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 2zct_1_A DATA FIRST_RESID 6 DATA SEQUENCE PLIGERFPEM EVTTDHGVIK LPDHYVSQGK WFVLFSHPAD FTPVXTTEFV DATA SEQUENCE SFARRYEDFQ RLGVDLIGLS VDSVFSHIKW KEWIERHIGV RIPFPIIADP DATA SEQUENCE QGTVARRLGL LXXXXATHTV RGVFIVDARG VIRTMLYYPM ELGRLVDEIL DATA SEQUENCE RIVKALKLGD SLKRAVPADW PNNEIIGEGL IVPPPTTEDQ ARARMESGQY DATA SEQUENCE RSLDWWFCWD TPASRDDVEE ARRYLRRAAE KPAKLLYEEA 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.374 177.300 0.123 0.000 1.155 6 P CA 0.000 63.134 63.100 0.056 0.000 0.800 6 P CB 0.000 31.676 31.700 -0.039 0.000 0.726 7 L N 1.597 122.864 121.223 0.074 0.000 2.421 7 L HA 0.487 4.933 4.340 0.176 0.000 0.263 7 L C 0.989 177.907 176.870 0.079 0.000 1.122 7 L CA -0.667 54.219 54.840 0.076 0.000 0.804 7 L CB 0.116 42.200 42.059 0.041 0.000 1.150 7 L HN 0.417 nan 8.230 nan 0.000 0.457 8 I N -0.642 119.973 120.570 0.074 0.000 2.815 8 I HA 0.353 4.628 4.170 0.176 0.000 0.291 8 I C 1.235 177.373 176.117 0.035 0.000 1.209 8 I CA 0.383 61.719 61.300 0.059 0.000 1.431 8 I CB -0.283 37.747 38.000 0.050 0.000 1.351 8 I HN 0.802 nan 8.210 nan 0.000 0.585 9 G N 3.124 111.937 108.800 0.021 0.000 2.217 9 G HA2 -0.234 3.831 3.960 0.176 0.000 0.246 9 G HA3 -0.234 3.831 3.960 0.176 0.000 0.246 9 G C 0.061 174.966 174.900 0.007 0.000 0.990 9 G CA 0.104 45.208 45.100 0.007 0.000 0.627 9 G HN 0.812 nan 8.290 nan 0.000 0.522 10 E N 0.656 120.867 120.200 0.018 0.000 2.319 10 E HA 0.476 4.931 4.350 0.176 0.000 0.268 10 E C 0.575 177.187 176.600 0.020 0.000 1.050 10 E CA -0.885 55.523 56.400 0.014 0.000 0.878 10 E CB 0.887 30.593 29.700 0.011 0.000 1.066 10 E HN 0.138 nan 8.360 nan 0.000 0.406 11 R N 1.709 122.220 120.500 0.019 0.000 2.590 11 R HA 0.048 4.494 4.340 0.176 0.000 0.274 11 R C -0.360 175.982 176.300 0.071 0.000 1.061 11 R CA -0.038 56.091 56.100 0.047 0.000 1.081 11 R CB 0.235 30.559 30.300 0.040 0.000 0.984 11 R HN 0.448 nan 8.270 nan 0.000 0.448 12 F N 5.673 125.615 119.950 -0.013 0.000 2.578 12 F HA 0.123 4.750 4.527 0.168 0.000 0.376 12 F C -1.627 174.173 175.800 -0.001 0.000 1.085 12 F CA -1.445 56.550 58.000 -0.009 0.000 1.260 12 F CB 0.519 39.550 39.000 0.052 0.000 1.095 12 F HN 0.390 nan 8.300 nan 0.000 0.573 13 P HA -0.046 nan 4.420 nan 0.000 0.263 13 P C -1.014 176.276 177.300 -0.017 0.000 1.195 13 P CA 0.237 63.189 63.100 -0.247 0.000 0.762 13 P CB 0.364 31.831 31.700 -0.389 0.000 0.799 14 E N 4.445 124.671 120.200 0.043 0.000 2.417 14 E HA 0.158 4.613 4.350 0.176 0.000 0.261 14 E C 0.255 176.886 176.600 0.052 0.000 1.000 14 E CA 0.664 57.113 56.400 0.082 0.000 0.919 14 E CB 0.129 29.858 29.700 0.049 0.000 0.955 14 E HN 0.466 nan 8.360 nan 0.000 0.455 15 M N 0.233 119.880 119.600 0.079 0.000 2.490 15 M HA 0.383 4.968 4.480 0.176 0.000 0.286 15 M C -1.020 175.297 176.300 0.029 0.000 1.185 15 M CA -0.866 54.460 55.300 0.044 0.000 0.912 15 M CB 2.057 34.687 32.600 0.050 0.000 1.744 15 M HN 0.127 nan 8.290 nan 0.000 0.494 16 E N 2.114 122.316 120.200 0.003 0.000 2.227 16 E HA 0.638 5.093 4.350 0.176 0.000 0.282 16 E C -1.170 175.416 176.600 -0.024 0.000 1.015 16 E CA -0.794 55.595 56.400 -0.019 0.000 0.823 16 E CB 1.678 31.365 29.700 -0.021 0.000 1.081 16 E HN 0.625 nan 8.360 nan 0.000 0.396 17 V N 0.778 120.664 119.914 -0.048 0.000 2.962 17 V HA 0.591 4.817 4.120 0.176 0.000 0.313 17 V C -0.377 175.676 176.094 -0.069 0.000 1.099 17 V CA -0.812 61.459 62.300 -0.047 0.000 0.971 17 V CB 1.977 33.776 31.823 -0.041 0.000 1.028 17 V HN 0.573 nan 8.190 nan 0.000 0.430 18 T N 3.290 117.810 114.554 -0.058 0.000 2.749 18 T HA 0.655 5.111 4.350 0.176 0.000 0.287 18 T C 0.234 174.894 174.700 -0.067 0.000 0.970 18 T CA 0.192 62.250 62.100 -0.070 0.000 0.980 18 T CB 0.883 69.707 68.868 -0.073 0.000 0.924 18 T HN 1.265 nan 8.240 nan 0.000 0.456 19 T N -0.912 113.596 114.554 -0.076 0.000 2.940 19 T HA 0.394 4.850 4.350 0.176 0.000 0.288 19 T C 0.686 175.365 174.700 -0.036 0.000 1.045 19 T CA -0.904 61.160 62.100 -0.059 0.000 1.018 19 T CB 1.369 70.164 68.868 -0.121 0.000 1.151 19 T HN 0.413 nan 8.240 nan 0.000 0.529 20 D N -1.239 119.161 120.400 -0.001 0.000 2.378 20 D HA -0.052 4.694 4.640 0.176 0.000 0.227 20 D C 0.988 177.395 176.300 0.178 0.000 1.012 20 D CA 0.736 54.765 54.000 0.049 0.000 0.905 20 D CB -0.655 40.198 40.800 0.088 0.000 0.895 20 D HN 0.850 nan 8.370 nan 0.000 0.532 21 H N -1.027 118.004 119.070 -0.065 0.000 2.652 21 H HA 0.438 5.100 4.556 0.178 0.000 0.274 21 H C 0.920 176.202 175.328 -0.077 0.000 1.021 21 H CA -0.244 55.764 56.048 -0.067 0.000 1.187 21 H CB 0.987 30.707 29.762 -0.070 0.000 1.505 21 H HN 0.286 nan 8.280 nan 0.000 0.530 22 G N 0.589 109.407 108.800 0.030 0.000 2.353 22 G HA2 -0.143 3.922 3.960 0.176 0.000 0.615 22 G HA3 -0.143 3.922 3.960 0.176 0.000 0.615 22 G C -1.300 173.555 174.900 -0.075 0.000 1.280 22 G CA -0.767 44.316 45.100 -0.028 0.000 1.000 22 G HN 0.036 nan 8.290 nan 0.000 0.516 23 V N 1.122 120.989 119.914 -0.077 0.000 2.498 23 V HA 0.639 4.864 4.120 0.176 0.000 0.279 23 V C 0.936 176.949 176.094 -0.136 0.000 1.048 23 V CA 0.456 62.701 62.300 -0.093 0.000 0.967 23 V CB 0.584 32.370 31.823 -0.061 0.000 0.988 23 V HN 1.079 nan 8.190 nan 0.000 0.473 24 I N 1.531 121.992 120.570 -0.182 0.000 2.969 24 I HA 0.682 4.957 4.170 0.176 0.000 0.307 24 I C -0.750 175.267 176.117 -0.166 0.000 1.149 24 I CA -1.159 59.990 61.300 -0.253 0.000 1.008 24 I CB 2.273 39.914 38.000 -0.598 0.000 1.232 24 I HN 0.458 nan 8.210 nan 0.000 0.435 25 K N 4.095 124.422 120.400 -0.122 0.000 2.213 25 K HA 0.647 5.073 4.320 0.176 0.000 0.270 25 K C -1.543 175.011 176.600 -0.077 0.000 1.002 25 K CA -0.597 55.651 56.287 -0.065 0.000 0.868 25 K CB 1.281 33.766 32.500 -0.025 0.000 1.093 25 K HN 0.686 nan 8.250 nan 0.000 0.454 26 L N 6.176 127.378 121.223 -0.035 0.000 2.331 26 L HA 0.433 4.879 4.340 0.176 0.000 0.275 26 L C -1.565 175.392 176.870 0.146 0.000 1.022 26 L CA -2.135 52.686 54.840 -0.032 0.000 0.812 26 L CB 1.899 43.927 42.059 -0.051 0.000 1.257 26 L HN 0.624 nan 8.230 nan 0.000 0.435 27 P HA 0.026 nan 4.420 nan 0.000 0.249 27 P C 0.241 177.594 177.300 0.088 0.000 1.229 27 P CA 0.226 63.404 63.100 0.131 0.000 0.788 27 P CB 0.302 32.203 31.700 0.336 0.000 1.072 28 D N -0.165 120.264 120.400 0.049 0.000 2.149 28 D HA -0.236 4.510 4.640 0.176 0.000 0.194 28 D C 1.849 178.117 176.300 -0.052 0.000 1.001 28 D CA 1.412 55.420 54.000 0.013 0.000 0.849 28 D CB -1.212 39.590 40.800 0.004 0.000 0.939 28 D HN 0.331 nan 8.370 nan 0.000 0.449 29 H N -1.256 117.664 119.070 -0.249 0.000 2.390 29 H HA -0.186 4.475 4.556 0.174 0.000 0.298 29 H C 1.436 176.473 175.328 -0.486 0.000 1.106 29 H CA 1.754 57.541 56.048 -0.435 0.000 1.297 29 H CB -0.115 29.227 29.762 -0.699 0.000 1.375 29 H HN 0.331 nan 8.280 nan 0.000 0.509 30 Y N -1.937 118.322 120.300 -0.067 0.000 2.343 30 Y HA -0.009 4.651 4.550 0.183 0.000 0.294 30 Y C 2.649 178.560 175.900 0.020 0.000 1.122 30 Y CA 0.542 58.628 58.100 -0.023 0.000 1.173 30 Y CB -0.092 38.402 38.460 0.057 0.000 1.077 30 Y HN -0.008 nan 8.280 nan 0.000 0.542 31 V N 0.377 120.395 119.914 0.173 0.000 2.278 31 V HA -0.368 3.857 4.120 0.176 0.000 0.251 31 V C 2.330 178.449 176.094 0.041 0.000 1.062 31 V CA 2.452 64.811 62.300 0.099 0.000 1.038 31 V CB -1.104 30.763 31.823 0.073 0.000 0.646 31 V HN 0.590 nan 8.190 nan 0.000 0.447 32 S N -0.608 115.083 115.700 -0.016 0.000 2.507 32 S HA -0.171 4.404 4.470 0.176 0.000 0.235 32 S C 1.593 176.167 174.600 -0.043 0.000 0.988 32 S CA 1.062 59.237 58.200 -0.041 0.000 0.944 32 S CB -0.312 62.838 63.200 -0.083 0.000 0.762 32 S HN 0.767 nan 8.310 nan 0.000 0.526 33 Q N 0.351 120.132 119.800 -0.033 0.000 2.282 33 Q HA 0.331 4.777 4.340 0.176 0.000 0.206 33 Q C 1.080 177.118 176.000 0.064 0.000 0.878 33 Q CA 0.141 55.942 55.803 -0.003 0.000 0.944 33 Q CB 0.393 29.119 28.738 -0.021 0.000 1.100 33 Q HN 0.717 nan 8.270 nan 0.000 0.509 34 G N 1.925 110.776 108.800 0.085 0.000 2.179 34 G HA2 -0.235 3.830 3.960 0.176 0.000 