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 1xea_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLKIAXIGLG DIAQKAYLPV LAQWPDIELV LCTRNPKVLG TLATRYRVSA DATA SEQUENCE TCTDYRDVLQ YGVDAVXIHA ATDVHSTLAA FFLHLGIPTF VDKPLAASAQ DATA SEQUENCE ECENLYELAE KHHQPLYVGF NRRHIPLYNQ HLSELAQQEC GALRSLRWEK DATA SEQUENCE HRHALPGDIR TFVFDDFIHP LDSVNLSRQC NLDDLHLTYH XSEGLLARLD DATA SEQUENCE VQWQTGDTLL HASXNRQFGI TTEHVTASYD NVAYLFDSFT QGKXWRDNQE DATA SEQUENCE SRVALKDWTP XLASKGFDAX VQDWLQVAAA GKLPTHIIER NLASHQLAEA DATA SEQUENCE ICQQITQQVT K 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.581 174.600 -0.031 0.000 1.055 2 S CA 0.000 58.200 58.200 0.001 0.000 1.107 2 S CB 0.000 63.204 63.200 0.007 0.000 0.593 3 L N 3.228 124.423 121.223 -0.047 0.000 2.393 3 L HA 0.666 5.005 4.340 -0.000 0.000 0.260 3 L C -0.559 176.275 176.870 -0.060 0.000 1.002 3 L CA -0.920 53.871 54.840 -0.081 0.000 0.818 3 L CB 2.373 44.335 42.059 -0.163 0.000 1.369 3 L HN 0.613 nan 8.230 nan 0.000 0.412 4 K N 2.073 122.441 120.400 -0.053 0.000 2.464 4 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 4 K C -1.364 175.210 176.600 -0.044 0.000 1.000 4 K CA -0.481 55.788 56.287 -0.031 0.000 0.951 4 K CB 0.761 33.264 32.500 0.004 0.000 1.183 4 K HN 0.361 nan 8.250 nan 0.000 0.445 5 I N 3.065 123.600 120.570 -0.058 0.000 2.428 5 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 5 I C 0.280 176.361 176.117 -0.060 0.000 0.985 5 I CA -0.197 61.070 61.300 -0.055 0.000 1.260 5 I CB 1.811 39.779 38.000 -0.053 0.000 1.389 5 I HN 0.643 nan 8.210 nan 0.000 0.484 9 G N 5.766 114.588 108.800 0.036 0.000 2.884 9 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.261 9 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.261 9 G C -0.659 174.285 174.900 0.074 0.000 1.025 9 G CA -0.813 44.318 45.100 0.051 0.000 1.228 9 G HN 0.616 nan 8.290 nan 0.000 0.558 10 L N 2.230 123.478 121.223 0.042 0.000 2.375 10 L HA 0.537 4.877 4.340 -0.000 0.000 0.276 10 L C 1.381 178.262 176.870 0.017 0.000 1.162 10 L CA 0.135 54.985 54.840 0.017 0.000 0.991 10 L CB 0.089 42.143 42.059 -0.009 0.000 1.315 10 L HN 0.543 nan 8.230 nan 0.000 0.431 11 G N 0.089 108.906 108.800 0.027 0.000 2.828 11 G HA2 0.099 4.059 3.960 -0.000 0.000 0.244 11 G HA3 0.099 4.059 3.960 -0.000 0.000 0.244 11 G C 0.306 175.218 174.900 0.021 0.000 1.365 11 G CA -0.214 44.904 45.100 0.030 0.000 1.041 11 G HN 0.386 nan 8.290 nan 0.000 0.560 12 D N -0.492 119.927 120.400 0.032 0.000 2.182 12 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 12 D C 2.518 178.829 176.300 0.018 0.000 0.999 12 D CA 1.603 55.620 54.000 0.028 0.000 0.850 12 D CB -0.310 40.515 40.800 0.041 0.000 0.994 12 D HN 0.151 nan 8.370 nan 0.000 0.450 13 I N 1.123 121.723 120.570 0.051 0.000 2.248 13 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 13 I C 2.531 178.667 176.117 0.033 0.000 1.107 13 I CA 1.418 62.758 61.300 0.067 0.000 1.373 13 I CB -0.791 37.330 38.000 0.201 0.000 1.055 13 I HN 0.079 nan 8.210 nan 0.000 0.418 14 A N -0.181 122.622 122.820 -0.028 0.000 1.877 14 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 14 A C 2.325 179.829 177.584 -0.133 0.000 1.186 14 A CA 1.691 53.620 52.037 -0.181 0.000 0.620 14 A CB -0.613 18.282 19.000 -0.176 0.000 0.822 14 A HN 0.522 nan 8.150 nan 0.000 0.443 15 Q N -0.697 119.057 119.800 -0.077 0.000 2.049 15 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 15 Q C 2.166 178.139 176.000 -0.045 0.000 0.971 15 Q CA 1.347 57.121 55.803 -0.049 0.000 0.833 15 Q CB -0.143 28.599 28.738 0.006 0.000 0.896 15 Q HN 0.576 nan 8.270 nan 0.000 0.434 16 K N -0.227 120.131 120.400 -0.069 0.000 2.057 16 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 16 K C 1.688 178.152 176.600 -0.226 0.000 1.050 16 K CA 1.310 57.532 56.287 -0.108 0.000 0.935 16 K CB 0.074 32.514 32.500 -0.101 0.000 0.715 16 K HN 0.129 nan 8.250 nan 0.000 0.439 17 A N -0.506 122.098 122.820 -0.359 0.000 2.042 17 A HA 0.100 4.420 4.320 -0.000 0.000 0.204 17 A C 1.763 179.034 177.584 -0.521 0.000 1.712 17 A CA -0.129 51.501 52.037 -0.678 0.000 0.890 17 A CB -0.767 17.342 19.000 -1.485 0.000 1.176 17 A HN 0.112 nan 8.150 nan 0.000 0.573 18 Y N -0.052 120.018 120.300 -0.384 0.000 2.014 18 Y HA -0.250 4.300 4.550 -0.000 0.000 0.270 18 Y C 2.370 178.124 175.900 -0.242 0.000 1.145 18 Y CA 1.907 59.831 58.100 -0.293 0.000 1.106 18 Y CB -0.587 37.580 38.460 -0.488 0.000 0.968 18 Y HN 0.320 nan 8.280 nan 0.000 0.484 19 L N 1.119 122.269 121.223 -0.122 0.000 1.997 19 L HA -0.180 4.160 4.340 -0.000 0.000 0.216 19 L C -0.585 176.172 176.870 -0.187 0.000 1.074 19 L CA 2.187 56.873 54.840 -0.256 0.000 0.763 19 L CB -1.791 39.991 42.059 -0.462 0.000 0.890 19 L HN 0.090 nan 8.230 nan 0.000 0.434 20 P HA -0.121 nan 4.420 nan 0.000 0.222 20 P C 1.835 179.183 177.300 0.079 0.000 1.147 20 P CA 1.284 64.452 63.100 0.115 0.000 0.790 20 P CB 0.070 31.825 31.700 0.091 0.000 0.780 21 V N -0.667 119.266 119.914 0.031 0.000 2.446 21 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 21 V C 2.563 178.787 176.094 0.218 0.000 1.039 21 V CA 1.172 63.538 62.300 0.109 0.000 1.045 21 V CB -0.950 30.922 31.823 0.082 0.000 0.681 21 V HN -0.026 nan 8.190 nan 0.000 0.459 22 L N 0.576 121.877 121.223 0.130 0.000 2.156 22 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 22 L C 2.440 179.403 176.870 0.156 0.000 1.095 22 L CA 1.861 56.781 54.840 0.132 0.000 0.770 22 L CB -0.937 41.130 42.059 0.013 0.000 0.914 22 L HN 0.276 nan 8.230 nan 0.000 0.439 23 A N -1.308 121.581 122.820 0.114 0.000 2.248 23 A HA -0.180 4.140 4.320 -0.000 0.000 0.210 23 A C 2.202 179.883 177.584 0.162 0.000 1.174 23 A CA 1.286 53.415 52.037 0.153 0.000 0.750 23 A CB -0.419 18.749 19.000 0.280 0.000 0.780 23 A HN 0.555 nan 8.150 nan 0.000 0.478 24 Q N -2.063 117.837 119.800 0.167 0.000 2.423 24 Q HA 0.001 4.341 4.340 -0.000 0.000 0.231 24 Q C -0.195 175.867 176.000 0.102 0.000 0.894 24 Q CA -0.461 55.408 55.803 0.110 0.000 0.938 24 Q CB 0.100 28.886 28.738 0.080 0.000 1.079 24 Q HN 0.635 nan 8.270 nan 0.000 0.552 25 W N 4.179 125.484 121.300 0.008 0.000 2.295 25 W HA 0.099 4.759 4.660 -0.000 0.000 0.335 25 W C -1.867 174.648 176.519 -0.006 0.000 1.351 25 W CA -0.855 56.487 57.345 -0.004 0.000 1.273 25 W CB 0.467 29.919 29.460 -0.013 0.000 1.214 25 W HN 0.164 nan 8.180 nan 0.000 0.563 26 P HA 0.040 nan 4.420 nan 0.000 0.284 26 P C -0.581 176.822 177.300 0.172 0.000 1.253 26 P CA 0.137 63.289 63.100 0.087 0.000 0.800 26 P CB 1.347 33.027 31.700 -0.033 0.000 0.961 27 D N 0.239 120.704 120.400 0.109 0.000 2.947 27 D HA -0.098 4.542 4.640 -0.000 0.000 0.224 27 D C -0.311 176.043 176.300 0.089 0.000 1.132 27 D CA 0.826 54.880 54.000 0.090 0.000 0.801 27 D CB -0.782 40.072 40.800 0.090 0.000 1.097 27 D HN 0.319 nan 8.370 nan 0.000 0.431 28 I N 1.422 122.050 120.570 0.097 0.000 2.478 28 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 28 I C 0.419 176.558 176.117 0.036 0.000 1.042 28 I CA -0.371 60.961 61.300 0.054 0.000 1.067 28 I CB 1.784 39.827 38.000 0.072 0.000 1.233 28 I HN -0.140 nan 8.210 nan 0.000 0.431 29 E N 6.593 126.798 120.200 0.009 0.000 2.197 29 E HA 0.559 4.909 4.350 -0.000 0.000 0.281 29 E C -0.826 175.763 176.600 -0.018 0.000 0.995 29 E CA -0.653 55.750 56.400 0.006 0.000 0.808 29 E CB 2.281 31.987 29.700 0.009 0.000 1.093 29 E HN 0.404 nan 8.360 nan 0.000 0.394 30 L N 2.422 123.632 121.223 -0.022 0.000 2.334 30 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 30 L C -0.476 176.338 176.870 -0.093 0.000 1.036 30 L CA -1.065 53.745 54.840 -0.052 0.000 0.807 30 L CB 1.542 43.574 42.059 -0.045 0.000 1.231 30 L HN 0.334 nan 8.230 nan 0.000 0.438 31 V N 4.255 124.092 119.914 -0.128 0.000 2.380 31 V HA 0.266 4.386 4.120 -0.000 0.000 0.268 31 V C 0.176 176.168 176.094 -0.170 0.000 1.008 31 V CA -0.460 61.705 62.300 -0.226 0.000 0.823 31 V CB 1.204 32.852 31.823 -0.291 0.000 1.053 31 V HN 0.525 nan 8.190 nan 0.000 0.446 32 L N 3.207 124.348 121.223 -0.137 0.000 2.456 32 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 32 L C 0.162 176.993 176.870 -0.064 0.000 1.189 32 L CA 0.336 55.124 54.840 -0.086 0.000 0.846 32 L CB 0.783 42.805 42.059 -0.061 0.000 1.111 32 L HN 0.722 nan 8.230 nan 0.000 0.475 33 C N 2.972 122.259 119.300 -0.022 0.000 2.752 33 C HA 0.716 5.176 4.460 -0.000 0.000 0.360 33 C C -0.334 174.679 174.990 0.038 0.000 1.081 33 C CA -0.133 58.898 59.018 0.021 0.000 1.272 33 C CB 1.295 29.069 27.740 0.057 0.000 1.754 33 C HN 0.937 nan 8.230 nan 0.000 0.483 34 T N 4.445 119.025 114.554 0.044 0.000 2.886 34 T HA 0.367 4.717 4.350 -0.000 0.000 0.330 34 T C 0.760 175.487 174.700 0.045 0.000 1.488 34 T CA -0.503 61.624 62.100 0.045 0.000 1.054 34 T CB 1.260 70.146 68.868 0.031 0.000 1.348 34 T HN 0.742 nan 8.240 nan 0.000 0.489 35 R N 1.757 122.284 120.500 0.045 0.000 2.103 35 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 35 R C 1.000 177.316 176.300 0.027 0.000 1.132 35 R CA 1.123 57.245 56.100 0.036 0.000 0.925 35 R CB -1.003 29.316 30.300 0.031 0.000 0.842 35 R HN 0.672 nan 8.270 nan 0.000 0.430 36 N N 2.057 120.772 118.700 0.024 0.000 2.429 36 N HA -0.046 4.694 4.740 -0.000 0.000 0.271 36 N C -1.634 173.890 175.510 0.023 0.000 1.272 36 N CA -0.759 52.304 53.050 0.021 0.000 0.921 36 N CB 1.105 39.604 38.487 0.020 0.000 1.128 36 N HN 0.073 nan 8.380 nan 0.000 0.481 37 P HA -0.131 nan 4.420 nan 0.000 0.219 37 P C 0.698 178.012 177.300 0.023 0.000 1.150 37 P CA 1.277 64.391 63.100 0.023 0.000 0.814 37 P CB 0.525 32.237 31.700 0.020 0.000 0.787 38 K N -0.029 120.384 120.400 0.022 0.000 1.985 38 K HA -0.061 4.259 4.320 -0.000 0.000 0.210 38 K C 2.237 178.853 176.600 0.027 0.000 1.047 38 K CA 1.378 57.678 56.287 0.022 0.000 0.932 38 K CB -0.999 31.512 32.500 0.019 0.000 0.716 38 K HN -0.038 nan 8.250 nan 0.000 0.439 39 V N 2.021 121.951 119.914 0.027 0.000 2.392 39 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 39 V C 2.270 178.386 176.094 0.037 0.000 1.059 39 V CA 1.453 63.772 62.300 0.032 0.000 1.051 39 V CB -0.485 31.355 31.823 0.029 0.000 0.658 39 V HN 0.260 nan 8.190 nan 0.000 0.455 40 L N 1.425 122.667 121.223 0.031 0.000 1.989 40 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 40 L C 2.366 179.258 176.870 0.038 0.000 1.071 40 L CA 2.633 57.490 54.840 0.030 0.000 0.749 40 L CB -1.278 40.796 42.059 0.026 0.000 0.890 40 L HN 0.268 nan 8.230 nan 0.000 0.431 41 G