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 2qs9_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPSKAVIVPG NGGGDVTTHG WYGWVKKELE KIPGFQCLAK NXPDPITARE DATA SEQUENCE SIWLPFXETE LHCDEKTIII GHSSGAIAAX RYAETHRVYA IVLVSAYTSD DATA SEQUENCE LGDENERASG YFTRPWQWEK IKANCPYIVQ FGSTDDPFLP WKEQQEVADR DATA SEQUENCE LETKLHKFTD CGHFQNTEFH ELITVVKSLL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.470 174.600 -0.216 0.000 1.055 3 S CA 0.000 58.151 58.200 -0.081 0.000 1.107 3 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 4 P HA 0.269 nan 4.420 nan 0.000 0.276 4 P C 0.594 177.855 177.300 -0.065 0.000 1.235 4 P CA 0.027 62.878 63.100 -0.415 0.000 0.772 4 P CB 1.456 32.717 31.700 -0.732 0.000 0.871 5 S N 2.274 117.973 115.700 -0.001 0.000 2.520 5 S HA 0.158 4.626 4.470 -0.004 0.000 0.219 5 S C 0.487 175.004 174.600 -0.139 0.000 1.028 5 S CA -0.092 58.117 58.200 0.015 0.000 0.921 5 S CB -0.167 63.009 63.200 -0.039 0.000 0.844 5 S HN 0.637 nan 8.310 nan 0.000 0.495 6 K N -0.495 119.774 120.400 -0.218 0.000 2.615 6 K HA 0.785 5.102 4.320 -0.004 0.000 0.291 6 K C -1.714 174.670 176.600 -0.361 0.000 1.017 6 K CA -0.944 54.923 56.287 -0.700 0.000 0.882 6 K CB 1.036 33.281 32.500 -0.426 0.000 1.522 6 K HN 0.123 nan 8.250 nan 0.000 0.412 7 A N 0.910 123.476 122.820 -0.425 0.000 2.365 7 A HA 0.723 5.041 4.320 -0.004 0.000 0.318 7 A C -1.267 176.270 177.584 -0.077 0.000 1.091 7 A CA -0.815 51.200 52.037 -0.036 0.000 0.763 7 A CB 1.833 20.940 19.000 0.179 0.000 1.248 7 A HN 0.354 nan 8.150 nan 0.000 0.442 8 V N 3.124 123.022 119.914 -0.026 0.000 2.531 8 V HA 0.363 4.481 4.120 -0.004 0.000 0.301 8 V C -0.530 175.548 176.094 -0.026 0.000 1.034 8 V CA -0.183 62.082 62.300 -0.058 0.000 0.865 8 V CB 1.539 33.300 31.823 -0.103 0.000 0.995 8 V HN 0.761 nan 8.190 nan 0.000 0.424 9 I N 5.048 125.597 120.570 -0.035 0.000 2.315 9 I HA 0.377 4.545 4.170 -0.004 0.000 0.291 9 I C -0.441 175.582 176.117 -0.155 0.000 1.006 9 I CA -0.565 60.715 61.300 -0.032 0.000 1.265 9 I CB 1.676 39.671 38.000 -0.008 0.000 1.387 9 I HN 0.273 nan 8.210 nan 0.000 0.475 10 V N 9.147 128.986 119.914 -0.124 0.000 2.328 10 V HA 0.310 4.428 4.120 -0.004 0.000 0.278 10 V C -1.830 174.158 176.094 -0.175 0.000 1.021 10 V CA -1.539 60.645 62.300 -0.194 0.000 0.838 10 V CB 1.115 32.876 31.823 -0.103 0.000 0.999 10 V HN 0.596 nan 8.190 nan 0.000 0.447 11 P HA 0.242 nan 4.420 nan 0.000 0.275 11 P C 0.295 177.675 177.300 0.134 0.000 1.266 11 P CA 0.018 62.916 63.100 -0.337 0.000 0.793 11 P CB 1.100 32.439 31.700 -0.601 0.000 1.074 12 G N 0.525 109.469 108.800 0.241 0.000 2.616 12 G HA2 0.253 