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 2woe_1_C DATA FIRST_RESID 3 DATA SEQUENCE GPSVHDRALG AFLGLAVGDA LGATVEFMTK GEIAQQYGIH RKMTGGGWLR DATA SEQUENCE LKPGQITDDT EMSLALGRSL AAKGTLDVAD ICEEFALWLK SRPVNVGNTC DATA SEQUENCE RRGIRRYMHE GTTTAPYSEG DAGNGAAMRC LPAALATLGH PADLEPWVLA DATA SEQUENCE QARITHNHPL SDAACLTLGR MVHHLIGGRG MKACREEANR LVHQHRDFHF DATA SEQUENCE EPYKGQSSAY IVDTMQTVLH YYFVTDTFKS CLIQTVNQGG DADTTGALAG DATA SEQUENCE MLAGATYGVD DIPSGWLSKL DMKVEREIRR QVDALLALAG L 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.920 174.900 0.033 0.000 0.946 3 G CA 0.000 45.121 45.100 0.036 0.000 0.502 4 P HA 0.434 nan 4.420 nan 0.000 0.272 4 P C 0.537 177.856 177.300 0.032 0.000 1.240 4 P CA -0.164 62.958 63.100 0.036 0.000 0.791 4 P CB 0.975 32.700 31.700 0.041 0.000 0.978 5 S N -0.363 115.359 115.700 0.038 0.000 2.608 5 S HA 0.081 4.550 4.470 -0.000 0.000 0.261 5 S C 1.381 176.008 174.600 0.045 0.000 1.314 5 S CA -0.593 57.633 58.200 0.044 0.000 0.992 5 S CB 0.199 63.435 63.200 0.061 0.000 0.935 5 S HN 0.214 nan 8.310 nan 0.000 0.564 6 V N 1.297 121.239 119.914 0.046 0.000 2.343 6 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 6 V C 2.563 178.695 176.094 0.063 0.000 1.051 6 V CA 2.277 64.599 62.300 0.037 0.000 1.036 6 V CB -1.389 30.449 31.823 0.025 0.000 0.654 6 V HN 1.018 nan 8.190 nan 0.000 0.451 7 H N -0.109 118.961 119.070 0.001 0.000 2.353 7 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 7 H C 2.075 177.410 175.328 0.012 0.000 1.090 7 H CA 1.955 58.008 56.048 0.008 0.000 1.327 7 H CB 0.107 29.872 29.762 0.006 0.000 1.383 7 H HN 0.402 nan 8.280 nan 0.000 0.508 8 D N -0.004 120.417 120.400 0.034 0.000 2.178 8 D HA -0.068 4.572 4.640 -0.000 0.000 0.202 8 D C 2.455 178.735 176.300 -0.034 0.000 0.974 8 D CA 0.606 54.597 54.000 -0.015 0.000 0.841 8 D CB -0.089 40.730 40.800 0.032 0.000 0.953 8 D HN 0.387 nan 8.370 nan 0.000 0.478 9 R N 0.458 120.949 120.500 -0.016 0.000 2.073 9 R HA 0.084 4.424 4.340 -0.000 0.000 0.229 9 R C 2.252 178.536 176.300 -0.027 0.000 1.120 9 R CA 1.076 57.169 56.100 -0.012 0.000 0.967 9 R CB -0.182 30.114 30.300 -0.006 0.000 0.862 9 R HN 0.064 nan 8.270 nan 0.000 0.436 10 A N 1.207 123.997 122.820 -0.050 0.000 1.902 10 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 10 A C 2.033 179.591 177.584 -0.042 0.000 1.181 10 A CA 1.091 53.100 52.037 -0.048 0.000 0.623 10 A CB -0.437 18.529 19.000 -0.057 0.000 0.818 10 A HN 0.155 nan 8.150 nan 0.000 0.443 11 L N 0.019 121.156 121.223 -0.144 0.000 2.056 11 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 11 L C 2.545 179.395 176.870 -0.033 0.000 1.078 11 L CA 2.026 56.789 54.840 -0.128 0.000 0.749 11 L CB -1.289 40.619 42.059 -0.252 0.000 0.901 11 L HN 0.354 nan 8.230 nan 0.000 0.433 12 G N -1.183 107.594 108.800 -0.038 0.000 2.440 12 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 12 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 12 G C 1.635 176.569 174.900 0.058 0.000 1.154 12 G CA 0.973 46.064 45.100 -0.015 0.000 0.767 12 G HN 0.587 nan 8.290 nan 0.000 0.552 13 A N 0.037 122.891 122.820 0.057 0.000 1.877 13 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 13 A C 2.273 179.926 177.584 0.115 0.000 1.186 13 A CA 1.472 53.543 52.037 0.057 0.000 0.620 13 A CB -0.549 18.442 19.000 -0.014 0.000 0.822 13 A HN 0.408 nan 8.150 nan 0.000 0.443 14 F N -0.294 119.644 119.950 -0.021 0.000 2.149 14 F HA 0.007 4.534 4.527 -0.000 0.000 0.294 14 F C 2.041 177.837 175.800 -0.007 0.000 1.095 14 F CA 0.672 58.660 58.000 -0.020 0.000 1.276 14 F CB 0.057 39.038 39.000 -0.033 0.000 1.023 14 F HN 0.099 nan 8.300 nan 0.000 0.480 15 L N -0.372 120.966 121.223 0.192 0.000 2.141 15 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 15 L C 2.704 179.651 176.870 0.129 0.000 1.094 15 L CA 1.126 56.016 54.840 0.083 0.000 0.763 15 L CB -1.225 40.835 42.059 0.001 0.000 0.908 15 L HN 0.233 nan 8.230 nan 0.000 0.437 16 G N 0.290 109.191 108.800 0.168 0.000 2.421 16 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 16 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 16 G C 1.596 176.663 174.900 0.277 0.000 1.171 16 G CA 0.753 46.056 45.100 0.338 0.000 0.775 16 G HN 0.231 nan 8.290 nan 0.000 0.543 17 L N 1.262 122.596 121.223 0.184 0.000 1.990 17 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 17 L C 3.158 180.093 176.870 0.107 0.000 1.072 17 L CA 2.515 57.421 54.840 0.111 0.000 0.755 17 L CB -0.531 41.587 42.059 0.098 0.000 0.889 17 L HN 0.255 nan 8.230 nan 0.000 0.432 18 A N -1.187 121.721 122.820 0.146 0.000 1.865 18 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 18 A C 2.265 179.882 177.584 0.056 0.000 1.191 18 A CA 2.244 54.335 52.037 0.090 0.000 0.623 18 A CB -1.261 17.780 19.000 0.068 0.000 0.826 18 A HN 0.327 nan 8.150 nan 0.000 0.444 19 V N -0.072 119.897 119.914 0.091 0.000 2.287 19 V HA -0.212 3.907 4.120 -0.000 0.000 0.248 19 V C 2.822 178.888 176.094 -0.047 0.000 1.053 19 V CA 2.124 64.464 62.300 0.066 0.000 1.027 19 V CB -1.458 30.505 31.823 0.233 0.000 0.646 19 V HN 0.646 nan 8.190 nan 0.000 0.447 20 G N -0.523 108.276 108.800 -0.001 0.000 2.418 20 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 20 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 20 G C 1.376 176.213 174.900 -0.105 0.000 1.158 20 G CA 1.093 46.131 45.100 -0.104 0.000 0.771 20 G HN 0.547 nan 8.290 nan 0.000 0.545 21 D N 1.202 121.572 120.400 -0.049 0.000 2.092 21 D HA -0.063 4.577 4.640 -0.000 0.000 0.193 21 D C 2.745 179.016 176.300 -0.048 0.000 0.994 21 D CA 1.639 55.617 54.000 -0.036 0.000 0.828 21 D CB -0.570 40.227 40.800 -0.004 0.000 0.963 21 D HN 0.229 nan 8.370 nan 0.000 0.450 22 A N 0.063 122.850 122.820 -0.055 0.000 1.902 22 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 22 A C 2.281 179.807 177.584 -0.097 0.000 1.181 22 A CA 1.410 53.410 52.037 -0.061 0.000 0.623 22 A CB -0.880 18.089 19.000 -0.052 0.000 0.818 22 A HN 0.371 nan 8.150 nan 0.000 0.443 23 L N -0.011 121.097 121.223 -0.193 0.000 1.994 23 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 23 L C 2.445 179.275 176.870 -0.066 0.000 1.071 23 L CA 2.377 57.061 54.840 -0.260 0.000 0.745 23 L CB -1.013 40.697 42.059 -0.582 0.000 0.892 23 L HN 0.307 nan 8.230 nan 0.000 0.431 24 G N -1.533 107.208 108.800 -0.099 0.000 2.421 24 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.217 24 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.217 24 G C 1.604 176.484 174.900 -0.032 0.000 1.143 24 G CA 0.631 45.695 45.100 -0.061 0.000 0.784 24 G HN 0.617 nan 8.290 nan 0.000 0.541 25 A N 0.588 123.397 122.820 -0.018 0.000 1.986 25 A HA -0.067 4.252 4.320 -0.000 0.000 0.220 25 A C 2.485 180.081 177.584 0.021 0.000 1.171 25 A CA 2.402 54.450 52.037 0.017 0.000 0.640 25 A CB -0.896 18.100 19.000 -0.007 0.000 0.811 25 A HN 0.286 nan 8.150 nan 0.000 0.451 26 T N -0.500 114.028 114.554 -0.043 0.000 2.833 26 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 26 T C 1.483 176.116 174.700 -0.113 0.000 1.054 26 T CA 1.818 63.853 62.100 -0.108 0.000 1.135 26 T CB -0.345 68.356 68.868 -0.279 0.000 0.869 26 T HN 0.789 nan 8.240 nan 0.000 0.466 27 V N -1.020 118.803 119.914 -0.151 0.000 3.214 27 V HA 0.409 4.529 4.120 -0.000 0.000 0.330 27 V C 0.291 176.408 176.094 0.038 0.000 1.403 27 V CA -0.688 61.557 62.300 -0.091 0.000 1.143 27 V CB -0.360 31.317 31.823 -0.243 0.000 1.098 27 V HN 0.268 nan 8.190 nan 0.000 0.463 28 E N 0.722 120.996 120.200 0.123 0.000 2.414 28 E HA 0.177 4.526 4.350 -0.000 0.000 0.263 28 E C 0.016 176.728 176.600 0.187 0.000 1.000 28 E CA 0.161 56.622 56.400 0.102 0.000 0.914 28 E CB 0.112 29.960 29.700 0.247 0.000 0.948 28 E HN 0.468 nan 8.360 nan 0.000 0.444 29 F N 0.191 120.124 119.950 -0.027 0.000 2.794 29 F HA -0.291 4.236 4.527 -0.000 0.000 0.335 29 F C 0.304 176.075 175.800 -0.048 0.000 0.653 29 F CA 0.362 58.297 58.000 -0.108 0.000 1.266 29 F CB -1.413 37.405 39.000 -0.305 0.000 1.666 29 F HN 0.483 nan 8.300 nan 0.000 0.314 30 M N 0.459 120.128 119.600 0.115 0.000 2.423 30 M HA 0.393 4.873 4.480 -0.000 0.000 0.335 30 M C 0.804 177.141 176.300 0.060 0.000 1.177 30 M CA -0.328 55.028 55.300 0.093 0.000 1.038 30 M CB 1.615 34.276 32.600 0.103 0.000 1.641 30 M HN 0.158 nan 8.290 nan 0.000 0.455 31 T N -1.549 113.040 114.554 0.059 0.000 2.868 31 T HA 0.219 4.569 4.350 -0.000 0.000 0.292 31 T C 0.964 175.699 174.700 0.058 0.000 1.028 31 T CA -0.659 61.471 62.100 0.050 0.000 1.059 31 T CB 1.252 70.146 68.868 0.043 0.000 0.991 31 T HN 0.830 nan 8.240 nan 0.000 0.531 32 K N 1.345 121.781 120.400 0.059 0.000 2.059 32 K HA -0.162 4.158 4.320 -0.000 0.000 0.212 32 K C 2.337 178.979 176.600 0.071 0.000 1.050 32 K CA 2.048 58.377 56.287 0.070 0.000 0.927 32 K CB -1.120 31.428 32.500 0.081 0.000 0.714 32 K HN 0.839 nan 8.250 nan 0.000 0.447 33 G N 0.367 109.203 108.800 0.060 0.000 2.408 33 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 33 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 33 G C 1.106 176.041 174.900 0.057 0.000 1.150 33 G CA 0.838 45.971 45.100 0.055 0.000 0.776 33 G HN 0.450 nan 8.290 nan 0.000 0.542 34 E N -0.066 120.170 120.200 0.060 0.000 2.106 34 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 34 E C 2.457 179.115 176.600 0.095 0.000 0.984 34 E CA 0.440 56.877 56.400 0.063 0.000 0.806 34 E CB -0.097 29.641 29.700 0.063 0.000 0.750 34 E HN 0.489 nan 8.360 nan 0.000 0.458 35 I N 1.105 121.751 120.570 0.127 0.000 2.202 35 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 35 I C 2.577 178.815 176.117 0.202 0.000 1.091 35 I CA 0.886 62.315 61.300 0.214 0.000 1.368 35 I CB -0.331 37.755 38.000 0.143 0.000 1.058 35 I HN 0.074 nan 8.210 nan 0.000 0.410 36 A N 0.254 123.151 122.820 0.129 0.000 1.892 36 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 36 A C 2.295 179.928 177.584 0.082 0.000 1.188 36 A CA 2.298 54.398 52.037 0.106 0.000 0.631 36 A CB -0.806 18.242 19.000 0.080 0.000 0.822 36 A HN 0.520 nan 8.150 nan 0.000 0.447 37 Q N -1.193 118.641 119.800 0.058 0.000 2.119 37 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 37 Q C 2.204 178.195 176.000 -0.016 0.000 0.972 37 Q CA 1.797 57.613 55.803 0.023 0.000 0.847 37 Q CB -0.117 28.630 28.738 0.015 0.000 0.903 37 Q HN 0.804 nan 8.270 nan 0.000 0.433 38 Q N -1.655 118.118 119.800 -0.045 0.000 2.250 38 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 38 Q C 0.637 176.424 176.000 -0.355 0.000 0.941 38 Q CA 0.790 56.452 55.803 -0.236 0.000 0.872 38 Q CB 