N -2.272 106.549 108.800 0.036 0.000 2.408 41 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 41 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 41 G C 1.414 176.341 174.900 0.046 0.000 1.150 41 G CA 1.060 46.183 45.100 0.038 0.000 0.776 41 G HN 0.446 nan 8.290 nan 0.000 0.542 42 T N 1.546 116.128 114.554 0.047 0.000 2.595 42 T HA -0.096 4.254 4.350 -0.000 0.000 0.264 42 T C 2.440 177.190 174.700 0.083 0.000 1.058 42 T CA 1.243 63.374 62.100 0.051 0.000 1.166 42 T CB -0.324 68.572 68.868 0.047 0.000 0.863 42 T HN 0.164 nan 8.240 nan 0.000 0.415 43 L N 0.913 122.208 121.223 0.120 0.000 2.012 43 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 43 L C 3.096 180.123 176.870 0.262 0.000 1.073 43 L CA 1.321 56.306 54.840 0.242 0.000 0.748 43 L CB -0.848 41.310 42.059 0.164 0.000 0.891 43 L HN 0.246 nan 8.230 nan 0.000 0.431 44 A N -0.385 122.516 122.820 0.134 0.000 1.958 44 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 44 A C 2.377 180.022 177.584 0.102 0.000 1.178 44 A CA 2.635 54.735 52.037 0.104 0.000 0.642 44 A CB -0.968 18.064 19.000 0.054 0.000 0.816 44 A HN 0.440 nan 8.150 nan 0.000 0.453 45 T N -1.293 113.306 114.554 0.076 0.000 2.770 45 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 45 T C 2.053 176.760 174.700 0.012 0.000 1.039 45 T CA 1.297 63.421 62.100 0.039 0.000 1.142 45 T CB -0.188 68.693 68.868 0.022 0.000 0.868 45 T HN 0.599 nan 8.240 nan 0.000 0.435 46 R N -0.011 120.486 120.500 -0.005 0.000 2.127 46 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 46 R C 0.810 176.903 176.300 -0.344 0.000 1.134 46 R CA 1.487 57.472 56.100 -0.192 0.000 0.975 46 R CB -0.136 30.000 30.300 -0.274 0.000 0.865 46 R HN 0.443 nan 8.270 nan 0.000 0.447 47 Y N -0.161 120.140 120.300 0.001 0.000 2.636 47 Y HA 0.364 4.914 4.550 -0.000 0.000 0.260 47 Y C -0.257 175.645 175.900 0.003 0.000 1.177 47 Y CA -0.584 57.517 58.100 0.002 0.000 1.209 47 Y CB 0.350 38.811 38.460 0.002 0.000 1.166 47 Y HN -0.090 nan 8.280 nan 0.000 0.531 48 R N 0.682 121.238 120.500 0.093 0.000 3.038 48 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 48 R C -0.703 175.639 176.300 0.071 0.000 0.866 48 R CA 0.429 56.566 56.100 0.062 0.000 0.601 48 R CB -1.325 28.997 30.300 0.036 0.000 1.107 48 R HN 0.174 nan 8.270 nan 0.000 0.492 49 V N 0.045 120.003 119.914 0.073 0.000 2.513 49 V HA 0.332 4.452 4.120 -0.000 0.000 0.299 49 V C 0.974 177.083 176.094 0.025 0.000 1.035 49 V CA 0.422 62.748 62.300 0.043 0.000 0.889 49 V CB 2.048 33.888 31.823 0.029 0.000 0.988 49 V HN 0.459 nan 8.190 nan 0.000 0.440 50 S N 5.205 120.914 115.700 0.016 0.000 2.355 50 S HA 0.182 4.652 4.470 -0.000 0.000 0.216 50 S C 1.237 175.839 174.600 0.004 0.000 1.037 50 S CA 0.741 58.956 58.200 0.025 0.000 0.955 50 S CB -0.313 62.914 63.200 0.045 0.000 0.877 50 S HN 1.430 nan 8.310 nan 0.000 0.488 51 A N 3.087 125.868 122.820 -0.065 0.000 2.594 51 A HA 0.391 4.711 4.320 -0.000 0.000 0.291 51 A C 0.453 177.859 177.584 -0.296 0.000 1.374 51 A CA 0.341 52.206 52.037 -0.287 0.000 1.025 51 A CB -1.123 17.541 19.000 -0.559 0.000 1.072 51 A HN 0.605 nan 8.150 nan 0.000 0.555 52 T N -0.685 113.797 114.554 -0.121 0.000 2.855 52 T HA 0.626 4.976 4.350 -0.000 0.000 0.281 52 T C -0.437 174.273 174.700 0.017 0.000 1.007 52 T CA -0.852 61.218 62.100 -0.051 0.000 1.009 52 T CB 1.500 70.375 68.868 0.012 0.000 0.983 52 T HN 0.956 nan 8.240 nan 0.000 0.455 53 C N 1.196 120.507 119.300 0.019 0.000 3.239 53 C HA 0.729 5.189 4.460 -0.000 0.000 0.317 53 C C 1.011 176.036 174.990 0.058 0.000 1.310 53 C CA -0.243 58.822 59.018 0.078 0.000 1.371 53 C CB 1.234 29.042 27.740 0.114 0.000 1.714 53 C HN 1.086 nan 8.230 nan 0.000 0.473 54 T N 0.262 114.851 114.554 0.059 0.000 2.954 54 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 54 T C -0.394 174.329 174.700 0.039 0.000 0.983 54 T CA 0.335 62.461 62.100 0.043 0.000 0.941 54 T CB -0.040 68.846 68.868 0.029 0.000 1.141 54 T HN 0.760 nan 8.240 nan 0.000 0.500 55 D N 1.052 121.463 120.400 0.019 0.000 2.381 55 D HA 0.161 4.801 4.640 -0.000 0.000 0.235 55 D C 0.783 177.054 176.300 -0.048 0.000 1.068 55 D CA -0.703 53.261 54.000 -0.060 0.000 0.832 55 D CB 1.289 42.009 40.800 -0.133 0.000 1.101 55 D HN 0.320 nan 8.370 nan 0.000 0.515 56 Y N 3.735 124.032 120.300 -0.004 0.000 2.446 56 Y HA -0.150 4.400 4.550 -0.000 0.000 0.287 56 Y C 1.597 177.520 175.900 0.038 0.000 1.159 56 Y CA 1.008 59.147 58.100 0.065 0.000 1.297 56 Y CB -0.390 38.102 38.460 0.052 0.000 0.974 56 Y HN 0.265 nan 8.280 nan 0.000 0.557 57 R N 0.614 120.803 120.500 -0.518 0.000 2.153 57 R HA -0.067 4.273 4.340 -0.000 0.000 0.218 57 R C 1.285 177.608 176.300 0.039 0.000 1.072 57 R CA 1.194 57.102 56.100 -0.321 0.000 0.990 57 R CB -0.192 29.824 30.300 -0.472 0.000 0.889 57 R HN 0.481 nan 8.270 nan 0.000 0.452 58 D N 0.358 120.788 120.400 0.050 0.000 2.347 58 D HA -0.053 4.587 4.640 -0.000 0.000 0.215 58 D C 1.703 178.168 176.300 0.274 0.000 0.976 58 D CA 0.613 54.689 54.000 0.126 0.000 0.884 58 D CB 0.238 41.104 40.800 0.109 0.000 0.915 58 D HN 0.017 nan 8.370 nan 0.000 0.526 59 V N 1.666 121.788 119.914 0.345 0.000 2.380 59 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 59 V C 2.584 178.935 176.094 0.428 0.000 1.063 59 V CA 1.219 63.775 62.300 0.427 0.000 1.055 59 V CB -0.525 31.578 31.823 0.467 0.000 0.657 59 V HN 0.257 nan 8.190 nan 0.000 0.455 60 L N -0.596 120.846 121.223 0.365 0.000 2.187 60 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 60 L C 2.608 179.571 176.870 0.154 0.000 1.100 60 L CA 1.465 56.459 54.840 0.258 0.000 0.765 60 L CB -0.817 41.362 42.059 0.200 0.000 0.904 60 L HN 0.395 nan 8.230 nan 0.000 0.437 61 Q N -0.364 119.486 119.800 0.083 0.000 2.112 61 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 61 Q C 1.774 177.670 176.000 -0.174 0.000 0.987 61 Q CA 1.914 57.640 55.803 -0.128 0.000 0.858 61 Q CB -0.308 28.215 28.738 -0.358 0.000 0.905 61 Q HN 0.550 nan 8.270 nan 0.000 0.420 62 Y N -0.262 120.072 120.300 0.057 0.000 2.578 62 Y HA 0.164 4.714 4.550 -0.000 0.000 0.297 62 Y C 1.325 177.249 175.900 0.039 0.000 1.176 62 Y CA 0.408 58.535 58.100 0.044 0.000 1.315 62 Y CB -0.268 38.218 38.460 0.043 0.000 1.031 62 Y HN 0.169 nan 8.280 nan 0.000 0.524 63 G N 0.909 109.803 108.800 0.158 0.000 2.350 63 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.298 63 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.298 63 G C -0.097 174.866 174.900 0.105 0.000 1.037 63 G CA 0.089 45.254 45.100 0.108 0.000 1.074 63 G HN 0.174 nan 8.290 nan 0.000 0.511 64 V N 0.339 120.328 119.914 0.126 0.000 2.740 64 V HA 0.099 4.219 4.120 -0.000 0.000 0.303 64 V C 1.364 177.484 176.094 0.043 0.000 1.054 64 V CA 0.550 62.897 62.300 0.078 0.000 1.106 64 V CB 1.173 33.042 31.823 0.076 0.000 0.957 64 V HN 0.455 nan 8.190 nan 0.000 0.486 65 D N 2.272 122.673 120.400 0.002 0.000 2.348 65 D HA 0.366 5.006 4.640 -0.000 0.000 0.211 65 D C 0.443 176.718 176.300 -0.041 0.000 0.998 65 D CA 1.104 55.088 54.000 -0.027 0.000 0.873 65 D CB 0.955 41.717 40.800 -0.064 0.000 0.925 65 D HN 0.700 nan 8.370 nan 0.000 0.524 66 A N -0.063 122.742 122.820 -0.026 0.000 2.569 66 A HA 0.461 4.781 4.320 -0.000 0.000 0.292 66 A C -0.805 176.783 177.584 0.005 0.000 1.032 66 A CA -0.681 51.367 52.037 0.019 0.000 0.669 66 A CB 0.663 19.657 19.000 -0.010 0.000 1.290 66 A HN -0.041 nan 8.150 nan 0.000 0.422 70 H N 3.760 122.769 119.070 -0.103 0.000 2.581 70 H HA 0.492 5.048 4.556 -0.000 0.000 0.275 70 H C 0.681 176.017 175.328 0.014 0.000 1.126 70 H CA -0.055 55.943 56.048 -0.084 0.000 1.097 70 H CB 0.835 30.512 29.762 -0.142 0.000 1.626 70 H HN 0.672 nan 8.280 nan 0.000 0.565 71 A N 1.122 124.007 122.820 0.108 0.000 2.251 71 A HA 0.626 4.946 4.320 -0.000 0.000 0.278 71 A C 0.785 178.383 177.584 0.023 0.000 1.206 71 A CA 0.116 52.189 52.037 0.061 0.000 0.822 71 A CB 0.064 19.069 19.000 0.007 0.000 1.187 71 A HN 0.359 nan 8.150 nan 0.000 0.504 72 A N -1.127 121.641 122.820 -0.087 0.000 2.429 72 A HA 0.388 4.708 4.320 -0.000 0.000 0.242 72 A C 1.317 178.575 177.584 -0.543 0.000 1.088 72 A CA 0.638 52.566 52.037 -0.182 0.000 0.784 72 A CB -0.566 18.358 19.000 -0.127 0.000 1.038 72 A HN 0.867 nan 8.150 nan 0.000 0.501 73 T N 0.436 114.685 114.554 -0.508 0.000 2.915 73 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 73 T C 1.116 175.512 174.700 -0.507 0.000 1.071 73 T CA 1.894 63.557 62.100 -0.729 0.000 1.132 73 T CB -0.539 68.201 68.868 -0.213 0.000 0.878 73 T HN 0.931 nan 8.240 nan 0.000 0.479 74 D N 1.594 121.810 120.400 -0.306 0.000 2.392 74 D HA -0.037 4.603 4.640 -0.000 0.000 0.228 74 D C 1.374 177.564 176.300 -0.184 0.000 1.003 74 D CA 0.414 54.296 54.000 -0.197 0.000 0.917 74 D CB -0.304 40.416 40.800 -0.133 0.000 0.890 74 D HN 0.475 nan 8.370 nan 0.000 0.532 75 V N -4.428 115.336 119.914 -0.250 0.000 3.337 75 V HA 0.272 4.392 4.120 -0.000 0.000 0.307 75 V C 1.295 177.326 176.094 -0.105 0.000 1.505 75 V CA -0.439 61.762 62.300 -0.164 0.000 1.072 75 V CB -0.268 31.471 31.823 -0.141 0.000 0.929 75 V HN 0.003 nan 8.190 nan 0.000 0.455 76 H N 1.476 120.476 119.070 -0.116 0.000 2.256 76 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 76 H C 2.570 177.823 175.328 -0.125 0.000 1.071 76 H CA 2.117 58.085 56.048 -0.134 0.000 1.280 76 H CB -0.667 29.011 29.762 -0.140 0.000 1.370 76 H HN 0.484 nan 8.280 nan 0.000 0.490 77 S N 0.011 115.730 115.700 0.032 0.000 2.372 77 S HA -0.201 4.269 4.470 -0.000 0.000 0.227 77 S C 2.286 176.870 174.600 -0.026 0.000 1.044 77 S CA 2.105 60.293 58.200 -0.019 0.000 1.050 77 S CB -0.431 62.753 63.200 -0.028 0.000 0.901 77 S HN 0.546 nan 8.310 nan 0.000 0.447 78 T N 2.548 117.073 114.554 -0.048 0.000 2.684 78 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 78 T C 1.780 176.409 174.700 -0.120 0.000 1.036 78 T CA 1.240 63.297 62.100 -0.072 0.000 1.148 78 T CB -0.433 68.372 68.868 -0.105 0.000 0.863 78 T HN 0.259 nan 8.240 nan 0.000 0.436 79 L N 0.515 121.634 121.223 -0.173 0.000 2.072 79 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 79 L C 3.073 180.023 176.870 0.133 0.000 1.079 79 L CA 1.081 55.817 54.840 -0.172 0.000 0.752 79 L CB -0.708 41.260 42.059 -0.152 0.000 0.906 79 L HN 0.240 nan 8.230 nan 0.000 0.436 80 A N 0.295 123.153 122.820 0.062 0.000 1.845 80 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 80 A C 2.567 180.192 177.584 0.068 0.000 1.195 80 