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 1izc_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKSYSEQPEL HAKAPYRSAM LTYPGNLRQA LKDAMADPSK TLMGVAHGIP DATA SEQUENCE STFVTKVLAA TKPDFVWIDV EHGMFNRLEL HDAIHAAQHH SEGRSLVIVR DATA SEQUENCE VPKHDEVSLS TALDAGAAGI VIPHVETVEE VREFVKEMYY GPIGRRSFSP DATA SEQUENCE WTFSPGIADA SLFPNDPYNV ATSNNHVCII PQIESVKGVE NVDAIAAMPE DATA SEQUENCE IHGLMFGPGD YMIDAGLDLN GALSGVPHPT FVEAMTKFST AAQRNGVPIF DATA SEQUENCE GGALSVDMVP SLIEQGYRAI AVQFDVWGLS RLVHGSLAQA RASAKQFAG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.587 177.584 0.005 0.000 1.274 2 A CA 0.000 52.040 52.037 0.005 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 K N 0.424 120.833 120.400 0.015 0.000 2.609 3 K HA 0.322 4.642 4.320 -0.000 0.000 0.195 3 K C 0.334 176.959 176.600 0.041 0.000 1.144 3 K CA 0.567 56.865 56.287 0.019 0.000 1.084 3 K CB 0.288 32.798 32.500 0.017 0.000 0.877 3 K HN 0.404 nan 8.250 nan 0.000 0.540 4 S N -0.207 115.524 115.700 0.052 0.000 2.608 4 S HA 0.024 4.494 4.470 -0.000 0.000 0.261 4 S C 1.033 175.716 174.600 0.138 0.000 1.314 4 S CA -0.608 57.648 58.200 0.092 0.000 0.992 4 S CB 0.388 63.639 63.200 0.085 0.000 0.935 4 S HN 0.302 nan 8.310 nan 0.000 0.564 5 Y N 1.900 122.233 120.300 0.055 0.000 2.128 5 Y HA -0.182 4.368 4.550 -0.000 0.000 0.284 5 Y C 2.761 178.791 175.900 0.217 0.000 1.154 5 Y CA 2.457 60.618 58.100 0.101 0.000 1.149 5 Y CB -0.961 37.534 38.460 0.059 0.000 0.976 5 Y HN 0.851 nan 8.280 nan 0.000 0.505 6 S N -0.427 115.404 115.700 0.217 0.000 2.419 6 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 6 S C 1.406 176.074 174.600 0.113 0.000 1.016 6 S CA 1.528 59.822 58.200 0.155 0.000 0.974 6 S CB -0.530 62.736 63.200 0.110 0.000 0.786 6 S HN 0.701 nan 8.310 nan 0.000 0.492 7 E N 0.815 121.043 120.200 0.048 0.000 2.465 7 E HA 0.124 4.474 4.350 -0.000 0.000 0.191 7 E C 0.063 176.612 176.600 -0.085 0.000 1.053 7 E CA 0.067 56.460 56.400 -0.011 0.000 0.869 7 E CB 0.100 29.801 29.700 0.002 0.000 0.977 7 E HN 0.652 nan 8.360 nan 0.000 0.483 8 Q N 0.338 120.041 119.800 -0.161 0.000 2.965 8 Q HA 0.145 4.485 4.340 -0.000 0.000 0.288 8 Q C -2.201 173.429 176.000 -0.617 0.000 0.974 8 Q CA -1.666 53.979 55.803 -0.263 0.000 0.849 8 Q CB 1.264 29.910 28.738 -0.154 0.000 1.280 8 Q HN 0.030 nan 8.270 nan 0.000 0.441 9 P HA -0.235 nan 4.420 nan 0.000 0.217 9 P C 0.412 177.315 177.300 -0.661 0.000 1.148 9 P CA 1.424 63.895 63.100 -1.047 0.000 0.834 9 P CB 0.369 31.794 31.700 -0.458 0.000 0.783 10 E N -0.767 119.206 120.200 -0.378 0.000 2.265 10 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 10 E C 1.651 178.154 176.600 -0.162 0.000 0.996 10 E CA 0.801 57.075 56.400 -0.209 0.000 0.832 10 E CB -0.858 28.760 29.700 -0.136 0.000 0.756 10 E HN 0.308 nan 8.360 nan 0.000 0.491 11 L N 0.135 121.226 121.223 -0.219 0.000 2.529 11 L HA 0.089 4.429 4.340 -0.000 0.000 0.223 11 L C 0.497 177.410 176.870 0.073 0.000 1.113 11 L CA -0.038 54.772 54.840 -0.049 0.000 0.861 11 L CB -0.327 41.731 42.059 -0.002 0.000 1.012 11 L HN 0.181 nan 8.230 nan 0.000 0.461 12 H N 0.364 119.321 119.070 -0.189 0.000 2.790 12 H HA 0.290 4.846 4.556 -0.000 0.000 0.358 12 H C 0.500 175.840 175.328 0.020 0.000 1.103 12 H CA -0.531 55.462 56.048 -0.091 0.000 1.426 12 H CB 0.964 30.634 29.762 -0.153 0.000 1.424 12 H HN 0.200 nan 8.280 nan 0.000 0.599 13 A N 3.133 126.072 122.820 0.199 0.000 2.425 13 A HA 0.128 4.448 4.320 -0.000 0.000 0.249 13 A C -0.007 177.614 177.584 0.062 0.000 1.084 13 A CA -0.415 51.686 52.037 0.106 0.000 0.781 13 A CB 0.178 19.227 19.000 0.082 0.000 1.019 13 A HN 0.729 nan 8.150 nan 0.000 0.490 14 K N 1.643 122.063 120.400 0.033 0.000 2.299 14 K HA 0.479 4.799 4.320 -0.000 0.000 0.268 14 K C -0.490 176.103 176.600 -0.010 0.000 1.075 14 K CA 0.039 56.327 56.287 0.002 0.000 0.936 14 K CB 1.423 33.920 32.500 -0.006 0.000 1.228 14 K HN 0.660 nan 8.250 nan 0.000 0.454 15 A N 4.704 127.506 122.820 -0.030 0.000 2.978 15 A HA 0.332 4.652 4.320 -0.000 0.000 0.341 15 A C -2.050 175.469 177.584 -0.109 0.000 1.105 15 A CA -1.263 50.755 52.037 -0.032 0.000 0.819 15 A CB 0.352 19.349 19.000 -0.004 0.000 1.080 15 A HN 0.425 nan 8.150 nan 0.000 0.476 16 P HA -0.161 nan 4.420 nan 0.000 0.217 16 P C 0.197 177.107 177.300 -0.650 0.000 1.148 16 P CA 1.669 64.455 63.100 -0.523 0.000 0.828 16 P CB -0.005 31.207 31.700 -0.813 0.000 0.783 17 Y N -1.548 118.738 120.300 -0.023 0.000 2.531 17 Y HA 0.206 4.756 4.550 -0.000 0.000 0.249 17 Y C 1.115 176.987 175.900 -0.046 0.000 1.168 17 Y CA -0.882 57.185 58.100 -0.055 0.000 1.226 17 Y CB -0.500 37.923 38.460 -0.062 0.000 1.177 17 Y HN -0.096 nan 8.280 nan 0.000 0.527 18 R N -0.299 120.244 120.500 0.071 0.000 2.694 18 R HA 0.346 4.686 4.340 -0.000 0.000 0.268 18 R C 0.549 176.914 176.300 0.109 0.000 1.061 18 R CA -0.131 56.017 56.100 0.079 0.000 1.133 18 R CB 0.658 30.978 30.300 0.034 0.000 1.020 18 R HN 0.006 nan 8.270 nan 0.000 0.475 19 S N 0.414 116.213 115.700 0.166 0.000 2.661 19 S HA 0.341 4.810 4.470 -0.000 0.000 0.265 19 S C 1.400 176.063 174.600 0.105 0.000 1.225 19 S CA -0.073 58.256 58.200 0.215 0.000 0.986 19 S CB 0.962 64.336 63.200 0.290 0.000 1.008 19 S HN 0.725 nan 8.310 nan 0.000 0.565 20 A N 1.180 124.044 122.820 0.073 0.000 1.972 20 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 20 A C 0.866 178.477 177.584 0.045 0.000 1.169 20 A CA 1.174 53.227 52.037 0.028 0.000 0.635 20 A CB -0.416 18.580 19.000 -0.007 0.000 0.810 20 A HN 0.728 nan 8.150 nan 0.000 0.446 21 M N -0.834 118.822 119.600 0.094 0.000 2.395 21 M HA 0.359 4.839 4.480 -0.000 0.000 0.307 21 M C -0.118 176.250 176.300 0.113 0.000 1.091 21 M CA -0.322 55.052 55.300 0.123 0.000 0.919 21 M CB 1.996 34.726 32.600 0.216 0.000 1.662 21 M HN 0.055 nan 8.290 nan 0.000 0.440 22 L N 0.979 122.177 121.223 -0.042 0.000 2.622 22 L HA -0.039 4.300 4.340 -0.000 0.000 0.233 22 L C 1.875 178.635 176.870 -0.184 0.000 1.156 22 L CA 0.760 55.449 54.840 -0.251 0.000 0.866 22 L CB -0.786 40.837 42.059 -0.727 0.000 0.980 22 L HN 0.859 nan 8.230 nan 0.000 0.448 23 T N -4.439 110.124 114.554 0.015 0.000 3.129 23 T HA 0.029 4.379 4.350 -0.000 0.000 0.251 23 T C 0.270 174.871 174.700 -0.165 0.000 1.117 23 T CA 0.153 62.228 62.100 -0.041 0.000 1.034 23 T CB -0.201 68.635 68.868 -0.054 0.000 0.968 23 T HN 0.034 nan 8.240 nan 0.000 0.526 24 Y N 1.988 122.332 120.300 0.075 0.000 2.509 24 Y HA 0.497 5.046 4.550 -0.000 0.000 0.341 24 Y C -2.413 173.556 175.900 0.114 0.000 1.038 24 Y CA -2.882 55.276 58.100 0.096 0.000 1.089 24 Y CB 1.659 40.169 38.460 0.085 0.000 1.241 24 Y HN -0.115 nan 8.280 nan 0.000 0.468 25 P HA 0.066 nan 4.420 nan 0.000 0.268 25 P C 0.033 177.545 177.300 0.352 0.000 1.204 25 P CA 0.051 63.298 63.100 0.246 0.000 0.768 25 P CB 0.897 32.724 31.700 0.212 0.000 0.842 26 G N 2.429 111.359 108.800 0.216 0.000 2.634 26 G HA2 0.006 3.965 3.960 -0.000 0.000 0.255 26 G HA3 0.006 3.965 3.960 -0.000 0.000 0.255 26 G C 0.224 175.110 174.900 -0.024 0.000 1.205 26 G CA -0.420 44.770 45.100 0.150 0.000 0.884 26 G HN 0.541 nan 8.290 nan 0.000 0.549 27 N N 0.407 118.922 118.700 -0.309 0.000 2.895 27 N HA 0.030 4.770 4.740 -0.000 0.000 0.277 27 N C 1.392 176.741 175.510 -0.269 0.000 1.185 27 N CA -0.498 52.227 53.050 -0.541 0.000 1.106 27 N CB 0.537 38.660 38.487 -0.606 0.000 1.422 27 N HN 0.322 nan 8.380 nan 0.000 0.521 28 L N 3.002 124.131 121.223 -0.156 0.000 2.141 28 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 28 L C 2.215 178.989 176.870 -0.160 0.000 1.094 28 L CA 1.498 56.245 54.840 -0.155 0.000 0.763 28 L CB -0.358 41.680 42.059 -0.035 0.000 0.908 28 L HN 0.343 nan 8.230 nan 0.000 0.437 29 R N -0.443 119.984 120.500 -0.121 0.000 2.096 29 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 29 R C 2.386 178.630 176.300 -0.094 0.000 1.139 29 R CA 2.050 58.083 56.100 -0.111 0.000 0.952 29 R CB -0.545 29.701 30.300 -0.091 0.000 0.854 29 R HN 0.488 nan 8.270 nan 0.000 0.436 30 Q N -0.464 119.268 119.800 -0.113 0.000 2.123 30 Q HA 0.095 4.435 4.340 -0.000 0.000 0.199 30 Q C 1.837 177.696 176.000 -0.235 0.000 0.966 30 Q CA 1.822 57.581 55.803 -0.073 0.000 0.845 30 Q CB -0.318 28.460 28.738 0.066 0.000 0.907 30 Q HN 0.421 nan 8.270 nan 0.000 0.439 31 A N 0.151 122.585 122.820 -0.645 0.000 1.908 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 2.060 179.459 177.584 -0.308 0.000 1.181 31 A CA 1.459 52.974 52.037 -0.870 0.000 0.627 31 A CB -0.763 17.627 19.000 -1.018 0.000 0.818 31 A HN 0.447 nan 8.150 nan 0.000 0.445 32 L N -0.996 120.111 121.223 -0.192 0.000 2.056 32 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 32 L C 2.581 179.432 176.870 -0.031 0.000 1.078 32 L CA 1.680 56.474 54.840 -0.076 0.000 0.749 32 L CB -0.411 41.658 42.059 0.017 0.000 0.901 32 L HN 0.336 nan 8.230 nan 0.000 0.433 33 K N -0.138 120.250 120.400 -0.021 0.000 2.097 33 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 33 K C 1.693 178.304 176.600 0.018 0.000 1.049 33 K CA 1.471 57.766 56.287 0.013 0.000 0.933 33 K CB -0.138 32.378 32.500 0.026 0.000 0.717 33 K HN 0.242 nan 8.250 nan 0.000 0.442 34 D N 0.539 120.950 120.400 0.018 0.000 2.144 34 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 34 D C 1.772 178.096 176.300 0.040 0.000 0.978 34 D CA 1.173 55.206 54.000 0.056 0.000 0.833 34 D CB -0.123 40.758 40.800 0.135 0.000 0.961 34 D HN 0.211 nan 8.370 nan 0.000 0.470 35 A N 0.340 123.167 122.820 0.012 0.000 1.968 35 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 35 A C 2.214 179.806 177.584 0.013 0.000 1.169 35 A CA 0.895 52.938 52.037 0.010 0.000 0.638 35 A CB -0.419 18.570 19.000 -0.018 0.000 0.812 35 A HN 0.130 nan 8.150 nan 0.000 0.446 36 M N -0.613 118.995 119.600 0.012 0.000 2.132 36 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 36 M C 2.498 178.810 176.300 0.020 0.000 1.065 36 M CA 1.378 56.688 55.300 0.017 0.000 1.122 36 M CB -0.333 32.278 32.600 0.019 0.000 1.365 36 M HN 0.465 nan 8.290 nan 0.000 0.411 37 A N -0.628 122.206 122.820 0.024 0.000 1.969 37 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 37 A C 0.827 178.425 177.584 0.024 0.000 1.169 37 A CA 1.410 53.461 52.037 0.025 0.000 0.635 37 A CB -0.135 18.883 19.000 0.030 0.000 0.810 37 A HN 0.435 nan 8.150 nan 0.000 0.445 38 D N -2.286 118.131 120.400 0.027 0.000 2.330 38 D HA 0.355 4.994 4.640 -0.000 0.000 0.249 38 D C -2.546 173.769 176.300 0.026 0.000 1.306 38 D CA -1.860 52.155 54.000 0.026 0.000 0.956 38 D CB 1.301 42.118 40.800 0.030 0.000 1.261 38 D HN -0.103 nan 8.370 nan 0.000 0.544 39 P HA -0.112 nan 4.420 nan 0.000 