0.369 28.892 28.738 -0.358 0.000 0.965 38 Q HN 0.479 nan 8.270 nan 0.000 0.480 39 Y N -1.866 118.459 120.300 0.043 0.000 2.467 39 Y HA 0.292 4.842 4.550 -0.001 0.000 0.259 39 Y C 1.432 177.375 175.900 0.072 0.000 1.084 39 Y CA 0.403 58.544 58.100 0.069 0.000 1.275 39 Y CB 1.040 39.558 38.460 0.097 0.000 1.208 39 Y HN 0.268 nan 8.280 nan 0.000 0.511 40 G N 1.641 110.554 108.800 0.188 0.000 4.766 40 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.314 40 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.314 40 G C 0.035 175.025 174.900 0.151 0.000 1.427 40 G CA 0.388 45.570 45.100 0.138 0.000 1.024 40 G HN 0.149 nan 8.290 nan 0.000 0.754 41 I N 1.258 121.921 120.570 0.156 0.000 2.439 41 I HA 0.369 4.538 4.170 -0.000 0.000 0.285 41 I C -0.166 176.046 176.117 0.157 0.000 1.021 41 I CA -0.899 60.481 61.300 0.133 0.000 1.091 41 I CB 1.879 39.932 38.000 0.088 0.000 1.242 41 I HN 0.505 nan 8.210 nan 0.000 0.439 42 H N 6.669 125.742 119.070 0.006 0.000 2.899 42 H HA 0.274 4.830 4.556 -0.001 0.000 0.303 42 H C 0.230 175.522 175.328 -0.060 0.000 1.042 42 H CA 0.743 56.712 56.048 -0.131 0.000 1.479 42 H CB 0.613 30.147 29.762 -0.379 0.000 1.493 42 H HN 0.502 nan 8.280 nan 0.000 0.534 43 R N 2.652 122.945 120.500 -0.345 0.000 2.504 43 R HA 0.196 4.535 4.340 -0.000 0.000 0.341 43 R C -0.371 175.972 176.300 0.071 0.000 0.905 43 R CA -0.199 55.852 56.100 -0.082 0.000 1.133 43 R CB 0.590 30.936 30.300 0.077 0.000 1.704 43 R HN 0.450 nan 8.270 nan 0.000 0.503 44 K N 0.489 120.795 120.400 -0.156 0.000 2.443 44 K HA 0.387 4.707 4.320 -0.000 0.000 0.251 44 K C -0.526 176.023 176.600 -0.086 0.000 0.972 44 K CA -0.971 55.350 56.287 0.056 0.000 0.833 44 K CB 1.836 34.397 32.500 0.102 0.000 1.317 44 K HN -0.141 nan 8.250 nan 0.000 0.441 45 M N 2.962 122.577 119.600 0.025 0.000 2.618 45 M HA 0.033 4.513 4.480 -0.000 0.000 0.322 45 M C 0.920 177.262 176.300 0.070 0.000 1.471 45 M CA 0.476 55.781 55.300 0.009 0.000 1.450 45 M CB -0.853 31.769 32.600 0.036 0.000 1.444 45 M HN 0.722 nan 8.290 nan 0.000 0.471 46 T N -1.421 113.201 114.554 0.114 0.000 3.044 46 T HA 0.380 4.730 4.350 -0.000 0.000 0.250 46 T C 1.112 175.871 174.700 0.099 0.000 1.081 46 T CA 0.326 62.509 62.100 0.139 0.000 1.040 46 T CB 0.152 69.157 68.868 0.228 0.000 0.962 46 T HN 0.801 nan 8.240 nan 0.000 0.506 47 G N 1.005 109.845 108.800 0.067 0.000 2.601 47 G HA2 0.249 4.209 3.960 -0.000 0.000 0.252 47 G HA3 0.249 4.209 3.960 -0.000 0.000 0.252 47 G C 0.598 175.522 174.900 0.039 0.000 1.294 47 G CA -0.005 45.117 45.100 0.036 0.000 0.912 47 G HN 1.786 nan 8.290 nan 0.000 0.574 48 G N -1.527 107.286 108.800 0.021 0.000 2.528 48 G HA2 0.425 4.385 3.960 -0.000 0.000 0.262 48 G HA3 0.425 4.385 3.960 -0.000 0.000 0.262 48 G C 1.341 176.249 174.900 0.014 0.000 1.200 48 G CA 1.641 46.759 45.100 0.030 0.000 0.951 48 G HN 3.363 nan 8.290 nan 0.000 0.566 49 G N -1.865 106.975 108.800 0.067 0.000 2.741 49 G HA2 0.050 4.009 3.960 -0.000 0.000 0.222 49 G HA3 0.050 4.009 3.960 -0.000 0.000 0.222 49 G C 0.982 175.953 174.900 0.119 0.000 1.364 49 G CA 1.309 46.477 45.100 0.113 0.000 0.866 49 G HN 2.480 nan 8.290 nan 0.000 0.555 50 W N -0.782 120.552 121.300 0.058 0.000 2.425 50 W HA 0.122 4.782 4.660 0.001 0.000 0.277 50 W C 1.622 178.158 176.519 0.027 0.000 1.231 50 W CA 1.375 58.741 57.345 0.034 0.000 1.248 50 W CB -0.795 28.681 29.460 0.027 0.000 1.117 50 W HN 0.366 nan 8.180 nan 0.000 0.568 51 L N 1.472 122.233 121.223 -0.770 0.000 2.591 51 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 51 L C 0.989 177.671 176.870 -0.314 0.000 1.133 51 L CA 0.274 54.671 54.840 -0.739 0.000 0.880 51 L CB -0.487 41.058 42.059 -0.857 0.000 1.033 51 L HN -0.152 nan 8.230 nan 0.000 0.450 52 R N 0.388 120.782 120.500 -0.178 0.000 3.336 52 R HA -0.162 4.177 4.340 -0.000 0.000 0.260 52 R C -0.379 175.872 176.300 -0.083 0.000 1.032 52 R CA 0.414 56.462 56.100 -0.086 0.000 0.693 52 R CB -2.631 27.631 30.300 -0.064 0.000 1.134 52 R HN 0.338 nan 8.270 nan 0.000 0.433 53 L N 0.648 121.818 121.223 -0.089 0.000 2.466 53 L HA 0.229 4.569 4.340 -0.000 0.000 0.257 53 L C 1.107 177.958 176.870 -0.031 0.000 1.189 53 L CA -0.333 54.465 54.840 -0.069 0.000 0.813 53 L CB 0.416 42.430 42.059 -0.074 0.000 1.118 53 L HN -0.012 nan 8.230 nan 0.000 0.471 54 K N 1.279 121.666 120.400 -0.021 0.000 2.107 54 K HA 0.265 4.585 4.320 -0.000 0.000 0.251 54 K C -2.358 174.245 176.600 0.005 0.000 1.012 54 K CA -1.249 55.036 56.287 -0.003 0.000 0.920 54 K CB 0.252 32.751 32.500 -0.002 0.000 1.033 54 K HN 0.228 nan 8.250 nan 0.000 0.478 55 P HA 0.037 nan 4.420 nan 0.000 0.267 55 P C 0.278 177.590 177.300 0.020 0.000 1.205 55 P CA 0.583 63.699 63.100 0.027 0.000 0.765 55 P CB 0.664 32.388 31.700 0.040 0.000 0.828 56 G N 1.783 110.591 108.800 0.013 0.000 2.179 56 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.260 56 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.260 56 G C 0.252 175.153 174.900 0.002 0.000 0.977 56 G CA 0.008 45.113 45.100 0.009 0.000 0.641 56 G HN 0.675 nan 8.290 nan 0.000 0.533 57 Q N 0.859 120.657 119.800 -0.003 0.000 2.313 57 Q HA 0.515 4.855 4.340 -0.000 0.000 0.266 57 Q C 1.233 177.229 176.000 -0.006 0.000 0.989 57 Q CA -0.336 55.464 55.803 -0.004 0.000 0.890 57 Q CB 0.323 29.053 28.738 -0.012 0.000 1.200 57 Q HN 0.778 nan 8.270 nan 0.000 0.396 58 I N 0.522 121.096 120.570 0.006 0.000 2.970 58 I HA 0.577 4.747 4.170 -0.000 0.000 0.310 58 I C 0.282 176.416 176.117 0.028 0.000 1.010 58 I CA -0.609 60.700 61.300 0.015 0.000 1.228 58 I CB 1.493 39.508 38.000 0.025 0.000 1.433 58 I HN 0.739 nan 8.210 nan 0.000 0.573 59 T N -1.660 112.919 114.554 0.041 0.000 2.572 59 T HA 0.254 4.603 4.350 -0.000 0.000 0.244 59 T C 0.719 175.488 174.700 0.115 0.000 0.860 59 T CA 0.230 62.373 62.100 0.072 0.000 1.125 59 T CB 0.394 69.293 68.868 0.052 0.000 1.491 59 T HN 0.751 nan 8.240 nan 0.000 0.532 60 D N 0.346 120.843 120.400 0.161 0.000 2.219 60 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 60 D C 1.052 177.320 176.300 -0.053 0.000 0.970 60 D CA 1.324 55.421 54.000 0.162 0.000 0.851 60 D CB -0.887 40.104 40.800 0.318 0.000 0.943 60 D HN 0.649 nan 8.370 nan 0.000 0.488 61 D N 0.436 120.823 120.400 -0.022 0.000 2.092 61 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 61 D C 1.925 178.187 176.300 -0.063 0.000 0.994 61 D CA 2.359 56.322 54.000 -0.062 0.000 0.828 61 D CB -0.496 40.282 40.800 -0.036 0.000 0.963 61 D HN 0.203 nan 8.370 nan 0.000 0.450 62 T N 0.268 114.817 114.554 -0.008 0.000 2.812 62 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 62 T C 1.702 176.401 174.700 -0.001 0.000 1.042 62 T CA 0.888 63.017 62.100 0.049 0.000 1.140 62 T CB -0.222 68.686 68.868 0.068 0.000 0.870 62 T HN 0.205 nan 8.240 nan 0.000 0.445 63 E N 0.941 121.101 120.200 -0.066 0.000 2.077 63 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 63 E C 2.238 178.560 176.600 -0.463 0.000 0.989 63 E CA 1.046 57.348 56.400 -0.163 0.000 0.800 63 E CB -0.189 29.526 29.700 0.025 0.000 0.746 63 E HN 0.461 nan 8.360 nan 0.000 0.452 64 M N 0.324 119.536 119.600 -0.647 0.000 2.175 64 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 64 M C 2.420 178.580 176.300 -0.234 0.000 1.063 64 M CA 0.928 55.807 55.300 -0.702 0.000 1.119 64 M CB -0.095 32.010 32.600 -0.826 0.000 1.377 64 M HN -0.003 nan 8.290 nan 0.000 0.415 65 S N 1.216 116.838 115.700 -0.131 0.000 2.359 65 S HA -0.102 4.367 4.470 -0.000 0.000 0.224 65 S C 1.888 176.573 174.600 0.143 0.000 1.035 65 S CA 1.190 59.388 58.200 -0.003 0.000 1.018 65 S CB -0.457 62.737 63.200 -0.009 0.000 0.876 65 S HN 0.405 nan 8.310 nan 0.000 0.448 66 L N 1.014 122.329 121.223 0.153 0.000 2.083 66 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 66 L C 2.766 179.687 176.870 0.084 0.000 1.083 66 L CA 1.138 56.066 54.840 0.148 0.000 0.752 66 L CB -0.669 41.422 42.059 0.053 0.000 0.899 66 L HN 0.338 nan 8.230 nan 0.000 0.433 67 A N -0.047 122.795 122.820 0.036 0.000 1.898 67 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 67 A C 2.183 179.814 177.584 0.077 0.000 1.181 67 A CA 1.612 53.699 52.037 0.083 0.000 0.620 67 A CB -0.639 18.449 19.000 0.146 0.000 0.819 67 A HN 0.324 nan 8.150 nan 0.000 0.442 68 L N 0.182 121.482 121.223 0.129 0.000 2.017 68 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 68 L C 2.343 179.222 176.870 0.014 0.000 1.073 68 L CA 2.470 57.326 54.840 0.027 0.000 0.745 68 L CB -1.139 40.978 42.059 0.096 0.000 0.894 68 L HN 0.276 nan 8.230 nan 0.000 0.432 69 G N -0.920 107.929 108.800 0.081 0.000 2.422 69 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 69 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 69 G C 1.786 176.733 174.900 0.079 0.000 1.140 69 G CA 0.717 45.887 45.100 0.115 0.000 0.775 69 G HN 0.443 nan 8.290 nan 0.000 0.545 70 R N 0.348 120.884 120.500 0.059 0.000 2.083 70 R HA -0.094 4.245 4.340 -0.000 0.000 0.237 70 R C 2.713 179.014 176.300 0.002 0.000 1.137 70 R CA 1.946 58.066 56.100 0.033 0.000 0.951 70 R CB -0.495 29.825 30.300 0.033 0.000 0.851 70 R HN 0.350 nan 8.270 nan 0.000 0.434 71 S N 0.184 115.863 115.700 -0.034 0.000 2.345 71 S HA -0.087 4.383 4.470 -0.000 0.000 0.220 71 S C 2.028 176.583 174.600 -0.074 0.000 1.031 71 S CA 1.234 59.388 58.200 -0.078 0.000 0.996 71 S CB -0.288 62.821 63.200 -0.153 0.000 0.882 71 S HN 0.373 nan 8.310 nan 0.000 0.445 72 L N 1.255 122.438 121.223 -0.066 0.000 1.997 72 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 72 L C 2.986 179.866 176.870 0.016 0.000 1.074 72 L CA 1.654 56.469 54.840 -0.041 0.000 0.763 72 L CB -0.775 41.305 42.059 0.034 0.000 0.890 72 L HN 0.457 nan 8.230 nan 0.000 0.434 73 A N -0.511 122.332 122.820 0.039 0.000 1.969 73 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 73 A C 2.471 180.072 177.584 0.027 0.000 1.169 73 A CA 1.560 53.628 52.037 0.051 0.000 0.635 73 A CB -0.600 18.435 19.000 0.058 0.000 0.810 73 A HN 0.425 nan 8.150 nan 0.000 0.445 74 A N -0.744 122.081 122.820 0.007 0.000 1.929 74 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 74 A C 1.961 179.539 177.584 -0.010 0.000 1.176 74 A CA 1.444 53.480 52.037 -0.001 0.000 0.628 74 A CB -0.125 18.869 19.000 -0.009 0.000 0.816 74 A HN 0.284 nan 8.150 nan 0.000 0.444 75 K N -1.562 118.822 120.400 -0.027 0.000 2.361 75 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 75 K C 1.194 177.781 176.600 -0.021 0.000 1.032 75 K CA 0.731 56.995 56.287 -0.039 0.000 1.048 75 K CB -0.031 32.420 32.500 -0.082 0.000 