4.211 3.960 -0.004 0.000 0.268 12 G HA3 0.253 4.211 3.960 -0.004 0.000 0.268 12 G C -0.023 175.097 174.900 0.366 0.000 1.213 12 G CA -0.595 44.660 45.100 0.258 0.000 0.926 12 G HN 0.711 nan 8.290 nan 0.000 0.523 13 N N -1.191 117.680 118.700 0.285 0.000 2.424 13 N HA 0.564 5.302 4.740 -0.004 0.000 0.257 13 N C 0.725 176.345 175.510 0.183 0.000 1.250 13 N CA 0.053 53.247 53.050 0.240 0.000 0.946 13 N CB 1.468 40.000 38.487 0.075 0.000 1.175 13 N HN 0.997 nan 8.380 nan 0.000 0.477 14 G N -2.666 106.223 108.800 0.148 0.000 3.768 14 G HA2 0.255 4.212 3.960 -0.004 0.000 0.214 14 G HA3 0.255 4.212 3.960 -0.004 0.000 0.214 14 G C 0.643 175.580 174.900 0.063 0.000 1.058 14 G CA 0.314 45.473 45.100 0.098 0.000 0.890 14 G HN 1.606 nan 8.290 nan 0.000 0.393 15 G N -0.177 108.668 108.800 0.074 0.000 2.232 15 G HA2 0.233 4.191 3.960 -0.004 0.000 0.226 15 G HA3 0.233 4.191 3.960 -0.004 0.000 0.226 15 G C 1.282 176.158 174.900 -0.040 0.000 0.996 15 G CA 0.987 46.101 45.100 0.024 0.000 0.626 15 G HN 1.957 nan 8.290 nan 0.000 0.509 16 G N 0.244 108.973 108.800 -0.117 0.000 2.554 16 G HA2 0.376 4.334 3.960 -0.004 0.000 0.238 16 G HA3 0.376 4.334 3.960 -0.004 0.000 0.238 16 G C -0.145 174.596 174.900 -0.265 0.000 1.259 16 G CA 0.580 45.488 45.100 -0.320 0.000 0.843 16 G HN 0.309 nan 8.290 nan 0.000 0.582 17 D N 0.823 121.105 120.400 -0.196 0.000 2.417 17 D HA -0.061 4.577 4.640 -0.004 0.000 0.250 17 D C 1.543 177.902 176.300 0.098 0.000 1.166 17 D CA -0.317 53.658 54.000 -0.041 0.000 0.881 17 D CB 1.599 42.393 40.800 -0.010 0.000 1.164 17 D HN 0.034 nan 8.370 nan 0.000 0.467 18 V N 4.061 124.072 119.914 0.162 0.000 2.660 18 V HA -0.249 3.869 4.120 -0.004 0.000 0.257 18 V C 2.105 178.388 176.094 0.315 0.000 1.088 18 V CA 2.888 65.361 62.300 0.288 0.000 1.106 18 V CB -0.465 31.389 31.823 0.051 0.000 0.686 18 V HN 0.820 nan 8.190 nan 0.000 0.481 19 T N -3.709 110.964 114.554 0.200 0.000 3.081 19 T HA -0.020 4.327 4.350 -0.004 0.000 0.250 19 T C 1.379 176.179 174.700 0.167 0.000 1.100 19 T CA 0.961 63.161 62.100 0.167 0.000 1.038 19 T CB -0.135 68.795 68.868 0.104 0.000 0.962 19 T HN 0.647 nan 8.240 nan 0.000 0.516 20 T N -0.696 113.971 114.554 0.188 0.000 3.044 20 T HA 0.283 4.630 4.350 -0.004 0.000 0.260 20 T C 0.327 175.151 174.700 0.206 0.000 1.019 20 T CA -0.334 61.855 62.100 0.149 0.000 0.921 20 T CB -0.578 68.337 68.868 0.079 0.000 1.053 20 T HN 0.883 nan 8.240 nan 0.000 0.533 21 H N -1.705 117.387 119.070 0.037 0.000 2.946 21 H HA 0.678 5.232 4.556 -0.004 0.000 0.365 21 H C 0.598 175.815 175.328 -0.185 0.000 1.197 21 H CA -0.835 55.198 56.048 -0.024 0.000 1.131 21 