA -0.205 4.344 4.550 -0.001 0.000 0.284 472 Y C 2.494 178.540 175.900 0.243 0.000 1.166 472 Y CA 1.514 59.770 58.100 0.260 0.000 1.163 472 Y CB -0.083 38.531 38.460 0.257 0.000 0.974 472 Y HN 0.041 nan 8.280 nan 0.000 0.511 473 R N 0.193 120.855 120.500 0.270 0.000 2.148 473 R HA -0.033 4.307 4.340 -0.001 0.000 0.223 473 R C 2.159 178.423 176.300 -0.059 0.000 1.088 473 R CA 1.592 57.765 56.100 0.123 0.000 0.985 473 R CB -0.412 29.986 30.300 0.163 0.000 0.880 473 R HN 0.605 nan 8.270 nan 0.000 0.451 474 I N -3.419 117.052 120.570 -0.166 0.000 3.578 474 I HA 0.206 4.376 4.170 -0.001 0.000 0.295 474 I C 1.716 177.687 176.117 -0.245 0.000 1.280 474 I CA 0.623 61.780 61.300 -0.239 0.000 1.347 474 I CB 0.140 37.908 38.000 -0.386 0.000 1.051 474 I HN -0.107 nan 8.210 nan 0.000 0.460 475 A N 1.065 123.725 122.820 -0.267 0.000 1.944 475 A HA 0.283 4.603 4.320 -0.001 0.000 0.207 475 A C 1.689 178.903 177.584 -0.617 0.000 1.265 475 A CA 0.391 52.160 52.037 -0.447 0.000 0.712 475 A CB -0.572 18.122 19.000 -0.510 0.000 0.915 475 A HN 0.342 nan 8.150 nan 0.000 0.470 476 F N 0.563 120.234 119.950 -0.465 0.000 2.243 476 F HA 0.211 4.737 4.527 -0.001 0.000 0.287 476 F C 1.585 177.179 175.800 -0.344 0.000 1.067 476 F CA 0.540 58.231 58.000 -0.515 0.000 1.304 476 F CB -0.299 38.201 39.000 -0.834 0.000 1.087 476 F HN 0.128 nan 8.300 nan 0.000 0.513 477 E N -0.576 119.575 120.200 -0.082 0.000 3.655 477 E HA 0.362 4.711 4.350 -0.001 0.000 0.280 477 E C 0.970 177.531 176.600 -0.065 0.000 1.425 477 E CA 0.261 56.640 56.400 -0.035 0.000 1.341 477 E CB -0.076 29.649 29.700 0.042 0.000 1.349 477 E HN 0.256 nan 8.360 nan 0.000 0.775 478 G N -0.153 108.626 108.800 -0.034 0.000 2.198 478 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.260 478 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.260 478 G C 0.624 175.489 174.900 -0.059 0.000 1.025 478 G CA 0.532 45.605 45.100 -0.045 0.000 0.769 478 G HN 1.022 nan 8.290 nan 0.000 0.507 479 G N -1.160 107.606 108.800 -0.056 0.000 2.645 479 G HA2 0.417 4.376 3.960 -0.001 0.000 0.239 479 G HA3 0.417 4.376 3.960 -0.001 0.000 0.239 479 G C 1.740 176.584 174.900 -0.094 0.000 1.331 479 G CA 1.312 46.375 45.100 -0.062 0.000 0.890 479 G HN 2.509 nan 8.290 nan 0.000 0.572 480 G N -1.019 107.727 108.800 -0.090 0.000 2.212 480 G HA2 0.404 4.363 3.960 -0.001 0.000 0.267 480 G HA3 0.404 4.363 3.960 -0.001 0.000 0.267 480 G C 1.898 176.711 174.900 -0.146 0.000 1.002 480 G CA 0.928 45.962 45.100 -0.110 0.000 0.729 480 G HN 3.249 nan 8.290 nan 0.000 0.517 481 G N -1.466 107.250 108.800 -0.140 0.000 2.796 481 G HA2 0.008 3.968 3.960 -0.001 0.000 0.226 481 G HA3 0.008 3.968 3.960 -0.001 0.000 0.226 481 G C -0.227 174.504 174.900 -0.282 0.000 1.381 481 G CA 0.197 45.190 45.100 -0.179 0.000 0.867 481 G HN 1.250 nan 8.290 nan 0.000 0.552 482 Q N 0.409 119.980 119.800 -0.381 0.000 2.441 482 Q HA 0.293 4.633 4.340 -0.001 0.000 0.234 482 Q C -0.524 174.850 176.000 -1.044 0.000 1.078 482 Q CA -0.405 55.011 55.803 -0.645 0.000 0.907 482 Q CB 1.101 29.524 28.738 -0.525 0.000 1.269 482 Q HN 0.467 nan 8.270 nan 0.000 0.502 483 D N 2.886 122.743 120.400 -0.905 0.000 2.470 483 D HA 0.037 