0.842 75 K HN 0.698 nan 8.250 nan 0.000 0.526 76 G N 1.814 110.618 108.800 0.008 0.000 2.166 76 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 76 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 76 G C 0.303 175.253 174.900 0.083 0.000 0.986 76 G CA 1.397 46.530 45.100 0.054 0.000 0.683 76 G HN 0.455 nan 8.290 nan 0.000 0.527 77 T N -2.019 112.522 114.554 -0.021 0.000 2.677 77 T HA 0.503 4.853 4.350 -0.000 0.000 0.305 77 T C -1.230 173.124 174.700 -0.577 0.000 1.569 77 T CA 0.011 62.028 62.100 -0.139 0.000 0.984 77 T CB 0.870 69.713 68.868 -0.041 0.000 1.629 77 T HN 1.171 nan 8.240 nan 0.000 0.494 78 L N 3.160 123.727 121.223 -1.095 0.000 2.369 78 L HA 0.553 4.892 4.340 -0.000 0.000 0.279 78 L C -0.663 175.910 176.870 -0.495 0.000 1.108 78 L CA 0.300 54.518 54.840 -1.036 0.000 0.852 78 L CB 0.348 41.491 42.059 -1.527 0.000 1.169 78 L HN 0.546 nan 8.230 nan 0.000 0.452 79 D N 3.984 124.164 120.400 -0.365 0.000 2.408 79 D HA 0.147 4.786 4.640 -0.000 0.000 0.261 79 D C 0.816 176.973 176.300 -0.238 0.000 1.190 79 D CA -0.332 53.526 54.000 -0.237 0.000 0.910 79 D CB 1.344 42.037 40.800 -0.178 0.000 1.097 79 D HN 0.350 nan 8.370 nan 0.000 0.522 80 V N 3.062 122.846 119.914 -0.216 0.000 2.407 80 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 80 V C 2.535 178.485 176.094 -0.241 0.000 1.055 80 V CA 2.015 64.182 62.300 -0.221 0.000 1.049 80 V CB -0.670 31.061 31.823 -0.152 0.000 0.662 80 V HN 0.608 nan 8.190 nan 0.000 0.455 81 A N 0.145 122.864 122.820 -0.168 0.000 1.930 81 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 81 A C 2.042 179.503 177.584 -0.204 0.000 1.175 81 A CA 2.083 54.032 52.037 -0.147 0.000 0.627 81 A CB -0.601 18.393 19.000 -0.010 0.000 0.815 81 A HN 0.578 nan 8.150 nan 0.000 0.443 82 D N -0.356 119.936 120.400 -0.181 0.000 2.149 82 D HA -0.063 4.576 4.640 -0.000 0.000 0.201 82 D C 1.700 177.840 176.300 -0.266 0.000 0.972 82 D CA 1.039 54.937 54.000 -0.170 0.000 0.835 82 D CB -0.175 40.544 40.800 -0.135 0.000 0.966 82 D HN 0.484 nan 8.370 nan 0.000 0.476 83 I N -0.152 120.193 120.570 -0.374 0.000 2.226 83 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 83 I C 2.357 177.990 176.117 -0.807 0.000 1.100 83 I CA 0.471 61.416 61.300 -0.592 0.000 1.374 83 I CB -0.266 37.358 38.000 -0.627 0.000 1.057 83 I HN 0.218 nan 8.210 nan 0.000 0.413 84 C N 0.491 119.373 119.300 -0.697 0.000 2.398 84 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 84 C C 2.801 177.453 174.990 -0.563 0.000 1.222 84 C CA 0.818 59.343 59.018 -0.822 0.000 1.746 84 C CB -0.952 25.887 27.740 -1.503 0.000 2.039 84 C HN 0.485 nan 8.230 nan 0.000 0.470 85 E N 0.674 120.661 120.200 -0.355 0.000 2.077 85 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 85 E C 2.219 178.847 176.600 0.046 0.000 0.989 85 E CA 1.111 57.513 56.400 0.003 0.000 0.800 85 E CB -0.408 29.317 29.700 0.042 0.000 0.746 85 E HN 0.613 nan 8.360 nan 0.000 0.452 86 E N -0.099 120.076 120.200 -0.042 0.000 2.077 86 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 86 E C 2.011 178.777 176.600 0.276 0.000 0.989 86 E CA 0.507 56.944 56.400 0.063 0.000 0.800 86 E CB -0.334 29.349 29.700 -0.028 0.000 0.746 86 E HN 0.249 nan 8.360 nan 0.000 0.452 87 F N 1.017 121.008 119.950 0.069 0.000 2.171 87 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 87 F C 2.439 178.417 175.800 0.297 0.000 1.090 87 F CA 0.643 58.751 58.000 0.179 0.000 1.293 87 F CB -1.369 37.685 39.000 0.090 0.000 1.013 87 F HN -0.022 nan 8.300 nan 0.000 0.486 88 A N 0.252 123.308 122.820 0.393 0.000 1.873 88 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 88 A C 2.364 180.094 177.584 0.242 0.000 1.186 88 A CA 1.216 53.444 52.037 0.319 0.000 0.616 88 A CB -1.075 18.133 19.000 0.346 0.000 0.823 88 A HN 0.342 nan 8.150 nan 0.000 0.442 89 L N -2.397 118.965 121.223 0.231 0.000 2.046 89 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 89 L C 2.524 179.522 176.870 0.212 0.000 1.077 89 L CA 1.695 56.643 54.840 0.180 0.000 0.747 89 L CB -0.536 41.616 42.059 0.155 0.000 0.896 89 L HN 0.773 nan 8.230 nan 0.000 0.432 90 W N 0.769 122.131 121.300 0.103 0.000 2.333 90 W HA -0.264 4.397 4.660 0.000 0.000 0.316 90 W C 2.301 178.861 176.519 0.067 0.000 1.215 90 W CA 1.415 58.812 57.345 0.086 0.000 1.278 90 W CB -0.376 29.148 29.460 0.106 0.000 1.154 90 W HN 0.012 nan 8.180 nan 0.000 0.486 91 L N 1.803 122.992 121.223 -0.057 0.000 2.042 91 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 91 L C 2.306 179.038 176.870 -0.230 0.000 1.076 91 L CA 2.117 56.759 54.840 -0.329 0.000 0.749 91 L CB -1.019 41.019 42.059 -0.036 0.000 0.893 91 L HN -0.032 nan 8.230 nan 0.000 0.432 92 K N -0.898 119.457 120.400 -0.074 0.000 2.283 92 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 92 K C 1.894 178.448 176.600 -0.077 0.000 1.048 92 K CA 1.163 57.420 56.287 -0.050 0.000 0.948 92 K CB -0.202 32.303 32.500 0.007 0.000 0.742 92 K HN 0.547 nan 8.250 nan 0.000 0.458 93 S N 0.716 116.349 115.700 -0.111 0.000 2.607 93 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 93 S C 0.057 174.563 174.600 -0.157 0.000 0.969 93 S CA -0.237 57.902 58.200 -0.102 0.000 0.927 93 S CB -0.310 62.854 63.200 -0.059 0.000 0.772 93 S HN 0.224 nan 8.310 nan 0.000 0.533 94 R N 0.582 120.951 120.500 -0.219 0.000 2.992 94 R HA -0.084 4.256 4.340 -0.000 0.000 0.263 94 R C -2.639 173.517 176.300 -0.240 0.000 0.902 94 R CA 0.344 56.317 56.100 -0.210 0.000 0.667 94 R CB -2.078 28.151 30.300 -0.120 0.000 1.504 94 R HN 0.452 nan 8.270 nan 0.000 0.489 95 P HA -0.018 nan 4.420 nan 0.000 0.271 95 P C 1.295 178.508 177.300 -0.145 0.000 1.233 95 P CA -0.135 62.792 63.100 -0.288 0.000 0.789 95 P CB 0.471 31.862 31.700 -0.515 0.000 0.951 96 V N -2.395 117.481 119.914 -0.062 0.000 2.490 96 V HA -0.089 4.031 4.120 -0.000 0.000 0.250 96 V C 0.669 176.715 176.094 -0.080 0.000 1.061 96 V CA 1.693 63.944 62.300 -0.082 0.000 1.064 96 V CB -1.260 30.509 31.823 -0.090 0.000 0.670 96 V HN 0.571 nan 8.190 nan 0.000 0.461 97 N N -1.087 117.614 118.700 0.002 0.000 2.324 97 N HA 0.585 5.324 4.740 -0.000 0.000 0.285 97 N C -1.531 174.070 175.510 0.151 0.000 1.076 97 N CA -0.311 52.791 53.050 0.086 0.000 0.864 97 N CB 2.538 41.106 38.487 0.135 0.000 1.632 97 N HN 0.075 nan 8.380 nan 0.000 0.478 98 V N 0.825 120.826 119.914 0.144 0.000 2.709 98 V HA 0.756 4.876 4.120 -0.000 0.000 0.308 98 V C 0.926 177.138 176.094 0.197 0.000 1.062 98 V CA -1.017 61.395 62.300 0.187 0.000 0.901 98 V CB 1.595 33.431 31.823 0.022 0.000 1.003 98 V HN 0.734 nan 8.190 nan 0.000 0.425 99 G N 1.494 110.423 108.800 0.214 0.000 2.503 99 G HA2 0.228 4.188 3.960 -0.000 0.000 0.257 99 G HA3 0.228 4.188 3.960 -0.000 0.000 0.257 99 G C 0.593 175.573 174.900 0.133 0.000 1.214 99 G CA -0.373 44.832 45.100 0.175 0.000 0.839 99 G HN 0.694 nan 8.290 nan 0.000 0.559 100 N N 0.532 119.294 118.700 0.102 0.000 2.142 100 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 100 N C 2.357 177.884 175.510 0.028 0.000 1.023 100 N CA 1.625 54.710 53.050 0.059 0.000 0.852 100 N CB -0.247 38.263 38.487 0.038 0.000 0.998 100 N HN 0.478 nan 8.380 nan 0.000 0.424 101 T N 0.929 115.486 114.554 0.006 0.000 2.812 101 T HA -0.044 4.305 4.350 -0.000 0.000 0.264 101 T C 2.268 176.939 174.700 -0.048 0.000 1.042 101 T CA 0.636 62.672 62.100 -0.107 0.000 1.140 101 T CB -0.371 68.298 68.868 -0.331 0.000 0.870 101 T HN 0.285 nan 8.240 nan 0.000 0.445 102 C N 1.260 120.618 119.300 0.096 0.000 2.393 102 C HA -0.083 4.377 4.460 -0.000 0.000 0.276 102 C C 2.869 177.936 174.990 0.129 0.000 1.215 102 C CA 0.730 59.833 59.018 0.142 0.000 1.743 102 C CB -0.945 26.892 27.740 0.161 0.000 2.044 102 C HN 0.529 nan 8.230 nan 0.000 0.464 103 R N 0.643 121.213 120.500 0.118 0.000 2.083 103 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 103 R C 2.500 178.853 176.300 0.089 0.000 1.137 103 R CA 1.734 57.895 56.100 0.103 0.000 0.951 103 R CB -0.410 29.931 30.300 0.069 0.000 0.851 103 R HN 0.521 nan 8.270 nan 0.000 0.434 104 R N -0.467 120.065 120.500 0.053 0.000 2.081 104 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 104 R C 2.211 178.550 176.300 0.066 0.000 1.131 104 R CA 1.760 57.882 56.100 0.036 0.000 0.960 104 R CB -0.577 29.720 30.300 -0.005 0.000 0.856 104 R HN 0.395 nan 8.270 nan 0.000 0.436 105 G N 0.879 109.722 108.800 0.072 0.000 2.421 105 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.216 105 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.216 105 G C 1.443 176.460 174.900 0.195 0.000 1.171 105 G CA 0.979 46.149 45.100 0.116 0.000 0.775 105 G HN 0.290 nan 8.290 nan 0.000 0.543 106 I N 0.144 120.846 120.570 0.219 0.000 2.315 106 I HA -0.113 4.056 4.170 -0.000 0.000 0.248 106 I C 2.983 179.279 176.117 0.298 0.000 1.117 106 I CA 0.804 62.282 61.300 0.297 0.000 1.404 106 I CB -0.162 38.018 38.000 0.301 0.000 1.071 106 I HN 0.064 nan 8.210 nan 0.000 0.419 107 R N 0.269 120.904 120.500 0.225 0.000 2.115 107 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 107 R C 2.399 178.854 176.300 0.258 0.000 1.111 107 R CA 0.815 57.067 56.100 0.253 0.000 0.976 107 R CB -0.397 30.001 30.300 0.163 0.000 0.870 107 R HN 0.362 nan 8.270 nan 0.000 0.445 108 R N 0.465 121.077 120.500 0.186 0.000 2.080 108 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 108 R C 2.184 178.594 176.300 0.183 0.000 1.137 108 R CA 1.864 58.058 56.100 0.157 0.000 0.943 108 R CB -0.533 29.844 30.300 0.128 0.000 0.846 108 R HN 0.219 nan 8.270 nan 0.000 0.431 109 Y N 1.152 121.520 120.300 0.113 0.000 2.114 109 Y HA -0.246 4.303 4.550 -0.001 0.000 0.282 109 Y C 2.260 178.206 175.900 0.076 0.000 1.165 109 Y CA 2.290 60.445 58.100 0.091 0.000 1.148 109 Y CB -0.411 38.108 38.460 0.098 0.000 0.972 109 Y HN 0.056 nan 8.280 nan 0.000 0.504 110 M N -1.043 118.517 119.600 -0.067 0.000 2.213 110 M HA -0.251 4.229 4.480 -0.000 0.000 0.263 110 M C 1.804 177.916 176.300 -0.312 0.000 1.062 110 M CA 1.734 56.892 55.300 -0.237 0.000 1.105 110 M CB -0.370 32.199 32.600 -0.053 0.000 1.385 110 M HN 0.414 nan 8.290 nan 0.000 0.417 111 H N -1.488 117.523 119.070 -0.099 0.000 2.604 111 H HA 0.120 4.675 4.556 -0.000 0.000 0.273 111 H C 1.065 176.350 175.328 -0.072 0.000 0.971 111 H CA 0.872 56.880 56.048 -0.068 0.000 1.249 111 H CB 0.505 30.252 29.762 -0.026 0.000 1.449 111 H HN 0.467 nan 8.280 nan 0.000 0.512 112 E N -0.447 119.773 120.200 0.033 0.000 2.490 112 E HA 0.148 4.498 4.350 -0.000 0.000 0.209 112 E C 1.157 177.731 176.600 -0.043 0.000 0.971 112 E CA 