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 2glt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKLGIVMDP IANINIKKDS SFAMLLEAQR RGYELHYMEM GDLYLINGEA DATA SEQUENCE RAHTRTLNVK QNYEEWFSFV GEQDLPLADL DVILMRKDPP FDTEFIYATY DATA SEQUENCE ILERAEEKGT LIVNKPQSLR DCNEKLFTAW FSDLTPETLV TRNKAQLKAF DATA SEQUENCE WEKHSDIILK PLDXXXXASI FRVKEGDPNL GVIAETLTEH GTRYCMAQNY DATA SEQUENCE LPAIKDGDKR VLVVDGEPVP YCLARXXXXX XXXXXXXXXX XGEPRPLTES DATA SEQUENCE DWKIARQIGP TLKEKGLIFV GLDIIGDRLT EINVTSPTCI REIEAEFPVS DATA SEQUENCE ITGMLMDAIE ARLQQQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.258 176.300 -0.069 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 I N 1.822 122.293 120.570 -0.165 0.000 2.365 2 I HA 0.324 4.493 4.170 -0.000 0.000 0.291 2 I C 0.020 176.024 176.117 -0.187 0.000 1.004 2 I CA -0.404 60.696 61.300 -0.334 0.000 1.311 2 I CB 1.158 38.625 38.000 -0.889 0.000 1.401 2 I HN 0.416 nan 8.210 nan 0.000 0.491 3 K N 6.904 127.241 120.400 -0.105 0.000 2.264 3 K HA 0.407 4.727 4.320 -0.000 0.000 0.277 3 K C -1.015 175.591 176.600 0.011 0.000 1.067 3 K CA -0.600 55.700 56.287 0.020 0.000 0.900 3 K CB 1.388 33.891 32.500 0.005 0.000 1.124 3 K HN 0.334 nan 8.250 nan 0.000 0.469 4 L N 2.823 124.116 121.223 0.117 0.000 2.305 4 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 4 L C -0.343 176.626 176.870 0.164 0.000 1.013 4 L CA 0.034 54.949 54.840 0.125 0.000 0.819 4 L CB 1.103 43.310 42.059 0.247 0.000 1.227 4 L HN 0.703 nan 8.230 nan 0.000 0.417 5 G N 5.079 113.938 108.800 0.098 0.000 2.434 5 G HA2 0.637 4.597 3.960 -0.000 0.000 0.330 5 G HA3 0.637 4.597 3.960 -0.000 0.000 0.330 5 G C -1.347 173.597 174.900 0.072 0.000 1.155 5 G CA -0.547 44.614 45.100 0.102 0.000 0.917 5 G HN 0.679 nan 8.290 nan 0.000 0.493 6 I N 0.809 121.418 120.570 0.065 0.000 2.569 6 I HA 0.473 4.642 4.170 -0.000 0.000 0.290 6 I C -1.107 174.986 176.117 -0.040 0.000 1.088 6 I CA -0.878 60.446 61.300 0.041 0.000 1.047 6 I CB 2.235 40.295 38.000 0.099 0.000 1.237 6 I HN 0.249 nan 8.210 nan 0.000 0.421 7 V N 8.339 128.220 119.914 -0.055 0.000 2.347 7 V HA 0.566 4.686 4.120 -0.000 0.000 0.280 7 V C 0.068 176.118 176.094 -0.074 0.000 1.021 7 V CA -0.285 61.945 62.300 -0.117 0.000 0.847 7 V CB 1.131 32.878 31.823 -0.125 0.000 0.990 7 V HN 0.826 nan 8.190 nan 0.000 0.444 8 M N 2.286 121.833 119.600 -0.088 0.000 2.813 8 M HA 0.716 5.196 4.480 -0.000 0.000 0.270 8 M C -1.416 174.891 176.300 0.011 0.000 1.267 8 M CA -0.871 54.432 55.300 0.005 0.000 0.822 8 M CB 1.705 34.364 32.600 0.098 0.000 1.671 8 M HN 0.296 nan 8.290 nan 0.000 0.468 9 D N 1.548 121.985 120.400 0.062 0.000 2.344 9 D HA 0.385 5.024 4.640 -0.000 0.000 0.244 9 D C -2.487 173.893 176.300 0.134 0.000 1.134 9 D CA -0.392 53.653 54.000 0.075 0.000 0.930 9 D CB 0.378 41.224 40.800 0.075 0.000 1.175 9 D HN 0.391 nan 8.370 nan 0.000 0.437 10 P HA -0.076 nan 4.420 nan 0.000 0.255 10 P C 0.440 177.824 177.300 0.141 0.000 1.161 10 P CA 0.432 63.644 63.100 0.185 0.000 0.768 10 P CB 0.274 32.057 31.700 0.138 0.000 0.746 11 I N 3.301 123.927 120.570 0.094 0.000 2.756 11 I HA -0.219 3.951 4.170 -0.000 0.000 0.262 11 I C 1.638 177.708 176.117 -0.079 0.000 1.225 11 I CA 1.023 62.267 61.300 -0.093 0.000 1.472 11 I CB 0.099 37.816 38.000 -0.473 0.000 1.094 11 I HN 0.326 nan 8.210 nan 0.000 0.454 12 A N 0.169 122.948 122.820 -0.069 0.000 2.167 12 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 12 A C 1.545 179.359 177.584 0.384 0.000 1.151 12 A CA 1.287 53.454 52.037 0.217 0.000 0.735 12 A CB -0.656 18.455 19.000 0.185 0.000 0.802 12 A HN 0.601 nan 8.150 nan 0.000 0.467 13 N N -0.806 118.027 118.700 0.221 0.000 2.184 13 N HA 0.224 4.964 4.740 -0.000 0.000 0.206 13 N C 0.070 175.610 175.510 0.051 0.000 1.151 13 N CA -0.226 52.912 53.050 0.147 0.000 0.878 13 N CB 0.410 38.958 38.487 0.103 0.000 1.014 13 N HN 0.584 nan 8.380 nan 0.000 0.512 14 I N -1.665 118.908 120.570 0.004 0.000 3.079 14 I HA 0.219 4.389 4.170 -0.000 0.000 0.295 14 I C 0.210 176.120 176.117 -0.346 0.000 1.094 14 I CA -0.691 60.529 61.300 -0.132 0.000 1.295 14 I CB 0.329 38.261 38.000 -0.113 0.000 1.443 14 I HN -0.115 nan 8.210 nan 0.000 0.607 15 N N 2.066 120.583 118.700 -0.305 0.000 2.476 15 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 15 N C 0.447 175.716 175.510 -0.401 0.000 0.970 15 N CA -0.654 52.190 53.050 -0.342 0.000 0.938 15 N CB 1.069 39.458 38.487 -0.163 0.000 1.144 15 N HN 0.828 nan 8.380 nan 0.000 0.500 16 I N 1.466 121.640 120.570 -0.660 0.000 3.001 16 I HA -0.034 4.136 4.170 -0.000 0.000 0.268 16 I C 1.366 177.335 176.117 -0.247 0.000 1.267 16 I CA 0.789 61.675 61.300 -0.691 0.000 1.472 16 I CB -0.011 37.257 38.000 -1.220 0.000 1.089 16 I HN 0.341 nan 8.210 nan 0.000 0.468 17 K N 1.291 121.652 120.400 -0.065 0.000 2.444 17 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 17 K C 1.329 177.941 176.600 0.020 0.000 1.024 17 K CA 0.284 56.604 56.287 0.055 0.000 1.077 17 K CB 0.178 32.761 32.500 0.137 0.000 0.833 17 K HN 0.352 nan 8.250 nan 0.000 0.517 18 K N 0.633 121.024 120.400 -0.015 0.000 2.544 18 K HA 0.048 4.368 4.320 -0.000 0.000 0.213 18 K C -0.781 175.830 176.600 0.018 0.000 1.392 18 K CA -0.115 56.173 56.287 0.001 0.000 0.980 18 K CB 0.762 33.253 32.500 -0.015 0.000 1.177 18 K HN 0.044 nan 8.250 nan 0.000 0.570 19 D N 0.362 120.764 120.400 0.003 0.000 2.371 19 D HA 0.066 4.706 4.640 -0.000 0.000 0.256 19 D C 0.503 176.868 176.300 0.109 0.000 1.193 19 D CA 0.217 54.245 54.000 0.047 0.000 0.881 19 D CB 1.242 42.051 40.800 0.015 0.000 1.143 19 D HN -0.086 nan 8.370 nan 0.000 0.473 20 S N 1.225 116.990 115.700 0.109 0.000 2.428 20 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 20 S C 1.925 176.584 174.600 0.099 0.000 1.014 20 S CA 0.353 58.621 58.200 0.114 0.000 0.957 20 S CB 0.126 63.418 63.200 0.153 0.000 0.784 20 S HN 0.470 nan 8.310 nan 0.000 0.499 21 S N 1.139 116.913 115.700 0.122 0.000 2.383 21 S HA 0.016 4.485 4.470 -0.000 0.000 0.227 21 S C 1.461 176.132 174.600 0.118 0.000 1.026 21 S CA 0.660 58.925 58.200 0.109 0.000 0.981 21 S CB -0.355 62.928 63.200 0.138 0.000 0.818 21 S HN 0.534 nan 8.310 nan 0.000 0.472 22 F N 2.713 122.668 119.950 0.008 0.000 2.102 22 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 22 F C 2.414 178.205 175.800 -0.015 0.000 1.105 22 F CA 0.929 58.928 58.000 -0.002 0.000 1.239 22 F CB -0.835 38.140 39.000 -0.041 0.000 0.991 22 F HN 0.179 nan 8.300 nan 0.000 0.474 23 A N 0.163 123.018 122.820 0.058 0.000 1.940 23 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 23 A C 2.297 179.804 177.584 -0.127 0.000 1.176 23 A CA 2.025 54.038 52.037 -0.040 0.000 0.631 23 A CB -0.792 18.225 19.000 0.027 0.000 0.814 23 A HN 0.496 nan 8.150 nan 0.000 0.446 24 M N -0.747 118.787 119.600 -0.110 0.000 2.086 24 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 24 M C 2.098 178.296 176.300 -0.169 0.000 1.067 24 M CA 1.466 56.682 55.300 -0.139 0.000 1.116 24 M CB -0.527 32.004 32.600 -0.114 0.000 1.348 24 M HN 0.373 nan 8.290 nan 0.000 0.407 25 L N -0.141 120.968 121.223 -0.189 0.000 2.141 25 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 25 L C 2.336 179.032 176.870 -0.291 0.000 1.094 25 L CA 0.866 55.582 54.840 -0.207 0.000 0.763 25 L CB -0.637 41.306 42.059 -0.192 0.000 0.908 25 L HN 0.329 nan 8.230 nan 0.000 0.437 26 L N -0.346 120.638 121.223 -0.398 0.000 2.017 26 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 26 L C 2.698 179.430 176.870 -0.230 0.000 1.073 26 L CA 1.146 55.787 54.840 -0.332 0.000 0.745 26 L CB -0.388 41.476 42.059 -0.326 0.000 0.894 26 L HN 0.250 nan 8.230 nan 0.000 0.432 27 E N 0.541 120.611 120.200 -0.217 0.000 2.051 27 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 27 E C 2.108 178.523 176.600 -0.309 0.000 0.991 27 E CA 1.682 57.956 56.400 -0.210 0.000 0.799 27 E CB -0.206 29.387 29.700 -0.178 0.000 0.748 27 E HN 0.355 nan 8.360 nan 0.000 0.449 28 A N 0.552 123.147 122.820 -0.374 0.000 1.908 28 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 28 A C 2.280 179.569 177.584 -0.492 0.000 1.181 28 A CA 2.066 53.714 52.037 -0.647 0.000 0.627 28 A CB -0.837 17.959 19.000 -0.340 0.000 0.818 28 A HN 0.472 nan 8.150 nan 0.000 0.445 29 Q N -0.815 118.829 119.800 -0.260 0.000 2.124 29 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 29 Q C 2.313 178.226 176.000 -0.144 0.000 0.977 29 Q CA 1.487 57.196 55.803 -0.158 0.000 0.850 29 Q CB -0.132 28.529 28.738 -0.129 0.000 0.901 29 Q HN 0.672 nan 8.270 nan 0.000 0.429 30 R N 0.036 120.435 120.500 -0.167 0.000 2.148 30 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 30 R C 1.510 177.741 176.300 -0.114 0.000 1.103 30 R CA 1.006 57.034 56.100 -0.121 0.000 0.983 30 R CB 0.138 30.368 30.300 -0.116 0.000 0.874 30 R HN 0.185 nan 8.270 nan 0.000 0.451 31 R N -0.783 119.603 120.500 -0.190 0.000 2.310 31 R HA 0.091 4.431 4.340 -0.000 0.000 0.202 31 R C 0.662 176.949 176.300 -0.021 0.000 0.933 31 R CA 0.570 56.590 56.100 -0.134 0.000 1.054 31 R CB 0.558 30.704 30.300 -0.257 0.000 0.985 31 R HN 0.413 nan 8.270 nan 0.000 0.489 32 G N 0.899 109.683 108.800 -0.027 0.000 2.160 32 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.244 32 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.244 32 G C -0.274 174.737 174.900 0.185 0.000 1.022 32 G CA -0.218 44.918 45.100 0.060 0.000 0.741 32 G HN 0.174 nan 8.290 nan 0.000 0.508 33 Y N 0.174 120.471 120.300 -0.005 0.000 2.301 33 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 33 Y C 0.935 176.841 175.900 0.010 0.000 1.242 33 Y CA -1.738 56.366 58.100 0.007 0.000 1.323 33 Y CB 0.662 39.127 38.460 0.008 0.000 1.266 33 Y HN 0.384 nan 8.280 nan 0.000 0.527 34 E N 2.590 122.910 120.200 0.201 0.000 2.229 34 E HA 0.373 4.723 4.350 -0.000 0.000 0.283 34 E C -1.432 175.252 176.600 0.140 0.000 1.030 34 E CA -0.362 56.110 56.400 0.119 0.000 0.836 34 E CB 0.433 30.201 29.700 0.114 0.000 1.068 34 E HN 0.531 nan 8.360 nan 0.000 0.401 35 L N 4.915 126.169 121.223 0.050 0.000 2.309 35 L HA 0.386 4.726 4.340 -0.000 0.000 0.282 35 L C -0.053 176.790 176.870 -0.045 0.000 1.036 35 L CA -0.745 54.143 54.840 0.079 0.000 0.806 35 L CB 1.206 43.309 42.059 0.073 0.000 1.220 35 L HN 0.521 nan 8.230 nan 0.000 0.429 36 H N 2.703 121.837 119.070 0.106 0.000 2.708 36 H HA 0.168 4.724 4.556 -0.000 0.000 0.320 36 H C -1.322 174.079 175.328 0.123 