4.677 4.640 -0.001 0.000 0.226 483 D C 0.053 175.884 176.300 -0.780 0.000 1.196 483 D CA -0.052 53.517 54.000 -0.720 0.000 0.979 483 D CB 0.142 40.652 40.800 -0.483 0.000 1.059 483 D HN 0.472 nan 8.370 nan 0.000 0.515 484 F N 1.194 120.889 119.950 -0.426 0.000 2.186 484 F HA -0.021 4.506 4.527 -0.001 0.000 0.299 484 F C 2.596 178.288 175.800 -0.180 0.000 1.090 484 F CA 0.692 58.526 58.000 -0.277 0.000 1.307 484 F CB -0.136 38.829 39.000 -0.058 0.000 1.019 484 F HN 0.398 nan 8.300 nan 0.000 0.489 485 G N 0.468 109.273 108.800 0.009 0.000 2.446 485 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 485 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 485 G C 1.587 176.368 174.900 -0.199 0.000 1.168 485 G CA 0.978 46.046 45.100 -0.054 0.000 0.771 485 G HN 0.275 nan 8.290 nan 0.000 0.551 486 L N 1.281 122.352 121.223 -0.254 0.000 2.017 486 L HA 0.134 4.473 4.340 -0.001 0.000 0.208 486 L C 3.134 179.830 176.870 -0.291 0.000 1.073 486 L CA 2.212 56.873 54.840 -0.298 0.000 0.745 486 L CB -0.661 41.218 42.059 -0.301 0.000 0.894 486 L HN 0.243 nan 8.230 nan 0.000 0.432 487 A N -0.522 122.121 122.820 -0.296 0.000 1.908 487 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 487 A C 2.437 179.968 177.584 -0.088 0.000 1.181 487 A CA 1.914 53.837 52.037 -0.191 0.000 0.627 487 A CB -1.213 17.646 19.000 -0.236 0.000 0.818 487 A HN 0.574 nan 8.150 nan 0.000 0.445 488 A N -0.368 122.396 122.820 -0.092 0.000 1.972 488 A HA 0.199 4.518 4.320 -0.001 0.000 0.219 488 A C 2.448 179.923 177.584 -0.181 0.000 1.169 488 A CA 1.939 53.930 52.037 -0.078 0.000 0.635 488 A CB -0.843 18.126 19.000 -0.051 0.000 0.810 488 A HN 1.024 nan 8.150 nan 0.000 0.446 489 A N -0.060 122.520 122.820 -0.400 0.000 1.930 489 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 489 A C 2.052 179.427 177.584 -0.347 0.000 1.175 489 A CA 1.412 52.959 52.037 -0.816 0.000 0.627 489 A CB -0.530 17.725 19.000 -1.242 0.000 0.815 489 A HN 0.491 nan 8.150 nan 0.000 0.443 490 I N -0.228 120.227 120.570 -0.193 0.000 2.353 490 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 490 I C 2.866 179.034 176.117 0.085 0.000 1.119 490 I CA 0.880 62.157 61.300 -0.039 0.000 1.417 490 I CB -0.298 37.677 38.000 -0.040 0.000 1.078 490 I HN 0.304 nan 8.210 nan 0.000 0.421 491 A N 0.674 123.538 122.820 0.074 0.000 1.933 491 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 491 A C 2.394 180.105 177.584 0.212 0.000 1.175 491 A CA 2.411 54.529 52.037 0.136 0.000 0.628 491 A CB -1.067 17.984 19.000 0.086 0.000 0.814 491 A HN 0.406 nan 8.150 nan 0.000 0.444 492 T N 0.321 115.006 114.554 0.218 0.000 2.777 492 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 492 T C 1.832 176.790 174.700 0.429 0.000 1.040 492 T CA 1.344 63.660 62.100 0.361 0.000 1.141 492 T CB -0.340 68.789 68.868 0.434 0.000 0.868 492 T HN 0.351 nan 8.240 nan 0.000 0.444 493 L N 0.945 122.388 121.223 0.365 0.000 2.017 493 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 493 L C 2.566 179.598 176.870 0.270 0.000 1.073 493 L CA 1.367 56.398 54.840 0.318 0.000 0.745 493 L CB -0.594 41.620 42.059 0.258 0.000 0.894 493 L HN 0.378 nan 8.230 nan 0.000 0.432 494 I N -3.687 