0.324 56.729 56.400 0.009 0.000 0.988 112 E CB 1.215 30.942 29.700 0.045 0.000 1.029 112 E HN 0.455 nan 8.360 nan 0.000 0.496 113 G N 2.289 110.999 108.800 -0.150 0.000 2.184 113 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.264 113 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.264 113 G C 0.533 175.468 174.900 0.058 0.000 0.975 113 G CA 0.795 45.785 45.100 -0.184 0.000 0.642 113 G HN 0.338 nan 8.290 nan 0.000 0.536 114 T N -1.189 113.436 114.554 0.118 0.000 2.869 114 T HA 0.539 4.888 4.350 -0.000 0.000 0.295 114 T C 1.401 176.255 174.700 0.257 0.000 0.987 114 T CA 0.687 62.883 62.100 0.159 0.000 1.109 114 T CB 1.645 70.578 68.868 0.108 0.000 0.932 114 T HN 0.877 nan 8.240 nan 0.000 0.518 115 T N -1.049 113.613 114.554 0.180 0.000 3.086 115 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 115 T C 0.646 175.393 174.700 0.078 0.000 1.074 115 T CA -0.121 62.048 62.100 0.115 0.000 0.988 115 T CB 0.103 68.996 68.868 0.042 0.000 0.988 115 T HN 0.681 nan 8.240 nan 0.000 0.530 116 T N 1.065 115.676 114.554 0.095 0.000 2.909 116 T HA 0.686 5.035 4.350 -0.000 0.000 0.299 116 T C -1.321 173.436 174.700 0.095 0.000 1.073 116 T CA -0.486 61.666 62.100 0.087 0.000 0.999 116 T CB 1.581 70.492 68.868 0.072 0.000 1.098 116 T HN 0.428 nan 8.240 nan 0.000 0.477 117 A N 4.682 127.560 122.820 0.097 0.000 2.310 117 A HA 0.802 5.122 4.320 -0.000 0.000 0.299 117 A C -2.394 175.242 177.584 0.087 0.000 1.147 117 A CA -1.442 50.646 52.037 0.085 0.000 0.818 117 A CB 0.169 19.214 19.000 0.074 0.000 1.096 117 A HN 0.632 nan 8.150 nan 0.000 0.495 118 P HA 0.114 nan 4.420 nan 0.000 0.274 118 P C -0.654 176.715 177.300 0.114 0.000 1.237 118 P CA -0.175 62.982 63.100 0.096 0.000 0.793 118 P CB 0.329 32.074 31.700 0.074 0.000 0.977 119 Y N 1.281 121.604 120.300 0.040 0.000 2.712 119 Y HA 0.191 4.741 4.550 -0.000 0.000 0.333 119 Y C 0.268 176.194 175.900 0.044 0.000 1.225 119 Y CA 0.937 59.061 58.100 0.040 0.000 1.499 119 Y CB 0.274 38.742 38.460 0.015 0.000 1.288 119 Y HN 0.381 nan 8.280 nan 0.000 0.575 120 S N 4.944 120.170 115.700 -0.791 0.000 2.548 120 S HA 0.181 4.651 4.470 -0.000 0.000 0.276 120 S C 0.467 174.537 174.600 -0.883 0.000 1.129 120 S CA -0.718 57.032 58.200 -0.751 0.000 0.931 120 S CB 1.438 64.463 63.200 -0.291 0.000 1.068 120 S HN 0.920 nan 8.310 nan 0.000 0.480 121 E N 3.325 123.167 120.200 -0.596 0.000 2.160 121 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 121 E C 1.386 177.978 176.600 -0.012 0.000 0.991 121 E CA 1.559 57.887 56.400 -0.120 0.000 0.810 121 E CB -0.432 29.288 29.700 0.033 0.000 0.742 121 E HN 0.841 nan 8.360 nan 0.000 0.466 122 G N 0.234 108.971 108.800 -0.104 0.000 3.181 122 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.219 122 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.219 122 G C 0.376 175.210 174.900 -0.109 0.000 1.182 122 G CA -0.127 44.914 45.100 -0.099 0.000 0.791 122 G HN 0.086 nan 8.290 nan 0.000 0.537 123 D N 0.554 120.897 120.400 -0.095 0.000 2.325 123 D HA 0.231 4.871 4.640 -0.000 0.000 0.234 123 D C 1.875 178.190 176.300 0.025 0.000 1.122 123 D CA 0.118 54.077 54.000 -0.067 0.000 0.850 123 D CB 0.541 41.328 40.800 -0.022 0.000 0.921 123 D HN 0.254 nan 8.370 nan 0.000 0.513 124 A N 0.175 122.885 122.820 -0.184 0.000 2.411 124 A HA 0.478 4.798 4.320 -0.000 0.000 0.251 124 A C 1.289 178.938 177.584 0.108 0.000 1.317 124 A CA -0.245 51.673 52.037 -0.198 0.000 0.904 124 A CB -0.248 18.460 19.000 -0.486 0.000 0.993 124 A HN 0.188 nan 8.150 nan 0.000 0.504 125 G N 0.120 109.026 108.800 0.176 0.000 2.634 125 G HA2 0.274 4.233 3.960 -0.000 0.000 0.255 125 G HA3 0.274 4.233 3.960 -0.000 0.000 0.255 125 G C 0.511 175.473 174.900 0.103 0.000 1.205 125 G CA 0.043 45.257 45.100 0.189 0.000 0.884 125 G HN 0.520 nan 8.290 nan 0.000 0.549 126 N N -0.444 118.275 118.700 0.031 0.000 2.370 126 N HA 0.055 4.795 4.740 -0.000 0.000 0.198 126 N C 1.692 177.103 175.510 -0.166 0.000 1.156 126 N CA 0.627 53.636 53.050 -0.068 0.000 0.839 126 N CB 0.208 38.669 38.487 -0.043 0.000 0.989 126 N HN 0.477 nan 8.380 nan 0.000 0.468 127 G N -0.369 108.302 108.800 -0.215 0.000 2.471 127 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.219 127 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.219 127 G C 1.418 176.076 174.900 -0.403 0.000 1.125 127 G CA 0.683 45.648 45.100 -0.225 0.000 0.775 127 G HN 0.535 nan 8.290 nan 0.000 0.548 128 A N 0.872 123.259 122.820 -0.721 0.000 1.911 128 A HA 0.548 4.867 4.320 -0.000 0.000 0.212 128 A C 2.727 180.175 177.584 -0.226 0.000 1.189 128 A CA 1.519 53.318 52.037 -0.397 0.000 0.639 128 A CB -0.571 18.219 19.000 -0.351 0.000 0.839 128 A HN 0.585 nan 8.150 nan 0.000 0.449 129 A N 0.806 123.494 122.820 -0.220 0.000 1.972 129 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 129 A C 2.258 179.753 177.584 -0.150 0.000 1.169 129 A CA 1.917 53.862 52.037 -0.153 0.000 0.635 129 A CB -0.789 18.133 19.000 -0.130 0.000 0.810 129 A HN 0.823 nan 8.150 nan 0.000 0.446 130 M N -0.287 119.220 119.600 -0.155 0.000 2.460 130 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 130 M C 1.383 177.597 176.300 -0.144 0.000 1.071 130 M CA 2.014 57.231 55.300 -0.137 0.000 1.096 130 M CB -0.233 32.295 32.600 -0.119 0.000 1.408 130 M HN 0.454 nan 8.290 nan 0.000 0.463 131 R N 0.208 120.619 120.500 -0.149 0.000 2.543 131 R HA 0.256 4.595 4.340 -0.000 0.000 0.323 131 R C 1.380 177.610 176.300 -0.117 0.000 1.002 131 R CA 0.287 56.303 56.100 -0.139 0.000 1.106 131 R CB -0.883 29.328 30.300 -0.149 0.000 1.280 131 R HN 0.581 nan 8.270 nan 0.000 0.549 132 C N -1.163 118.061 119.300 -0.127 0.000 2.539 132 C HA 0.217 4.676 4.460 -0.000 0.000 0.268 132 C C 2.111 177.015 174.990 -0.143 0.000 1.395 132 C CA -0.618 58.335 59.018 -0.107 0.000 1.757 132 C CB -0.843 26.835 27.740 -0.103 0.000 1.851 132 C HN 0.516 nan 8.230 nan 0.000 0.545 133 L N 2.935 124.026 121.223 -0.219 0.000 1.997 133 L HA -0.021 4.319 4.340 -0.000 0.000 0.216 133 L C -0.409 176.305 176.870 -0.260 0.000 1.074 133 L CA 2.532 57.202 54.840 -0.284 0.000 0.763 133 L CB -1.668 40.122 42.059 -0.448 0.000 0.890 133 L HN 0.115 nan 8.230 nan 0.000 0.434 134 P HA -0.178 nan 4.420 nan 0.000 0.216 134 P C 1.491 178.798 177.300 0.012 0.000 1.150 134 P CA 2.117 65.141 63.100 -0.127 0.000 0.843 134 P CB -0.251 31.417 31.700 -0.053 0.000 0.787 135 A N -0.313 122.527 122.820 0.033 0.000 1.969 135 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 135 A C 2.293 179.917 177.584 0.067 0.000 1.169 135 A CA 1.776 53.901 52.037 0.146 0.000 0.635 135 A CB -1.470 17.619 19.000 0.149 0.000 0.810 135 A HN 0.191 nan 8.150 nan 0.000 0.445 136 A N 0.071 122.876 122.820 -0.025 0.000 1.877 136 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 136 A C 2.155 179.808 177.584 0.114 0.000 1.186 136 A CA 1.491 53.515 52.037 -0.021 0.000 0.620 136 A CB -0.636 18.312 19.000 -0.087 0.000 0.822 136 A HN 0.465 nan 8.150 nan 0.000 0.443 137 L N -0.770 120.464 121.223 0.017 0.000 2.046 137 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 137 L C 3.026 179.893 176.870 -0.006 0.000 1.077 137 L CA 1.135 55.974 54.840 -0.002 0.000 0.747 137 L CB -0.605 41.452 42.059 -0.003 0.000 0.896 137 L HN 0.431 nan 8.230 nan 0.000 0.432 138 A N -0.257 122.592 122.820 0.048 0.000 2.070 138 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 138 A C 2.055 179.526 177.584 -0.188 0.000 1.159 138 A CA 1.898 53.989 52.037 0.090 0.000 0.656 138 A CB -0.701 18.508 19.000 0.347 0.000 0.800 138 A HN 0.533 nan 8.150 nan 0.000 0.453 139 T N -3.349 110.985 114.554 -0.366 0.000 3.129 139 T HA 0.399 4.749 4.350 -0.000 0.000 0.267 139 T C 1.323 175.656 174.700 -0.611 0.000 1.018 139 T CA 0.000 61.585 62.100 -0.859 0.000 0.903 139 T CB -0.282 68.202 68.868 -0.639 0.000 1.067 139 T HN 0.217 nan 8.240 nan 0.000 0.549 140 L N 0.953 121.875 121.223 -0.501 0.000 2.042 140 L HA 0.057 4.397 4.340 -0.000 0.000 0.210 140 L C 2.909 179.518 176.870 -0.435 0.000 1.076 140 L CA 1.798 56.251 54.840 -0.644 0.000 0.749 140 L CB -0.690 41.130 42.059 -0.399 0.000 0.893 140 L HN 0.537 nan 8.230 nan 0.000 0.432 141 G N -1.407 107.226 108.800 -0.279 0.000 2.464 141 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.217 141 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.217 141 G C 0.368 175.242 174.900 -0.043 0.000 1.138 141 G CA 0.359 45.399 45.100 -0.101 0.000 0.793 141 G HN 0.690 nan 8.290 nan 0.000 0.539 142 H N -1.576 117.399 119.070 -0.158 0.000 2.336 142 H HA 0.450 5.006 4.556 -0.000 0.000 0.230 142 H C -1.953 173.276 175.328 -0.165 0.000 1.426 142 H CA -2.072 53.883 56.048 -0.156 0.000 1.359 142 H CB 1.494 31.149 29.762 -0.179 0.000 1.555 142 H HN 0.006 nan 8.280 nan 0.000 0.512 143 P HA -0.130 nan 4.420 nan 0.000 0.225 143 P C 1.375 178.626 177.300 -0.082 0.000 1.148 143 P CA 1.136 64.202 63.100 -0.056 0.000 0.779 143 P CB 0.244 31.951 31.700 0.012 0.000 0.780 144 A N 0.230 123.012 122.820 -0.064 0.000 2.125 144 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 144 A C 1.754 179.287 177.584 -0.085 0.000 1.156 144 A CA 1.433 53.438 52.037 -0.052 0.000 0.671 144 A CB -0.879 18.110 19.000 -0.019 0.000 0.794 144 A HN 0.057 nan 8.150 nan 0.000 0.459 145 D N -0.977 119.312 120.400 -0.185 0.000 2.350 145 D HA 0.032 4.671 4.640 -0.000 0.000 0.213 145 D C 1.640 177.696 176.300 -0.406 0.000 1.031 145 D CA 0.106 53.884 54.000 -0.369 0.000 0.861 145 D CB 0.106 40.450 40.800 -0.760 0.000 0.926 145 D HN 0.369 nan 8.370 nan 0.000 0.520 146 L N 1.381 122.433 121.223 -0.285 0.000 1.970 146 L HA -0.150 4.189 4.340 -0.000 0.000 0.212 146 L C 2.099 178.902 176.870 -0.112 0.000 1.071 146 L CA 1.902 56.591 54.840 -0.251 0.000 0.751 146 L CB -0.432 41.411 42.059 -0.360 0.000 0.889 146 L HN -0.109 nan 8.230 nan 0.000 0.432 147 E N -0.428 119.722 120.200 -0.083 0.000 2.051 147 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 147 E C -0.159 176.475 176.600 0.056 0.000 0.991 147 E CA 1.781 58.168 56.400 -0.021 0.000 0.799 147 E CB -1.228 28.459 29.700 -0.021 0.000 0.748 147 E HN 0.379 nan 8.360 nan 0.000 0.449 148 P HA -0.155 nan 4.420 nan 0.000 0.215 148 P C 1.039 178.516 177.300 0.295 0.000 1.157 148 P CA 1.408 64.625 63.100 0.194 0.000 0.874 148 P CB -0.432 31.421 31.700 0.254 0.000 0.790 149 W N -0.799 120.494 121.300 -0.010 0.000 2.407 149 W HA -0.053 4.607 4.660 -0.000 0.000 0.305 149 W C 2.414 178.915 176.519 -0.030 0.000 1.196 149 W CA 0.411 57.747 57.345 -0.015 0.000 1.311 149 W CB -1.775 