0.226 39 P C 1.242 178.556 177.300 0.023 0.000 1.146 39 P CA 0.851 63.965 63.100 0.024 0.000 0.773 39 P CB 0.205 31.919 31.700 0.024 0.000 0.772 40 S N -0.985 114.728 115.700 0.021 0.000 2.515 40 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 40 S C 1.431 176.046 174.600 0.025 0.000 0.987 40 S CA 0.704 58.916 58.200 0.019 0.000 0.936 40 S CB -0.673 62.537 63.200 0.016 0.000 0.766 40 S HN 0.188 nan 8.310 nan 0.000 0.528 41 K N 1.403 121.822 120.400 0.032 0.000 2.410 41 K HA 0.178 4.498 4.320 -0.000 0.000 0.200 41 K C -0.209 176.414 176.600 0.037 0.000 1.023 41 K CA -0.118 56.196 56.287 0.044 0.000 1.149 41 K CB 0.188 32.725 32.500 0.062 0.000 0.859 41 K HN 0.233 nan 8.250 nan 0.000 0.514 42 T N 2.282 116.852 114.554 0.027 0.000 2.891 42 T HA -0.050 4.300 4.350 -0.000 0.000 0.296 42 T C 0.060 174.781 174.700 0.035 0.000 1.025 42 T CA 0.094 62.206 62.100 0.021 0.000 1.149 42 T CB 0.155 69.039 68.868 0.027 0.000 1.007 42 T HN -0.024 nan 8.240 nan 0.000 0.528 43 L N 5.179 126.428 121.223 0.043 0.000 2.418 43 L HA 0.216 4.556 4.340 -0.000 0.000 0.274 43 L C 0.491 177.458 176.870 0.162 0.000 1.135 43 L CA 0.593 55.511 54.840 0.129 0.000 0.870 43 L CB 0.150 42.330 42.059 0.202 0.000 1.154 43 L HN 0.484 nan 8.230 nan 0.000 0.462 44 M N 3.361 122.968 119.600 0.012 0.000 2.101 44 M HA 0.563 5.043 4.480 -0.000 0.000 0.340 44 M C 0.433 176.448 176.300 -0.476 0.000 1.057 44 M CA -0.236 54.981 55.300 -0.139 0.000 0.984 44 M CB 0.859 33.397 32.600 -0.104 0.000 1.560 44 M HN 0.661 nan 8.290 nan 0.000 0.435 45 G N 1.480 109.695 108.800 -0.976 0.000 3.176 45 G HA2 0.767 4.727 3.960 -0.000 0.000 0.272 45 G HA3 0.767 4.727 3.960 -0.000 0.000 0.272 45 G C -1.614 172.787 174.900 -0.832 0.000 1.349 45 G CA -0.611 43.564 45.100 -1.542 0.000 0.953 45 G HN 0.521 nan 8.290 nan 0.000 0.559 46 V N -0.531 119.025 119.914 -0.597 0.000 2.709 46 V HA 0.762 4.881 4.120 -0.000 0.000 0.308 46 V C -0.155 175.921 176.094 -0.031 0.000 1.062 46 V CA -0.390 61.728 62.300 -0.303 0.000 0.901 46 V CB 1.469 33.167 31.823 -0.208 0.000 1.003 46 V HN 1.413 nan 8.190 nan 0.000 0.425 47 A N 4.334 127.127 122.820 -0.044 0.000 2.331 47 A HA 0.673 4.993 4.320 -0.000 0.000 0.283 47 A C -0.751 177.054 177.584 0.369 0.000 1.142 47 A CA -0.107 52.105 52.037 0.290 0.000 0.812 47 A CB 0.208 19.343 19.000 0.225 0.000 1.074 47 A HN 1.197 nan 8.150 nan 0.000 0.497 48 H N 1.475 120.762 119.070 0.361 0.000 2.762 48 H HA 0.531 5.087 4.556 -0.000 0.000 0.310 48 H C 0.620 176.181 175.328 0.388 0.000 1.004 48 H CA -0.336 55.895 56.048 0.304 0.000 1.267 48 H CB 0.955 30.870 29.762 0.255 0.000 1.437 48 H HN 0.544 nan 8.280 nan 0.000 0.498 49 G N 4.482 113.485 108.800 0.339 0.000 3.079 49 G HA2 0.136 4.096 3.960 -0.000 0.000 0.233 49 G HA3 0.136 4.096 3.960 -0.000 0.000 0.233 49 G C 0.208 175.115 174.900 0.012 0.000 1.062 49 G CA -0.223 45.005 45.100 0.215 0.000 0.809 49 G HN 0.543 nan 8.290 nan 0.000 0.535 50 I N 3.192 123.791 120.570 0.049 0.000 2.379 50 I HA 0.197 4.366 4.170 -0.000 0.000 0.290 50 I C -1.775 174.139 176.117 -0.338 0.000 1.063 50 I CA -1.951 59.320 61.300 -0.048 0.000 1.351 50 I CB 1.680 39.764 38.000 0.139 0.000 1.410 50 I HN -0.074 nan 8.210 nan 0.000 0.505 51 P HA 0.030 nan 4.420 nan 0.000 0.237 51 P C -0.467 176.650 177.300 -0.304 0.000 1.788 51 P CA 0.082 62.617 63.100 -0.941 0.000 1.061 51 P CB 0.204 31.404 31.700 -0.834 0.000 1.967 52 S N 1.272 116.945 115.700 -0.044 0.000 2.668 52 S HA 0.302 4.771 4.470 -0.000 0.000 0.277 52 S C 1.215 175.972 174.600 0.261 0.000 1.170 52 S CA -0.308 57.963 58.200 0.119 0.000 0.994 52 S CB 0.829 64.108 63.200 0.132 0.000 1.051 52 S HN 0.264 nan 8.310 nan 0.000 0.484 53 T N 2.521 117.207 114.554 0.220 0.000 2.962 53 T HA -0.051 4.298 4.350 -0.000 0.000 0.270 53 T C 1.473 176.252 174.700 0.131 0.000 1.088 53 T CA 0.946 63.161 62.100 0.192 0.000 1.127 53 T CB -0.532 68.409 68.868 0.122 0.000 0.883 53 T HN 0.590 nan 8.240 nan 0.000 0.493 54 F N 2.075 122.047 119.950 0.037 0.000 2.134 54 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 54 F C 2.271 178.075 175.800 0.008 0.000 1.097 54 F CA 0.753 58.756 58.000 0.005 0.000 1.264 54 F CB -0.453 38.557 39.000 0.017 0.000 1.001 54 F HN -0.001 nan 8.300 nan 0.000 0.479 55 V N -0.128 119.977 119.914 0.318 0.000 2.343 55 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 55 V C 2.282 178.361 176.094 -0.025 0.000 1.051 55 V CA 2.383 64.801 62.300 0.197 0.000 1.036 55 V CB -1.188 30.796 31.823 0.268 0.000 0.654 55 V HN 0.429 nan 8.190 nan 0.000 0.451 56 T N -0.298 114.250 114.554 -0.010 0.000 2.720 56 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 56 T C 1.887 176.484 174.700 -0.171 0.000 1.037 56 T CA 1.606 63.608 62.100 -0.164 0.000 1.144 56 T CB -0.255 68.664 68.868 0.085 0.000 0.864 56 T HN 0.487 nan 8.240 nan 0.000 0.444 57 K N 0.533 120.794 120.400 -0.231 0.000 2.057 57 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 57 K C 2.364 178.842 176.600 -0.204 0.000 1.049 57 K CA 0.901 56.981 56.287 -0.345 0.000 0.931 57 K CB -0.411 31.724 32.500 -0.607 0.000 0.714 57 K HN 0.158 nan 8.250 nan 0.000 0.440 58 V N 1.904 121.701 119.914 -0.195 0.000 2.358 58 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 58 V C 2.194 178.247 176.094 -0.068 0.000 1.047 58 V CA 1.562 63.802 62.300 -0.099 0.000 1.035 58 V CB -0.425 31.391 31.823 -0.012 0.000 0.658 58 V HN 0.270 nan 8.190 nan 0.000 0.452 59 L N 0.169 121.333 121.223 -0.098 0.000 2.046 59 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 59 L C 2.750 179.576 176.870 -0.074 0.000 1.077 59 L CA 1.596 56.374 54.840 -0.103 0.000 0.747 59 L CB -0.877 41.071 42.059 -0.186 0.000 0.896 59 L HN 0.358 nan 8.230 nan 0.000 0.432 60 A N 0.158 122.941 122.820 -0.062 0.000 1.972 60 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 60 A C 2.472 180.064 177.584 0.014 0.000 1.169 60 A CA 1.598 53.632 52.037 -0.006 0.000 0.635 60 A CB -0.608 18.418 19.000 0.043 0.000 0.810 60 A HN 0.405 nan 8.150 nan 0.000 0.446 61 A N -0.287 122.538 122.820 0.008 0.000 2.121 61 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 61 A C 2.169 179.754 177.584 0.002 0.000 1.154 61 A CA 1.991 54.038 52.037 0.015 0.000 0.679 61 A CB -1.075 17.932 19.000 0.011 0.000 0.795 61 A HN 0.771 nan 8.150 nan 0.000 0.458 62 T N -3.315 111.231 114.554 -0.014 0.000 3.148 62 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 62 T C 0.533 175.219 174.700 -0.024 0.000 1.134 62 T CA 0.465 62.553 62.100 -0.021 0.000 1.051 62 T CB -0.550 68.297 68.868 -0.035 0.000 0.959 62 T HN 0.499 nan 8.240 nan 0.000 0.525 63 K N 1.354 121.744 120.400 -0.016 0.000 3.244 63 K HA -0.098 4.222 4.320 -0.000 0.000 0.270 63 K C -2.499 174.082 176.600 -0.032 0.000 1.016 63 K CA 0.307 56.588 56.287 -0.010 0.000 0.754 63 K CB -1.429 31.072 32.500 0.002 0.000 1.326 63 K HN 0.491 nan 8.250 nan 0.000 0.465 64 P HA 0.052 nan 4.420 nan 0.000 0.274 64 P C 0.029 177.281 177.300 -0.080 0.000 1.237 64 P CA -0.162 62.863 63.100 -0.126 0.000 0.793 64 P CB 0.666 32.245 31.700 -0.202 0.000 0.977 65 D N -0.016 120.322 120.400 -0.104 0.000 2.264 65 D HA 0.024 4.664 4.640 -0.000 0.000 0.208 65 D C 0.620 177.022 176.300 0.169 0.000 0.966 65 D CA 1.494 55.519 54.000 0.043 0.000 0.864 65 D CB -0.223 40.629 40.800 0.087 0.000 0.933 65 D HN 0.466 nan 8.370 nan 0.000 0.499 66 F N -2.417 117.554 119.950 0.035 0.000 2.719 66 F HA 0.511 5.038 4.527 -0.000 0.000 0.309 66 F C -1.594 174.256 175.800 0.082 0.000 1.138 66 F CA -1.435 56.604 58.000 0.065 0.000 0.943 66 F CB 1.043 40.096 39.000 0.088 0.000 1.304 66 F HN -0.396 nan 8.300 nan 0.000 0.445 67 V N 2.014 122.149 119.914 0.368 0.000 2.409 67 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 67 V C -1.528 174.869 176.094 0.505 0.000 1.020 67 V CA -0.549 61.927 62.300 0.293 0.000 0.848 67 V CB 1.654 33.572 31.823 0.158 0.000 0.990 67 V HN 0.869 nan 8.190 nan 0.000 0.430 68 W N 7.118 128.639 121.300 0.368 0.000 2.283 68 W HA 0.655 5.315 4.660 -0.000 0.000 0.317 68 W C -0.487 176.149 176.519 0.194 0.000 1.042 68 W CA -0.528 56.997 57.345 0.300 0.000 1.348 68 W CB 0.801 30.495 29.460 0.391 0.000 1.216 68 W HN 0.436 nan 8.180 nan 0.000 0.404 69 I N 5.816 126.330 120.570 -0.094 0.000 2.331 69 I HA 0.073 4.243 4.170 -0.000 0.000 0.292 69 I C -0.052 175.765 176.117 -0.501 0.000 0.998 69 I CA -0.470 60.694 61.300 -0.227 0.000 1.267 69 I CB 1.054 38.815 38.000 -0.398 0.000 1.386 69 I HN 0.252 nan 8.210 nan 0.000 0.476 70 D N 6.246 126.492 120.400 -0.256 0.000 2.396 70 D HA 0.218 4.858 4.640 -0.000 0.000 0.225 70 D C 0.439 176.694 176.300 -0.075 0.000 1.121 70 D CA -0.244 53.606 54.000 -0.249 0.000 0.853 70 D CB 1.552 42.413 40.800 0.103 0.000 1.043 70 D HN 0.243 nan 8.370 nan 0.000 0.500 71 V N 3.802 123.605 119.914 -0.186 0.000 3.590 71 V HA 0.002 4.121 4.120 -0.000 0.000 0.265 71 V C 2.110 178.167 176.094 -0.062 0.000 1.239 71 V CA 0.413 62.669 62.300 -0.074 0.000 1.117 71 V CB -0.165 31.567 31.823 -0.151 0.000 0.818 71 V HN 0.615 nan 8.190 nan 0.000 0.451 72 E N 0.192 120.313 120.200 -0.131 0.000 2.072 72 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 72 E C 1.749 178.151 176.600 -0.330 0.000 0.985 72 E CA 1.348 57.606 56.400 -0.237 0.000 0.801 72 E CB 0.070 29.592 29.700 -0.296 0.000 0.750 72 E HN 0.685 nan 8.360 nan 0.000 0.452 73 H N -1.566 117.543 119.070 0.065 0.000 3.170 73 H HA 0.256 4.812 4.556 -0.000 0.000 0.264 73 H C 0.274 175.651 175.328 0.081 0.000 1.113 73 H CA 0.497 56.590 56.048 0.075 0.000 1.194 73 H CB 0.862 30.673 29.762 0.081 0.000 1.553 73 H HN 0.063 nan 8.280 nan 0.000 0.538 74 G N 1.225 110.154 108.800 0.216 0.000 2.390 74 G HA2 0.235 4.195 3.960 -0.000 0.000 0.270 74 G HA3 0.235 4.195 3.960 -0.000 0.000 0.270 74 G C 0.661 175.639 174.900 0.130 0.000 1.211 74 G CA -0.491 44.731 45.100 0.204 0.000 0.842 74 G HN 0.068 nan 8.290 nan 0.000 0.519 75 M N 2.974 122.522 119.600 -0.087 0.000 3.484 75 M HA 0.209 4.689 4.480 -0.000 0.000 0.196 75 M C -0.592 175.606 176.300 -0.169 0.000 1.359 75 M CA -0.236 55.005 55.300 -0.097 0.000 1.510 75 M CB -1.390 31.146 32.600 -0.107 0.000 1.284 75 M HN 0.277 nan 8.290 nan 0.000 0.463 76 F N 1.041 120.966 119.950 -0.042 0.000 2.438 76 F HA 0.237 4.764 4.527 -0.000 0.000 0.356 76 F C 1.112 176.891 175.800 -0.034 0.000 1.099 76 F CA -0.390 57.583 58.000 -0.046 0.000 1.185 76 F CB 0.266 39.224 39.000 -0.070 0.000 1.115 76 F HN 0.229 nan 8.300 nan 0.000 0.526 77 N N 2.188 120.964 118.700 0.126 0.000 2.381 77 N HA 0.152 4.892 4.740 -0.000 0.000 0.254 77 N C 1.445 177.003 175.510 0.079 0.000 1.264 77 N CA -0.349 52.743 53.050 0.071 0.000 0.942 77 N CB 0.464 38.971 38.487 0.034 0.000 1.190 77 N HN 0.576 nan 8.380 nan 0.000 0.495 78 R N -0.027 120.492 120.500 0.032 0.000 2.080 78 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 78 R C 1.856 178.161 176.300 0.008 0.000 1.137 78 R CA 1.335 57.440 56.100 0.009 0.000 0.943 78 R CB -0.485 29.801 30.300 -0.022 0.000 0.846 78 R HN 0.449 nan 8.270 nan 0.000 0.431 79 L N 1.407 122.623 121.223 -0.011 0.000 2.083 79 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 79 L C 1.668 178.578 176.870 0.067 0.000 1.083 79 L CA 1.880 56.708 54.840 -0.021 0.000 0.752 79 L CB -0.405 41.625 42.059 -0.048 0.000 0.899 79 L HN 0.142 nan 8.230 nan 0.000 0.433 80 E N -0.644 119.608 120.200 0.086 0.000 2.150 80 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 80 E C 1.952 178.662 176.600 0.182 0.000 0.985 80 E CA 1.265 57.750 56.400 0.142 0.000 0.814 80 E CB -0.511 29.277 29.700 0.147 0.000 0.752 80 E HN 0.437 nan 8.360 nan 0.000 0.466 81 L N 0.616 121.923 121.223 0.140 0.000 2.017 81 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 81 L C 2.314 179.154 176.870 -0.049 0.000 1.073 81 L CA 2.013 56.841 54.840 -0.019 0.000 0.745 81 L CB -0.776 41.239 42.059 -0.073 0.000 0.894 81 L HN 0.321 nan 8.230 nan 0.000 0.432 82 H N -0.585 118.407 119.070 -0.130 0.000 2.319 82 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 82 H C 1.520 176.676 175.328 -0.286 0.000 1.092 82 H CA 2.206 58.112 56.048 -0.235 0.000 1.302 82 H CB -0.050 29.576 29.762 -0.227 0.000 1.373 82 H HN 0.408 nan 8.280 nan 0.000 0.497 83 D N 0.499 120.877 120.400 -0.037 0.000 2.178 83 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 83 D C 2.280 178.577 176.300 -0.005 0.000 0.974 83 D CA 1.159 55.138 54.000 -0.036 0.000 0.841 83 D CB -0.411 40.445 40.800 0.094 0.000 0.953 83 D HN 0.515 nan 8.370 nan 0.000 0.478 84 A N 0.553 123.394 122.820 0.034 0.000 1.898 84 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 84 A C 2.323 179.932 177.584 0.042 0.000 1.181 84 A CA 0.691 52.783 52.037 0.092 0.000 0.620 84 A CB -0.584 18.506 19.000 0.150 0.000 0.819 84 A HN 0.168 nan 8.150 nan 0.000 0.442 85 I N -1.220 119.322 120.570 -0.046 0.000 2.179 85 I HA -0.278 3.891 4.170 -0.000 0.000 0.242 85 I C 2.444 178.622 176.117 0.102 0.000 1.088 85 I CA 1.560 62.849 61.300 -0.018 0.000 1.357 85 I CB -0.623 37.322 38.000 -0.092 0.000 1.051 85 I HN 0.469 nan 8.210 nan 0.000 0.409 86 H N 0.298 119.334 119.070 -0.057 0.000 2.319 86 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 86 H C 2.399 177.845 175.328 0.198 0.000 1.092 86 H CA 0.987 57.073 56.048 0.063 0.000 1.302 86 H CB 0.046 29.731 29.762 -0.129 0.000 1.373 86 H HN 0.385 nan 8.280 nan 0.000 0.497 87 A N 1.193 124.139 122.820 0.210 0.000 1.902 87 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 87 A C 2.578 180.254 177.584 0.153 0.000 1.181 87 A CA 1.430 53.546 52.037 0.132 0.000 0.623 87 A CB -0.899 18.057 19.000 -0.073 0.000 0.818 87 A HN 0.489 nan 8.150 nan 0.000 0.443 88 A N -0.790 122.100 122.820 0.117 0.000 1.883 88 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 88 A C 2.163 179.817 177.584 0.118 0.000 1.186 88 A CA 1.739 53.834 52.037 0.096 0.000 0.624 88 A CB -0.560 18.494 19.000 0.089 0.000 0.822 88 A HN 0.652 nan 8.150 nan 0.000 0.444 89 Q N -1.546 118.330 119.800 0.127 0.000 2.137 89 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 89 Q C 2.009 178.005 176.000 -0.006 0.000 0.960 89 Q CA 1.178 57.010 55.803 0.048 0.000 0.847 89 Q CB -0.215 28.521 28.738 -0.003 0.000 0.915 89 Q HN 0.815 nan 8.270 nan 0.000 0.448 90 H N -0.763 118.361 119.070 0.090 0.000 2.372 90 H HA -0.036 4.520 4.556 -0.000 0.000 0.301 90 H C 1.453 176.802 175.328 0.034 0.000 1.065 90 H CA 1.082 57.165 56.048 0.058 0.000 1.364 90 H CB 0.160 29.962 29.762 0.065 0.000 1.406 90 H HN 0.340 nan 8.280 nan 0.000 0.521 91 H N 0.178 119.308 119.070 0.100 0.000 2.559 91 H HA -0.026 4.530 4.556 -0.000 0.000 0.273 91 H C 1.830 177.164 175.328 0.010 0.000 1.000 91 H CA 1.010 57.077 56.048 0.031 0.000 1.195 91 H CB 0.302 30.064 29.762 -0.001 0.000 1.368 91 H HN 0.272 nan 8.280 nan 0.000 0.592 92 S N -0.520 115.241 115.700 0.102 0.000 2.539 92 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 92 S C 0.437 175.054 174.600 0.027 0.000 0.987 92 S CA -0.315 57.918 58.200 0.054 0.000 0.929 92 S CB 0.189 63.421 63.200 0.053 0.000 0.832 92 S HN 0.373 nan 8.310 nan 0.000 0.492 93 E N 0.764 120.968 120.200 0.007 0.000 2.328 93 E HA -0.235 4.114 4.350 -0.000 0.000 0.233 93 E C 0.891 177.479 176.600 -0.020 0.000 1.219 93 E CA 0.401 56.788 56.400 -0.022 0.000 0.717 93 E CB -1.998 27.696 29.700 -0.011 0.000 1.210 93 E HN 1.058 nan 8.360 nan 0.000 0.381 94 G N 0.037 108.825 108.800 -0.022 0.000 2.199 94 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.254 94 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.254 94 G C 0.727 175.652 174.900 0.041 0.000 0.982 94 G CA 0.691 45.790 45.100 -0.001 0.000 0.632 94 G HN 0.427 nan 8.290 nan 0.000 0.529 95 R N 0.713 121.239 120.500 0.043 0.000 2.148 95 R HA 0.201 4.541 4.340 -0.000 0.000 0.223 95 R C 0.627 176.980 176.300 0.088 0.000 1.088 95 R CA 1.423 57.560 56.100 0.063 0.000 0.985 95 R CB -0.097 30.230 30.300 0.044 0.000 0.880 95 R HN 0.350 nan 8.270 nan 0.000 0.451 96 S N 1.495 117.242 115.700 0.079 0.000 2.404 96 S HA 0.292 4.762 4.470 -0.000 0.000 0.309 96 S C -0.291 174.386 174.600 0.128 0.000 1.076 96 S CA -0.641 57.618 58.200 0.098 0.000 1.095 96 S CB 1.082 64.324 63.200 0.069 0.000 0.972 96 S HN 0.160 nan 8.310 nan 0.000 0.484 97 L N 2.730 124.054 121.223 0.170 0.000 2.464 97 L HA 0.419 4.759 4.340 -0.000 0.000 0.264 97 L C -0.176 176.806 176.870 0.188 0.000 1.199 97 L CA -0.623 54.312 54.840 0.158 0.000 0.818 97 L CB 0.397 42.540 42.059 0.140 0.000 1.102 97 L HN 0.274 nan 8.230 nan 0.000 0.473 98 V N 3.177 123.170 119.914 0.132 0.000 2.448 98 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 98 V C -0.031 176.101 176.094 0.063 0.000 1.025 98 V CA -0.338 62.031 62.300 0.115 0.000 0.859 98 V CB 1.773 33.633 31.823 0.061 0.000 0.988 98 V HN 0.454 nan 8.190 nan 0.000 0.431 99 I N 4.722 125.329 120.570 0.062 0.000 2.474 99 I HA 0.593 4.763 4.170 -0.000 0.000 0.294 99 I C -0.795 175.169 176.117 -0.255 0.000 1.005 99 I CA -0.838 60.432 61.300 -0.050 0.000 1.113 99 I CB 2.228 40.258 38.000 0.049 0.000 1.289 99 I HN 0.269 nan 8.210 nan 0.000 0.436 100 V N 5.979 125.697 119.914 -0.327 0.000 2.531 100 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 100 V C -0.134 175.652 176.094 -0.513 0.000 1.034 100 V CA -0.760 61.270 62.300 -0.449 0.000 0.865 100 V CB 1.934 33.576 31.823 -0.303 0.000 0.995 100 V HN 0.691 nan 8.190 nan 0.000 0.424 101 R N 4.132 124.196 120.500 -0.727 0.000 2.202 101 R HA 0.659 4.999 4.340 -0.000 0.000 0.334 101 R C -0.534 175.556 176.300 -0.350 0.000 1.036 101 R CA -0.326 55.451 56.100 -0.538 0.000 0.878 101 R CB 1.320 31.255 30.300 -0.608 0.000 1.067 101 R HN 0.692 nan 8.270 nan 0.000 0.457 102 V N 2.163 121.933 119.914 -0.240 0.000 2.966 102 V HA 0.680 4.800 4.120 -0.000 0.000 0.317 102 V C -2.479 173.556 176.094 -0.098 0.000 1.070 102 V CA -2.951 59.267 62.300 -0.137 0.000 1.008 102 V CB 1.355 33.160 31.823 -0.031 0.000 1.070 102 V HN 0.690 nan 8.190 nan 0.000 0.457 103 P HA 0.203 nan 4.420 nan 0.000 0.271 103 P C 0.420 177.726 177.300 0.009 0.000 1.216 103 P CA -0.194 62.878 63.100 -0.048 0.000 0.776 103 P CB 0.591 32.273 31.700 -0.029 0.000 0.881 104 K N 2.002 122.379 120.400 -0.039 0.000 2.160 104 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 104 K C 0.571 177.070 176.600 -0.168 0.000 1.047 104 K CA 1.447 57.674 56.287 -0.100 0.000 0.930 104 K CB -0.013 32.320 32.500 -0.279 0.000 0.720 104 K HN 0.573 nan 8.250 nan 0.000 0.450 105 H N -0.840 118.298 119.070 0.114 0.000 2.662 105 H HA 0.125 4.680 4.556 -0.000 0.000 0.268 105 H C -0.706 174.613 175.328 -0.016 0.000 1.152 105 H CA -0.230 55.837 56.048 0.031 0.000 1.072 105 H CB 0.385 30.156 29.762 0.016 0.000 1.660 105 H HN 0.171 nan 8.280 nan 0.000 0.584 106 D N 1.738 122.182 120.400 0.073 0.000 2.428 106 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 106 D C 0.650 176.939 176.300 -0.018 0.000 1.123 106 D CA -0.062 53.954 54.000 0.026 0.000 0.869 106 D CB 1.090 41.901 40.800 0.019 0.000 1.032 106 D HN 0.332 nan 8.370 nan 0.000 0.506 107 E N 1.586 121.759 120.200 -0.045 0.000 2.153 107 E HA -0.111 4.238 4.350 -0.000 0.000 0.194 107 E C 1.942 178.510 176.600 -0.052 0.000 0.988 107 E CA 0.746 57.099 56.400 -0.078 0.000 0.811 107 E CB 0.492 30.146 29.700 -0.077 0.000 0.746 107 E HN 0.360 nan 8.360 nan 0.000 0.466 108 V N 0.908 120.803 119.914 -0.032 0.000 2.379 108 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 108 V C 2.254 178.332 176.094 -0.028 0.000 1.044 108 V CA 1.641 63.926 62.300 -0.025 0.000 1.036 108 V CB -0.280 31.532 31.823 -0.018 0.000 0.664 108 V HN 0.185 nan 8.190 nan 0.000 0.453 109 S N 0.195 115.879 115.700 -0.025 0.000 2.368 109 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 109 S C 1.879 176.454 174.600 -0.041 0.000 1.030 109 S CA 1.738 59.918 58.200 -0.033 0.000 0.999 109 S CB -0.386 62.796 63.200 -0.030 0.000 0.844 109 S HN 0.451 nan 8.310 nan 0.000 0.459 110 L N 2.360 123.565 121.223 -0.029 0.000 2.017 110 L HA -0.092 4.247 4.340 -0.000 0.000 0.208 110 L C 2.435 179.272 176.870 -0.055 0.000 1.073 110 L CA 2.303 57.127 54.840 -0.026 0.000 0.745 110 L CB -1.053 40.992 42.059 -0.023 0.000 0.894 110 L HN 0.404 nan 8.230 nan 0.000 0.432 111 S N -2.593 113.074 115.700 -0.055 0.000 2.402 111 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 111 S C 1.850 176.428 174.600 -0.035 0.000 1.021 111 S CA 1.456 59.625 58.200 -0.051 0.000 0.974 111 S CB -1.185 61.995 63.200 -0.033 0.000 0.800 111 S HN 0.538 nan 8.310 nan 0.000 0.484 112 T N 2.678 117.213 114.554 -0.032 0.000 2.708 112 T HA 0.098 4.448 4.350 -0.000 0.000 0.266 112 T C 2.250 176.928 174.700 -0.035 0.000 1.037 112 T CA 1.406 63.493 62.100 -0.022 0.000 1.146 112 T CB -0.847 68.005 68.868 -0.028 0.000 0.865 112 T HN 0.635 nan 8.240 nan 0.000 0.435 113 A N 1.176 123.956 122.820 -0.066 0.000 1.877 113 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 113 A C 2.307 179.845 177.584 -0.077 0.000 1.186 113 A CA 1.266 53.248 52.037 -0.091 0.000 0.620 113 A CB -0.839 18.092 19.000 -0.115 0.000 0.822 113 A HN 0.466 nan 8.150 nan 0.000 0.443 114 L N -0.664 120.513 121.223 -0.075 0.000 2.027 114 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 114 L C 2.103 178.939 176.870 -0.058 