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 3c8w_1_A DATA FIRST_RESID 5 DATA SEQUENCE LSANSLEGVI DNEFSXPAPR WLNTYPAGPY RFINREFFII AYETDPDLLQ DATA SEQUENCE AILPPDXELL EPVVKFEFIR XPDSTGFGDY TESGQVVPVR YKGEEGGFTI DATA SEQUENCE SXFLDCHAPI AGGREIWGFP XKLAKPKLFV EEDTLIGILK YGSIDIAIAT DATA SEQUENCE XGYKHRPLDA EKVLESVKKP VFLLKNIPNV DGTPLVNQLT KTYLTDITVK DATA SEQUENCE GAWTGPGSLE LHPHALAPIS NLYIKKIVSV SHFITDLTLP YGKVVADYLA 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.877 176.870 0.012 0.000 1.165 5 L CA 0.000 54.847 54.840 0.011 0.000 0.813 5 L CB 0.000 42.066 42.059 0.011 0.000 0.961 6 S N -0.425 115.284 115.700 0.015 0.000 2.694 6 S HA 1.010 5.480 4.470 0.000 0.000 0.273 6 S C -0.971 173.640 174.600 0.019 0.000 1.180 6 S CA -0.093 58.117 58.200 0.016 0.000 0.864 6 S CB 1.198 64.409 63.200 0.018 0.000 1.198 6 S HN 2.558 nan 8.310 nan 0.000 0.499 7 A N 0.436 123.269 122.820 0.020 0.000 2.571 7 A HA 0.682 5.002 4.320 0.000 0.000 0.296 7 A C -2.166 175.431 177.584 0.022 0.000 1.005 7 A CA -0.849 51.202 52.037 0.024 0.000 0.682 7 A CB 0.551 19.563 19.000 0.020 0.000 1.292 7 A HN 0.713 nan 8.150 nan 0.000 0.420 8 N N 0.755 119.471 118.700 0.027 0.000 2.321 8 N HA 0.393 5.133 4.740 0.000 0.000 0.299 8 N C 1.176 176.695 175.510 0.014 0.000 1.048 8 N CA 0.211 53.272 53.050 0.017 0.000 0.836 8 N CB 1.954 40.453 38.487 0.021 0.000 1.269 8 N HN 0.842 nan 8.380 nan 0.000 0.486 9 S N 1.364 117.066 115.700 0.002 0.000 2.442 9 S HA -0.081 4.389 4.470 0.000 0.000 0.236 9 S C 1.016 175.617 174.600 0.001 0.000 1.007 9 S CA 0.346 58.546 58.200 0.000 0.000 0.965 9 S CB -0.121 63.074 63.200 -0.008 0.000 0.773 9 S HN 0.554 nan 8.310 nan 0.000 0.504 10 L N 2.426 123.645 121.223 -0.007 0.000 2.473 10 L HA 0.242 4.582 4.340 0.000 0.000 0.268 10 L C -0.070 176.827 176.870 0.045 0.000 1.215 10 L CA 0.496 55.328 54.840 -0.013 0.000 0.823 10 L CB 0.268 42.278 42.059 -0.082 0.000 1.099 10 L HN 0.684 nan 8.230 nan 0.000 0.483 11 E N 2.307 122.545 120.200 0.063 0.000 7.384 11 E HA 0.217 4.568 4.350 0.000 0.000 0.194 11 E C -0.685 175.975 176.600 0.100 0.000 0.909 11 E CA 0.088 56.574 56.400 0.144 0.000 1.667 11 E CB -1.425 28.371 29.700 0.160 0.000 0.889 11 E HN 1.019 nan 8.360 nan 0.000 0.269 12 G N 1.333 110.198 108.800 0.110 0.000 1.968 12 G HA2 0.472 4.432 3.960 0.000 0.000 0.183 12 G HA3 0.472 4.432 3.960 0.000 0.000 0.183 12 G C 0.390 175.422 174.900 0.219 0.000 1.665 12 G CA 0.071 45.269 45.100 0.163 0.000 1.015 12 G HN 1.774 nan 8.290 nan 0.000 0.624 13 V N -2.943 117.039 119.914 0.113 0.000 2.859 13 V HA -0.338 3.782 4.120 0.000 0.000 0.190 13 V C 2.358 178.487 176.094 0.059 0.000 1.770 13 V CA 1.957 64.319 62.300 0.103 0.000 2.204 13 V CB -2.114 29.801 31.823 0.154 0.000 1.233 13 V HN 2.395 nan 8.190 nan 0.000 1.175 14 I N -0.176 120.422 120.570 0.047 0.000 2.617 14 I HA 0.358 4.528 4.170 0.000 0.000 0.256 14 I C 1.305 177.424 176.117 0.003 0.000 1.167 14 I CA 2.084 63.399 61.300 0.025 0.000 1.469 14 I CB -0.382 37.632 38.000 0.024 0.000 1.098 14 I HN 0.592 nan 8.210 nan 0.000 0.436 15 D N 1.391 121.787 120.400 -0.007 0.000 2.500 15 D HA 0.239 4.879 4.640 0.000 0.000 0.219 15 D C -0.360 175.926 176.300 -0.024 0.000 1.137 15 D CA -0.197 53.785 54.000 -0.030 0.000 0.946 15 D CB -0.299 40.471 40.800 -0.050 0.000 1.022 15 D HN 0.481 nan 8.370 nan 0.000 0.518 16 N N 2.649 121.339 118.700 -0.017 0.000 2.816 16 N HA 0.071 4.811 4.740 0.000 0.000 0.236 16 N C 0.436 175.929 175.510 -0.029 0.000 1.076 16 N CA -0.280 52.772 53.050 0.003 0.000 0.902 16 N CB 0.724 39.220 38.487 0.015 0.000 1.149 16 N HN 0.265 nan 8.380 nan 0.000 0.506 17 E N 1.223 121.391 120.200 -0.055 0.000 2.285 17 E HA -0.038 4.312 4.350 0.000 0.000 0.194 17 E C -0.021 176.288 176.600 -0.485 0.000 0.997 17 E CA 0.860 57.105 56.400 -0.260 0.000 0.845 17 E CB 0.171 29.669 29.700 -0.336 0.000 0.782 17 E HN 0.595 nan 8.360 nan 0.000 0.491 18 F N 0.638 120.576 119.950 -0.021 0.000 2.668 18 F HA 0.189 4.716 4.527 0.000 0.000 0.301 18 F C 0.579 176.355 175.800 -0.040 0.000 1.106 18 F CA -0.308 57.673 58.000 -0.032 0.000 1.289 18 F CB 0.276 39.258 39.000 -0.029 0.000 1.006 18 F HN -0.287 nan 8.300 nan 0.000 0.535 22 A N 2.146 124.980 122.820 0.023 0.000 2.508 22 A HA 0.651 4.971 4.320 0.000 0.000 0.336 22 A C -2.288 175.318 177.584 0.036 0.000 1.360 22 A CA -0.855 51.198 52.037 0.027 0.000 0.841 22 A CB 0.099 19.111 19.000 0.022 0.000 1.136 22 A HN 0.086 nan 8.150 nan 0.000 0.489 23 P HA 0.314 nan 4.420 nan 0.000 0.274 23 P C -0.412 176.930 177.300 0.071 0.000 1.246 23 P CA -0.541 62.591 63.100 0.054 0.000 0.795 23 P CB 0.684 32.419 31.700 0.058 0.000 1.006 24 R N 0.750 121.291 120.500 0.068 0.000 2.312 24 R HA 0.123 4.464 4.340 0.000 0.000 0.311 24 R C 0.747 177.130 176.300 0.138 0.000 1.004 24 R CA -0.579 55.579 56.100 0.096 0.000 0.902 24 R CB 0.215 30.547 30.300 0.053 0.000 1.073 24 R HN 0.599 nan 8.270 nan 0.000 0.457 25 W N 5.068 126.366 121.300 -0.002 0.000 2.358 25 W HA -0.124 4.536 4.660 0.000 0.000 0.303 25 W C 0.071 176.589 176.519 -0.000 0.000 1.208 25 W CA 0.750 58.094 57.345 -0.000 0.000 1.274 25 W CB 0.092 29.553 29.460 0.001 0.000 1.138 25 W HN 0.432 nan 8.180 nan 0.000 0.515 26 L N 3.219 124.440 121.223 -0.004 0.000 2.268 26 L HA 0.292 4.633 4.340 0.000 0.000 0.289 26 L C -0.525 176.259 176.870 -0.144 0.000 1.064 26 L CA -0.035 54.672 54.840 -0.222 0.000 0.824 26 L CB -0.133 41.907 42.059 -0.030 0.000 1.202 26 L HN -0.125 nan 8.230 nan 0.000 0.433 27 N N 2.811 121.391 118.700 -0.199 0.000 2.524 27 N HA 0.337 5.077 4.740 0.000 0.000 0.283 27 N C 0.469 175.910 175.510 -0.115 0.000 1.142 27 N CA -0.181 52.778 53.050 -0.152 0.000 0.984 27 N CB 1.646 40.050 38.487 -0.138 0.000 1.155 27 N HN 0.587 nan 8.380 nan 0.000 0.467 28 T N -0.355 114.106 114.554 -0.155 0.000 2.999 28 T HA 0.116 4.466 4.350 0.000 0.000 0.247 28 T C -0.496 174.268 174.700 0.108 0.000 1.012 28 T CA 0.662 62.751 62.100 -0.019 0.000 1.048 28 T CB 0.100 68.999 68.868 0.052 0.000 1.020 28 T HN 0.664 nan 8.240 nan 0.000 0.478 29 Y N 0.409 120.795 120.300 0.143 0.000 2.513 29 Y HA 0.731 5.281 4.550 0.000 0.000 0.340 29 Y C -3.296 172.778 175.900 0.290 0.000 1.055 29 Y CA -3.199 55.041 58.100 0.234 0.000 1.020 29 Y CB 0.307 38.979 38.460 0.352 0.000 1.301 29 Y HN -0.203 nan 8.280 nan 0.000 0.453 30 P HA 0.483 nan 4.420 nan 0.000 0.279 30 P C -0.579 176.897 177.300 0.293 0.000 1.276 30 P CA -0.385 62.830 63.100 0.192 0.000 0.801 30 P CB 1.102 32.834 31.700 0.054 0.000 1.127 31 A N 0.142 122.906 122.820 -0.093 0.000 2.351 31 A HA 0.568 4.888 4.320 0.000 0.000 0.257 31 A C 0.799 178.156 177.584 -0.379 0.000 1.087 31 A CA 0.206 52.092 52.037 -0.251 0.000 0.798 31 A CB -0.449 18.243 19.000 -0.512 0.000 1.033 31 A HN 0.644 nan 8.150 nan 0.000 0.488 32 G N 0.107 108.509 108.800 -0.663 0.000 2.641 32 G HA2 0.621 4.581 3.960 0.000 0.000 0.239 32 G HA3 0.621 4.581 3.960 0.000 0.000 0.239 32 G C -2.196 172.266 174.900 -0.731 0.000 1.402 32 G CA -1.011 43.239 45.100 -1.416 0.000 1.046 32 G HN 0.685 nan 8.290 nan 0.000 0.565 33 P HA 0.190 nan 4.420 nan 0.000 0.271 33 P C -1.596 175.303 177.300 -0.668 0.000 1.244 33 P CA 0.098 62.856 63.100 -0.571 0.000 0.793 33 P CB 0.392 31.965 31.700 -0.213 0.000 0.984 34 Y N -0.787 119.480 120.300 -0.054 0.000 2.364 34 Y HA 0.516 5.067 4.550 0.000 0.000 0.340 34 Y C 0.890 176.697 175.900 -0.155 0.000 0.975 34 Y CA -0.913 57.087 58.100 -0.167 0.000 1.089 34 Y CB 1.760 40.124 38.460 -0.160 0.000 1.192 34 Y HN 0.223 nan 8.280 nan 0.000 0.454 35 R N 2.633 123.047 120.500 -0.144 0.000 2.346 35 R HA 0.579 4.919 4.340 0.000 0.000 0.311 35 R C -2.129 174.030 176.300 -0.236 0.000 0.983 35 R CA -0.805 55.251 56.100 -0.072 0.000 0.880 35 R CB 0.271 30.545 30.300 -0.043 0.000 1.100 35 R HN 0.506 nan 8.270 nan 0.000 0.453 36 F N 5.486 125.483 119.950 0.079 0.000 2.426 36 F HA 0.480 5.007 4.527 0.000 0.000 0.348 36 F C -0.118 175.707 175.800 0.042 0.000 1.124 36 F CA -0.880 57.151 58.000 0.052 0.000 1.008 