27.680 29.460 -0.009 0.000 1.135 149 W HN -0.267 nan 8.180 nan 0.000 0.514 150 V N 0.479 120.504 119.914 0.185 0.000 2.287 150 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 150 V C 2.341 178.471 176.094 0.060 0.000 1.053 150 V CA 1.377 63.720 62.300 0.071 0.000 1.027 150 V CB -1.025 30.794 31.823 -0.007 0.000 0.646 150 V HN 0.063 nan 8.190 nan 0.000 0.447 151 L N -0.242 121.022 121.223 0.068 0.000 2.093 151 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 151 L C 2.741 179.652 176.870 0.069 0.000 1.085 151 L CA 2.206 57.086 54.840 0.067 0.000 0.755 151 L CB -1.661 40.440 42.059 0.069 0.000 0.904 151 L HN 0.401 nan 8.230 nan 0.000 0.435 152 A N 0.722 123.580 122.820 0.064 0.000 1.883 152 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 152 A C 2.142 179.734 177.584 0.014 0.000 1.186 152 A CA 2.100 54.154 52.037 0.027 0.000 0.624 152 A CB -0.531 18.460 19.000 -0.014 0.000 0.822 152 A HN 0.585 nan 8.150 nan 0.000 0.444 153 Q N -0.114 119.695 119.800 0.015 0.000 2.119 153 Q HA 0.174 4.514 4.340 -0.000 0.000 0.201 153 Q C 1.873 177.944 176.000 0.117 0.000 0.972 153 Q CA 2.112 57.932 55.803 0.030 0.000 0.847 153 Q CB -0.940 27.812 28.738 0.024 0.000 0.903 153 Q HN 0.464 nan 8.270 nan 0.000 0.433 154 A N 1.285 124.160 122.820 0.092 0.000 1.877 154 A HA -0.122 4.197 4.320 -0.000 0.000 0.216 154 A C 2.124 179.800 177.584 0.153 0.000 1.186 154 A CA 1.472 53.568 52.037 0.098 0.000 0.620 154 A CB -0.446 18.590 19.000 0.059 0.000 0.822 154 A HN 0.278 nan 8.150 nan 0.000 0.443 155 R N -0.204 120.374 120.500 0.130 0.000 2.339 155 R HA 0.090 4.430 4.340 -0.000 0.000 0.199 155 R C 1.611 177.991 176.300 0.134 0.000 1.018 155 R CA 0.456 56.638 56.100 0.137 0.000 1.036 155 R CB -0.684 29.681 30.300 0.107 0.000 0.899 155 R HN 0.673 nan 8.270 nan 0.000 0.473 156 I N 0.473 121.129 120.570 0.143 0.000 2.361 156 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 156 I C 2.059 178.289 176.117 0.188 0.000 1.133 156 I CA 1.951 63.342 61.300 0.152 0.000 1.413 156 I CB -0.187 37.925 38.000 0.186 0.000 1.073 156 I HN 0.230 nan 8.210 nan 0.000 0.424 157 T N -4.553 110.137 114.554 0.227 0.000 2.989 157 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 157 T C 0.352 175.104 174.700 0.087 0.000 0.981 157 T CA -0.153 62.065 62.100 0.196 0.000 0.980 157 T CB 0.088 69.128 68.868 0.287 0.000 1.133 157 T HN 0.109 nan 8.240 nan 0.000 0.489 158 H N 1.565 120.684 119.070 0.081 0.000 2.727 158 H HA 0.684 5.240 4.556 -0.001 0.000 0.330 158 H C -1.133 174.262 175.328 0.113 0.000 0.986 158 H CA -0.849 55.249 56.048 0.083 0.000 1.251 158 H CB 1.145 30.950 29.762 0.072 0.000 1.493 158 H HN 0.116 nan 8.280 nan 0.000 0.515 159 N N 2.927 121.747 118.700 0.199 0.000 2.696 159 N HA 0.129 4.869 4.740 -0.000 0.000 0.246 159 N C -1.713 173.991 175.510 0.322 0.000 1.057 159 N CA -0.324 52.862 53.050 0.226 0.000 0.867 159 N CB 0.333 38.931 38.487 0.185 0.000 1.141 159 N HN 0.702 nan 8.380 nan 0.000 0.517 160 H N 2.993 122.206 119.070 0.237 0.000 3.086 160 H HA 0.287 4.843 4.556 -0.000 0.000 0.353 160 H C -2.293 173.160 175.328 0.209 0.000 1.134 160 H CA -1.089 55.133 56.048 0.289 0.000 1.248 160 H CB 2.429 32.308 29.762 0.195 0.000 1.878 160 H HN 0.176 nan 8.280 nan 0.000 0.527 161 P HA -0.167 nan 4.420 nan 0.000 0.216 161 P C 1.614 178.997 177.300 0.139 0.000 1.150 161 P CA 0.826 63.995 63.100 0.115 0.000 0.843 161 P CB 0.455 32.171 31.700 0.026 0.000 0.787 162 L N -1.030 120.384 121.223 0.318 0.000 2.056 162 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 162 L C 2.572 179.606 176.870 0.274 0.000 1.078 162 L CA 1.792 56.750 54.840 0.197 0.000 0.749 162 L CB -1.980 40.144 42.059 0.108 0.000 0.901 162 L HN -0.006 nan 8.230 nan 0.000 0.433 163 S N -0.673 115.178 115.700 0.251 0.000 2.348 163 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 163 S C 1.694 176.364 174.600 0.117 0.000 1.033 163 S CA 1.405 59.700 58.200 0.159 0.000 1.010 163 S CB -0.205 63.104 63.200 0.183 0.000 0.891 163 S HN 0.440 nan 8.310 nan 0.000 0.442 164 D N 1.672 122.163 120.400 0.151 0.000 2.126 164 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 164 D C 2.208 178.556 176.300 0.079 0.000 1.001 164 D CA 1.658 55.726 54.000 0.113 0.000 0.841 164 D CB -0.834 40.048 40.800 0.137 0.000 0.949 164 D HN 0.515 nan 8.370 nan 0.000 0.446 165 A N 0.818 123.705 122.820 0.112 0.000 1.898 165 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 165 A C 2.319 179.859 177.584 -0.072 0.000 1.181 165 A CA 2.297 54.385 52.037 0.085 0.000 0.620 165 A CB -0.762 18.389 19.000 0.251 0.000 0.819 165 A HN 0.248 nan 8.150 nan 0.000 0.442 166 A N -0.744 122.007 122.820 -0.114 0.000 1.877 166 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 166 A C 2.330 179.824 177.584 -0.150 0.000 1.186 166 A CA 1.740 53.642 52.037 -0.225 0.000 0.620 166 A CB -1.387 17.540 19.000 -0.122 0.000 0.822 166 A HN 0.601 nan 8.150 nan 0.000 0.443 167 C N -1.365 117.882 119.300 -0.088 0.000 2.413 167 C HA -0.109 4.350 4.460 -0.000 0.000 0.276 167 C C 2.550 177.479 174.990 -0.102 0.000 1.236 167 C CA 1.265 60.230 59.018 -0.089 0.000 1.735 167 C CB -1.445 26.265 27.740 -0.050 0.000 2.031 167 C HN 0.670 nan 8.230 nan 0.000 0.474 168 L N 0.844 122.019 121.223 -0.079 0.000 2.056 168 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 168 L C 2.543 179.340 176.870 -0.123 0.000 1.078 168 L CA 2.171 56.956 54.840 -0.092 0.000 0.749 168 L CB -1.301 40.729 42.059 -0.049 0.000 0.901 168 L HN 0.291 nan 8.230 nan 0.000 0.433 169 T N -0.057 114.426 114.554 -0.118 0.000 2.720 169 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 169 T C 1.969 176.585 174.700 -0.140 0.000 1.037 169 T CA 1.963 63.991 62.100 -0.120 0.000 1.144 169 T CB -0.348 68.429 68.868 -0.151 0.000 0.864 169 T HN 0.289 nan 8.240 nan 0.000 0.444 170 L N 0.528 121.650 121.223 -0.168 0.000 2.017 170 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 170 L C 3.053 179.809 176.870 -0.191 0.000 1.073 170 L CA 1.430 56.158 54.840 -0.185 0.000 0.745 170 L CB -1.082 40.865 42.059 -0.187 0.000 0.894 170 L HN 0.352 nan 8.230 nan 0.000 0.432 171 G N -0.212 108.465 108.800 -0.204 0.000 2.446 171 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.217 171 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.217 171 G C 1.731 176.415 174.900 -0.361 0.000 1.168 171 G CA 0.719 45.654 45.100 -0.276 0.000 0.771 171 G HN 0.270 nan 8.290 nan 0.000 0.551 172 R N -0.576 119.735 120.500 -0.315 0.000 2.091 172 R HA 0.044 4.384 4.340 -0.000 0.000 0.238 172 R C 2.793 178.896 176.300 -0.329 0.000 1.136 172 R CA 1.471 57.356 56.100 -0.359 0.000 0.959 172 R CB -0.342 29.808 30.300 -0.251 0.000 0.856 172 R HN 0.360 nan 8.270 nan 0.000 0.437 173 M N -0.089 119.432 119.600 -0.132 0.000 2.080 173 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 173 M C 2.282 178.563 176.300 -0.033 0.000 1.068 173 M CA 1.550 56.849 55.300 -0.002 0.000 1.109 173 M CB -0.212 32.345 32.600 -0.071 0.000 1.342 173 M HN 0.008 nan 8.290 nan 0.000 0.405 174 V N -0.415 119.443 119.914 -0.094 0.000 2.332 174 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 174 V C 2.117 178.234 176.094 0.039 0.000 1.055 174 V CA 1.968 64.238 62.300 -0.050 0.000 1.038 174 V CB -1.090 30.693 31.823 -0.066 0.000 0.651 174 V HN 0.507 nan 8.190 nan 0.000 0.450 175 H N -1.399 117.568 119.070 -0.172 0.000 2.353 175 H HA -0.168 4.387 4.556 -0.000 0.000 0.300 175 H C 2.476 177.735 175.328 -0.115 0.000 1.090 175 H CA 1.571 57.511 56.048 -0.180 0.000 1.327 175 H CB 0.005 29.614 29.762 -0.254 0.000 1.383 175 H HN 0.507 nan 8.280 nan 0.000 0.508 176 H N 0.581 119.694 119.070 0.071 0.000 2.319 176 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 176 H C 2.604 177.938 175.328 0.009 0.000 1.092 176 H CA 1.105 57.171 56.048 0.030 0.000 1.302 176 H CB -0.344 29.437 29.762 0.032 0.000 1.373 176 H HN 0.299 nan 8.280 nan 0.000 0.497 177 L N -0.010 121.292 121.223 0.132 0.000 2.027 177 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 177 L C 2.629 179.511 176.870 0.020 0.000 1.074 177 L CA 0.922 55.795 54.840 0.055 0.000 0.745 177 L CB -0.362 41.702 42.059 0.010 0.000 0.898 177 L HN 0.151 nan 8.230 nan 0.000 0.433 178 I N -0.086 120.484 120.570 0.001 0.000 2.493 178 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 178 I C 2.254 178.354 176.117 -0.028 0.000 1.160 178 I CA 1.168 62.454 61.300 -0.024 0.000 1.445 178 I CB -0.626 37.343 38.000 -0.051 0.000 1.086 178 I HN 0.278 nan 8.210 nan 0.000 0.433 179 G N -0.106 108.683 108.800 -0.018 0.000 2.920 179 G HA2 0.202 4.162 3.960 -0.000 0.000 0.208 179 G HA3 0.202 4.162 3.960 -0.000 0.000 0.208 179 G C 1.342 176.250 174.900 0.014 0.000 1.159 179 G CA 0.506 45.598 45.100 -0.014 0.000 0.784 179 G HN 0.531 nan 8.290 nan 0.000 0.535 180 G N 0.034 108.847 108.800 0.022 0.000 2.141 180 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 180 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 180 G C 1.159 176.074 174.900 0.026 0.000 0.982 180 G CA 0.423 45.535 45.100 0.020 0.000 0.662 180 G HN 0.534 nan 8.290 nan 0.000 0.527 181 R N 0.380 120.908 120.500 0.046 0.000 2.276 181 R HA 0.410 4.750 4.340 -0.000 0.000 0.196 181 R C 1.657 177.959 176.300 0.005 0.000 0.961 181 R CA 0.795 56.911 56.100 0.026 0.000 1.024 181 R CB 0.086 30.415 30.300 0.049 0.000 0.940 181 R HN 1.500 nan 8.270 nan 0.000 0.480 182 G N 0.882 109.701 108.800 0.031 0.000 2.760 182 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.246 182 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.246 182 G C 0.359 175.298 174.900 0.064 0.000 1.359 182 G CA -0.016 45.102 45.100 0.030 0.000 0.861 182 G HN 0.190 nan 8.290 nan 0.000 0.541 183 M N 0.077 119.724 119.600 0.078 0.000 2.202 183 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 183 M C 2.509 178.909 176.300 0.166 0.000 1.063 183 M CA 2.678 58.079 55.300 0.168 0.000 1.097 183 M CB -0.264 32.375 32.600 0.066 0.000 1.382 183 M HN 0.670 nan 8.290 nan 0.000 0.413 184 K N 0.217 120.648 120.400 0.052 0.000 2.063 184 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 184 K C 1.739 178.313 176.600 -0.044 0.000 1.048 184 K CA 1.681 57.966 56.287 -0.004 0.000 0.928 184 K CB -0.210 32.274 32.500 -0.027 0.000 0.713 184 K HN 0.458 nan 8.250 nan 0.000 0.442 185 A N 0.689 123.447 122.820 -0.103 0.000 1.930 185 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 185 A C 2.425 179.854 177.584 -0.257 0.000 1.175 185 A CA 1.505 53.342 52.037 -0.333 0.000 0.627 185 A CB -0.811 