0.000 0.991 36 H CA -0.551 55.551 56.048 0.091 0.000 1.243 36 H CB 1.934 31.711 29.762 0.026 0.000 1.446 36 H HN 0.470 nan 8.280 nan 0.000 0.502 37 Y N 4.224 124.586 120.300 0.105 0.000 2.359 37 Y HA 0.321 4.871 4.550 -0.000 0.000 0.334 37 Y C -0.758 175.154 175.900 0.020 0.000 1.058 37 Y CA -0.234 57.920 58.100 0.090 0.000 1.244 37 Y CB 0.538 39.112 38.460 0.190 0.000 1.187 37 Y HN 0.523 nan 8.280 nan 0.000 0.510 38 M N 5.238 124.449 119.600 -0.648 0.000 2.446 38 M HA 0.367 4.847 4.480 -0.000 0.000 0.294 38 M C -0.991 174.940 176.300 -0.615 0.000 1.158 38 M CA -0.572 54.418 55.300 -0.517 0.000 0.899 38 M CB 2.669 35.134 32.600 -0.225 0.000 1.687 38 M HN 0.587 nan 8.290 nan 0.000 0.455 39 E N 1.482 121.443 120.200 -0.398 0.000 2.243 39 E HA 0.413 4.763 4.350 -0.000 0.000 0.260 39 E C 0.449 176.969 176.600 -0.133 0.000 0.985 39 E CA -0.810 55.455 56.400 -0.226 0.000 0.858 39 E CB 1.388 31.022 29.700 -0.111 0.000 1.210 39 E HN 0.654 nan 8.360 nan 0.000 0.411 40 M N 0.447 119.983 119.600 -0.107 0.000 2.089 40 M HA -0.145 4.335 4.480 -0.000 0.000 0.257 40 M C 1.946 178.220 176.300 -0.044 0.000 1.071 40 M CA 1.959 57.203 55.300 -0.093 0.000 1.096 40 M CB -1.295 31.249 32.600 -0.095 0.000 1.330 40 M HN 0.808 nan 8.290 nan 0.000 0.403 41 G N -0.411 108.376 108.800 -0.022 0.000 2.625 41 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 41 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 41 G C 1.023 175.940 174.900 0.028 0.000 1.132 41 G CA 0.515 45.616 45.100 0.002 0.000 0.782 41 G HN 0.440 nan 8.290 nan 0.000 0.538 42 D N 0.016 120.437 120.400 0.034 0.000 2.347 42 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 42 D C 1.062 177.451 176.300 0.148 0.000 0.985 42 D CA 0.104 54.166 54.000 0.103 0.000 0.879 42 D CB 0.398 41.252 40.800 0.090 0.000 0.919 42 D HN 0.257 nan 8.370 nan 0.000 0.526 43 L N 1.301 122.573 121.223 0.082 0.000 2.326 43 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 43 L C -0.247 176.720 176.870 0.161 0.000 1.092 43 L CA -0.588 54.286 54.840 0.056 0.000 0.810 43 L CB 0.452 42.504 42.059 -0.013 0.000 1.153 43 L HN 0.014 nan 8.230 nan 0.000 0.439 44 Y N 2.144 122.435 120.300 -0.014 0.000 2.705 44 Y HA 0.767 5.317 4.550 -0.001 0.000 0.332 44 Y C -1.860 174.035 175.900 -0.009 0.000 1.221 44 Y CA -1.570 56.522 58.100 -0.013 0.000 1.059 44 Y CB 1.460 39.911 38.460 -0.015 0.000 1.298 44 Y HN 0.301 nan 8.280 nan 0.000 0.459 45 L N 2.805 124.103 121.223 0.124 0.000 2.406 45 L HA 0.662 5.002 4.340 -0.000 0.000 0.272 45 L C -1.789 175.150 176.870 0.114 0.000 0.980 45 L CA -0.705 54.141 54.840 0.009 0.000 0.831 45 L CB 1.692 43.764 42.059 0.021 0.000 1.253 45 L HN 0.726 nan 8.230 nan 0.000 0.406 46 I N 4.910 125.522 120.570 0.070 0.000 2.410 46 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 46 I C -0.414 175.726 176.117 0.039 0.000 1.009 46 I CA 0.050 61.418 61.300 0.112 0.000 1.111 46 I CB 0.965 39.092 38.000 0.211 0.000 1.262 46 I HN 0.670 nan 8.210 nan 0.000 0.443 47 N N 6.135 124.852 118.700 0.028 0.000 2.678 47 N HA -0.226 4.513 4.740 -0.000 0.000 0.268 47 N C 1.062 176.570 175.510 -0.003 0.000 1.010 47 N CA 1.301 54.356 53.050 0.008 0.000 0.784 47 N CB -1.012 37.480 38.487 0.007 0.000 0.905 47 N HN 1.283 nan 8.380 nan 0.000 0.552 48 G N -0.567 108.228 108.800 -0.008 0.000 2.304 48 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.252 48 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.252 48 G C -0.087 174.797 174.900 -0.026 0.000 1.014 48 G CA 0.684 45.775 45.100 -0.016 0.000 0.619 48 G HN 0.664 nan 8.290 nan 0.000 0.525 49 E N 1.286 121.464 120.200 -0.036 0.000 2.229 49 E HA 0.593 4.943 4.350 -0.000 0.000 0.283 49 E C 0.551 177.080 176.600 -0.118 0.000 1.030 49 E CA -0.060 56.301 56.400 -0.065 0.000 0.836 49 E CB 0.726 30.390 29.700 -0.061 0.000 1.068 49 E HN 0.688 nan 8.360 nan 0.000 0.401 50 A N 5.844 128.589 122.820 -0.124 0.000 2.404 50 A HA 0.349 4.669 4.320 -0.000 0.000 0.273 50 A C -0.264 177.164 177.584 -0.260 0.000 1.144 50 A CA -0.123 51.811 52.037 -0.173 0.000 0.806 50 A CB 0.332 19.269 19.000 -0.105 0.000 1.080 50 A HN 0.712 nan 8.150 nan 0.000 0.509 51 R N 0.743 120.965 120.500 -0.464 0.000 2.855 51 R HA 0.847 5.187 4.340 -0.000 0.000 0.266 51 R C -0.952 175.036 176.300 -0.519 0.000 1.034 51 R CA -0.553 55.221 56.100 -0.543 0.000 0.944 51 R CB 2.493 32.312 30.300 -0.801 0.000 1.219 51 R HN 0.967 nan 8.270 nan 0.000 0.474 52 A N 0.234 122.908 122.820 -0.243 0.000 2.608 52 A HA 0.285 4.605 4.320 -0.000 0.000 0.292 52 A C -1.781 175.873 177.584 0.117 0.000 1.066 52 A CA -0.723 51.307 52.037 -0.011 0.000 0.676 52 A CB 1.506 20.478 19.000 -0.047 0.000 1.277 52 A HN 0.808 nan 8.150 nan 0.000 0.413 53 H N 1.834 120.966 119.070 0.104 0.000 2.782 53 H HA 0.502 5.057 4.556 -0.001 0.000 0.285 53 H C -0.181 175.157 175.328 0.017 0.000 1.093 53 H CA 1.089 57.176 56.048 0.064 0.000 1.410 53 H CB 0.591 30.385 29.762 0.053 0.000 1.439 53 H HN 0.853 nan 8.280 nan 0.000 0.469 54 T N 2.871 117.214 114.554 -0.352 0.000 2.950 54 T HA 0.564 4.913 4.350 -0.000 0.000 0.288 54 T C 0.007 174.493 174.700 -0.357 0.000 1.035 54 T CA -1.128 60.827 62.100 -0.241 0.000 1.028 54 T CB 2.145 71.052 68.868 0.065 0.000 1.109 54 T HN 0.633 nan 8.240 nan 0.000 0.514 55 R N 0.675 121.050 120.500 -0.210 0.000 2.562 55 R HA 0.507 4.846 4.340 -0.000 0.000 0.298 55 R C -0.534 175.756 176.300 -0.017 0.000 0.961 55 R CA -0.732 55.242 56.100 -0.211 0.000 0.881 55 R CB 1.867 31.802 30.300 -0.609 0.000 1.159 55 R HN 0.730 nan 8.270 nan 0.000 0.450 56 T N 3.848 118.374 114.554 -0.046 0.000 2.834 56 T HA 0.173 4.522 4.350 -0.000 0.000 0.298 56 T C -0.229 174.531 174.700 0.101 0.000 0.966 56 T CA -0.180 61.843 62.100 -0.129 0.000 1.141 56 T CB 0.417 69.195 68.868 -0.150 0.000 0.905 56 T HN 0.195 nan 8.240 nan 0.000 0.535 57 L N 3.736 125.016 121.223 0.095 0.000 2.334 57 L HA 0.685 5.024 4.340 -0.000 0.000 0.273 57 L C -0.373 176.538 176.870 0.068 0.000 1.013 57 L CA -0.593 54.354 54.840 0.179 0.000 0.816 57 L CB 1.880 44.077 42.059 0.231 0.000 1.278 57 L HN 0.648 nan 8.230 nan 0.000 0.431 58 N N 2.922 121.647 118.700 0.042 0.000 2.346 58 N HA 0.676 5.415 4.740 -0.000 0.000 0.289 58 N C -1.607 173.913 175.510 0.017 0.000 1.027 58 N CA -0.617 52.435 53.050 0.003 0.000 0.864 58 N CB 1.751 40.224 38.487 -0.023 0.000 1.370 58 N HN 0.487 nan 8.380 nan 0.000 0.481 59 V N 0.684 120.608 119.914 0.016 0.000 2.769 59 V HA 0.780 4.900 4.120 -0.000 0.000 0.312 59 V C -0.795 175.346 176.094 0.079 0.000 1.061 59 V CA -0.841 61.515 62.300 0.092 0.000 0.931 59 V CB 1.559 33.329 31.823 -0.088 0.000 1.010 59 V HN 0.818 nan 8.190 nan 0.000 0.433 60 K N 1.900 122.446 120.400 0.244 0.000 2.527 60 K HA 0.510 4.830 4.320 -0.000 0.000 0.260 60 K C -1.168 175.609 176.600 0.295 0.000 0.937 60 K CA -0.895 55.494 56.287 0.170 0.000 0.826 60 K CB 2.499 35.041 32.500 0.071 0.000 1.359 60 K HN 0.524 nan 8.250 nan 0.000 0.434 61 Q N 2.120 122.037 119.800 0.194 0.000 2.613 61 Q HA 0.128 4.467 4.340 -0.000 0.000 0.228 61 Q C -1.419 174.567 176.000 -0.023 0.000 1.318 61 Q CA 0.629 56.497 55.803 0.108 0.000 0.907 61 Q CB -0.491 28.302 28.738 0.091 0.000 1.593 61 Q HN 0.659 nan 8.270 nan 0.000 0.559 62 N N 1.589 120.246 118.700 -0.072 0.000 2.519 62 N HA 0.151 4.890 4.740 -0.000 0.000 0.291 62 N C -0.763 174.733 175.510 -0.023 0.000 1.107 62 N CA -0.388 52.656 53.050 -0.009 0.000 0.904 62 N CB 0.580 39.100 38.487 0.054 0.000 1.500 62 N HN 0.295 nan 8.380 nan 0.000 0.510 63 Y N 1.255 121.639 120.300 0.141 0.000 2.616 63 Y HA 0.041 4.591 4.550 -0.000 0.000 0.296 63 Y C 1.465 177.535 175.900 0.283 0.000 1.154 63 Y CA 0.444 58.641 58.100 0.162 0.000 1.325 63 Y CB 0.303 38.784 38.460 0.035 0.000 1.007 63 Y HN 0.604 nan 8.280 nan 0.000 0.542 64 E N -0.009 120.360 120.200 0.282 0.000 2.201 64 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 64 E C 0.255 176.859 176.600 0.006 0.000 0.957 64 E CA 0.421 56.915 56.400 0.158 0.000 0.858 64 E CB 0.508 30.247 29.700 0.064 0.000 0.816 64 E HN 0.359 nan 8.360 nan 0.000 0.475 65 E N -0.030 120.154 120.200 -0.026 0.000 2.542 65 E HA 0.114 4.464 4.350 -0.000 0.000 0.298 65 E C -0.884 175.618 176.600 -0.164 0.000 0.980 65 E CA -0.260 55.952 56.400 -0.313 0.000 0.792 65 E CB 0.470 29.986 29.700 -0.305 0.000 1.463 65 E HN 0.133 nan 8.360 nan 0.000 0.389 66 W N 4.998 126.231 121.300 -0.113 0.000 3.278 66 W HA 0.308 4.968 4.660 -0.000 0.000 0.308 66 W C -0.125 176.513 176.519 0.199 0.000 1.253 66 W CA -0.454 56.894 57.345 0.004 0.000 1.759 66 W CB 0.047 29.373 29.460 -0.223 0.000 1.093 66 W HN 0.180 nan 8.180 nan 0.000 0.648 67 F N -0.287 119.429 119.950 -0.389 0.000 2.668 67 F HA 0.850 5.377 4.527 -0.001 0.000 0.309 67 F C -0.741 174.764 175.800 -0.491 0.000 1.117 67 F CA -2.291 55.501 58.000 -0.348 0.000 0.951 67 F CB 1.053 39.805 39.000 -0.414 0.000 1.323 67 F HN -0.282 nan 8.300 nan 0.000 0.451 68 S N 1.205 116.622 115.700 -0.471 0.000 2.536 68 S HA 0.693 5.162 4.470 -0.000 0.000 0.271 68 S C -1.836 172.574 174.600 -0.316 0.000 1.134 68 S CA -0.503 57.390 58.200 -0.512 0.000 0.897 68 S CB 1.426 64.458 63.200 -0.280 0.000 1.094 68 S HN 0.496 nan 8.310 nan 0.000 0.473 69 F N 1.938 121.868 119.950 -0.035 0.000 2.420 69 F HA 0.432 4.959 4.527 -0.000 0.000 0.342 69 F C 1.165 176.955 175.800 -0.016 0.000 1.113 69 F CA -1.150 56.858 58.000 0.013 0.000 1.059 69 F CB 1.475 40.505 39.000 0.050 0.000 1.128 69 F HN 0.400 nan 8.300 nan 0.000 0.475 70 V N 0.094 120.126 119.914 0.196 0.000 3.380 70 V HA 0.795 4.915 4.120 -0.000 0.000 0.307 70 V C 0.347 176.479 176.094 0.063 0.000 1.434 70 V CA 0.270 62.622 62.300 0.086 0.000 1.075 70 V CB 0.073 31.919 31.823 0.039 0.000 0.954 70 V HN 0.851 nan 8.190 nan 0.000 0.444 71 G N -0.178 108.666 108.800 0.074 0.000 2.489 71 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 71 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 71 G C -2.028 172.879 174.900 0.010 0.000 1.487 71 G CA -0.362 44.760 45.100 0.037 0.000 0.795 71 G HN 0.302 nan 8.290 nan 0.000 0.513 72 E N -0.239 119.964 120.200 0.006 0.000 2.308 72 E HA 0.605 4.954 4.350 -0.000 0.000 0.275 72 E C -0.937 175.667 176.600 0.007 0.000 0.890 72 E CA -0.713 55.670 56.400 -0.028 0.000 0.754 72 E CB 1.805 31.526 29.700 0.035 0.000 1.207 72 E HN 0.659 nan 8.360 nan 0.000 0.426 73 Q N 2.547 122.334 119.800 -0.022 