0.257 34 G HA3 -0.235 3.830 3.960 0.176 0.000 0.257 34 G C -0.115 174.905 174.900 0.200 0.000 1.010 34 G CA 0.180 45.353 45.100 0.123 0.000 0.736 34 G HN -0.002 nan 8.290 nan 0.000 0.513 35 K N -0.686 119.857 120.400 0.238 0.000 2.159 35 K HA 0.447 4.872 4.320 0.176 0.000 0.266 35 K C 0.201 177.042 176.600 0.401 0.000 0.975 35 K CA -0.854 55.628 56.287 0.324 0.000 0.865 35 K CB 0.904 33.612 32.500 0.348 0.000 1.087 35 K HN 0.183 nan 8.250 nan 0.000 0.446 36 W N 3.054 124.409 121.300 0.092 0.000 2.086 36 W HA 0.285 5.041 4.660 0.161 0.000 0.355 36 W C 0.530 177.055 176.519 0.011 0.000 1.313 36 W CA -0.138 57.224 57.345 0.029 0.000 1.358 36 W CB 0.078 29.532 29.460 -0.010 0.000 1.166 36 W HN 0.459 nan 8.180 nan 0.000 0.630 37 F N -1.176 118.749 119.950 -0.042 0.000 2.601 37 F HA 0.746 5.384 4.527 0.184 0.000 0.309 37 F C -1.458 174.233 175.800 -0.180 0.000 1.089 37 F CA -1.702 56.104 58.000 -0.323 0.000 0.940 37 F CB 0.648 39.088 39.000 -0.935 0.000 1.273 37 F HN -0.058 nan 8.300 nan 0.000 0.450 38 V N 4.012 123.881 119.914 -0.075 0.000 2.357 38 V HA 0.404 4.629 4.120 0.176 0.000 0.284 38 V C -0.516 175.564 176.094 -0.023 0.000 1.018 38 V CA -0.638 61.631 62.300 -0.051 0.000 0.841 38 V CB 1.420 33.219 31.823 -0.040 0.000 0.991 38 V HN 0.867 nan 8.190 nan 0.000 0.437 39 L N 7.289 128.541 121.223 0.049 0.000 2.272 39 L HA 0.717 5.163 4.340 0.176 0.000 0.289 39 L C -0.996 175.902 176.870 0.045 0.000 1.032 39 L CA -0.339 54.478 54.840 -0.038 0.000 0.810 39 L CB 0.715 42.876 42.059 0.170 0.000 1.205 39 L HN 0.669 nan 8.230 nan 0.000 0.422 40 F N 1.828 121.723 119.950 -0.093 0.000 2.540 40 F HA 0.753 5.383 4.527 0.172 0.000 0.317 40 F C -0.333 175.454 175.800 -0.021 0.000 1.104 40 F CA -0.771 57.185 58.000 -0.073 0.000 0.913 40 F CB 1.390 40.309 39.000 -0.136 0.000 1.170 40 F HN 0.216 nan 8.300 nan 0.000 0.450 41 S N 1.615 117.310 115.700 -0.007 0.000 2.578 41 S HA 0.593 5.169 4.470 0.176 0.000 0.301 41 S C -1.271 173.127 174.600 -0.337 0.000 1.091 41 S CA -0.714 57.471 58.200 -0.025 0.000 1.032 41 S CB 1.121 64.382 63.200 0.102 0.000 1.064 41 S HN 0.672 nan 8.310 nan 0.000 0.508 42 H N 0.494 119.705 119.070 0.235 0.000 2.865 42 H HA 0.246 4.911 4.556 0.181 0.000 0.362 42 H C -2.368 173.058 175.328 0.164 0.000 1.114 42 H CA -1.584 54.596 56.048 0.221 0.000 1.208 42 H CB 1.892 31.826 29.762 0.286 0.000 1.727 42 H HN 0.265 nan 8.280 nan 0.000 0.534 43 P HA -0.017 nan 4.420 nan 0.000 0.218 43 P C -0.135 177.228 177.300 0.105 0.000 1.149 43 P CA 1.137 64.327 63.100 0.149 0.000 0.817 43 P CB 0.731 32.526 31.700 0.158 0.000 0.785 44 A N -1.803 121.059 122.820 0.070 0.000 2.583 44 A HA 0.438 4.864 4.320 0.176 0.000 0.292 44 A C -1.519 175.878 177.584 -0.312 0.000 1.045 44 A CA -0.700 51.310 52.037 -0.044 0.000 0.672 44 A CB 0.311 19.279 19.000 -0.055 0.000 1.283 44 A HN -0.227 nan 8.150 nan 0.000 0.419 45 D N -0.384 119.732 120.400 -0.474 0.000 2.377 45 D HA 0.575 5.321 4.640 0.176 0.000 0.245 45 D C 0.197 175.730 176.300 -1.279 0.000 1.196 45 D CA 0.233 53.393 54.000 -1.400 0.000 0.962 45 D CB -0.117 40.253 40.800 -0.717 0.000 1.127 45 D HN 0.555 nan 8.370 nan 0.000 0.471 46 F N -1.368 117.301 119.950 -2.135 0.000 3.027 46 F HA -0.233 4.400 4.527 0.177 0.000 0.276 46 F C 0.388 175.778 175.800 -0.683 0.000 0.967 46 F CA 0.482 57.795 58.000 -1.146 0.000 0.929 46 F CB -2.032 36.545 39.000 -0.705 0.000 0.873 46 F HN 0.152 nan 8.300 nan 0.000 0.787 47 T N -2.307 111.940 114.554 -0.513 0.000 2.863 47 T HA 0.530 4.985 4.350 0.176 0.000 0.285 47 T C -1.201 173.463 174.700 -0.061 0.000 1.009 47 T CA -1.604 60.372 62.100 -0.206 0.000 0.989 47 T CB 2.855 71.628 68.868 -0.158 0.000 1.004 47 T HN -0.111 nan 8.240 nan 0.000 0.455 48 P HA 0.020 nan 4.420 nan 0.000 0.215 48 P C 0.975 178.303 177.300 0.046 0.000 1.157 48 P CA 0.274 63.382 63.100 0.014 0.000 0.856 48 P CB -0.013 31.689 31.700 0.002 0.000 0.786 52 T N 1.522 116.126 114.554 0.084 0.000 2.788 52 T HA -0.080 4.375 4.350 0.176 0.000 0.268 52 T C 1.530 176.292 174.700 0.103 0.000 1.044 52 T CA 1.950 64.107 62.100 0.096 0.000 1.139 52 T CB -0.342 68.569 68.868 0.071 0.000 0.867 52 T HN 0.500 nan 8.240 nan 0.000 0.454 53 E N 0.251 120.526 120.200 0.126 0.000 2.072 53 E HA 0.007 4.462 4.350 0.176 0.000 0.191 53 E C 1.939 178.781 176.600 0.404 0.000 0.985 53 E CA 0.913 57.422 56.400 0.180 0.000 0.801 53 E CB -0.281 29.590 29.700 0.284 0.000 0.750 53 E HN 0.413 nan 8.360 nan 0.000 0.452 54 F N 0.751 120.793 119.950 0.153 0.000 2.120 54 F HA -0.214 4.414 4.527 0.169 0.000 0.300 54 F C 2.312 178.245 175.800 0.222 0.000 1.095 54 F CA 0.735 58.878 58.000 0.238 0.000 1.249 54 F CB -1.003 37.950 39.000 -0.077 0.000 0.995 54 F HN -0.104 nan 8.300 nan 0.000 0.480 55 V N -1.328 118.768 119.914 0.302 0.000 2.358 55 V HA -0.250 3.976 4.120 0.176 0.000 0.246 55 V C 2.555 178.742 176.094 0.156 0.000 1.047 55 V CA 1.848 64.260 62.300 0.185 0.000 1.035 55 V CB -0.834 31.076 31.823 0.145 0.000 0.658 55 V HN 0.388 nan 8.190 nan 0.000 0.452 56 S N -0.557 115.208 115.700 0.108 0.000 2.348 56 S HA -0.199 4.377 4.470 0.176 0.000 0.221 56 S C 1.910 176.521 174.600 0.018 0.000 1.033 56 S CA 1.847 60.047 58.200 -0.000 0.000 1.010 56 S CB -0.441 62.677 63.200 -0.136 0.000 0.891 56 S HN 0.511 nan 8.310 nan 0.000 0.442 57 F N 1.742 121.713 119.950 0.035 0.000 2.095 57 F HA -0.104 4.521 4.527 0.163 0.000 0.298 57 F C 2.675 178.609 175.800 0.224 0.000 1.104 57 F CA 1.090 59.096 58.000 0.010 0.000 1.232 57 F CB -0.656 38.125 39.000 -0.365 0.000 0.987 57 F HN 0.303 nan 8.300 nan 0.000 0.475 58 A N 0.270 123.374 122.820 0.474 0.000 1.883 58 A HA -0.235 4.190 4.320 0.176 0.000 0.217 58 A C 2.178 179.918 177.584 0.261 0.000 1.186 58 A CA 1.811 54.041 52.037 0.322 0.000 0.624 58 A CB -0.798 18.272 19.000 0.116 0.000 0.822 58 A HN 0.323 nan 8.150 nan 0.000 0.444 59 R N -0.944 119.672 120.500 0.195 0.000 2.159 59 R HA -0.089 4.357 4.340 0.176 0.000 0.237 59 R C 1.673 178.077 176.300 0.172 0.000 1.131 59 R CA 1.528 57.717 56.100 0.149 0.000 0.982 59 R CB -0.191 30.166 30.300 0.096 0.000 0.868 59 R HN 0.453 nan 8.270 nan 0.000 0.453 60 R N -0.966 119.672 120.500 0.229 0.000 2.427 60 R HA 0.023 4.468 4.340 0.176 0.000 0.262 60 R C 1.011 177.547 176.300 0.393 0.000 0.943 60 R CA -0.160 56.072 56.100 0.221 0.000 1.081 60 R CB 0.140 30.537 30.300 0.161 0.000 1.166 60 R HN 0.195 nan 8.270 nan 0.000 0.534 61 Y N 1.989 122.463 120.300 0.291 0.000 2.165 61 Y HA -0.263 4.391 4.550 0.173 0.000 0.286 61 Y C 2.169 178.221 175.900 0.253 0.000 1.155 61 Y CA 1.899 60.189 58.100 0.316 0.000 1.164 61 Y CB 0.059 38.663 38.460 0.240 0.000 0.978 61 Y HN 0.091 nan 8.280 nan 0.000 0.513 62 E N -0.421 119.877 120.200 0.163 0.000 2.110 62 E HA -0.229 4.227 4.350 0.176 0.000 0.193 62 E C 1.654 178.254 176.600 0.001 0.000 0.988 62 E CA 1.486 57.907 56.400 0.035 0.000 0.804 62 E CB -0.115 29.636 29.700 0.085 0.000 0.745 62 E HN 0.482 nan 8.360 nan 0.000 0.458 63 D N -0.351 120.055 120.400 0.011 0.000 2.117 63 D HA -0.149 4.596 4.640 0.176 0.000 0.197 63 D C 1.637 177.842 176.300 -0.157 0.000 0.987 63 D CA 0.931 54.885 54.000 -0.076 0.000 0.829 63 D CB -0.321 40.382 40.800 -0.162 0.000 0.961 63 D HN 0.238 nan 8.370 nan 0.000 0.460 64 F N 0.980 120.876 119.950 -0.089 0.000 2.146 64 F HA -0.141 4.482 4.527 0.160 0.000 0.298 64 F C 2.648 178.359 175.800 -0.148 0.000 1.096 64 F CA 0.722 58.654 58.000 -0.114 0.000 1.275 64 F CB -0.085 38.868 39.000 -0.079 0.000 1.008 64 F HN -0.143 nan 8.300 nan 0.000 0.480 65 Q N 0.218 119.987 119.800 -0.050 0.000 2.096 65 Q HA -0.219 4.227 4.340 0.176 0.000 0.204 65 Q C 2.289 178.263 176.000 -0.044 0.000 0.982 65 Q CA 1.331 57.061 55.803 -0.122 0.000 0.850 65 Q CB -0.633 27.950 28.738 -0.258 0.000 0.901 65 Q HN 0.399 nan 8.270 nan 0.000 0.422 66 R N 0.253 120.731 120.500 -0.036 0.000 2.105 66 R HA -0.062 4.384 4.340 0.176 0.000 0.239 66 R C 2.108 178.394 176.300 -0.023 0.000 1.135 66 R CA 0.820 56.909 56.100 -0.020 0.000 0.967 66 R CB -0.117 30.176 30.300 -0.012 0.000 0.861 66 R HN 0.215 nan 8.270 nan 0.000 0.442 67 L N -0.427 120.774 121.223 -0.037 0.000 2.552 67 L HA 0.123 4.568 4.340 0.176 0.000 0.227 67 L C 0.929 177.753 176.870 -0.077 0.000 1.146 67 L CA 0.581 55.378 54.840 -0.072 0.000 0.858 67 L CB 0.162 42.152 42.059 -0.114 0.000 0.969 67 L HN 0.582 nan 8.230 nan 0.000 0.451 68 G N 0.662 109.452 108.800 -0.016 0.000 2.212 68 G HA2 -0.222 3.843 3.960 0.176 0.000 0.255 68 G HA3 -0.222 3.843 3.960 0.176 0.000 0.255 68 G C -0.182 174.765 174.900 0.078 0.000 1.062 68 G CA 0.061 45.179 45.100 0.031 0.000 0.815 68 G HN 0.121 nan 8.290 nan 0.000 0.497 69 V N 0.531 120.496 119.914 0.085 0.000 2.448 69 V HA 0.513 4.738 4.120 0.176 0.000 0.295 69 V C -0.210 175.941 176.094 0.093 0.000 1.025 69 V CA -1.075 61.314 62.300 0.148 0.000 0.859 69 V CB 1.852 33.809 31.823 0.223 0.000 0.988 69 V HN 0.267 nan 8.190 nan 0.000 0.431 70 D N 3.262 123.690 120.400 0.047 0.000 2.340 70 D HA 0.653 5.398 4.640 0.176 0.000 0.251 70 D C -0.473 175.731 176.300 -0.160 0.000 1.080 70 D CA -0.157 53.835 54.000 -0.013 0.000 0.971 70 D CB 2.042 42.865 40.800 0.038 0.000 1.137 70 D HN 0.294 nan 8.370 nan 0.000 0.475 71 L N 1.297 122.441 121.223 -0.132 0.000 2.354 71 L HA 0.635 5.080 4.340 0.176 0.000 0.269 71 L C -0.392 176.261 176.870 -0.361 0.000 1.005 71 L CA -0.854 53.795 54.840 -0.318 0.000 0.819 71 L CB 2.283 44.069 42.059 -0.455 0.000 1.311 71 L HN 0.219 nan 8.230 nan 0.000 0.423 72 I N 0.917 121.102 120.570 -0.643 0.000 2.627 72 I HA 0.512 4.787 4.170 0.176 0.000 0.288 72 I C -0.188 175.205 176.117 -1.206 0.000 1.202 72 I CA -0.136 60.778 61.300 -0.643 0.000 1.050 72 I CB 1.758 39.532 38.000 -0.378 0.000 1.264 72 I HN 0.636 nan 8.210 nan 0.000 0.429 73 G N 5.940 114.090 108.800 -1.082 0.000 2.528 73 G HA2 0.618 4.684 3.960 0.176 0.000 0.289 73 G HA3 0.618 4.684 3.960 0.176 0.000 0.289 73 G C -1.554 173.141 174.900 -0.342 0.000 1.192 73 G CA -0.496 44.019 45.100 -0.975 0.000 0.921 73 G HN 0.600 nan 8.290 nan 0.000 0.512 74 L N -0.056 121.139 121.223 -0.047 0.000 2.505 74 L HA 0.739 5.184 4.340 0.176 0.000 0.266 74 L C -0.551 176.472 176.870 0.255 0.000 0.954 74 L CA -0.437 54.456 54.840 0.088 0.000 0.852 74 L CB 2.165 44.266 42.059 0.070 0.000 1.282 74 L HN 0.620 nan 8.230 nan 0.000 0.403 75 S N 3.092 118.961 115.700 0.282 0.000 2.540 75 S HA 0.660 5.235 4.470 0.176 0.000 0.275 75 S C -0.956 173.844 174.600 0.332 0.000 1.123 75 S CA -0.546 57.858 58.200 0.341 0.000 0.907 75 S CB 1.744 65.171 63.200 0.378 0.000 1.081 75 S HN 0.505 nan 8.310 nan 0.000 0.476 76 V N 4.869 124.920 119.914 0.228 0.000 2.055 76 V HA 0.402 4.627 4.120 0.176 0.000 0.248 76 V C -0.156 176.023 176.094 0.142 0.000 1.476 76 V CA 0.208 62.600 62.300 0.152 0.000 1.417 76 V CB -1.076 30.805 31.823 0.096 0.000 1.465 76 V HN 0.721 nan 8.190 nan 0.000 0.502 77 D N 0.285 120.792 120.400 0.177 0.000 2.692 77 D HA 0.329 5.074 4.640 0.176 0.000 0.290 77 D C -0.300 175.911 176.300 -0.148 0.000 1.281 77 D CA -0.285 53.767 54.000 0.086 0.000 0.804 77 D CB 2.386 43.293 40.800 0.178 0.000 1.331 77 D HN 0.419 nan 8.370 nan 0.000 0.432 78 S N -0.855 114.750 115.700 -0.159 0.000 2.614 78 S HA 0.184 4.759 4.470 0.176 0.000 0.265 78 S C 1.279 175.539 174.600 -0.566 0.000 1.303 78 S CA -0.536 57.505 58.200 -0.265 0.000 1.000 78 S CB 1.379 64.581 63.200 0.004 0.000 0.935 78 S HN 0.282 nan 8.310 nan 0.000 0.551 79 V N 1.292 120.843 119.914 -0.604 0.000 2.392 79 V HA -0.113 4.112 4.120 0.176 0.000 0.249 79 V C 1.742 177.595 176.094 -0.401 0.000 1.059 79 V CA 1.908 63.864 62.300 -0.574 0.000 1.051 79 V CB -1.152 30.323 31.823 -0.579 0.000 0.658 79 V HN 0.844 nan 8.190 nan 0.000 0.455 80 F N 0.004 119.952 119.950 -0.003 0.000 2.102 80 F HA -0.146 4.488 4.527 0.177 0.000 0.298 80 F C 2.894 178.776 175.800 0.138 0.000 1.105 80 F CA 1.648 59.688 58.000 0.067 0.000 1.239 80 F CB -1.164 37.866 39.000 0.050 0.000 0.991 80 F HN 0.150 nan 8.300 nan 0.000 0.474 81 S N -0.599 115.273 115.700 0.287 0.000 2.370 81 S HA -0.237 4.338 4.470 0.176 0.000 0.226 81 S C 2.031 176.880 174.600 0.416 0.000 1.033 81 S CA 1.594 60.002 58.200 0.346 0.000 1.011 81 S CB -0.460 62.904 63.200 0.273 0.000 0.852 81 S HN 0.357 nan 8.310 nan 0.000 0.457 82 H N 1.280 120.477 119.070 0.212 0.000 2.319 82 H HA -0.002 4.661 4.556 0.177 0.000 0.299 82 H C 2.102 177.545 175.328 0.192 0.000 1.092 82 H CA 1.722 57.909 56.048 0.233 0.000 1.302 82 H CB -0.774 29.066 29.762 0.130 0.000 1.373 82 H HN 0.439 nan 8.280 nan 0.000 0.497 83 I N 0.296 121.038 120.570 0.287 0.000 2.252 83 I HA -0.222 4.054 4.170 0.176 0.000 0.245 83 I C 2.228 178.496 176.117 0.251 0.000 1.102 83 I CA 0.987 62.413 61.300 0.210 0.000 1.385 83 I CB -0.125 37.980 38.000 0.174 0.000 1.064 83 I HN 0.071 nan 8.210 nan 0.000 0.414 84 K N 0.035 120.633 120.400 0.329 0.000 2.063 84 K HA -0.235 4.191 4.320 0.176 0.000 0.208 84 K C 1.773 178.661 176.600 0.480 0.000 1.048 84 K CA 1.310 57.851 56.287 0.423 0.000 0.928 84 K CB -0.721 32.089 32.500 0.516 0.000 0.713 84 K HN 0.420 nan 8.250 nan 0.000 0.442 85 W N 2.603 123.892 121.300 -0.019 0.000 2.355 85 W HA -0.141 4.622 4.660 0.172 0.000 0.309 85 W C 1.711 178.222 176.519 -0.013 0.000 1.206 85 W CA 1.335 58.404 57.345 -0.461 0.000 1.284 85 W CB -0.375 28.666 29.460 -0.699 0.000 1.145 85 W HN 0.029 nan 8.180 nan 0.000 0.502 86 K N -0.081 120.383 120.400 0.107 0.000 2.097 86 K HA -0.194 4.231 4.320 0.176 0.000 0.206 86 K C 1.916 178.576 176.600 0.100 0.000 1.049 86 K CA 1.879 58.157 56.287 -0.016 0.000 0.933 86 K CB -0.394 32.057 32.500 -0.082 0.000 0.717 86 K HN 0.220 nan 8.250 nan 0.000 0.442 87 E N -0.137 120.173 120.200 0.183 0.000 2.085 87 E HA -0.239 4.217 4.350 0.176 0.000 0.194 87 E C 1.755 178.521 176.600 0.276 0.000 0.994 87 E CA 1.320 57.836 56.400 0.194 0.000 0.801 87 E CB -0.172 29.659 29.700 0.219 0.000 0.743 87 E HN 0.418 nan 8.360 nan 0.000 0.453 88 W N 1.522 122.979 121.300 0.262 0.000 2.355 88 W HA -0.179 4.586 4.660 0.175 0.000 0.309 88 W C 1.878 178.592 176.519 0.325 0.000 1.206 88 W CA 1.469 59.050 57.345 0.394 0.000 1.284 88 W CB -0.167 29.582 29.460 0.483 0.000 1.145 88 W HN -0.063 nan 8.180 nan 0.000 0.502 89 I N 0.444 121.345 120.570 0.552 0.000 2.163 89 I HA -0.340 3.935 4.170 0.176 0.000 0.243 89 I C 2.462 178.597 176.117 0.031 0.000 1.085 89 I CA 2.125 63.607 61.300 0.303 0.000 1.347 89 I CB -0.876 37.247 38.000 0.205 0.000 1.044 89 I HN 0.123 nan 8.210 nan 0.000 0.408 90 E N 1.311 121.518 120.200 0.012 0.000 2.051 90 E HA -0.284 4.171 4.350 0.176 0.000 0.192 90 E C 2.409 178.942 176.600 -0.112 0.000 0.991 90 E CA 1.280 57.652 56.400 -0.047 0.000 0.799 90 E CB -0.044 29.632 29.700 -0.039 0.000 0.748 90 E HN 0.303 nan 8.360 nan 0.000 0.449 91 R N -0.784 119.619 120.500 -0.161 0.000 2.075 91 R HA -0.129 4.316 4.340 0.176 0.000 0.232 91 R C 2.058 178.044 176.300 -0.524 0.000 1.126 91 R CA 1.695 57.598 56.100 -0.329 0.000 0.963 91 R CB -0.094 29.984 30.300 -0.370 0.000 0.858 91 R HN 0.378 nan 8.270 nan 0.000 0.435 92 H N -1.027 117.749 119.070 -0.490 0.000 2.516 92 H HA 0.126 4.788 4.556 0.175 0.000 0.284 92 H C 1.812 176.927 175.328 -0.354 0.000 0.999 92 H CA 0.967 56.665 56.048 -0.582 0.000 1.303 92 H CB 0.585 29.592 29.762 -1.257 0.000 1.452 92 H HN 0.233 nan 8.280 nan 0.000 0.530 93 I N -0.530 119.941 120.570 -0.166 0.000 3.854 93 I HA 0.106 4.381 4.170 0.176 0.000 0.312 93 I C 1.396 177.494 176.117 -0.031 0.000 1.273 93 I CA 0.580 61.863 61.300 -0.028 0.000 1.298 93 I CB 0.676 38.719 38.000 0.072 0.000 1.071 93 I HN 0.260 nan 8.210 nan 0.000 0.428 94 G N 1.885 110.644 108.800 -0.068 0.000 2.143 94 G HA2 -0.210 3.856 3.960 0.176 0.000 0.248 94 G HA3 -0.210 3.856 3.960 0.176 0.000 0.248 94 G C 0.040 174.921 174.900 -0.033 0.000 0.991 94 G CA 0.051 45.117 45.100 -0.057 0.000 0.689 94 G HN 0.179 nan 8.290 nan 0.000 0.522 95 V N 0.763 120.663 119.914 -0.023 0.000 2.444 95 V HA 0.517 4.742 4.120 0.176 0.000 0.294 95 V C 0.696 176.763 176.094 -0.045 