17.832 19.000 -0.595 0.000 0.815 185 A HN 0.561 nan 8.150 nan 0.000 0.443 186 C N -1.349 117.976 119.300 0.042 0.000 2.435 186 C HA -0.006 4.454 4.460 -0.000 0.000 0.279 186 C C 2.728 177.954 174.990 0.393 0.000 1.321 186 C CA 1.167 60.353 59.018 0.280 0.000 1.752 186 C CB -1.263 26.712 27.740 0.392 0.000 1.959 186 C HN 0.713 nan 8.230 nan 0.000 0.500 187 R N 1.552 122.206 120.500 0.256 0.000 2.081 187 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 187 R C 1.941 178.228 176.300 -0.021 0.000 1.131 187 R CA 1.719 57.770 56.100 -0.082 0.000 0.960 187 R CB -0.381 29.777 30.300 -0.235 0.000 0.856 187 R HN 0.609 nan 8.270 nan 0.000 0.436 188 E N -0.630 119.559 120.200 -0.018 0.000 2.150 188 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 188 E C 1.763 178.385 176.600 0.037 0.000 0.985 188 E CA 1.096 57.484 56.400 -0.020 0.000 0.814 188 E CB -0.015 29.649 29.700 -0.060 0.000 0.752 188 E HN 0.274 nan 8.360 nan 0.000 0.466 189 E N 0.995 121.246 120.200 0.085 0.000 2.047 189 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 189 E C 1.888 178.570 176.600 0.136 0.000 0.987 189 E CA 1.311 57.793 56.400 0.137 0.000 0.799 189 E CB -0.215 29.617 29.700 0.221 0.000 0.752 189 E HN 0.232 nan 8.360 nan 0.000 0.449 190 A N 0.806 123.748 122.820 0.203 0.000 1.933 190 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 190 A C 1.981 179.717 177.584 0.253 0.000 1.175 190 A CA 1.611 53.804 52.037 0.261 0.000 0.628 190 A CB -0.683 18.600 19.000 0.472 0.000 0.814 190 A HN 0.235 nan 8.150 nan 0.000 0.444 191 N N 0.001 118.801 118.700 0.168 0.000 2.069 191 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 191 N C 1.857 177.441 175.510 0.124 0.000 1.031 191 N CA 1.575 54.694 53.050 0.115 0.000 0.852 191 N CB -0.411 38.092 38.487 0.027 0.000 1.018 191 N HN 0.542 nan 8.380 nan 0.000 0.423 192 R N 0.373 120.927 120.500 0.091 0.000 2.081 192 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 192 R C 2.141 178.521 176.300 0.133 0.000 1.131 192 R CA 0.698 56.850 56.100 0.086 0.000 0.960 192 R CB -0.458 29.875 30.300 0.055 0.000 0.856 192 R HN 0.130 nan 8.270 nan 0.000 0.436 193 L N 0.675 121.971 121.223 0.122 0.000 2.042 193 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 193 L C 1.972 178.990 176.870 0.246 0.000 1.076 193 L CA 1.632 56.540 54.840 0.113 0.000 0.749 193 L CB -0.228 41.807 42.059 -0.039 0.000 0.893 193 L HN -0.073 nan 8.230 nan 0.000 0.432 194 V N -1.090 118.992 119.914 0.280 0.000 2.488 194 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 194 V C 2.538 178.775 176.094 0.239 0.000 1.046 194 V CA 1.644 64.139 62.300 0.326 0.000 1.053 194 V CB -0.909 31.095 31.823 0.303 0.000 0.679 194 V HN 0.589 nan 8.190 nan 0.000 0.458 195 H N 0.828 119.958 119.070 0.101 0.000 2.387 195 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 195 H C 2.450 177.786 175.328 0.014 0.000 1.090 195 H CA 2.108 58.183 56.048 0.045 0.000 1.332 195 H CB 0.347 30.125 29.762 0.027 0.000 1.386 195 H HN 0.703 nan 8.280 nan 0.000 0.516 196 Q N -0.697 119.162 119.800 0.098 0.000 2.163 196 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 196 Q C -0.021 175.799 176.000 -0.300 0.000 0.954 196 Q CA 0.916 56.658 55.803 -0.102 0.000 0.851 196 Q CB 0.375 29.052 28.738 -0.101 0.000 0.928 196 Q HN 0.372 nan 8.270 nan 0.000 0.459 197 H N 0.854 120.050 119.070 0.210 0.000 2.991 197 H HA 0.225 4.781 4.556 -0.000 0.000 0.304 197 H C 0.142 175.606 175.328 0.226 0.000 1.040 197 H CA -0.327 55.855 56.048 0.224 0.000 1.410 197 H CB 1.316 31.290 29.762 0.353 0.000 1.529 197 H HN 0.377 nan 8.280 nan 0.000 0.509 198 R N 1.659 122.273 120.500 0.190 0.000 2.152 198 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 198 R C 0.359 176.784 176.300 0.208 0.000 1.117 198 R CA 1.267 57.441 56.100 0.122 0.000 0.981 198 R CB 0.002 30.279 30.300 -0.037 0.000 0.870 198 R HN 0.355 nan 8.270 nan 0.000 0.451 199 D N 0.873 121.367 120.400 0.157 0.000 2.200 199 D HA -0.218 4.421 4.640 -0.000 0.000 0.192 199 D C 1.298 177.667 176.300 0.115 0.000 1.008 199 D CA 1.547 55.590 54.000 0.072 0.000 0.872 199 D CB -0.241 40.443 40.800 -0.193 0.000 0.923 199 D HN 0.331 nan 8.370 nan 0.000 0.447 200 F N 1.041 121.151 119.950 0.266 0.000 2.802 200 F HA -0.044 4.483 4.527 -0.001 0.000 0.300 200 F C 1.223 177.232 175.800 0.348 0.000 1.168 200 F CA 0.055 58.197 58.000 0.237 0.000 1.433 200 F CB -0.609 38.520 39.000 0.216 0.000 1.115 200 F HN 0.042 nan 8.300 nan 0.000 0.582 201 H N 0.141 119.400 119.070 0.314 0.000 3.064 201 H HA -0.107 4.449 4.556 -0.000 0.000 0.329 201 H C 0.145 175.636 175.328 0.270 0.000 1.020 201 H CA -0.152 56.021 56.048 0.209 0.000 1.402 201 H CB -0.049 29.754 29.762 0.069 0.000 1.379 201 H HN 0.368 nan 8.280 nan 0.000 0.594 202 F N -0.355 119.645 119.950 0.084 0.000 2.825 202 F HA 0.489 5.016 4.527 -0.000 0.000 0.322 202 F C -0.744 175.127 175.800 0.118 0.000 1.127 202 F CA -0.807 57.242 58.000 0.082 0.000 1.164 202 F CB 0.680 39.787 39.000 0.179 0.000 1.101 202 F HN 0.262 nan 8.300 nan 0.000 0.529 203 E N 3.258 123.328 120.200 -0.217 0.000 2.260 203 E HA 0.353 4.703 4.350 -0.000 0.000 0.266 203 E C -2.527 174.048 176.600 -0.041 0.000 0.887 203 E CA -1.659 54.676 56.400 -0.107 0.000 0.777 203 E CB 1.931 31.494 29.700 -0.229 0.000 1.205 203 E HN 0.083 nan 8.360 nan 0.000 0.414 204 P HA 0.050 nan 4.420 nan 0.000 0.269 204 P C -0.461 176.839 177.300 0.000 0.000 1.209 204 P CA -0.272 62.834 63.100 0.010 0.000 0.776 204 P CB 0.324 32.024 31.700 0.000 0.000 0.876 205 Y N 2.656 122.844 120.300 -0.186 0.000 2.465 205 Y HA 0.054 4.603 4.550 -0.000 0.000 0.331 205 Y C 1.152 176.926 175.900 -0.210 0.000 1.102 205 Y CA 0.094 58.017 58.100 -0.295 0.000 1.358 205 Y CB 0.722 38.662 38.460 -0.866 0.000 1.213 205 Y HN 0.209 nan 8.280 nan 0.000 0.525 206 K N 4.288 124.271 120.400 -0.696 0.000 2.374 206 K HA 0.226 4.546 4.320 -0.000 0.000 0.196 206 K C 1.152 177.360 176.600 -0.654 0.000 1.023 206 K CA 0.600 56.574 56.287 -0.521 0.000 1.103 206 K CB 0.126 32.453 32.500 -0.288 0.000 0.848 206 K HN 1.059 nan 8.250 nan 0.000 0.528 207 G N 1.903 109.920 108.800 -1.306 0.000 2.136 207 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 207 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 207 G C -0.233 174.512 174.900 -0.259 0.000 0.989 207 G CA -0.127 44.540 45.100 -0.722 0.000 0.682 207 G HN 0.184 nan 8.290 nan 0.000 0.522 208 Q N 0.305 119.974 119.800 -0.218 0.000 2.257 208 Q HA 0.644 4.984 4.340 -0.000 0.000 0.255 208 Q C 0.644 176.698 176.000 0.089 0.000 0.920 208 Q CA 0.287 56.073 55.803 -0.027 0.000 0.927 208 Q CB 1.639 30.365 28.738 -0.020 0.000 1.229 208 Q HN 0.856 nan 8.270 nan 0.000 0.433 209 S N -1.151 114.601 115.700 0.088 0.000 3.041 209 S HA 0.141 4.611 4.470 -0.000 0.000 0.250 209 S C 0.350 174.968 174.600 0.030 0.000 0.898 209 S CA -0.404 57.856 58.200 0.100 0.000 1.100 209 S CB 0.008 63.293 63.200 0.143 0.000 1.149 209 S HN 0.486 nan 8.310 nan 0.000 0.540 210 S N 1.284 117.004 115.700 0.033 0.000 2.626 210 S HA 0.682 5.152 4.470 -0.000 0.000 0.257 210 S C 1.410 176.017 174.600 0.011 0.000 1.288 210 S CA -0.111 58.090 58.200 0.003 0.000 0.980 210 S CB 0.547 63.773 63.200 0.042 0.000 0.975 210 S HN 0.939 nan 8.310 nan 0.000 0.577 211 A N -0.384 122.433 122.820 -0.005 0.000 2.239 211 A HA 0.142 4.462 4.320 -0.000 0.000 0.209 211 A C 0.564 178.209 177.584 0.101 0.000 1.171 211 A CA 0.147 52.193 52.037 0.016 0.000 0.768 211 A CB -0.934 18.064 19.000 -0.002 0.000 0.790 211 A HN 0.794 nan 8.150 nan 0.000 0.478 212 Y N 0.204 120.487 120.300 -0.028 0.000 2.632 212 Y HA 0.108 4.658 4.550 -0.001 0.000 0.329 212 Y C 1.091 176.983 175.900 -0.013 0.000 1.174 212 Y CA -0.993 57.088 58.100 -0.033 0.000 1.469 212 Y CB 0.253 38.687 38.460 -0.044 0.000 1.242 212 Y HN 0.197 nan 8.280 nan 0.000 0.540 213 I N 5.792 126.290 120.570 -0.121 0.000 2.335 213 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 213 I C 1.704 177.709 176.117 -0.187 0.000 1.129 213 I CA 1.428 62.658 61.300 -0.118 0.000 1.402 213 I CB -0.394 37.605 38.000 -0.002 0.000 1.069 213 I HN 0.633 nan 8.210 nan 0.000 0.424 214 V N 0.677 120.133 119.914 -0.763 0.000 2.261 214 V HA -0.302 3.817 4.120 -0.000 0.000 0.246 214 V C 2.246 178.180 176.094 -0.265 0.000 1.047 214 V CA 2.227 64.112 62.300 -0.691 0.000 1.015 214 V CB -0.972 30.164 31.823 -1.144 0.000 0.642 214 V HN 0.356 nan 8.190 nan 0.000 0.446 215 D N 0.039 120.283 120.400 -0.260 0.000 2.116 215 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 215 D C 2.296 178.623 176.300 0.046 0.000 0.998 215 D CA 2.044 56.039 54.000 -0.009 0.000 0.836 215 D CB -0.636 40.205 40.800 0.067 0.000 0.951 215 D HN 0.387 nan 8.370 nan 0.000 0.449 216 T N 0.731 115.288 114.554 0.006 0.000 2.684 216 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 216 T C 1.900 176.611 174.700 0.018 0.000 1.036 216 T CA 1.099 63.207 62.100 0.013 0.000 1.148 216 T CB -0.085 68.774 68.868 -0.015 0.000 0.863 216 T HN 0.089 nan 8.240 nan 0.000 0.436 217 M N 1.018 120.647 119.600 0.049 0.000 2.200 217 M HA -0.001 4.479 4.480 -0.000 0.000 0.265 217 M C 2.327 178.635 176.300 0.013 0.000 1.066 217 M CA 1.319 56.633 55.300 0.024 0.000 1.127 217 M CB -1.128 31.527 32.600 0.091 0.000 1.379 217 M HN 0.352 nan 8.290 nan 0.000 0.420 218 Q N -0.615 119.267 119.800 0.136 0.000 2.096 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 218 Q C 1.997 178.064 176.000 0.112 0.000 0.982 218 Q CA 2.060 57.982 55.803 0.199 0.000 0.850 218 Q CB -0.269 28.641 28.738 0.287 0.000 0.901 218 Q HN 0.497 nan 8.270 nan 0.000 0.422 219 T N 0.278 114.912 114.554 0.133 0.000 2.732 219 T HA -0.092 4.258 4.350 -0.000 0.000 0.261 219 T C 2.045 176.745 174.700 0.000 0.000 1.040 219 T CA 1.148 63.276 62.100 0.047 0.000 1.145 219 T CB -0.292 68.710 68.868 0.223 0.000 0.866 219 T HN 0.025 nan 8.240 nan 0.000 0.427 220 V N 1.837 121.734 119.914 -0.030 0.000 2.252 220 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 220 V C 2.546 178.532 176.094 -0.181 0.000 1.056 220 V CA 1.678 63.923 62.300 -0.091 0.000 1.022 220 V CB -0.731 31.005 31.823 -0.146 0.000 0.641 220 V HN 0.427 nan 8.190 nan 0.000 0.445 221 L N -0.669 120.362 121.223 -0.319 0.000 2.046 221 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 221 L C 2.588 179.241 176.870 -0.361 0.000 1.077 221 L CA 2.154 56.678 54.840 -0.526 0.000 0.747 221 L CB -0.880 40.608 42.059 -0.951 0.000 0.896 221 L HN 0.511 nan 8.230 nan 0.000 0.432 222 H N -0.624 118.214 119.070 -0.388 0.000 2.321 222 H HA -0.228 4.328 4.556 -0.000 0.000 0.300 222 H C 2.088 177.258 175.328 -0.264 0.000 1.087 222 H CA 2.057 57.973 56.048 -0.219 0.000 1.319 222 H CB -0.197 29.199 29.762 -0.611 0.000 1.379 222 H HN 0.203 nan 8.280 nan 0.000 0.501 223 Y N -1.112 119.009 120.300 -0.299 0.000 2.263 223 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 223 Y C 2.391 178.181 175.900 -0.183 0.000 1.130 223 Y CA 1.262 59.198 58.100 -0.273 0.000 1.179 223 Y CB -0.873 37.497 38.460 -0.149 0.000 0.998 223 Y HN 0.331 nan 8.280 nan 0.000 0.532 224 Y N -0.544 119.647 120.300 -0.182 0.000 2.165 224 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 224 Y C 1.684 177.454 175.900 -0.217 0.000 1.155 224 Y CA 1.431 59.367 58.100 -0.274 0.000 1.164 224 Y CB -0.835 37.310 38.460 -0.524 0.000 0.978 224 Y HN 0.044 nan 8.280 nan 0.000 0.513 225 F N -0.795 119.019 119.950 -0.227 0.000 2.512 225 F HA -0.001 4.526 4.527 -0.000 0.000 0.296 225 F C 2.262 177.936 175.800 -0.211 0.000 1.110 225 F CA 1.065 58.909 58.000 -0.261 0.000 1.446 225 F CB -0.678 38.298 39.000 -0.040 0.000 1.092 225 F HN 0.067 nan 8.300 nan 0.000 0.554 226 V N -3.188 116.675 119.914 -0.085 0.000 3.650 226 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 226 V C 0.758 176.819 176.094 -0.055 0.000 1.281 226 V CA 0.621 62.857 62.300 -0.107 0.000 1.120 226 V CB -1.173 30.492 31.823 -0.263 0.000 0.856 226 V HN 0.226 nan 8.190 nan 0.000 0.443 227 T N -0.712 113.813 114.554 -0.049 0.000 2.948 227 T HA 0.630 4.979 4.350 -0.000 0.000 0.285 227 T C 0.092 174.793 174.700 0.002 0.000 1.019 227 T CA 0.281 62.374 62.100 -0.013 0.000 1.013 227 T CB 1.850 70.723 68.868 0.009 0.000 1.117 227 T HN 0.465 nan 8.240 nan 0.000 0.533 228 D N -1.517 118.875 120.400 -0.013 0.000 2.562 228 D HA 0.175 4.815 4.640 -0.000 0.000 0.246 228 D C 0.296 176.428 176.300 -0.280 0.000 1.347 228 D CA -0.127 53.869 54.000 -0.006 0.000 0.800 228 D CB -0.079 40.722 40.800 0.002 0.000 1.111 228 D HN 0.813 nan 8.370 nan 0.000 0.508 229 T N -4.380 109.929 114.554 -0.409 0.000 2.864 229 T HA 0.403 4.753 4.350 -0.000 0.000 0.299 229 T C 0.295 174.703 174.700 -0.486 0.000 1.166 229 T CA -0.860 60.832 62.100 -0.680 0.000 1.007 229 T CB 1.086 69.777 68.868 -0.296 0.000 1.219 229 T HN -0.161 nan 8.240 nan 0.000 0.506 230 F N 1.463 121.115 119.950 -0.496 0.000 2.102 230 F HA 0.077 4.604 4.527 -0.001 0.000 0.298 230 F C 2.500 178.343 175.800 0.073 0.000 1.105 230 F CA 1.862 59.859 58.000 -0.005 0.000 1.239 230 F CB -0.068 38.991 39.000 0.098 0.000 0.991 230 F HN 0.731 nan 8.300 nan 0.000 0.474 231 K N 0.211 120.735 120.400 0.207 0.000 2.032 231 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 231 K C 2.277 178.938 176.600 0.101 0.000 1.048 231 K CA 1.970 58.349 56.287 0.154 0.000 0.927 231 K CB -0.369 32.088 32.500 -0.072 0.000 0.712 231 K HN 0.448 nan 8.250 nan 0.000 0.441 232 S N 0.229 115.929 115.700 -0.000 0.000 2.383 232 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 232 S C 2.417 177.002 174.600 -0.026 0.000 1.026 232 S CA 1.033 59.229 58.200 -0.008 0.000 0.981 232 S CB -0.965 62.220 63.200 -0.025 0.000 0.818 232 S HN 0.553 nan 8.310 nan 0.000 0.472 233 C N 1.571 120.841 119.300 -0.051 0.000 2.413 233 C HA 0.054 4.514 4.460 -0.000 0.000 0.276 233 C C 2.613 177.516 174.990 -0.145 0.000 1.236 233 C CA 0.689 59.672 59.018 -0.057 0.000 1.735 233 C CB -1.598 26.132 27.740 -0.016 0.000 2.031 233 C HN 0.571 nan 8.230 nan 0.000 0.474 234 L N 0.532 121.629 121.223 -0.211 0.000 2.056 234 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 234 L C 2.427 179.180 176.870 -0.194 0.000 1.078 234 L CA 1.907 56.595 54.840 -0.254 0.000 0.749 234 L CB -1.270 40.595 42.059 -0.322 0.000 0.901 234 L HN 0.417 nan 8.230 nan 0.000 0.433 235 I N -0.436 120.096 120.570 -0.063 0.000 2.127 235 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 235 I C 2.695 178.723 176.117 -0.149 0.000 1.075 235 I CA 1.268 62.535 61.300 -0.055 0.000 1.334 235 I CB -0.186 37.849 38.000 0.058 0.000 1.040 235 I HN 0.369 nan 8.210 nan 0.000 0.405 236 Q N -0.088 119.596 119.800 -0.192 0.000 2.084 236 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 236 Q C 2.231 177.729 176.000 -0.837 0.000 0.978 236 Q CA 2.197 57.774 55.803 -0.378 0.000 0.844 236 Q CB -0.294 28.314 28.738 -0.217 0.000 0.898 236 Q HN 0.524 nan 8.270 nan 0.000 0.426 237 T N 1.069 115.194 114.554 -0.714 0.000 2.622 237 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 237 T C 2.092 176.576 174.700 -0.360 0.000 1.047 237 T CA 1.883 63.612 62.100 -0.619 0.000 1.159 237 T CB -0.517 68.185 68.868 -0.276 0.000 0.863 237 T HN 0.374 nan 8.240 nan 0.000 0.422 238 V N 1.037 120.800 119.914 -0.252 0.000 2.515 238 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 238 V C 1.819 177.852 176.094 -0.102 0.000 1.058 238 V CA 1.566 63.776 62.300 -0.149 0.000 1.064 238 V CB -0.784 30.966 31.823 -0.122 0.000 0.675 238 V HN 0.399 nan 8.190 nan 0.000 0.461 239 N N 0.564 119.192 118.700 -0.119 0.000 2.550 239 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 239 N C 1.770 177.265 175.510 -0.025 0.000 1.110 239 N CA 1.195 54.217 53.050 -0.047 0.000 0.912 239 N CB 0.043 38.516 38.487 -0.023 0.000 0.968 239 N HN 0.615 nan 8.380 nan 0.000 0.448 240 Q N 1.033 120.795 119.800 -0.064 0.000 2.297 240 Q HA 0.047 4.387 4.340 -0.000 0.000 0.204 240 Q C 0.875 176.912 176.000 0.063 0.000 0.962 240 Q CA 0.903 56.743 55.803 0.062 0.000 0.879 240 Q CB -0.184 28.643 28.738 0.149 0.000 0.947 240 Q HN 0.360 nan 8.270 nan 0.000 0.462 241 G N -1.820 106.988 108.800 0.012 0.000 2.553 241 G HA2 0.064 4.024 3.960 -0.000 0.000 0.242 241 G HA3 0.064 4.024 3.960 -0.000 0.000 0.242 241 G C 0.746 175.640 174.900 -0.010 0.000 1.277 241 G CA 0.189 45.292 45.100 0.005 0.000 0.910 241 G HN 1.257 nan 8.290 nan 0.000 0.576 242 G N -0.328 108.454 108.800 -0.030 0.000 2.561 242 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.289 242 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.289 242 G C 0.386 175.166 174.900 -0.199 0.000 1.169 242 G CA 1.401 46.448 45.100 -0.089 0.000 0.980 242 G HN 2.104 nan 8.290 nan 0.000 0.550 243 D N 2.153 122.440 120.400 -0.188 0.000 2.845 243 D HA 0.604 5.244 4.640 -0.000 0.000 0.235 243 D C 1.589 177.812 176.300 -0.128 0.000 1.158 243 D CA 1.119 54.982 54.000 -0.228 0.000 0.990 243 D CB -0.201 40.492 40.800 -0.178 0.000 1.094 243 D HN 0.813 nan 8.370 nan 0.000 0.486 244 A N 1.768 124.522 122.820 -0.110 0.000 2.066 244 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 244 A C 1.883 179.424 177.584 -0.070 0.000 1.157 244 A CA 1.092 53.083 52.037 -0.077 0.000 0.670 244 A CB -0.137 18.823 19.000 -0.067 0.000 0.804 244 A HN 0.550 nan 8.150 nan 0.000 0.453 245 D N -0.654 119.718 120.400 -0.048 0.000 2.144 245 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 245 D C 1.480 177.752 176.300 -0.048 0.000 0.978 245 D CA 1.855 55.834 54.000 -0.035 0.000 0.833 245 D CB -0.786 40.019 40.800 0.009 0.000 0.961 245 D HN 0.320 nan 8.370 nan 0.000 0.470 246 T N 0.511 115.034 114.554 -0.053 0.000 2.901 246 T HA -0.085 4.265 4.350 -0.000 0.000 0.252 246 T C 2.228 176.884 174.700 -0.073 0.000 1.035 246 T CA 2.046 64.111 62.100 -0.059 0.000 1.142 246 T CB -0.406 68.430 68.868 -0.053 0.000 0.869 246 T HN 0.443 nan 8.240 nan 0.000 0.442 247 T N 0.714 115.226 114.554 -0.071 0.000 2.746 247 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 247 T C 2.302 176.943 174.700 -0.099 0.000 1.039 247 T CA 1.428 63.484 62.100 -0.072 0.000 1.142 247 T CB -1.101 67.741 68.868 -0.043 0.000 0.866 247 T HN 0.368 nan 8.240 nan 0.000 0.444 248 G N 1.339 110.075 108.800 -0.107 0.000 2.418 248 G HA2 0.077 4.036 3.960 -0.000 0.000 0.217 248 G HA3 0.077 4.036 3.960 -0.000 0.000 0.217 248 G C 1.943 176.772 174.900 -0.118 0.000 1.158 248 G CA 0.886 45.904 45.100 -0.136 0.000 0.771 248 G HN 0.748 nan 8.290 nan 0.000 0.545 249 A N 0.624 123.392 122.820 -0.087 0.000 1.883 249 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 249 A C 2.449 179.985 177.584 -0.081 0.000 1.186 249 A CA 1.403 53.403 52.037 -0.062 0.000 0.624 249 A CB -0.464 18.505 19.000 -0.052 0.000 0.822 249 A HN 0.352 nan 8.150 nan 0.000 0.444 250 L N -1.014 120.144 121.223 -0.109 0.000 2.109 250 L HA -0.133 4.206 4.340 -0.000 0.000 0.207 250 L C 3.082 179.844 176.870 -0.179 0.000 1.086 250 L CA 0.902 55.655 54.840 -0.145 0.000 0.760 250 L CB -0.520 41.449 42.059 -0.150 0.000 0.910 250 L HN 0.443 nan 8.230 nan 0.000 0.437 251 A N 0.337 123.056 122.820 -0.167 0.000 1.933 251 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 251 A C 2.384 179.857 177.584 -0.186 0.000 1.175 251 A CA 1.675 53.602 52.037 -0.184 0.000 0.628 251 A CB -1.142 17.763 19.000 -0.158 0.000 0.814 251 A HN 0.438 nan 8.150 nan 0.000 0.444 252 G N -0.742 107.970 108.800 -0.148 0.000 2.408 252 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 252 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 252 G C 1.634 176.619 174.900 0.141 0.000 1.150 252 G CA 1.144 46.233 45.100 -0.018 0.000 0.776 252 G HN 0.495 nan 8.290 nan 0.000 0.542 253 M N -0.100 119.504 119.600 0.006 0.000 2.067 253 M HA 0.015 4.495 4.480 -0.000 0.000 0.260 253 M C 2.498 178.750 176.300 -0.080 0.000 1.069 253 M CA 1.436 56.717 55.300 -0.032 0.000 1.117 253 M CB -0.205 32.325 32.600 -0.116 0.000 1.334 253 M HN 0.212 nan 8.290 nan 0.000 0.407 254 L N -0.002 121.092 121.223 -0.216 0.000 2.027 254 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 254 L C 2.797 179.546 176.870 -0.202 0.000 1.074 254 L CA 1.212 55.808 54.840 -0.406 0.000 0.745 254 L CB -1.020 40.487 42.059 -0.919 0.000 0.898 254 L HN 0.419 nan 8.230 nan 0.000 0.433 255 A N 0.368 123.188 122.820 0.000 0.000 1.902 255 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 255 A C 2.401 180.282 177.584 0.495 0.000 1.181 255 A CA 1.787 54.017 52.037 0.323 0.000 0.623 255 A CB -1.317 17.799 19.000 0.193 0.000 0.818 255 A HN 0.447 nan 8.150 nan 0.000 0.443 256 G N -0.612 108.494 108.800 0.511 0.000 2.418 256 G HA2 0.009 3.969 3.960 -0.000 0.000 0.217 256 G HA3 0.009 3.969 3.960 -0.000 0.000 0.217 256 G C 1.686 176.667 174.900 0.136 0.000 1.158 256 G CA 1.388 46.693 45.100 0.342 0.000 0.771 256 G HN 0.824 nan 8.290 nan 0.000 0.545 257 A N 0.012 122.867 122.820 0.059 0.000 2.014 257 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 257 A C 2.486 180.051 177.584 -0.031 0.000 1.163 257 A CA 2.244 54.278 52.037 -0.005 0.000 0.652 257 A CB -0.489 18.484 