H CB 1.321 31.087 29.762 0.006 0.000 1.849 21 H HN 0.293 nan 8.280 nan 0.000 0.555 22 G N 0.297 108.868 108.800 -0.383 0.000 2.645 22 G HA2 -0.328 3.630 3.960 -0.004 0.000 0.246 22 G HA3 -0.328 3.630 3.960 -0.004 0.000 0.246 22 G C 0.402 175.012 174.900 -0.482 0.000 1.322 22 G CA 0.165 44.836 45.100 -0.716 0.000 0.898 22 G HN 1.138 nan 8.290 nan 0.000 0.573 23 W N -0.777 120.243 121.300 -0.466 0.000 3.278 23 W HA 0.320 4.978 4.660 -0.004 0.000 0.308 23 W C 1.451 178.003 176.519 0.054 0.000 1.253 23 W CA 0.360 57.629 57.345 -0.127 0.000 1.759 23 W CB -0.697 28.745 29.460 -0.031 0.000 1.093 23 W HN 0.491 nan 8.180 nan 0.000 0.648 24 Y N 2.570 122.817 120.300 -0.088 0.000 2.114 24 Y HA -0.133 4.415 4.550 -0.004 0.000 0.282 24 Y C 2.852 178.860 175.900 0.180 0.000 1.165 24 Y CA 1.584 59.684 58.100 -0.001 0.000 1.148 24 Y CB -1.627 36.721 38.460 -0.187 0.000 0.972 24 Y HN 0.016 nan 8.280 nan 0.000 0.504 25 G N -1.288 107.696 108.800 0.307 0.000 2.421 25 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.216 25 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.216 25 G C 1.562 176.632 174.900 0.283 0.000 1.171 25 G CA 0.736 45.987 45.100 0.252 0.000 0.775 25 G HN 0.564 nan 8.290 nan 0.000 0.543 26 W N 0.892 122.293 121.300 0.169 0.000 2.355 26 W HA -0.085 4.573 4.660 -0.004 0.000 0.309 26 W C 2.545 179.169 176.519 0.175 0.000 1.206 26 W CA 1.733 59.173 57.345 0.159 0.000 1.284 26 W CB -0.285 29.274 29.460 0.165 0.000 1.145 26 W HN 0.035 nan 8.180 nan 0.000 0.502 27 V N 1.179 121.405 119.914 0.521 0.000 2.407 27 V HA -0.332 3.785 4.120 -0.004 0.000 0.248 27 V C 2.424 178.590 176.094 0.120 0.000 1.055 27 V CA 2.339 64.832 62.300 0.321 0.000 1.049 27 V CB -0.997 31.137 31.823 0.519 0.000 0.662 27 V HN 0.206 nan 8.190 nan 0.000 0.455 28 K N 0.518 121.015 120.400 0.162 0.000 2.026 28 K HA -0.266 4.052 4.320 -0.004 0.000 0.208 28 K C 2.325 178.927 176.600 0.003 0.000 1.048 28 K CA 2.055 58.394 56.287 0.087 0.000 0.929 28 K CB -0.217 32.342 32.500 0.097 0.000 0.713 28 K HN 0.394 nan 8.250 nan 0.000 0.439 29 K N 0.410 120.784 120.400 -0.043 0.000 2.063 29 K HA -0.187 4.130 4.320 -0.004 0.000 0.208 29 K C 1.876 178.361 176.600 -0.190 0.000 1.048 29 K CA 1.657 57.876 56.287 -0.112 0.000 0.928 29 K CB 0.039 32.452 32.500 -0.145 0.000 0.713 29 K HN 0.134 nan 8.250 nan 0.000 0.442 30 E N 0.883 120.879 120.200 -0.341 0.000 2.047 30 E HA -0.155 4.193 4.350 -0.004 0.000 0.191 30 E C 2.143 178.653 176.600 -0.151 0.000 0.987 30 E CA 0.997 57.179 56.400 -0.363 0.000 0.799 30 E CB -0.174 29.142 29.700 -0.640 0.000 0.752 30 E HN 0.392 nan 8.360 nan 0.000 0.449 31 