36 F CB 1.313 40.332 39.000 0.032 0.000 1.139 36 F HN 0.167 nan 8.300 nan 0.000 0.452 37 I N 3.857 124.530 120.570 0.171 0.000 2.377 37 I HA 0.245 4.415 4.170 0.000 0.000 0.293 37 I C 0.122 176.306 176.117 0.111 0.000 0.987 37 I CA -0.773 60.600 61.300 0.122 0.000 1.185 37 I CB 1.319 39.363 38.000 0.073 0.000 1.341 37 I HN 0.615 nan 8.210 nan 0.000 0.455 38 N N 3.166 121.931 118.700 0.108 0.000 2.735 38 N HA -0.224 4.516 4.740 0.000 0.000 0.248 38 N C 0.409 175.955 175.510 0.061 0.000 1.083 38 N CA 0.533 53.639 53.050 0.093 0.000 0.703 38 N CB -1.004 37.529 38.487 0.075 0.000 1.005 38 N HN 0.617 nan 8.380 nan 0.000 0.550 39 R N 1.374 121.911 120.500 0.061 0.000 2.399 39 R HA 0.088 4.428 4.340 0.000 0.000 0.324 39 R C -0.020 176.225 176.300 -0.092 0.000 1.030 39 R CA 0.311 56.359 56.100 -0.088 0.000 0.984 39 R CB 0.365 30.581 30.300 -0.139 0.000 0.961 39 R HN 0.218 nan 8.270 nan 0.000 0.433 40 E N 4.957 125.047 120.200 -0.185 0.000 2.145 40 E HA 0.212 4.562 4.350 0.000 0.000 0.270 40 E C -1.404 175.089 176.600 -0.178 0.000 0.906 40 E CA -0.709 55.669 56.400 -0.038 0.000 0.761 40 E CB 0.709 30.454 29.700 0.076 0.000 1.116 40 E HN 0.396 nan 8.360 nan 0.000 0.408 41 F N 4.229 124.028 119.950 -0.252 0.000 2.436 41 F HA 0.415 4.942 4.527 0.000 0.000 0.340 41 F C -0.408 175.352 175.800 -0.066 0.000 1.113 41 F CA -0.904 56.871 58.000 -0.375 0.000 1.022 41 F CB 1.032 39.361 39.000 -1.119 0.000 1.128 41 F HN 0.371 nan 8.300 nan 0.000 0.466 42 F N 5.668 125.681 119.950 0.105 0.000 2.496 42 F HA 0.697 5.225 4.527 0.000 0.000 0.341 42 F C -1.387 174.545 175.800 0.220 0.000 1.134 42 F CA -2.165 55.920 58.000 0.141 0.000 0.968 42 F CB 0.600 39.625 39.000 0.041 0.000 1.205 42 F HN 0.312 nan 8.300 nan 0.000 0.436 43 I N 7.477 128.204 120.570 0.262 0.000 2.466 43 I HA 0.433 4.603 4.170 0.000 0.000 0.289 43 I C -0.792 175.394 176.117 0.115 0.000 1.026 43 I CA -0.696 60.680 61.300 0.127 0.000 1.078 43 I CB 2.307 40.443 38.000 0.226 0.000 1.249 43 I HN 0.426 nan 8.210 nan 0.000 0.429 44 I N 5.452 126.059 120.570 0.062 0.000 2.382 44 I HA 0.474 4.644 4.170 0.000 0.000 0.285 44 I C 0.160 176.408 176.117 0.218 0.000 1.007 44 I CA -0.456 60.922 61.300 0.130 0.000 1.142 44 I CB 1.725 39.764 38.000 0.065 0.000 1.289 44 I HN 0.623 nan 8.210 nan 0.000 0.453 45 A N 7.286 130.209 122.820 0.171 0.000 2.301 45 A HA 0.704 5.024 4.320 0.000 0.000 0.298 45 A C -1.025 176.664 177.584 0.176 0.000 1.185 45 A CA -0.165 51.939 52.037 0.112 0.000 0.830 45 A CB 0.346 19.383 19.000 0.060 0.000 1.112 45 A HN 0.687 nan 8.150 nan 0.000 0.508 46 Y N -0.517 119.811 120.300 0.047 0.000 2.562 46 Y HA 0.697 5.247 4.550 0.000 0.000 0.345 46 Y C -0.499 175.408 175.900 0.012 0.000 1.045 46 Y CA -1.172 56.946 58.100 0.029 0.000 1.028 46 Y CB 1.038 39.511 38.460 0.022 0.000 1.297 46 Y HN 0.621 nan 8.280 nan 0.000 0.463 47 E N 1.615 121.920 120.200 0.174 0.000 2.313 47 E HA 0.422 4.772 4.350 0.000 0.000 0.276 47 E C -0.715 175.959 176.600 0.124 0.000 1.031 47 E CA -0.211 56.235 56.400 0.075 0.000 0.857 47 E CB 1.655 31.399 29.700 0.072 0.000 1.040 47 E HN 0.792 nan 8.360 nan 0.000 0.408 48 T N 1.357 115.897 114.554 -0.023 0.000 2.626 48 T HA 0.116 4.466 4.350 0.000 0.000 0.279 48 T C -1.479 173.094 174.700 -0.211 0.000 0.983 48 T CA -0.738 61.269 62.100 -0.156 0.000 1.059 48 T CB 1.241 70.020 68.868 -0.148 0.000 1.396 48 T HN 0.379 nan 8.240 nan 0.000 0.519 49 D N 1.396 121.570 120.400 -0.377 0.000 2.325 49 D HA 0.334 4.974 4.640 0.000 0.000 0.251 49 D C -1.289 174.956 176.300 -0.093 0.000 1.196 49 D CA -2.131 51.767 54.000 -0.170 0.000 0.866 49 D CB 1.596 42.326 40.800 -0.117 0.000 1.101 49 D HN 0.150 nan 8.370 nan 0.000 0.476 50 P HA -0.098 nan 4.420 nan 0.000 0.222 50 P C 0.413 177.699 177.300 -0.024 0.000 1.147 50 P CA 0.734 63.813 63.100 -0.034 0.000 0.790 50 P CB 0.498 32.186 31.700 -0.020 0.000 0.780 51 D N -0.122 120.272 120.400 -0.011 0.000 2.183 51 D HA -0.022 4.618 4.640 0.000 0.000 0.203 51 D C 2.182 178.481 176.300 -0.001 0.000 0.969 51 D CA 0.803 54.803 54.000 -0.001 0.000 0.842 51 D CB -0.415 40.395 40.800 0.016 0.000 0.957 51 D HN 0.232 nan 8.370 nan 0.000 0.484 52 L N 0.294 121.514 121.223 -0.005 0.000 2.056 52 L HA -0.096 4.244 4.340 0.000 0.000 0.207 52 L C 2.559 179.427 176.870 -0.003 0.000 1.078 52 L CA 0.716 55.557 54.840 0.002 0.000 0.749 52 L CB -0.411 41.642 42.059 -0.011 0.000 0.901 52 L HN -0.003 nan 8.230 nan 0.000 0.433 53 L N -0.731 120.481 121.223 -0.018 0.000 2.072 53 L HA -0.159 4.181 4.340 0.000 0.000 0.205 53 L C 2.655 179.518 176.870 -0.011 0.000 1.079 53 L CA 0.769 55.603 54.840 -0.009 0.000 0.752 53 L CB -0.406 41.638 42.059 -0.026 0.000 0.906 53 L HN 0.261 nan 8.230 nan 0.000 0.436 54 Q N 0.387 120.173 119.800 -0.023 0.000 2.224 54 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 54 Q C 2.121 178.099 176.000 -0.037 0.000 0.970 54 Q CA 1.633 57.414 55.803 -0.036 0.000 0.865 54 Q CB -0.179 28.540 28.738 -0.033 0.000 0.922 54 Q HN 0.425 nan 8.270 nan 0.000 0.445 55 A N -0.427 122.381 122.820 -0.020 0.000 2.014 55 A HA -0.038 4.282 4.320 0.000 0.000 0.218 55 A C 1.901 179.476 177.584 -0.016 0.000 1.163 55 A CA 0.986 53.013 52.037 -0.017 0.000 0.652 55 A CB -0.392 18.607 19.000 -0.002 0.000 0.808 55 A HN 0.427 nan 8.150 nan 0.000 0.449 56 I N -0.321 120.250 120.570 0.001 0.000 3.030 56 I HA 0.040 4.210 4.170 0.000 0.000 0.270 56 I C 0.249 176.378 176.117 0.020 0.000 1.211 56 I CA 0.036 61.357 61.300 0.036 0.000 1.479 56 I CB -0.054 37.998 38.000 0.085 0.000 1.105 56 I HN 0.156 nan 8.210 nan 0.000 0.447 57 L N 3.165 124.343 121.223 -0.074 0.000 2.426 57 L HA 0.202 4.542 4.340 0.000 0.000 0.271 57 L C -1.745 174.962 176.870 -0.272 0.000 1.169 57 L CA -1.671 53.013 54.840 -0.261 0.000 0.836 57 L CB -0.136 41.765 42.059 -0.263 0.000 1.112 57 L HN -0.074 nan 8.230 nan 0.000 0.465 58 P HA 0.233 nan 4.420 nan 0.000 0.275 58 P C -2.563 174.595 177.300 -0.236 0.000 1.266 58 P CA -1.417 61.477 63.100 -0.342 0.000 0.793 58 P CB -0.608 30.870 31.700 -0.370 0.000 1.074 59 P HA 0.065 nan 4.420 nan 0.000 0.263 59 P C -0.343 176.998 177.300 0.069 0.000 1.195 59 P CA 1.203 64.270 63.100 -0.054 0.000 0.762 59 P CB -0.047 31.654 31.700 0.001 0.000 0.799 63 L N 4.515 125.705 121.223 -0.057 0.000 2.290 63 L HA 0.480 4.820 4.340 0.000 0.000 0.284 63 L C 1.103 177.958 176.870 -0.025 0.000 1.078 63 L CA 0.431 55.247 54.840 -0.039 0.000 0.815 63 L CB 0.456 42.492 42.059 -0.038 0.000 1.162 63 L HN 0.874 nan 8.230 nan 0.000 0.435 64 L N 3.398 124.614 121.223 -0.012 0.000 2.068 64 L HA 0.153 4.493 4.340 0.000 0.000 0.204 64 L C 1.048 177.913 176.870 -0.008 0.000 1.076 64 L CA 1.154 55.991 54.840 -0.005 0.000 0.753 64 L CB -0.361 41.703 42.059 0.009 0.000 0.910 64 L HN 0.789 nan 8.230 nan 0.000 0.439 65 E N -0.228 119.964 120.200 -0.012 0.000 2.413 65 E HA 0.374 4.724 4.350 0.000 0.000 0.277 65 E C -2.510 174.072 176.600 -0.030 0.000 0.958 65 E CA -1.541 54.849 56.400 -0.017 0.000 0.779 65 E CB 0.773 30.464 29.700 -0.014 0.000 1.278 65 E HN -0.114 nan 8.360 nan 0.000 0.456 66 P HA 0.328 nan 4.420 nan 0.000 0.225 66 P C -0.678 176.575 177.300 -0.078 0.000 1.768 66 P CA 0.045 63.115 63.100 -0.049 0.000 0.943 66 P CB -0.420 31.260 31.700 -0.032 0.000 1.936 67 V N 1.031 120.885 119.914 -0.100 0.000 2.709 67 V HA 0.343 4.463 4.120 0.000 0.000 0.308 67 V C 0.072 176.029 176.094 -0.228 0.000 1.062 67 V CA -0.902 61.300 62.300 -0.163 0.000 0.901 67 V CB 2.842 34.608 31.823 -0.094 0.000 1.003 67 V HN -0.086 nan 8.190 nan 0.000 0.425 68 V N 4.033 123.669 119.914 -0.463 0.000 2.459 68 V HA 0.471 4.591 4.120 0.000 0.000 0.295 68 V C -0.122 175.738 176.094 -0.391 0.000 1.029 68 V CA -0.909 61.108 62.300 -0.471 0.000 0.874 68 V CB 1.913 33.310 31.823 -0.711 0.000 0.985 68 V HN 0.818 nan 8.190 nan 0.000 0.438 69 K N 4.632 124.939 120.400 -0.155 0.000 2.292 69 K HA 0.417 4.737 4.320 0.000 0.000 0.270 69 K C -1.015 175.584 176.600 -0.001 0.000 1.062 69 K CA -0.342 55.925 56.287 -0.033 0.000 