19.000 -0.045 0.000 0.808 257 A HN 0.297 nan 8.150 nan 0.000 0.449 258 T N -1.672 112.828 114.554 -0.091 0.000 2.894 258 T HA -0.000 4.349 4.350 -0.000 0.000 0.258 258 T C 1.412 175.936 174.700 -0.294 0.000 1.043 258 T CA 1.471 63.411 62.100 -0.268 0.000 1.141 258 T CB -0.293 68.249 68.868 -0.543 0.000 0.873 258 T HN 0.579 nan 8.240 nan 0.000 0.449 259 Y N 0.930 121.315 120.300 0.141 0.000 2.507 259 Y HA 0.482 5.032 4.550 -0.000 0.000 0.263 259 Y C 1.522 177.453 175.900 0.051 0.000 1.093 259 Y CA -0.257 57.906 58.100 0.105 0.000 1.285 259 Y CB -0.005 38.548 38.460 0.155 0.000 1.115 259 Y HN 0.347 nan 8.280 nan 0.000 0.533 260 G N 0.008 108.897 108.800 0.149 0.000 2.690 260 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 260 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 260 G C 0.454 175.347 174.900 -0.012 0.000 1.277 260 G CA -0.376 44.756 45.100 0.054 0.000 0.799 260 G HN 0.155 nan 8.290 nan 0.000 0.613 261 V N 0.325 120.209 119.914 -0.050 0.000 2.469 261 V HA -0.123 3.997 4.120 -0.000 0.000 0.251 261 V C 2.397 178.420 176.094 -0.119 0.000 1.064 261 V CA 3.116 65.353 62.300 -0.105 0.000 1.066 261 V CB -0.452 31.326 31.823 -0.075 0.000 0.667 261 V HN 0.743 nan 8.190 nan 0.000 0.461 262 D N -0.416 119.943 120.400 -0.067 0.000 2.310 262 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 262 D C 1.633 177.881 176.300 -0.087 0.000 0.965 262 D CA 1.320 55.281 54.000 -0.064 0.000 0.879 262 D CB -0.222 40.562 40.800 -0.028 0.000 0.921 262 D HN 0.562 nan 8.370 nan 0.000 0.510 263 D N -0.622 119.723 120.400 -0.091 0.000 2.340 263 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 263 D C 0.214 176.384 176.300 -0.217 0.000 1.039 263 D CA -0.026 53.920 54.000 -0.090 0.000 0.866 263 D CB 0.317 41.138 40.800 0.036 0.000 0.913 263 D HN 0.138 nan 8.370 nan 0.000 0.523 264 I N 1.944 122.277 120.570 -0.396 0.000 2.396 264 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 264 I C -1.967 173.996 176.117 -0.256 0.000 1.056 264 I CA -1.973 59.009 61.300 -0.529 0.000 1.365 264 I CB 0.924 38.582 38.000 -0.571 0.000 1.407 264 I HN -0.179 nan 8.210 nan 0.000 0.509 265 P HA -0.029 nan 4.420 nan 0.000 0.261 265 P C 0.780 177.948 177.300 -0.219 0.000 1.183 265 P CA 0.079 62.955 63.100 -0.374 0.000 0.761 265 P CB 0.619 31.799 31.700 -0.866 0.000 0.785 266 S N 2.482 118.084 115.700 -0.162 0.000 2.400 266 S HA -0.152 4.317 4.470 -0.000 0.000 0.232 266 S C 2.127 176.697 174.600 -0.051 0.000 1.025 266 S CA 1.331 59.480 58.200 -0.085 0.000 0.993 266 S CB -1.455 61.700 63.200 -0.074 0.000 0.808 266 S HN 0.538 nan 8.310 nan 0.000 0.478 267 G N -0.250 108.486 108.800 -0.107 0.000 2.509 267 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 267 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 267 G C 0.997 175.978 174.900 0.135 0.000 1.124 267 G CA 0.550 45.627 45.100 -0.039 0.000 0.776 267 G HN 0.538 nan 8.290 nan 0.000 0.547 268 W N 0.000 121.295 121.300 -0.009 0.000 2.601 268 W HA 0.369 5.029 4.660 -0.001 0.000 0.292 268 W C 2.353 178.869 176.519 -0.005 0.000 1.153 268 W CA -0.458 56.888 57.345 0.001 0.000 1.448 268 W CB -1.268 28.211 29.460 0.031 0.000 1.113 268 W HN 0.062 nan 8.180 nan 0.000 0.548 269 L N 1.266 122.621 121.223 0.220 0.000 2.021 269 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 269 L C 2.473 179.383 176.870 0.066 0.000 1.074 269 L CA 2.411 57.311 54.840 0.100 0.000 0.760 269 L CB -0.941 41.135 42.059 0.028 0.000 0.889 269 L HN 0.049 nan 8.230 nan 0.000 0.433 270 S N -1.494 114.241 115.700 0.058 0.000 2.515 270 S HA -0.091 4.378 4.470 -0.000 0.000 0.231 270 S C 1.675 176.302 174.600 0.046 0.000 0.987 270 S CA 0.400 58.622 58.200 0.038 0.000 0.936 270 S CB -0.108 63.107 63.200 0.025 0.000 0.766 270 S HN 0.320 nan 8.310 nan 0.000 0.528 271 K N 0.899 121.341 120.400 0.070 0.000 2.400 271 K HA 0.324 4.644 4.320 -0.000 0.000 0.194 271 K C 0.587 177.211 176.600 0.041 0.000 1.033 271 K CA -0.084 56.239 56.287 0.060 0.000 1.021 271 K CB -0.353 32.196 32.500 0.082 0.000 0.808 271 K HN 0.460 nan 8.250 nan 0.000 0.505 272 L N 2.036 123.282 121.223 0.039 0.000 2.483 272 L HA -0.017 4.323 4.340 -0.000 0.000 0.276 272 L C 0.509 177.386 176.870 0.011 0.000 1.213 272 L CA -0.232 54.621 54.840 0.021 0.000 0.843 272 L CB 0.055 42.122 42.059 0.014 0.000 1.107 272 L HN 0.096 nan 8.230 nan 0.000 0.487 273 D N 1.639 122.043 120.400 0.006 0.000 2.493 273 D HA -0.022 4.618 4.640 -0.000 0.000 0.240 273 D C 1.131 177.428 176.300 -0.004 0.000 1.142 273 D CA 0.162 54.163 54.000 0.003 0.000 0.872 273 D CB 0.854 41.656 40.800 0.003 0.000 1.173 273 D HN 0.389 nan 8.370 nan 0.000 0.467 274 M N 2.633 122.231 119.600 -0.003 0.000 2.108 274 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 274 M C 2.017 178.308 176.300 -0.014 0.000 1.066 274 M CA 1.421 56.716 55.300 -0.008 0.000 1.107 274 M CB -0.184 32.413 32.600 -0.004 0.000 1.356 274 M HN 0.473 nan 8.290 nan 0.000 0.406 275 K N 0.097 120.491 120.400 -0.010 0.000 2.057 275 K HA -0.131 4.188 4.320 -0.000 0.000 0.207 275 K C 1.756 178.341 176.600 -0.024 0.000 1.049 275 K CA 1.206 57.486 56.287 -0.012 0.000 0.931 275 K CB 0.034 32.533 32.500 -0.002 0.000 0.714 275 K HN 0.142 nan 8.250 nan 0.000 0.440 276 V N 1.114 121.013 119.914 -0.025 0.000 2.307 276 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 276 V C 2.252 178.299 176.094 -0.078 0.000 1.045 276 V CA 1.978 64.251 62.300 -0.044 0.000 1.024 276 V CB -0.394 31.413 31.823 -0.027 0.000 0.651 276 V HN 0.440 nan 8.190 nan 0.000 0.449 277 E N 0.084 120.248 120.200 -0.060 0.000 2.085 277 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 277 E C 2.467 179.017 176.600 -0.084 0.000 0.994 277 E CA 1.342 57.698 56.400 -0.074 0.000 0.801 277 E CB -0.053 29.622 29.700 -0.042 0.000 0.743 277 E HN 0.477 nan 8.360 nan 0.000 0.453 278 R N 0.120 120.585 120.500 -0.059 0.000 2.081 278 R HA -0.169 4.170 4.340 -0.000 0.000 0.235 278 R C 2.381 178.639 176.300 -0.070 0.000 1.131 278 R CA 1.559 57.629 56.100 -0.050 0.000 0.960 278 R CB -0.208 30.074 30.300 -0.030 0.000 0.856 278 R HN 0.125 nan 8.270 nan 0.000 0.436 279 E N 1.057 121.207 120.200 -0.083 0.000 2.106 279 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 279 E C 1.735 178.220 176.600 -0.192 0.000 0.984 279 E CA 1.117 57.457 56.400 -0.100 0.000 0.806 279 E CB -0.127 29.526 29.700 -0.078 0.000 0.750 279 E HN 0.278 nan 8.360 nan 0.000 0.458 280 I N 0.088 120.480 120.570 -0.297 0.000 2.179 280 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 280 I C 2.527 178.440 176.117 -0.341 0.000 1.088 280 I CA 1.228 62.189 61.300 -0.565 0.000 1.357 280 I CB -0.242 37.392 38.000 -0.610 0.000 1.051 280 I HN 0.075 nan 8.210 nan 0.000 0.409 281 R N 0.152 120.542 120.500 -0.183 0.000 2.081 281 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 281 R C 2.465 178.747 176.300 -0.030 0.000 1.131 281 R CA 1.241 57.292 56.100 -0.082 0.000 0.960 281 R CB -0.384 29.891 30.300 -0.041 0.000 0.856 281 R HN 0.304 nan 8.270 nan 0.000 0.436 282 R N 1.053 121.529 120.500 -0.040 0.000 2.091 282 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 282 R C 2.102 178.409 176.300 0.011 0.000 1.136 282 R CA 1.696 57.792 56.100 -0.007 0.000 0.959 282 R CB 0.001 30.293 30.300 -0.014 0.000 0.856 282 R HN 0.340 nan 8.270 nan 0.000 0.437 283 Q N -0.383 119.407 119.800 -0.016 0.000 2.123 283 Q HA -0.093 4.246 4.340 -0.000 0.000 0.199 283 Q C 2.172 178.243 176.000 0.119 0.000 0.966 283 Q CA 1.419 57.253 55.803 0.052 0.000 0.845 283 Q CB 0.155 28.928 28.738 0.059 0.000 0.907 283 Q HN 0.214 nan 8.270 nan 0.000 0.439 284 V N 1.667 121.639 119.914 0.098 0.000 2.332 284 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 284 V C 1.550 177.717 176.094 0.122 0.000 1.055 284 V CA 2.033 64.410 62.300 0.128 0.000 1.038 284 V CB -0.484 31.363 31.823 0.039 0.000 0.651 284 V HN 0.313 nan 8.190 nan 0.000 0.450 285 D N 0.309 120.785 120.400 0.126 0.000 2.097 285 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 285 D C 2.236 178.597 176.300 0.102 0.000 0.989 285 D CA 1.697 55.781 54.000 0.140 0.000 0.827 285 D CB -0.416 40.453 40.800 0.114 0.000 0.966 285 D HN 0.428 nan 8.370 nan 0.000 0.456 286 A N 0.398 123.271 122.820 0.087 0.000 1.933 286 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 286 A C 2.050 179.694 177.584 0.099 0.000 1.175 286 A CA 0.947 53.033 52.037 0.081 0.000 0.628 286 A CB -0.505 18.538 19.000 0.071 0.000 0.814 286 A HN 0.135 nan 8.150 nan 0.000 0.444 287 L N -0.506 120.786 121.223 0.116 0.000 2.109 287 L HA -0.022 4.317 4.340 -0.000 0.000 0.207 287 L C 2.431 179.365 176.870 0.105 0.000 1.086 287 L CA 1.261 56.176 54.840 0.126 0.000 0.760 287 L CB -1.036 41.105 42.059 0.137 0.000 0.910 287 L HN 0.352 nan 8.230 nan 0.000 0.437 288 L N -1.133 120.148 121.223 0.097 0.000 2.093 288 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 288 L C 2.582 179.496 176.870 0.074 0.000 1.085 288 L CA 1.035 55.922 54.840 0.079 0.000 0.755 288 L CB -0.621 41.503 42.059 0.108 0.000 0.904 288 L HN 0.246 nan 8.230 nan 0.000 0.435 289 A N -0.133 122.735 122.820 0.078 0.000 1.930 289 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 289 A C 2.154 179.784 177.584 0.078 0.000 1.175 289 A CA 1.427 53.503 52.037 0.065 0.000 0.627 289 A CB -0.540 18.494 19.000 0.057 0.000 0.815 289 A HN 0.332 nan 8.150 nan 0.000 0.443 290 L N -0.488 120.799 121.223 0.106 0.000 2.217 290 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 290 L C 2.444 179.433 176.870 0.199 0.000 1.107 290 L CA 1.848 56.778 54.840 0.149 0.000 0.783 290 L CB -0.720 41.454 42.059 0.192 0.000 0.919 290 L HN 0.296 nan 8.230 nan 0.000 0.442 291 A N -0.804 122.101 122.820 0.143 0.000 2.014 291 A HA 0.294 4.614 4.320 -0.000 0.000 0.218 291 A C 1.933 179.582 177.584 0.108 0.000 1.163 291 A CA 1.103 53.200 52.037 0.099 0.000 0.652 291 A CB -0.780 18.208 19.000 -0.020 0.000 0.808 291 A HN 0.890 nan 8.150 nan 0.000 0.449 292 G N -2.493 106.353 108.800 0.076 0.000 2.179 292 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 292 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 292 G C 0.078 174.992 174.900 0.022 0.000 0.990 292 G CA 0.232 45.360 45.100 0.046 0.000 0.646 292 G HN 0.467 nan 8.290 nan 0.000 0.517 293 L N 0.000 121.235 121.223 0.020 0.000 2.949 293 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 293 L CA 0.000 54.847 54.840 0.013 0.000 0.813 293 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 293 L HN 0.000 nan 8.230 nan 0.000 0.502