0.000 1.074 114 L CA 1.399 56.191 54.840 -0.080 0.000 0.745 114 L CB -0.718 41.268 42.059 -0.121 0.000 0.898 114 L HN 0.259 nan 8.230 nan 0.000 0.433 115 D N 0.374 120.751 120.400 -0.038 0.000 2.182 115 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 115 D C 2.080 178.375 176.300 -0.010 0.000 0.986 115 D CA 1.474 55.466 54.000 -0.014 0.000 0.847 115 D CB 0.019 40.841 40.800 0.036 0.000 0.942 115 D HN 0.330 nan 8.370 nan 0.000 0.467 116 A N -0.653 122.159 122.820 -0.013 0.000 2.169 116 A HA 0.387 4.707 4.320 -0.000 0.000 0.212 116 A C 1.718 179.299 177.584 -0.005 0.000 1.153 116 A CA 1.258 53.251 52.037 -0.073 0.000 0.756 116 A CB 0.090 18.951 19.000 -0.231 0.000 0.813 116 A HN 0.278 nan 8.150 nan 0.000 0.471 117 G N -2.375 106.407 108.800 -0.030 0.000 2.159 117 G HA2 0.225 4.185 3.960 -0.000 0.000 0.170 117 G HA3 0.225 4.185 3.960 -0.000 0.000 0.170 117 G C 0.276 175.191 174.900 0.025 0.000 1.007 117 G CA -0.008 45.094 45.100 0.004 0.000 0.672 117 G HN 1.397 nan 8.290 nan 0.000 0.507 118 A N 0.200 123.013 122.820 -0.012 0.000 2.477 118 A HA 0.743 5.063 4.320 -0.000 0.000 0.246 118 A C 1.478 179.066 177.584 0.006 0.000 1.078 118 A CA 1.212 53.238 52.037 -0.018 0.000 0.770 118 A CB 0.764 19.723 19.000 -0.069 0.000 1.011 118 A HN 1.734 nan 8.150 nan 0.000 0.494 119 A N 2.259 125.096 122.820 0.028 0.000 2.220 119 A HA 0.525 4.845 4.320 -0.000 0.000 0.211 119 A C 1.036 178.632 177.584 0.019 0.000 1.176 119 A CA 0.875 52.941 52.037 0.048 0.000 0.834 119 A CB -0.063 18.978 19.000 0.069 0.000 0.868 119 A HN 1.681 nan 8.150 nan 0.000 0.488 120 G N -0.318 108.477 108.800 -0.009 0.000 2.682 120 G HA2 0.538 4.498 3.960 -0.000 0.000 0.300 120 G HA3 0.538 4.498 3.960 -0.000 0.000 0.300 120 G C -1.213 173.630 174.900 -0.096 0.000 1.391 120 G CA -0.321 44.761 45.100 -0.029 0.000 0.990 120 G HN -0.030 nan 8.290 nan 0.000 0.501 121 I N 1.975 122.472 120.570 -0.121 0.000 2.436 121 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 121 I C -0.299 175.674 176.117 -0.240 0.000 1.010 121 I CA -0.927 60.269 61.300 -0.174 0.000 1.098 121 I CB 1.619 39.545 38.000 -0.122 0.000 1.266 121 I HN 0.104 nan 8.210 nan 0.000 0.434 122 V N 7.325 127.073 119.914 -0.276 0.000 2.394 122 V HA 0.435 4.555 4.120 -0.000 0.000 0.282 122 V C 0.262 176.146 176.094 -0.350 0.000 1.031 122 V CA -0.508 61.631 62.300 -0.268 0.000 0.881 122 V CB 1.955 33.708 31.823 -0.117 0.000 0.982 122 V HN 0.421 nan 8.190 nan 0.000 0.451 123 I N 8.376 128.689 120.570 -0.429 0.000 2.312 123 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 123 I C -2.123 173.773 176.117 -0.369 0.000 1.008 123 I CA -1.858 59.096 61.300 -0.577 0.000 1.226 123 I CB 1.865 39.362 38.000 -0.838 0.000 1.371 123 I HN 0.436 nan 8.210 nan 0.000 0.468 124 P HA 0.080 nan 4.420 nan 0.000 0.276 124 P C -0.520 176.573 177.300 -0.345 0.000 1.244 124 P CA 0.138 62.986 63.100 -0.420 0.000 0.801 124 P CB 0.455 31.867 31.700 -0.481 0.000 1.006 125 H N -2.722 116.298 119.070 -0.083 0.000 2.713 125 H HA -0.105 4.451 4.556 -0.000 0.000 0.311 125 H C -0.298 174.997 175.328 -0.056 0.000 1.175 125 H CA 0.069 56.080 56.048 -0.062 0.000 1.143 125 H CB -2.502 27.234 29.762 -0.043 0.000 1.434 125 H HN 0.156 nan 8.280 nan 0.000 0.418 126 V N 0.988 120.881 119.914 -0.034 0.000 2.572 126 V HA 0.002 4.122 4.120 -0.000 0.000 0.291 126 V C 1.383 177.489 176.094 0.020 0.000 1.039 126 V CA 0.800 63.092 62.300 -0.014 0.000 1.055 126 V CB 1.423 33.211 31.823 -0.058 0.000 0.969 126 V HN 0.497 nan 8.190 nan 0.000 0.482 127 E N 1.633 121.857 120.200 0.041 0.000 2.568 127 E HA 0.129 4.479 4.350 -0.000 0.000 0.220 127 E C 0.334 176.960 176.600 0.043 0.000 0.869 127 E CA 0.263 56.692 56.400 0.047 0.000 1.268 127 E CB 1.372 31.106 29.700 0.057 0.000 1.252 127 E HN 0.830 nan 8.360 nan 0.000 0.606 128 T N -2.826 111.754 114.554 0.043 0.000 2.896 128 T HA 0.299 4.648 4.350 -0.000 0.000 0.297 128 T C 0.942 175.662 174.700 0.035 0.000 1.108 128 T CA -0.729 61.395 62.100 0.039 0.000 1.004 128 T CB 1.936 70.831 68.868 0.045 0.000 1.159 128 T HN -0.215 nan 8.240 nan 0.000 0.499 129 V N 1.286 121.215 119.914 0.026 0.000 2.515 129 V HA -0.070 4.049 4.120 -0.000 0.000 0.250 129 V C 2.530 178.645 176.094 0.035 0.000 1.058 129 V CA 1.893 64.204 62.300 0.020 0.000 1.064 129 V CB -0.991 30.838 31.823 0.009 0.000 0.675 129 V HN 0.905 nan 8.190 nan 0.000 0.461 130 E N 0.325 120.550 120.200 0.041 0.000 2.110 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 130 E C 2.178 178.826 176.600 0.079 0.000 0.988 130 E CA 1.299 57.729 56.400 0.050 0.000 0.804 130 E CB -0.253 29.473 29.700 0.044 0.000 0.745 130 E HN 0.674 nan 8.360 nan 0.000 0.458 131 E N -0.051 120.207 120.200 0.096 0.000 2.110 131 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 131 E C 2.016 178.741 176.600 0.208 0.000 0.988 131 E CA 1.194 57.686 56.400 0.153 0.000 0.804 131 E CB 0.016 29.799 29.700 0.139 0.000 0.745 131 E HN 0.090 nan 8.360 nan 0.000 0.458 132 V N 1.195 121.186 119.914 0.128 0.000 2.358 132 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 132 V C 2.145 178.336 176.094 0.161 0.000 1.047 132 V CA 1.574 63.948 62.300 0.123 0.000 1.035 132 V CB -0.440 31.399 31.823 0.028 0.000 0.658 132 V HN 0.188 nan 8.190 nan 0.000 0.452 133 R N -0.193 120.371 120.500 0.107 0.000 2.189 133 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 133 R C 2.200 178.557 176.300 0.094 0.000 1.092 133 R CA 0.820 56.973 56.100 0.088 0.000 0.989 133 R CB -0.185 30.145 30.300 0.050 0.000 0.876 133 R HN 0.498 nan 8.270 nan 0.000 0.457 134 E N 0.101 120.362 120.200 0.101 0.000 2.150 134 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 134 E C 1.663 178.238 176.600 -0.042 0.000 0.985 134 E CA 1.068 57.481 56.400 0.021 0.000 0.814 134 E CB -0.110 29.593 29.700 0.005 0.000 0.752 134 E HN 0.270 nan 8.360 nan 0.000 0.466 135 F N 0.286 120.247 119.950 0.018 0.000 2.206 135 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 135 F C 2.396 178.221 175.800 0.041 0.000 1.090 135 F CA 0.498 58.502 58.000 0.005 0.000 1.323 135 F CB -0.340 38.653 39.000 -0.012 0.000 1.028 135 F HN -0.155 nan 8.300 nan 0.000 0.492 136 V N 0.246 120.312 119.914 0.253 0.000 2.332 136 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 136 V C 2.221 178.445 176.094 0.217 0.000 1.055 136 V CA 1.891 64.367 62.300 0.293 0.000 1.038 136 V CB -0.646 31.287 31.823 0.184 0.000 0.651 136 V HN 0.279 nan 8.190 nan 0.000 0.450 137 K N -0.297 120.163 120.400 0.100 0.000 2.063 137 K HA -0.178 4.141 4.320 -0.000 0.000 0.208 137 K C 2.086 178.689 176.600 0.004 0.000 1.048 137 K CA 1.449 57.765 56.287 0.049 0.000 0.928 137 K CB -0.160 32.346 32.500 0.010 0.000 0.713 137 K HN 0.418 nan 8.250 nan 0.000 0.442 138 E N 0.022 120.189 120.200 -0.055 0.000 2.385 138 E HA 0.007 4.356 4.350 -0.000 0.000 0.194 138 E C 1.743 178.248 176.600 -0.159 0.000 1.013 138 E CA 0.733 57.063 56.400 -0.117 0.000 0.866 138 E CB 0.162 29.743 29.700 -0.198 0.000 0.832 138 E HN 0.383 nan 8.360 nan 0.000 0.500 139 M N -0.735 118.769 119.600 -0.160 0.000 2.501 139 M HA 0.041 4.521 4.480 -0.000 0.000 0.261 139 M C -0.141 175.740 176.300 -0.698 0.000 1.129 139 M CA 0.643 55.695 55.300 -0.413 0.000 1.126 139 M CB 0.403 32.716 32.600 -0.478 0.000 1.359 139 M HN -0.092 nan 8.290 nan 0.000 0.471 140 Y N -1.631 118.583 120.300 -0.144 0.000 2.485 140 Y HA 0.415 4.965 4.550 -0.000 0.000 0.345 140 Y C -0.557 175.246 175.900 -0.161 0.000 0.998 140 Y CA -1.552 56.449 58.100 -0.164 0.000 1.059 140 Y CB 0.838 39.279 38.460 -0.031 0.000 1.234 140 Y HN -0.126 nan 8.280 nan 0.000 0.461 141 Y N 0.663 121.075 120.300 0.186 0.000 2.314 141 Y HA 0.378 4.928 4.550 -0.000 0.000 0.334 141 Y C 1.160 177.115 175.900 0.092 0.000 1.266 141 Y CA -0.355 57.817 58.100 0.121 0.000 1.391 141 Y CB 0.309 38.834 38.460 0.109 0.000 1.306 141 Y HN 0.751 nan 8.280 nan 0.000 0.558 142 G N 1.656 110.597 108.800 0.235 0.000 2.559 142 G HA2 0.159 4.119 3.960 -0.000 0.000 0.235 142 G HA3 0.159 4.119 3.960 -0.000 0.000 0.235 142 G C -1.527 173.431 174.900 0.097 0.000 1.266 142 G CA -0.953 44.220 45.100 0.122 0.000 0.847 142 G HN 0.599 nan 8.290 nan 0.000 0.583 143 P HA 0.030 nan 4.420 nan 0.000 0.245 143 P C 1.581 178.902 177.300 0.036 0.000 1.212 143 P CA 0.351 63.471 63.100 0.035 0.000 0.774 143 P CB 0.301 32.009 31.700 0.012 0.000 0.999 144 I N -0.909 119.692 120.570 0.052 0.000 2.233 144 I HA 0.001 4.171 4.170 -0.000 0.000 0.243 144 I C 1.707 177.862 176.117 0.064 0.000 1.093 144 I CA 1.301 62.617 61.300 0.026 0.000 1.380 144 I CB -0.530 37.458 38.000 -0.020 0.000 1.067 144 I HN 0.055 nan 8.210 nan 0.000 0.413 145 G N 0.452 109.322 108.800 0.117 0.000 3.195 145 G HA2 0.465 4.425 3.960 -0.000 0.000 0.217 145 G HA3 0.465 4.425 3.960 -0.000 0.000 0.217 145 G C -0.052 174.901 174.900 0.088 0.000 1.166 145 G CA -0.478 44.686 45.100 0.106 0.000 0.812 145 G HN 0.254 nan 8.290 nan 0.000 0.617 146 R N -0.152 120.387 120.500 0.065 0.000 2.615 146 R HA 0.335 4.674 4.340 -0.000 0.000 0.448 146 R C 0.392 176.727 176.300 0.059 0.000 1.009 146 R CA -0.586 55.554 56.100 0.067 0.000 1.111 146 R CB 0.350 30.674 30.300 0.041 0.000 1.461 146 R HN 0.373 nan 8.270 nan 0.000 0.587 147 R N 1.666 122.174 120.500 0.013 0.000 2.583 147 R HA 0.011 4.351 4.340 -0.000 0.000 0.274 147 R C -0.461 175.906 176.300 0.111 0.000 0.998 147 R CA 0.469 56.528 56.100 -0.069 0.000 1.081 147 R CB 0.706 30.772 30.300 -0.390 0.000 0.940 147 R HN 0.192 nan 8.270 nan 0.000 0.413 148 S N 3.882 119.646 115.700 0.106 0.000 2.545 148 S HA 0.145 4.614 4.470 -0.000 0.000 0.275 148 S C -0.606 174.204 174.600 0.349 0.000 1.299 148 S CA -0.656 57.668 58.200 0.206 0.000 1.048 148 S CB 0.331 63.602 63.200 0.118 0.000 0.938 148 S HN 0.437 nan 8.310 nan 0.000 0.496 149 F N 4.860 124.972 119.950 0.270 0.000 2.445 149 F HA 0.400 4.927 4.527 -0.000 0.000 0.359 149 F C 0.571 176.479 175.800 0.181 0.000 1.101 149 F CA -0.037 58.130 58.000 0.278 0.000 1.177 149 F CB 0.896 39.939 39.000 0.071 0.000 1.110 149 F HN 0.529 nan 8.300 nan 0.000 0.522 150 S N 7.639 123.181 115.700 -0.263 0.000 2.537 150 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 150 S C -1.474 173.023 174.600 -0.171 0.000 1.272 150 S CA -1.447 56.679 58.200 -0.122 0.000 1.050 150 S CB 1.118 64.320 63.200 0.005 0.000 0.961 150 S HN 0.608 nan 8.310 nan 0.000 0.496 151 P HA 0.132 nan 4.420 nan 0.000 0.234 151 P C 0.384 177.439 177.300 -0.408 0.000 1.175 151 P CA 0.457 63.363 63.100 -0.323 0.000 0.801 151 P CB -0.039 31.278 31.700 -0.638 0.000 0.891 152 W N 1.118 122.418 121.300 -0.000 0.000 