L N 0.794 121.983 121.223 -0.057 0.000 2.131 31 L HA -0.149 4.188 4.340 -0.004 0.000 0.210 31 L C 2.109 179.073 176.870 0.157 0.000 1.092 31 L CA 1.018 55.912 54.840 0.090 0.000 0.759 31 L CB -0.378 41.812 42.059 0.219 0.000 0.903 31 L HN 0.097 nan 8.230 nan 0.000 0.435 32 E N 0.182 120.419 120.200 0.062 0.000 2.409 32 E HA -0.169 4.179 4.350 -0.004 0.000 0.198 32 E C 1.804 178.422 176.600 0.030 0.000 1.024 32 E CA 0.502 56.930 56.400 0.048 0.000 0.861 32 E CB 0.069 29.768 29.700 -0.001 0.000 0.788 32 E HN 0.451 nan 8.360 nan 0.000 0.521 33 K N 0.532 120.931 120.400 -0.002 0.000 2.365 33 K HA 0.027 4.344 4.320 -0.004 0.000 0.199 33 K C 0.549 177.148 176.600 -0.002 0.000 1.045 33 K CA 0.314 56.590 56.287 -0.018 0.000 0.962 33 K CB 0.125 32.594 32.500 -0.052 0.000 0.759 33 K HN 0.123 nan 8.250 nan 0.000 0.469 34 I N 4.439 125.023 120.570 0.023 0.000 2.505 34 I HA 0.023 4.191 4.170 -0.004 0.000 0.287 34 I C -2.011 174.138 176.117 0.054 0.000 1.104 34 I CA -2.067 59.237 61.300 0.006 0.000 1.387 34 I CB 0.282 38.249 38.000 -0.053 0.000 1.404 34 I HN -0.108 nan 8.210 nan 0.000 0.528 35 P HA -0.007 nan 4.420 nan 0.000 0.263 35 P C 0.798 178.131 177.300 0.055 0.000 1.195 35 P CA 0.501 63.618 63.100 0.028 0.000 0.762 35 P CB 0.822 32.526 31.700 0.005 0.000 0.799 36 G N 1.994 110.828 108.800 0.057 0.000 2.184 36 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.264 36 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.264 36 G C -0.258 174.713 174.900 0.119 0.000 0.975 36 G CA -0.148 44.988 45.100 0.060 0.000 0.642 36 G HN 0.535 nan 8.290 nan 0.000 0.536 37 F N 1.026 120.948 119.950 -0.047 0.000 2.458 37 F HA 0.791 5.316 4.527 -0.004 0.000 0.330 37 F C 0.112 175.885 175.800 -0.044 0.000 1.082 37 F CA -1.079 56.891 58.000 -0.051 0.000 0.995 37 F CB 1.777 40.744 39.000 -0.056 0.000 1.170 37 F HN 0.057 nan 8.300 nan 0.000 0.478 38 Q N 3.193 122.595 119.800 -0.663 0.000 2.433 38 Q HA 0.442 4.780 4.340 -0.004 0.000 0.279 38 Q C -1.628 174.019 176.000 -0.588 0.000 1.105 38 Q CA -0.516 55.025 55.803 -0.436 0.000 0.815 38 Q CB 2.265 30.829 28.738 -0.291 0.000 1.403 38 Q HN 0.828 nan 8.270 nan 0.000 0.435 39 C N 3.739 122.876 119.300 -0.272 0.000 2.432 39 C HA 0.614 5.071 4.460 -0.004 0.000 0.334 39 C C -0.977 173.951 174.990 -0.102 0.000 1.155 39 C CA -0.540 58.373 59.018 -0.175 0.000 1.335 39 C CB -0.229 27.489 27.740 -0.037 0.000 1.964 39 C HN 0.735 nan 8.230 nan 0.000 0.444 40 L N 5.470 126.631 121.223 -0.103 0.000 2.325 40 L HA 0.776 5.114 4.340 -0.004 0.000 0.279 40 L C 0.384 177.217 176.870 -0.061 0.000 1.054 40 L CA -0.181 54.612 54.840 -0.078 0.000 