0.000 2.527 73 Q HA 0.284 4.623 4.340 -0.000 0.000 0.280 73 Q C -1.728 174.300 176.000 0.046 0.000 0.977 73 Q CA -0.909 54.917 55.803 0.038 0.000 0.837 73 Q CB 1.411 30.181 28.738 0.053 0.000 1.454 73 Q HN 0.551 nan 8.270 nan 0.000 0.387 74 D N 1.819 122.273 120.400 0.090 0.000 2.427 74 D HA 0.502 5.142 4.640 -0.000 0.000 0.226 74 D C -0.817 175.517 176.300 0.056 0.000 1.076 74 D CA -0.400 53.671 54.000 0.118 0.000 0.849 74 D CB 0.416 41.314 40.800 0.162 0.000 1.052 74 D HN 0.452 nan 8.370 nan 0.000 0.515 75 L N 2.139 123.363 121.223 0.003 0.000 2.279 75 L HA 0.821 5.160 4.340 -0.000 0.000 0.262 75 L C -2.702 174.117 176.870 -0.085 0.000 1.019 75 L CA -2.545 52.269 54.840 -0.043 0.000 0.823 75 L CB 0.548 42.558 42.059 -0.081 0.000 1.358 75 L HN 0.106 nan 8.230 nan 0.000 0.432 76 P HA 0.225 nan 4.420 nan 0.000 0.281 76 P C 0.675 177.901 177.300 -0.124 0.000 1.252 76 P CA -0.253 62.777 63.100 -0.116 0.000 0.778 76 P CB 1.253 32.901 31.700 -0.086 0.000 0.895 77 L N 2.630 123.771 121.223 -0.137 0.000 2.261 77 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 77 L C 2.360 179.169 176.870 -0.102 0.000 1.114 77 L CA 1.653 56.419 54.840 -0.124 0.000 0.777 77 L CB -0.832 41.157 42.059 -0.116 0.000 0.910 77 L HN 0.401 nan 8.230 nan 0.000 0.440 78 A N -0.701 122.066 122.820 -0.088 0.000 2.172 78 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 78 A C 1.574 179.114 177.584 -0.073 0.000 1.154 78 A CA 1.350 53.345 52.037 -0.070 0.000 0.701 78 A CB -0.338 18.627 19.000 -0.058 0.000 0.789 78 A HN 0.305 nan 8.150 nan 0.000 0.465 79 D N -0.516 119.830 120.400 -0.091 0.000 2.355 79 D HA 0.146 4.785 4.640 -0.000 0.000 0.218 79 D C 0.381 176.611 176.300 -0.118 0.000 1.004 79 D CA 0.327 54.270 54.000 -0.095 0.000 0.880 79 D CB 0.041 40.779 40.800 -0.103 0.000 0.911 79 D HN 0.397 nan 8.370 nan 0.000 0.528 80 L N 0.779 121.926 121.223 -0.127 0.000 2.357 80 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 80 L C 1.145 177.964 176.870 -0.085 0.000 1.080 80 L CA -0.627 54.140 54.840 -0.122 0.000 0.803 80 L CB 1.419 43.400 42.059 -0.131 0.000 1.174 80 L HN -0.248 nan 8.230 nan 0.000 0.443 81 D N 0.798 121.149 120.400 -0.083 0.000 2.137 81 D HA 0.009 4.649 4.640 -0.000 0.000 0.202 81 D C 0.216 176.476 176.300 -0.067 0.000 0.970 81 D CA 1.215 55.166 54.000 -0.081 0.000 0.837 81 D CB 0.731 41.462 40.800 -0.115 0.000 0.981 81 D HN 0.190 nan 8.370 nan 0.000 0.475 82 V N 0.257 120.136 119.914 -0.058 0.000 3.012 82 V HA 0.445 4.565 4.120 -0.000 0.000 0.307 82 V C -1.824 174.265 176.094 -0.008 0.000 1.166 82 V CA -0.785 61.498 62.300 -0.029 0.000 0.974 82 V CB 2.491 34.299 31.823 -0.025 0.000 1.040 82 V HN -0.108 nan 8.190 nan 0.000 0.428 83 I N 6.229 126.799 120.570 0.000 0.000 2.478 83 I HA 0.434 4.603 4.170 -0.000 0.000 0.287 83 I C -0.739 175.391 176.117 0.022 0.000 1.042 83 I CA -0.559 60.745 61.300 0.007 0.000 1.067 83 I CB 2.007 39.999 38.000 -0.014 0.000 1.233 83 I HN 0.417 nan 8.210 nan 0.000 0.431 84 L N 6.451 127.694 121.223 0.034 0.000 2.295 84 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 84 L C 0.074 176.969 176.870 0.041 0.000 1.079 84 L CA -0.367 54.500 54.840 0.045 0.000 0.830 84 L CB 0.711 42.798 42.059 0.046 0.000 1.200 84 L HN 0.569 nan 8.230 nan 0.000 0.438 85 M N 4.674 124.306 119.600 0.054 0.000 2.264 85 M HA 0.153 4.633 4.480 -0.000 0.000 0.340 85 M C 0.247 176.607 176.300 0.100 0.000 1.420 85 M CA 0.571 55.900 55.300 0.048 0.000 1.254 85 M CB -0.189 32.454 32.600 0.072 0.000 1.575 85 M HN 0.315 nan 8.290 nan 0.000 0.452 86 R N 2.698 123.244 120.500 0.077 0.000 2.629 86 R HA 0.199 4.538 4.340 -0.000 0.000 0.386 86 R C -0.325 176.044 176.300 0.115 0.000 1.071 86 R CA -0.432 55.738 56.100 0.118 0.000 1.104 86 R CB -0.110 30.253 30.300 0.105 0.000 1.370 86 R HN 0.460 nan 8.270 nan 0.000 0.574 87 K N 1.985 122.434 120.400 0.081 0.000 2.448 87 K HA -0.004 4.316 4.320 -0.000 0.000 0.278 87 K C -0.332 176.411 176.600 0.239 0.000 1.009 87 K CA 0.264 56.587 56.287 0.060 0.000 0.995 87 K CB 0.315 32.688 32.500 -0.211 0.000 0.917 87 K HN -0.097 nan 8.250 nan 0.000 0.481 88 D N 5.118 125.632 120.400 0.190 0.000 2.339 88 D HA 0.176 4.816 4.640 -0.000 0.000 0.245 88 D C -2.104 174.364 176.300 0.279 0.000 1.115 88 D CA -1.328 52.797 54.000 0.208 0.000 0.917 88 D CB 0.519 41.398 40.800 0.132 0.000 1.192 88 D HN 0.468 nan 8.370 nan 0.000 0.428 89 P HA 0.106 nan 4.420 nan 0.000 0.269 89 P C -2.379 175.002 177.300 0.136 0.000 1.217 89 P CA -0.737 62.461 63.100 0.164 0.000 0.783 89 P CB -0.594 31.157 31.700 0.085 0.000 0.898 90 P HA 0.284 nan 4.420 nan 0.000 0.276 90 P C -0.946 176.421 177.300 0.112 0.000 1.252 90 P CA -0.272 62.890 63.100 0.103 0.000 0.802 90 P CB 0.297 32.042 31.700 0.076 0.000 1.035 91 F N 2.426 122.294 119.950 -0.136 0.000 2.335 91 F HA 0.247 4.774 4.527 -0.000 0.000 0.365 91 F C 0.037 175.762 175.800 -0.126 0.000 1.122 91 F CA -0.256 57.566 58.000 -0.296 0.000 1.151 91 F CB -0.141 38.623 39.000 -0.394 0.000 1.282 91 F HN 0.256 nan 8.300 nan 0.000 0.513 92 D N 0.887 121.122 120.400 -0.276 0.000 2.689 92 D HA 0.227 4.867 4.640 -0.000 0.000 0.255 92 D C 0.979 177.087 176.300 -0.320 0.000 1.113 92 D CA -0.118 53.776 54.000 -0.177 0.000 1.115 92 D CB 0.225 40.991 40.800 -0.056 0.000 1.334 92 D HN 0.276 nan 8.370 nan 0.000 0.621 93 T N -2.678 111.724 114.554 -0.253 0.000 2.867 93 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 93 T C 1.264 175.609 174.700 -0.592 0.000 1.057 93 T CA 0.813 62.638 62.100 -0.460 0.000 1.136 93 T CB -0.250 68.438 68.868 -0.300 0.000 0.874 93 T HN 0.279 nan 8.240 nan 0.000 0.466 94 E N 0.512 120.586 120.200 -0.209 0.000 2.153 94 E HA -0.004 4.345 4.350 -0.000 0.000 0.194 94 E C 1.634 178.168 176.600 -0.111 0.000 0.988 94 E CA 0.667 57.044 56.400 -0.039 0.000 0.811 94 E CB -0.455 29.264 29.700 0.031 0.000 0.746 94 E HN 0.576 nan 8.360 nan 0.000 0.466 95 F N 0.718 120.445 119.950 -0.373 0.000 2.234 95 F HA -0.005 4.522 4.527 -0.000 0.000 0.296 95 F C 2.154 177.604 175.800 -0.584 0.000 1.089 95 F CA 0.534 58.262 58.000 -0.452 0.000 1.343 95 F CB -0.182 38.426 39.000 -0.652 0.000 1.040 95 F HN -0.096 nan 8.300 nan 0.000 0.498 96 I N -1.087 119.187 120.570 -0.493 0.000 2.286 96 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 96 I C 1.976 177.738 176.117 -0.591 0.000 1.115 96 I CA 1.106 62.060 61.300 -0.576 0.000 1.392 96 I CB -0.518 37.130 38.000 -0.587 0.000 1.065 96 I HN 0.079 nan 8.210 nan 0.000 0.418 97 Y N 0.494 120.680 120.300 -0.190 0.000 2.242 97 Y HA -0.152 4.397 4.550 -0.000 0.000 0.291 97 Y C 2.593 178.463 175.900 -0.050 0.000 1.137 97 Y CA 0.708 58.802 58.100 -0.009 0.000 1.181 97 Y CB -1.228 37.267 38.460 0.058 0.000 0.989 97 Y HN 0.113 nan 8.280 nan 0.000 0.527 98 A N -0.939 121.886 122.820 0.007 0.000 1.969 98 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 98 A C 2.352 179.891 177.584 -0.074 0.000 1.169 98 A CA 2.041 54.041 52.037 -0.063 0.000 0.635 98 A CB -1.155 17.720 19.000 -0.208 0.000 0.810 98 A HN 0.393 nan 8.150 nan 0.000 0.445 99 T N -1.213 113.268 114.554 -0.121 0.000 2.833 99 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 99 T C 1.580 176.248 174.700 -0.052 0.000 1.054 99 T CA 1.669 63.714 62.100 -0.091 0.000 1.135 99 T CB -0.399 68.397 68.868 -0.120 0.000 0.869 99 T HN 0.600 nan 8.240 nan 0.000 0.466 100 Y N 0.650 120.988 120.300 0.063 0.000 2.314 100 Y HA 0.171 4.721 4.550 -0.000 0.000 0.293 100 Y C 2.083 177.998 175.900 0.026 0.000 1.129 100 Y CA -0.234 57.899 58.100 0.055 0.000 1.201 100 Y CB -0.582 37.929 38.460 0.085 0.000 0.999 100 Y HN 0.248 nan 8.280 nan 0.000 0.541 101 I N -0.628 120.034 120.570 0.154 0.000 2.202 101 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 101 I C 2.058 178.186 176.117 0.018 0.000 1.091 101 I CA 1.238 62.574 61.300 0.060 0.000 1.368 101 I CB -0.503 37.514 38.000 0.027 0.000 1.058 101 I HN 0.152 nan 8.210 nan 0.000 0.410 102 L N 0.313 121.542 121.223 0.010 0.000 2.083 102 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 102 L C 2.523 179.402 176.870 0.015 0.000 1.083 102 L CA 1.390 56.228 54.840 -0.004 0.000 0.752 102 L CB -0.603 41.451 42.059 -0.009 0.000 0.899 102 L HN 0.315 nan 8.230 nan 0.000 0.433 103 E N 0.074 120.302 120.200 0.046 0.000 2.204 103 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 103 E C 2.326 178.949 176.600 0.039 0.000 0.989 103 E CA 0.577 57.010 56.400 0.055 0.000 0.824 103 E CB 0.230 29.991 29.700 0.103 0.000 0.756 103 E HN 0.341 nan 8.360 nan 0.000 0.477 104 R N -0.284 120.235 120.500 0.032 0.000 2.093 104 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 104 R C 2.242 178.535 176.300 -0.013 0.000 1.101 104 R CA 0.898 57.003 56.100 0.008 0.000 0.979 104 R CB -0.228 30.072 30.300 0.001 0.000 0.877 104 R HN 0.131 nan 8.270 nan 0.000 0.441 105 A N 1.307 124.113 122.820 -0.023 0.000 1.930 105 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 105 A C 2.048 179.617 177.584 -0.024 0.000 1.175 105 A CA 1.345 53.361 52.037 -0.036 0.000 0.627 105 A CB -0.345 18.626 19.000 -0.047 0.000 0.815 105 A HN 0.376 nan 8.150 nan 0.000 0.443 106 E N -0.060 120.134 120.200 -0.011 0.000 2.106 106 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 106 E C 1.795 178.392 176.600 -0.004 0.000 0.984 106 E CA 1.293 57.690 56.400 -0.005 0.000 0.806 106 E CB -0.117 29.587 29.700 0.007 0.000 0.750 106 E HN 0.751 nan 8.360 nan 0.000 0.458 107 E N 0.179 120.378 120.200 -0.001 0.000 2.204 107 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 107 E C 1.514 178.108 176.600 -0.009 0.000 0.989 107 E CA 0.734 57.133 56.400 -0.002 0.000 0.824 107 E CB 0.130 29.831 29.700 0.001 0.000 0.756 107 E HN 0.090 nan 8.360 nan 0.000 0.477 108 K N -0.834 119.556 120.400 -0.016 0.000 2.458 108 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 108 K C 0.772 177.358 176.600 -0.024 0.000 1.024 108 K CA 0.440 56.714 56.287 -0.021 0.000 1.108 108 K CB 0.936 33.418 32.500 -0.029 0.000 0.846 108 K HN 0.242 nan 8.250 nan 0.000 0.518 109 G N 0.435 109.223 108.800 -0.021 0.000 2.380 109 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 109 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 109 G C 0.274 175.158 174.900 -0.026 0.000 1.001 109 G CA -0.466 44.620 45.100 -0.023 0.000 0.668 109 G HN 0.257 nan 8.290 nan 0.000 0.483 110 T N 2.220 116.756 114.554 -0.031 0.000 2.916 110 T