0.916 69 K CB 1.294 33.794 32.500 -0.000 0.000 1.166 69 K HN 0.521 nan 8.250 nan 0.000 0.458 70 F N 4.212 124.169 119.950 0.012 0.000 2.424 70 F HA 0.071 4.598 4.527 0.000 0.000 0.356 70 F C 0.413 176.172 175.800 -0.068 0.000 1.110 70 F CA -0.270 57.739 58.000 0.016 0.000 1.161 70 F CB 0.635 39.717 39.000 0.136 0.000 1.115 70 F HN 0.501 nan 8.300 nan 0.000 0.507 71 E N 4.911 124.863 120.200 -0.412 0.000 2.312 71 E HA 0.486 4.836 4.350 0.000 0.000 0.267 71 E C -1.948 174.402 176.600 -0.416 0.000 0.894 71 E CA -0.790 55.478 56.400 -0.220 0.000 0.773 71 E CB 2.063 31.685 29.700 -0.129 0.000 1.241 71 E HN 0.423 nan 8.360 nan 0.000 0.432 72 F N 1.549 121.460 119.950 -0.065 0.000 2.493 72 F HA 0.512 5.039 4.527 0.000 0.000 0.329 72 F C -0.355 175.406 175.800 -0.064 0.000 1.126 72 F CA -0.736 57.256 58.000 -0.014 0.000 0.937 72 F CB 1.725 40.782 39.000 0.094 0.000 1.146 72 F HN 0.349 nan 8.300 nan 0.000 0.442 73 I N 3.657 124.215 120.570 -0.020 0.000 2.468 73 I HA 0.438 4.608 4.170 0.000 0.000 0.285 73 I C -0.231 175.768 176.117 -0.198 0.000 1.039 73 I CA -0.771 60.376 61.300 -0.255 0.000 1.074 73 I CB 1.989 39.666 38.000 -0.538 0.000 1.228 73 I HN 0.510 nan 8.210 nan 0.000 0.436 77 D N 0.905 121.317 120.400 0.020 0.000 2.381 77 D HA 0.437 5.077 4.640 0.000 0.000 0.245 77 D C -1.321 174.979 176.300 -0.001 0.000 1.297 77 D CA -0.056 53.959 54.000 0.025 0.000 0.931 77 D CB 0.781 41.599 40.800 0.030 0.000 1.334 77 D HN -0.067 nan 8.370 nan 0.000 0.535 78 S N 1.628 117.313 115.700 -0.025 0.000 2.640 78 S HA 0.382 4.852 4.470 0.000 0.000 0.320 78 S C 0.115 174.622 174.600 -0.154 0.000 1.097 78 S CA -0.855 57.211 58.200 -0.223 0.000 1.092 78 S CB 1.172 64.381 63.200 0.015 0.000 0.988 78 S HN 0.485 nan 8.310 nan 0.000 0.470 79 T N 0.617 115.031 114.554 -0.234 0.000 2.908 79 T HA 0.438 4.788 4.350 0.000 0.000 0.301 79 T C 1.539 176.168 174.700 -0.118 0.000 1.019 79 T CA 0.502 62.521 62.100 -0.135 0.000 1.152 79 T CB 0.351 69.137 68.868 -0.135 0.000 0.966 79 T HN 1.309 nan 8.240 nan 0.000 0.540 80 G N 2.652 111.405 108.800 -0.077 0.000 2.550 80 G HA2 -0.313 3.647 3.960 0.000 0.000 0.233 80 G HA3 -0.313 3.647 3.960 0.000 0.000 0.233 80 G C 0.555 175.423 174.900 -0.052 0.000 1.170 80 G CA 0.550 45.589 45.100 -0.101 0.000 0.693 80 G HN 0.676 nan 8.290 nan 0.000 0.512 81 F N 1.518 121.514 119.950 0.078 0.000 2.622 81 F HA 0.494 5.021 4.527 0.000 0.000 0.288 81 F C 2.041 177.896 175.800 0.091 0.000 1.120 81 F CA 1.407 59.420 58.000 0.022 0.000 1.423 81 F CB 0.144 39.125 39.000 -0.032 0.000 1.127 81 F HN 1.162 nan 8.300 nan 0.000 0.588 82 G N 0.037 109.038 108.800 0.334 0.000 2.443 82 G HA2 -0.140 3.820 3.960 0.000 0.000 0.209 82 G HA3 -0.140 3.820 3.960 0.000 0.000 0.209 82 G C -1.448 173.647 174.900 0.325 0.000 1.176 82 G CA -0.311 44.952 45.100 0.273 0.000 1.074 82 G HN 0.155 nan 8.290 nan 0.000 0.577 83 D N 0.640 121.211 120.400 0.285 0.000 2.453 83 D HA 0.638 5.278 4.640 0.000 0.000 0.238 83 D C -0.374 176.086 176.300 0.266 0.000 1.088 83 D CA -0.306 53.806 54.000 0.186 0.000 0.854 83 D CB 0.336 41.200 40.800 0.108 0.000 1.076 83 D HN 0.865 nan 8.370 nan 0.000 0.533 84 Y N -0.408 119.926 120.300 0.057 0.000 2.705 84 Y HA 0.719 5.270 4.550 0.000 0.000 0.332 84 Y C -1.240 174.676 175.900 0.026 0.000 1.221 84 Y CA -1.070 57.052 58.100 0.036 0.000 1.059 84 Y CB 0.876 39.347 38.460 0.017 0.000 1.298 84 Y HN 0.038 nan 8.280 nan 0.000 0.459 85 T N 1.525 116.187 114.554 0.180 0.000 2.907 85 T HA 0.511 4.861 4.350 0.000 0.000 0.292 85 T C -1.561 173.223 174.700 0.139 0.000 1.043 85 T CA -0.791 61.361 62.100 0.088 0.000 1.003 85 T CB 2.173 71.113 68.868 0.120 0.000 1.084 85 T HN 0.733 nan 8.240 nan 0.000 0.483 86 E N 0.789 121.018 120.200 0.048 0.000 2.367 86 E HA 0.631 4.981 4.350 0.000 0.000 0.273 86 E C -1.637 174.919 176.600 -0.074 0.000 0.903 86 E CA -0.609 55.787 56.400 -0.007 0.000 0.764 86 E CB 2.437 32.073 29.700 -0.107 0.000 1.252 86 E HN 0.608 nan 8.360 nan 0.000 0.446 87 S N 1.178 116.800 115.700 -0.131 0.000 2.537 87 S HA 0.878 5.348 4.470 0.000 0.000 0.270 87 S C -0.868 173.553 174.600 -0.297 0.000 1.142 87 S CA 0.282 58.237 58.200 -0.409 0.000 0.870 87 S CB 1.428 64.215 63.200 -0.688 0.000 1.112 87 S HN 0.806 nan 8.310 nan 0.000 0.466 88 G N 1.991 110.430 108.800 -0.602 0.000 2.428 88 G HA2 0.481 4.441 3.960 0.000 0.000 0.304 88 G HA3 0.481 4.441 3.960 0.000 0.000 0.304 88 G C -2.302 172.173 174.900 -0.709 0.000 1.303 88 G CA -0.656 44.153 45.100 -0.485 0.000 0.825 88 G HN 0.702 nan 8.290 nan 0.000 0.484 89 Q N -0.718 118.845 119.800 -0.396 0.000 2.333 89 Q HA 0.666 5.006 4.340 0.000 0.000 0.267 89 Q C -0.977 174.914 176.000 -0.181 0.000 1.012 89 Q CA -0.780 54.858 55.803 -0.276 0.000 0.824 89 Q CB 3.015 31.691 28.738 -0.103 0.000 1.290 89 Q HN 0.385 nan 8.270 nan 0.000 0.449 90 V N 2.394 122.227 119.914 -0.135 0.000 2.656 90 V HA 0.518 4.638 4.120 0.000 0.000 0.307 90 V C -0.570 175.500 176.094 -0.041 0.000 1.051 90 V CA -0.829 61.424 62.300 -0.079 0.000 0.893 90 V CB 2.095 33.891 31.823 -0.044 0.000 0.999 90 V HN 0.510 nan 8.190 nan 0.000 0.426 91 V N 5.681 125.608 119.914 0.022 0.000 2.513 91 V HA 0.489 4.609 4.120 0.000 0.000 0.299 91 V C -2.355 173.790 176.094 0.084 0.000 1.035 91 V CA -2.018 60.309 62.300 0.045 0.000 0.889 91 V CB 2.234 34.117 31.823 0.100 0.000 0.988 91 V HN 0.758 nan 8.190 nan 0.000 0.440 92 P HA 0.367 nan 4.420 nan 0.000 0.282 92 P C -0.812 176.522 177.300 0.056 0.000 1.262 92 P CA 0.016 63.151 63.100 0.060 0.000 0.773 92 P CB 1.529 33.246 31.700 0.028 0.000 0.879 93 V N 1.331 121.296 119.914 0.085 0.000 3.160 93 V HA 0.731 4.851 4.120 0.000 0.000 0.310 93 V C -0.753 175.366 176.094 0.041 0.000 1.181 93 V CA -1.337 60.984 62.300 0.034 0.000 1.047 93 V CB 2.600 34.412 31.823 -0.018 0.000 1.068 93 V HN 0.486 nan 8.190 nan 0.000 0.441 94 R N 0.841 121.327 120.500 -0.023 0.000 2.561 94 R HA 0.597 4.937 4.340 0.000 0.000 0.297 94 R C -2.406 173.844 176.300 -0.083 0.000 0.969 94 R CA -0.590 55.502 56.100 -0.014 0.000 0.879 94 R CB 1.909 32.202 30.300 -0.012 0.000 1.178 94 R HN 0.948 nan 8.270 nan 0.000 0.445 95 Y N 3.765 123.900 120.300 -0.276 0.000 2.346 95 Y HA 0.222 4.772 4.550 0.000 0.000 0.332 95 Y C -0.452 175.369 175.900 -0.132 0.000 0.985 95 Y CA -0.655 57.229 58.100 -0.361 0.000 1.112 95 Y CB 1.336 39.273 38.460 -0.872 0.000 1.170 95 Y HN 0.781 nan 8.280 nan 0.000 0.447 96 K N 4.429 124.452 120.400 -0.629 0.000 3.035 96 K HA -0.248 4.072 4.320 0.000 0.000 0.262 96 K C 0.848 177.368 176.600 -0.133 0.000 1.024 96 K CA 1.079 57.136 56.287 -0.383 0.000 0.748 96 K CB -1.592 30.688 32.500 -0.367 0.000 1.247 96 K HN 1.351 nan 8.250 nan 0.000 0.482 97 G N 0.318 109.058 108.800 -0.100 0.000 2.162 97 G HA2 -0.347 3.613 3.960 0.000 0.000 0.260 97 G HA3 -0.347 3.613 3.960 0.000 0.000 0.260 97 G C -0.222 174.702 174.900 0.039 0.000 0.976 97 G CA 0.600 45.684 45.100 -0.027 0.000 0.655 97 G HN 0.526 nan 8.290 nan 0.000 0.533 98 E N 0.636 120.894 120.200 0.095 0.000 2.151 98 E HA 0.451 4.801 4.350 0.000 0.000 0.275 98 E C -0.035 176.706 176.600 0.234 0.000 0.936 98 E CA -0.605 55.911 56.400 0.192 0.000 0.777 98 E CB 0.664 30.547 29.700 0.304 0.000 1.108 98 E HN 0.458 nan 8.360 nan 0.000 0.401 99 E N 2.234 122.545 120.200 0.185 0.000 2.289 99 E HA 0.414 4.765 4.350 0.000 0.000 0.278 99 E C -0.090 176.657 176.600 0.244 0.000 1.032 99 E CA -0.160 56.346 56.400 0.177 0.000 0.854 99 E CB 1.536 31.298 29.700 0.103 0.000 1.046 99 E HN 0.662 nan 8.360 nan 0.000 0.409 100 G N 1.386 110.368 108.800 0.304 0.000 2.664 100 G HA2 0.597 4.557 3.960 0.000 0.000 0.303 100 G HA3 0.597 4.557 3.960 0.000 0.000 0.303 100 G C -1.006 174.047 174.900 0.254 0.000 1.243 100 G CA -0.312 44.956 45.100 0.281 0.000 0.826 100 G HN 0.551 nan 8.290 nan 0.000 0.498 101 G N -1.133 107.810 108.800 0.237 0.000 2.495 101 G HA2 0.575 4.535 3.960 0.000 0.000 0.318 101 G HA3 0.575 4.535 3.960 0.000 0.000 0.318 101 G C -1.956 173.136 174.900 0.320 0.000 1.257 101 G CA -0.531 44.694 45.100 0.209 0.000 0.962 101 G HN 0.638 nan 8.290 nan 0.000 0.483 102 F N 2.214 122.220 119.950 0.095 0.000 2.402 102 F HA 0.517 5.044 4.527 0.000 0.000 0.355 102 F C 0.349 176.151 175.800 0.004 0.000 1.123 102 F CA -0.748 57.287 58.000 0.059 0.000 1.021 102 F CB 1.770 40.783 39.000 0.021 0.000 1.160 102 F HN 0.311 nan 8.300 nan 0.000 0.451 103 T N 7.873 122.150 114.554 -0.461 0.000 2.761 103 T HA 0.243 4.594 4.350 0.000 0.000 0.296 103 T C 1.564 175.883 174.700 -0.635 0.000 0.934 103 T CA -0.127 61.733 62.100 -0.400 0.000 1.091 103 T CB 0.365 69.117 68.868 -0.194 0.000 0.896 103 T HN 0.632 nan 8.240 nan 0.000 0.515 104 I N 0.678 121.006 120.570 -0.404 0.000 3.939 104 I HA 0.315 4.485 4.170 0.000 0.000 0.313 104 I C 0.833 176.822 176.117 -0.213 0.000 1.274 104 I CA -0.373 60.741 61.300 -0.311 0.000 1.301 104 I CB 0.341 38.261 38.000 -0.133 0.000 1.105 104 I HN 0.548 nan 8.210 nan 0.000 0.427 108 L N 2.303 123.583 121.223 0.095 0.000 2.350 108 L HA 0.553 4.893 4.340 0.000 0.000 0.260 108 L C 0.292 177.198 176.870 0.060 0.000 1.015 108 L CA -0.731 54.142 54.840 0.056 0.000 0.821 108 L CB 1.499 43.520 42.059 -0.063 0.000 1.370 108 L HN 0.593 nan 8.230 nan 0.000 0.416 109 D N -1.152 119.296 120.400 0.080 0.000 2.388 109 D HA 0.122 4.762 4.640 0.000 0.000 0.221 109 D C -0.196 176.127 176.300 0.039 0.000 1.133 109 D CA -0.068 53.969 54.000 0.063 0.000 0.831 109 D CB 0.279 41.130 40.800 0.084 0.000 0.962 109 D HN 0.273 nan 8.370 nan 0.000 0.502 110 C N 0.243 119.527 119.300 -0.026 0.000 2.608 110 C HA 0.304 4.765 4.460 0.000 0.000 0.325 110 C C 1.223 176.148 174.990 -0.108 0.000 1.147 110 C CA -0.675 58.306 59.018 -0.062 0.000 1.359 110 C CB 0.802 28.475 27.740 -0.111 0.000 1.912 110 C HN 0.503 nan 8.230 nan 0.000 0.466 111 H N 3.372 122.379 119.070 -0.105 0.000 2.395 111 H HA -0.043 4.513 4.556 0.000 0.000 0.299 111 H C 1.862 177.131 175.328 -0.099 0.000 1.070 111 H CA 1.956 57.950 56.048 -0.091 0.000 1.356 111 H CB 0.357 30.100 29.762 -0.032 0.000 1.401 111 H HN 0.874 nan 8.280 nan 0.000 0.524 112 A N 2.078 124.799 122.820 -0.164 0.000 1.884 112 A HA -0.170 4.150 4.320 0.000 0.000 0.219 112 A C -0.126 177.249 177.584 -0.348 0.000 1.197 112 A CA 2.075 54.053 52.037 -0.098 0.000 0.637 112 A CB -1.534 17.548 19.000 0.137 0.000 0.827 112 A HN 0.486 nan 8.150 nan 0.000 0.450 113 P HA -0.067 nan 4.420 nan 0.000 0.219 113 P C 1.539 178.350 177.300 -0.814 0.000 1.150 113 P CA 0.910 63.204 63.100 -1.342 0.000 0.814 113 P CB -0.201 30.599 31.700 -1.499 0.000 0.787 114 I N 0.419 120.646 120.570 -0.572 0.000 2.099 114 I HA -0.271 3.899 4.170 0.000 0.000 0.239 114 I C 2.591 178.484 176.117 -0.373 0.000 1.066 114 I CA 1.883 62.955 61.300 -0.381 0.000 1.324 114 I CB -1.023 36.859 38.000 -0.196 0.000 1.037 114 I HN -0.077 nan 8.210 nan 0.000 0.401 115 A N 0.839 123.342 122.820 -0.527 0.000 1.877 115 A HA -0.106 4.214 4.320 0.000 0.000 0.216 115 A C 2.433 179.706 177.584 -0.517 0.000 1.186 115 A CA 1.898 53.713 52.037 -0.370 0.000 0.620 115 A CB -1.495 17.342 19.000 -0.273 0.000 0.822 115 A HN 0.485 nan 8.150 nan 0.000 0.443 116 G N -0.553 107.755 108.800 -0.820 0.000 2.421 116 G HA2 0.010 3.970 3.960 0.000 0.000 0.216 116 G HA3 0.010 3.970 3.960 0.000 0.000 0.216 116 G C 1.567 176.270 174.900 -0.329 0.000 1.171 116 G CA 1.313 45.761 45.100 -1.088 0.000 0.775 116 G HN 0.724 nan 8.290 nan 0.000 0.543 117 G N 0.585 109.295 108.800 -0.150 0.000 2.446 117 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 117 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 117 G C 1.981 177.059 174.900 0.296 0.000 1.168 117 G CA 0.955 46.211 45.100 0.260 0.000 0.771 117 G HN 0.462 nan 8.290 nan 0.000 0.551 118 R N 0.176 120.697 120.500 0.034 0.000 2.075 118 R HA 0.030 4.371 4.340 0.000 0.000 0.232 118 R C 2.523 178.815 176.300 -0.013 0.000 1.126 118 R CA 1.400 57.512 56.100 0.021 0.000 0.963 118 R CB -0.175 30.109 30.300 -0.027 0.000 0.858 118 R HN 0.439 nan 8.270 nan 0.000 0.435 119 E N -0.045 120.098 120.200 -0.094 0.000 2.250 119 E HA -0.000 4.350 4.350 0.000 0.000 0.192 119 E C 1.755 178.250 176.600 -0.175 0.000 0.986 119 E CA 0.547 56.880 56.400 -0.111 0.000 0.849 119 E CB 0.259 29.913 29.700 -0.077 0.000 0.797 119 E HN 0.284 nan 8.360 nan 0.000 0.482 120 I N -0.275 120.131 120.570 -0.274 0.000 2.405 120 I HA -0.098 4.072 4.170 0.000 0.000 0.236 120 I C 1.997 177.906 176.117 -0.346 0.000 1.071 120 I CA 0.623 61.645 61.300 -0.464 0.000 1.398 120 I CB -0.141 37.289 38.000 -0.950 0.000 1.162 120 I HN 0.179 nan 8.210 nan 0.000 0.432 121 W N 0.528 121.855 121.300 0.045 0.000 2.576 121 W HA 0.246 4.906 4.660 0.000 0.000 0.275 121 W C 1.375 177.787 176.519 -0.178 0.000 1.241 121 W CA 0.936 58.240 57.345 -0.069 0.000 1.328 121 W CB -0.408 28.952 29.460 -0.167 0.000 1.092 121 W HN 0.430 nan 8.180 nan 0.000 0.586 122 G N 0.304 109.163 108.800 0.098 0.000 2.131 122 G HA2 -0.251 3.709 3.960 0.000 0.000 0.201 122 G HA3 -0.251 3.709 3.960 0.000 0.000 0.201 122 G C -0.273 174.592 174.900 -0.058 0.000 1.000 122 G CA -0.735 44.366 45.100 0.001 0.000 0.680 122 G HN 0.004 nan 8.290 nan 0.000 0.514 123 F N 1.953 121.912 119.950 0.014 0.000 2.572 123 F HA 0.354 4.881 4.527 0.000 0.000 0.370 123 F C -0.173 175.541 175.800 -0.144 0.000 1.103 123 F CA -0.709 57.230 58.000 -0.103 0.000 1.286 123 F CB 0.445 39.360 39.000 -0.142 0.000 1.105 123 F HN 0.048 nan 8.300 nan 0.000 0.583 127 L N 1.378 122.660 121.223 0.098 0.000 2.292 127 L HA 0.746 5.086 4.340 0.000 0.000 0.284 127 L C -0.677 176.211 176.870 0.029 0.000 1.065 127 L CA 0.504 55.377 54.840 0.055 0.000 0.806 127 L CB 1.119 43.181 42.059 0.004 0.000 1.175 127 L HN 0.851 nan 8.230 nan 0.000 0.431 128 A N 3.935 126.786 122.820 0.051 0.000 2.594 128 A HA 0.730 5.050 4.320 0.000 0.000 0.307 128 A C -1.355 176.241 177.584 0.019 0.000 1.203 128 A CA -0.674 51.354 52.037 -0.015 0.000 0.644 128 A CB 1.095 20.169 19.000 0.123 0.000 1.349 128 A HN 0.361 nan 8.150 nan 0.000 0.510 129 K N 1.449 121.864 120.400 0.025 0.000 2.679 129 K HA 0.403 4.723 4.320 0.000 0.000 0.188 129 K C -2.952 173.716 176.600 0.114 0.000 1.055 129 K CA -1.671 54.649 56.287 0.056 0.000 1.006 129 K CB 1.010 33.525 32.500 0.025 0.000 1.317 129 K HN 0.418 nan 8.250 nan 0.000 0.584 130 P HA 0.312 nan 4.420 nan 0.000 0.282 130 P C -0.685 176.768 177.300 0.254 0.000 1.249 130 P CA -0.457 62.801 63.100 0.264 0.000 0.806 130 P CB 1.329 33.179 31.700 0.251 0.000 0.984 131 K N 1.689 122.277 120.400 0.312 0.000 2.468 131 K HA 0.571 4.891 4.320 0.000 0.000 0.252 131 K C -1.395 175.351 176.600 0.243 0.000 0.932 131 K CA -0.911 55.533 56.287 0.261 0.000 0.794 131 K CB 2.186 34.828 32.500 0.237 0.000 1.241 131 K HN 0.279 nan 8.250 nan 0.000 0.428 132 L N 4.893 126.253 121.223 0.227 0.000 2.376 132 L HA 0.639 4.980 4.340 0.000 0.000 0.275 132 L C -1.597 175.382 176.870 0.181 0.000 0.987 132 L CA -0.337 54.558 54.840 0.091 0.000 0.828 132 L CB 0.873 42.989 42.059 0.096 0.000 1.249 132 L HN 0.623 nan 8.230 nan 0.000 0.409 133 F N 3.271 123.167 119.950 -0.090 0.000 2.713 133 F HA 0.792 5.319 4.527 0.000 0.000 0.311 133 F C -1.667 174.063 175.800 -0.117 0.000 1.141 133 F CA -1.265 56.686 58.000 -0.081 0.000 0.939 133 F CB 0.993 39.955 39.000 -0.064 0.000 1.325 133 F HN 0.096 nan 8.300 nan 0.000 0.453 134 V N 1.279 121.176 119.914 -0.028 0.000 2.472 134 V HA 0.497 4.617 4.120 0.000 0.000 0.290 134 V C -0.704 175.376 176.094 -0.022 0.000 1.037 134 V CA -0.496 61.716 62.300 -0.147 0.000 0.908 134 V CB 1.434 33.131 31.823 -0.210 0.000 0.985 134 V HN 0.864 nan 8.190 nan 0.000 0.454 135 E N 3.842 123.984 120.200 -0.097 0.000 2.402 135 E HA 0.460 4.811 4.350 0.000 0.000 0.244 135 E C 0.030 176.584 176.600 -0.077 0.000 0.945 135 E CA -0.257 56.138 56.400 -0.008 0.000 0.774 135 E CB 0.789 30.528 29.700 0.064 0.000 1.296 135 E HN 0.740 nan 8.360 nan 0.000 0.414 136 E N 1.913 122.056 120.200 -0.095 0.000 3.242 136 E HA -0.309 4.041 4.350 0.000 0.000 0.415 136 E C 0.207 176.714 