0.804 40 L CB 1.419 43.422 42.059 -0.093 0.000 1.200 40 L HN 0.841 nan 8.230 nan 0.000 0.436 41 A N 3.634 126.424 122.820 -0.049 0.000 2.604 41 A HA 0.571 4.889 4.320 -0.004 0.000 0.285 41 A C -0.915 176.640 177.584 -0.048 0.000 1.095 41 A CA -0.728 51.271 52.037 -0.063 0.000 0.842 41 A CB 0.775 19.760 19.000 -0.025 0.000 1.385 41 A HN 0.714 nan 8.150 nan 0.000 0.404 42 K N 1.282 121.649 120.400 -0.055 0.000 2.395 42 K HA 0.426 4.744 4.320 -0.004 0.000 0.247 42 K C -0.145 176.418 176.600 -0.061 0.000 0.973 42 K CA -0.850 55.431 56.287 -0.011 0.000 0.828 42 K CB 2.143 34.686 32.500 0.072 0.000 1.272 42 K HN 0.784 nan 8.250 nan 0.000 0.439 46 D N 1.396 121.837 120.400 0.070 0.000 2.697 46 D HA -0.139 4.498 4.640 -0.004 0.000 0.235 46 D C -0.962 175.484 176.300 0.244 0.000 1.167 46 D CA 1.152 55.223 54.000 0.117 0.000 0.656 46 D CB -0.154 40.702 40.800 0.093 0.000 1.025 46 D HN 0.230 nan 8.370 nan 0.000 0.419 47 P HA -0.164 nan 4.420 nan 0.000 0.222 47 P C 1.650 179.070 177.300 0.200 0.000 1.147 47 P CA 0.604 63.878 63.100 0.290 0.000 0.790 47 P CB 0.183 31.964 31.700 0.135 0.000 0.780 48 I N 0.526 121.148 120.570 0.086 0.000 2.270 48 I HA -0.090 4.078 4.170 -0.004 0.000 0.239 48 I C 2.287 178.391 176.117 -0.023 0.000 1.080 48 I CA 1.931 63.251 61.300 0.033 0.000 1.383 48 I CB -2.335 35.673 38.000 0.012 0.000 1.097 48 I HN 0.028 nan 8.210 nan 0.000 0.420 49 T N 0.661 115.178 114.554 -0.061 0.000 2.985 49 T HA 0.234 4.582 4.350 -0.004 0.000 0.266 49 T C 1.325 175.860 174.700 -0.276 0.000 1.076 49 T CA 0.718 62.745 62.100 -0.122 0.000 1.135 49 T CB -0.356 68.447 68.868 -0.109 0.000 0.890 49 T HN 0.498 nan 8.240 nan 0.000 0.480 50 A N 1.742 124.307 122.820 -0.426 0.000 2.745 50 A HA -0.225 4.093 4.320 -0.004 0.000 0.296 50 A C 0.534 177.529 177.584 -0.982 0.000 1.500 50 A CA 0.437 51.745 52.037 -1.215 0.000 0.766 50 A CB -2.281 15.839 19.000 -1.467 0.000 1.030 50 A HN 0.630 nan 8.150 nan 0.000 0.489 51 R N -0.249 119.915 120.500 -0.559 0.000 2.504 51 R HA 0.070 4.408 4.340 -0.004 0.000 0.291 51 R C 1.389 177.420 176.300 -0.450 0.000 0.974 51 R CA 0.595 56.417 56.100 -0.464 0.000 1.077 51 R CB 0.305 30.459 30.300 -0.243 0.000 0.926 51 R HN 0.762 nan 8.270 nan 0.000 0.407 52 E N 2.045 121.805 120.200 -0.733 0.000 2.070 52 E HA -0.271 4.077 4.350 -0.004 0.000 0.197 52 E C 1.396 177.954 176.600 -0.070 0.000 1.004 52 E CA 2.091 58.207 56.400 -0.473 0.000 0.805 52 E CB 0.103 29.413 29.700 -0.650 0.000 0.744 52 E HN 0.717 nan 8.360 nan 0.000 0.451 53 S N -0.404 115.230 115.700 -0.110 0.000 2.469 53 S HA -0.100 4.368 4.470 -0.004 0.000 0.238 53 S C 1.828 176.466 