HA 0.448 4.798 4.350 -0.000 0.000 0.303 110 T C 0.284 174.971 174.700 -0.021 0.000 1.025 110 T CA 0.151 62.231 62.100 -0.033 0.000 1.142 110 T CB 1.901 70.745 68.868 -0.041 0.000 0.947 110 T HN 0.591 nan 8.240 nan 0.000 0.544 111 L N 4.959 126.170 121.223 -0.020 0.000 2.331 111 L HA 0.382 4.721 4.340 -0.000 0.000 0.278 111 L C -0.733 176.137 176.870 -0.000 0.000 1.106 111 L CA -0.077 54.759 54.840 -0.007 0.000 0.824 111 L CB 0.182 42.237 42.059 -0.007 0.000 1.142 111 L HN 0.471 nan 8.230 nan 0.000 0.443 112 I N 6.685 127.262 120.570 0.010 0.000 2.382 112 I HA 0.274 4.443 4.170 -0.000 0.000 0.286 112 I C -0.530 175.607 176.117 0.034 0.000 1.002 112 I CA -0.544 60.767 61.300 0.019 0.000 1.135 112 I CB 1.500 39.511 38.000 0.018 0.000 1.288 112 I HN 0.214 nan 8.210 nan 0.000 0.448 113 V N 7.419 127.361 119.914 0.045 0.000 2.333 113 V HA 0.342 4.462 4.120 -0.000 0.000 0.274 113 V C 0.363 176.509 176.094 0.087 0.000 1.028 113 V CA -0.591 61.749 62.300 0.067 0.000 0.851 113 V CB 0.812 32.675 31.823 0.067 0.000 1.000 113 V HN 0.712 nan 8.190 nan 0.000 0.456 114 N N 2.824 121.582 118.700 0.096 0.000 2.476 114 N HA 0.389 5.129 4.740 -0.000 0.000 0.276 114 N C -0.214 175.327 175.510 0.052 0.000 1.204 114 N CA -0.960 52.133 53.050 0.071 0.000 0.974 114 N CB 1.240 39.763 38.487 0.060 0.000 1.204 114 N HN 0.564 nan 8.380 nan 0.000 0.543 115 K N 1.202 121.619 120.400 0.028 0.000 2.447 115 K HA 0.056 4.375 4.320 -0.000 0.000 0.281 115 K C -1.892 174.719 176.600 0.018 0.000 1.031 115 K CA -1.195 55.104 56.287 0.019 0.000 1.019 115 K CB 0.695 33.198 32.500 0.004 0.000 0.918 115 K HN 0.256 nan 8.250 nan 0.000 0.476 116 P HA -0.206 nan 4.420 nan 0.000 0.216 116 P C 0.856 178.169 177.300 0.022 0.000 1.150 116 P CA 1.116 64.242 63.100 0.044 0.000 0.837 116 P CB 0.165 31.890 31.700 0.041 0.000 0.786 117 Q N -0.491 119.315 119.800 0.009 0.000 2.046 117 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 117 Q C 1.978 177.939 176.000 -0.065 0.000 0.975 117 Q CA 1.758 57.558 55.803 -0.006 0.000 0.836 117 Q CB -0.395 28.342 28.738 -0.001 0.000 0.896 117 Q HN 0.103 nan 8.270 nan 0.000 0.428 118 S N 0.593 116.239 115.700 -0.089 0.000 2.447 118 S HA -0.048 4.421 4.470 -0.000 0.000 0.233 118 S C 1.787 176.244 174.600 -0.238 0.000 1.006 118 S CA 0.606 58.698 58.200 -0.180 0.000 0.957 118 S CB -0.075 63.041 63.200 -0.141 0.000 0.773 118 S HN 0.345 nan 8.310 nan 0.000 0.507 119 L N 0.690 121.832 121.223 -0.135 0.000 2.109 119 L HA -0.015 4.324 4.340 -0.000 0.000 0.207 119 L C 2.643 179.367 176.870 -0.243 0.000 1.086 119 L CA 1.079 55.821 54.840 -0.164 0.000 0.760 119 L CB -0.334 41.780 42.059 0.093 0.000 0.910 119 L HN 0.203 nan 8.230 nan 0.000 0.437 120 R N -0.234 120.237 120.500 -0.049 0.000 2.115 120 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 120 R C 1.715 177.917 176.300 -0.163 0.000 1.100 120 R CA 1.098 57.198 56.100 -0.001 0.000 0.980 120 R CB -0.173 30.147 30.300 0.032 0.000 0.875 120 R HN 0.326 nan 8.270 nan 0.000 0.445 121 D N -0.155 120.096 120.400 -0.249 0.000 2.183 121 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 121 D C 0.249 176.189 176.300 -0.600 0.000 0.969 121 D CA 0.850 54.637 54.000 -0.355 0.000 0.842 121 D CB 0.127 40.712 40.800 -0.358 0.000 0.957 121 D HN 0.157 nan 8.370 nan 0.000 0.484 122 C N 2.486 121.345 119.300 -0.734 0.000 2.288 122 C HA 0.259 4.718 4.460 -0.000 0.000 0.328 122 C C 0.446 175.050 174.990 -0.644 0.000 1.071 122 C CA -1.810 56.587 59.018 -1.035 0.000 1.594 122 C CB -1.291 25.627 27.740 -1.369 0.000 1.700 122 C HN 0.190 nan 8.230 nan 0.000 0.436 123 N N 1.927 120.365 118.700 -0.437 0.000 2.492 123 N HA -0.024 4.716 4.740 -0.000 0.000 0.262 123 N C 1.120 176.528 175.510 -0.170 0.000 1.202 123 N CA 0.211 53.052 53.050 -0.347 0.000 0.926 123 N CB 0.865 39.242 38.487 -0.183 0.000 1.078 123 N HN 0.518 nan 8.380 nan 0.000 0.454 124 E N 4.171 124.258 120.200 -0.188 0.000 2.097 124 E HA -0.212 4.137 4.350 -0.000 0.000 0.196 124 E C 1.101 177.710 176.600 0.015 0.000 1.000 124 E CA 1.723 58.079 56.400 -0.075 0.000 0.804 124 E CB -0.002 29.644 29.700 -0.089 0.000 0.740 124 E HN 0.674 nan 8.360 nan 0.000 0.454 125 K N -0.120 120.287 120.400 0.011 0.000 2.099 125 K HA 0.096 4.415 4.320 -0.000 0.000 0.203 125 K C 2.228 178.882 176.600 0.090 0.000 1.047 125 K CA 0.249 56.562 56.287 0.043 0.000 0.963 125 K CB -0.001 32.514 32.500 0.024 0.000 0.759 125 K HN -0.032 nan 8.250 nan 0.000 0.451 126 L N 0.410 121.698 121.223 0.109 0.000 2.395 126 L HA -0.032 4.308 4.340 -0.000 0.000 0.218 126 L C 1.878 178.996 176.870 0.413 0.000 1.130 126 L CA 0.680 55.634 54.840 0.190 0.000 0.826 126 L CB -0.217 41.937 42.059 0.158 0.000 0.941 126 L HN 0.073 nan 8.230 nan 0.000 0.451 127 F N 0.645 120.685 119.950 0.149 0.000 2.365 127 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 127 F C 2.522 178.558 175.800 0.393 0.000 1.090 127 F CA 1.459 59.576 58.000 0.195 0.000 1.408 127 F CB -0.691 38.304 39.000 -0.008 0.000 1.060 127 F HN 0.243 nan 8.300 nan 0.000 0.534 128 T N -2.286 112.432 114.554 0.273 0.000 3.035 128 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 128 T C 2.154 176.943 174.700 0.148 0.000 1.109 128 T CA 0.681 62.894 62.100 0.189 0.000 1.119 128 T CB -0.782 68.155 68.868 0.115 0.000 0.900 128 T HN 0.184 nan 8.240 nan 0.000 0.503 129 A N 0.824 123.737 122.820 0.155 0.000 2.076 129 A HA -0.002 4.318 4.320 -0.000 0.000 0.220 129 A C 2.028 179.463 177.584 -0.248 0.000 1.160 129 A CA 0.703 52.703 52.037 -0.062 0.000 0.653 129 A CB -1.108 17.773 19.000 -0.198 0.000 0.801 129 A HN 0.796 nan 8.150 nan 0.000 0.455 130 W N -2.047 119.049 121.300 -0.341 0.000 3.256 130 W HA 0.249 4.909 4.660 -0.000 0.000 0.269 130 W C -0.573 175.343 176.519 -1.006 0.000 1.310 130 W CA -0.008 56.948 57.345 -0.649 0.000 1.673 130 W CB 0.013 28.981 29.460 -0.821 0.000 1.115 130 W HN 0.341 nan 8.180 nan 0.000 0.686 131 F N 0.118 120.040 119.950 -0.047 0.000 2.566 131 F HA 0.101 4.628 4.527 -0.001 0.000 0.347 131 F C 1.335 177.098 175.800 -0.062 0.000 1.515 131 F CA -0.403 57.554 58.000 -0.072 0.000 1.103 131 F CB -0.330 38.600 39.000 -0.116 0.000 1.385 131 F HN -0.294 nan 8.300 nan 0.000 0.560 132 S N -1.086 114.622 115.700 0.013 0.000 2.447 132 S HA -0.200 4.269 4.470 -0.000 0.000 0.233 132 S C 1.715 176.326 174.600 0.018 0.000 1.006 132 S CA 1.327 59.525 58.200 -0.003 0.000 0.957 132 S CB -0.265 62.898 63.200 -0.062 0.000 0.773 132 S HN 0.644 nan 8.310 nan 0.000 0.507 133 D N 1.616 122.034 120.400 0.030 0.000 2.347 133 D HA -0.039 4.600 4.640 -0.000 0.000 0.215 133 D C 1.501 177.824 176.300 0.038 0.000 0.976 133 D CA 0.459 54.477 54.000 0.030 0.000 0.884 133 D CB -0.240 40.578 40.800 0.030 0.000 0.915 133 D HN 0.430 nan 8.370 nan 0.000 0.526 134 L N 0.615 121.872 121.223 0.057 0.000 2.616 134 L HA 0.144 4.484 4.340 -0.000 0.000 0.229 134 L C 1.039 177.920 176.870 0.018 0.000 1.110 134 L CA 0.165 55.025 54.840 0.033 0.000 0.884 134 L CB 0.312 42.388 42.059 0.028 0.000 1.115 134 L HN 0.049 nan 8.230 nan 0.000 0.481 135 T N -3.037 111.535 114.554 0.030 0.000 2.948 135 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 135 T C -2.553 172.157 174.700 0.018 0.000 1.019 135 T CA -2.016 60.096 62.100 0.021 0.000 1.013 135 T CB 1.776 70.664 68.868 0.034 0.000 1.117 135 T HN -0.234 nan 8.240 nan 0.000 0.533 136 P HA 0.173 nan 4.420 nan 0.000 0.274 136 P C -0.330 176.997 177.300 0.045 0.000 1.260 136 P CA -0.410 62.703 63.100 0.021 0.000 0.793 136 P CB 0.360 32.069 31.700 0.015 0.000 1.048 137 E N 0.150 120.383 120.200 0.056 0.000 2.366 137 E HA 0.145 4.495 4.350 -0.000 0.000 0.266 137 E C -0.278 176.457 176.600 0.224 0.000 1.015 137 E CA 0.789 57.268 56.400 0.132 0.000 0.906 137 E CB -0.084 29.621 29.700 0.008 0.000 0.979 137 E HN 0.319 nan 8.360 nan 0.000 0.443 138 T N 3.436 118.060 114.554 0.117 0.000 2.879 138 T HA 0.376 4.726 4.350 -0.000 0.000 0.290 138 T C -0.714 173.863 174.700 -0.206 0.000 0.993 138 T CA -0.661 61.403 62.100 -0.059 0.000 0.975 138 T CB 0.952 69.798 68.868 -0.036 0.000 0.981 138 T HN 0.207 nan 8.240 nan 0.000 0.439 139 L N 4.559 125.479 121.223 -0.504 0.000 2.333 139 L HA 0.759 5.099 4.340 -0.000 0.000 0.280 139 L C -1.130 175.581 176.870 -0.265 0.000 1.004 139 L CA -0.604 53.977 54.840 -0.430 0.000 0.820 139 L CB 1.432 43.042 42.059 -0.749 0.000 1.247 139 L HN 0.454 nan 8.230 nan 0.000 0.416 140 V N 4.894 124.719 119.914 -0.149 0.000 2.347 140 V HA 0.750 4.870 4.120 -0.000 0.000 0.280 140 V C 0.160 176.250 176.094 -0.006 0.000 1.021 140 V CA -0.115 62.137 62.300 -0.081 0.000 0.847 140 V CB 1.101 32.861 31.823 -0.106 0.000 0.990 140 V HN 0.938 nan 8.190 nan 0.000 0.444 141 T N 4.109 118.716 114.554 0.088 0.000 2.802 141 T HA 0.410 4.760 4.350 -0.000 0.000 0.311 141 T C 0.312 175.099 174.700 0.145 0.000 1.405 141 T CA -0.563 61.627 62.100 0.151 0.000 1.016 141 T CB 1.843 70.734 68.868 0.038 0.000 1.352 141 T HN 0.589 nan 8.240 nan 0.000 0.498 142 R N 0.735 121.280 120.500 0.074 0.000 2.335 142 R HA 0.254 4.594 4.340 -0.000 0.000 0.210 142 R C 0.231 176.508 176.300 -0.038 0.000 0.892 142 R CA -0.033 56.033 56.100 -0.057 0.000 1.048 142 R CB 0.228 30.421 30.300 -0.179 0.000 1.067 142 R HN 0.614 nan 8.270 nan 0.000 0.524 143 N N 0.535 119.231 118.700 -0.006 0.000 2.314 143 N HA 0.099 4.839 4.740 -0.000 0.000 0.304 143 N C -0.092 175.418 175.510 0.000 0.000 1.073 143 N CA -0.528 52.517 53.050 -0.007 0.000 0.822 143 N CB 2.441 40.931 38.487 0.006 0.000 1.280 143 N HN -0.228 nan 8.380 nan 0.000 0.489 144 K N 1.434 121.828 120.400 -0.010 0.000 2.020 144 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 144 K C 1.824 178.443 176.600 0.032 0.000 1.050 144 K CA 2.063 58.346 56.287 -0.007 0.000 0.929 144 K CB -0.375 32.114 32.500 -0.019 0.000 0.714 144 K HN 0.692 nan 8.250 nan 0.000 0.443 145 A N 0.874 123.718 122.820 0.039 0.000 1.978 145 A HA -0.228 4.091 4.320 -0.000 0.000 0.220 145 A C 1.976 179.610 177.584 0.084 0.000 1.170 145 A CA 1.597 53.670 52.037 0.061 0.000 0.636 145 A CB -0.427 18.601 19.000 0.047 0.000 0.810 145 A HN 0.501 nan 8.150 nan 0.000 0.448 146 Q N -0.805 119.040 119.800 0.075 0.000 2.137 146 Q HA 0.044 4.383 4.340 -0.000 0.000 0.198 146 Q C 2.041 178.126 176.000 0.142 0.000 0.960 146 Q CA 0.934 56.795 55.803 0.098 0.000 0.847 146 Q CB -0.177 28.600 28.738 0.065 0.000 0.915 146 Q HN 