176.600 -0.156 0.000 1.511 136 E CA 2.402 58.739 56.400 -0.106 0.000 1.206 136 E CB -0.899 28.766 29.700 -0.059 0.000 1.484 136 E HN 0.794 nan 8.360 nan 0.000 0.468 137 D N 0.161 120.504 120.400 -0.096 0.000 2.363 137 D HA 0.161 4.801 4.640 0.000 0.000 0.214 137 D C -0.221 176.070 176.300 -0.015 0.000 1.093 137 D CA 0.374 54.345 54.000 -0.048 0.000 0.837 137 D CB 0.298 41.106 40.800 0.013 0.000 0.948 137 D HN 0.164 nan 8.370 nan 0.000 0.507 138 T N 0.909 115.408 114.554 -0.093 0.000 2.861 138 T HA 0.417 4.767 4.350 0.000 0.000 0.287 138 T C -0.831 173.738 174.700 -0.219 0.000 1.003 138 T CA -0.728 61.294 62.100 -0.130 0.000 0.977 138 T CB 2.200 70.987 68.868 -0.135 0.000 0.996 138 T HN 0.012 nan 8.240 nan 0.000 0.448 139 L N 4.440 125.487 121.223 -0.294 0.000 2.276 139 L HA 0.655 4.995 4.340 0.000 0.000 0.286 139 L C -1.146 175.368 176.870 -0.593 0.000 1.061 139 L CA -0.126 54.416 54.840 -0.498 0.000 0.807 139 L CB 0.043 41.655 42.059 -0.746 0.000 1.177 139 L HN 0.599 nan 8.230 nan 0.000 0.429 140 I N 4.236 124.390 120.570 -0.695 0.000 2.569 140 I HA 0.600 4.771 4.170 0.000 0.000 0.296 140 I C 0.254 175.970 176.117 -0.669 0.000 1.028 140 I CA -0.634 60.266 61.300 -0.667 0.000 1.082 140 I CB 2.107 39.546 38.000 -0.934 0.000 1.264 140 I HN 0.716 nan 8.210 nan 0.000 0.429 141 G N 6.509 114.987 108.800 -0.536 0.000 2.557 141 G HA2 0.777 4.737 3.960 0.000 0.000 0.310 141 G HA3 0.777 4.737 3.960 0.000 0.000 0.310 141 G C -1.032 173.393 174.900 -0.792 0.000 1.328 141 G CA -0.322 44.064 45.100 -1.190 0.000 0.945 141 G HN 0.450 nan 8.290 nan 0.000 0.494 142 I N 2.400 122.812 120.570 -0.263 0.000 2.447 142 I HA 0.273 4.444 4.170 0.000 0.000 0.287 142 I C -1.049 175.307 176.117 0.399 0.000 1.023 142 I CA -0.872 60.519 61.300 0.151 0.000 1.083 142 I CB 2.342 40.447 38.000 0.175 0.000 1.245 142 I HN 0.277 nan 8.210 nan 0.000 0.434 143 L N 8.070 129.560 121.223 0.445 0.000 2.276 143 L HA 0.470 4.810 4.340 0.000 0.000 0.286 143 L C -0.497 176.454 176.870 0.135 0.000 1.024 143 L CA -0.120 54.893 54.840 0.287 0.000 0.826 143 L CB 0.783 42.955 42.059 0.188 0.000 1.211 143 L HN 0.487 nan 8.230 nan 0.000 0.422 144 K N 4.499 124.961 120.400 0.103 0.000 2.244 144 K HA 0.316 4.636 4.320 0.000 0.000 0.260 144 K C -1.933 174.696 176.600 0.049 0.000 0.951 144 K CA -0.690 55.640 56.287 0.071 0.000 0.826 144 K CB 1.173 33.710 32.500 0.060 0.000 1.108 144 K HN 0.617 nan 8.250 nan 0.000 0.433 145 Y N 4.646 124.900 120.300 -0.077 0.000 2.376 145 Y HA 0.325 4.875 4.550 0.000 0.000 0.326 145 Y C 0.463 176.339 175.900 -0.039 0.000 0.970 145 Y CA 0.794 58.817 58.100 -0.129 0.000 1.248 145 Y CB 1.030 39.293 38.460 -0.327 0.000 1.117 145 Y HN 1.022 nan 8.280 nan 0.000 0.476 146 G N 2.783 111.483 108.800 -0.165 0.000 2.591 146 G HA2 -0.362 3.598 3.960 0.000 0.000 0.298 146 G HA3 -0.362 3.598 3.960 0.000 0.000 0.298 146 G C 1.045 175.968 174.900 0.038 0.000 1.195 146 G CA 0.510 45.591 45.100 -0.032 0.000 0.989 146 G HN 0.619 nan 8.290 nan 0.000 0.551 147 S N 0.198 115.949 115.700 0.084 0.000 2.562 147 S HA 0.284 4.754 4.470 0.000 0.000 0.221 147 S C 0.706 175.345 174.600 0.064 0.000 0.975 147 S CA 0.917 59.151 58.200 0.057 0.000 0.918 147 S CB -0.041 63.187 63.200 0.048 0.000 0.772 147 S HN 0.453 nan 8.310 nan 0.000 0.531 148 I N 2.280 122.923 120.570 0.121 0.000 2.339 148 I HA 0.252 4.423 4.170 0.000 0.000 0.290 148 I C -0.675 175.495 176.117 0.088 0.000 0.994 148 I CA -0.802 60.564 61.300 0.110 0.000 1.191 148 I CB 1.162 39.289 38.000 0.212 0.000 1.343 148 I HN -0.186 nan 8.210 nan 0.000 0.458 149 D N 6.751 127.163 120.400 0.020 0.000 2.344 149 D HA 0.171 4.811 4.640 0.000 0.000 0.253 149 D C 1.283 177.628 176.300 0.073 0.000 1.255 149 D CA 0.238 54.260 54.000 0.036 0.000 0.894 149 D CB 0.840 41.641 40.800 0.001 0.000 1.067 149 D HN 0.556 nan 8.370 nan 0.000 0.492 150 I N -0.470 120.164 120.570 0.107 0.000 3.854 150 I HA 0.400 4.571 4.170 0.000 0.000 0.312 150 I C 0.492 176.669 176.117 0.099 0.000 1.273 150 I CA -0.169 61.202 61.300 0.119 0.000 1.298 150 I CB 0.520 38.527 38.000 0.012 0.000 1.071 150 I HN 0.136 nan 8.210 nan 0.000 0.428 151 A N 1.585 124.470 122.820 0.108 0.000 2.488 151 A HA 0.787 5.107 4.320 0.000 0.000 0.295 151 A C -1.346 176.322 177.584 0.140 0.000 1.045 151 A CA -0.330 51.727 52.037 0.033 0.000 0.703 151 A CB 1.161 20.110 19.000 -0.085 0.000 1.271 151 A HN 0.197 nan 8.150 nan 0.000 0.400 152 I N 1.564 122.158 120.570 0.040 0.000 2.447 152 I HA 0.661 4.832 4.170 0.000 0.000 0.287 152 I C 0.329 176.427 176.117 -0.031 0.000 1.023 152 I CA -0.222 61.099 61.300 0.036 0.000 1.083 152 I CB 1.994 40.021 38.000 0.046 0.000 1.245 152 I HN 0.784 nan 8.210 nan 0.000 0.434 153 A N 4.072 126.874 122.820 -0.030 0.000 2.355 153 A HA 0.959 5.279 4.320 0.000 0.000 0.317 153 A C -0.084 177.557 177.584 0.096 0.000 1.094 153 A CA -0.345 51.690 52.037 -0.003 0.000 0.764 153 A CB 1.279 20.239 19.000 -0.067 0.000 1.230 153 A HN 0.725 nan 8.150 nan 0.000 0.448 157 Y N 3.414 123.607 120.300 -0.179 0.000 2.770 157 Y HA 0.173 4.723 4.550 0.000 0.000 0.342 157 Y C 1.530 177.444 175.900 0.024 0.000 1.221 157 Y CA 0.876 58.909 58.100 -0.113 0.000 1.560 157 Y CB 0.200 38.594 38.460 -0.110 0.000 1.213 157 Y HN 0.696 nan 8.280 nan 0.000 0.525 158 K N 4.272 124.359 120.400 -0.522 0.000 3.177 158 K HA -0.360 3.960 4.320 0.000 0.000 0.266 158 K C 0.756 177.363 176.600 0.011 0.000 0.937 158 K CA 1.095 57.094 56.287 -0.480 0.000 0.702 158 K CB -1.176 30.530 32.500 -1.324 0.000 1.365 158 K HN 0.918 nan 8.250 nan 0.000 0.466 159 H N -0.392 118.667 119.070 -0.019 0.000 2.353 159 H HA -0.021 4.535 4.556 0.000 0.000 0.300 159 H C 0.617 175.997 175.328 0.087 0.000 1.090 159 H CA 1.062 57.134 56.048 0.040 0.000 1.327 159 H CB 0.337 30.125 29.762 0.044 0.000 1.383 159 H HN 0.255 nan 8.280 nan 0.000 0.508 160 R N 0.122 120.784 120.500 0.270 0.000 2.698 160 R HA 0.271 4.611 4.340 0.000 0.000 0.275 160 R C -2.837 173.611 176.300 0.246 0.000 1.001 160 R CA -2.036 54.190 56.100 0.210 0.000 0.896 160 R CB 2.176 32.566 30.300 0.150 0.000 1.218 160 R HN 0.006 nan 8.270 nan 0.000 0.462 161 P HA 0.149 nan 4.420 nan 0.000 0.274 161 P C -1.090 176.185 177.300 -0.042 0.000 1.231 161 P CA -0.441 62.670 63.100 0.019 0.000 0.790 161 P CB 0.772 32.461 31.700 -0.020 0.000 0.951 162 L N 2.056 123.181 121.223 -0.164 0.000 2.365 162 L HA 0.376 4.716 4.340 0.000 0.000 0.273 162 L C -0.193 176.560 176.870 -0.195 0.000 1.000 162 L CA -0.699 54.060 54.840 -0.135 0.000 0.819 162 L CB 1.314 43.308 42.059 -0.107 0.000 1.284 162 L HN 0.252 nan 8.230 nan 0.000 0.418 163 D N 3.192 123.506 120.400 -0.145 0.000 2.426 163 D HA 0.077 4.718 4.640 0.000 0.000 0.261 163 D C 0.922 177.106 176.300 -0.194 0.000 1.245 163 D CA 0.734 54.645 54.000 -0.148 0.000 0.917 163 D CB 1.418 42.154 40.800 -0.107 0.000 1.123 163 D HN 0.681 nan 8.370 nan 0.000 0.508 164 A N 4.197 126.892 122.820 -0.209 0.000 2.015 164 A HA -0.183 4.137 4.320 0.000 0.000 0.219 164 A C 1.909 179.373 177.584 -0.199 0.000 1.163 164 A CA 1.421 53.318 52.037 -0.233 0.000 0.646 164 A CB -0.273 18.601 19.000 -0.210 0.000 0.806 164 A HN 0.592 nan 8.150 nan 0.000 0.448 165 E N 0.297 120.404 120.200 -0.153 0.000 2.107 165 E HA -0.089 4.261 4.350 0.000 0.000 0.191 165 E C 2.098 178.616 176.600 -0.138 0.000 0.982 165 E CA 1.587 57.912 56.400 -0.125 0.000 0.809 165 E CB -0.157 29.488 29.700 -0.093 0.000 0.756 165 E HN 0.353 nan 8.360 nan 0.000 0.459 166 K N -0.647 119.665 120.400 -0.147 0.000 2.097 166 K HA -0.003 4.318 4.320 0.000 0.000 0.205 166 K C 2.254 178.726 176.600 -0.214 0.000 1.050 166 K CA 0.999 57.197 56.287 -0.148 0.000 0.938 166 K CB -0.908 31.516 32.500 -0.127 0.000 0.718 166 K HN 0.149 nan 8.250 nan 0.000 0.442 167 V N 1.072 120.803 119.914 -0.305 0.000 2.358 167 V HA -0.165 3.955 4.120 0.000 0.000 0.246 167 V C 2.241 178.089 176.094 -0.410 0.000 1.047 167 V CA 1.715 63.715 62.300 -0.501 0.000 1.035 167 V CB -0.582 30.790 31.823 -0.752 0.000 0.658 167 V HN 