174.600 0.063 0.000 0.998 53 S CA 0.967 59.159 58.200 -0.014 0.000 0.957 53 S CB -0.242 62.929 63.200 -0.049 0.000 0.764 53 S HN 0.354 nan 8.310 nan 0.000 0.514 54 I N -1.839 118.787 120.570 0.094 0.000 3.039 54 I HA 0.178 4.346 4.170 -0.004 0.000 0.270 54 I C 2.097 178.416 176.117 0.337 0.000 1.150 54 I CA 0.099 61.507 61.300 0.179 0.000 1.448 54 I CB -0.216 37.873 38.000 0.149 0.000 1.197 54 I HN 0.258 nan 8.210 nan 0.000 0.450 55 W N 1.266 122.604 121.300 0.063 0.000 2.379 55 W HA -0.106 4.551 4.660 -0.005 0.000 0.307 55 W C 2.286 178.915 176.519 0.184 0.000 1.200 55 W CA 0.715 58.132 57.345 0.119 0.000 1.297 55 W CB -0.920 28.635 29.460 0.157 0.000 1.140 55 W HN 0.033 nan 8.180 nan 0.000 0.507 56 L N 0.031 121.515 121.223 0.434 0.000 2.017 56 L HA -0.151 4.187 4.340 -0.004 0.000 0.208 56 L C -0.361 176.709 176.870 0.333 0.000 1.073 56 L CA 2.107 57.194 54.840 0.412 0.000 0.745 56 L CB -2.293 40.023 42.059 0.427 0.000 0.894 56 L HN -0.140 nan 8.230 nan 0.000 0.432 57 P HA -0.168 nan 4.420 nan 0.000 0.217 57 P C 0.801 178.188 177.300 0.146 0.000 1.150 57 P CA 0.798 64.015 63.100 0.196 0.000 0.832 57 P CB -0.013 31.784 31.700 0.161 0.000 0.787 61 T N 1.162 115.594 114.554 -0.202 0.000 2.852 61 T HA 0.020 4.368 4.350 -0.004 0.000 0.256 61 T C 1.321 175.660 174.700 -0.602 0.000 1.038 61 T CA 1.230 63.169 62.100 -0.270 0.000 1.141 61 T CB -0.022 68.760 68.868 -0.143 0.000 0.869 61 T HN 0.080 nan 8.240 nan 0.000 0.439 62 E N 0.945 120.680 120.200 -0.776 0.000 2.216 62 E HA 0.214 4.561 4.350 -0.004 0.000 0.192 62 E C 1.933 177.951 176.600 -0.970 0.000 0.973 62 E CA 0.413 56.240 56.400 -0.955 0.000 0.851 62 E CB 0.008 28.896 29.700 -1.352 0.000 0.804 62 E HN 0.416 nan 8.360 nan 0.000 0.477 63 L N 0.490 121.208 121.223 -0.841 0.000 2.607 63 L HA 0.132 4.469 4.340 -0.004 0.000 0.228 63 L C -0.125 176.554 176.870 -0.318 0.000 1.123 63 L CA -0.056 54.485 54.840 -0.500 0.000 0.890 63 L CB -0.317 41.511 42.059 -0.385 0.000 1.103 63 L HN 0.153 nan 8.230 nan 0.000 0.468 64 H N -1.370 117.580 119.070 -0.201 0.000 2.655 64 H HA -0.181 4.373 4.556 -0.004 0.000 0.313 64 H C 0.214 175.489 175.328 -0.087 0.000 1.141 64 H CA 0.288 56.265 56.048 -0.118 0.000 1.138 64 H CB -2.290 27.409 29.762 -0.105 0.000 1.446 64 H HN 0.342 nan 8.280 nan 0.000 0.415 65 C N 2.472 121.733 119.300 -0.065 0.000 2.619 65 C HA 0.239 4.697 4.460 -0.004 0.000 0.389 65 C C 1.256 176.325 174.990 0.131 0.000 1.314 65 C CA 0.060 59.053 59.018 -0.042 0.000 1.678 65 C CB -0.691 26.855 27.740 -0.325 0.000 2.398 65 C HN 0.642 nan 8.230 nan 0.000 0.582 66 D N 1.627 122.109 120.400 0.136 0.000 2.846 