0.696 nan 8.270 nan 0.000 0.448 147 L N 0.638 121.924 121.223 0.105 0.000 2.056 147 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 147 L C 2.541 179.565 176.870 0.256 0.000 1.078 147 L CA 1.142 56.061 54.840 0.132 0.000 0.749 147 L CB -0.399 41.678 42.059 0.029 0.000 0.901 147 L HN 0.158 nan 8.230 nan 0.000 0.433 148 K N 0.490 121.024 120.400 0.223 0.000 2.057 148 K HA -0.194 4.125 4.320 -0.000 0.000 0.207 148 K C 2.116 178.923 176.600 0.344 0.000 1.049 148 K CA 1.431 57.916 56.287 0.329 0.000 0.931 148 K CB -0.065 32.572 32.500 0.227 0.000 0.714 148 K HN 0.272 nan 8.250 nan 0.000 0.440 149 A N 0.375 123.341 122.820 0.243 0.000 1.969 149 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 149 A C 1.923 179.657 177.584 0.250 0.000 1.169 149 A CA 1.032 53.185 52.037 0.193 0.000 0.635 149 A CB -0.656 18.436 19.000 0.153 0.000 0.810 149 A HN 0.492 nan 8.150 nan 0.000 0.445 150 F N -1.350 118.714 119.950 0.189 0.000 2.186 150 F HA -0.084 4.442 4.527 -0.000 0.000 0.299 150 F C 1.856 177.869 175.800 0.355 0.000 1.090 150 F CA 1.468 59.621 58.000 0.256 0.000 1.307 150 F CB -0.274 38.849 39.000 0.205 0.000 1.019 150 F HN 0.493 nan 8.300 nan 0.000 0.489 151 W N 1.854 123.289 121.300 0.224 0.000 2.425 151 W HA -0.081 4.579 4.660 -0.000 0.000 0.277 151 W C 2.008 178.548 176.519 0.034 0.000 1.231 151 W CA 1.734 59.153 57.345 0.124 0.000 1.248 151 W CB -0.462 29.072 29.460 0.123 0.000 1.117 151 W HN 0.123 nan 8.180 nan 0.000 0.568 152 E N -0.145 120.012 120.200 -0.070 0.000 2.107 152 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 152 E C 2.038 178.498 176.600 -0.234 0.000 0.982 152 E CA 1.149 57.398 56.400 -0.252 0.000 0.809 152 E CB -0.290 29.324 29.700 -0.143 0.000 0.756 152 E HN 0.205 nan 8.360 nan 0.000 0.459 153 K N 0.164 120.431 120.400 -0.222 0.000 2.217 153 K HA -0.112 4.207 4.320 -0.000 0.000 0.202 153 K C 1.435 177.693 176.600 -0.570 0.000 1.051 153 K CA 1.047 57.093 56.287 -0.401 0.000 0.952 153 K CB 0.226 32.430 32.500 -0.493 0.000 0.736 153 K HN 0.223 nan 8.250 nan 0.000 0.453 154 H N -1.470 117.462 119.070 -0.231 0.000 2.885 154 H HA 0.202 4.758 4.556 -0.000 0.000 0.260 154 H C 0.789 176.076 175.328 -0.069 0.000 0.985 154 H CA 0.593 56.533 56.048 -0.181 0.000 1.210 154 H CB 1.120 30.701 29.762 -0.301 0.000 1.466 154 H HN 0.116 nan 8.280 nan 0.000 0.493 155 S N 0.008 115.698 115.700 -0.017 0.000 2.115 155 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 155 S C 0.248 174.968 174.600 0.200 0.000 1.127 155 S CA 2.032 60.190 58.200 -0.070 0.000 1.645 155 S CB -0.623 62.528 63.200 -0.080 0.000 2.159 155 S HN 0.612 nan 8.310 nan 0.000 0.584 156 D N 0.498 121.061 120.400 0.272 0.000 2.575 156 D HA 0.619 5.259 4.640 -0.000 0.000 0.250 156 D C -0.434 176.057 176.300 0.318 0.000 1.279 156 D CA -0.436 53.741 54.000 0.296 0.000 0.925 156 D CB 0.616 41.542 40.800 0.209 0.000 1.261 156 D HN 0.557 nan 8.370 nan 0.000 0.567 157 I N -0.691 120.064 120.570 0.308 0.000 3.145 157 I HA 0.632 4.802 4.170 -0.000 0.000 0.313 157 I C -1.100 175.140 176.117 0.204 0.000 1.122 157 I CA -1.094 60.381 61.300 0.291 0.000 0.987 157 I CB 2.244 40.470 38.000 0.376 0.000 1.236 157 I HN 0.046 nan 8.210 nan 0.000 0.453 158 I N 4.267 124.965 120.570 0.213 0.000 2.362 158 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 158 I C -0.789 175.400 176.117 0.120 0.000 0.994 158 I CA -0.670 60.729 61.300 0.165 0.000 1.158 158 I CB 1.563 39.675 38.000 0.186 0.000 1.315 158 I HN 0.386 nan 8.210 nan 0.000 0.451 159 L N 7.074 128.362 121.223 0.107 0.000 2.325 159 L HA 0.512 4.851 4.340 -0.000 0.000 0.281 159 L C 0.061 177.008 176.870 0.127 0.000 1.004 159 L CA -0.641 54.241 54.840 0.070 0.000 0.823 159 L CB 1.526 43.583 42.059 -0.003 0.000 1.236 159 L HN 0.609 nan 8.230 nan 0.000 0.415 160 K N 3.629 124.078 120.400 0.083 0.000 2.395 160 K HA 0.801 5.121 4.320 -0.000 0.000 0.247 160 K C -2.905 173.737 176.600 0.071 0.000 0.973 160 K CA -1.827 54.518 56.287 0.097 0.000 0.828 160 K CB 2.409 34.951 32.500 0.070 0.000 1.272 160 K HN 0.185 nan 8.250 nan 0.000 0.439 161 P HA 0.101 nan 4.420 nan 0.000 0.276 161 P C 0.269 177.602 177.300 0.054 0.000 1.244 161 P CA -0.583 62.554 63.100 0.062 0.000 0.801 161 P CB 1.028 32.770 31.700 0.071 0.000 1.006 162 L N -0.029 121.229 121.223 0.059 0.000 2.162 162 L HA -0.008 4.331 4.340 -0.000 0.000 0.205 162 L C 0.820 177.719 176.870 0.049 0.000 1.086 162 L CA 0.883 55.756 54.840 0.055 0.000 0.778 162 L CB -0.668 41.437 42.059 0.076 0.000 0.928 162 L HN 0.331 nan 8.230 nan 0.000 0.446 169 S N 2.366 118.057 115.700 -0.014 0.000 2.694 169 S HA 0.471 4.940 4.470 -0.000 0.000 0.211 169 S C 0.100 174.678 174.600 -0.036 0.000 1.328 169 S CA -0.238 57.934 58.200 -0.047 0.000 1.236 169 S CB -1.561 61.654 63.200 0.026 0.000 1.121 169 S HN 1.391 nan 8.310 nan 0.000 0.517 170 I N -0.312 120.213 120.570 -0.075 0.000 2.396 170 I HA 0.684 4.853 4.170 -0.000 0.000 0.292 170 I C -0.924 175.128 176.117 -0.108 0.000 0.999 170 I CA -0.423 60.878 61.300 0.002 0.000 1.310 170 I CB 0.406 38.422 38.000 0.026 0.000 1.404 170 I HN 0.102 nan 8.210 nan 0.000 0.496 171 F N 4.838 124.776 119.950 -0.020 0.000 2.450 171 F HA 0.623 5.149 4.527 -0.001 0.000 0.332 171 F C 0.467 176.238 175.800 -0.047 0.000 1.093 171 F CA -0.470 57.504 58.000 -0.043 0.000 1.003 171 F CB 1.613 40.575 39.000 -0.064 0.000 1.151 171 F HN 0.530 nan 8.300 nan 0.000 0.474 172 R N 2.266 122.826 120.500 0.100 0.000 2.343 172 R HA 0.680 5.020 4.340 -0.000 0.000 0.320 172 R C -1.945 174.345 176.300 -0.017 0.000 0.956 172 R CA -0.446 55.660 56.100 0.009 0.000 0.836 172 R CB 1.248 31.490 30.300 -0.096 0.000 1.151 172 R HN 0.550 nan 8.270 nan 0.000 0.450 173 V N 6.623 126.508 119.914 -0.048 0.000 2.293 173 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 173 V C -0.284 175.841 176.094 0.052 0.000 1.021 173 V CA -0.556 61.653 62.300 -0.151 0.000 0.815 173 V CB 0.895 32.445 31.823 -0.456 0.000 1.025 173 V HN 0.773 nan 8.190 nan 0.000 0.448 174 K N 2.157 122.633 120.400 0.128 0.000 2.258 174 K HA 0.721 5.041 4.320 -0.000 0.000 0.236 174 K C -0.185 176.640 176.600 0.375 0.000 1.008 174 K CA -0.994 55.441 56.287 0.245 0.000 0.869 174 K CB 1.730 34.269 32.500 0.064 0.000 1.171 174 K HN 0.287 nan 8.250 nan 0.000 0.447 175 E N 0.197 120.572 120.200 0.290 0.000 2.900 175 E HA -0.025 4.325 4.350 -0.000 0.000 0.259 175 E C 0.766 177.476 176.600 0.185 0.000 0.918 175 E CA 2.258 58.773 56.400 0.190 0.000 0.960 175 E CB -0.514 29.216 29.700 0.049 0.000 0.908 175 E HN 0.823 nan 8.360 nan 0.000 0.511 176 G N 4.039 112.970 108.800 0.218 0.000 2.176 176 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.253 176 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.253 176 G C -0.015 174.993 174.900 0.180 0.000 0.979 176 G CA 0.043 45.240 45.100 0.162 0.000 0.641 176 G HN 0.688 nan 8.290 nan 0.000 0.530 177 D N 1.324 121.869 120.400 0.241 0.000 2.417 177 D HA 0.276 4.915 4.640 -0.000 0.000 0.250 177 D C -0.241 176.104 176.300 0.075 0.000 1.166 177 D CA -0.391 53.673 54.000 0.106 0.000 0.881 177 D CB 1.360 42.166 40.800 0.010 0.000 1.164 177 D HN 0.225 nan 8.370 nan 0.000 0.467 178 P HA 0.043 nan 4.420 nan 0.000 0.245 178 P C 0.258 177.543 177.300 -0.026 0.000 1.206 178 P CA 0.224 63.340 63.100 0.025 0.000 0.781 178 P CB 0.571 32.287 31.700 0.026 0.000 0.994 179 N N -0.128 118.525 118.700 -0.079 0.000 2.230 179 N HA 0.041 4.780 4.740 -0.000 0.000 0.202 179 N C 1.537 176.918 175.510 -0.216 0.000 1.119 179 N CA -0.236 52.740 53.050 -0.122 0.000 0.851 179 N CB -0.278 38.154 38.487 -0.091 0.000 0.990 179 N HN 0.070 nan 8.380 nan 0.000 0.497 180 L N 0.982 122.024 121.223 -0.302 0.000 2.051 180 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 180 L C 1.782 178.504 176.870 -0.247 0.000 1.076 180 L CA 2.029 56.638 54.840 -0.386 0.000 0.758 180 L CB -1.126 40.622 42.059 -0.517 0.000 0.890 180 L HN 0.143 nan 8.230 nan 0.000 0.433 181 G N -0.619 108.084 108.800 -0.162 0.000 2.414 181 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 181 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 181 G C 1.672 176.474 174.900 -0.164 0.000 1.188 181 G CA 1.475 46.499 45.100 -0.126 0.000 0.783 181 G HN 0.451 nan 8.290 nan 0.000 0.537 182 V N -0.397 119.418 119.914 -0.164 0.000 2.515 182 V HA -0.049 4.071 4.120 -0.000 0.000 0.250 182 V C 2.678 178.610 176.094 -0.270 0.000 1.058 182 V CA 1.352 63.542 62.300 -0.185 0.000 1.064 182 V CB -0.624 31.119 31.823 -0.134 0.000 0.675 182 V HN 0.361 nan 8.190 nan 0.000 0.461 183 I N 1.294 121.651 120.570 -0.355 0.000 2.226 183 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 183 I C 2.848 178.706 176.117 -0.431 0.000 1.100 183 I CA 1.688 62.644 61.300 -0.573 0.000 1.374 183 I CB -0.540 37.036 38.000 -0.706 0.000 1.057 183 I HN 0.365 nan 8.210 nan 0.000 0.413 184 A N -0.162 122.475 122.820 -0.306 0.000 1.970 184 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 184 A C 2.158 179.614 177.584 -0.214 0.000 1.170 184 A CA 1.257 53.160 52.037 -0.223 0.000 0.645 184 A CB -0.312 18.590 19.000 -0.164 0.000 0.816 184 A HN 0.278 nan 8.150 nan 0.000 0.447 185 E N -0.361 119.688 120.200 -0.252 0.000 2.152 185 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 185 E C 1.997 178.361 176.600 -0.394 0.000 0.983 185 E CA 1.606 57.801 56.400 -0.343 0.000 0.818 185 E CB -0.334 29.138 29.700 -0.381 0.000 0.758 185 E HN 0.534 nan 8.360 nan 0.000 0.467 186 T N 0.280 114.657 114.554 -0.294 0.000 2.809 186 T HA 0.005 4.355 4.350 -0.000 0.000 0.260 186 T C 1.787 176.407 174.700 -0.134 0.000 1.039 186 T CA 0.813 62.795 62.100 -0.197 0.000 1.141 186 T CB -0.119 68.646 68.868 -0.172 0.000 0.869 186 T HN 0.105 nan 8.240 nan 0.000 0.437 187 L N 1.376 122.502 121.223 -0.161 0.000 2.156 187 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 187 L C 2.756 179.587 176.870 -0.064 0.000 1.095 187 L CA 1.342 56.128 54.840 -0.089 0.000 0.770 187 L CB -0.847 41.148 42.059 -0.107 0.000 0.914 187 L HN 0.424 nan 8.230 nan 0.000 0.439 188 T N -4.274 110.224 114.554 -0.094 0.000 3.107 188 T HA 0.038 4.387 4.350 -0.000 0.000 0.249 188 T C 0.646 175.314 174.700 -0.053 0.000 1.096 188 T CA -0.258 61.797 62.100 -0.075 0.000 1.012 188 T CB -0.131 68.684 68.868 -0.088 0.000 0.977 188 T HN 0.293 nan 8.240 nan 0.000 0.527 189 E N 1.850 122.027 120.200 -0.039 0.000 2.228 189 E HA -0.251 4.099 4.350 -0.000 0.000 0.213 189 E C -0.664 176.036 176.600 0.168 0.000 1.282 189 E CA 0.528 56.970 56.400 0.069 0.000 0.707 189 E CB -1.875 27.864 29.700 0.065 0.000 1.150 189 E HN 0.767 nan 8.360 nan 0.000 0.362 190 H N -3.044 115.995 119.070 -0.052 0.000 2.933 190 H HA -0.189 4.366 4.556 -0.000 0.000 0.301 190 H C 1.018 176.314 175.328 -0.053 0.000 1.280 190 H CA 0.915 56.934 56.048 -0.048 0.000 1.155 190 H CB -1.698 28.041 29.762 -0.037 0.000 1.379 190 H HN 0.875 nan 8.280 nan 0.000 0.419 191 G N -0.386 108.411 108.800 -0.006 0.000 2.136 191 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.242 191 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.242 191 G C 0.949 175.807 174.900 -0.070 0.000 0.989 191 G CA 1.234 46.311 45.100 -0.039 0.000 0.682 191 G HN 0.875 nan 8.290 nan 0.000 0.522 192 T N -3.124 111.390 114.554 -0.067 0.000 3.023 192 T HA 0.508 4.858 4.350 -0.000 0.000 0.253 192 T C 0.833 175.434 174.700 -0.165 0.000 1.038 192 T CA 0.279 62.321 62.100 -0.097 0.000 0.962 192 T CB 0.637 69.480 68.868 -0.042 0.000 1.018 192 T HN 0.515 nan 8.240 nan 0.000 0.521 193 R N 0.159 120.554 120.500 -0.174 0.000 2.686 193 R HA 0.524 4.864 4.340 -0.000 0.000 0.283 193 R C -1.523 174.649 176.300 -0.213 0.000 0.978 193 R CA -0.867 55.118 56.100 -0.192 0.000 0.897 193 R CB 1.429 31.694 30.300 -0.059 0.000 1.192 193 R HN 0.160 nan 8.270 nan 0.000 0.457 194 Y N 1.086 121.386 120.300 -0.000 0.000 2.411 194 Y HA 0.145 4.695 4.550 -0.001 0.000 0.333 194 Y C 1.025 176.915 175.900 -0.016 0.000 1.186 194 Y CA -0.256 57.837 58.100 -0.011 0.000 1.381 194 Y CB 0.551 39.008 38.460 -0.005 0.000 1.273 194 Y HN 0.619 nan 8.280 nan 0.000 0.546 195 C N 2.861 122.234 119.300 0.122 0.000 3.108 195 C HA 0.887 5.347 4.460 -0.000 0.000 0.321 195 C C -0.545 174.458 174.990 0.022 0.000 1.357 195 C CA -1.387 57.662 59.018 0.052 0.000 1.562 195 C CB 1.453 29.193 27.740 -0.001 0.000 2.003 195 C HN 0.957 nan 8.230 nan 0.000 0.460 196 M N 2.107 121.701 119.600 -0.009 0.000 2.393 196 M HA 0.703 5.182 4.480 -0.000 0.000 0.316 196 M C -0.635 175.616 176.300 -0.081 0.000 1.087 196 M CA -0.217 55.051 55.300 -0.053 0.000 0.937 196 M CB 1.896 34.482 32.600 -0.023 0.000 1.668 196 M HN 1.183 nan 8.290 nan 0.000 0.438 197 A N 4.265 126.971 122.820 -0.190 0.000 2.371 197 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 197 A C -1.442 176.021 177.584 -0.202 0.000 1.068 197 A CA -0.545 51.375 52.037 -0.195 0.000 0.744 197 A CB 1.627 20.396 19.000 -0.384 0.000 1.239 197 A HN 0.854 nan 8.150 nan 0.000 0.435 198 Q N 0.958 120.804 119.800 0.077 0.000 2.456 198 Q HA 0.316 4.655 4.340 -0.000 0.000 0.283 198 Q C -0.892 175.279 176.000 0.285 0.000 1.084 198 Q CA -1.184 54.724 55.803 0.176 0.000 0.801 198 Q CB 2.192 30.986 28.738 0.092 0.000 1.434 198 Q HN 0.915 nan 8.270 nan 0.000 0.419 199 N N 0.857 119.652 118.700 0.157 0.000 2.530 199 N HA -0.013 4.727 4.740 -0.000 0.000 0.273 199 N C -0.916 174.680 175.510 0.142 0.000 1.173 199 N CA -0.142 52.950 53.050 0.070 0.000 0.967 199 N CB 0.699 39.110 38.487 -0.127 0.000 1.109 199 N HN 0.547 nan 8.380 nan 0.000 0.453 200 Y N 1.860 122.205 120.300 0.075 0.000 2.620 200 Y HA 0.143 4.693 4.550 -0.000 0.000 0.330 200 Y C -0.321 175.607 175.900 0.046 0.000 1.186 200 Y CA -0.110 58.028 58.100 0.064 0.000 1.467 200 Y CB 0.373 38.879 38.460 0.078 0.000 1.262 200 Y HN 0.455 nan 8.280 nan 0.000 0.550 201 L N 9.964 130.768 121.223 -0.697 0.000 2.301 201 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 201 L C -1.497 174.843 176.870 -0.883 0.000 1.022 201 L CA -1.802 52.699 54.840 -0.564 0.000 0.854 201 L CB 1.504 43.395 42.059 -0.281 0.000 1.226 201 L HN 0.592 nan 8.230 nan 0.000 0.429 202 P HA -0.170 nan 4.420 nan 0.000 0.222 202 P C 1.138 178.337 177.300 -0.168 0.000 1.147 202 P CA 0.822 63.712 63.100 -0.350 0.000 0.790 202 P CB 0.440 32.108 31.700 -0.053 0.000 0.780 203 A N -0.007 122.719 122.820 -0.157 0.000 2.248 203 A HA -0.063 4.256 4.320 -0.000 0.000 0.210 203 A C 2.064 179.602 177.584 -0.077 0.000 1.174 203 A CA 0.197 52.182 52.037 -0.087 0.000 0.750 203 A CB -1.652 17.302 19.000 -0.076 0.000 0.780 203 A HN 0.232 nan 8.150 nan 0.000 0.478 204 I N -1.256 119.251 120.570 -0.104 0.000 2.454 204 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 204 I C 1.674 177.788 176.117 -0.005 0.000 1.156 204 I CA 1.394 62.664 61.300 -0.049 0.000 1.433 204 I CB 0.012 37.991 38.000 -0.034 0.000 1.082 204 I HN 0.109 nan 8.210 nan 0.000 0.432 205 K N 0.933 121.338 120.400 0.009 0.000 2.442 205 K HA -0.148 4.172 4.320 -0.000 0.000 0.198 205 K C 1.145 177.752 176.600 0.011 0.000 1.044 205 K CA 1.004 57.306 56.287 0.025 0.000 0.948 205 K CB -0.333 32.192 32.500 0.042 0.000 0.762 205 K HN 0.379 nan 8.250 nan 0.000 0.472 206 D N -0.826 119.573 120.400 -0.002 0.000 2.348 206 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 206 D C -0.003 176.295 176.300 -0.004 0.000 0.998 206 D CA 0.735 54.733 54.000 -0.003 0.000 0.873 206 D CB 0.716 41.510 40.800 -0.010 0.000 0.925 206 D HN 0.221 nan 8.370 nan 0.000 0.524 207 G N 0.626 109.421 108.800 -0.007 0.000 2.801 207 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.648 207 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.648 207 G C -1.591 173.298 174.900 -0.018 0.000 1.415 207 G CA -1.015 44.081 45.100 -0.007 0.000 0.887 207 G HN -0.044 nan 8.290 nan 0.000 0.627 208 D N 1.427 121.818 120.400 -0.015 0.000 2.365 208 D HA 0.376 5.016 4.640 -0.000 0.000 0.237 208 D C 0.487 176.771 176.300 -0.026 0.000 1.190 208 D CA 0.005 53.992 54.000 -0.022 0.000 0.867 208 D CB 0.474 41.266 40.800 -0.013 0.000 1.050 208 D HN 0.402 nan 8.370 nan 0.000 0.491 209 K N 3.291 123.668 120.400 -0.039 0.000 2.205 209 K HA 0.356 4.675 4.320 -0.000 0.000 0.279 209 K C 0.256 176.822 176.600 -0.058 0.000 1.027 209 K CA -0.740 55.519 56.287 -0.047 0.000 0.932 209 K CB 1.470 33.932 32.500 -0.063 0.000 1.032 209 K HN 0.114 nan 8.250 nan 0.000 0.466 210 R N 2.537 123.006 120.500 -0.052 0.000 2.215 210 R HA 0.259 4.599 4.340 -0.000 0.000 0.337 210 R C -0.783 175.466 176.300 -0.084 0.000 1.010 210 R CA -0.539 55.523 56.100 -0.062 0.000 0.871 210 R CB 0.787 31.064 30.300 -0.038 0.000 1.134 210 R HN 0.319 nan 8.270 nan 0.000 0.477 211 V N 5.364 125.207 119.914 -0.120 0.000 2.472 211 V HA 0.437 4.556 4.120 -0.000 0.000 0.290 211 V C 0.482 176.479 176.094 -0.162 0.000 1.037 211 V CA -0.718 61.491 62.300 -0.151 0.000 0.908 211 V CB 2.046 33.755 31.823 -0.190 0.000 0.985 211 V HN 0.507 nan 8.190 nan 0.000 0.454 212 L N 4.628 125.761 121.223 -0.149 0.000 2.325 212 L HA 0.702 5.042 4.340 -0.000 0.000 0.278 212 L C -0.855 175.936 176.870 -0.133 0.000 1.023 212 L CA -0.797 53.935 54.840 -0.181 0.000 0.811 212 L CB 2.036 44.038 42.059 -0.096 0.000 1.249 212 L HN 0.331 nan 8.230 nan 0.000 0.431 213 V N 3.429 123.257 119.914 -0.144 0.000 2.488 213 V HA 0.237 4.357 4.120 -0.000 0.000 0.293 213 V C -0.235 175.875 176.094 0.027 0.000 1.027 213 V CA -0.549 61.718 62.300 -0.055 0.000 0.862 213 V CB 2.080 33.853 31.823 -0.083 0.000 1.008 213 V HN 0.414 nan 8.190 nan 0.000 0.428 214 V N 4.071 124.053 119.914 0.113 0.000 2.304 214 V HA 0.321 4.441 4.120 -0.000 0.000 0.262 214 V C 0.510 176.678 176.094 0.123 0.000 1.061 214 V CA -0.153 62.264 62.300 0.195 0.000 0.872 214 V CB 0.518 32.467 31.823 0.210 0.000 1.077 214 V HN 1.072 nan 8.190 nan 0.000 0.480 215 D N 4.644 125.111 120.400 0.111 0.000 2.697 215 D HA -0.166 4.474 4.640 -0.000 0.000 0.238 215 D C 1.251 177.587 176.300 0.062 0.000 1.152 215 D CA 1.870 55.918 54.000 0.080 0.000 0.666 215 D CB -1.061 39.785 40.800 0.077 0.000 1.037 215 D HN 1.218 nan 8.370 nan 0.000 0.423 216 G N -0.422 108.408 108.800 0.051 0.000 2.225 216 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 216 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 216 G C -0.047 174.880 174.900 0.046 0.000 0.988 216 G CA 0.351 45.475 45.100 0.040 0.000 0.625 216 G HN 0.445 nan 8.290 nan 0.000 0.527 217 E N 1.989 122.225 120.200 0.060 0.000 2.109 217 E HA 0.391 4.741 4.350 -0.000 0.000 0.278 217 E C -2.409 174.235 176.600 0.074 0.000 0.954 217 E CA -2.135 54.313 56.400 0.079 0.000 0.779 217 E CB 1.715 31.466 29.700 0.085 0.000 1.093 217 E HN 0.257 nan 8.360 nan 0.000 0.401 218 P HA -0.024 nan 4.420 nan 0.000 0.264 218 P C 0.161 177.460 177.300 -0.002 0.000 1.193 218 P CA -0.076 63.015 63.100 -0.015 0.000 0.763 218 P CB 0.588 32.229 31.700 -0.099 0.000 0.810 219 V N 7.211 127.098 119.914 -0.044 0.000 2.521 219 V HA 0.011 4.131 4.120 -0.000 0.000 0.286 219 V C -1.124 174.871 176.094 -0.165 0.000 1.034 219 V CA -0.691 61.602 62.300 -0.011 0.000 1.045 219 V CB 0.443 32.291 31.823 0.042 0.000 0.974 219 V HN 0.521 nan 8.190 nan 0.000 0.480 220 P HA 0.001 nan 4.420 nan 0.000 0.234 220 P C -0.722 176.103 177.300 -0.792 0.000 1.167 220 P CA 1.045 63.867 63.100 -0.464 0.000 0.763 220 P CB 0.025 31.495 31.700 -0.382 0.000 0.835 221 Y N -1.186 118.963 120.300 -0.251 0.000 2.442 221 Y HA 0.409 4.958 4.550 -0.001 0.000 0.344 221 Y C 0.672 176.469 175.900 -0.171 0.000 0.976 221 Y CA -1.204 56.714 58.100 -0.302 0.000 1.040 221 Y CB 1.050 39.267 38.460 -0.406 0.000 1.228 221 Y HN -0.030 nan 8.280 nan 0.000 0.451 222 C N 1.664 120.956 119.300 -0.013 0.000 2.871 222 C HA 0.917 5.377 4.460 -0.000 0.000 0.351 222 C C -1.091 173.926 174.990 0.046 0.000 1.338 222 C CA -1.231 57.776 59.018 -0.018 0.000 1.686 222 C CB 1.215 28.892 27.740 -0.104 0.000 2.135 222 C HN 0.913 nan 8.230 nan 0.000 0.476 223 L N 1.874 123.114 121.223 0.028 0.000 2.325 223 L HA 0.715 5.055 4.340 -0.000 0.000 0.281 223 L C 0.152 177.032 176.870 0.016 0.000 1.004 223 L CA -0.208 54.659 54.840 0.045 0.000 0.823 223 L CB 1.306 43.392 42.059 0.045 0.000 1.236 223 L HN 1.096 nan 8.230 nan 0.000 0.415 224 A N 5.915 128.748 122.820 0.021 0.000 2.269 224 A HA 0.659 4.978 4.320 -0.000 0.000 0.302 224 A C -0.014 177.576 177.584 0.009 0.000 1.266 224 A CA -0.659 51.382 52.037 0.006 0.000 0.894 224 A CB 0.138 19.142 19.000 0.007 0.000 1.147 224 A HN 0.716 nan 8.150 nan 0.000 0.537 243 E N 3.204 123.423 120.200 0.031 0.000 2.244 243 E HA 0.513 4.862 4.350 -0.000 0.000 0.260 243 E C -2.744 173.906 176.600 0.083 0.000 0.884 243 E CA -2.136 54.291 56.400 0.045 0.000 0.777 243 E CB 2.971 32.696 29.700 0.042 0.000 1.197 243 E HN 0.223 nan 8.360 nan 0.000 