3.180 152 W HA 0.071 4.731 4.660 -0.000 0.000 0.254 152 W C 1.918 178.464 176.519 0.045 0.000 1.318 152 W CA 1.004 58.339 57.345 -0.016 0.000 1.608 152 W CB -1.327 28.127 29.460 -0.010 0.000 1.124 152 W HN -0.018 nan 8.180 nan 0.000 0.694 153 T N -1.913 112.821 114.554 0.300 0.000 3.067 153 T HA 0.054 4.404 4.350 -0.000 0.000 0.261 153 T C 0.279 175.230 174.700 0.418 0.000 1.110 153 T CA 0.452 62.735 62.100 0.306 0.000 1.113 153 T CB -0.585 68.395 68.868 0.187 0.000 0.917 153 T HN 0.079 nan 8.240 nan 0.000 0.499 154 F N -0.672 119.379 119.950 0.169 0.000 2.869 154 F HA 0.830 5.357 4.527 -0.000 0.000 0.325 154 F C -0.971 174.913 175.800 0.141 0.000 1.184 154 F CA -2.244 55.871 58.000 0.191 0.000 0.951 154 F CB 1.531 40.680 39.000 0.249 0.000 1.421 154 F HN -0.157 nan 8.300 nan 0.000 0.501 155 S N 1.441 117.141 115.700 0.001 0.000 2.779 155 S HA 0.600 5.070 4.470 -0.000 0.000 0.293 155 S C -3.100 171.507 174.600 0.012 0.000 1.150 155 S CA -1.433 56.691 58.200 -0.127 0.000 1.057 155 S CB 0.825 64.021 63.200 -0.006 0.000 1.021 155 S HN 0.410 nan 8.310 nan 0.000 0.485 156 P HA 0.175 nan 4.420 nan 0.000 0.260 156 P C 0.958 178.287 177.300 0.048 0.000 1.172 156 P CA 1.382 64.534 63.100 0.087 0.000 0.760 156 P CB 0.298 32.046 31.700 0.079 0.000 0.773 157 G N 2.636 111.462 108.800 0.043 0.000 2.189 157 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 157 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 157 G C 0.670 175.587 174.900 0.028 0.000 0.975 157 G CA 0.446 45.560 45.100 0.024 0.000 0.644 157 G HN 0.520 nan 8.290 nan 0.000 0.537 158 I N -0.954 119.642 120.570 0.045 0.000 3.878 158 I HA 0.504 4.674 4.170 -0.000 0.000 0.273 158 I C 1.244 177.399 176.117 0.063 0.000 1.165 158 I CA 0.693 62.019 61.300 0.044 0.000 1.360 158 I CB 0.655 38.677 38.000 0.037 0.000 1.539 158 I HN 0.374 nan 8.210 nan 0.000 0.447 159 A N 1.656 124.537 122.820 0.101 0.000 2.815 159 A HA 0.506 4.825 4.320 -0.000 0.000 0.318 159 A C -1.097 176.614 177.584 0.212 0.000 1.186 159 A CA -0.292 51.827 52.037 0.137 0.000 0.754 159 A CB -0.233 18.855 19.000 0.148 0.000 1.151 159 A HN 0.379 nan 8.150 nan 0.000 0.452 160 D N 0.296 120.772 120.400 0.126 0.000 2.704 160 D HA 0.320 4.959 4.640 -0.000 0.000 0.291 160 D C 0.352 176.604 176.300 -0.080 0.000 1.610 160 D CA 0.443 54.479 54.000 0.059 0.000 0.807 160 D CB -0.501 40.340 40.800 0.068 0.000 1.233 160 D HN 0.529 nan 8.370 nan 0.000 0.445 161 A N 0.147 122.944 122.820 -0.039 0.000 2.483 161 A HA 0.546 4.866 4.320 -0.000 0.000 0.238 161 A C 0.368 177.880 177.584 -0.120 0.000 1.070 161 A CA 0.117 52.116 52.037 -0.062 0.000 0.770 161 A CB 0.581 19.569 19.000 -0.019 0.000 1.008 161 A HN 0.299 nan 8.150 nan 0.000 0.497 162 S N 0.679 116.321 115.700 -0.096 0.000 2.588 162 S HA 0.510 4.980 4.470 -0.000 0.000 0.275 162 S C 0.460 175.036 174.600 -0.041 0.000 1.130 162 S CA -0.704 57.451 58.200 -0.075 0.000 0.855 162 S CB 0.875 64.035 63.200 -0.066 0.000 1.116 162 S HN 0.589 nan 8.310 nan 0.000 0.472 163 L N 1.743 122.935 121.223 -0.050 0.000 2.395 163 L HA 0.259 4.599 4.340 -0.000 0.000 0.218 163 L C -0.221 176.415 176.870 -0.390 0.000 1.130 163 L CA 0.562 55.262 54.840 -0.232 0.000 0.826 163 L CB -0.192 41.660 42.059 -0.345 0.000 0.941 163 L HN 0.494 nan 8.230 nan 0.000 0.451 164 F N -0.031 119.889 119.950 -0.051 0.000 2.377 164 F HA 0.376 4.903 4.527 -0.000 0.000 0.328 164 F C -1.859 173.912 175.800 -0.048 0.000 1.094 164 F CA -2.958 55.017 58.000 -0.042 0.000 1.093 164 F CB -0.215 38.752 39.000 -0.055 0.000 1.214 164 F HN -0.311 nan 8.300 nan 0.000 0.518 165 P HA 0.055 nan 4.420 nan 0.000 0.271 165 P C -0.600 176.733 177.300 0.055 0.000 1.216 165 P CA -0.112 63.024 63.100 0.061 0.000 0.776 165 P CB 0.315 32.046 31.700 0.052 0.000 0.881 166 N N 0.892 119.604 118.700 0.020 0.000 2.698 166 N HA -0.241 4.498 4.740 -0.000 0.000 0.258 166 N C -0.426 175.088 175.510 0.007 0.000 0.978 166 N CA 0.998 54.053 53.050 0.008 0.000 0.777 166 N CB -1.197 37.299 38.487 0.014 0.000 0.907 166 N HN 0.577 nan 8.380 nan 0.000 0.543 167 D N -1.020 119.373 120.400 -0.012 0.000 2.886 167 D HA 0.296 4.936 4.640 -0.000 0.000 0.355 167 D C -1.753 174.462 176.300 -0.142 0.000 1.274 167 D CA -1.825 52.153 54.000 -0.037 0.000 0.836 167 D CB 0.654 41.462 40.800 0.013 0.000 1.109 167 D HN 0.041 nan 8.370 nan 0.000 0.488 168 P HA -0.098 nan 4.420 nan 0.000 0.223 168 P C 0.191 176.963 177.300 -0.879 0.000 1.144 168 P CA 1.036 63.831 63.100 -0.507 0.000 0.783 168 P CB 0.018 31.370 31.700 -0.581 0.000 0.771 169 Y N -2.486 117.658 120.300 -0.259 0.000 2.467 169 Y HA 0.261 4.811 4.550 -0.000 0.000 0.250 169 Y C 0.831 176.565 175.900 -0.277 0.000 1.155 169 Y CA -0.420 57.473 58.100 -0.345 0.000 1.249 169 Y CB -0.563 37.661 38.460 -0.392 0.000 1.146 169 Y HN -0.144 nan 8.280 nan 0.000 0.524 170 N N -0.091 118.454 118.700 -0.258 0.000 2.725 170 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 170 N C 0.990 176.444 175.510 -0.093 0.000 1.103 170 N CA 0.786 53.663 53.050 -0.288 0.000 0.707 170 N CB -1.068 36.968 38.487 -0.753 0.000 1.043 170 N HN 0.226 nan 8.380 nan 0.000 0.553 171 V N 0.037 119.901 119.914 -0.083 0.000 2.427 171 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 171 V C 2.424 178.484 176.094 -0.056 0.000 1.051 171 V CA 2.331 64.583 62.300 -0.081 0.000 1.048 171 V CB -0.342 31.348 31.823 -0.222 0.000 0.666 171 V HN 0.573 nan 8.190 nan 0.000 0.456 172 A N -0.461 122.226 122.820 -0.222 0.000 1.898 172 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 172 A C 2.393 179.535 177.584 -0.736 0.000 1.181 172 A CA 2.293 54.029 52.037 -0.502 0.000 0.620 172 A CB -0.906 17.690 19.000 -0.673 0.000 0.819 172 A HN 0.479 nan 8.150 nan 0.000 0.442 173 T N 0.273 114.504 114.554 -0.538 0.000 2.652 173 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 173 T C 2.286 176.815 174.700 -0.285 0.000 1.039 173 T CA 1.923 63.746 62.100 -0.462 0.000 1.153 173 T CB -0.376 68.362 68.868 -0.216 0.000 0.863 173 T HN 0.488 nan 8.240 nan 0.000 0.428 174 S N 1.609 117.300 115.700 -0.016 0.000 2.356 174 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 174 S C 2.055 176.739 174.600 0.140 0.000 1.032 174 S CA 0.987 59.267 58.200 0.132 0.000 1.005 174 S CB -0.418 62.977 63.200 0.324 0.000 0.867 174 S HN 0.419 nan 8.310 nan 0.000 0.449 175 N N 1.684 120.473 118.700 0.149 0.000 2.396 175 N HA 0.071 4.811 4.740 -0.000 0.000 0.180 175 N C 1.028 176.607 175.510 0.116 0.000 1.028 175 N CA 0.539 53.730 53.050 0.234 0.000 0.893 175 N CB -0.272 38.321 38.487 0.176 0.000 0.967 175 N HN 0.328 nan 8.380 nan 0.000 0.440 176 N N -0.837 117.852 118.700 -0.018 0.000 2.388 176 N HA 0.036 4.776 4.740 -0.000 0.000 0.176 176 N C 1.005 176.669 175.510 0.257 0.000 1.062 176 N CA 0.493 53.572 53.050 0.048 0.000 0.895 176 N CB 0.055 38.502 38.487 -0.067 0.000 1.018 176 N HN 0.516 nan 8.380 nan 0.000 0.456 177 H N -0.627 118.495 119.070 0.087 0.000 2.516 177 H HA 0.230 4.785 4.556 -0.000 0.000 0.284 177 H C 0.124 175.476 175.328 0.040 0.000 0.999 177 H CA -0.123 55.980 56.048 0.092 0.000 1.303 177 H CB 1.025 30.874 29.762 0.144 0.000 1.452 177 H HN -0.144 nan 8.280 nan 0.000 0.530 178 V N 2.106 122.138 119.914 0.197 0.000 2.614 178 V HA -0.020 4.100 4.120 -0.000 0.000 0.291 178 V C 0.248 176.396 176.094 0.090 0.000 1.049 178 V CA -0.113 62.247 62.300 0.101 0.000 1.038 178 V CB 0.818 32.631 31.823 -0.018 0.000 0.980 178 V HN 0.381 nan 8.190 nan 0.000 0.481 179 C N 5.771 125.097 119.300 0.042 0.000 2.529 179 C HA 0.658 5.118 4.460 -0.000 0.000 0.329 179 C C -0.010 175.109 174.990 0.215 0.000 1.194 179 C CA -0.835 58.249 59.018 0.110 0.000 1.779 179 C CB 1.044 28.805 27.740 0.036 0.000 2.322 179 C HN 0.700 nan 8.230 nan 0.000 0.500 180 I N 2.567 123.380 120.570 0.405 0.000 2.406 180 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 180 I C -1.010 175.055 176.117 -0.087 0.000 0.999 180 I CA -0.298 61.062 61.300 0.099 0.000 1.124 180 I CB 1.285 39.362 38.000 0.128 0.000 1.289 180 I HN 0.459 nan 8.210 nan 0.000 0.441 181 I N 8.259 128.688 120.570 -0.236 0.000 2.466 181 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 181 I C -2.512 173.435 176.117 -0.284 0.000 1.033 181 I CA -1.670 59.414 61.300 -0.361 0.000 1.123 181 I CB 1.411 39.003 38.000 -0.681 0.000 1.237 181 I HN 0.233 nan 8.210 nan 0.000 0.460 182 P HA 0.166 nan 4.420 nan 0.000 0.275 182 P C -1.063 176.166 177.300 -0.118 0.000 1.227 182 P CA -0.476 62.519 63.100 -0.176 0.000 0.781 182 P CB 0.612 32.244 31.700 -0.114 0.000 0.906 183 Q N 2.808 122.525 119.800 -0.138 0.000 2.322 183 Q HA 0.403 4.742 4.340 -0.000 0.000 0.265 183 Q C -1.104 174.811 176.000 -0.141 0.000 0.985 183 Q CA -0.590 55.144 55.803 -0.114 0.000 0.849 183 Q CB 0.671 29.319 28.738 -0.150 0.000 1.274 183 Q HN 0.296 nan 8.270 nan 0.000 0.449 184 I N 4.758 125.241 120.570 -0.144 0.000 2.304 184 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 184 I C 0.135 175.904 176.117 -0.580 0.000 1.018 184 I CA 0.124 61.293 61.300 -0.218 0.000 1.260 184 I CB 0.859 38.853 38.000 -0.010 0.000 1.390 184 I HN 0.878 nan 8.210 nan 0.000 0.475 185 E N 4.069 124.055 120.200 -0.357 0.000 3.625 185 E HA 0.237 4.587 4.350 -0.000 0.000 0.166 185 E C -0.599 175.991 176.600 -0.017 0.000 0.978 185 E CA -0.448 55.754 56.400 -0.331 0.000 1.429 185 E CB 0.411 29.970 29.700 -0.236 0.000 1.100 185 E HN 0.464 nan 8.360 nan 0.000 0.428 186 S N -1.442 114.295 115.700 0.062 0.000 2.596 186 S HA 0.363 4.833 4.470 -0.000 0.000 0.270 186 S C 0.772 175.505 174.600 0.221 0.000 1.155 186 S CA -0.586 57.689 58.200 0.125 0.000 0.827 186 S CB 1.570 64.818 63.200 0.080 0.000 1.130 186 S HN -0.069 nan 8.310 nan 0.000 0.467 187 V N 1.949 121.948 119.914 0.141 0.000 2.343 187 V HA -0.161 3.958 4.120 -0.000 0.000 0.247 187 V C 2.564 178.748 176.094 0.150 0.000 1.051 187 V CA 2.105 64.518 62.300 0.188 0.000 1.036 187 V CB -0.927 30.935 31.823 0.066 0.000 0.654 187 V HN 0.907 nan 8.190 nan 0.000 0.451 188 K N 0.036 120.493 120.400 0.096 0.000 2.148 188 K HA -0.088 4.231 4.320 -0.000 0.000 0.204 188 K C 2.234 178.884 176.600 0.083 0.000 1.050 188 K CA 1.295 57.629 56.287 0.078 0.000 0.942 188 K CB -0.553 31.982 32.500 0.057 0.000 0.724 188 K HN 0.571 nan 8.250 nan 0.000 0.446 189 G N 0.922 109.774 108.800 0.087 0.000 2.402 189 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 189 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 189 G C 1.555 176.515 174.900 0.099 0.000 1.162 189 G CA 0.531 45.674 45.100 0.073 0.000 0.777 189 G HN 0.083 nan 8.290 nan 0.000 0.539 190 V N 0.930 120.925 119.914 