0.000 1.022 95 V CA -0.998 61.293 62.300 -0.015 0.000 0.850 95 V CB 1.679 33.513 31.823 0.019 0.000 0.992 95 V HN 0.437 nan 8.190 nan 0.000 0.426 96 R N 4.778 125.237 120.500 -0.068 0.000 2.340 96 R HA 0.394 4.839 4.340 0.176 0.000 0.300 96 R C -0.730 175.451 176.300 -0.199 0.000 1.069 96 R CA -0.642 55.390 56.100 -0.114 0.000 0.984 96 R CB 0.642 30.882 30.300 -0.101 0.000 1.003 96 R HN 0.526 nan 8.270 nan 0.000 0.459 97 I N 8.591 128.982 120.570 -0.298 0.000 2.308 97 I HA 0.149 4.424 4.170 0.176 0.000 0.293 97 I C -1.342 174.382 176.117 -0.654 0.000 1.078 97 I CA -2.581 58.366 61.300 -0.587 0.000 1.292 97 I CB 1.123 38.683 38.000 -0.732 0.000 1.423 97 I HN 0.597 nan 8.210 nan 0.000 0.493 98 P HA 0.007 nan 4.420 nan 0.000 0.235 98 P C 0.088 177.156 177.300 -0.387 0.000 1.177 98 P CA 0.477 63.250 63.100 -0.545 0.000 0.785 98 P CB 0.157 31.345 31.700 -0.853 0.000 0.885 99 F N 0.731 120.481 119.950 -0.333 0.000 2.399 99 F HA 0.749 5.387 4.527 0.185 0.000 0.328 99 F C -2.574 172.906 175.800 -0.535 0.000 1.084 99 F CA -3.997 53.825 58.000 -0.296 0.000 1.053 99 F CB -0.690 38.166 39.000 -0.241 0.000 1.209 99 F HN -0.299 nan 8.300 nan 0.000 0.502 100 P HA 0.300 nan 4.420 nan 0.000 0.272 100 P C -0.778 176.309 177.300 -0.355 0.000 1.223 100 P CA -0.002 62.612 63.100 -0.811 0.000 0.784 100 P CB 1.505 32.825 31.700 -0.635 0.000 0.923 101 I N 1.977 122.373 120.570 -0.290 0.000 2.465 101 I HA 0.347 4.622 4.170 0.176 0.000 0.291 101 I C 0.614 176.725 176.117 -0.010 0.000 1.014 101 I CA -1.138 60.046 61.300 -0.194 0.000 1.093 101 I CB 1.593 39.412 38.000 -0.300 0.000 1.267 101 I HN 0.149 nan 8.210 nan 0.000 0.431 102 I N 5.216 125.779 120.570 -0.012 0.000 2.598 102 I HA 0.161 4.437 4.170 0.176 0.000 0.284 102 I C 0.823 177.097 176.117 0.260 0.000 1.140 102 I CA 0.133 61.470 61.300 0.063 0.000 1.420 102 I CB 0.761 38.769 38.000 0.014 0.000 1.387 102 I HN 0.654 nan 8.210 nan 0.000 0.553 103 A N 5.010 127.917 122.820 0.146 0.000 2.354 103 A HA 0.268 4.693 4.320 0.176 0.000 0.281 103 A C -0.069 177.526 177.584 0.019 0.000 1.174 103 A CA -0.192 51.840 52.037 -0.008 0.000 0.828 103 A CB 0.114 18.971 19.000 -0.240 0.000 1.099 103 A HN 0.727 nan 8.150 nan 0.000 0.516 104 D N 3.067 123.505 120.400 0.064 0.000 2.861 104 D HA 0.286 5.031 4.640 0.176 0.000 0.357 104 D C -2.634 173.691 176.300 0.042 0.000 1.250 104 D CA -1.335 52.699 54.000 0.057 0.000 0.802 104 D CB 0.946 41.801 40.800 0.092 0.000 1.141 104 D HN 0.327 nan 8.370 nan 0.000 0.489 105 P HA 0.140 nan 4.420 nan 0.000 0.278 105 P C 0.194 177.503 177.300 0.015 0.000 1.238 105 P CA 0.167 63.276 63.100 0.015 0.000 0.794 105 P CB 1.603 33.305 31.700 0.004 0.000 0.955 106 Q N 0.874 120.684 119.800 0.016 0.000 2.559 106 Q HA -0.203 4.242 4.340 0.176 0.000 0.151 106 Q C 1.050 177.059 176.000 0.016 0.000 0.725 106 Q CA 1.361 57.171 55.803 0.012 0.000 1.230 106 Q CB -2.346 26.398 28.738 0.009 0.000 1.099 106 Q HN 0.954 nan 8.270 nan 0.000 1.047 107 G N -0.135 108.680 108.800 0.025 0.000 2.179 107 G HA2 -0.378 3.687 3.960 0.176 0.000 0.257 107 G HA3 -0.378 3.687 3.960 0.176 0.000 0.257 107 G C 0.562 175.477 174.900 0.026 0.000 1.010 107 G CA 1.421 46.541 45.100 0.032 0.000 0.736 107 G HN 0.397 nan 8.290 nan 0.000 0.513 108 T N -0.220 114.345 114.554 0.018 0.000 2.720 108 T HA -0.122 4.333 4.350 0.176 0.000 0.268 108 T C 2.587 177.291 174.700 0.007 0.000 1.037 108 T CA 1.771 63.876 62.100 0.009 0.000 1.144 108 T CB -0.117 68.754 68.868 0.004 0.000 0.864 108 T HN 0.342 nan 8.240 nan 0.000 0.444 109 V N 1.674 121.598 119.914 0.016 0.000 2.323 109 V HA -0.101 4.125 4.120 0.176 0.000 0.244 109 V C 2.935 179.039 176.094 0.016 0.000 1.041 109 V CA 1.496 63.804 62.300 0.013 0.000 1.025 109 V CB -1.328 30.514 31.823 0.032 0.000 0.656 109 V HN 0.517 nan 8.190 nan 0.000 0.451 110 A N -0.040 122.807 122.820 0.046 0.000 1.892 110 A HA -0.302 4.124 4.320 0.176 0.000 0.218 110 A C 2.401 180.016 177.584 0.051 0.000 1.188 110 A CA 2.310 54.388 52.037 0.069 0.000 0.631 110 A CB -0.614 18.436 19.000 0.083 0.000 0.822 110 A HN 0.471 nan 8.150 nan 0.000 0.447 111 R N -1.393 119.125 120.500 0.030 0.000 2.081 111 R HA -0.154 4.291 4.340 0.176 0.000 0.235 111 R C 2.460 178.757 176.300 -0.004 0.000 1.131 111 R CA 1.663 57.773 56.100 0.016 0.000 0.960 111 R CB -0.208 30.097 30.300 0.008 0.000 0.856 111 R HN 0.460 nan 8.270 nan 0.000 0.436 112 R N 0.868 121.353 120.500 -0.026 0.000 2.120 112 R HA -0.056 4.390 4.340 0.176 0.000 0.234 112 R C 1.572 177.810 176.300 -0.104 0.000 1.123 112 R CA 1.341 57.402 56.100 -0.065 0.000 0.975 112 R CB -0.286 29.965 30.300 -0.081 0.000 0.866 112 R HN 0.227 nan 8.270 nan 0.000 0.446 113 L N -0.857 120.310 121.223 -0.093 0.000 2.591 113 L HA 0.284 4.729 4.340 0.176 0.000 0.228 113 L C 1.012 177.930 176.870 0.079 0.000 1.133 113 L CA 0.420 55.193 54.840 -0.112 0.000 0.880 113 L CB 0.069 42.017 42.059 -0.184 0.000 1.033 113 L HN 0.547 nan 8.230 nan 0.000 0.450 114 G N 0.318 109.156 108.800 0.063 0.000 2.143 114 G HA2 -0.287 3.778 3.960 0.176 0.000 0.248 114 G HA3 -0.287 3.778 3.960 0.176 0.000 0.248 114 G C 0.654 175.627 174.900 0.122 0.000 0.991 114 G CA 0.238 45.388 45.100 0.083 0.000 0.689 114 G HN 0.352 nan 8.290 nan 0.000 0.522 115 L N -1.086 120.230 121.223 0.154 0.000 2.592 115 L HA 0.526 4.971 4.340 0.176 0.000 0.227 115 L C 1.334 178.271 176.870 0.113 0.000 1.127 115 L CA 0.375 55.324 54.840 0.182 0.000 0.884 115 L CB 0.067 42.267 42.059 0.236 0.000 1.065 115 L HN 0.318 nan 8.230 nan 0.000 0.457 122 T N -1.726 112.645 114.554 -0.305 0.000 3.206 122 T HA 0.167 4.623 4.350 0.176 0.000 0.253 122 T C 0.875 175.558 174.700 -0.028 0.000 1.042 122 T CA 0.812 62.846 62.100 -0.110 0.000 0.931 122 T CB -0.602 68.250 68.868 -0.026 0.000 1.029 122 T HN 0.643 nan 8.240 nan 0.000 0.564 123 H N 2.249 121.349 119.070 0.049 0.000 2.457 123 H HA -0.047 4.613 4.556 0.174 0.000 0.297 123 H C 2.510 177.879 175.328 0.069 0.000 1.092 123 H CA 1.875 57.955 56.048 0.054 0.000 1.309 123 H CB -0.784 29.003 29.762 0.041 0.000 1.382 123 H HN 0.676 nan 8.280 nan 0.000 0.535 124 T N -1.541 113.110 114.554 0.162 0.000 3.113 124 T HA 0.077 4.533 4.350 0.176 0.000 0.256 124 T C 1.054 175.847 174.700 0.155 0.000 1.131 124 T CA -0.007 62.179 62.100 0.142 0.000 1.074 124 T CB -0.509 68.419 68.868 0.100 0.000 0.944 124 T HN -0.053 nan 8.240 nan 0.000 0.516 125 V N 2.962 122.960 119.914 0.140 0.000 2.157 125 V HA 0.336 4.562 4.120 0.176 0.000 0.241 125 V C 0.892 177.065 176.094 0.132 0.000 1.349 125 V CA -0.053 62.334 62.300 0.145 0.000 1.319 125 V CB -0.818 31.081 31.823 0.128 0.000 1.421 125 V HN 0.383 nan 8.190 nan 0.000 0.501 126 R N 1.882 122.467 120.500 0.143 0.000 2.519 126 R HA 0.210 4.655 4.340 0.176 0.000 0.375 126 R C 0.929 177.241 176.300 0.020 0.000 0.926 126 R CA 0.120 56.267 56.100 0.078 0.000 1.166 126 R CB 1.219 31.598 30.300 0.132 0.000 1.626 126 R HN 0.621 nan 8.270 nan 0.000 0.529 127 G N 1.136 109.942 108.800 0.009 0.000 2.432 127 G HA2 0.276 4.342 3.960 0.176 0.000 0.239 127 G HA3 0.276 4.342 3.960 0.176 0.000 0.239 127 G C -0.147 174.550 174.900 -0.338 0.000 1.291 127 G CA 0.006 44.841 45.100 -0.441 0.000 0.863 127 G HN -0.081 nan 8.290 nan 0.000 0.560 128 V N 2.579 122.153 119.914 -0.566 0.000 2.417 128 V HA 0.462 4.687 4.120 0.176 0.000 0.291 128 V C -0.789 175.004 176.094 -0.500 0.000 1.024 128 V CA -0.518 61.630 62.300 -0.253 0.000 0.861 128 V CB 1.067 32.845 31.823 -0.075 0.000 0.985 128 V HN 0.539 nan 8.190 nan 0.000 0.436 129 F N 4.979 124.911 119.950 -0.029 0.000 2.449 129 F HA 0.614 5.272 4.527 0.219 0.000 0.342 129 F C 0.127 175.873 175.800 -0.091 0.000 1.127 129 F CA -0.652 57.337 58.000 -0.018 0.000 0.975 129 F CB 1.461 40.532 39.000 0.119 0.000 1.146 129 F HN 0.243 nan 8.300 nan 0.000 0.444 130 I N 4.524 125.123 120.570 0.049 0.000 2.312 130 I HA 0.443 4.718 4.170 0.176 0.000 0.290 130 I C -0.859 175.180 176.117 -0.130 0.000 1.008 130 I CA -0.756 60.540 61.300 -0.006 0.000 1.226 130 I CB 