A CA 1.868 53.939 52.037 0.057 0.000 0.616 80 A CB -0.938 18.014 19.000 -0.081 0.000 0.832 80 A HN 0.378 nan 8.150 nan 0.000 0.443 81 A N -0.945 121.889 122.820 0.024 0.000 1.903 81 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 81 A C 2.040 179.668 177.584 0.074 0.000 1.191 81 A CA 2.012 54.062 52.037 0.023 0.000 0.638 81 A CB -0.949 18.093 19.000 0.071 0.000 0.823 81 A HN 0.753 nan 8.150 nan 0.000 0.451 82 F N -0.091 119.814 119.950 -0.074 0.000 2.015 82 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 82 F C 1.975 177.635 175.800 -0.234 0.000 1.141 82 F CA 2.335 60.217 58.000 -0.197 0.000 1.192 82 F CB -0.799 37.956 39.000 -0.407 0.000 0.957 82 F HN 0.228 nan 8.300 nan 0.000 0.491 83 F N -0.088 119.862 119.950 -0.001 0.000 2.365 83 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 83 F C 2.195 177.898 175.800 -0.162 0.000 1.090 83 F CA 0.632 58.559 58.000 -0.122 0.000 1.408 83 F CB -0.733 38.293 39.000 0.044 0.000 1.060 83 F HN 0.019 nan 8.300 nan 0.000 0.534 84 L N -0.981 120.222 121.223 -0.033 0.000 2.056 84 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 84 L C 2.659 179.250 176.870 -0.465 0.000 1.078 84 L CA 1.115 55.843 54.840 -0.187 0.000 0.749 84 L CB -0.744 41.176 42.059 -0.231 0.000 0.901 84 L HN 0.204 nan 8.230 nan 0.000 0.433 85 H N 0.210 118.956 119.070 -0.541 0.000 2.353 85 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 85 H C 2.120 177.189 175.328 -0.432 0.000 1.090 85 H CA 1.385 56.977 56.048 -0.761 0.000 1.327 85 H CB -0.015 29.488 29.762 -0.431 0.000 1.383 85 H HN 0.292 nan 8.280 nan 0.000 0.508 86 L N 0.080 121.158 121.223 -0.242 0.000 2.650 86 L HA 0.067 4.406 4.340 -0.000 0.000 0.235 86 L C 0.967 177.808 176.870 -0.049 0.000 1.149 86 L CA 0.348 55.086 54.840 -0.171 0.000 0.887 86 L CB -0.200 41.675 42.059 -0.306 0.000 1.021 86 L HN 0.272 nan 8.230 nan 0.000 0.441 87 G N 1.755 110.527 108.800 -0.045 0.000 2.367 87 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.295 87 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.295 87 G C -0.278 174.655 174.900 0.054 0.000 1.019 87 G CA -0.025 45.096 45.100 0.037 0.000 1.224 87 G HN 0.349 nan 8.290 nan 0.000 0.510 88 I N 0.788 121.400 120.570 0.070 0.000 2.478 88 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 88 I C -2.342 173.841 176.117 0.110 0.000 1.042 88 I CA -2.592 58.767 61.300 0.098 0.000 1.067 88 I CB 2.721 40.815 38.000 0.156 0.000 1.233 88 I HN -0.094 nan 8.210 nan 0.000 0.431 89 P HA -0.020 nan 4.420 nan 0.000 0.256 89 P C -0.737 176.755 177.300 0.320 0.000 1.173 89 P CA 0.593 63.806 63.100 0.189 0.000 0.768 89 P CB 0.232 31.983 31.700 0.086 0.000 0.758 90 T N 4.576 119.282 114.554 0.253 0.000 2.824 90 T HA 0.509 4.859 4.350 -0.000 0.000 0.280 90 T C -0.684 173.976 174.700 -0.067 0.000 0.995 90 T CA -0.224 61.936 62.100 0.100 0.000 1.009 90 T CB 0.475 69.338 68.868 -0.008 0.000 0.955 90 T HN 0.126 nan 8.240 nan 0.000 0.452 91 F N 3.407 123.028 119.950 -0.548 0.000 2.495 91 F HA 0.715 5.242 4.527 -0.000 0.000 0.327 91 F C -1.231 174.172 175.800 -0.662 0.000 1.103 91 F CA -0.726 56.710 58.000 -0.940 0.000 0.949 91 F CB 1.149 39.062 39.000 -1.812 0.000 1.142 91 F HN 0.297 nan 8.300 nan 0.000 0.457 92 V N 4.559 123.719 119.914 -1.256 0.000 2.686 92 V HA 0.200 4.320 4.120 -0.000 0.000 0.306 92 V C -1.081 174.314 176.094 -1.164 0.000 1.065 92 V CA -0.933 60.756 62.300 -1.018 0.000 0.894 92 V CB 1.781 33.128 31.823 -0.792 0.000 1.004 92 V HN 0.752 nan 8.190 nan 0.000 0.424 93 D N 3.551 123.470 120.400 -0.803 0.000 2.390 93 D HA 0.318 4.958 4.640 -0.000 0.000 0.249 93 D C 0.361 176.419 176.300 -0.405 0.000 1.144 93 D CA -0.302 53.434 54.000 -0.441 0.000 0.880 93 D CB 0.886 41.674 40.800 -0.020 0.000 1.182 93 D HN 0.643 nan 8.370 nan 0.000 0.451 94 K N 4.249 124.386 120.400 -0.438 0.000 2.561 94 K HA 0.135 4.455 4.320 -0.000 0.000 0.280 94 K C -2.425 174.111 176.600 -0.106 0.000 0.975 94 K CA -0.725 55.311 56.287 -0.418 0.000 1.024 94 K CB -0.066 31.950 32.500 -0.805 0.000 0.883 94 K HN 0.185 nan 8.250 nan 0.000 0.496 95 P HA 0.007 nan 4.420 nan 0.000 0.281 95 P C 0.266 177.621 177.300 0.092 0.000 1.249 95 P CA -0.715 62.484 63.100 0.165 0.000 0.810 95 P CB 1.055 32.977 31.700 0.371 0.000 1.008 96 L N 1.711 122.940 121.223 0.009 0.000 2.012 96 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 96 L C 0.748 177.598 176.870 -0.034 0.000 1.073 96 L CA 2.336 57.030 54.840 -0.242 0.000 0.748 96 L CB -1.028 40.753 42.059 -0.462 0.000 0.891 96 L HN 0.647 nan 8.230 nan 0.000 0.431 97 A N -3.136 119.712 122.820 0.048 0.000 2.602 97 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 97 A C 0.472 178.083 177.584 0.044 0.000 1.114 97 A CA -0.129 51.947 52.037 0.066 0.000 0.683 97 A CB 0.233 19.222 19.000 -0.019 0.000 1.281 97 A HN 0.226 nan 8.150 nan 0.000 0.416 98 A N -0.090 122.650 122.820 -0.133 0.000 2.209 98 A HA 0.464 4.784 4.320 -0.000 0.000 0.212 98 A C 0.934 178.070 177.584 -0.748 0.000 1.158 98 A CA 1.581 53.368 52.037 -0.417 0.000 0.742 98 A CB -0.743 18.081 19.000 -0.292 0.000 0.790 98 A HN 2.127 nan 8.150 nan 0.000 0.472 99 S N -3.884 111.610 115.700 -0.343 0.000 2.570 99 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 99 S C 0.565 175.215 174.600 0.084 0.000 1.149 99 S CA -0.102 57.986 58.200 -0.187 0.000 0.837 99 S CB 1.308 64.423 63.200 -0.142 0.000 1.124 99 S HN 0.855 nan 8.310 nan 0.000 0.465 100 A N 0.692 123.626 122.820 0.190 0.000 2.015 100 A HA -0.061 4.258 4.320 -0.000 0.000 0.219 100 A C 2.087 179.721 177.584 0.083 0.000 1.163 100 A CA 2.053 54.195 52.037 0.176 0.000 0.646 100 A CB -1.009 18.093 19.000 0.170 0.000 0.806 100 A HN 0.852 nan 8.150 nan 0.000 0.448 101 Q N 0.564 120.393 119.800 0.047 0.000 2.030 101 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 101 Q C 1.824 177.834 176.000 0.016 0.000 0.986 101 Q CA 2.471 58.288 55.803 0.024 0.000 0.843 101 Q CB -0.417 28.325 28.738 0.005 0.000 0.904 101 Q HN 0.761 nan 8.270 nan 0.000 0.420 102 E N -0.826 119.373 120.200 -0.001 0.000 2.077 102 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 102 E C 2.304 178.898 176.600 -0.010 0.000 0.989 102 E CA 1.212 57.603 56.400 -0.014 0.000 0.800 102 E CB -0.343 29.337 29.700 -0.033 0.000 0.746 102 E HN 0.405 nan 8.360 nan 0.000 0.452 103 C N 1.329 120.627 119.300 -0.004 0.000 2.393 103 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 103 C C 2.536 177.579 174.990 0.089 0.000 1.215 103 C CA 0.977 59.993 59.018 -0.003 0.000 1.743 103 C CB -0.861 26.854 27.740 -0.041 0.000 2.044 103 C HN 0.469 nan 8.230 nan 0.000 0.464 104 E N 0.663 120.911 120.200 0.079 0.000 2.085 104 E HA -0.183 4.166 4.350 -0.000 0.000 0.194 104 E C 1.889 178.537 176.600 0.080 0.000 0.994 104 E CA 1.154 57.608 56.400 0.091 0.000 0.801 104 E CB -0.207 29.527 29.700 0.057 0.000 0.743 104 E HN 0.598 nan 8.360 nan 0.000 0.453 105 N N 0.936 119.661 118.700 0.041 0.000 2.013 105 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 105 N C 2.017 177.529 175.510 0.003 0.000 1.051 105 N CA 0.981 54.043 53.050 0.021 0.000 0.851 105 N CB -0.596 37.895 38.487 0.007 0.000 1.044 105 N HN 0.110 nan 8.380 nan 0.000 0.422 106 L N -0.262 120.942 121.223 -0.031 0.000 2.034 106 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 106 L C 2.275 179.048 176.870 -0.162 0.000 1.077 106 L CA 1.589 56.359 54.840 -0.118 0.000 0.769 106 L CB -0.625 41.326 42.059 -0.180 0.000 0.890 106 L HN 0.218 nan 8.230 nan 0.000 0.435 107 Y N -0.075 120.199 120.300 -0.043 0.000 2.242 107 Y HA -0.227 4.323 4.550 -0.000 0.000 0.291 107 Y C 2.658 178.550 175.900 -0.014 0.000 1.137 107 Y CA 1.397 59.481 58.100 -0.026 0.000 1.181 107 Y CB -0.096 38.352 38.460 -0.019 0.000 0.989 107 Y HN 0.192 nan 8.280 nan 0.000 0.527 108 E N -0.357 119.917 120.200 0.122 0.000 2.118 108 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 108 E C 1.998 178.612 176.600 0.024 0.000 0.992 108 E CA 1.233 57.675 56.400 0.070 0.000 0.804 108 E CB -0.294 29.435 29.700 0.049 0.000 0.741 108 E HN 0.301 nan 8.360 nan 0.000 0.458 109 L N 0.753 121.966 121.223 -0.016 0.000 2.093 109 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 109 L C 2.143 178.982 176.870 -0.052 0.000 1.085 109 L CA 1.902 56.704 54.840 -0.064 0.000 0.755 109 L CB -0.572 41.403 42.059 -0.141 0.000 0.904 109 L HN 0.010 nan 8.230 nan 0.000 0.435 110 A N -0.792 121.987 122.820 -0.069 0.000 1.877 110 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 110 A C 2.179 179.782 177.584 0.031 0.000 1.186 110 A CA 1.724 53.736 52.037 -0.042 0.000 0.620 110 A CB -0.661 18.277 19.000 -0.102 0.000 0.822 110 A HN 0.572 nan 8.150 nan 0.000 0.443 111 E N -0.519 119.717 120.200 0.062 0.000 2.118 111 E HA -0.239 4.110 4.350 -0.000 0.000 0.195 111 E C 2.094 178.663 176.600 -0.052 0.000 0.992 111 E CA 1.530 57.977 56.400 0.078 0.000 0.804 111 E CB -0.121 29.635 29.700 0.093 0.000 0.741 111 E HN 0.636 nan 8.360 nan 0.000 0.458 112 K N 0.123 120.462 120.400 -0.100 0.000 2.026 112 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 112 K C 1.593 177.866 176.600 -0.545 0.000 1.048 112 K CA 1.212 57.344 56.287 -0.259 0.000 0.929 112 K CB 0.048 32.466 32.500 -0.136 0.000 0.713 112 K HN 0.243 nan 8.250 nan 0.000 0.439 113 H N -0.573 118.300 119.070 -0.328 0.000 2.524 113 H HA 0.030 4.586 4.556 -0.000 0.000 0.280 113 H C -0.436 174.783 175.328 -0.181 0.000 1.018 113 H CA 0.149 56.030 56.048 -0.279 0.000 1.165 113 H CB 0.155 29.810 29.762 -0.178 0.000 1.411 113 H HN 0.335 nan 8.280 nan 0.000 0.569 114 H N 0.466 119.574 119.070 0.064 0.000 2.655 114 H HA -0.153 4.403 4.556 -0.000 0.000 0.313 114 H C -0.079 175.290 175.328 0.068 0.000 1.141 114 H CA 0.487 56.569 56.048 0.055 0.000 1.138 114 H CB -1.489 28.292 29.762 0.032 0.000 1.446 114 H HN 0.488 nan 8.280 nan 0.000 0.415 115 Q N 0.534 120.422 119.800 0.147 0.000 2.345 115 Q HA 0.406 4.745 4.340 -0.000 0.000 0.268 115 Q C -2.139 173.930 176.000 0.115 0.000 1.054 115 Q CA -1.809 54.064 55.803 0.116 0.000 0.835 115 Q CB 2.570 31.356 28.738 0.080 0.000 1.339 115 Q HN 0.173 nan 8.270 nan 0.000 0.447 116 P HA 0.217 nan 4.420 nan 0.000 0.285 116 P C -0.877 176.531 177.300 0.181 0.000 1.259 116 P CA -0.562 62.652 63.100 0.191 0.000 0.794 116 P CB 0.884 32.720 31.700 0.227 0.000 0.940 117 L N 5.222 126.518 121.223 0.122 0.000 2.366 117 L HA 0.405 4.745 4.340 -0.000 0.000 0.266 117 L C -1.397 175.514 176.870 