0.136 0.000 2.343 190 V HA -0.157 3.962 4.120 -0.000 0.000 0.247 190 V C 2.651 178.820 176.094 0.125 0.000 1.051 190 V CA 2.108 64.504 62.300 0.160 0.000 1.036 190 V CB -0.462 31.476 31.823 0.192 0.000 0.654 190 V HN 0.493 nan 8.190 nan 0.000 0.451 191 E N 0.128 120.397 120.200 0.114 0.000 2.204 191 E HA -0.206 4.143 4.350 -0.000 0.000 0.195 191 E C 1.393 178.031 176.600 0.064 0.000 0.990 191 E CA 1.207 57.658 56.400 0.085 0.000 0.821 191 E CB -0.135 29.612 29.700 0.078 0.000 0.750 191 E HN 0.510 nan 8.360 nan 0.000 0.477 192 N N 0.083 118.822 118.700 0.064 0.000 2.234 192 N HA -0.013 4.727 4.740 -0.000 0.000 0.227 192 N C 0.903 176.440 175.510 0.044 0.000 1.151 192 N CA -0.054 53.024 53.050 0.047 0.000 0.865 192 N CB 0.739 39.251 38.487 0.042 0.000 1.066 192 N HN -0.063 nan 8.380 nan 0.000 0.515 193 V N 0.020 119.971 119.914 0.062 0.000 2.626 193 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 193 V C 1.181 177.280 176.094 0.009 0.000 1.067 193 V CA 1.830 64.166 62.300 0.059 0.000 1.081 193 V CB -0.226 31.670 31.823 0.122 0.000 0.686 193 V HN 0.287 nan 8.190 nan 0.000 0.468 194 D N 0.680 121.083 120.400 0.005 0.000 2.117 194 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 194 D C 2.194 178.482 176.300 -0.020 0.000 0.987 194 D CA 1.709 55.700 54.000 -0.016 0.000 0.829 194 D CB -0.304 40.491 40.800 -0.008 0.000 0.961 194 D HN 0.565 nan 8.370 nan 0.000 0.460 195 A N 0.634 123.450 122.820 -0.008 0.000 1.897 195 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 195 A C 2.382 179.954 177.584 -0.019 0.000 1.181 195 A CA 0.687 52.717 52.037 -0.011 0.000 0.620 195 A CB -0.594 18.406 19.000 0.000 0.000 0.821 195 A HN 0.164 nan 8.150 nan 0.000 0.443 196 I N -0.152 120.409 120.570 -0.015 0.000 2.252 196 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 196 I C 2.889 178.974 176.117 -0.053 0.000 1.102 196 I CA 1.034 62.319 61.300 -0.025 0.000 1.385 196 I CB -0.291 37.705 38.000 -0.007 0.000 1.064 196 I HN 0.332 nan 8.210 nan 0.000 0.414 197 A N 0.631 123.412 122.820 -0.065 0.000 2.019 197 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 197 A C 2.358 179.888 177.584 -0.089 0.000 1.164 197 A CA 1.620 53.596 52.037 -0.102 0.000 0.644 197 A CB -0.587 18.334 19.000 -0.132 0.000 0.805 197 A HN 0.434 nan 8.150 nan 0.000 0.449 198 A N -0.973 121.807 122.820 -0.066 0.000 2.238 198 A HA 0.373 4.693 4.320 -0.000 0.000 0.208 198 A C 1.019 178.568 177.584 -0.059 0.000 1.177 198 A CA -0.180 51.823 52.037 -0.058 0.000 0.804 198 A CB -0.465 18.510 19.000 -0.042 0.000 0.823 198 A HN 0.524 nan 8.150 nan 0.000 0.482 199 M N 0.643 120.202 119.600 -0.067 0.000 2.269 199 M HA 0.094 4.574 4.480 -0.000 0.000 0.350 199 M C -1.592 174.651 176.300 -0.096 0.000 1.429 199 M CA -1.198 54.059 55.300 -0.072 0.000 1.063 199 M CB 0.531 33.087 32.600 -0.073 0.000 1.841 199 M HN -0.028 nan 8.290 nan 0.000 0.455 200 P HA -0.103 nan 4.420 nan 0.000 0.223 200 P C 0.336 177.550 177.300 -0.144 0.000 1.151 200 P CA 1.096 64.141 63.100 -0.092 0.000 0.787 200 P CB 0.186 31.848 31.700 -0.063 0.000 0.788 201 E N -0.212 119.894 120.200 -0.158 0.000 2.358 201 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 201 E C 1.191 177.529 176.600 -0.436 0.000 1.010 201 E CA 0.181 56.449 56.400 -0.219 0.000 0.856 201 E CB -0.536 29.089 29.700 -0.126 0.000 0.795 201 E HN 0.425 nan 8.360 nan 0.000 0.504 202 I N -1.975 118.353 120.570 -0.404 0.000 2.713 202 I HA 0.281 4.451 4.170 -0.000 0.000 0.300 202 I C 0.098 175.814 176.117 -0.668 0.000 1.009 202 I CA -0.523 60.477 61.300 -0.499 0.000 1.305 202 I CB 1.030 38.883 38.000 -0.245 0.000 1.430 202 I HN -0.086 nan 8.210 nan 0.000 0.546 203 H N 2.604 121.646 119.070 -0.047 0.000 3.058 203 H HA 0.572 5.127 4.556 -0.000 0.000 0.266 203 H C 0.393 175.722 175.328 0.001 0.000 1.135 203 H CA -0.028 56.013 56.048 -0.012 0.000 1.174 203 H CB 1.055 30.829 29.762 0.020 0.000 1.581 203 H HN 0.901 nan 8.280 nan 0.000 0.553 204 G N 0.089 108.857 108.800 -0.053 0.000 2.523 204 G HA2 0.513 4.472 3.960 -0.000 0.000 0.291 204 G HA3 0.513 4.472 3.960 -0.000 0.000 0.291 204 G C -2.084 172.706 174.900 -0.183 0.000 1.450 204 G CA -0.798 44.256 45.100 -0.077 0.000 0.790 204 G HN 0.047 nan 8.290 nan 0.000 0.496 205 L N 0.528 121.708 121.223 -0.071 0.000 2.455 205 L HA 0.749 5.089 4.340 -0.000 0.000 0.264 205 L C -0.439 176.569 176.870 0.230 0.000 0.968 205 L CA -0.711 54.129 54.840 0.001 0.000 0.827 205 L CB 2.547 44.530 42.059 -0.126 0.000 1.317 205 L HN 0.666 nan 8.230 nan 0.000 0.407 206 M N 2.397 122.161 119.600 0.274 0.000 2.530 206 M HA 0.540 5.020 4.480 -0.000 0.000 0.307 206 M C -1.945 174.421 176.300 0.111 0.000 1.161 206 M CA -0.481 54.974 55.300 0.257 0.000 0.903 206 M CB 2.636 35.314 32.600 0.130 0.000 1.711 206 M HN 0.461 nan 8.290 nan 0.000 0.451 207 F N 1.176 120.947 119.950 -0.299 0.000 2.507 207 F HA 0.766 5.293 4.527 -0.000 0.000 0.327 207 F C 0.160 175.840 175.800 -0.200 0.000 1.068 207 F CA -0.324 57.334 58.000 -0.571 0.000 0.965 207 F CB 2.066 40.468 39.000 -0.996 0.000 1.192 207 F HN 0.569 nan 8.300 nan 0.000 0.476 208 G N 4.957 113.476 108.800 -0.468 0.000 3.205 208 G HA2 0.385 4.345 3.960 -0.000 0.000 0.343 208 G HA3 0.385 4.345 3.960 -0.000 0.000 0.343 208 G C -2.466 172.443 174.900 0.016 0.000 1.305 208 G CA -1.373 43.643 45.100 -0.140 0.000 1.120 208 G HN 0.455 nan 8.290 nan 0.000 0.472 209 P HA -0.136 nan 4.420 nan 0.000 0.215 209 P C 2.151 179.650 177.300 0.331 0.000 1.157 209 P CA 1.688 65.130 63.100 0.570 0.000 0.868 209 P CB 0.339 32.308 31.700 0.448 0.000 0.788 210 G N -0.071 108.834 108.800 0.175 0.000 2.453 210 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 210 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 210 G C 1.370 176.329 174.900 0.098 0.000 1.201 210 G CA 1.045 46.209 45.100 0.107 0.000 0.784 210 G HN 0.163 nan 8.290 nan 0.000 0.545 211 D N -0.693 119.765 120.400 0.098 0.000 2.144 211 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 211 D C 1.945 178.287 176.300 0.070 0.000 0.984 211 D CA 0.841 54.894 54.000 0.089 0.000 0.834 211 D CB -0.242 40.642 40.800 0.139 0.000 0.955 211 D HN 0.382 nan 8.370 nan 0.000 0.465 212 Y N 1.155 121.459 120.300 0.006 0.000 2.114 212 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 212 Y C 2.397 178.359 175.900 0.104 0.000 1.143 212 Y CA 1.587 59.708 58.100 0.035 0.000 1.135 212 Y CB -0.368 38.139 38.460 0.078 0.000 0.980 212 Y HN -0.139 nan 8.280 nan 0.000 0.499 213 M N -0.366 119.269 119.600 0.058 0.000 2.108 213 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 213 M C 2.161 178.371 176.300 -0.149 0.000 1.066 213 M CA 1.970 57.231 55.300 -0.065 0.000 1.107 213 M CB -0.501 32.115 32.600 0.026 0.000 1.356 213 M HN 0.341 nan 8.290 nan 0.000 0.406 214 I N -0.012 120.506 120.570 -0.087 0.000 2.179 214 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 214 I C 2.043 178.089 176.117 -0.118 0.000 1.088 214 I CA 1.438 62.690 61.300 -0.079 0.000 1.357 214 I CB -0.512 37.468 38.000 -0.034 0.000 1.051 214 I HN 0.279 nan 8.210 nan 0.000 0.409 215 D N 0.936 121.246 120.400 -0.151 0.000 2.178 215 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 215 D C 1.950 178.119 176.300 -0.218 0.000 0.974 215 D CA 1.189 55.096 54.000 -0.154 0.000 0.841 215 D CB 0.136 40.860 40.800 -0.127 0.000 0.953 215 D HN 0.298 nan 8.370 nan 0.000 0.478 216 A N -0.858 121.738 122.820 -0.373 0.000 2.251 216 A HA 0.447 4.767 4.320 -0.000 0.000 0.209 216 A C 1.740 179.193 177.584 -0.219 0.000 1.187 216 A CA 0.806 52.627 52.037 -0.360 0.000 0.823 216 A CB -0.480 18.136 19.000 -0.639 0.000 0.846 216 A HN 0.380 nan 8.150 nan 0.000 0.486 217 G N -0.730 107.965 108.800 -0.174 0.000 2.176 217 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 217 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 217 G C -0.055 174.767 174.900 -0.129 0.000 1.024 217 G CA 0.451 45.479 45.100 -0.119 0.000 0.755 217 G HN 0.473 nan 8.290 nan 0.000 0.507 218 L N 1.143 122.271 121.223 -0.157 0.000 2.307 218 L HA 0.357 4.697 4.340 -0.000 0.000 0.282 218 L C 0.286 177.112 176.870 -0.075 0.000 1.051 218 L CA -1.078 53.672 54.840 -0.151 0.000 0.804 218 L CB 1.080 43.034 42.059 -0.175 0.000 1.197 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 D N 4.675 125.055 120.400 -0.034 0.000 2.380 219 D HA 0.068 4.708 4.640 -0.000 0.000 0.270 219 D C 0.205 176.486 176.300 -0.031 0.000 1.363 219 D CA -0.287 53.701 54.000 -0.020 0.000 1.057 219 D CB 0.095 40.898 40.800 0.004 0.000 1.096 219 D HN 0.381 nan 8.370 nan 0.000 0.524 220 L N -0.287 120.910 121.223 -0.042 0.000 2.540 220 L HA 0.053 4.393 4.340 -0.000 0.000 0.276 220 L C 0.576 177.416 176.870 -0.050 0.000 1.212 220 L CA -0.540 54.269 54.840 -0.052 0.000 0.893 220 L CB -0.285 41.753 42.059 -0.036 0.000 1.138 220 L HN 0.387 nan 8.230 nan 0.000 0.491 221 N N 2.277 120.939 118.700 -0.064 0.000 2.738 221 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 221 N C 0.221 175.706 175.510 -0.042 0.000 1.047 221 N CA 0.994 54.009 53.050 -0.058 0.000 0.707 221 N CB -1.038 37.413 38.487 -0.060 0.000 0.937 221 N HN 1.148 nan 8.380 nan 0.000 0.545 222 G N -1.013 107.768 108.800 -0.032 0.000 4.543 222 G HA2 0.570 4.530 3.960 -0.000 0.000 0.286 222 G HA3 0.570 4.530 3.960 -0.000 0.000 0.286 222 G C 0.055 174.955 174.900 -0.000 0.000 1.112 222 G CA 0.169 45.262 45.100 -0.012 0.000 0.870 222 G HN 0.690 nan 8.290 nan 0.000 0.540 223 A N 0.978 123.791 122.820 -0.011 0.000 2.671 223 A HA 0.545 4.865 4.320 -0.000 0.000 0.306 223 A C 1.525 179.105 177.584 -0.007 0.000 1.473 223 A CA -0.409 51.625 52.037 -0.005 0.000 1.155 223 A CB -0.126 18.867 19.000 -0.012 0.000 1.123 223 A HN 0.381 nan 8.150 nan 0.000 0.545 224 L N 1.461 122.683 121.223 -0.002 0.000 1.965 224 L HA -0.230 4.109 4.340 -0.000 0.000 0.226 224 L C 1.592 178.458 176.870 -0.007 0.000 1.083 224 L CA 1.806 56.644 54.840 -0.005 0.000 0.790 224 L CB -0.291 41.766 42.059 -0.002 0.000 0.898 224 L HN 0.568 nan 8.230 nan 0.000 0.439 225 S N -0.346 115.350 115.700 -0.006 0.000 2.449 225 S HA 0.458 4.928 4.470 -0.000 0.000 0.237 225 S C 0.482 175.079 174.600 -0.005 0.000 1.214 225 S CA 0.196 58.392 58.200 -0.006 0.000 1.226 225 S CB 0.319 63.515 63.200 -0.006 0.000 0.904 225 S HN 0.709 nan 8.310 nan 0.000 0.490 226 G N 1.061 109.857 108.800 -0.006 0.000 2.562 226 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.250 226 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.250 226 G C -0.210 174.690 174.900 0.001 0.000 1.269 226 G CA -0.655 44.443 45.100 -0.004 0.000 0.919 226 G HN 1.235 nan 8.290 nan 