117.054 120.570 0.284 0.000 2.546 494 I HA -0.255 3.915 4.170 -0.001 0.000 0.255 494 I C 2.513 178.786 176.117 0.260 0.000 1.163 494 I CA 1.218 62.702 61.300 0.306 0.000 1.457 494 I CB -0.584 37.638 38.000 0.370 0.000 1.092 494 I HN 0.088 nan 8.210 nan 0.000 0.434 495 F N 1.446 121.487 119.950 0.150 0.000 2.146 495 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 495 F C 2.148 178.008 175.800 0.100 0.000 1.096 495 F CA 1.395 59.463 58.000 0.113 0.000 1.275 495 F CB -0.056 39.015 39.000 0.119 0.000 1.008 495 F HN -0.017 nan 8.300 nan 0.000 0.480 496 L N 0.549 121.704 121.223 -0.114 0.000 2.156 496 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 496 L C 2.288 179.086 176.870 -0.120 0.000 1.095 496 L CA 1.452 56.167 54.840 -0.208 0.000 0.770 496 L CB -1.127 40.959 42.059 0.046 0.000 0.914 496 L HN 0.424 nan 8.230 nan 0.000 0.439 497 L N -1.314 119.908 121.223 -0.002 0.000 2.027 497 L HA -0.159 4.180 4.340 -0.001 0.000 0.206 497 L C 2.440 179.286 176.870 -0.039 0.000 1.074 497 L CA 1.100 55.959 54.840 0.030 0.000 0.745 497 L CB -0.180 41.961 42.059 0.136 0.000 0.898 497 L HN -0.000 nan 8.230 nan 0.000 0.433 498 V N -0.122 119.715 119.914 -0.128 0.000 2.667 498 V HA -0.074 4.046 4.120 -0.001 0.000 0.252 498 V C 2.295 178.298 176.094 -0.152 0.000 1.065 498 V CA 1.612 63.773 62.300 -0.231 0.000 1.083 498 V CB -0.301 31.274 31.823 -0.413 0.000 0.692 498 V HN 0.648 nan 8.190 nan 0.000 0.468 499 G N -0.528 108.118 108.800 -0.256 0.000 2.404 499 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.215 499 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.215 499 G C 1.714 176.523 174.900 -0.152 0.000 1.174 499 G CA 0.832 45.760 45.100 -0.288 0.000 0.780 499 G HN 0.660 nan 8.290 nan 0.000 0.537 500 A N 0.123 122.868 122.820 -0.125 0.000 2.015 500 A HA 0.191 4.510 4.320 -0.001 0.000 0.219 500 A C 2.242 179.812 177.584 -0.024 0.000 1.163 500 A CA 0.996 52.998 52.037 -0.058 0.000 0.646 500 A CB -0.243 18.735 19.000 -0.037 0.000 0.806 500 A HN 0.347 nan 8.150 nan 0.000 0.448 501 L N -0.694 120.520 121.223 -0.015 0.000 2.095 501 L HA -0.010 4.330 4.340 -0.001 0.000 0.204 501 L C 2.637 179.494 176.870 -0.023 0.000 1.080 501 L CA 2.051 56.902 54.840 0.017 0.000 0.759 501 L CB -1.115 40.989 42.059 0.076 0.000 0.914 501 L HN 0.397 nan 8.230 nan 0.000 0.439 502 A N -0.262 122.544 122.820 -0.023 0.000 2.014 502 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 502 A C 2.161 179.730 177.584 -0.025 0.000 1.163 502 A CA 1.006 53.029 52.037 -0.024 0.000 0.652 502 A CB -0.401 18.615 19.000 0.028 0.000 0.808 502 A HN 0.455 nan 8.150 nan 0.000 0.449 503 I N -0.329 120.228 120.570 -0.022 0.000 2.252 503 I HA -0.131 4.039 4.170 -0.001 0.000 0.245 503 I C 1.074 177.180 176.117 -0.017 0.000 1.102 503 I CA 0.329 61.620 61.300 -0.014 0.000 1.385 503 I CB -0.296 37.696 38.000 -0.014 0.000 1.064 503 I HN 0.056 nan 8.210 nan 0.000 0.414 504 V N 0.000 119.902 119.914 -0.021 0.000 2.409 504 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 504 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 504 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 504 V HN 0.000 nan 8.190 nan 0.000 0.556