0.297 nan 8.190 nan 0.000 0.452 168 L N 0.736 121.790 121.223 -0.281 0.000 2.046 168 L HA -0.169 4.171 4.340 0.000 0.000 0.208 168 L C 2.528 179.312 176.870 -0.144 0.000 1.077 168 L CA 2.186 56.913 54.840 -0.190 0.000 0.747 168 L CB -0.759 41.221 42.059 -0.132 0.000 0.896 168 L HN 0.317 nan 8.230 nan 0.000 0.432 169 E N -1.256 118.866 120.200 -0.130 0.000 2.110 169 E HA -0.219 4.131 4.350 0.000 0.000 0.193 169 E C 2.411 178.959 176.600 -0.086 0.000 0.988 169 E CA 1.062 57.409 56.400 -0.088 0.000 0.804 169 E CB -0.882 28.773 29.700 -0.075 0.000 0.745 169 E HN 0.727 nan 8.360 nan 0.000 0.458 170 S N -0.130 115.490 115.700 -0.133 0.000 2.356 170 S HA -0.154 4.316 4.470 0.000 0.000 0.223 170 S C 2.122 176.658 174.600 -0.105 0.000 1.032 170 S CA 1.352 59.481 58.200 -0.119 0.000 1.005 170 S CB -0.309 62.788 63.200 -0.172 0.000 0.867 170 S HN 0.318 nan 8.310 nan 0.000 0.449 171 V N 1.727 121.547 119.914 -0.157 0.000 2.626 171 V HA -0.078 4.042 4.120 0.000 0.000 0.252 171 V C 2.220 178.295 176.094 -0.032 0.000 1.067 171 V CA 1.554 63.787 62.300 -0.113 0.000 1.081 171 V CB -0.603 31.129 31.823 -0.152 0.000 0.686 171 V HN 0.439 nan 8.190 nan 0.000 0.468 172 K N 0.087 120.473 120.400 -0.024 0.000 2.439 172 K HA -0.017 4.303 4.320 0.000 0.000 0.197 172 K C 0.696 177.349 176.600 0.088 0.000 1.041 172 K CA 0.358 56.664 56.287 0.032 0.000 0.970 172 K CB -0.002 32.504 32.500 0.009 0.000 0.773 172 K HN 0.473 nan 8.250 nan 0.000 0.479 173 K N 2.166 122.594 120.400 0.047 0.000 2.382 173 K HA 0.065 4.385 4.320 0.000 0.000 0.275 173 K C -2.368 174.224 176.600 -0.013 0.000 1.009 173 K CA -1.603 54.720 56.287 0.061 0.000 0.970 173 K CB 0.219 32.742 32.500 0.039 0.000 0.934 173 K HN -0.065 nan 8.250 nan 0.000 0.479 174 P HA -0.029 nan 4.420 nan 0.000 0.269 174 P C -0.648 176.303 177.300 -0.580 0.000 1.215 174 P CA -0.166 62.573 63.100 -0.602 0.000 0.780 174 P CB 0.561 31.664 31.700 -0.996 0.000 0.898 175 V N 3.524 123.077 119.914 -0.602 0.000 2.347 175 V HA 0.266 4.386 4.120 0.000 0.000 0.280 175 V C -0.001 175.778 176.094 -0.524 0.000 1.021 175 V CA -0.229 61.831 62.300 -0.399 0.000 0.847 175 V CB -0.152 31.531 31.823 -0.233 0.000 0.990 175 V HN 0.315 nan 8.190 nan 0.000 0.444 176 F N 5.730 125.635 119.950 -0.074 0.000 2.421 176 F HA 0.772 5.299 4.527 0.000 0.000 0.337 176 F C 0.082 175.893 175.800 0.019 0.000 1.105 176 F CA -0.730 57.258 58.000 -0.020 0.000 1.049 176 F CB 1.376 40.411 39.000 0.058 0.000 1.139 176 F HN 0.193 nan 8.300 nan 0.000 0.479 177 L N 3.654 124.984 121.223 0.179 0.000 2.505 177 L HA 0.430 4.770 4.340 0.000 0.000 0.259 177 L C -1.232 175.718 176.870 0.134 0.000 0.952 177 L CA -0.713 54.138 54.840 0.018 0.000 0.840 177 L CB 2.575 44.477 42.059 -0.263 0.000 1.358 177 L HN 0.429 nan 8.230 nan 0.000 0.409 178 L N 2.969 124.281 121.223 0.148 0.000 2.261 178 L HA 0.372 4.712 4.340 0.000 0.000 0.289 178 L C 0.041 176.946 176.870 0.060 0.000 1.059 178 L CA -0.193 54.742 54.840 0.158 0.000 0.816 178 L CB 1.061 43.242 42.059 0.204 0.000 1.191 178 L HN 0.490 nan 8.230 nan 0.000 0.431 179 K N 4.007 124.442 120.400 0.058 0.000 2.268 179 K HA 0.274 4.594 4.320 0.000 0.000 0.276 179 K C -0.953 175.671 176.600 0.041 0.000 1.080 179 K CA -0.503 55.800 56.287 0.028 0.000 0.910 179 K CB 0.480 32.987 32.500 0.012 0.000 1.163 179 K HN 0.447 nan 8.250 nan 0.000 0.465 180 N N 4.981 123.699 118.700 0.030 0.000 2.483 180 N HA 0.405 5.145 4.740 0.000 0.000 0.267 180 N C -1.229 174.293 175.510 0.019 0.000 0.998 180 N CA -0.371 52.698 53.050 0.032 0.000 0.918 180 N CB 1.194 39.700 38.487 0.032 0.000 1.215 180 N HN 0.461 nan 8.380 nan 0.000 0.500 181 I N 2.319 122.901 120.570 0.019 0.000 2.499 181 I HA 0.427 4.597 4.170 0.000 0.000 0.288 181 I C -2.338 173.788 176.117 0.016 0.000 1.048 181 I CA -2.154 59.154 61.300 0.014 0.000 1.062 181 I CB 2.650 40.654 38.000 0.007 0.000 1.238 181 I HN 0.154 nan 8.210 nan 0.000 0.426 182 P HA 0.127 nan 4.420 nan 0.000 0.272 182 P C -0.885 176.423 177.300 0.014 0.000 1.230 182 P CA -0.353 62.757 63.100 0.016 0.000 0.788 182 P CB 0.561 32.271 31.700 0.016 0.000 0.949 183 N N -0.041 118.667 118.700 0.014 0.000 2.483 183 N HA 0.039 4.779 4.740 0.000 0.000 0.269 183 N C 1.091 176.608 175.510 0.012 0.000 1.209 183 N CA -0.254 52.803 53.050 0.012 0.000 0.969 183 N CB 0.569 39.062 38.487 0.011 0.000 1.173 183 N HN 0.079 nan 8.380 nan 0.000 0.475 184 V N 1.071 120.992 119.914 0.012 0.000 2.867 184 V HA -0.162 3.958 4.120 0.000 0.000 0.260 184 V C 0.909 177.010 176.094 0.012 0.000 1.099 184 V CA 2.292 64.599 62.300 0.012 0.000 1.122 184 V CB -0.806 31.024 31.823 0.011 0.000 0.708 184 V HN 0.876 nan 8.190 nan 0.000 0.490 185 D N -0.891 119.516 120.400 0.011 0.000 2.340 185 D HA 0.201 4.841 4.640 0.000 0.000 0.220 185 D C 1.512 177.819 176.300 0.011 0.000 1.039 185 D CA 0.883 54.889 54.000 0.010 0.000 0.866 185 D CB 0.134 40.940 40.800 0.009 0.000 0.913 185 D HN 0.605 nan 8.370 nan 0.000 0.523 186 G N -0.032 108.775 108.800 0.012 0.000 2.175 186 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 186 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 186 G C 0.506 175.414 174.900 0.013 0.000 0.982 186 G CA 0.512 45.619 45.100 0.013 0.000 0.641 186 G HN 0.797 nan 8.290 nan 0.000 0.527 187 T N -1.067 113.495 114.554 0.013 0.000 2.912 187 T HA 0.690 5.040 4.350 0.000 0.000 0.280 187 T C -2.715 171.995 174.700 0.016 0.000 0.989 187 T CA -1.719 60.389 62.100 0.014 0.000 0.995 187 T CB 2.353 71.229 68.868 0.013 0.000 1.077 187 T HN 0.034 nan 8.240 nan 0.000 0.531 188 P HA 0.229 nan 4.420 nan 0.000 0.271 188 P C 0.043 177.355 177.300 0.021 0.000 1.216 188 P CA -0.488 62.625 63.100 0.022 0.000 0.771 188 P CB 0.629 32.346 31.700 0.029 0.000 0.864 189 L N 4.428 125.663 121.223 0.020 0.000 2.433 189 L HA 0.258 4.598 4.340 0.000 0.000 0.200 189 L C -0.043 176.837 176.870 0.016 0.000 1.059 189 L CA 1.342 56.191 54.840 0.015 0.000 0.835 189 L CB 0.443 42.508 42.059 0.011 0.000 1.076 189 L HN 0.066 nan 8.230 nan 0.000 0.481 190 V N 1.274 121.200 119.914 0.020 0.000 2.588 190 V HA 0.411 4.531 4.120 0.000 0.000 0.304 190 V C -0.855 175.266 176.094 0.045 0.000 1.042 190 V CA -0.593 61.721 62.300 0.022 0.000 0.877 190 V CB 1.523 33.352 31.823 0.009 0.000 0.996 190 V HN 0.380 nan 8.190 nan 0.000 0.425 191 N N 3.853 122.594 118.700 0.068 0.000 2.701 191 N HA 0.355 5.095 4.740 0.000 0.000 0.258 191 N C -1.237 174.379 175.510 0.177 0.000 1.262 191 N CA -0.344 52.789 53.050 0.138 0.000 0.780 191 N CB 1.242 39.820 38.487 0.152 0.000 1.380 191 N HN 0.766 nan 8.380 nan 0.000 0.548 192 Q N 1.574 121.448 119.800 0.122 0.000 2.413 192 Q HA 0.461 4.801 4.340 0.000 0.000 0.276 192 Q C -1.343 174.706 176.000 0.080 0.000 1.099 192 Q CA -0.926 54.888 55.803 0.018 0.000 0.814 192 Q CB 3.003 31.732 28.738 -0.015 0.000 1.379 192 Q HN 0.407 nan 8.270 nan 0.000 0.436 193 L N 1.749 122.958 121.223 -0.022 0.000 2.282 193 L HA 0.493 4.833 4.340 0.000 0.000 0.288 193 L C -0.556 176.309 176.870 -0.007 0.000 1.033 193 L CA 0.159 55.011 54.840 0.020 0.000 0.807 193 L CB 1.493 43.489 42.059 -0.104 0.000 1.209 193 L HN 0.768 nan 8.230 nan 0.000 0.423 194 T N 1.726 116.300 114.554 0.034 0.000 2.940 194 T HA 0.590 4.941 4.350 0.000 0.000 0.288 194 T C -0.529 174.185 174.700 0.024 0.000 1.033 194 T CA -0.881 61.236 62.100 0.029 0.000 1.033 194 T CB 1.593 70.479 68.868 0.030 0.000 1.079 194 T HN 0.637 nan 8.240 nan 0.000 0.496 195 K N 1.110 121.497 120.400 -0.022 0.000 2.471 195 K HA 0.585 4.906 4.320 0.000 0.000 0.252 195 K C -1.420 175.052 176.600 -0.213 0.000 0.938 195 K CA -0.521 55.631 56.287 -0.224 0.000 0.796 195 K CB 1.924 34.301 32.500 -0.205 0.000 1.161 195 K HN 0.852 nan 8.250 nan 0.000 0.425 196 T N 2.635 116.981 114.554 -0.347 0.000 2.912 196 T HA 0.399 4.749 4.350 0.000 0.000 0.299 196 T C -1.597 172.914 174.700 -0.315 0.000 1.052 196 T CA -0.542 61.465 62.100 -0.155 0.000 0.996 196 T CB 0.646 69.533 68.868 0.031 0.000 1.070 196 T HN 0.332 nan 8.240 nan 0.000 0.465 