0.000 0.574 227 V N -0.321 119.599 119.914 0.009 0.000 3.814 227 V HA -0.128 3.992 4.120 -0.000 0.000 0.480 227 V C -1.106 175.006 176.094 0.030 0.000 0.682 227 V CA 0.979 63.291 62.300 0.019 0.000 1.959 227 V CB -1.445 30.383 31.823 0.007 0.000 2.372 227 V HN 1.059 nan 8.190 nan 0.000 0.501 228 P HA 0.079 nan 4.420 nan 0.000 0.269 228 P C 0.277 177.667 177.300 0.149 0.000 1.217 228 P CA -0.149 63.007 63.100 0.094 0.000 0.783 228 P CB 0.305 32.111 31.700 0.176 0.000 0.898 229 H N 2.762 121.894 119.070 0.104 0.000 2.897 229 H HA 0.004 4.560 4.556 -0.000 0.000 0.347 229 H C -1.520 173.918 175.328 0.183 0.000 1.068 229 H CA -1.059 55.066 56.048 0.129 0.000 1.426 229 H CB 0.498 30.339 29.762 0.132 0.000 1.410 229 H HN 0.243 nan 8.280 nan 0.000 0.597 230 P HA -0.115 nan 4.420 nan 0.000 0.216 230 P C 1.351 178.831 177.300 0.301 0.000 1.150 230 P CA 1.587 64.776 63.100 0.149 0.000 0.837 230 P CB 0.245 31.953 31.700 0.013 0.000 0.786 231 T N -1.166 113.735 114.554 0.578 0.000 2.788 231 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 231 T C 1.414 176.335 174.700 0.368 0.000 1.044 231 T CA 1.015 63.349 62.100 0.392 0.000 1.139 231 T CB -0.883 68.150 68.868 0.274 0.000 0.867 231 T HN 0.063 nan 8.240 nan 0.000 0.454 232 F N 1.702 121.827 119.950 0.291 0.000 2.163 232 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 232 F C 2.191 178.009 175.800 0.030 0.000 1.094 232 F CA 0.594 58.721 58.000 0.211 0.000 1.290 232 F CB -0.565 38.570 39.000 0.225 0.000 1.017 232 F HN -0.109 nan 8.300 nan 0.000 0.483 233 V N 0.815 120.793 119.914 0.106 0.000 2.287 233 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 233 V C 2.267 178.279 176.094 -0.136 0.000 1.053 233 V CA 2.433 64.704 62.300 -0.049 0.000 1.027 233 V CB -0.802 31.061 31.823 0.067 0.000 0.646 233 V HN 0.364 nan 8.190 nan 0.000 0.447 234 E N 0.192 120.368 120.200 -0.040 0.000 2.077 234 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 234 E C 2.330 178.864 176.600 -0.110 0.000 0.989 234 E CA 1.327 57.704 56.400 -0.037 0.000 0.800 234 E CB -0.375 29.347 29.700 0.036 0.000 0.746 234 E HN 0.615 nan 8.360 nan 0.000 0.452 235 A N 1.173 123.882 122.820 -0.185 0.000 1.877 235 A HA -0.192 4.127 4.320 -0.000 0.000 0.216 235 A C 2.139 179.449 177.584 -0.457 0.000 1.186 235 A CA 1.333 53.193 52.037 -0.296 0.000 0.620 235 A CB -0.298 18.379 19.000 -0.538 0.000 0.822 235 A HN 0.120 nan 8.150 nan 0.000 0.443 236 M N -0.331 118.817 119.600 -0.754 0.000 2.229 236 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 236 M C 2.125 178.263 176.300 -0.269 0.000 1.063 236 M CA 1.792 56.644 55.300 -0.747 0.000 1.114 236 M CB -1.823 30.254 32.600 -0.872 0.000 1.387 236 M HN 0.445 nan 8.290 nan 0.000 0.420 237 T N 0.078 114.513 114.554 -0.199 0.000 2.777 237 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 237 T C 1.914 176.584 174.700 -0.051 0.000 1.040 237 T CA 1.346 63.392 62.100 -0.090 0.000 1.141 237 T CB -0.023 68.806 68.868 -0.066 0.000 0.868 237 T HN 0.368 nan 8.240 nan 0.000 0.444 238 K N 0.114 120.489 120.400 -0.043 0.000 2.057 238 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 238 K C 2.099 178.712 176.600 0.021 0.000 1.049 238 K CA 1.195 57.479 56.287 -0.005 0.000 0.931 238 K CB -0.306 32.203 32.500 0.016 0.000 0.714 238 K HN 0.326 nan 8.250 nan 0.000 0.440 239 F N 1.649 121.530 119.950 -0.115 0.000 2.075 239 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 239 F C 2.391 178.138 175.800 -0.089 0.000 1.113 239 F CA 2.255 60.209 58.000 -0.077 0.000 1.218 239 F CB -0.623 38.325 39.000 -0.086 0.000 0.984 239 F HN 0.143 nan 8.300 nan 0.000 0.472 240 S N -1.109 114.559 115.700 -0.053 0.000 2.383 240 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 240 S C 1.915 176.415 174.600 -0.166 0.000 1.026 240 S CA 1.589 59.698 58.200 -0.152 0.000 0.981 240 S CB -1.292 61.919 63.200 0.018 0.000 0.818 240 S HN 0.469 nan 8.310 nan 0.000 0.472 241 T N 2.586 117.076 114.554 -0.107 0.000 2.821 241 T HA 0.133 4.483 4.350 -0.000 0.000 0.267 241 T C 2.218 176.850 174.700 -0.114 0.000 1.046 241 T CA 1.272 63.321 62.100 -0.086 0.000 1.139 241 T CB -0.752 68.084 68.868 -0.053 0.000 0.871 241 T HN 0.624 nan 8.240 nan 0.000 0.454 242 A N 1.533 124.265 122.820 -0.147 0.000 1.877 242 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 242 A C 2.652 180.117 177.584 -0.198 0.000 1.186 242 A CA 1.831 53.778 52.037 -0.151 0.000 0.620 242 A CB -1.160 17.753 19.000 -0.144 0.000 0.822 242 A HN 0.496 nan 8.150 nan 0.000 0.443 243 A N -0.684 121.944 122.820 -0.319 0.000 1.858 243 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 243 A C 2.137 179.616 177.584 -0.174 0.000 1.190 243 A CA 1.842 53.697 52.037 -0.302 0.000 0.617 243 A CB -0.698 18.026 19.000 -0.461 0.000 0.827 243 A HN 0.632 nan 8.150 nan 0.000 0.443 244 Q N -0.681 119.030 119.800 -0.147 0.000 2.061 244 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 244 Q C 2.283 178.244 176.000 -0.065 0.000 0.984 244 Q CA 2.000 57.752 55.803 -0.084 0.000 0.846 244 Q CB -0.288 28.413 28.738 -0.062 0.000 0.902 244 Q HN 0.847 nan 8.270 nan 0.000 0.421 245 R N 0.236 120.694 120.500 -0.070 0.000 2.152 245 R HA -0.055 4.284 4.340 -0.000 0.000 0.232 245 R C 1.146 177.416 176.300 -0.050 0.000 1.117 245 R CA 1.531 57.600 56.100 -0.052 0.000 0.981 245 R CB -0.131 30.139 30.300 -0.050 0.000 0.870 245 R HN 0.160 nan 8.270 nan 0.000 0.451 246 N N 0.343 119.004 118.700 -0.066 0.000 2.280 246 N HA 0.057 4.797 4.740 -0.000 0.000 0.192 246 N C 0.211 175.690 175.510 -0.051 0.000 1.109 246 N CA 0.881 53.895 53.050 -0.060 0.000 0.855 246 N CB 1.165 39.607 38.487 -0.075 0.000 0.974 246 N HN 0.546 nan 8.380 nan 0.000 0.482 247 G N 0.966 109.738 108.800 -0.046 0.000 2.246 247 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.273 247 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.273 247 G C -0.270 174.614 174.900 -0.026 0.000 1.055 247 G CA 0.015 45.097 45.100 -0.029 0.000 0.851 247 G HN 0.152 nan 8.290 nan 0.000 0.500 248 V N 2.136 122.020 119.914 -0.050 0.000 2.370 248 V HA 0.536 4.656 4.120 -0.000 0.000 0.283 248 V C -1.231 174.846 176.094 -0.028 0.000 1.023 248 V CA -1.564 60.710 62.300 -0.043 0.000 0.857 248 V CB 1.918 33.684 31.823 -0.094 0.000 0.985 248 V HN 0.299 nan 8.190 nan 0.000 0.443 249 P HA 0.350 nan 4.420 nan 0.000 0.275 249 P C -0.609 176.755 177.300 0.106 0.000 1.228 249 P CA -0.192 62.944 63.100 0.060 0.000 0.786 249 P CB 1.368 33.120 31.700 0.088 0.000 0.927 250 I N 2.136 122.710 120.570 0.006 0.000 2.440 250 I HA 0.270 4.439 4.170 -0.000 0.000 0.294 250 I C 0.218 176.376 176.117 0.069 0.000 0.995 250 I CA -0.558 60.716 61.300 -0.044 0.000 1.306 250 I CB 0.345 38.073 38.000 -0.453 0.000 1.407 250 I HN 0.157 nan 8.210 nan 0.000 0.501 251 F N 3.122 123.010 119.950 -0.104 0.000 2.458 251 F HA 0.761 5.288 4.527 -0.000 0.000 0.336 251 F C 0.669 176.486 175.800 0.030 0.000 1.114 251 F CA -0.545 57.446 58.000 -0.015 0.000 0.987 251 F CB 1.831 40.831 39.000 -0.000 0.000 1.130 251 F HN 0.486 nan 8.300 nan 0.000 0.458 252 G N 0.542 109.520 108.800 0.297 0.000 2.554 252 G HA2 0.570 4.530 3.960 -0.000 0.000 0.306 252 G HA3 0.570 4.530 3.960 -0.000 0.000 0.306 252 G C -1.386 173.664 174.900 0.250 0.000 1.320 252 G CA -0.350 44.956 45.100 0.343 0.000 0.800 252 G HN 0.862 nan 8.290 nan 0.000 0.481 253 G N -1.467 107.480 108.800 0.245 0.000 2.498 253 G HA2 0.774 4.734 3.960 -0.000 0.000 0.312 253 G HA3 0.774 4.734 3.960 -0.000 0.000 0.312 253 G C -0.686 174.357 174.900 0.239 0.000 1.230 253 G CA 0.188 45.447 45.100 0.266 0.000 0.968 253 G HN 1.539 nan 8.290 nan 0.000 0.481 254 A N 1.172 124.160 122.820 0.279 0.000 2.285 254 A HA 0.546 4.866 4.320 -0.000 0.000 0.310 254 A C 1.196 178.943 177.584 0.271 0.000 1.266 254 A CA -0.629 51.509 52.037 0.168 0.000 0.832 254 A CB 0.529 19.570 19.000 0.069 0.000 1.163 254 A HN 0.639 nan 8.150 nan 0.000 0.499 255 L N 1.621 122.947 121.223 0.173 0.000 2.081 255 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 255 L C 1.245 178.211 176.870 0.160 0.000 1.080 255 L CA 1.708 56.636 54.840 0.146 0.000 0.754 255 L CB -0.432 41.669 42.059 0.071 0.000 0.893 255 L HN 0.810 nan 8.230 nan 0.000 0.433 256 S N -2.882 112.885 115.700 0.112 0.000 2.541 256 S HA 0.375 4.845 4.470 -0.000 0.000 0.280 256 S C 0.451 175.088 174.600 0.061 0.000 1.112 256 S CA -0.900 57.352 58.200 0.086 0.000 0.925 256 S CB 2.109 65.340 63.200 0.052 0.000 1.067 256 S HN -0.150 nan 8.310 nan 0.000 0.479 257 V N 1.378 121.322 119.914 0.049 0.000 2.568 257 V HA -0.174 3.946 4.120 -0.000 0.000 0.253 257 V C 2.070 178.167 176.094 0.006 0.000 1.072 257 V CA 2.262 64.574 62.300 0.020 0.000 1.084 257 V CB -1.306 30.523 31.823 0.009 0.000 0.676 257 V HN 1.023 nan 8.190 nan 0.000 0.469 258 D N -0.521 119.884 120.400 0.009 0.000 2.378 258 D HA -0.152 4.488 4.640 -0.000 0.000 0.227 258 D C 1.678 177.973 176.300 -0.009 0.000 1.012 258 D CA 0.766 54.766 54.000 0.000 0.000 0.905 258 D CB -0.451 40.352 40.800 0.004 0.000 0.895 258 D HN 0.422 nan 8.370 nan 0.000 0.532 259 M N -0.091 119.502 119.600 -0.013 0.000 2.541 259 M HA 0.020 4.500 4.480 -0.000 0.000 0.252 259 M C 1.728 177.989 176.300 -0.065 0.000 1.125 259 M CA 0.054 55.332 55.300 -0.036 0.000 1.091 259 M CB 0.363 32.941 32.600 -0.036 0.000 1.420 259 M HN -0.076 nan 8.290 nan 0.000 0.486 260 V N 1.433 121.318 119.914 -0.049 0.000 2.250 260 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 260 V C -0.523 175.539 176.094 -0.053 0.000 1.060 260 V CA 2.256 64.523 62.300 -0.055 0.000 1.030 260 V CB -1.847 29.957 31.823 -0.031 0.000 0.643 260 V HN 0.290 nan 8.190 nan 0.000 0.445 261 P HA -0.162 nan 4.420 nan 0.000 0.215 261 P C 2.148 179.429 177.300 -0.031 0.000 1.153 261 P CA 2.145 65.231 63.100 -0.024 0.000 0.853 261 P CB -0.124 31.567 31.700 -0.015 0.000 0.788 262 S N -1.244 114.428 115.700 -0.046 0.000 2.368 262 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 262 S C 1.804 176.351 174.600 -0.088 0.000 1.030 262 S CA 1.012 59.181 58.200 -0.051 0.000 0.999 262 S CB -1.037 62.132 63.200 -0.051 0.000 0.844 262 S HN -0.038 nan 8.310 nan 0.000 0.459 263 L N 0.772 121.886 121.223 -0.182 0.000 2.046 263 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 263 L C 2.361 179.183 176.870 -0.080 0.000 1.077 263 L CA 1.201 55.809 54.840 -0.386 0.000 0.747 263 L CB -0.530 41.145 42.059 -0.640 0.000 0.896 263 L HN 0.351 nan 8.230 nan 0.000 0.432 264 I N -0.212 120.348 120.570 -0.017 0.000 2.286 264 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 264 I C 2.371 178.528 176.117 0.067 0.000 1.115 264 I