1.202 39.271 38.000 0.116 0.000 1.371 130 I HN 0.215 nan 8.210 nan 0.000 0.468 131 V N 5.327 124.989 119.914 -0.421 0.000 2.540 131 V HA 0.258 4.483 4.120 0.176 0.000 0.302 131 V C -0.262 175.391 176.094 -0.735 0.000 1.035 131 V CA -0.779 61.130 62.300 -0.652 0.000 0.873 131 V CB 1.906 32.963 31.823 -1.277 0.000 0.992 131 V HN 0.789 nan 8.190 nan 0.000 0.428 132 D N 4.276 124.096 120.400 -0.966 0.000 2.433 132 D HA 0.363 5.109 4.640 0.176 0.000 0.255 132 D C 1.009 176.779 176.300 -0.885 0.000 1.226 132 D CA -0.066 52.892 54.000 -1.737 0.000 1.015 132 D CB 1.370 41.086 40.800 -1.807 0.000 1.091 132 D HN 0.505 nan 8.370 nan 0.000 0.527 133 A N -0.495 121.865 122.820 -0.767 0.000 2.235 133 A HA 0.003 4.428 4.320 0.176 0.000 0.208 133 A C 1.780 179.308 177.584 -0.094 0.000 1.172 133 A CA 0.275 52.210 52.037 -0.170 0.000 0.786 133 A CB -0.517 18.529 19.000 0.077 0.000 0.804 133 A HN 0.506 nan 8.150 nan 0.000 0.479 134 R N -1.145 119.256 120.500 -0.165 0.000 2.317 134 R HA 0.249 4.694 4.340 0.176 0.000 0.208 134 R C 1.198 177.464 176.300 -0.057 0.000 0.914 134 R CA 0.547 56.597 56.100 -0.083 0.000 1.060 134 R CB 0.074 30.324 30.300 -0.084 0.000 1.015 134 R HN 0.569 nan 8.270 nan 0.000 0.498 135 G N 0.623 109.377 108.800 -0.077 0.000 2.136 135 G HA2 -0.241 3.825 3.960 0.176 0.000 0.242 135 G HA3 -0.241 3.825 3.960 0.176 0.000 0.242 135 G C 0.010 174.904 174.900 -0.010 0.000 0.989 135 G CA -0.043 45.065 45.100 0.014 0.000 0.682 135 G HN 0.137 nan 8.290 nan 0.000 0.522 136 V N 1.550 121.390 119.914 -0.123 0.000 2.439 136 V HA 0.488 4.713 4.120 0.176 0.000 0.282 136 V C 1.137 177.155 176.094 -0.126 0.000 1.039 136 V CA -0.790 61.454 62.300 -0.092 0.000 0.913 136 V CB 1.655 33.413 31.823 -0.108 0.000 0.983 136 V HN 0.309 nan 8.190 nan 0.000 0.460 137 I N 6.100 126.663 120.570 -0.013 0.000 2.517 137 I HA 0.180 4.455 4.170 0.176 0.000 0.285 137 I C 1.248 177.361 176.117 -0.008 0.000 1.106 137 I CA 0.015 61.334 61.300 0.030 0.000 1.402 137 I CB 0.440 38.538 38.000 0.162 0.000 1.399 137 I HN 0.615 nan 8.210 nan 0.000 0.535 138 R N 3.350 123.830 120.500 -0.034 0.000 2.250 138 R HA 0.280 4.725 4.340 0.176 0.000 0.194 138 R C -0.028 176.302 176.300 0.051 0.000 0.927 138 R CA 0.408 56.506 56.100 -0.004 0.000 1.052 138 R CB 0.440 30.731 30.300 -0.014 0.000 1.055 138 R HN 0.528 nan 8.270 nan 0.000 0.537 139 T N 0.744 115.333 114.554 0.057 0.000 2.932 139 T HA 0.545 5.001 4.350 0.176 0.000 0.318 139 T C -0.870 173.830 174.700 0.000 0.000 1.265 139 T CA -0.503 61.626 62.100 0.048 0.000 1.036 139 T CB 2.535 71.445 68.868 0.069 0.000 1.209 139 T HN -0.132 nan 8.240 nan 0.000 0.484 140 M N 3.011 122.587 119.600 -0.039 0.000 2.393 140 M HA 0.595 5.180 4.480 0.176 0.000 0.299 140 M C -1.588 174.602 176.300 -0.183 0.000 1.103 140 M CA -0.685 54.477 55.300 -0.231 0.000 0.910 140 M CB 2.178 34.661 32.600 -0.195 0.000 1.659 140 M HN 0.308 nan 8.290 nan 0.000 0.445 141 L N 2.759 123.763 121.223 -0.366 0.000 2.386 141 L HA 0.546 4.991 4.340 0.176 0.000 0.271 141 L C -1.630 175.045 176.870 -0.325 0.000 0.993 141 L CA -0.723 54.042 54.840 -0.124 0.000 0.819 141 L CB 1.787 43.907 42.059 0.102 0.000 1.294 141 L HN 0.622 nan 8.230 nan 0.000 0.414 142 Y N 1.823 122.130 120.300 0.012 0.000 2.787 142 Y HA 0.392 5.039 4.550 0.162 0.000 0.352 142 Y C -0.766 175.144 175.900 0.016 0.000 1.027 142 Y CA -0.672 57.438 58.100 0.016 0.000 1.219 142 Y CB 0.534 38.970 38.460 -0.040 0.000 1.110 142 Y HN 0.316 nan 8.280 nan 0.000 0.614 143 Y N 4.318 124.658 120.300 0.067 0.000 2.316 143 Y HA 0.318 4.872 4.550 0.006 0.000 0.331 143 Y C -1.861 174.082 175.900 0.070 0.000 1.083 143 Y CA -2.658 55.477 58.100 0.058 0.000 1.206 143 Y CB 0.584 39.064 38.460 0.033 0.000 1.195 143 Y HN 0.329 nan 8.280 nan 0.000 0.497 144 P HA 0.047 nan 4.420 nan 0.000 0.276 144 P C 0.505 177.886 177.300 0.136 0.000 1.261 144 P CA -0.388 62.794 63.100 0.135 0.000 0.800 144 P CB 0.822 32.569 31.700 0.080 0.000 1.066 145 M N -0.057 119.609 119.600 0.109 0.000 2.358 145 M HA -0.107 4.478 4.480 0.176 0.000 0.264 145 M C 1.345 177.693 176.300 0.079 0.000 1.064 145 M CA 1.774 57.137 55.300 0.105 0.000 1.093 145 M CB -0.829 31.831 32.600 0.100 0.000 1.401 145 M HN 0.234 nan 8.290 nan 0.000 0.440 146 E N 1.286 121.520 120.200 0.057 0.000 2.489 146 E HA 0.084 4.539 4.350 0.176 0.000 0.193 146 E C 0.139 176.777 176.600 0.064 0.000 1.057 146 E CA 0.155 56.580 56.400 0.042 0.000 0.866 146 E CB 0.149 29.857 29.700 0.014 0.000 0.916 146 E HN 0.633 nan 8.360 nan 0.000 0.500 147 L N 1.453 122.739 121.223 0.103 0.000 2.457 147 L HA 0.479 4.924 4.340 0.176 0.000 0.266 147 L C -0.129 176.835 176.870 0.156 0.000 0.979 147 L CA -0.562 54.361 54.840 0.137 0.000 0.857 147 L CB 1.581 43.746 42.059 0.176 0.000 1.213 147 L HN 0.057 nan 8.230 nan 0.000 0.418 148 G N 3.962 112.813 108.800 0.084 0.000 2.491 148 G HA2 0.240 4.306 3.960 0.176 0.000 0.238 148 G HA3 0.240 4.306 3.960 0.176 0.000 0.238 148 G C 0.058 174.880 174.900 -0.130 0.000 1.277 148 G CA -0.366 44.739 45.100 0.008 0.000 0.851 148 G HN 0.699 nan 8.290 nan 0.000 0.573 149 R N -0.330 119.970 120.500 -0.333 0.000 2.707 149 R HA 0.286 4.731 4.340 0.176 0.000 0.270 149 R C -0.192 175.842 176.300 -0.444 0.000 1.083 149 R CA -0.664 54.982 56.100 -0.757 0.000 1.182 149 R CB 0.546 30.421 30.300 -0.709 0.000 1.084 149 R HN 0.343 nan 8.270 nan 0.000 0.528 150 L N 2.379 123.348 121.223 -0.424 0.000 2.287 150 L HA 0.142 4.588 4.340 0.176 0.000 0.280 150 L C 0.393 177.107 176.870 -0.260 0.000 1.055 150 L CA 0.109 54.815 54.840 -0.223 0.000 0.863 150 L CB 1.355 43.367 42.059 -0.078 0.000 1.245 150 L HN 0.543 nan 8.230 nan 0.000 0.432 151 V N 3.000 122.716 119.914 -0.331 0.000 2.515 151 V HA -0.158 4.067 4.120 0.176 0.000 0.250 151 V C 1.621 177.546 176.094 -0.281 0.000 1.058 151 V CA 1.533 63.577 62.300 -0.427 0.000 1.064 151 V CB -0.585 30.838 31.823 -0.667 0.000 0.675 151 V HN 0.730 nan 8.190 nan 0.000 0.461 152 D N 0.104 120.371 120.400 -0.222 0.000 2.218 152 D HA -0.189 4.556 4.640 0.176 0.000 0.204 152 D C 2.159 178.359 176.300 -0.165 0.000 0.976 152 D CA 1.354 55.230 54.000 -0.207 0.000 0.853 152 D CB 0.049 40.795 40.800 -0.090 0.000 0.939 152 D HN 0.517 nan 8.370 nan 0.000 0.481 153 E N 0.994 121.134 120.200 -0.100 0.000 2.150 153 E HA -0.081 4.374 4.350 0.176 0.000 0.193 153 E C 2.065 178.641 176.600 -0.041 0.000 0.985 153 E CA 0.513 56.892 56.400 -0.034 0.000 0.814 153 E CB -0.291 29.416 29.700 0.013 0.000 0.752 153 E HN 0.297 nan 8.360 nan 0.000 0.466 154 I N 0.037 120.567 120.570 -0.066 0.000 2.315 154 I HA -0.217 4.058 4.170 0.176 0.000 0.248 154 I C 2.208 178.302 176.117 -0.038 0.000 1.117 154 I CA 0.642 61.958 61.300 0.026 0.000 1.404 154 I CB -0.186 37.892 38.000 0.129 0.000 1.071 154 I HN 0.151 nan 8.210 nan 0.000 0.419 155 L N 0.274 121.303 121.223 -0.324 0.000 2.046 155 L HA -0.217 4.228 4.340 0.176 0.000 0.208 155 L C 2.817 179.418 176.870 -0.449 0.000 1.077 155 L CA 1.340 55.717 54.840 -0.773 0.000 0.747 155 L CB -0.519 40.600 42.059 -1.568 0.000 0.896 155 L HN 0.207 nan 8.230 nan 0.000 0.432 156 R N 0.518 120.904 120.500 -0.189 0.000 2.083 156 R HA -0.191 4.255 4.340 0.176 0.000 0.237 156 R C 2.304 178.666 176.300 0.105 0.000 1.137 156 R CA 1.654 57.844 56.100 0.150 0.000 0.951 156 R CB -0.296 30.112 30.300 0.180 0.000 0.851 156 R HN 0.293 nan 8.270 nan 0.000 0.434 157 I N 0.633 121.232 120.570 0.047 0.000 2.127 157 I HA -0.306 3.970 4.170 0.176 0.000 0.241 157 I C 2.466 178.596 176.117 0.021 0.000 1.075 157 I CA 1.660 62.994 61.300 0.057 0.000 1.334 157 I CB -0.409 37.635 38.000 0.073 0.000 1.040 157 I HN 0.157 nan 8.210 nan 0.000 0.405 158 V N -0.568 119.334 119.914 -0.021 0.000 2.343 158 V HA -0.258 3.967 4.120 0.176 0.000 0.247 158 V C 2.531 178.469 176.094 -0.259 0.000 1.051 158 V CA 2.050 64.254 62.300 -0.161 0.000 1.036 158 V CB -0.950 30.794 31.823 -0.131 0.000 0.654 158 V HN 0.299 nan 8.190 nan 0.000 0.451 159 K N 1.925 122.260 120.400 -0.108 0.000 2.032 