197 Y N 1.532 121.838 120.300 0.011 0.000 2.328 197 Y HA 0.513 5.063 4.550 0.000 0.000 0.336 197 Y C 0.319 176.238 175.900 0.032 0.000 0.960 197 Y CA -1.178 56.920 58.100 -0.004 0.000 1.134 197 Y CB 0.883 39.345 38.460 0.004 0.000 1.166 197 Y HN 0.404 nan 8.280 nan 0.000 0.464 198 L N 3.933 125.248 121.223 0.153 0.000 2.456 198 L HA 0.303 4.643 4.340 0.000 0.000 0.272 198 L C 0.581 177.525 176.870 0.124 0.000 1.189 198 L CA 0.050 54.963 54.840 0.122 0.000 0.846 198 L CB 0.408 42.518 42.059 0.085 0.000 1.111 198 L HN 0.746 nan 8.230 nan 0.000 0.475 199 T N -2.636 111.988 114.554 0.118 0.000 2.907 199 T HA 0.333 4.683 4.350 0.000 0.000 0.290 199 T C -0.351 174.398 174.700 0.083 0.000 1.066 199 T CA -0.843 61.310 62.100 0.089 0.000 1.012 199 T CB 1.781 70.700 68.868 0.085 0.000 1.184 199 T HN 0.605 nan 8.240 nan 0.000 0.522 200 D N 0.253 120.687 120.400 0.058 0.000 2.697 200 D HA -0.128 4.512 4.640 0.000 0.000 0.235 200 D C -0.571 175.767 176.300 0.063 0.000 1.167 200 D CA 0.629 54.660 54.000 0.052 0.000 0.656 200 D CB -1.375 39.458 40.800 0.056 0.000 1.025 200 D HN 0.659 nan 8.370 nan 0.000 0.419 201 I N 0.324 120.925 120.570 0.051 0.000 2.353 201 I HA 0.175 4.345 4.170 0.000 0.000 0.293 201 I C 0.802 176.941 176.117 0.036 0.000 0.992 201 I CA -0.024 61.310 61.300 0.056 0.000 1.268 201 I CB 1.576 39.600 38.000 0.039 0.000 1.387 201 I HN -0.217 nan 8.210 nan 0.000 0.478 202 T N 5.607 120.192 114.554 0.051 0.000 2.786 202 T HA 0.363 4.713 4.350 0.000 0.000 0.283 202 T C -0.231 174.492 174.700 0.038 0.000 0.992 202 T CA -0.485 61.635 62.100 0.033 0.000 0.954 202 T CB 1.483 70.375 68.868 0.039 0.000 0.934 202 T HN 0.167 nan 8.240 nan 0.000 0.440 203 V N 5.250 125.161 119.914 -0.005 0.000 2.353 203 V HA 0.212 4.332 4.120 0.000 0.000 0.264 203 V C 1.209 177.284 176.094 -0.032 0.000 1.049 203 V CA -0.267 62.022 62.300 -0.019 0.000 0.896 203 V CB 0.664 32.420 31.823 -0.113 0.000 1.025 203 V HN 0.839 nan 8.190 nan 0.000 0.475 204 K N 3.252 123.658 120.400 0.011 0.000 2.361 204 K HA 0.334 4.654 4.320 0.000 0.000 0.196 204 K C 0.844 177.421 176.600 -0.038 0.000 1.039 204 K CA 0.624 56.919 56.287 0.014 0.000 1.001 204 K CB 0.649 33.192 32.500 0.072 0.000 0.795 204 K HN 0.820 nan 8.250 nan 0.000 0.495 205 G N 0.127 108.838 108.800 -0.149 0.000 2.556 205 G HA2 0.555 4.515 3.960 0.000 0.000 0.294 205 G HA3 0.555 4.515 3.960 0.000 0.000 0.294 205 G C -2.012 172.345 174.900 -0.906 0.000 1.516 205 G CA -0.445 44.327 45.100 -0.546 0.000 0.824 205 G HN 0.092 nan 8.290 nan 0.000 0.535 206 A N 0.769 122.676 122.820 -1.522 0.000 2.517 206 A HA 0.892 5.213 4.320 0.000 0.000 0.297 206 A C -1.537 175.369 177.584 -1.130 0.000 1.050 206 A CA -0.675 50.776 52.037 -0.977 0.000 0.694 206 A CB 1.316 20.056 19.000 -0.433 0.000 1.277 206 A HN 0.918 nan 8.150 nan 0.000 0.400 207 W N 0.021 121.341 121.300 0.033 0.000 3.062 207 W HA 0.715 5.375 4.660 0.000 0.000 0.336 207 W C -0.124 176.451 176.519 0.093 0.000 1.224 207 W CA -0.398 56.967 57.345 0.033 0.000 1.159 207 W CB 2.037 31.484 29.460 -0.022 0.000 1.454 207 W HN 0.843 nan 8.180 nan 0.000 0.569 208 T N -0.653 114.088 114.554 0.311 0.000 2.716 208 T HA 0.854 5.204 4.350 0.000 0.000 0.286 208 T C -0.454 174.349 174.700 0.171 0.000 1.052 208 T CA 0.252 62.483 62.100 0.219 0.000 1.024 208 T CB 1.917 70.878 68.868 0.154 0.000 1.349 208 T HN 0.926 nan 8.240 nan 0.000 0.525 209 G N 1.153 110.017 108.800 0.106 0.000 2.324 209 G HA2 0.452 4.412 3.960 0.000 0.000 0.293 209 G HA3 0.452 4.412 3.960 0.000 0.000 0.293 209 G C -3.211 171.681 174.900 -0.013 0.000 1.297 209 G CA -0.718 44.393 45.100 0.018 0.000 0.853 209 G HN 0.685 nan 8.290 nan 0.000 0.535 210 P HA 0.503 nan 4.420 nan 0.000 0.271 210 P C 0.155 177.438 177.300 -0.030 0.000 1.218 210 P CA 0.356 63.436 63.100 -0.033 0.000 0.780 210 P CB 1.603 33.281 31.700 -0.037 0.000 0.901 211 G N 0.214 109.034 108.800 0.033 0.000 2.660 211 G HA2 0.616 4.576 3.960 0.000 0.000 0.294 211 G HA3 0.616 4.576 3.960 0.000 0.000 0.294 211 G C -1.316 173.618 174.900 0.057 0.000 1.369 211 G CA -0.605 44.544 45.100 0.083 0.000 0.912 211 G HN 0.705 nan 8.290 nan 0.000 0.479 212 S N -0.930 114.807 115.700 0.061 0.000 2.556 212 S HA 0.818 5.288 4.470 0.000 0.000 0.271 212 S C -1.731 172.856 174.600 -0.021 0.000 1.135 212 S CA -0.773 57.432 58.200 0.009 0.000 0.858 212 S CB 2.160 65.357 63.200 -0.006 0.000 1.114 212 S HN 1.373 nan 8.310 nan 0.000 0.468 213 L N 1.079 122.248 121.223 -0.090 0.000 2.493 213 L HA 0.712 5.052 4.340 0.000 0.000 0.265 213 L C -1.125 175.611 176.870 -0.225 0.000 0.954 213 L CA -0.108 54.621 54.840 -0.185 0.000 0.844 213 L CB 1.980 43.877 42.059 -0.270 0.000 1.302 213 L HN 1.045 nan 8.230 nan 0.000 0.405 214 E N 4.406 124.468 120.200 -0.230 0.000 2.234 214 E HA 0.708 5.058 4.350 0.000 0.000 0.266 214 E C -1.844 174.564 176.600 -0.320 0.000 0.877 214 E CA -0.604 55.641 56.400 -0.258 0.000 0.758 214 E CB 1.539 31.140 29.700 -0.165 0.000 1.170 214 E HN 0.671 nan 8.360 nan 0.000 0.415 215 L N 3.543 124.523 121.223 -0.405 0.000 2.341 215 L HA 0.597 4.938 4.340 0.000 0.000 0.267 215 L C -0.396 176.191 176.870 -0.471 0.000 1.009 215 L CA -1.007 53.634 54.840 -0.330 0.000 0.819 215 L CB 1.945 43.858 42.059 -0.242 0.000 1.323 215 L HN 0.531 nan 8.230 nan 0.000 0.425 216 H N 0.640 119.686 119.070 -0.040 0.000 2.851 216 H HA 0.417 4.973 4.556 0.000 0.000 0.372 216 H C -2.520 172.815 175.328 0.011 0.000 1.158 216 H CA -1.589 54.452 56.048 -0.011 0.000 1.159 216 H CB 2.590 32.351 29.762 -0.001 0.000 1.757 216 H HN 0.319 nan 8.280 nan 0.000 0.546 217 P HA 0.147 nan 4.420 nan 0.000 0.276 217 P C -0.456 176.916 177.300 0.121 0.000 1.244 217 P CA 0.150 63.306 63.100 0.094 0.000 0.801 217 P CB 1.587 33.321 31.700 0.055 0.000 1.006 218 H N 0.056 119.117 119.070 -0.015 0.000 3.087 218 H HA 0.319 4.875 4.556 0.000 0.000 0.348 218 H C 0.481 175.773 175.328 -0.061 0.000 1.092 218 H CA -0.222 55.797 56.048 -0.049 0.000 1.285 218 H CB 2.206 31.894 29.762 -0.124 0.000 1.875 218 H HN 0.402 nan 8.280 nan 0.000 0.512 219 A N 4.385 127.223 122.820 0.030 0.000 1.986 219 A HA -0.106 4.215 4.320 0.000 0.000 0.220 219 A C 1.718 179.393 177.584 0.151 0.000 1.171 219 A CA 1.545 53.628 52.037 0.076 0.000 0.640 219 A CB -0.181 18.823 19.000 0.008 0.000 0.811 219 A HN 0.585 nan 8.150 nan 0.000 0.451 220 L N -2.319 119.088 121.223 0.306 0.000 2.693 220 L HA 0.365 4.705 4.340 0.000 0.000 0.235 220 L C 0.761 177.494 176.870 -0.228 0.000 1.127 220 L CA 0.460 55.326 54.840 0.043 0.000 0.914 220 L CB 0.320 42.445 42.059 0.111 0.000 1.193 220 L HN 0.353 nan 8.230 nan 0.000 0.502 221 A N 0.525 123.202 122.820 -0.239 0.000 3.474 221 A HA 0.430 4.750 4.320 0.000 0.000 0.251 221 A C -2.332 175.239 177.584 -0.022 0.000 1.062 221 A CA -0.495 51.415 52.037 -0.212 0.000 0.945 221 A CB -0.016 18.549 19.000 -0.725 0.000 1.296 221 A HN -0.120 nan 8.150 nan 0.000 0.592 222 P HA 0.017 nan 4.420 nan 0.000 0.269 222 P C 1.290 178.649 177.300 0.097 0.000 1.601 222 P CA -0.033 63.111 63.100 0.072 0.000 0.831 222 P CB -0.911 30.828 31.700 0.065 0.000 1.688 223 I N -1.640 119.001 120.570 0.118 0.000 2.315 223 I HA -0.241 3.929 4.170 0.000 0.000 0.251 223 I C 1.797 178.005 176.117 0.151 0.000 1.125 223 I CA 1.961 63.364 61.300 0.173 0.000 1.392 223 I CB -1.234 36.914 38.000 0.246 0.000 1.065 223 I HN 0.002 nan 8.210 nan 0.000 0.424 224 S N 1.096 116.854 115.700 0.096 0.000 2.507 224 S HA -0.075 4.395 4.470 0.000 0.000 0.235 224 S C 1.565 176.231 174.600 0.110 0.000 0.988 224 S CA 0.868 59.108 58.200 0.067 0.000 0.944 224 S CB -0.783 62.433 63.200 0.026 0.000 0.762 224 S HN 0.504 nan 8.310 nan 0.000 0.526 225 N N 1.807 120.577 118.700 0.118 0.000 2.272 225 N HA 0.047 4.787 4.740 0.000 0.000 0.185 225 N C 0.257 175.862 175.510 0.158 0.000 1.014 225 N CA 0.775 53.907 53.050 0.137 0.000 0.870 225 N CB -0.526 38.024 38.487 0.104 0.000 0.975 225 N HN 0.505 nan 8.380 nan 0.000 0.433 226 L N 2.348 123.655 121.223 0.140 0.000 2.422 226 L HA 