CA 1.306 62.640 61.300 0.056 0.000 1.392 264 I CB -0.261 37.756 38.000 0.028 0.000 1.065 264 I HN 0.293 nan 8.210 nan 0.000 0.418 265 E N 0.415 120.637 120.200 0.036 0.000 2.204 265 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 265 E C 1.936 178.574 176.600 0.064 0.000 0.990 265 E CA 0.860 57.283 56.400 0.038 0.000 0.821 265 E CB -0.079 29.631 29.700 0.018 0.000 0.750 265 E HN 0.589 nan 8.360 nan 0.000 0.477 266 Q N -0.799 119.063 119.800 0.103 0.000 2.451 266 Q HA 0.045 4.384 4.340 -0.000 0.000 0.206 266 Q C 0.959 177.085 176.000 0.210 0.000 0.947 266 Q CA 0.520 56.423 55.803 0.166 0.000 0.937 266 Q CB 0.791 29.671 28.738 0.237 0.000 1.025 266 Q HN 0.408 nan 8.270 nan 0.000 0.511 267 G N -0.297 108.623 108.800 0.200 0.000 2.184 267 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.206 267 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.206 267 G C -0.496 174.501 174.900 0.160 0.000 0.995 267 G CA -0.632 44.547 45.100 0.130 0.000 0.651 267 G HN 0.206 nan 8.290 nan 0.000 0.511 268 Y N 0.814 121.134 120.300 0.033 0.000 2.442 268 Y HA 0.581 5.131 4.550 -0.000 0.000 0.330 268 Y C 1.648 177.539 175.900 -0.014 0.000 1.129 268 Y CA -0.450 57.669 58.100 0.032 0.000 1.365 268 Y CB 0.799 39.285 38.460 0.043 0.000 1.233 268 Y HN 0.020 nan 8.280 nan 0.000 0.529 269 R N 1.672 122.199 120.500 0.046 0.000 2.531 269 R HA 0.476 4.816 4.340 -0.000 0.000 0.316 269 R C -0.661 175.541 176.300 -0.164 0.000 0.955 269 R CA -0.060 56.017 56.100 -0.039 0.000 1.120 269 R CB 0.723 30.992 30.300 -0.051 0.000 1.361 269 R HN 0.508 nan 8.270 nan 0.000 0.534 270 A N 1.400 124.067 122.820 -0.256 0.000 2.476 270 A HA 0.655 4.975 4.320 -0.000 0.000 0.280 270 A C -0.749 176.817 177.584 -0.029 0.000 1.081 270 A CA -0.521 51.308 52.037 -0.347 0.000 0.753 270 A CB 0.845 19.058 19.000 -1.312 0.000 1.248 270 A HN 0.104 nan 8.150 nan 0.000 0.424 271 I N 2.110 122.810 120.570 0.218 0.000 2.466 271 I HA 0.551 4.721 4.170 -0.000 0.000 0.289 271 I C 0.545 176.775 176.117 0.189 0.000 1.026 271 I CA -0.744 60.679 61.300 0.205 0.000 1.078 271 I CB 2.215 40.278 38.000 0.104 0.000 1.249 271 I HN 0.693 nan 8.210 nan 0.000 0.429 272 A N 5.625 128.524 122.820 0.131 0.000 2.310 272 A HA 0.429 4.749 4.320 -0.000 0.000 0.300 272 A C 0.849 178.244 177.584 -0.314 0.000 1.269 272 A CA -0.414 51.535 52.037 -0.147 0.000 0.909 272 A CB 0.363 19.234 19.000 -0.215 0.000 1.144 272 A HN 0.760 nan 8.150 nan 0.000 0.540 273 V N -0.512 119.187 119.914 -0.359 0.000 3.647 273 V HA 0.317 4.437 4.120 -0.000 0.000 0.279 273 V C 0.251 176.126 176.094 -0.364 0.000 1.314 273 V CA 0.497 62.637 62.300 -0.266 0.000 1.125 273 V CB -0.754 30.974 31.823 -0.158 0.000 0.907 273 V HN 0.745 nan 8.190 nan 0.000 0.434 274 Q N 0.110 119.478 119.800 -0.720 0.000 2.472 274 Q HA 0.657 4.997 4.340 -0.000 0.000 0.281 274 Q C -1.939 173.457 176.000 -1.006 0.000 0.997 274 Q CA -0.571 54.877 55.803 -0.590 0.000 0.828 274 Q CB 2.231 30.835 28.738 -0.222 0.000 1.443 274 Q HN 0.336 nan 8.270 nan 0.000 0.390 275 F N 1.771 121.751 119.950 0.049 0.000 2.518 275 F HA 0.289 4.816 4.527 -0.000 0.000 0.323 275 F C 1.054 176.909 175.800 0.092 0.000 1.129 275 F CA -0.955 57.069 58.000 0.040 0.000 0.920 275 F CB 1.449 40.419 39.000 -0.050 0.000 1.160 275 F HN 0.619 nan 8.300 nan 0.000 0.440 276 D N 1.181 121.711 120.400 0.216 0.000 2.104 276 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 276 D C 1.708 178.143 176.300 0.226 0.000 0.994 276 D CA 1.582 55.704 54.000 0.204 0.000 0.830 276 D CB -0.645 40.288 40.800 0.222 0.000 0.959 276 D HN 0.286 nan 8.370 nan 0.000 0.452 277 V N -0.341 119.710 119.914 0.228 0.000 2.244 277 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 277 V C 2.488 178.804 176.094 0.370 0.000 1.042 277 V CA 1.656 64.100 62.300 0.240 0.000 1.006 277 V CB -0.816 31.120 31.823 0.188 0.000 0.641 277 V HN 0.211 nan 8.190 nan 0.000 0.446 278 W N 0.896 122.280 121.300 0.140 0.000 2.388 278 W HA 0.057 4.717 4.660 -0.000 0.000 0.294 278 W C 2.551 179.140 176.519 0.116 0.000 1.212 278 W CA 0.985 58.386 57.345 0.094 0.000 1.271 278 W CB -1.580 27.906 29.460 0.044 0.000 1.126 278 W HN 0.327 nan 8.180 nan 0.000 0.535 279 G N 0.438 109.480 108.800 0.402 0.000 2.421 279 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 279 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 279 G C 1.509 176.524 174.900 0.191 0.000 1.171 279 G CA 1.141 46.405 45.100 0.273 0.000 0.775 279 G HN 0.199 nan 8.290 nan 0.000 0.543 280 L N 0.960 122.292 121.223 0.182 0.000 2.046 280 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 280 L C 2.902 179.851 176.870 0.132 0.000 1.077 280 L CA 2.474 57.397 54.840 0.139 0.000 0.747 280 L CB -0.833 41.306 42.059 0.132 0.000 0.896 280 L HN 0.238 nan 8.230 nan 0.000 0.432 281 S N -0.520 115.270 115.700 0.150 0.000 2.353 281 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 281 S C 2.186 176.848 174.600 0.103 0.000 1.035 281 S CA 1.669 59.938 58.200 0.114 0.000 1.025 281 S CB -0.232 63.028 63.200 0.101 0.000 0.902 281 S HN 0.559 nan 8.310 nan 0.000 0.440 282 R N 0.087 120.645 120.500 0.097 0.000 2.092 282 R HA -0.013 4.326 4.340 -0.000 0.000 0.231 282 R C 2.371 178.739 176.300 0.112 0.000 1.119 282 R CA 1.380 57.532 56.100 0.087 0.000 0.970 282 R CB -0.583 29.759 30.300 0.069 0.000 0.864 282 R HN 0.399 nan 8.270 nan 0.000 0.440 283 L N 0.672 121.958 121.223 0.106 0.000 2.017 283 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 283 L C 2.042 178.961 176.870 0.081 0.000 1.073 283 L CA 1.658 56.550 54.840 0.088 0.000 0.745 283 L CB -0.298 41.810 42.059 0.083 0.000 0.894 283 L HN -0.094 nan 8.230 nan 0.000 0.432 284 V N -0.799 119.169 119.914 0.091 0.000 2.307 284 V HA -0.302 3.817 4.120 -0.000 0.000 0.245 284 V C 2.520 178.663 176.094 0.082 0.000 1.045 284 V CA 1.973 64.319 62.300 0.077 0.000 1.024 284 V CB -0.939 30.930 31.823 0.077 0.000 0.651 284 V HN 0.678 nan 8.190 nan 0.000 0.449 285 H N 0.700 119.781 119.070 0.018 0.000 2.352 285 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 285 H C 2.204 177.536 175.328 0.006 0.000 1.097 285 H CA 1.952 58.004 56.048 0.007 0.000 1.311 285 H CB -0.501 29.258 29.762 -0.004 0.000 1.377 285 H HN 0.369 nan 8.280 nan 0.000 0.504 286 G N -1.133 107.723 108.800 0.093 0.000 2.408 286 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 286 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 286 G C 1.890 176.780 174.900 -0.017 0.000 1.150 286 G CA 0.809 45.929 45.100 0.033 0.000 0.776 286 G HN 0.438 nan 8.290 nan 0.000 0.542 287 S N 0.472 116.171 115.700 -0.002 0.000 2.368 287 S HA 0.007 4.476 4.470 -0.000 0.000 0.224 287 S C 2.303 176.883 174.600 -0.033 0.000 1.029 287 S CA 0.704 58.900 58.200 -0.006 0.000 0.988 287 S CB -0.220 62.986 63.200 0.010 0.000 0.838 287 S HN 0.307 nan 8.310 nan 0.000 0.462 288 L N 1.194 122.379 121.223 -0.064 0.000 2.017 288 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 288 L C 2.829 179.632 176.870 -0.111 0.000 1.073 288 L CA 1.274 56.062 54.840 -0.087 0.000 0.745 288 L CB -0.743 41.245 42.059 -0.120 0.000 0.894 288 L HN 0.320 nan 8.230 nan 0.000 0.432 289 A N -0.450 122.266 122.820 -0.173 0.000 1.883 289 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 289 A C 2.229 179.773 177.584 -0.065 0.000 1.186 289 A CA 1.735 53.686 52.037 -0.144 0.000 0.624 289 A CB -0.534 18.364 19.000 -0.169 0.000 0.822 289 A HN 0.480 nan 8.150 nan 0.000 0.444 290 Q N -0.748 119.025 119.800 -0.045 0.000 2.084 290 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 290 Q C 2.458 178.454 176.000 -0.006 0.000 0.978 290 Q CA 1.347 57.140 55.803 -0.017 0.000 0.844 290 Q CB -0.390 28.344 28.738 -0.006 0.000 0.898 290 Q HN 0.691 nan 8.270 nan 0.000 0.426 291 A N 1.371 124.185 122.820 -0.009 0.000 1.858 291 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 291 A C 2.019 179.612 177.584 0.015 0.000 1.190 291 A CA 1.387 53.427 52.037 0.006 0.000 0.617 291 A CB -0.438 18.561 19.000 -0.002 0.000 0.827 291 A HN 0.207 nan 8.150 nan 0.000 0.443 292 R N -0.592 119.906 120.500 -0.004 0.000 2.081 292 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 292 R C 2.482 178.791 176.300 0.015 0.000 1.131 292 R CA 1.198 57.300 56.100 0.004 0.000 0.960 292 R CB -0.514 29.776 30.300 -0.017 0.000 0.856 292 R HN 0.523 nan 8.270 nan 0.000 0.436 293 A N 1.241 124.062 122.820 0.002 0.000 1.902 293 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 293 A C 2.206 179.798 177.584 0.013 0.000 1.181 293 A CA 2.001 54.039 52.037 0.002 0.000 0.623 293 A CB -0.540 18.456 19.000 -0.008 0.000 0.818 293 A HN 0.454 nan 8.150 nan 0.000 0.443 294 S N -0.588 115.130 115.700 0.029 0.000 2.481 294 S HA 0.273 4.743 4.470 -0.000 0.000 0.231 294 S C 1.702 176.368 174.600 0.110 0.000 0.996 294 S CA 0.956 59.184 58.200 0.046 0.000 0.942 294 S CB -0.241 62.994 63.200 0.058 0.000 0.768 294 S HN 0.826 nan 8.310 nan 0.000 0.520 295 A N 1.510 124.413 122.820 0.139 0.000 2.132 295 A HA 0.264 4.584 4.320 -0.000 0.000 0.213 295 A C 2.056 179.772 177.584 0.221 0.000 1.154 295 A CA 0.122 52.329 52.037 0.283 0.000 0.753 295 A CB -0.228 18.878 19.000 0.178 0.000 0.826 295 A HN 0.284 nan 8.150 nan 0.000 0.469 296 K N 0.854 121.299 120.400 0.074 0.000 2.211 296 K HA -0.215 4.105 4.320 -0.000 0.000 0.204 296 K C 2.011 178.588 176.600 -0.038 0.000 1.047 296 K CA 1.696 57.998 56.287 0.025 0.000 0.935 296 K CB -0.381 32.117 32.500 -0.003 0.000 0.728 296 K HN 0.928 nan 8.250 nan 0.000 0.452 297 Q N -0.902 118.798 119.800 -0.166 0.000 2.437 297 Q HA -0.074 4.266 4.340 -0.000 0.000 0.210 297 Q C 0.918 176.657 176.000 -0.436 0.000 0.972 297 Q CA 1.064 56.660 55.803 -0.346 0.000 0.903 297 Q CB -0.209 28.218 28.738 -0.519 0.000 0.967 297 Q HN 0.183 nan 8.270 nan 0.000 0.486 298 F N 1.064 121.010 119.950 -0.005 0.000 2.727 298 F HA 0.408 4.935 4.527 -0.000 0.000 0.302 298 F C 1.107 176.904 175.800 -0.005 0.000 1.097 298 F CA -0.469 57.528 58.000 -0.005 0.000 1.330 298 F CB 0.030 39.027 39.000 -0.005 0.000 1.084 298 F HN 0.063 nan 8.300 nan 0.000 0.578 299 A N 0.623 123.508 122.820 0.108 0.000 2.507 299 A HA 0.483 4.803 4.320 -0.000 0.000 0.235 299 A C 1.049 178.664 177.584 0.051 0.000 1.070 299 A CA 0.771 52.849 52.037 0.069 0.000 0.768 299 A CB -0.716 18.304 19.000 0.033 0.000 1.011 299 A HN 0.763 nan 8.150 nan 0.000 0.502 300 G N 0.000 108.825 108.800 0.042 0.000 5.446 300 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 300 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 300 G CA 0.000 45.119 45.100 0.031 0.000 0.502 300 G HN 0.000 nan 8.290 nan 0.000 0.925