159 K HA -0.064 4.361 4.320 0.176 0.000 0.209 159 K C 2.133 178.697 176.600 -0.061 0.000 1.048 159 K CA 2.224 58.496 56.287 -0.026 0.000 0.927 159 K CB -1.084 31.554 32.500 0.230 0.000 0.712 159 K HN 0.572 nan 8.250 nan 0.000 0.441 160 A N 0.444 123.247 122.820 -0.028 0.000 1.898 160 A HA -0.055 4.370 4.320 0.176 0.000 0.216 160 A C 2.256 179.734 177.584 -0.177 0.000 1.181 160 A CA 1.505 53.438 52.037 -0.174 0.000 0.620 160 A CB -0.650 18.295 19.000 -0.092 0.000 0.819 160 A HN 0.323 nan 8.150 nan 0.000 0.442 161 L N -0.708 120.463 121.223 -0.086 0.000 2.046 161 L HA -0.212 4.233 4.340 0.176 0.000 0.208 161 L C 2.610 179.476 176.870 -0.005 0.000 1.077 161 L CA 1.767 56.616 54.840 0.016 0.000 0.747 161 L CB -0.425 41.759 42.059 0.209 0.000 0.896 161 L HN 0.345 nan 8.230 nan 0.000 0.432 162 K N -0.010 120.275 120.400 -0.193 0.000 2.057 162 K HA -0.159 4.267 4.320 0.176 0.000 0.207 162 K C 2.125 178.677 176.600 -0.080 0.000 1.049 162 K CA 1.184 57.371 56.287 -0.166 0.000 0.931 162 K CB -0.200 32.085 32.500 -0.359 0.000 0.714 162 K HN 0.217 nan 8.250 nan 0.000 0.440 163 L N 0.058 121.207 121.223 -0.124 0.000 2.017 163 L HA -0.164 4.281 4.340 0.176 0.000 0.208 163 L C 2.557 179.356 176.870 -0.118 0.000 1.073 163 L CA 1.530 56.295 54.840 -0.124 0.000 0.745 163 L CB -0.871 41.062 42.059 -0.209 0.000 0.894 163 L HN 0.383 nan 8.230 nan 0.000 0.432 164 G N -0.525 108.187 108.800 -0.148 0.000 2.446 164 G HA2 -0.289 3.776 3.960 0.176 0.000 0.217 164 G HA3 -0.289 3.776 3.960 0.176 0.000 0.217 164 G C 1.119 176.000 174.900 -0.032 0.000 1.168 164 G CA 1.024 46.058 45.100 -0.110 0.000 0.771 164 G HN 0.303 nan 8.290 nan 0.000 0.551 165 D N 0.057 120.469 120.400 0.018 0.000 2.117 165 D HA -0.084 4.662 4.640 0.176 0.000 0.197 165 D C 2.681 179.007 176.300 0.043 0.000 0.987 165 D CA 1.367 55.404 54.000 0.062 0.000 0.829 165 D CB -0.350 40.539 40.800 0.148 0.000 0.961 165 D HN 0.284 nan 8.370 nan 0.000 0.460 166 S N -0.652 115.065 115.700 0.029 0.000 2.387 166 S HA -0.051 4.524 4.470 0.176 0.000 0.226 166 S C 1.448 176.059 174.600 0.018 0.000 1.026 166 S CA 0.416 58.631 58.200 0.026 0.000 0.972 166 S CB 0.048 63.258 63.200 0.016 0.000 0.814 166 S HN 0.025 nan 8.310 nan 0.000 0.477 167 L N 1.446 122.670 121.223 0.001 0.000 2.592 167 L HA 0.383 4.828 4.340 0.176 0.000 0.227 167 L C 0.596 177.470 176.870 0.007 0.000 1.127 167 L CA 0.646 55.489 54.840 0.005 0.000 0.884 167 L CB -1.078 40.975 42.059 -0.010 0.000 1.065 167 L HN 0.282 nan 8.230 nan 0.000 0.457 168 K N 0.710 121.113 120.400 0.005 0.000 3.257 168 K HA -0.209 4.216 4.320 0.176 0.000 0.270 168 K C -0.174 176.417 176.600 -0.015 0.000 0.984 168 K CA 0.415 56.704 56.287 0.004 0.000 0.739 168 K CB -0.965 31.547 32.500 0.020 0.000 1.351 168 K HN 0.179 nan 8.250 nan 0.000 0.463 169 R N -0.407 120.069 120.500 -0.040 0.000 2.795 169 R HA 0.638 5.083 4.340 0.176 0.000 0.275 169 R C -0.339 175.907 176.300 -0.091 0.000 0.981 169 R CA -0.522 55.538 56.100 -0.066 0.000 0.917 169 R CB 1.892 32.147 30.300 -0.076 0.000 1.202 169 R HN 0.249 nan 8.270 nan 0.000 0.469 170 A N 1.385 124.146 122.820 -0.098 0.000 2.286 170 A HA 0.593 5.019 4.320 0.176 0.000 0.286 170 A C -0.361 177.124 177.584 -0.166 0.000 1.097 170 A CA -0.480 51.488 52.037 -0.115 0.000 0.821 170 A CB 0.869 19.808 19.000 -0.102 0.000 1.076 170 A HN 0.328 nan 8.150 nan 0.000 0.490 171 V N 3.500 123.306 119.914 -0.180 0.000 2.448 171 V HA 0.416 4.641 4.120 0.176 0.000 0.295 171 V C -1.931 174.099 176.094 -0.107 0.000 1.025 171 V CA -1.152 61.000 62.300 -0.248 0.000 0.859 171 V CB 1.316 32.941 31.823 -0.330 0.000 0.988 171 V HN 0.942 nan 8.190 nan 0.000 0.431 172 P HA 0.322 nan 4.420 nan 0.000 0.274 172 P C -0.265 177.079 177.300 0.074 0.000 1.246 172 P CA -0.271 62.833 63.100 0.006 0.000 0.795 172 P CB 0.890 32.607 31.700 0.029 0.000 1.006 173 A N 1.662 124.511 122.820 0.047 0.000 2.587 173 A HA 0.003 4.428 4.320 0.176 0.000 0.235 173 A C 0.794 178.430 177.584 0.088 0.000 1.044 173 A CA 0.745 52.818 52.037 0.060 0.000 0.754 173 A CB -0.931 18.091 19.000 0.037 0.000 0.968 173 A HN 0.748 nan 8.150 nan 0.000 0.509 174 D N -0.838 119.619 120.400 0.096 0.000 3.076 174 D HA -0.179 4.567 4.640 0.176 0.000 0.218 174 D C -0.233 176.122 176.300 0.093 0.000 1.156 174 D CA 1.530 55.574 54.000 0.074 0.000 0.921 174 D CB -1.831 38.985 40.800 0.026 0.000 1.113 174 D HN 0.814 nan 8.370 nan 0.000 0.418 175 W N 2.816 124.103 121.300 -0.022 0.000 2.223 175 W HA 0.224 4.982 4.660 0.164 0.000 0.334 175 W C -1.559 174.950 176.519 -0.017 0.000 1.334 175 W CA -0.850 56.479 57.345 -0.026 0.000 1.246 175 W CB 0.613 30.060 29.460 -0.022 0.000 1.184 175 W HN -0.124 nan 8.180 nan 0.000 0.563 176 P HA 0.072 nan 4.420 nan 0.000 0.258 176 P C -0.489 176.439 177.300 -0.619 0.000 1.416 176 P CA 0.463 62.643 63.100 -1.534 0.000 0.927 176 P CB 0.316 31.011 31.700 -1.675 0.000 1.444 177 N N 0.660 119.161 118.700 -0.330 0.000 2.535 177 N HA 0.051 4.896 4.740 0.176 0.000 0.294 177 N C 0.001 175.449 175.510 -0.104 0.000 1.408 177 N CA -0.155 52.783 53.050 -0.187 0.000 0.927 177 N CB -0.196 38.204 38.487 -0.145 0.000 1.276 177 N HN 0.221 nan 8.380 nan 0.000 0.505 178 N N 1.033 119.686 118.700 -0.079 0.000 2.492 178 N HA -0.010 4.835 4.740 0.176 0.000 0.260 178 N C 0.477 175.946 175.510 -0.069 0.000 1.215 178 N CA 0.388 53.418 53.050 -0.034 0.000 0.923 178 N CB 1.183 39.675 38.487 0.008 0.000 1.092 178 N HN 0.176 nan 8.380 nan 0.000 0.448 179 E N 2.550 122.719 120.200 -0.051 0.000 2.285 179 E HA -0.012 4.443 4.350 0.176 0.000 0.194 179 E C 1.302 177.856 176.600 -0.077 0.000 0.997 179 E CA 0.716 57.082 56.400 -0.056 0.000 0.845 179 E CB 0.314 29.994 29.700 -0.034 0.000 0.782 179 E HN 0.666 nan 8.360 nan 0.000 0.491 180 I N 0.408 120.920 120.570 -0.097 0.000 2.429 180 I HA -0.046 4.229 4.170 0.176 0.000 0.247 180 I C 2.138 178.085 176.117 -0.283 0.000 1.099 180 I CA 0.828 62.035 61.300 -0.154 0.000 1.422 180 I CB 0.121 38.041 38.000 -0.133 0.000 1.112 180 I HN 0.097 nan 8.210 nan 0.000 0.430 181 I N -2.462 117.879 120.570 -0.383 0.000 4.240 181 I HA 0.569 4.844 4.170 0.176 0.000 0.331 181 I C 1.148 176.992 176.117 -0.455 0.000 1.381 181 I CA 0.052 60.882 61.300 -0.783 0.000 1.136 181 I CB 0.338 37.478 38.000 -1.435 0.000 1.137 181 I HN 0.248 nan 8.210 nan 0.000 0.411 182 G N 3.823 112.493 108.800 -0.216 0.000 2.574 182 G HA2 -0.394 3.671 3.960 0.176 0.000 0.301 182 G HA3 -0.394 3.671 3.960 0.176 0.000 0.301 182 G C 0.667 175.509 174.900 -0.096 0.000 1.166 182 G CA 0.766 45.790 45.100 -0.127 0.000 0.971 182 G HN 0.767 nan 8.290 nan 0.000 0.542 183 E N 1.833 122.004 120.200 -0.049 0.000 2.465 183 E HA 0.399 4.855 4.350 0.176 0.000 0.191 183 E C 1.274 178.117 176.600 0.406 0.000 1.053 183 E CA 0.336 56.748 56.400 0.021 0.000 0.869 183 E CB -0.176 29.476 29.700 -0.080 0.000 0.977 183 E HN 0.992 nan 8.360 nan 0.000 0.483 184 G N 1.551 110.509 108.800 0.264 0.000 2.474 184 G HA2 0.236 4.302 3.960 0.176 0.000 0.233 184 G HA3 0.236 4.302 3.960 0.176 0.000 0.233 184 G C -0.396 174.704 174.900 0.334 0.000 1.278 184 G CA -0.197 45.136 45.100 0.387 0.000 0.861 184 G HN 0.171 nan 8.290 nan 0.000 0.567 185 L N 0.936 122.345 121.223 0.310 0.000 2.342 185 L HA 0.486 4.932 4.340 0.176 0.000 0.271 185 L C 0.087 177.035 176.870 0.131 0.000 1.008 185 L CA -0.914 53.984 54.840 0.097 0.000 0.818 185 L CB 2.133 44.180 42.059 -0.021 0.000 1.296 185 L HN 0.349 nan 8.230 nan 0.000 0.427 186 I N 1.839 122.413 120.570 0.007 0.000 2.396 186 I HA 0.194 4.469 4.170 0.176 0.000 0.292 186 I C -0.174 175.898 176.117 -0.075 0.000 0.999 186 I CA -0.704 60.584 61.300 -0.020 0.000 1.310 186 I CB 1.752 39.662 38.000 -0.151 0.000 1.404 186 I HN 0.192 nan 8.210 nan 0.000 0.496 187 V N 8.025 127.863 119.914 -0.127 0.000 2.508 187 V HA 0.134 4.359 4.120 0.176 0.000 0.281 187 V C -2.063 173.964 176.094 -0.111 0.000 1.041 187 V CA -1.528 60.651 62.300 -0.203 0.000 1.016 187 V CB 0.220 31.746 31.823 -0.496 0.000 0.984 187 V HN 0.602 nan 