0.416 244 P HA 0.157 nan 4.420 nan 0.000 0.271 244 P C -1.202 176.312 177.300 0.356 0.000 1.216 244 P CA -0.009 63.246 63.100 0.258 0.000 0.771 244 P CB 0.627 32.501 31.700 0.291 0.000 0.864 245 R N 3.470 124.136 120.500 0.278 0.000 2.740 245 R HA 0.521 4.861 4.340 -0.000 0.000 0.273 245 R C -2.710 173.603 176.300 0.022 0.000 0.998 245 R CA -2.284 53.922 56.100 0.178 0.000 0.900 245 R CB 1.156 31.502 30.300 0.077 0.000 1.223 245 R HN 0.235 nan 8.270 nan 0.000 0.466 246 P HA 0.028 nan 4.420 nan 0.000 0.270 246 P C -0.482 176.671 177.300 -0.245 0.000 1.223 246 P CA -0.199 62.751 63.100 -0.249 0.000 0.785 246 P CB 0.485 32.069 31.700 -0.193 0.000 0.923 247 L N 1.218 122.186 121.223 -0.426 0.000 2.455 247 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 247 L C 1.464 178.163 176.870 -0.285 0.000 1.174 247 L CA -0.117 54.413 54.840 -0.517 0.000 0.869 247 L CB -0.283 41.072 42.059 -1.173 0.000 1.130 247 L HN 0.498 nan 8.230 nan 0.000 0.474 248 T N -1.467 112.981 114.554 -0.176 0.000 2.698 248 T HA -0.007 4.343 4.350 -0.000 0.000 0.295 248 T C 1.013 175.751 174.700 0.064 0.000 1.007 248 T CA -0.399 61.681 62.100 -0.033 0.000 0.980 248 T CB 0.998 69.847 68.868 -0.033 0.000 1.036 248 T HN 0.746 nan 8.240 nan 0.000 0.526 249 E N 0.131 120.403 120.200 0.120 0.000 2.110 249 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 249 E C 2.146 178.824 176.600 0.129 0.000 0.988 249 E CA 1.451 57.958 56.400 0.178 0.000 0.804 249 E CB -0.279 29.478 29.700 0.094 0.000 0.745 249 E HN 0.778 nan 8.360 nan 0.000 0.458 250 S N 0.592 116.319 115.700 0.044 0.000 2.428 250 S HA -0.110 4.359 4.470 -0.000 0.000 0.230 250 S C 1.373 175.959 174.600 -0.023 0.000 1.014 250 S CA 0.972 59.179 58.200 0.012 0.000 0.957 250 S CB -0.100 63.094 63.200 -0.010 0.000 0.784 250 S HN 0.239 nan 8.310 nan 0.000 0.499 251 D N 1.217 121.566 120.400 -0.085 0.000 2.097 251 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 251 D C 1.491 177.681 176.300 -0.184 0.000 0.984 251 D CA 0.904 54.792 54.000 -0.185 0.000 0.826 251 D CB -0.545 40.069 40.800 -0.310 0.000 0.973 251 D HN 0.540 nan 8.370 nan 0.000 0.460 252 W N 1.739 122.992 121.300 -0.078 0.000 2.305 252 W HA -0.184 4.476 4.660 -0.001 0.000 0.308 252 W C 2.523 179.003 176.519 -0.066 0.000 1.226 252 W CA 0.667 57.966 57.345 -0.077 0.000 1.253 252 W CB -0.064 29.352 29.460 -0.075 0.000 1.146 252 W HN -0.078 nan 8.180 nan 0.000 0.507 253 K N 0.921 121.423 120.400 0.170 0.000 1.985 253 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 253 K C 1.679 178.297 176.600 0.029 0.000 1.047 253 K CA 1.816 58.153 56.287 0.084 0.000 0.932 253 K CB -0.925 31.608 32.500 0.054 0.000 0.716 253 K HN 0.221 nan 8.250 nan 0.000 0.439 254 I N 1.077 121.639 120.570 -0.013 0.000 2.091 254 I HA -0.317 3.852 4.170 -0.000 0.000 0.239 254 I C 2.549 178.609 176.117 -0.095 0.000 1.061 254 I CA 1.551 62.812 61.300 -0.065 0.000 1.317 254 I CB -0.494 37.452 38.000 -0.091 0.000 1.031 254 I HN 0.191 nan 8.210 nan 0.000 0.401 255 A N 0.430 123.196 122.820 -0.090 0.000 1.940 255 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 255 A C 2.307 179.868 177.584 -0.038 0.000 1.176 255 A CA 1.935 53.913 52.037 -0.098 0.000 0.631 255 A CB -0.535 18.393 19.000 -0.120 0.000 0.814 255 A HN 0.297 nan 8.150 nan 0.000 0.446 256 R N -0.353 120.167 120.500 0.034 0.000 2.236 256 R HA 0.022 4.362 4.340 -0.000 0.000 0.208 256 R C 2.069 178.378 176.300 0.014 0.000 1.036 256 R CA 1.465 57.596 56.100 0.051 0.000 1.001 256 R CB -0.510 29.848 30.300 0.098 0.000 0.896 256 R HN 0.716 nan 8.270 nan 0.000 0.464 257 Q N -0.412 119.380 119.800 -0.014 0.000 2.137 257 Q HA 0.001 4.340 4.340 -0.000 0.000 0.198 257 Q C 1.575 177.554 176.000 -0.034 0.000 0.960 257 Q CA 1.329 57.130 55.803 -0.004 0.000 0.847 257 Q CB 0.103 28.841 28.738 -0.000 0.000 0.915 257 Q HN 0.397 nan 8.270 nan 0.000 0.448 258 I N -0.379 120.080 120.570 -0.185 0.000 2.617 258 I HA -0.046 4.124 4.170 -0.000 0.000 0.256 258 I C 2.213 178.257 176.117 -0.121 0.000 1.167 258 I CA 0.723 61.817 61.300 -0.344 0.000 1.469 258 I CB -0.369 37.262 38.000 -0.615 0.000 1.098 258 I HN 0.219 nan 8.210 nan 0.000 0.436 259 G N 2.711 111.472 108.800 -0.065 0.000 2.446 259 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.217 259 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.217 259 G C -0.321 174.595 174.900 0.026 0.000 1.168 259 G CA 0.798 45.890 45.100 -0.014 0.000 0.771 259 G HN 0.299 nan 8.290 nan 0.000 0.551 260 P HA -0.064 nan 4.420 nan 0.000 0.219 260 P C 1.616 178.964 177.300 0.081 0.000 1.146 260 P CA 1.441 64.576 63.100 0.058 0.000 0.808 260 P CB -0.214 31.520 31.700 0.057 0.000 0.779 261 T N 0.344 114.967 114.554 0.115 0.000 2.851 261 T HA 0.019 4.369 4.350 -0.000 0.000 0.262 261 T C 1.922 176.714 174.700 0.152 0.000 1.043 261 T CA 0.892 63.096 62.100 0.173 0.000 1.140 261 T CB -0.616 68.448 68.868 0.327 0.000 0.872 261 T HN 0.082 nan 8.240 nan 0.000 0.446 262 L N 0.780 122.072 121.223 0.115 0.000 2.156 262 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 262 L C 2.719 179.627 176.870 0.063 0.000 1.095 262 L CA 1.063 55.958 54.840 0.091 0.000 0.770 262 L CB -0.505 41.583 42.059 0.048 0.000 0.914 262 L HN 0.161 nan 8.230 nan 0.000 0.439 263 K N 1.347 121.781 120.400 0.057 0.000 2.057 263 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 263 K C 1.956 178.583 176.600 0.045 0.000 1.050 263 K CA 1.867 58.184 56.287 0.049 0.000 0.935 263 K CB 0.057 32.585 32.500 0.046 0.000 0.715 263 K HN 0.524 nan 8.250 nan 0.000 0.439 264 E N 0.116 120.346 120.200 0.051 0.000 2.347 264 E HA -0.122 4.227 4.350 -0.000 0.000 0.196 264 E C 1.204 177.823 176.600 0.033 0.000 1.008 264 E CA 0.862 57.287 56.400 0.042 0.000 0.852 264 E CB 0.100 29.828 29.700 0.047 0.000 0.783 264 E HN 0.154 nan 8.360 nan 0.000 0.505 265 K N 0.125 120.546 120.400 0.034 0.000 2.404 265 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 265 K C 0.708 177.305 176.600 -0.004 0.000 1.023 265 K CA 0.423 56.714 56.287 0.005 0.000 1.094 265 K CB 0.571 33.068 32.500 -0.004 0.000 0.841 265 K HN 0.338 nan 8.250 nan 0.000 0.523 266 G N 1.942 110.751 108.800 0.015 0.000 2.160 266 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 266 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 266 G C -0.013 174.899 174.900 0.022 0.000 1.008 266 G CA -0.141 44.970 45.100 0.019 0.000 0.724 266 G HN 0.243 nan 8.290 nan 0.000 0.514 267 L N 0.731 121.966 121.223 0.021 0.000 2.358 267 L HA 0.392 4.732 4.340 -0.000 0.000 0.274 267 L C 1.880 178.783 176.870 0.055 0.000 1.136 267 L CA -0.623 54.232 54.840 0.024 0.000 0.970 267 L CB 0.241 42.303 42.059 0.005 0.000 1.314 267 L HN 0.186 nan 8.230 nan 0.000 0.427 268 I N 1.409 122.030 120.570 0.085 0.000 2.617 268 I HA -0.092 4.078 4.170 -0.000 0.000 0.256 268 I C 0.322 176.566 176.117 0.211 0.000 1.167 268 I CA 1.064 62.435 61.300 0.119 0.000 1.469 268 I CB 0.197 38.260 38.000 0.104 0.000 1.098 268 I HN 0.331 nan 8.210 nan 0.000 0.436 269 F N 1.422 121.384 119.950 0.019 0.000 2.553 269 F HA 0.572 5.098 4.527 -0.001 0.000 0.335 269 F C -0.837 174.969 175.800 0.012 0.000 1.148 269 F CA -1.020 56.992 58.000 0.019 0.000 0.963 269 F CB 0.973 39.989 39.000 0.028 0.000 1.217 269 F HN -0.445 nan 8.300 nan 0.000 0.441 270 V N 4.184 123.879 119.914 -0.364 0.000 2.823 270 V HA 0.835 4.954 4.120 -0.000 0.000 0.312 270 V C 0.051 175.896 176.094 -0.416 0.000 1.072 270 V CA -0.812 61.301 62.300 -0.311 0.000 0.937 270 V CB 1.915 33.653 31.823 -0.141 0.000 1.013 270 V HN 0.910 nan 8.190 nan 0.000 0.430 271 G N 3.198 111.810 108.800 -0.312 0.000 2.416 271 G HA2 0.720 4.680 3.960 -0.000 0.000 0.324 271 G HA3 0.720 4.680 3.960 -0.000 0.000 0.324 271 G C -1.167 173.633 174.900 -0.167 0.000 1.194 271 G CA -0.545 44.403 45.100 -0.253 0.000 0.922 271 G HN 0.564 nan 8.290 nan 0.000 0.467 272 L N 1.653 122.784 121.223 -0.154 0.000 2.329 272 L HA 0.403 4.743 4.340 -0.000 0.000 0.279 272 L C -0.826 175.979 176.870 -0.109 0.000 1.014 272 L CA -0.875 53.886 54.840 -0.132 0.000 0.814 272 L CB 2.326 44.292 42.059 -0.155 0.000 1.257 272 L HN 0.412 nan 8.230 nan 0.000 0.424 273 D N 3.274 123.623 120.400 -0.085 0.000 2.280 273 D HA 0.557 5.197 4.640 -0.000 0.000 0.236 273 D C -0.682 175.577 176.300 -0.069 0.000 1.082 273 D CA 0.031 53.990 54.000 -0.067 0.000 0.834 273 D CB 1.553 42.325 40.800 -0.046 0.000 1.100 273 D HN 0.264 nan 8.370 nan 0.000 0.486 274 I N 3.818 124.345 120.570 -0.072 0.000 2.447 274 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 274 I C -0.639 175.441 176.117 -0.061 0.000 1.023 274 I CA -0.624 60.633 61.300 -0.072 0.000 1.083 274 I CB 1.571 39.516 38.000 -0.091 0.000 1.245 274 I HN 0.221 nan 8.210 nan 0.000 0.434 275 I N 5.993 126.529 120.570 -0.057 0.000 2.355 275 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 275 I C 1.000 177.079 176.117 -0.064 0.000 0.999 275 I CA 0.036 61.300 61.300 -0.059 0.000 1.163 275 I CB 1.308 39.269 38.000 -0.065 0.000 1.316 275 I HN 0.889 nan 8.210 nan 0.000 0.454 276 G N 6.055 114.819 108.800 -0.059 0.000 2.565 276 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.295 276 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.295 276 G C 0.308 175.178 174.900 -0.050 0.000 1.165 276 G CA 0.613 45.681 45.100 -0.053 0.000 0.977 276 G HN 0.790 nan 8.290 nan 0.000 0.546 277 D N 0.823 121.197 120.400 -0.044 0.000 2.462 277 D HA 0.322 4.961 4.640 -0.000 0.000 0.221 277 D C 0.676 176.953 176.300 -0.039 0.000 1.173 277 D CA -0.096 53.881 54.000 -0.039 0.000 0.831 277 D CB 0.197 40.981 40.800 -0.027 0.000 1.001 277 D HN 0.390 nan 8.370 nan 0.000 0.499 278 R N 0.705 121.179 120.500 -0.044 0.000 2.514 278 R HA 0.451 4.791 4.340 -0.000 0.000 0.301 278 R C -0.610 175.662 176.300 -0.046 0.000 0.962 278 R CA -1.209 54.868 56.100 -0.038 0.000 0.882 278 R CB 1.389 31.670 30.300 -0.033 0.000 1.143 278 R HN 0.123 nan 8.270 nan 0.000 0.452 279 L N 2.506 123.701 121.223 -0.045 0.000 2.313 279 L HA 0.197 4.537 4.340 -0.000 0.000 0.282 279 L C 1.058 177.909 176.870 -0.032 0.000 1.092 279 L CA 0.652 55.458 54.840 -0.057 0.000 0.831 279 L CB 0.967 42.978 42.059 -0.079 0.000 1.159 279 L HN 0.883 nan 8.230 nan 0.000 0.442 280 T N 0.513 115.048 114.554 -0.032 0.000 2.990 280 T HA 0.336 4.686 4.350 -0.000 0.000 0.249 280 T C 0.508 175.205 174.700 -0.005 0.000 1.039 280 T CA 0.024 62.116 