0.188 4.528 4.340 0.000 0.000 0.256 226 L C -0.394 176.573 176.870 0.161 0.000 1.202 226 L CA -0.864 54.040 54.840 0.107 0.000 1.119 226 L CB -0.740 41.411 42.059 0.153 0.000 1.383 226 L HN 0.138 nan 8.230 nan 0.000 0.411 227 Y N 0.689 121.065 120.300 0.127 0.000 2.457 227 Y HA 0.417 4.967 4.550 0.000 0.000 0.341 227 Y C 0.157 176.096 175.900 0.064 0.000 1.240 227 Y CA -1.142 56.980 58.100 0.037 0.000 1.437 227 Y CB 0.212 38.675 38.460 0.006 0.000 1.328 227 Y HN 0.171 nan 8.280 nan 0.000 0.588 228 I N 3.793 124.406 120.570 0.072 0.000 2.312 228 I HA 0.183 4.353 4.170 0.000 0.000 0.291 228 I C 0.654 176.860 176.117 0.149 0.000 1.031 228 I CA -0.142 61.114 61.300 -0.075 0.000 1.293 228 I CB 1.214 38.993 38.000 -0.369 0.000 1.403 228 I HN 0.766 nan 8.210 nan 0.000 0.484 229 K N 5.492 126.009 120.400 0.195 0.000 2.202 229 K HA 0.125 4.445 4.320 0.000 0.000 0.201 229 K C 0.070 176.736 176.600 0.111 0.000 1.051 229 K CA 0.628 57.022 56.287 0.179 0.000 0.977 229 K CB 0.323 32.929 32.500 0.176 0.000 0.792 229 K HN 0.601 nan 8.250 nan 0.000 0.469 230 K N -0.079 120.392 120.400 0.117 0.000 2.639 230 K HA 0.237 4.557 4.320 0.000 0.000 0.279 230 K C -1.473 175.202 176.600 0.125 0.000 0.976 230 K CA -0.652 55.688 56.287 0.089 0.000 0.861 230 K CB 0.780 33.324 32.500 0.074 0.000 1.436 230 K HN -0.156 nan 8.250 nan 0.000 0.400 231 I N 3.168 123.796 120.570 0.097 0.000 2.416 231 I HA 0.058 4.228 4.170 0.000 0.000 0.288 231 I C 1.174 177.353 176.117 0.104 0.000 1.051 231 I CA -0.458 60.915 61.300 0.122 0.000 1.375 231 I CB 1.597 39.650 38.000 0.088 0.000 1.407 231 I HN 0.647 nan 8.210 nan 0.000 0.516 232 V N 2.031 122.013 119.914 0.112 0.000 3.645 232 V HA 0.305 4.425 4.120 0.000 0.000 0.275 232 V C 0.397 176.539 176.094 0.079 0.000 1.356 232 V CA 0.371 62.719 62.300 0.081 0.000 1.051 232 V CB 0.103 31.964 31.823 0.064 0.000 0.828 232 V HN 0.746 nan 8.190 nan 0.000 0.441 233 S N -0.805 114.954 115.700 0.098 0.000 2.552 233 S HA 0.782 5.252 4.470 0.000 0.000 0.272 233 S C -1.366 173.318 174.600 0.140 0.000 1.150 233 S CA -0.361 57.901 58.200 0.104 0.000 0.849 233 S CB 2.073 65.325 63.200 0.087 0.000 1.113 233 S HN 0.577 nan 8.310 nan 0.000 0.458 234 V N 2.009 122.018 119.914 0.159 0.000 2.525 234 V HA 0.782 4.902 4.120 0.000 0.000 0.299 234 V C -0.580 175.672 176.094 0.264 0.000 1.034 234 V CA -0.383 62.049 62.300 0.220 0.000 0.863 234 V CB 1.481 33.423 31.823 0.199 0.000 0.999 234 V HN 1.020 nan 8.190 nan 0.000 0.423 235 S N 2.897 118.815 115.700 0.363 0.000 2.549 235 S HA 0.646 5.116 4.470 0.000 0.000 0.280 235 S C -1.133 173.822 174.600 0.592 0.000 1.109 235 S CA -0.679 57.784 58.200 0.439 0.000 0.905 235 S CB 1.846 65.316 63.200 0.450 0.000 1.081 235 S HN 0.891 nan 8.310 nan 0.000 0.477 236 H N 1.741 121.080 119.070 0.449 0.000 2.782 236 H HA 0.619 5.175 4.556 0.000 0.000 0.347 236 H C -1.796 173.868 175.328 0.560 0.000 1.038 236 H CA -0.985 55.295 56.048 0.387 0.000 1.255 236 H CB 0.769 30.669 29.762 0.231 0.000 1.623 236 H HN 0.640 nan 8.280 nan 0.000 0.525 237 F N 3.719 123.827 119.950 0.263 0.000 2.668 237 F HA 0.535 5.062 4.527 0.000 0.000 0.309 237 F C -1.909 174.014 175.800 0.205 0.000 1.117 237 F CA -1.265 56.782 58.000 0.079 0.000 0.951 237 F CB 1.123 40.090 39.000 -0.054 0.000 1.323 237 F HN 0.358 nan 8.300 nan 0.000 0.451 238 I N 1.953 122.704 120.570 0.302 0.000 2.608 238 I HA 0.839 5.009 4.170 0.000 0.000 0.295 238 I C -0.934 175.337 176.117 0.258 0.000 1.049 238 I CA -0.201 61.256 61.300 0.262 0.000 1.063 238 I CB 2.288 40.414 38.000 0.210 0.000 1.248 238 I HN 1.051 nan 8.210 nan 0.000 0.424 239 T N 1.348 116.059 114.554 0.262 0.000 2.816 239 T HA 0.581 4.931 4.350 0.000 0.000 0.299 239 T C -1.604 173.208 174.700 0.187 0.000 1.230 239 T CA -0.885 61.355 62.100 0.232 0.000 1.007 239 T CB 1.831 70.895 68.868 0.327 0.000 1.289 239 T HN 0.407 nan 8.240 nan 0.000 0.508 240 D N 1.032 121.527 120.400 0.158 0.000 2.505 240 D HA 0.749 5.389 4.640 0.000 0.000 0.249 240 D C -0.516 175.881 176.300 0.162 0.000 1.082 240 D CA -0.280 53.813 54.000 0.155 0.000 0.839 240 D CB 1.904 42.773 40.800 0.115 0.000 1.317 240 D HN 0.837 nan 8.370 nan 0.000 0.497 241 L N -1.354 119.993 121.223 0.208 0.000 2.720 241 L HA 0.778 5.118 4.340 0.000 0.000 0.261 241 L C -0.898 176.142 176.870 0.283 0.000 1.046 241 L CA -0.610 54.352 54.840 0.202 0.000 0.886 241 L CB 1.818 43.984 42.059 0.179 0.000 1.493 241 L HN 0.100 nan 8.230 nan 0.000 0.407 242 T N 2.147 116.841 114.554 0.233 0.000 2.841 242 T HA 0.669 5.019 4.350 0.000 0.000 0.283 242 T C -1.129 173.732 174.700 0.267 0.000 1.000 242 T CA -0.159 62.097 62.100 0.260 0.000 0.977 242 T CB 1.515 70.472 68.868 0.147 0.000 0.979 242 T HN 0.753 nan 8.240 nan 0.000 0.446 243 L N 7.108 128.560 121.223 0.381 0.000 2.272 243 L HA 0.538 4.878 4.340 0.000 0.000 0.284 243 L C -2.485 174.603 176.870 0.364 0.000 1.045 243 L CA -1.854 53.189 54.840 0.338 0.000 0.842 243 L CB 0.511 42.821 42.059 0.418 0.000 1.224 243 L HN 0.331 nan 8.230 nan 0.000 0.430 244 P HA 0.288 nan 4.420 nan 0.000 0.314 244 P C -0.958 176.602 177.300 0.434 0.000 1.306 244 P CA -0.463 62.763 63.100 0.210 0.000 0.782 244 P CB 0.900 32.702 31.700 0.169 0.000 1.337 245 Y N -1.316 119.246 120.300 0.437 0.000 2.260 245 Y HA 0.526 5.076 4.550 0.000 0.000 0.339 245 Y C 1.678 177.797 175.900 0.366 0.000 1.317 245 Y CA 0.832 59.181 58.100 0.415 0.000 1.514 245 Y CB -0.286 38.291 38.460 0.194 0.000 1.382 245 Y HN 0.521 nan 8.280 nan 0.000 0.581 246 G N -0.238 108.854 108.800 0.486 0.000 3.135 246 G HA2 0.686 4.646 3.960 0.000 0.000 0.278 246 G HA3 0.686 4.646 3.960 0.000 0.000 0.278 246 G C -1.519 173.496 174.900 0.191 0.000 1.302 246 G CA -1.079 44.212 45.100 0.319 0.000 0.880 246 G HN 0.361 nan 8.290 nan 0.000 0.574 247 K N -0.643 119.836 120.400 0.131 0.000 2.469 247 K HA 0.530 4.850 4.320 0.000 0.000 0.254 247 K C -1.253 175.382 176.600 0.058 0.000 0.939 247 K CA -0.719 55.621 56.287 0.089 0.000 0.812 247 K CB 3.072 35.634 32.500 0.104 0.000 1.301 247 K HN 0.230 nan 8.250 nan 0.000 0.433 248 V N 2.933 122.868 119.914 0.035 0.000 2.508 248 V HA 0.028 4.148 4.120 0.000 0.000 0.281 248 V C 0.997 177.105 176.094 0.024 0.000 1.041 248 V CA 0.024 62.331 62.300 0.012 0.000 1.016 248 V CB 1.067 32.883 31.823 -0.013 0.000 0.984 248 V HN 0.744 nan 8.190 nan 0.000 0.478 249 V N 1.784 121.710 119.914 0.020 0.000 3.604 249 V HA 0.758 4.878 4.120 0.000 0.000 0.277 249 V C 0.495 176.607 176.094 0.030 0.000 1.399 249 V CA 0.581 62.925 62.300 0.072 0.000 1.034 249 V CB 0.271 32.204 31.823 0.183 0.000 0.824 249 V HN 0.864 nan 8.190 nan 0.000 0.439 250 A N 0.458 123.207 122.820 -0.119 0.000 2.520 250 A HA 0.752 5.072 4.320 0.000 0.000 0.298 250 A C -1.991 175.312 177.584 -0.469 0.000 1.051 250 A CA -0.066 51.781 52.037 -0.317 0.000 0.690 250 A CB 2.008 20.723 19.000 -0.475 0.000 1.281 250 A HN 0.249 nan 8.150 nan 0.000 0.402 251 D N 1.070 121.199 120.400 -0.450 0.000 2.421 251 D HA 0.416 5.056 4.640 0.000 0.000 0.254 251 D C -0.631 175.489 176.300 -0.300 0.000 1.238 251 D CA -0.250 53.560 54.000 -0.317 0.000 0.919 251 D CB 0.479 41.197 40.800 -0.137 0.000 1.152 251 D HN 0.360 nan 8.370 nan 0.000 0.552 252 Y N 2.283 122.588 120.300 0.009 0.000 2.578 252 Y HA 0.170 4.720 4.550 0.000 0.000 0.297 252 Y C 1.680 177.583 175.900 0.006 0.000 1.176 252 Y CA 0.311 58.415 58.100 0.007 0.000 1.315 252 Y CB 0.061 38.522 38.460 0.002 0.000 1.031 252 Y HN 0.422 nan 8.280 nan 0.000 0.524 253 L N -0.863 120.414 121.223 0.091 0.000 2.667 253 L HA 0.386 4.726 4.340 0.000 0.000 0.232 253 L C 0.958 177.846 176.870 0.031 0.000 1.138 253 L CA -0.197 54.679 54.840 0.060 0.000 0.921 253 L CB -0.132 41.954 42.059 0.044 0.000 1.180 253 L HN 0.120 nan 8.230 nan 0.000 0.487 254 A N 0.000 122.831 122.820 0.019 0.000 2.254 254 A HA 0.000 4.320 4.320 0.000 0.000 0.244 254 A CA 0.000 52.040 52.037 0.005 0.000 0.836 254 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 254 A HN 0.000 nan 8.150 nan 0.000 0.486