8.190 nan 0.000 0.478 188 P HA 0.098 nan 4.420 nan 0.000 0.261 188 P C -2.297 175.015 177.300 0.020 0.000 1.183 188 P CA -0.516 62.572 63.100 -0.021 0.000 0.761 188 P CB -0.152 31.545 31.700 -0.005 0.000 0.785 189 P HA 0.208 nan 4.420 nan 0.000 0.272 189 P C -2.542 174.883 177.300 0.209 0.000 1.230 189 P CA -1.537 61.650 63.100 0.145 0.000 0.788 189 P CB -0.630 31.170 31.700 0.167 0.000 0.949 190 P HA 0.094 nan 4.420 nan 0.000 0.269 190 P C 0.680 178.153 177.300 0.288 0.000 1.209 190 P CA 0.218 63.490 63.100 0.287 0.000 0.776 190 P CB 0.045 31.951 31.700 0.343 0.000 0.876 191 T N -3.139 111.508 114.554 0.155 0.000 3.084 191 T HA 0.232 4.687 4.350 0.176 0.000 0.270 191 T C 0.375 175.101 174.700 0.044 0.000 1.008 191 T CA -0.067 62.103 62.100 0.116 0.000 0.900 191 T CB -0.546 68.373 68.868 0.084 0.000 1.084 191 T HN 0.536 nan 8.240 nan 0.000 0.538 192 T N -1.854 112.705 114.554 0.007 0.000 2.896 192 T HA 0.512 4.967 4.350 0.176 0.000 0.297 192 T C 0.522 175.141 174.700 -0.135 0.000 1.108 192 T CA -0.760 61.310 62.100 -0.051 0.000 1.004 192 T CB 2.403 71.256 68.868 -0.026 0.000 1.159 192 T HN -0.023 nan 8.240 nan 0.000 0.499 193 E N 0.433 120.535 120.200 -0.164 0.000 2.077 193 E HA -0.152 4.304 4.350 0.176 0.000 0.193 193 E C 1.192 177.698 176.600 -0.155 0.000 0.989 193 E CA 1.451 57.717 56.400 -0.224 0.000 0.800 193 E CB -0.045 29.553 29.700 -0.169 0.000 0.746 193 E HN 0.648 nan 8.360 nan 0.000 0.452 194 D N 0.410 120.758 120.400 -0.087 0.000 2.117 194 D HA -0.192 4.553 4.640 0.176 0.000 0.197 194 D C 1.892 178.174 176.300 -0.031 0.000 0.987 194 D CA 0.996 54.965 54.000 -0.050 0.000 0.829 194 D CB -0.250 40.533 40.800 -0.029 0.000 0.961 194 D HN 0.177 nan 8.370 nan 0.000 0.460 195 Q N 0.124 119.912 119.800 -0.020 0.000 2.079 195 Q HA -0.114 4.332 4.340 0.176 0.000 0.200 195 Q C 1.998 178.024 176.000 0.042 0.000 0.974 195 Q CA 1.479 57.296 55.803 0.023 0.000 0.840 195 Q CB -0.037 28.727 28.738 0.044 0.000 0.898 195 Q HN 0.206 nan 8.270 nan 0.000 0.430 196 A N 0.919 123.728 122.820 -0.020 0.000 1.930 196 A HA -0.197 4.228 4.320 0.176 0.000 0.217 196 A C 2.077 179.673 177.584 0.021 0.000 1.175 196 A CA 1.481 53.524 52.037 0.010 0.000 0.627 196 A CB -0.545 18.219 19.000 -0.394 0.000 0.815 196 A HN 0.395 nan 8.150 nan 0.000 0.443 197 R N -0.383 120.088 120.500 -0.047 0.000 2.073 197 R HA -0.068 4.377 4.340 0.176 0.000 0.234 197 R C 2.292 178.608 176.300 0.026 0.000 1.134 197 R CA 1.527 57.618 56.100 -0.014 0.000 0.952 197 R CB -0.424 29.852 30.300 -0.040 0.000 0.850 197 R HN 0.427 nan 8.270 nan 0.000 0.433 198 A N 0.669 123.506 122.820 0.028 0.000 1.902 198 A HA -0.184 4.242 4.320 0.176 0.000 0.217 198 A C 2.169 179.791 177.584 0.063 0.000 1.181 198 A CA 1.525 53.584 52.037 0.037 0.000 0.623 198 A CB -0.563 18.457 19.000 0.033 0.000 0.818 198 A HN 0.397 nan 8.150 nan 0.000 0.443 199 R N -1.250 119.313 120.500 0.106 0.000 2.083 199 R HA -0.134 4.311 4.340 0.176 0.000 0.237 199 R C 2.025 178.410 176.300 0.142 0.000 1.137 199 R CA 1.963 58.161 56.100 0.163 0.000 0.951 199 R CB -0.253 30.191 30.300 0.241 0.000 0.851 199 R HN 0.395 nan 8.270 nan 0.000 0.434 200 M N 0.315 119.996 119.600 0.135 0.000 2.254 200 M HA -0.082 4.503 4.480 0.176 0.000 0.265 200 M C 1.781 178.117 176.300 0.061 0.000 1.066 200 M CA 1.528 56.896 55.300 0.114 0.000 1.123 200 M CB -0.645 32.035 32.600 0.132 0.000 1.388 200 M HN 0.218 nan 8.290 nan 0.000 0.425 201 E N 0.265 120.491 120.200 0.045 0.000 2.107 201 E HA -0.128 4.327 4.350 0.176 0.000 0.191 201 E C 2.065 178.666 176.600 0.002 0.000 0.982 201 E CA 1.537 57.949 56.400 0.020 0.000 0.809 201 E CB -0.002 29.706 29.700 0.015 0.000 0.756 201 E HN 0.552 nan 8.360 nan 0.000 0.459 202 S N -0.116 115.583 115.700 -0.002 0.000 2.400 202 S HA -0.119 4.456 4.470 0.176 0.000 0.232 202 S C 1.885 176.447 174.600 -0.064 0.000 1.025 202 S CA 1.045 59.223 58.200 -0.038 0.000 0.993 202 S CB -0.583 62.584 63.200 -0.055 0.000 0.808 202 S HN 0.404 nan 8.310 nan 0.000 0.478 203 G N 1.097 109.869 108.800 -0.046 0.000 2.203 203 G HA2 -0.396 3.669 3.960 0.176 0.000 0.263 203 G HA3 -0.396 3.669 3.960 0.176 0.000 0.263 203 G C 0.567 175.387 174.900 -0.133 0.000 1.012 203 G CA 0.757 45.820 45.100 -0.062 0.000 0.749 203 G HN 0.670 nan 8.290 nan 0.000 0.512 204 Q N -1.437 118.220 119.800 -0.239 0.000 2.167 204 Q HA 0.030 4.476 4.340 0.176 0.000 0.202 204 Q C 0.359 176.039 176.000 -0.534 0.000 0.970 204 Q CA 0.899 56.419 55.803 -0.472 0.000 0.855 204 Q CB 0.051 28.321 28.738 -0.780 0.000 0.911 204 Q HN 0.718 nan 8.270 nan 0.000 0.438 205 Y N -0.523 119.725 120.300 -0.087 0.000 2.524 205 Y HA 0.426 5.082 4.550 0.178 0.000 0.344 205 Y C -0.226 175.534 175.900 -0.234 0.000 1.012 205 Y CA -1.393 56.614 58.100 -0.156 0.000 1.068 205 Y CB 1.148 39.549 38.460 -0.097 0.000 1.249 205 Y HN -0.189 nan 8.280 nan 0.000 0.468 206 R N 1.078 121.415 120.500 -0.272 0.000 2.623 206 R HA 0.350 4.795 4.340 0.176 0.000 0.271 206 R C -0.528 175.612 176.300 -0.268 0.000 1.043 206 R CA 0.206 56.033 56.100 -0.455 0.000 1.083 206 R CB 0.600 30.251 30.300 -1.082 0.000 0.974 206 R HN 0.576 nan 8.270 nan 0.000 0.436 207 S N 1.949 117.597 115.700 -0.087 0.000 2.543 207 S HA 0.307 4.882 4.470 0.176 0.000 0.271 207 S C -0.305 174.255 174.600 -0.067 0.000 1.148 207 S CA -0.689 57.509 58.200 -0.003 0.000 0.914 207 S CB 1.158 64.364 63.200 0.010 0.000 1.096 207 S HN 0.398 nan 8.310 nan 0.000 0.471 208 L N 2.683 123.784 121.223 -0.203 0.000 2.408 208 L HA 0.580 5.025 4.340 0.176 0.000 0.215 208 L C 0.537 177.205 176.870 -0.337 0.000 1.081 208 L CA 1.138 55.770 54.840 -0.346 0.000 0.840 208 L CB -0.223 41.424 42.059 -0.686 0.000 1.002 208 L HN 0.713 nan 8.230 nan 0.000 0.468 209 D N -3.102 117.049 120.400 -0.416 0.000 2.725 209 D HA 0.048 4.793 4.640 0.176 0.000 0.292 209 D C 0.445 176.525 176.300 -0.367 0.000 1.288 209 D CA -0.443 53.295 54.000 -0.437 0.000 0.784 209 D CB 0.369 40.691 40.800 -0.797 0.000 1.308 209 D HN -0.011 nan 8.370 nan 0.000 0.429 210 W N 1.150 122.425 121.300 -0.043 0.000 2.364 210 W HA -0.058 4.709 4.660 0.178 0.000 0.281 210 W C 1.180 177.774 176.519 0.124 0.000 1.219 210 W CA 0.659 58.047 57.345 0.073 0.000 1.220 210 W CB -0.917 28.630 29.460 0.145 0.000 1.127 210 W HN 0.532 nan 8.180 nan 0.000 0.556 211 W N -1.537 119.360 121.300 -0.672 0.000 3.278 211 W HA 0.343 5.107 4.660 0.172 0.000 0.308 211 W C -0.379 176.028 176.519 -0.187 0.000 1.253 211 W CA -0.798 56.214 57.345 -0.555 0.000 1.759 211 W CB -1.507 27.279 29.460 -1.124 0.000 1.093 211 W HN -0.140 nan 8.180 nan 0.000 0.648 212 F N 2.329 121.869 119.950 -0.684 0.000 2.660 212 F HA 0.446 5.079 4.527 0.178 0.000 0.352 212 F C -0.842 174.825 175.800 -0.222 0.000 1.257 212 F CA -0.399 57.289 58.000 -0.520 0.000 1.200 212 F CB 0.142 38.543 39.000 -0.998 0.000 1.473 212 F HN -0.325 nan 8.300 nan 0.000 0.561 213 C N 4.182 123.604 119.300 0.202 0.000 2.435 213 C HA 0.641 5.206 4.460 0.176 0.000 0.333 213 C C -0.786 174.331 174.990 0.211 0.000 1.202 213 C CA -0.544 58.570 59.018 0.161 0.000 1.830 213 C CB 0.987 28.706 27.740 -0.035 0.000 2.326 213 C HN 0.870 nan 8.230 nan 0.000 0.507 214 W N 2.235 123.540 121.300 0.009 0.000 3.074 214 W HA 0.686 5.454 4.660 0.180 0.000 0.332 214 W C -1.619 174.947 176.519 0.079 0.000 1.253 214 W CA -0.810 56.541 57.345 0.009 0.000 1.180 214 W CB 0.882 30.410 29.460 0.114 0.000 1.445 214 W HN 0.712 nan 8.180 nan 0.000 0.573 215 D N -0.541 120.009 120.400 0.251 0.000 2.812 215 D HA 0.483 5.228 4.640 0.176 0.000 0.318 215 D C -0.663 175.818 176.300 0.302 0.000 1.234 215 D CA -0.483 53.582 54.000 0.108 0.000 0.989 215 D CB 1.215 42.101 40.800 0.143 0.000 1.442 215 D HN 0.287 nan 8.370 nan 0.000 0.537 216 T N -2.523 112.150 114.554 0.197 0.000 3.466 216 T HA 0.447 4.902 4.350 0.176 0.000 0.297 216 T C -2.003 172.794 174.700 0.162 0.000 1.640 216 T CA -0.913 61.331 62.100 0.240 0.000 1.631 216 T CB 0.740 69.752 68.868 0.241 0.000 0.928 216 T HN 0.304 nan 8.240 nan 0.000 0.688 