0.069 0.000 1.010 117 L CA -1.066 53.740 54.840 -0.058 0.000 0.879 117 L CB 0.399 42.161 42.059 -0.496 0.000 1.228 117 L HN 0.232 nan 8.230 nan 0.000 0.439 118 Y N 4.133 124.402 120.300 -0.052 0.000 2.327 118 Y HA 0.585 5.135 4.550 -0.000 0.000 0.336 118 Y C -0.403 175.245 175.900 -0.420 0.000 1.035 118 Y CA -0.249 57.815 58.100 -0.059 0.000 1.165 118 Y CB 1.286 39.833 38.460 0.145 0.000 1.181 118 Y HN 0.369 nan 8.280 nan 0.000 0.494 119 V N 5.698 125.293 119.914 -0.532 0.000 2.407 119 V HA 0.337 4.457 4.120 -0.000 0.000 0.278 119 V C 0.603 176.282 176.094 -0.691 0.000 1.037 119 V CA -0.654 61.281 62.300 -0.608 0.000 0.900 119 V CB 1.283 32.943 31.823 -0.273 0.000 0.983 119 V HN 1.019 nan 8.190 nan 0.000 0.459 120 G N 4.575 112.895 108.800 -0.800 0.000 2.563 120 G HA2 0.296 4.256 3.960 -0.000 0.000 0.295 120 G HA3 0.296 4.256 3.960 -0.000 0.000 0.295 120 G C -0.543 174.175 174.900 -0.303 0.000 0.874 120 G CA 0.054 44.975 45.100 -0.299 0.000 1.642 120 G HN 0.556 nan 8.290 nan 0.000 0.483 121 F N 2.607 122.592 119.950 0.059 0.000 2.359 121 F HA 0.175 4.702 4.527 -0.000 0.000 0.370 121 F C 1.434 177.292 175.800 0.096 0.000 1.077 121 F CA -1.236 56.786 58.000 0.037 0.000 1.136 121 F CB 1.339 40.301 39.000 -0.064 0.000 1.387 121 F HN 0.506 nan 8.300 nan 0.000 0.468 122 N N 2.417 121.198 118.700 0.136 0.000 2.309 122 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 122 N C 1.066 176.538 175.510 -0.063 0.000 1.018 122 N CA 0.895 53.891 53.050 -0.092 0.000 0.876 122 N CB -0.142 37.905 38.487 -0.734 0.000 0.972 122 N HN 0.457 nan 8.380 nan 0.000 0.434 123 R N 0.256 120.747 120.500 -0.016 0.000 2.391 123 R HA 0.211 4.551 4.340 -0.000 0.000 0.225 123 R C 0.955 177.262 176.300 0.011 0.000 1.079 123 R CA 0.131 56.242 56.100 0.019 0.000 1.147 123 R CB 0.035 30.335 30.300 0.001 0.000 1.103 123 R HN 0.271 nan 8.270 nan 0.000 0.499 124 R N -1.110 119.343 120.500 -0.078 0.000 2.476 124 R HA 0.151 4.491 4.340 -0.000 0.000 0.276 124 R C 0.282 176.294 176.300 -0.481 0.000 0.941 124 R CA 0.092 56.037 56.100 -0.259 0.000 1.088 124 R CB 0.707 30.778 30.300 -0.382 0.000 1.216 124 R HN 0.322 nan 8.270 nan 0.000 0.533 125 H N -0.313 118.771 119.070 0.023 0.000 2.916 125 H HA 0.226 4.782 4.556 -0.000 0.000 0.262 125 H C -0.045 175.240 175.328 -0.072 0.000 1.178 125 H CA -0.276 55.775 56.048 0.004 0.000 1.090 125 H CB 0.844 30.616 29.762 0.017 0.000 1.657 125 H HN -0.025 nan 8.280 nan 0.000 0.601 126 I N 5.496 126.035 120.570 -0.051 0.000 2.576 126 I HA -0.049 4.121 4.170 -0.000 0.000 0.288 126 I C -0.916 175.106 176.117 -0.158 0.000 1.126 126 I CA -1.016 60.151 61.300 -0.222 0.000 1.362 126 I CB 0.842 38.588 38.000 -0.424 0.000 1.419 126 I HN 0.006 nan 8.210 nan 0.000 0.533 127 P HA -0.270 nan 4.420 nan 0.000 0.215 127 P C 1.719 178.991 177.300 -0.045 0.000 1.163 127 P CA 1.411 64.484 63.100 -0.045 0.000 0.894 127 P CB 0.293 31.978 31.700 -0.024 0.000 0.791 128 L N -1.194 119.974 121.223 -0.092 0.000 2.017 128 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 128 L C 2.744 179.655 176.870 0.068 0.000 1.073 128 L CA 1.933 56.780 54.840 0.012 0.000 0.745 128 L CB -1.684 40.371 42.059 -0.007 0.000 0.894 128 L HN -0.143 nan 8.230 nan 0.000 0.432 129 Y N -0.281 119.849 120.300 -0.283 0.000 2.200 129 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 129 Y C 2.487 178.314 175.900 -0.122 0.000 1.137 129 Y CA 1.041 58.923 58.100 -0.364 0.000 1.163 129 Y CB -1.417 36.844 38.460 -0.331 0.000 0.988 129 Y HN 0.339 nan 8.280 nan 0.000 0.518 130 N N 0.060 118.816 118.700 0.093 0.000 2.459 130 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 130 N C 1.807 177.324 175.510 0.011 0.000 1.046 130 N CA 0.728 53.812 53.050 0.056 0.000 0.904 130 N CB -0.354 38.160 38.487 0.046 0.000 0.964 130 N HN 0.515 nan 8.380 nan 0.000 0.444 131 Q N -0.269 119.518 119.800 -0.023 0.000 2.172 131 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 131 Q C 0.847 176.681 176.000 -0.277 0.000 0.964 131 Q CA 1.107 56.819 55.803 -0.152 0.000 0.855 131 Q CB 0.132 28.744 28.738 -0.210 0.000 0.918 131 Q HN 0.526 nan 8.270 nan 0.000 0.444 132 H N -1.096 117.974 119.070 0.001 0.000 2.654 132 H HA 0.225 4.781 4.556 -0.000 0.000 0.264 132 H C 0.023 175.244 175.328 -0.179 0.000 0.954 132 H CA 0.332 56.325 56.048 -0.092 0.000 1.199 132 H CB 0.817 30.488 29.762 -0.152 0.000 1.446 132 H HN 0.142 nan 8.280 nan 0.000 0.516 133 L N 2.137 123.374 121.223 0.022 0.000 2.495 133 L HA 0.175 4.515 4.340 -0.000 0.000 0.248 133 L C 1.319 178.243 176.870 0.091 0.000 1.229 133 L CA -0.361 54.528 54.840 0.082 0.000 0.942 133 L CB 1.364 43.469 42.059 0.077 0.000 1.242 133 L HN 0.023 nan 8.230 nan 0.000 0.484 134 S N -0.866 114.878 115.700 0.073 0.000 2.402 134 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 134 S C 1.478 176.125 174.600 0.078 0.000 1.030 134 S CA 1.199 59.435 58.200 0.059 0.000 1.003 134 S CB -0.056 63.168 63.200 0.041 0.000 0.813 134 S HN 0.578 nan 8.310 nan 0.000 0.477 135 E N 1.615 121.885 120.200 0.116 0.000 2.171 135 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 135 E C 1.908 178.550 176.600 0.071 0.000 0.997 135 E CA 1.138 57.597 56.400 0.098 0.000 0.810 135 E CB -0.548 29.223 29.700 0.118 0.000 0.738 135 E HN 0.583 nan 8.360 nan 0.000 0.467 136 L N -0.580 120.691 121.223 0.079 0.000 2.109 136 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 136 L C 2.304 179.199 176.870 0.041 0.000 1.086 136 L CA 0.946 55.829 54.840 0.071 0.000 0.760 136 L CB -0.416 41.714 42.059 0.119 0.000 0.910 136 L HN 0.147 nan 8.230 nan 0.000 0.437 137 A N -0.801 122.048 122.820 0.049 0.000 1.930 137 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 137 A C 2.162 179.778 177.584 0.053 0.000 1.175 137 A CA 1.103 53.166 52.037 0.043 0.000 0.627 137 A CB -0.211 18.819 19.000 0.050 0.000 0.815 137 A HN 0.352 nan 8.150 nan 0.000 0.443 138 Q N -0.881 118.949 119.800 0.050 0.000 2.432 138 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 138 Q C -0.186 175.843 176.000 0.049 0.000 0.945 138 Q CA 0.567 56.396 55.803 0.044 0.000 0.924 138 Q CB -0.044 28.711 28.738 0.027 0.000 1.016 138 Q HN 0.790 nan 8.270 nan 0.000 0.503 139 Q N 0.392 120.222 119.800 0.050 0.000 2.468 139 Q HA -0.201 4.139 4.340 -0.000 0.000 0.289 139 Q C -0.687 175.341 176.000 0.046 0.000 1.299 139 Q CA 0.815 56.649 55.803 0.051 0.000 0.838 139 Q CB -1.486 27.314 28.738 0.102 0.000 1.195 139 Q HN 0.475 nan 8.270 nan 0.000 0.456 140 E N -1.415 118.804 120.200 0.032 0.000 2.449 140 E HA 0.373 4.723 4.350 -0.000 0.000 0.254 140 E C 0.201 176.818 176.600 0.027 0.000 0.907 140 E CA -0.769 55.646 56.400 0.025 0.000 0.840 140 E CB 0.869 30.578 29.700 0.015 0.000 1.459 140 E HN 0.159 nan 8.360 nan 0.000 0.407 141 C N 0.208 119.523 119.300 0.025 0.000 2.611 141 C HA 0.269 4.729 4.460 -0.000 0.000 0.282 141 C C 1.589 176.598 174.990 0.030 0.000 1.321 141 C CA 0.581 59.606 59.018 0.012 0.000 1.747 141 C CB -0.949 26.794 27.740 0.006 0.000 2.124 141 C HN 1.026 nan 8.230 nan 0.000 0.531 142 G N 1.547 110.378 108.800 0.050 0.000 2.690 142 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.334 142 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.334 142 G C 0.998 175.959 174.900 0.102 0.000 1.250 142 G CA 1.015 46.164 45.100 0.082 0.000 0.994 142 G HN 1.054 nan 8.290 nan 0.000 0.549 143 A N -0.437 122.499 122.820 0.192 0.000 2.348 143 A HA 0.674 4.994 4.320 -0.000 0.000 0.224 143 A C 1.147 178.838 177.584 0.179 0.000 1.227 143 A CA 0.185 52.364 52.037 0.237 0.000 0.885 143 A CB -0.003 19.195 19.000 0.330 0.000 0.933 143 A HN 0.666 nan 8.150 nan 0.000 0.506 144 L N 0.851 122.049 121.223 -0.042 0.000 2.559 144 L HA 0.031 4.371 4.340 -0.000 0.000 0.274 144 L C 1.386 178.136 176.870 -0.201 0.000 1.205 144 L CA -0.394 54.217 54.840 -0.382 0.000 0.907 144 L CB 0.454 42.328 42.059 -0.308 0.000 1.153 144 L HN 0.309 nan 8.230 nan 0.000 0.490 145 R N 1.366 121.738 120.500 -0.214 0.000 2.265 145 R HA 0.152 4.492 4.340 -0.000 0.000 0.194 145 R C 0.179 176.413 176.300 -0.110 0.000 0.931 145 R CA 0.339 56.378 56.100 -0.101 0.000 1.032 145 R CB 0.321 30.596 30.300 -0.042 0.000 0.980 145 R HN 0.759 nan 8.270 nan 0.000 0.497 146 S N -0.527 115.080 115.700 -0.154 0.000 2.565 146 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 146 S C -1.704 172.814 174.600 -0.137 0.000 1.144 146 S CA -1.017 57.110 58.200 -0.121 0.000 0.849 146 S CB 1.438 64.598 63.200 -0.066 0.000 1.103 146 S HN -0.002 nan 8.310 nan 0.000 0.455 147 L N 1.704 122.863 121.223 -0.106 0.000 2.580 147 L HA 0.696 5.036 4.340 -0.000 0.000 0.266 147 L C -0.865 175.989 176.870 -0.028 0.000 0.955 147 L CA -0.222 54.572 54.840 -0.077 0.000 0.886 147 L CB 1.874 43.887 42.059 -0.077 0.000 1.263 147 L HN 0.992 nan 8.230 nan 0.000 0.406 148 R N 4.795 125.282 120.500 -0.022 0.000 2.439 148 R HA 0.419 4.759 4.340 -0.000 0.000 0.310 148 R C -1.976 174.314 176.300 -0.017 0.000 0.955 148 R CA -0.579 55.504 56.100 -0.029 0.000 0.853 148 R CB 1.149 31.405 30.300 -0.073 0.000 1.171 148 R HN 0.710 nan 8.270 nan 0.000 0.449 149 W N 5.298 126.498 121.300 -0.167 0.000 2.417 149 W HA 0.356 5.016 4.660 -0.000 0.000 0.315 149 W C -1.130 175.285 176.519 -0.172 0.000 1.045 149 W CA -0.591 56.667 57.345 -0.144 0.000 1.221 149 W CB 1.536 30.927 29.460 -0.114 0.000 1.309 149 W HN 0.661 nan 8.180 nan 0.000 0.453 150 E N 4.011 124.221 120.200 0.016 0.000 2.187 150 E HA 0.303 4.653 4.350 -0.000 0.000 0.268 150 E C -0.916 175.575 176.600 -0.181 0.000 0.896 150 E CA -0.801 55.529 56.400 -0.116 0.000 0.766 150 E CB 2.948 32.411 29.700 -0.395 0.000 1.142 150 E HN 0.159 nan 8.360 nan 0.000 0.408 151 K N 3.081 123.442 120.400 -0.064 0.000 2.656 151 K HA 0.234 4.554 4.320 -0.000 0.000 0.241 151 K C -1.322 175.332 176.600 0.091 0.000 0.967 151 K CA -0.572 55.704 56.287 -0.019 0.000 0.946 151 K CB 0.489 33.075 32.500 0.142 0.000 1.164 151 K HN 0.502 nan 8.250 nan 0.000 0.459 152 H N 1.759 120.735 119.070 -0.158 0.000 2.567 152 H HA 0.566 5.122 4.556 -0.000 0.000 0.345 152 H C -0.127 175.204 175.328 0.004 0.000 1.169 152 H CA -0.627 55.326 56.048 -0.159 0.000 1.227 152 H CB 1.242 30.661 29.762 -0.571 0.000 1.607 152 H HN 0.419 nan 8.280 nan 0.000 0.534 153 R N 0.083 120.727 120.500 0.239 0.000 2.771 153 R HA 0.224 4.564 4.340 -0.000 0.000 0.274 153 R C -0.999 175.483 176.300 0.303 0.000 0.987 153 R CA -0.995 55.238 56.100 0.222 