62.100 -0.013 0.000 1.036 280 T CB 0.092 68.951 68.868 -0.015 0.000 0.994 280 T HN 0.584 nan 8.240 nan 0.000 0.489 281 E N -0.457 119.732 120.200 -0.018 0.000 2.380 281 E HA 0.576 4.925 4.350 -0.000 0.000 0.281 281 E C -2.042 174.545 176.600 -0.022 0.000 0.999 281 E CA -0.761 55.634 56.400 -0.009 0.000 0.800 281 E CB 2.227 31.919 29.700 -0.014 0.000 1.228 281 E HN 0.308 nan 8.360 nan 0.000 0.436 282 I N 3.056 123.628 120.570 0.003 0.000 2.466 282 I HA 0.276 4.446 4.170 -0.000 0.000 0.279 282 I C -0.572 175.527 176.117 -0.030 0.000 1.033 282 I CA -0.809 60.490 61.300 -0.002 0.000 1.123 282 I CB 1.352 39.414 38.000 0.104 0.000 1.237 282 I HN 0.299 nan 8.210 nan 0.000 0.460 283 N N 5.434 124.093 118.700 -0.069 0.000 2.411 283 N HA 0.187 4.927 4.740 -0.000 0.000 0.259 283 N C 0.132 175.583 175.510 -0.098 0.000 1.103 283 N CA 0.184 53.183 53.050 -0.084 0.000 0.954 283 N CB 1.947 40.386 38.487 -0.079 0.000 1.085 283 N HN 0.382 nan 8.380 nan 0.000 0.485 284 V N 2.596 122.444 119.914 -0.110 0.000 3.604 284 V HA -0.033 4.086 4.120 -0.000 0.000 0.277 284 V C 1.826 177.887 176.094 -0.055 0.000 1.399 284 V CA 1.295 63.531 62.300 -0.107 0.000 1.034 284 V CB 0.295 32.007 31.823 -0.185 0.000 0.824 284 V HN 0.859 nan 8.190 nan 0.000 0.439 285 T N -4.009 110.522 114.554 -0.037 0.000 3.031 285 T HA 0.056 4.406 4.350 -0.000 0.000 0.236 285 T C 1.139 175.930 174.700 0.151 0.000 1.005 285 T CA 0.773 62.922 62.100 0.083 0.000 1.230 285 T CB 0.189 69.091 68.868 0.057 0.000 0.913 285 T HN 0.178 nan 8.240 nan 0.000 0.419 286 S N 3.315 119.088 115.700 0.122 0.000 2.128 286 S HA 0.434 4.904 4.470 -0.000 0.000 0.157 286 S C -2.879 171.789 174.600 0.113 0.000 1.650 286 S CA -1.428 56.862 58.200 0.151 0.000 1.269 286 S CB 0.450 63.747 63.200 0.162 0.000 1.227 286 S HN 0.357 nan 8.310 nan 0.000 0.405 287 P HA 0.179 nan 4.420 nan 0.000 0.271 287 P C 0.087 177.462 177.300 0.125 0.000 1.220 287 P CA 0.185 63.274 63.100 -0.018 0.000 0.768 287 P CB 1.308 32.829 31.700 -0.298 0.000 0.848 288 T N 1.287 115.889 114.554 0.079 0.000 2.708 288 T HA 0.388 4.738 4.350 -0.000 0.000 0.256 288 T C -0.019 174.740 174.700 0.098 0.000 0.946 288 T CA 0.013 62.188 62.100 0.125 0.000 1.039 288 T CB -0.103 68.818 68.868 0.089 0.000 1.557 288 T HN 0.510 nan 8.240 nan 0.000 0.576 289 C N -0.103 119.250 119.300 0.089 0.000 4.761 289 C HA -0.107 4.353 4.460 -0.000 0.000 0.250 289 C C 1.923 176.974 174.990 0.102 0.000 1.232 289 C CA 0.122 59.184 59.018 0.075 0.000 1.596 289 C CB -3.006 24.762 27.740 0.046 0.000 1.604 289 C HN 0.782 nan 8.230 nan 0.000 0.685 290 I N 0.255 120.908 120.570 0.137 0.000 2.179 290 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 290 I C 2.627 178.801 176.117 0.094 0.000 1.088 290 I CA 1.663 63.047 61.300 0.140 0.000 1.357 290 I CB -0.382 37.703 38.000 0.142 0.000 1.051 290 I HN 0.421 nan 8.210 nan 0.000 0.409 291 R N 0.945 121.492 120.500 0.078 0.000 2.083 291 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 291 R C 2.087 178.414 176.300 0.045 0.000 1.137 291 R CA 1.499 57.634 56.100 0.058 0.000 0.951 291 R CB -0.738 29.595 30.300 0.055 0.000 0.851 291 R HN 0.408 nan 8.270 nan 0.000 0.434 292 E N 0.309 120.537 120.200 0.047 0.000 2.150 292 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 292 E C 1.959 178.587 176.600 0.047 0.000 0.985 292 E CA 0.767 57.187 56.400 0.034 0.000 0.814 292 E CB -0.149 29.573 29.700 0.036 0.000 0.752 292 E HN 0.341 nan 8.360 nan 0.000 0.466 293 I N 0.521 121.143 120.570 0.087 0.000 2.716 293 I HA -0.122 4.048 4.170 -0.000 0.000 0.259 293 I C 1.794 177.975 176.117 0.107 0.000 1.172 293 I CA 0.787 62.175 61.300 0.146 0.000 1.478 293 I CB -0.061 38.045 38.000 0.177 0.000 1.104 293 I HN 0.054 nan 8.210 nan 0.000 0.439 294 E N 1.102 121.340 120.200 0.064 0.000 2.285 294 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 294 E C 2.219 178.809 176.600 -0.017 0.000 0.997 294 E CA 0.801 57.222 56.400 0.035 0.000 0.845 294 E CB 0.027 29.750 29.700 0.039 0.000 0.782 294 E HN 0.462 nan 8.360 nan 0.000 0.491 295 A N 1.026 123.825 122.820 -0.034 0.000 2.119 295 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 295 A C 1.775 179.263 177.584 -0.161 0.000 1.153 295 A CA 0.979 52.972 52.037 -0.072 0.000 0.692 295 A CB 0.115 19.084 19.000 -0.052 0.000 0.799 295 A HN 0.036 nan 8.150 nan 0.000 0.458 296 E N -1.818 118.221 120.200 -0.268 0.000 2.332 296 E HA 0.234 4.584 4.350 -0.000 0.000 0.202 296 E C -0.633 175.452 176.600 -0.859 0.000 0.877 296 E CA 0.207 56.249 56.400 -0.597 0.000 0.979 296 E CB 0.178 29.363 29.700 -0.859 0.000 0.969 296 E HN 0.492 nan 8.360 nan 0.000 0.495 297 F N 1.663 121.459 119.950 -0.257 0.000 2.523 297 F HA 0.356 4.883 4.527 -0.000 0.000 0.329 297 F C -1.932 173.719 175.800 -0.249 0.000 1.061 297 F CA -2.672 55.072 58.000 -0.426 0.000 0.967 297 F CB 1.029 39.430 39.000 -0.998 0.000 1.218 297 F HN -0.257 nan 8.300 nan 0.000 0.480 298 P HA 0.213 nan 4.420 nan 0.000 0.225 298 P C -1.002 176.356 177.300 0.096 0.000 1.830 298 P CA 0.140 63.269 63.100 0.047 0.000 1.051 298 P CB 1.001 32.737 31.700 0.060 0.000 1.929 299 V N 1.351 121.321 119.914 0.092 0.000 2.841 299 V HA 0.455 4.575 4.120 -0.000 0.000 0.310 299 V C -0.761 175.388 176.094 0.092 0.000 1.090 299 V CA -0.589 61.791 62.300 0.134 0.000 0.930 299 V CB 2.583 34.541 31.823 0.225 0.000 1.014 299 V HN 0.272 nan 8.190 nan 0.000 0.425 300 S N 5.739 121.486 115.700 0.079 0.000 2.528 300 S HA 0.448 4.917 4.470 -0.000 0.000 0.303 300 S C 0.903 175.538 174.600 0.058 0.000 1.123 300 S CA -0.552 57.678 58.200 0.051 0.000 1.138 300 S CB 0.448 63.664 63.200 0.027 0.000 0.984 300 S HN 0.604 nan 8.310 nan 0.000 0.474 301 I N 3.247 123.861 120.570 0.073 0.000 2.252 301 I HA -0.143 4.026 4.170 -0.000 0.000 0.245 301 I C 2.774 178.897 176.117 0.010 0.000 1.102 301 I CA 1.576 62.928 61.300 0.087 0.000 1.385 301 I CB -0.493 37.593 38.000 0.144 0.000 1.064 301 I HN 0.691 nan 8.210 nan 0.000 0.414 302 T N -1.447 113.086 114.554 -0.035 0.000 2.915 302 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 302 T C 1.963 176.616 174.700 -0.079 0.000 1.071 302 T CA 1.048 63.086 62.100 -0.103 0.000 1.132 302 T CB -0.943 67.862 68.868 -0.105 0.000 0.878 302 T HN 0.432 nan 8.240 nan 0.000 0.479 303 G N 1.015 109.792 108.800 -0.037 0.000 2.394 303 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.215 303 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.215 303 G C 1.620 176.521 174.900 0.000 0.000 1.165 303 G CA 0.588 45.674 45.100 -0.022 0.000 0.784 303 G HN 0.462 nan 8.290 nan 0.000 0.535 304 M N -0.134 119.478 119.600 0.020 0.000 2.108 304 M HA 0.051 4.531 4.480 -0.000 0.000 0.261 304 M C 2.484 178.802 176.300 0.031 0.000 1.066 304 M CA 1.028 56.353 55.300 0.042 0.000 1.107 304 M CB -0.276 32.369 32.600 0.075 0.000 1.356 304 M HN 0.186 nan 8.290 nan 0.000 0.406 305 L N -0.087 121.128 121.223 -0.014 0.000 2.005 305 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 305 L C 2.438 179.299 176.870 -0.016 0.000 1.072 305 L CA 1.235 56.044 54.840 -0.053 0.000 0.744 305 L CB -0.164 41.759 42.059 -0.226 0.000 0.895 305 L HN 0.344 nan 8.230 nan 0.000 0.433 306 M N -0.778 118.813 119.600 -0.016 0.000 2.296 306 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 306 M C 1.740 178.086 176.300 0.077 0.000 1.064 306 M CA 1.291 56.620 55.300 0.048 0.000 1.109 306 M CB -1.362 31.240 32.600 0.003 0.000 1.396 306 M HN 0.207 nan 8.290 nan 0.000 0.430 307 D N 0.541 120.970 120.400 0.047 0.000 2.144 307 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 307 D C 2.032 178.362 176.300 0.050 0.000 0.978 307 D CA 1.519 55.550 54.000 0.051 0.000 0.833 307 D CB -0.053 40.772 40.800 0.041 0.000 0.961 307 D HN 0.320 nan 8.370 nan 0.000 0.470 308 A N 0.640 123.489 122.820 0.048 0.000 1.898 308 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 308 A C 2.362 179.973 177.584 0.046 0.000 1.181 308 A CA 0.707 52.774 52.037 0.049 0.000 0.620 308 A CB -0.634 18.401 19.000 0.059 0.000 0.819 308 A HN 0.163 nan 8.150 nan 0.000 0.442 309 I N -0.353 120.247 120.570 0.050 0.000 2.226 309 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 309 I C 2.505 178.640 176.117 0.031 0.000 1.100 309 I CA 1.600 62.927 61.300 0.044 0.000 1.374 309 I CB -0.377 37.662 38.000 0.066 0.000 1.057 309 I HN 0.430 nan 8.210 nan 0.000 0.413 310 E N 0.746 120.975 120.200 0.048 0.000 2.110 310 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 310 E C 2.314 178.926 176.600 0.020 0.000 0.988 310 E CA 1.286 57.705 56.400 0.032 0.000 0.804 310 E CB -0.171 29.566 29.700 0.062 0.000 0.745 310 E HN 0.535 nan 8.360 nan 0.000 0.458 311 A N 1.734 124.571 122.820 0.027 0.000 1.845 311 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 311 A C 2.059 179.652 177.584 0.016 0.000 1.195 311 A CA 1.105 53.155 52.037 0.022 0.000 0.616 311 A CB -0.347 18.669 19.000 0.027 0.000 0.832 311 A HN 0.036 nan 8.150 nan 0.000 0.443 312 R N -0.288 120.223 120.500 0.018 0.000 2.117 312 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 312 R C 2.005 178.306 176.300 0.002 0.000 1.143 312 R CA 1.406 57.513 56.100 0.013 0.000 0.968 312 R CB -1.022 29.288 30.300 0.017 0.000 0.863 312 R HN 0.612 nan 8.270 nan 0.000 0.444 313 L N 0.923 122.142 121.223 -0.006 0.000 2.109 313 L HA -0.101 4.238 4.340 -0.000 0.000 0.207 313 L C 0.786 177.645 176.870 -0.017 0.000 1.086 313 L CA 0.905 55.732 54.840 -0.021 0.000 0.760 313 L CB -0.181 41.853 42.059 -0.042 0.000 0.910 313 L HN 0.038 nan 8.230 nan 0.000 0.437 314 Q N 0.499 120.293 119.800 -0.010 0.000 3.008 314 Q HA 0.144 4.483 4.340 -0.000 0.000 0.307 314 Q C -0.017 175.982 176.000 -0.001 0.000 1.273 314 Q CA 0.142 55.941 55.803 -0.007 0.000 1.091 314 Q CB 1.282 30.018 28.738 -0.003 0.000 1.393 314 Q HN 0.501 nan 8.270 nan 0.000 0.521 315 Q N -0.588 119.211 119.800 -0.002 0.000 1.835 315 Q HA 0.051 4.391 4.340 -0.000 0.000 0.148 315 Q C -0.432 175.568 176.000 0.000 0.000 0.545 315 Q CA 0.029 55.833 55.803 0.002 0.000 0.840 315 Q CB 0.814 29.555 28.738 0.006 0.000 0.985 315 Q HN 0.282 nan 8.270 nan 0.000 0.258 316 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 316 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 316 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 316 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 316 Q HN 0.000 nan 8.270 nan 0.000 0.481