217 P HA 0.359 nan 4.420 nan 0.000 0.257 217 P C 0.550 177.911 177.300 0.103 0.000 1.241 217 P CA -0.161 63.002 63.100 0.105 0.000 0.816 217 P CB 0.090 31.844 31.700 0.089 0.000 1.150 218 A N 1.233 124.140 122.820 0.145 0.000 2.425 218 A HA 0.415 4.840 4.320 0.176 0.000 0.249 218 A C 0.834 178.496 177.584 0.129 0.000 1.084 218 A CA -0.128 52.004 52.037 0.159 0.000 0.781 218 A CB -0.058 19.125 19.000 0.305 0.000 1.019 218 A HN 0.327 nan 8.150 nan 0.000 0.490 219 S N 1.871 117.627 115.700 0.094 0.000 2.584 219 S HA 0.160 4.735 4.470 0.176 0.000 0.270 219 S C 1.227 175.858 174.600 0.052 0.000 1.346 219 S CA 0.224 58.461 58.200 0.061 0.000 1.018 219 S CB 0.677 63.900 63.200 0.039 0.000 0.899 219 S HN 0.865 nan 8.310 nan 0.000 0.542 220 R N 0.879 121.395 120.500 0.026 0.000 2.103 220 R HA -0.183 4.262 4.340 0.176 0.000 0.242 220 R C 1.082 177.371 176.300 -0.018 0.000 1.142 220 R CA 2.286 58.387 56.100 0.001 0.000 0.960 220 R CB -0.668 29.628 30.300 -0.005 0.000 0.858 220 R HN 0.786 nan 8.270 nan 0.000 0.439 221 D N 0.445 120.838 120.400 -0.012 0.000 2.104 221 D HA -0.153 4.593 4.640 0.176 0.000 0.194 221 D C 1.480 177.758 176.300 -0.037 0.000 0.994 221 D CA 1.390 55.373 54.000 -0.029 0.000 0.830 221 D CB -0.391 40.398 40.800 -0.019 0.000 0.959 221 D HN 0.305 nan 8.370 nan 0.000 0.452 222 D N -0.162 120.241 120.400 0.005 0.000 2.149 222 D HA -0.069 4.677 4.640 0.176 0.000 0.201 222 D C 2.273 178.602 176.300 0.048 0.000 0.972 222 D CA 0.266 54.289 54.000 0.039 0.000 0.835 222 D CB -0.113 40.745 40.800 0.097 0.000 0.966 222 D HN 0.056 nan 8.370 nan 0.000 0.476 223 V N 1.172 121.102 119.914 0.027 0.000 2.358 223 V HA -0.192 4.033 4.120 0.176 0.000 0.246 223 V C 2.254 178.214 176.094 -0.223 0.000 1.047 223 V CA 1.518 63.743 62.300 -0.125 0.000 1.035 223 V CB -0.363 31.397 31.823 -0.105 0.000 0.658 223 V HN 0.193 nan 8.190 nan 0.000 0.452 224 E N -0.285 119.819 120.200 -0.160 0.000 2.106 224 E HA -0.244 4.212 4.350 0.176 0.000 0.192 224 E C 2.249 178.699 176.600 -0.251 0.000 0.984 224 E CA 1.201 57.493 56.400 -0.179 0.000 0.806 224 E CB -0.051 29.575 29.700 -0.123 0.000 0.750 224 E HN 0.684 nan 8.360 nan 0.000 0.458 225 E N 0.720 120.756 120.200 -0.274 0.000 2.031 225 E HA -0.213 4.243 4.350 0.176 0.000 0.193 225 E C 2.065 178.173 176.600 -0.820 0.000 0.994 225 E CA 1.083 57.204 56.400 -0.466 0.000 0.800 225 E CB -0.063 29.439 29.700 -0.330 0.000 0.752 225 E HN 0.199 nan 8.360 nan 0.000 0.447 226 A N 1.178 123.681 122.820 -0.528 0.000 1.902 226 A HA -0.186 4.239 4.320 0.176 0.000 0.217 226 A C 2.195 179.568 177.584 -0.351 0.000 1.181 226 A CA 1.559 53.349 52.037 -0.412 0.000 0.623 226 A CB -0.531 18.429 19.000 -0.067 0.000 0.818 226 A HN 0.196 nan 8.150 nan 0.000 0.443 227 R N 0.023 120.313 120.500 -0.350 0.000 2.115 227 R HA -0.163 4.282 4.340 0.176 0.000 0.230 227 R C 2.430 178.610 176.300 -0.200 0.000 1.111 227 R CA 1.579 57.524 56.100 -0.257 0.000 0.976 227 R CB -0.198 29.953 30.300 -0.248 0.000 0.870 227 R HN 0.738 nan 8.270 nan 0.000 0.445 228 R N -1.237 119.107 120.500 -0.260 0.000 2.115 228 R HA -0.118 4.328 4.340 0.176 0.000 0.226 228 R C 1.727 177.983 176.300 -0.074 0.000 1.100 228 R CA 1.464 57.459 56.100 -0.175 0.000 0.980 228 R CB -0.854 29.344 30.300 -0.170 0.000 0.875 228 R HN 0.334 nan 8.270 nan 0.000 0.445 229 Y N 1.643 121.889 120.300 -0.090 0.000 2.128 229 Y HA -0.195 4.463 4.550 0.180 0.000 0.284 229 Y C 2.362 178.214 175.900 -0.080 0.000 1.154 229 Y CA 0.816 58.859 58.100 -0.095 0.000 1.149 229 Y CB -0.206 38.191 38.460 -0.106 0.000 0.976 229 Y HN -0.030 nan 8.280 nan 0.000 0.505 230 L N -0.374 120.896 121.223 0.078 0.000 2.109 230 L HA -0.162 4.284 4.340 0.176 0.000 0.207 230 L C 2.503 179.370 176.870 -0.006 0.000 1.086 230 L CA 1.046 55.899 54.840 0.021 0.000 0.760 230 L CB -0.483 41.568 42.059 -0.013 0.000 0.910 230 L HN 0.176 nan 8.230 nan 0.000 0.437 231 R N -0.099 120.385 120.500 -0.026 0.000 2.081 231 R HA -0.182 4.264 4.340 0.176 0.000 0.235 231 R C 2.393 178.685 176.300 -0.013 0.000 1.131 231 R CA 1.345 57.427 56.100 -0.029 0.000 0.960 231 R CB -0.354 29.918 30.300 -0.046 0.000 0.856 231 R HN 0.290 nan 8.270 nan 0.000 0.436 232 R N 0.901 121.401 120.500 -0.000 0.000 2.073 232 R HA -0.139 4.306 4.340 0.176 0.000 0.234 232 R C 2.247 178.547 176.300 0.000 0.000 1.134 232 R CA 1.619 57.723 56.100 0.006 0.000 0.952 232 R CB -0.333 29.981 30.300 0.023 0.000 0.850 232 R HN 0.220 nan 8.270 nan 0.000 0.433 233 A N 0.646 123.467 122.820 0.000 0.000 1.927 233 A HA -0.200 4.226 4.320 0.176 0.000 0.220 233 A C 2.316 179.896 177.584 -0.007 0.000 1.185 233 A CA 2.051 54.082 52.037 -0.010 0.000 0.639 233 A CB -0.875 18.119 19.000 -0.009 0.000 0.820 233 A HN 0.582 nan 8.150 nan 0.000 0.451 234 A N -0.888 121.928 122.820 -0.006 0.000 2.119 234 A HA 0.111 4.537 4.320 0.176 0.000 0.216 234 A C 1.095 178.676 177.584 -0.004 0.000 1.152 234 A CA 0.737 52.770 52.037 -0.006 0.000 0.708 234 A CB -0.228 18.765 19.000 -0.011 0.000 0.805 234 A HN 0.645 nan 8.150 nan 0.000 0.460 235 E N 0.861 121.058 120.200 -0.004 0.000 2.259 235 E HA 0.253 4.709 4.350 0.176 0.000 0.281 235 E C -0.297 176.306 176.600 0.004 0.000 1.027 235 E CA -0.574 55.825 56.400 -0.002 0.000 0.838 235 E CB 0.464 30.162 29.700 -0.003 0.000 1.066 235 E HN 0.264 nan 8.360 nan 0.000 0.401 236 K N 5.313 125.717 120.400 0.007 0.000 2.322 236 K HA 0.211 4.636 4.320 0.176 0.000 0.283 236 K C -2.220 174.389 176.600 0.015 0.000 1.042 236 K CA -1.614 54.681 56.287 0.013 0.000 0.958 236 K CB 0.562 33.071 32.500 0.016 0.000 0.984 236 K HN 0.346 nan 8.250 nan 0.000 0.473 237 P HA -0.005 nan 4.420 nan 0.000 0.268 237 P C -0.270 177.042 177.300 0.021 0.000 1.205 237 P CA -0.083 63.030 63.100 0.022 0.000 0.771 237 P CB 1.141 32.859 31.700 0.031 0.000 0.858 238 A N 3.885 126.714 122.820 0.014 0.000 1.877 238 A HA -0.122 4.303 4.320 0.176 0.000 0.216 238 A C 0.730 178.320 177.584 0.009 0.000 1.186 238 A CA 1.474 53.517 52.037 0.009 0.000 0.620 238 A CB -0.380 18.623 19.000 0.004 0.000 0.822 238 A HN 0.543 nan 8.150 nan 0.000 0.443 239 K N -0.486 119.918 120.400 0.007 0.000 2.316 239 K HA 0.650 5.076 4.320 0.176 0.000 0.251 239 K C -1.396 175.211 176.600 0.011 0.000 0.934 239 K CA -0.488 55.797 56.287 -0.004 0.000 0.802 239 K CB 1.989 34.477 32.500 -0.019 0.000 1.171 239 K HN 0.219 nan 8.250 nan 0.000 0.426 240 L N 3.835 125.063 121.223 0.008 0.000 2.325 240 L HA 0.296 4.741 4.340 0.176 0.000 0.279 240 L C 1.458 178.340 176.870 0.019 0.000 1.054 240 L CA -0.551 54.328 54.840 0.065 0.000 0.804 240 L CB 0.952 43.132 42.059 0.201 0.000 1.200 240 L HN 0.567 nan 8.230 nan 0.000 0.436 241 L N 1.850 123.120 121.223 0.078 0.000 2.191 241 L HA -0.251 4.195 4.340 0.176 0.000 0.212 241 L C 2.271 179.183 176.870 0.070 0.000 1.103 241 L CA 1.395 56.270 54.840 0.058 0.000 0.769 241 L CB -0.512 41.595 42.059 0.081 0.000 0.908 241 L HN 0.743 nan 8.230 nan 0.000 0.438 242 Y N 0.395 120.721 120.300 0.043 0.000 2.242 242 Y HA -0.183 4.473 4.550 0.175 0.000 0.291 242 Y C 2.163 178.084 175.900 0.035 0.000 1.137 242 Y CA 1.105 59.235 58.100 0.049 0.000 1.181 242 Y CB -0.634 37.863 38.460 0.060 0.000 0.989 242 Y HN 0.129 nan 8.280 nan 0.000 0.527 243 E N 0.440 120.099 120.200 -0.903 0.000 2.085 243 E HA -0.229 4.226 4.350 0.176 0.000 0.194 243 E C 1.832 178.259 176.600 -0.288 0.000 0.994 243 E CA 1.349 57.325 56.400 -0.706 0.000 0.801 243 E CB -0.113 29.274 29.700 -0.522 0.000 0.743 243 E HN 0.461 nan 8.360 nan 0.000 0.453 244 E N 0.506 120.601 120.200 -0.176 0.000 2.041 244 E HA -0.176 4.279 4.350 0.176 0.000 0.227 244 E C 0.322 176.876 176.600 -0.076 0.000 1.039 244 E CA 1.688 58.031 56.400 -0.096 0.000 0.904 244 E CB -0.209 29.456 29.700 -0.058 0.000 0.808 244 E HN 0.293 nan 8.360 nan 0.000 0.510 245 A N 0.000 122.786 122.820 -0.057 0.000 2.254 245 A HA 0.000 4.425 4.320 0.176 0.000 0.244 245 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 245 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486