0.000 0.908 153 R CB 2.219 32.600 30.300 0.136 0.000 1.213 153 R HN 0.592 nan 8.270 nan 0.000 0.468 154 H N 0.817 119.988 119.070 0.168 0.000 2.502 154 H HA 0.350 4.906 4.556 -0.000 0.000 0.327 154 H C 0.010 175.409 175.328 0.118 0.000 1.099 154 H CA 0.382 56.520 56.048 0.149 0.000 1.323 154 H CB 1.293 31.125 29.762 0.116 0.000 1.450 154 H HN 0.840 nan 8.280 nan 0.000 0.502 155 A N 4.456 127.073 122.820 -0.338 0.000 2.311 155 A HA -0.204 4.116 4.320 -0.000 0.000 0.284 155 A C -0.162 177.353 177.584 -0.115 0.000 1.409 155 A CA 1.181 53.035 52.037 -0.306 0.000 0.764 155 A CB -1.881 16.757 19.000 -0.603 0.000 1.095 155 A HN 0.682 nan 8.150 nan 0.000 0.369 156 L N 1.556 122.784 121.223 0.008 0.000 2.574 156 L HA 0.351 4.691 4.340 -0.000 0.000 0.258 156 L C -2.161 174.772 176.870 0.106 0.000 1.520 156 L CA -1.215 53.652 54.840 0.046 0.000 0.775 156 L CB 1.585 43.674 42.059 0.050 0.000 1.028 156 L HN 0.318 nan 8.230 nan 0.000 0.516 157 P HA 0.464 nan 4.420 nan 0.000 0.274 157 P C -0.278 177.129 177.300 0.178 0.000 1.237 157 P CA 0.076 63.288 63.100 0.187 0.000 0.793 157 P CB 1.875 33.652 31.700 0.129 0.000 0.977 158 G N 0.427 109.378 108.800 0.251 0.000 2.687 158 G HA2 0.390 4.350 3.960 -0.000 0.000 0.291 158 G HA3 0.390 4.350 3.960 -0.000 0.000 0.291 158 G C -1.358 173.633 174.900 0.153 0.000 1.420 158 G CA -0.675 44.543 45.100 0.198 0.000 0.796 158 G HN 0.622 nan 8.290 nan 0.000 0.485 159 D N -0.230 120.234 120.400 0.107 0.000 2.345 159 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 159 D C 1.695 178.031 176.300 0.060 0.000 1.108 159 D CA -0.515 53.513 54.000 0.046 0.000 0.894 159 D CB 1.603 42.422 40.800 0.032 0.000 1.203 159 D HN 0.328 nan 8.370 nan 0.000 0.430 160 I N 0.783 121.329 120.570 -0.040 0.000 2.094 160 I HA -0.422 3.748 4.170 -0.000 0.000 0.236 160 I C 2.728 178.890 176.117 0.075 0.000 1.016 160 I CA 1.457 62.714 61.300 -0.071 0.000 1.294 160 I CB -0.500 37.421 38.000 -0.131 0.000 1.006 160 I HN 0.368 nan 8.210 nan 0.000 0.397 161 R N 0.496 121.042 120.500 0.076 0.000 2.115 161 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 161 R C 2.345 178.780 176.300 0.225 0.000 1.133 161 R CA 2.478 58.661 56.100 0.138 0.000 0.935 161 R CB -1.425 28.891 30.300 0.026 0.000 0.853 161 R HN 0.462 nan 8.270 nan 0.000 0.433 162 T N 1.213 115.869 114.554 0.171 0.000 2.652 162 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 162 T C 1.639 176.496 174.700 0.262 0.000 1.039 162 T CA 1.561 63.773 62.100 0.187 0.000 1.153 162 T CB -0.491 68.458 68.868 0.136 0.000 0.863 162 T HN 0.280 nan 8.240 nan 0.000 0.428 163 F N 1.422 121.429 119.950 0.095 0.000 2.065 163 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 163 F C 2.251 178.132 175.800 0.135 0.000 1.112 163 F CA 1.212 59.271 58.000 0.099 0.000 1.212 163 F CB -0.246 38.782 39.000 0.045 0.000 0.975 163 F HN -0.081 nan 8.300 nan 0.000 0.476 164 V N -0.465 119.754 119.914 0.509 0.000 2.255 164 V HA -0.272 3.848 4.120 -0.000 0.000 0.243 164 V C 2.012 178.248 176.094 0.238 0.000 1.038 164 V CA 1.909 64.433 62.300 0.373 0.000 1.008 164 V CB -0.860 31.088 31.823 0.208 0.000 0.645 164 V HN 0.266 nan 8.190 nan 0.000 0.449 165 F N 0.240 120.284 119.950 0.157 0.000 2.407 165 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 165 F C 2.010 177.858 175.800 0.081 0.000 1.097 165 F CA 1.259 59.328 58.000 0.116 0.000 1.422 165 F CB -0.056 39.004 39.000 0.101 0.000 1.067 165 F HN 0.237 nan 8.300 nan 0.000 0.539 166 D N -1.572 118.966 120.400 0.230 0.000 2.407 166 D HA -0.004 4.636 4.640 -0.000 0.000 0.208 166 D C 1.137 177.482 176.300 0.074 0.000 1.083 166 D CA 0.453 54.533 54.000 0.133 0.000 0.844 166 D CB 0.527 41.407 40.800 0.133 0.000 0.967 166 D HN 0.234 nan 8.370 nan 0.000 0.506 167 D N -0.897 119.546 120.400 0.072 0.000 3.118 167 D HA -0.008 4.632 4.640 -0.000 0.000 0.222 167 D C 1.247 177.601 176.300 0.089 0.000 1.470 167 D CA -0.310 53.727 54.000 0.062 0.000 1.347 167 D CB -0.298 40.456 40.800 -0.076 0.000 1.221 167 D HN -0.114 nan 8.370 nan 0.000 0.326 168 F N 1.692 121.617 119.950 -0.041 0.000 2.287 168 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 168 F C 2.034 177.816 175.800 -0.030 0.000 1.069 168 F CA 0.715 58.733 58.000 0.030 0.000 1.372 168 F CB -0.099 39.007 39.000 0.177 0.000 1.056 168 F HN 0.022 nan 8.300 nan 0.000 0.523 169 I N -0.346 120.200 120.570 -0.041 0.000 2.530 169 I HA -0.305 3.865 4.170 -0.000 0.000 0.257 169 I C 2.406 178.367 176.117 -0.260 0.000 1.179 169 I CA 1.470 62.654 61.300 -0.194 0.000 1.440 169 I CB -0.633 37.259 38.000 -0.179 0.000 1.087 169 I HN 0.133 nan 8.210 nan 0.000 0.440 170 H N 1.501 120.478 119.070 -0.154 0.000 2.256 170 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 170 H C -0.537 174.470 175.328 -0.535 0.000 1.062 170 H CA 2.119 58.035 56.048 -0.220 0.000 1.283 170 H CB -2.081 27.620 29.762 -0.102 0.000 1.379 170 H HN 0.272 nan 8.280 nan 0.000 0.493 171 P HA -0.120 nan 4.420 nan 0.000 0.218 171 P C 1.994 178.914 177.300 -0.633 0.000 1.149 171 P CA 0.887 63.551 63.100 -0.727 0.000 0.817 171 P CB -0.022 31.451 31.700 -0.379 0.000 0.785 172 L N 1.211 122.029 121.223 -0.676 0.000 1.976 172 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 172 L C 2.287 178.968 176.870 -0.315 0.000 1.071 172 L CA 2.398 56.973 54.840 -0.441 0.000 0.746 172 L CB -1.639 40.190 42.059 -0.384 0.000 0.890 172 L HN -0.109 nan 8.230 nan 0.000 0.432 173 D N -1.521 118.612 120.400 -0.445 0.000 2.117 173 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 173 D C 2.046 178.045 176.300 -0.501 0.000 0.987 173 D CA 1.460 55.134 54.000 -0.543 0.000 0.829 173 D CB -0.006 40.203 40.800 -0.984 0.000 0.961 173 D HN 0.361 nan 8.370 nan 0.000 0.460 174 S N -0.896 114.435 115.700 -0.614 0.000 2.402 174 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 174 S C 1.925 176.287 174.600 -0.397 0.000 1.030 174 S CA 0.905 58.671 58.200 -0.724 0.000 1.003 174 S CB -0.161 62.046 63.200 -1.655 0.000 0.813 174 S HN 0.216 nan 8.310 nan 0.000 0.477 175 V N 1.715 121.460 119.914 -0.282 0.000 3.354 175 V HA 0.143 4.263 4.120 -0.000 0.000 0.258 175 V C 0.908 176.974 176.094 -0.046 0.000 1.159 175 V CA 0.430 62.675 62.300 -0.093 0.000 1.125 175 V CB -0.386 31.396 31.823 -0.068 0.000 0.774 175 V HN 0.348 nan 8.190 nan 0.000 0.464 176 N N 1.160 119.861 118.700 0.002 0.000 3.127 176 N HA 0.057 4.797 4.740 -0.000 0.000 0.317 176 N C 0.792 176.336 175.510 0.056 0.000 1.242 176 N CA 0.305 53.442 53.050 0.145 0.000 1.203 176 N CB -0.438 38.076 38.487 0.044 0.000 1.462 176 N HN 0.416 nan 8.380 nan 0.000 0.546 177 L N -0.451 120.805 121.223 0.055 0.000 2.554 177 L HA 0.032 4.372 4.340 -0.000 0.000 0.226 177 L C 1.710 178.623 176.870 0.071 0.000 1.137 177 L CA 0.386 55.246 54.840 0.034 0.000 0.863 177 L CB -0.120 41.946 42.059 0.011 0.000 0.985 177 L HN 0.366 nan 8.230 nan 0.000 0.451 178 S N -1.039 114.748 115.700 0.145 0.000 2.540 178 S HA 0.117 4.587 4.470 -0.000 0.000 0.218 178 S C 0.897 175.564 174.600 0.111 0.000 0.977 178 S CA -0.541 57.753 58.200 0.157 0.000 0.918 178 S CB 0.067 63.437 63.200 0.283 0.000 0.806 178 S HN 0.356 nan 8.310 nan 0.000 0.496 179 R N 0.421 120.967 120.500 0.076 0.000 3.336 179 R HA -0.150 4.190 4.340 -0.000 0.000 0.260 179 R C -0.365 175.918 176.300 -0.028 0.000 1.032 179 R CA 0.617 56.721 56.100 0.006 0.000 0.693 179 R CB -2.162 28.139 30.300 0.001 0.000 1.134 179 R HN 0.650 nan 8.270 nan 0.000 0.433 180 Q N 0.234 120.003 119.800 -0.052 0.000 2.352 180 Q HA 0.247 4.587 4.340 -0.000 0.000 0.260 180 Q C 0.682 176.546 176.000 -0.227 0.000 0.976 180 Q CA 0.495 56.163 55.803 -0.226 0.000 0.881 180 Q CB 0.824 29.191 28.738 -0.617 0.000 1.235 180 Q HN 0.509 nan 8.270 nan 0.000 0.419 181 C N 3.015 122.193 119.300 -0.203 0.000 3.245 181 C HA 0.557 5.017 4.460 -0.000 0.000 0.254 181 C C -0.470 174.439 174.990 -0.135 0.000 1.931 181 C CA -0.215 58.715 59.018 -0.146 0.000 1.726 181 C CB -1.657 26.030 27.740 -0.088 0.000 3.348 181 C HN 0.940 nan 8.230 nan 0.000 0.458 182 N N -0.045 118.541 118.700 -0.190 0.000 3.441 182 N HA 0.294 5.034 4.740 -0.000 0.000 0.313 182 N C -0.574 174.826 175.510 -0.184 0.000 1.526 182 N CA -0.924 52.039 53.050 -0.144 0.000 0.871 182 N CB 0.357 38.783 38.487 -0.101 0.000 1.779 182 N HN 0.082 nan 8.380 nan 0.000 0.529 183 L N -0.276 120.875 121.223 -0.120 0.000 2.872 183 L HA 0.350 4.690 4.340 -0.000 0.000 0.245 183 L C -0.882 175.943 176.870 -0.075 0.000 1.211 183 L CA -0.262 54.517 54.840 -0.102 0.000 1.013 183 L CB -0.655 41.372 42.059 -0.052 0.000 1.326 183 L HN 0.377 nan 8.230 nan 0.000 0.525 184 D N 1.549 121.894 120.400 -0.091 0.000 2.434 184 D HA 0.031 4.671 4.640 -0.000 0.000 0.252 184 D C 0.464 176.749 176.300 -0.026 0.000 1.185 184 D CA 0.477 54.446 54.000 -0.050 0.000 0.886 184 D CB 0.351 41.119 40.800 -0.053 0.000 1.148 184 D HN 0.081 nan 8.370 nan 0.000 0.483 185 D N 0.906 121.318 120.400 0.019 0.000 2.811 185 D HA -0.221 4.419 4.640 -0.000 0.000 0.231 185 D C -0.405 175.961 176.300 0.110 0.000 1.157 185 D CA 0.587 54.624 54.000 0.061 0.000 0.716 185 D CB -0.779 40.061 40.800 0.067 0.000 1.077 185 D HN 0.365 nan 8.370 nan 0.000 0.428 186 L N 0.003 121.279 121.223 0.089 0.000 2.346 186 L HA 0.415 4.755 4.340 -0.000 0.000 0.274 186 L C -0.207 176.779 176.870 0.194 0.000 1.007 186 L CA -0.772 54.160 54.840 0.154 0.000 0.818 186 L CB 2.239 44.290 42.059 -0.013 0.000 1.284 186 L HN 0.010 nan 8.230 nan 0.000 0.424 187 H N 4.745 123.889 119.070 0.122 0.000 2.467 187 H HA 0.460 5.016 4.556 -0.000 0.000 0.326 187 H C -1.597 173.785 175.328 0.090 0.000 1.094 187 H CA -0.739 55.354 56.048 0.075 0.000 1.253 187 H CB 2.026 31.815 29.762 0.045 0.000 1.439 187 H HN 0.508 nan 8.280 nan 0.000 0.479 188 L N 5.073 126.143 121.223 -0.254 0.000 2.406 188 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 188 L C -0.956 175.762 176.870 -0.255 0.000 0.980 188 L CA -0.262 54.496 54.840 -0.136 0.000 0.831 188 L CB 1.759 43.807 42.059 -0.018 0.000 1.253 188 L HN 0.692 nan 8.230 nan 0.000 0.406 189 T N 1.578 116.039 114.554 -0.154 0.000 2.893 189 T HA 0.853 5.203 4.350 -0.000 0.000 0.291 189 T C -0.756 173.930 174.700 -0.023 0.000 1.028 189 T CA -0.483 61.505 62.100 -0.187 0.000 0.995 189 T CB 1.718 70.499 68.868 -0.145 0.000 1.051 189 T HN 0.724 nan 8.240 nan 0.000 0.470 190 Y N -1.239 119.025 120.300 -0.060 0.000 2.744 190 Y HA 0.813 5.363 4.550 -0.000 0.000 0.330 190 Y C -0.853 175.064 175.900 0.029 0.000 1.263 190 Y CA -1.329 56.734 58.100 -0.060 0.000 1.065 190 Y CB 0.983 39.345 38.460 -0.163 0.000 1.306 190 Y HN 1.086 nan 8.280 nan 0.000 0.459 194 E N 2.787 122.965 120.200 -0.036 0.000 2.238 194 E HA -0.249 4.101 4.350 -0.000 0.000 0.219 194 E C 1.030 177.617 176.600 -0.021 0.000 1.275 194 E CA 1.348 57.737 56.400 -0.017 0.000 0.714 194 E CB -1.478 28.223 29.700 0.002 0.000 1.154 194 E HN 1.732 nan 8.360 nan 0.000 0.363 195 G N -1.216 107.561 108.800 -0.038 0.000 2.225 195 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 195 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 195 G C 0.267 175.141 174.900 -0.043 0.000 0.988 195 G CA 0.425 45.503 45.100 -0.037 0.000 0.625 195 G HN 0.296 nan 8.290 nan 0.000 0.527 196 L N 0.097 121.295 121.223 -0.041 0.000 2.303 196 L HA 0.673 5.013 4.340 -0.000 0.000 0.266 196 L C 0.570 177.392 176.870 -0.080 0.000 1.011 196 L CA -1.164 53.654 54.840 -0.036 0.000 0.818 196 L CB 1.875 43.945 42.059 0.018 0.000 1.326 196 L HN 0.071 nan 8.230 nan 0.000 0.435 197 L N 1.118 122.268 121.223 -0.122 0.000 2.313 197 L HA 0.259 4.599 4.340 -0.000 0.000 0.282 197 L C 0.704 177.506 176.870 -0.114 0.000 1.092 197 L CA 0.068 54.731 54.840 -0.294 0.000 0.831 197 L CB 1.529 43.171 42.059 -0.694 0.000 1.159 197 L HN 0.906 nan 8.230 nan 0.000 0.442 198 A N 6.289 129.100 122.820 -0.014 0.000 1.909 198 A HA 0.153 4.473 4.320 -0.000 0.000 0.210 198 A C 0.664 178.426 177.584 0.297 0.000 1.273 198 A CA 0.293 52.452 52.037 0.202 0.000 0.654 198 A CB 0.230 19.393 19.000 0.271 0.000 0.945 198 A HN 0.798 nan 8.150 nan 0.000 0.471 199 R N -1.397 119.225 120.500 0.203 0.000 2.673 199 R HA 0.749 5.089 4.340 -0.000 0.000 0.281 199 R C -1.838 174.535 176.300 0.120 0.000 0.991 199 R CA -0.631 55.612 56.100 0.238 0.000 0.896 199 R CB 1.376 31.786 30.300 0.183 0.000 1.201 199 R HN 0.206 nan 8.270 nan 0.000 0.457 200 L N 1.597 122.917 121.223 0.162 0.000 2.410 200 L HA 0.536 4.876 4.340 -0.000 0.000 0.270 200 L C -1.775 175.194 176.870 0.165 0.000 0.983 200 L CA -0.211 54.618 54.840 -0.018 0.000 0.822 200 L CB 2.343 44.140 42.059 -0.437 0.000 1.285 200 L HN 0.848 nan 8.230 nan 0.000 0.409 201 D N 3.566 124.076 120.400 0.184 0.000 2.620 201 D HA 0.606 5.246 4.640 -0.000 0.000 0.252 201 D C -1.276 175.210 176.300 0.310 0.000 1.207 201 D CA -0.081 54.133 54.000 0.356 0.000 0.884 201 D CB 2.235 43.224 40.800 0.315 0.000 1.262 201 D HN 0.249 nan 8.370 nan 0.000 0.552 202 V N 3.404 123.617 119.914 0.498 0.000 2.483 202 V HA 0.536 4.656 4.120 -0.000 0.000 0.297 202 V C -0.649 175.720 176.094 0.458 0.000 1.027 202 V CA -0.607 61.956 62.300 0.438 0.000 0.855 202 V CB 1.431 33.581 31.823 0.544 0.000 0.995 202 V HN 0.567 nan 8.190 nan 0.000 0.424 203 Q N 4.306 124.312 119.800 0.343 0.000 2.377 203 Q HA 0.795 5.135 4.340 -0.000 0.000 0.279 203 Q C -1.431 174.822 176.000 0.421 0.000 1.049 203 Q CA -1.000 54.951 55.803 0.246 0.000 0.825 203 Q CB 2.566 31.170 28.738 -0.223 0.000 1.401 203 Q HN 0.744 nan 8.270 nan 0.000 0.404 204 W N -0.036 121.286 121.300 0.037 0.000 3.074 204 W HA 0.551 5.211 4.660 -0.000 0.000 0.332 204 W C -1.829 174.702 176.519 0.019 0.000 1.253 204 W CA -0.911 56.451 57.345 0.029 0.000 1.180 204 W CB 1.582 31.063 29.460 0.035 0.000 1.445 204 W HN 0.812 nan 8.180 nan 0.000 0.573 205 Q N 1.628 121.516 119.800 0.146 0.000 2.348 205 Q HA 0.487 4.827 4.340 -0.000 0.000 0.265 205 Q C -1.024 175.047 176.000 0.119 0.000 0.998 205 Q CA -0.389 55.424 55.803 0.017 0.000 0.831 205 Q CB 1.730 30.479 28.738 0.018 0.000 1.251 205 Q HN 0.484 nan 8.270 nan 0.000 0.456 206 T N 3.656 118.242 114.554 0.053 0.000 2.801 206 T HA 0.514 4.864 4.350 -0.000 0.000 0.306 206 T C 0.536 175.266 174.700 0.049 0.000 1.020 206 T CA 0.316 62.486 62.100 0.116 0.000 0.948 206 T CB 0.983 69.936 68.868 0.141 0.000 0.962 206 T HN 0.974 nan 8.240 nan 0.000 0.465 207 G N 4.200 113.031 108.800 0.053 0.000 2.602 207 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.310 207 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.310 207 G C 0.255 175.165 174.900 0.016 0.000 1.183 207 G CA 0.335 45.454 45.100 0.032 0.000 0.979 207 G HN 0.668 nan 8.290 nan 0.000 0.545 208 D N 1.724 122.128 120.400 0.006 0.000 2.388 208 D HA 0.289 4.928 4.640 -0.000 0.000 0.221 208 D C 0.348 176.632 176.300 -0.026 0.000 1.133 208 D CA 0.856 54.854 54.000 -0.004 0.000 0.831 208 D CB 0.386 41.189 40.800 0.006 0.000 0.962 208 D HN 0.345 nan 8.370 nan 0.000 0.502 209 T N 1.243 115.771 114.554 -0.043 0.000 2.812 209 T HA 0.357 4.707 4.350 -0.000 0.000 0.282 209 T C -0.370 174.249 174.700 -0.136 0.000 0.990 209 T CA -0.621 61.426 62.100 -0.088 0.000 0.960 209 T CB 2.267 71.078 68.868 -0.094 0.000 0.948 209 T HN -0.095 nan 8.240 nan 0.000 0.438 210 L N 4.886 126.020 121.223 -0.149 0.000 2.264 210 L HA 0.519 4.859 4.340 -0.000 0.000 0.287 210 L C -0.942 175.765 176.870 -0.271 0.000 1.039 210 L CA -0.457 54.269 54.840 -0.189 0.000 0.829 210 L CB 0.019 42.014 42.059 -0.106 0.000 1.211 210 L HN 0.587 nan 8.230 nan 0.000 0.427 211 L N 5.472 126.371 121.223 -0.539 0.000 2.312 211 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 211 L C -0.434 176.153 176.870 -0.471 0.000 1.070 211 L CA -0.486 53.957 54.840 -0.661 0.000 0.805 211 L CB 1.006 42.302 42.059 -1.271 0.000 1.174 211 L HN 0.662 nan 8.230 nan 0.000 0.434 212 H N 2.434 121.330 119.070 -0.289 0.000 3.096 212 H HA 0.569 5.125 4.556 -0.000 0.000 0.335 212 H C -1.380 173.979 175.328 0.051 0.000 0.990 212 H CA -0.750 55.258 56.048 -0.066 0.000 1.393 212 H CB 1.617 31.378 29.762 -0.002 0.000 1.742 212 H HN 0.747 nan 8.280 nan 0.000 0.501 213 A N 4.201 127.276 122.820 0.426 0.000 2.271 213 A HA 0.522 4.842 4.320 -0.000 0.000 0.317 213 A C -0.460 177.388 177.584 0.440 0.000 1.245 213 A CA -0.280 51.884 52.037 0.211 0.000 0.857 213 A CB 1.355 20.326 19.000 -0.049 0.000 1.175 213 A HN 0.565 nan 8.150 nan 0.000 0.512 217 R N 1.318 121.972 120.500 0.257 0.000 2.328 217 R HA 0.051 4.391 4.340 -0.000 0.000 0.206 217 R C 0.166 176.596 176.300 0.217 0.000 0.990 217 R CA 0.358 56.589 56.100 0.218 0.000 1.085 217 R CB 0.068 30.516 30.300 0.246 0.000 0.998 217 R HN 0.574 nan 8.270 nan 0.000 0.484 218 Q N -0.247 119.694 119.800 0.234 0.000 2.227 218 Q HA 0.189 4.529 4.340 -0.000 0.000 0.332 218 Q C -1.273 174.880 176.000 0.254 0.000 0.878 218 Q CA -0.310 55.615 55.803 0.203 0.000 1.120 218 Q CB 0.362 29.207 28.738 0.179 0.000 1.315 218 Q HN -0.012 nan 8.270 nan 0.000 0.414 219 F N -1.310 118.703 119.950 0.106 0.000 2.370 219 F HA 0.496 5.023 4.527 -0.000 0.000 0.319 219 F C 1.518 177.426 175.800 0.179 0.000 1.129 219 F CA 0.269 58.326 58.000 0.094 0.000 1.109 219 F CB 1.184 40.234 39.000 0.085 0.000 1.262 219 F HN 0.158 nan 8.300 nan 0.000 0.534 220 G N 2.867 111.448 108.800 -0.365 0.000 2.559 220 G HA2 0.008 3.968 3.960 -0.000 0.000 0.216 220 G HA3 0.008 3.968 3.960 -0.000 0.000 0.216 220 G C 0.060 174.873 174.900 -0.145 0.000 1.126 220 G CA 0.748 45.705 45.100 -0.238 0.000 0.778 220 G HN 0.532 nan 8.290 nan 0.000 0.543 221 I N -1.533 119.104 120.570 0.111 0.000 2.882 221 I HA 0.238 4.408 4.170 -0.000 0.000 0.298 221 I C -1.135 175.186 176.117 0.340 0.000 1.462 221 I CA -0.730 60.661 61.300 0.153 0.000 1.000 221 I CB 1.989 40.042 38.000 0.088 0.000 1.340 221 I HN -0.172 nan 8.210 nan 0.000 0.462 222 T N 3.988 118.677 114.554 0.224 0.000 2.761 222 T HA 0.480 4.829 4.350 -0.000 0.000 0.296 222 T C -0.371 174.397 174.700 0.113 0.000 0.934 222 T CA 0.057 62.271 62.100 0.190 0.000 1.091 222 T CB 0.622 69.586 68.868 0.160 0.000 0.896 222 T HN 0.655 nan 8.240 nan 0.000 0.515 223 T N 2.516 117.089 114.554 0.031 0.000 2.786 223 T HA 0.447 4.797 4.350 -0.000 0.000 0.316 223 T C -2.188 172.353 174.700 -0.265 0.000 1.503 223 T CA -0.756 61.290 62.100 -0.089 0.000 1.019 223 T CB 1.905 70.709 68.868 -0.108 0.000 1.415 223 T HN 0.641 nan 8.240 nan 0.000 0.496 224 E N 1.310 121.371 120.200 -0.232 0.000 2.265 224 E HA 0.430 4.780 4.350 -0.000 0.000 0.262 224 E C -1.449 175.075 176.600 -0.126 0.000 0.889 224 E CA -0.564 55.690 56.400 -0.244 0.000 0.789 224 E CB 0.988 30.622 29.700 -0.110 0.000 1.221 224 E HN 0.752 nan 8.360 nan 0.000 0.414 225 H N 1.750 120.597 119.070 -0.371 0.000 2.572 225 H HA 0.571 5.127 4.556 -0.000 0.000 0.359 225 H C -0.857 174.172 175.328 -0.498 0.000 1.134 225 H CA -1.350 54.479 56.048 -0.365 0.000 1.187 225 H CB 2.186 31.788 29.762 -0.266 0.000 1.597 225 H HN 0.140 nan 8.280 nan 0.000 0.524 226 V N 2.389 122.053 119.914 -0.417 0.000 2.656 226 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 226 V C -0.201 175.708 176.094 -0.308 0.000 1.051 226 V CA -0.593 61.344 62.300 -0.604 0.000 0.893 226 V CB 2.021 33.152 31.823 -1.154 0.000 0.999 226 V HN 0.835 nan 8.190 nan 0.000 0.426 227 T N 3.538 117.964 114.554 -0.212 0.000 2.879 227 T HA 0.772 5.122 4.350 -0.000 0.000 0.290 227 T C -0.378 174.287 174.700 -0.059 0.000 0.993 227 T CA -0.272 61.771 62.100 -0.096 0.000 0.975 227 T CB 1.646 70.498 68.868 -0.027 0.000 0.981 227 T HN 1.015 nan 8.240 nan 0.000 0.439 228 A N 2.488 125.306 122.820 -0.005 0.000 2.380 228 A HA 0.973 5.293 4.320 -0.000 0.000 0.315 228 A C -0.256 177.359 177.584 0.051 0.000 1.101 228 A CA -0.811 51.216 52.037 -0.017 0.000 0.771 228 A CB 1.513 20.509 19.000 -0.007 0.000 1.287 228 A HN 0.992 nan 8.150 nan 0.000 0.436 229 S N 0.058 115.700 115.700 -0.097 0.000 2.541 229 S HA 0.858 5.328 4.470 -0.000 0.000 0.271 229 S C -1.285 173.200 174.600 -0.191 0.000 1.133 229 S CA -0.498 57.705 58.200 0.004 0.000 0.876 229 S CB 0.872 64.091 63.200 0.032 0.000 1.105 229 S HN 0.715 nan 8.310 nan 0.000 0.470 230 Y N -0.030 120.324 120.300 0.089 0.000 2.944 230 Y HA 0.514 5.064 4.550 -0.000 0.000 0.312 230 Y C -0.323 175.606 175.900 0.048 0.000 1.417 230 Y CA -1.111 57.031 58.100 0.070 0.000 1.105 230 Y CB 0.504 39.019 38.460 0.092 0.000 1.364 230 Y HN 0.567 nan 8.280 nan 0.000 0.540 231 D N 1.147 121.689 120.400 0.237 0.000 2.343 231 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 231 D C -0.273 176.090 176.300 0.105 0.000 1.187 231 D CA 0.473 54.548 54.000 0.125 0.000 0.875 231 D CB 0.161 41.014 40.800 0.089 0.000 1.136 231 D HN 0.637 nan 8.370 nan 0.000 0.469 232 N N -0.075 118.669 118.700 0.073 0.000 2.713 232 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 232 N C -0.962 174.583 175.510 0.058 0.000 1.117 232 N CA 0.251 53.329 53.050 0.047 0.000 0.770 232 N CB -0.389 38.114 38.487 0.027 0.000 1.137 232 N HN 0.144 nan 8.380 nan 0.000 0.566 233 V N -0.706 119.276 119.914 0.113 0.000 2.971 233 V HA 0.929 5.049 4.120 -0.000 0.000 0.309 233 V C -0.391 175.828 176.094 0.208 0.000 1.130 233 V CA -0.448 61.919 62.300 0.111 0.000 0.964 233 V CB 2.099 33.977 31.823 0.092 0.000 1.029 233 V HN 0.187 nan 8.190 nan 0.000 0.427 234 A N 2.648 125.540 122.820 0.120 0.000 2.609 234 A HA 0.962 5.282 4.320 -0.000 0.000 0.291 234 A C -2.240 175.300 177.584 -0.074 0.000 1.096 234 A CA -0.521 51.646 52.037 0.217 0.000 0.684 234 A CB 1.846 21.050 19.000 0.339 0.000 1.282 234 A HN 0.756 nan 8.150 nan 0.000 0.412 235 Y N -0.886 119.376 120.300 -0.063 0.000 2.562 235 Y HA 0.718 5.268 4.550 -0.000 0.000 0.345 235 Y C -0.624 174.932 175.900 -0.573 0.000 1.045 235 Y CA -0.686 57.121 58.100 -0.488 0.000 1.028 235 Y CB 2.541 40.729 38.460 -0.453 0.000 1.297 235 Y HN 0.703 nan 8.280 nan 0.000 0.463 236 L N 3.640 124.385 121.223 -0.797 0.000 2.555 236 L HA 0.529 4.869 4.340 -0.000 0.000 0.264 236 L C -2.065 174.377 176.870 -0.713 0.000 0.972 236 L CA -0.384 54.099 54.840 -0.594 0.000 0.876 236 L CB 0.707 42.481 42.059 -0.476 0.000 1.216 236 L HN 0.569 nan 8.230 nan 0.000 0.415 237 F N 3.216 122.920 119.950 -0.409 0.000 2.415 237 F HA 0.300 4.827 4.527 -0.000 0.000 0.348 237 F C 1.247 176.807 175.800 -0.399 0.000 1.119 237 F CA -0.607 57.168 58.000 -0.374 0.000 1.069 237 F CB 1.286 40.039 39.000 -0.412 0.000 1.124 237 F HN 0.487 nan 8.300 nan 0.000 0.472 238 D N 0.177 120.456 120.400 -0.202 0.000 2.368 238 D HA 0.116 4.755 4.640 -0.000 0.000 0.218 238 D C 0.156 176.389 176.300 -0.112 0.000 1.112 238 D CA 0.274 54.065 54.000 -0.349 0.000 0.834 238 D CB 0.399 40.952 40.800 -0.410 0.000 0.953 238 D HN 0.467 nan 8.370 nan 0.000 0.505 239 S N -1.405 114.233 115.700 -0.102 0.000 2.660 239 S HA 0.293 4.763 4.470 -0.000 0.000 0.264 239 S C -0.699 173.762 174.600 -0.231 0.000 1.131 239 S CA -0.858 57.216 58.200 -0.210 0.000 0.846 239 S CB -0.471 62.687 63.200 -0.071 0.000 1.151 239 S HN -0.082 nan 8.310 nan 0.000 0.486 240 F N 1.259 121.222 119.950 0.021 0.000 2.797 240 F HA 0.203 4.730 4.527 -0.000 0.000 0.302 240 F C 2.509 178.245 175.800 -0.106 0.000 1.130 240 F CA 0.642 58.538 58.000 -0.173 0.000 1.387 240 F CB 0.515 39.374 39.000 -0.235 0.000 1.107 240 F HN 0.872 nan 8.300 nan 0.000 0.577 241 T N -3.324 111.297 114.554 0.112 0.000 2.969 241 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 241 T C 0.585 175.356 174.700 0.119 0.000 1.021 241 T CA 0.083 62.243 62.100 0.100 0.000 1.003 241 T CB 0.252 69.164 68.868 0.073 0.000 1.040 241 T HN 0.138 nan 8.240 nan 0.000 0.492 242 Q N -0.487 119.392 119.800 0.132 0.000 2.484 242 Q HA 0.717 5.057 4.340 -0.000 0.000 0.285 242 Q C -0.805 175.307 176.000 0.187 0.000 1.097 242 Q CA -1.087 54.786 55.803 0.118 0.000 0.802 242 Q CB 2.413 31.168 28.738 0.029 0.000 1.444 242 Q HN 0.527 nan 8.270 nan 0.000 0.429 243 G N 0.509 109.318 108.800 0.014 0.000 2.356 243 G HA2 0.350 4.310 3.960 -0.000 0.000 0.294 243 G HA3 0.350 4.310 3.960 -0.000 0.000 0.294 243 G C -1.737 172.886 174.900 -0.463 0.000 1.423 243 G CA -0.711 44.229 45.100 -0.267 0.000 0.806 243 G HN 0.340 nan 8.290 nan 0.000 0.527 247 R N 1.002 121.521 120.500 0.032 0.000 2.663 247 R HA 0.460 4.800 4.340 -0.000 0.000 0.267 247 R C -0.237 176.062 176.300 -0.002 0.000 1.038 247 R CA -0.662 55.431 56.100 -0.011 0.000 0.886 247 R CB 1.494 31.757 30.300 -0.061 0.000 1.249 247 R HN 0.207 nan 8.270 nan 0.000 0.463 248 D N 1.293 121.689 120.400 -0.006 0.000 2.811 248 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 248 D C -0.361 175.934 176.300 -0.009 0.000 1.157 248 D CA 1.737 55.732 54.000 -0.008 0.000 0.716 248 D CB -0.881 39.913 40.800 -0.009 0.000 1.077 248 D HN 0.904 nan 8.370 nan 0.000 0.428 249 N N -0.084 118.608 118.700 -0.012 0.000 2.727 249 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 249 N C -0.577 174.928 175.510 -0.008 0.000 1.048 249 N CA 1.664 54.698 53.050 -0.028 0.000 0.714 249 N CB -0.475 37.989 38.487 -0.038 0.000 0.959 249 N HN 0.764 nan 8.380 nan 0.000 0.544 250 Q N -0.207 119.609 119.800 0.027 0.000 2.389 250 Q HA 0.377 4.717 4.340 -0.000 0.000 0.277 250 Q C -1.442 174.630 176.000 0.119 0.000 1.082 250 Q CA -0.795 55.034 55.803 0.044 0.000 0.810 250 Q CB 1.368 30.114 28.738 0.014 0.000 1.374 250 Q HN 0.362 nan 8.270 nan 0.000 0.422 251 E N 1.803 122.086 120.200 0.138 0.000 2.151 251 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 251 E C -1.438 175.150 176.600 -0.020 0.000 0.936 251 E CA -0.354 56.141 56.400 0.159 0.000 0.777 251 E CB 1.299 31.163 29.700 0.274 0.000 1.108 251 E HN 0.610 nan 8.360 nan 0.000 0.401 252 S N 3.868 119.486 115.700 -0.136 0.000 2.634 252 S HA 0.525 4.995 4.470 -0.000 0.000 0.296 252 S C -0.579 173.898 174.600 -0.204 0.000 1.104 252 S CA -1.124 56.998 58.200 -0.131 0.000 0.920 252 S CB 1.715 64.853 63.200 -0.104 0.000 1.111 252 S HN 0.616 nan 8.310 nan 0.000 0.493 253 R N 0.843 121.258 120.500 -0.142 0.000 2.368 253 R HA 0.661 5.001 4.340 -0.000 0.000 0.302 253 R C -1.026 175.206 176.300 -0.114 0.000 1.002 253 R CA -0.666 55.345 56.100 -0.149 0.000 0.929 253 R CB 1.014 31.260 30.300 -0.089 0.000 1.073 253 R HN 0.755 nan 8.270 nan 0.000 0.464 254 V N 0.986 120.819 119.914 -0.135 0.000 2.487 254 V HA 0.941 5.061 4.120 -0.000 0.000 0.298 254 V C -0.595 175.533 176.094 0.056 0.000 1.028 254 V CA -0.711 61.555 62.300 -0.057 0.000 0.860 254 V CB 1.143 32.819 31.823 -0.245 0.000 0.991 254 V HN 0.966 nan 8.190 nan 0.000 0.427 255 A N 4.034 126.926 122.820 0.121 0.000 2.569 255 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 255 A C -1.276 176.399 177.584 0.151 0.000 1.136 255 A CA -0.882 51.235 52.037 0.133 0.000 0.710 255 A CB 1.752 20.798 19.000 0.077 0.000 1.303 255 A HN 1.123 nan 8.150 nan 0.000 0.413 256 L N 0.911 122.208 121.223 0.123 0.000 2.371 256 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 256 L C 0.680 177.602 176.870 0.087 0.000 1.124 256 L CA 0.094 54.995 54.840 0.101 0.000 0.816 256 L CB 0.408 42.513 42.059 0.076 0.000 1.129 256 L HN 0.714 nan 8.230 nan 0.000 0.448 257 K N 2.080 122.532 120.400 0.086 0.000 2.494 257 K HA -0.085 4.235 4.320 -0.000 0.000 0.273 257 K C -0.394 176.267 176.600 0.103 0.000 0.970 257 K CA 0.205 56.547 56.287 0.091 0.000 0.963 257 K CB 0.223 32.775 32.500 0.086 0.000 0.913 257 K HN 0.658 nan 8.250 nan 0.000 0.502 258 D N 0.166 120.644 120.400 0.130 0.000 2.357 258 D HA -0.009 4.631 4.640 -0.000 0.000 0.242 258 D C -0.325 176.139 176.300 0.274 0.000 1.153 258 D CA 0.453 54.542 54.000 0.149 0.000 0.918 258 D CB 0.316 41.232 40.800 0.194 0.000 1.181 258 D HN 0.543 nan 8.370 nan 0.000 0.435 259 W N -0.341 120.966 121.300 0.010 0.000 2.560 259 W HA -0.246 4.414 4.660 -0.000 0.000 0.279 259 W C 0.077 176.598 176.519 0.003 0.000 1.090 259 W CA 0.599 57.947 57.345 0.005 0.000 0.535 259 W CB -2.434 27.026 29.460 -0.000 0.000 2.121 259 W HN 0.247 nan 8.180 nan 0.000 1.314 260 T N 2.157 116.788 114.554 0.128 0.000 2.779 260 T HA 0.283 4.633 4.350 -0.000 0.000 0.296 260 T C -0.474 174.254 174.700 0.047 0.000 0.938 260 T CA -0.801 61.351 62.100 0.088 0.000 1.119 260 T CB 0.766 69.671 68.868 0.062 0.000 0.891 260 T HN -0.097 nan 8.240 nan 0.000 0.526 264 A N 0.841 123.700 122.820 0.064 0.000 1.898 264 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 264 A C 2.335 179.922 177.584 0.004 0.000 1.181 264 A CA 2.215 54.283 52.037 0.052 0.000 0.620 264 A CB -0.504 18.521 19.000 0.042 0.000 0.819 264 A HN 0.539 nan 8.150 nan 0.000 0.442 265 S N 0.274 115.971 115.700 -0.005 0.000 2.383 265 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 265 S C 1.445 175.936 174.600 -0.183 0.000 1.030 265 S CA 1.522 59.696 58.200 -0.044 0.000 1.002 265 S CB -0.453 62.757 63.200 0.017 0.000 0.829 265 S HN 0.576 nan 8.310 nan 0.000 0.467 266 K N 1.156 121.440 120.400 -0.193 0.000 2.589 266 K HA 0.247 4.567 4.320 -0.000 0.000 0.204 266 K C 1.197 177.505 176.600 -0.487 0.000 1.029 266 K CA 0.324 56.324 56.287 -0.478 0.000 1.177 266 K CB -0.589 31.821 32.500 -0.151 0.000 0.902 266 K HN 0.593 nan 8.250 nan 0.000 0.501 267 G N 1.022 109.648 108.800 -0.289 0.000 2.186 267 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.266 267 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.266 267 G C 0.635 175.406 174.900 -0.216 0.000 0.982 267 G CA 0.316 45.290 45.100 -0.210 0.000 0.670 267 G HN 0.364 nan 8.290 nan 0.000 0.533 268 F N 0.878 120.762 119.950 -0.110 0.000 2.146 268 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 268 F C 2.516 178.286 175.800 -0.050 0.000 1.096 268 F CA 1.834 59.757 58.000 -0.128 0.000 1.275 268 F CB -0.220 38.646 39.000 -0.223 0.000 1.008 268 F HN 0.180 nan 8.300 nan 0.000 0.480 269 D N 0.473 120.982 120.400 0.181 0.000 2.097 269 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 269 D C 1.458 177.866 176.300 0.180 0.000 0.989 269 D CA 1.194 55.325 54.000 0.219 0.000 0.827 269 D CB -0.645 40.263 40.800 0.180 0.000 0.966 269 D HN 0.197 nan 8.370 nan 0.000 0.456 273 Q N 1.910 121.659 119.800 -0.085 0.000 2.016 273 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 273 Q C 1.653 177.588 176.000 -0.109 0.000 0.978 273 Q CA 2.930 58.714 55.803 -0.031 0.000 0.833 273 Q CB -0.392 28.489 28.738 0.239 0.000 0.895 273 Q HN 0.646 nan 8.270 nan 0.000 0.427 274 D N -0.583 119.774 120.400 -0.071 0.000 2.123 274 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 274 D C 1.533 177.731 176.300 -0.171 0.000 0.992 274 D CA 1.642 55.626 54.000 -0.026 0.000 0.833 274 D CB -0.512 40.351 40.800 0.104 0.000 0.954 274 D HN 0.588 nan 8.370 nan 0.000 0.455 275 W N 0.965 121.909 121.300 -0.593 0.000 2.354 275 W HA -0.193 4.467 4.660 -0.000 0.000 0.315 275 W C 1.648 177.876 176.519 -0.486 0.000 1.206 275 W CA 0.613 57.448 57.345 -0.849 0.000 1.290 275 W CB -0.506 28.457 29.460 -0.829 0.000 1.152 275 W HN 0.016 nan 8.180 nan 0.000 0.489 276 L N 1.039 121.744 121.223 -0.864 0.000 2.079 276 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 276 L C 2.857 179.355 176.870 -0.621 0.000 1.081 276 L CA 1.713 55.976 54.840 -0.962 0.000 0.752 276 L CB -0.949 40.620 42.059 -0.817 0.000 0.896 276 L HN 0.142 nan 8.230 nan 0.000 0.433 277 Q N -0.741 118.828 119.800 -0.385 0.000 2.079 277 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 277 Q C 2.384 178.257 176.000 -0.211 0.000 0.974 277 Q CA 1.334 57.006 55.803 -0.220 0.000 0.840 277 Q CB -0.230 28.451 28.738 -0.095 0.000 0.898 277 Q HN 0.344 nan 8.270 nan 0.000 0.430 278 V N 1.233 121.017 119.914 -0.217 0.000 2.287 278 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 278 V C 2.297 178.267 176.094 -0.208 0.000 1.053 278 V CA 2.018 64.254 62.300 -0.107 0.000 1.027 278 V CB -0.968 30.884 31.823 0.049 0.000 0.646 278 V HN 0.422 nan 8.190 nan 0.000 0.447 279 A N -0.196 122.298 122.820 -0.543 0.000 1.898 279 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 279 A C 2.346 179.724 177.584 -0.344 0.000 1.181 279 A CA 1.822 53.513 52.037 -0.576 0.000 0.620 279 A CB -0.748 17.535 19.000 -1.195 0.000 0.819 279 A HN 0.589 nan 8.150 nan 0.000 0.442 280 A N -0.801 121.812 122.820 -0.346 0.000 2.121 280 A HA 0.320 4.640 4.320 -0.000 0.000 0.218 280 A C 2.055 179.563 177.584 -0.127 0.000 1.154 280 A CA 1.635 53.544 52.037 -0.213 0.000 0.679 280 A CB -0.489 18.390 19.000 -0.202 0.000 0.795 280 A HN 1.028 nan 8.150 nan 0.000 0.458 281 A N -2.045 120.708 122.820 -0.111 0.000 2.303 281 A HA 0.451 4.771 4.320 -0.000 0.000 0.217 281 A C 1.751 179.320 177.584 -0.025 0.000 1.205 281 A CA 1.030 53.036 52.037 -0.051 0.000 0.875 281 A CB -0.652 18.330 19.000 -0.029 0.000 0.910 281 A HN 1.693 nan 8.150 nan 0.000 0.501 282 G N -0.063 108.715 108.800 -0.037 0.000 2.212 282 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 282 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 282 G C 0.144 175.073 174.900 0.048 0.000 1.002 282 G CA 1.188 46.292 45.100 0.008 0.000 0.729 282 G HN 0.612 nan 8.290 nan 0.000 0.517 283 K N -1.209 119.222 120.400 0.052 0.000 2.435 283 K HA 0.748 5.068 4.320 -0.000 0.000 0.251 283 K C -1.302 175.370 176.600 0.121 0.000 0.954 283 K CA -1.155 55.182 56.287 0.084 0.000 0.820 283 K CB 2.498 35.036 32.500 0.063 0.000 1.292 283 K HN 0.238 nan 8.250 nan 0.000 0.436 284 L N 3.398 124.708 121.223 0.146 0.000 2.504 284 L HA 0.372 4.712 4.340 -0.000 0.000 0.265 284 L C -2.604 174.336 176.870 0.118 0.000 0.975 284 L CA -1.672 53.275 54.840 0.178 0.000 0.864 284 L CB 1.184 43.395 42.059 0.253 0.000 1.212 284 L HN 0.428 nan 8.230 nan 0.000 0.416 285 P HA -0.012 nan 4.420 nan 0.000 0.263 285 P C 0.512 177.794 177.300 -0.030 0.000 1.168 285 P CA 0.276 63.413 63.100 0.060 0.000 0.759 285 P CB 0.443 32.207 31.700 0.106 0.000 0.782 286 T N 1.672 116.264 114.554 0.062 0.000 2.720 286 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 286 T C 1.684 176.383 174.700 -0.002 0.000 1.037 286 T CA 1.952 64.075 62.100 0.039 0.000 1.144 286 T CB -0.799 68.116 68.868 0.078 0.000 0.864 286 T HN 0.667 nan 8.240 nan 0.000 0.444 287 H N 0.911 119.990 119.070 0.014 0.000 2.421 287 H HA 0.044 4.600 4.556 -0.000 0.000 0.298 287 H C 2.158 177.477 175.328 -0.014 0.000 1.087 287 H CA 1.093 57.140 56.048 -0.001 0.000 1.330 287 H CB -0.774 28.995 29.762 0.011 0.000 1.388 287 H HN 0.378 nan 8.280 nan 0.000 0.526 288 I N 0.808 121.003 120.570 -0.625 0.000 2.286 288 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 288 I C 2.659 178.651 176.117 -0.209 0.000 1.104 288 I CA 0.804 61.874 61.300 -0.383 0.000 1.397 288 I CB -0.176 37.612 38.000 -0.353 0.000 1.072 288 I HN 0.128 nan 8.210 nan 0.000 0.417 289 I N 0.888 121.342 120.570 -0.193 0.000 2.179 289 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 289 I C 2.453 178.362 176.117 -0.347 0.000 1.088 289 I CA 1.532 62.653 61.300 -0.298 0.000 1.357 289 I CB -0.435 37.416 38.000 -0.248 0.000 1.051 289 I HN 0.249 nan 8.210 nan 0.000 0.409 290 E N 0.421 120.499 120.200 -0.203 0.000 2.153 290 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 290 E C 2.221 178.745 176.600 -0.126 0.000 0.988 290 E CA 0.921 57.232 56.400 -0.147 0.000 0.811 290 E CB -0.191 29.469 29.700 -0.066 0.000 0.746 290 E HN 0.432 nan 8.360 nan 0.000 0.466 291 R N 1.045 121.471 120.500 -0.123 0.000 2.066 291 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 291 R C 2.024 178.238 176.300 -0.144 0.000 1.131 291 R CA 1.334 57.359 56.100 -0.126 0.000 0.955 291 R CB 0.034 30.255 30.300 -0.132 0.000 0.851 291 R HN 0.085 nan 8.270 nan 0.000 0.432 292 N N 0.934 119.568 118.700 -0.109 0.000 2.043 292 N HA -0.210 4.530 4.740 -0.000 0.000 0.193 292 N C 1.976 177.576 175.510 0.150 0.000 1.037 292 N CA 1.526 54.616 53.050 0.067 0.000 0.851 292 N CB -0.403 38.151 38.487 0.112 0.000 1.027 292 N HN 0.224 nan 8.380 nan 0.000 0.422 293 L N 1.144 122.334 121.223 -0.055 0.000 1.989 293 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 293 L C 2.568 179.449 176.870 0.018 0.000 1.071 293 L CA 1.508 56.337 54.840 -0.018 0.000 0.749 293 L CB -0.558 41.410 42.059 -0.152 0.000 0.890 293 L HN 0.143 nan 8.230 nan 0.000 0.431 294 A N -0.843 121.945 122.820 -0.053 0.000 1.873 294 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 294 A C 2.463 179.984 177.584 -0.104 0.000 1.193 294 A CA 2.358 54.350 52.037 -0.075 0.000 0.629 294 A CB -0.851 18.095 19.000 -0.090 0.000 0.826 294 A HN 0.426 nan 8.150 nan 0.000 0.447 295 S N -0.881 114.722 115.700 -0.160 0.000 2.383 295 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 295 S C 1.775 176.203 174.600 -0.286 0.000 1.030 295 S CA 1.794 59.830 58.200 -0.274 0.000 1.002 295 S CB -0.540 62.390 63.200 -0.449 0.000 0.829 295 S HN 0.804 nan 8.310 nan 0.000 0.467 296 H N 1.177 120.205 119.070 -0.070 0.000 2.395 296 H HA 0.044 4.600 4.556 -0.000 0.000 0.299 296 H C 2.418 177.737 175.328 -0.015 0.000 1.070 296 H CA 1.300 57.324 56.048 -0.039 0.000 1.356 296 H CB -0.077 29.743 29.762 0.097 0.000 1.401 296 H HN 0.411 nan 8.280 nan 0.000 0.524 297 Q N 0.032 119.889 119.800 0.096 0.000 2.167 297 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 297 Q C 2.169 178.164 176.000 -0.008 0.000 0.970 297 Q CA 0.703 56.541 55.803 0.059 0.000 0.855 297 Q CB 0.113 28.865 28.738 0.024 0.000 0.911 297 Q HN 0.465 nan 8.270 nan 0.000 0.438 298 L N 0.095 121.272 121.223 -0.078 0.000 2.056 298 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 298 L C 2.272 179.084 176.870 -0.096 0.000 1.078 298 L CA 1.012 55.781 54.840 -0.118 0.000 0.749 298 L CB -0.382 41.570 42.059 -0.178 0.000 0.901 298 L HN 0.243 nan 8.230 nan 0.000 0.433 299 A N -0.683 122.034 122.820 -0.171 0.000 1.902 299 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 299 A C 2.115 179.664 177.584 -0.059 0.000 1.181 299 A CA 1.468 53.334 52.037 -0.285 0.000 0.623 299 A CB -0.437 18.030 19.000 -0.889 0.000 0.818 299 A HN 0.381 nan 8.150 nan 0.000 0.443 300 E N 0.003 120.271 120.200 0.113 0.000 2.038 300 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 300 E C 2.405 179.077 176.600 0.119 0.000 1.000 300 E CA 1.358 57.924 56.400 0.277 0.000 0.803 300 E CB -0.614 29.233 29.700 0.244 0.000 0.750 300 E HN 0.516 nan 8.360 nan 0.000 0.448 301 A N 1.012 123.859 122.820 0.045 0.000 1.908 301 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 301 A C 2.380 179.960 177.584 -0.008 0.000 1.181 301 A CA 1.482 53.522 52.037 0.005 0.000 0.627 301 A CB -0.706 18.276 19.000 -0.030 0.000 0.818 301 A HN 0.247 nan 8.150 nan 0.000 0.445 302 I N -1.075 119.486 120.570 -0.014 0.000 2.252 302 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 302 I C 2.567 178.647 176.117 -0.060 0.000 1.102 302 I CA 1.013 62.287 61.300 -0.043 0.000 1.385 302 I CB -0.465 37.505 38.000 -0.049 0.000 1.064 302 I HN 0.397 nan 8.210 nan 0.000 0.414 303 C N 0.157 119.461 119.300 0.007 0.000 2.462 303 C HA -0.171 4.289 4.460 -0.000 0.000 0.278 303 C C 2.108 177.080 174.990 -0.029 0.000 1.253 303 C CA 0.647 59.670 59.018 0.008 0.000 1.713 303 C CB -0.951 26.875 27.740 0.144 0.000 2.049 303 C HN 0.459 nan 8.230 nan 0.000 0.477 304 Q N 0.227 120.030 119.800 0.004 0.000 2.600 304 Q HA -0.002 4.338 4.340 -0.000 0.000 0.276 304 Q C 1.118 177.103 176.000 -0.025 0.000 1.006 304 Q CA 0.265 56.062 55.803 -0.011 0.000 0.942 304 Q CB 0.071 28.814 28.738 0.008 0.000 1.383 304 Q HN 0.632 nan 8.270 nan 0.000 0.414 305 Q N -0.805 118.964 119.800 -0.052 0.000 2.452 305 Q HA 0.098 4.438 4.340 -0.000 0.000 0.190 305 Q C 1.097 177.049 176.000 -0.080 0.000 0.710 305 Q CA 0.242 56.019 55.803 -0.044 0.000 0.917 305 Q CB -0.005 28.713 28.738 -0.033 0.000 1.282 305 Q HN 0.385 nan 8.270 nan 0.000 0.447 306 I N 0.789 121.240 120.570 -0.197 0.000 2.193 306 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 306 I C 1.709 177.672 176.117 -0.257 0.000 1.084 306 I CA 1.665 62.715 61.300 -0.416 0.000 1.365 306 I CB -0.390 37.185 38.000 -0.709 0.000 1.064 306 I HN 0.205 nan 8.210 nan 0.000 0.410 307 T N 0.329 114.773 114.554 -0.183 0.000 2.665 307 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 307 T C 1.864 176.519 174.700 -0.075 0.000 1.035 307 T CA 1.598 63.627 62.100 -0.118 0.000 1.151 307 T CB -0.324 68.495 68.868 -0.082 0.000 0.862 307 T HN 0.391 nan 8.240 nan 0.000 0.438 308 Q N 0.716 120.482 119.800 -0.057 0.000 1.993 308 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 308 Q C 2.433 178.423 176.000 -0.016 0.000 0.984 308 Q CA 1.634 57.419 55.803 -0.030 0.000 0.837 308 Q CB -0.201 28.525 28.738 -0.019 0.000 0.902 308 Q HN 0.610 nan 8.270 nan 0.000 0.423 309 Q N -0.436 119.364 119.800 -0.002 0.000 2.030 309 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 309 Q C 2.284 178.305 176.000 0.036 0.000 0.986 309 Q CA 1.942 57.769 55.803 0.041 0.000 0.843 309 Q CB -0.128 28.685 28.738 0.124 0.000 0.904 309 Q HN 0.251 nan 8.270 nan 0.000 0.420 310 V N 1.114 121.036 119.914 0.013 0.000 2.278 310 V HA -0.250 3.869 4.120 -0.000 0.000 0.251 310 V C 1.741 177.829 176.094 -0.010 0.000 1.062 310 V CA 2.000 64.299 62.300 -0.000 0.000 1.038 310 V CB -1.094 30.689 31.823 -0.065 0.000 0.646 310 V HN 0.575 nan 8.190 nan 0.000 0.447 311 T N -0.953 113.588 114.554 -0.021 0.000 4.508 311 T HA 0.405 4.755 4.350 -0.000 0.000 0.232 311 T C -0.208 174.487 174.700 -0.008 0.000 1.027 311 T CA -0.013 62.077 62.100 -0.018 0.000 0.999 311 T CB -0.265 68.589 68.868 -0.023 0.000 1.402 311 T HN 0.503 nan 8.240 nan 0.000 1.003 312 K N 0.000 120.399 120.400 -0.002 0.000 2.780 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 312 K CA 0.000 56.287 56.287 0.001 0.000 0.838 312 K CB 0.000 32.503 32.500 0.005 0.000 1.064 312 K HN 0.000 nan 8.250 nan 0.000 0.543