66 D HA 0.210 4.848 4.640 -0.004 0.000 0.273 66 D C 0.951 177.356 176.300 0.174 0.000 1.145 66 D CA -0.594 53.505 54.000 0.166 0.000 1.091 66 D CB 0.125 40.999 40.800 0.123 0.000 1.364 66 D HN 0.394 nan 8.370 nan 0.000 0.613 67 E N 0.072 120.367 120.200 0.158 0.000 2.463 67 E HA -0.185 4.163 4.350 -0.004 0.000 0.201 67 E C 0.241 176.975 176.600 0.223 0.000 1.045 67 E CA 0.941 57.447 56.400 0.176 0.000 0.872 67 E CB -0.316 29.466 29.700 0.137 0.000 0.797 67 E HN 0.544 nan 8.360 nan 0.000 0.538 68 K N 0.573 121.071 120.400 0.163 0.000 2.478 68 K HA 0.205 4.522 4.320 -0.004 0.000 0.205 68 K C -0.438 176.216 176.600 0.090 0.000 1.033 68 K CA -0.075 56.279 56.287 0.112 0.000 1.091 68 K CB 1.161 33.686 32.500 0.041 0.000 0.844 68 K HN -0.074 nan 8.250 nan 0.000 0.507 69 T N 1.238 115.886 114.554 0.156 0.000 2.859 69 T HA 0.453 4.800 4.350 -0.004 0.000 0.281 69 T C -0.080 174.743 174.700 0.204 0.000 1.005 69 T CA -0.502 61.672 62.100 0.124 0.000 1.025 69 T CB 1.646 70.559 68.868 0.075 0.000 0.977 69 T HN 0.036 nan 8.240 nan 0.000 0.458 70 I N 3.526 124.207 120.570 0.186 0.000 2.328 70 I HA 0.370 4.537 4.170 -0.004 0.000 0.287 70 I C -0.248 175.953 176.117 0.139 0.000 1.012 70 I CA -0.593 60.842 61.300 0.224 0.000 1.195 70 I CB 0.828 38.983 38.000 0.260 0.000 1.350 70 I HN 0.444 nan 8.210 nan 0.000 0.464 71 I N 7.442 128.084 120.570 0.119 0.000 2.325 71 I HA 0.323 4.490 4.170 -0.004 0.000 0.291 71 I C -0.087 176.086 176.117 0.093 0.000 1.019 71 I CA -0.355 60.985 61.300 0.066 0.000 1.302 71 I CB 1.067 39.084 38.000 0.028 0.000 1.401 71 I HN 0.399 nan 8.210 nan 0.000 0.485 72 I N 6.029 126.658 120.570 0.098 0.000 2.330 72 I HA 0.362 4.530 4.170 -0.004 0.000 0.286 72 I C 0.588 176.812 176.117 0.178 0.000 1.025 72 I CA -0.176 61.215 61.300 0.151 0.000 1.197 72 I CB 1.238 39.351 38.000 0.188 0.000 1.358 72 I HN 0.618 nan 8.210 nan 0.000 0.467 73 G N 3.943 112.859 108.800 0.194 0.000 2.416 73 G HA2 0.407 4.365 3.960 -0.004 0.000 0.324 73 G HA3 0.407 4.365 3.960 -0.004 0.000 0.324 73 G C -1.387 173.721 174.900 0.345 0.000 1.194 73 G CA -0.314 44.912 45.100 0.210 0.000 0.922 73 G HN 0.561 nan 8.290 nan 0.000 0.467 74 H N 1.943 121.160 119.070 0.245 0.000 2.551 74 H HA 0.568 5.122 4.556 -0.004 0.000 0.321 74 H C 0.875 176.367 175.328 0.274 0.000 1.028 74 H CA 0.452 56.688 56.048 0.314 0.000 1.215 74 H CB 1.221 31.216 29.762 0.389 0.000 1.414 74 H HN 0.738 nan 8.280 nan 0.000 0.480 75 S N 2.904 118.696 115.700 0.154 0.000 4.150 75 S HA -0.341 4.127 4.470 -0.004 0.000 0.575 75 S C 1.966 176.737 174.600 0.286 0.000 1.878 75 S CA 2.025 60.360 58.200 0.225 0.000 4.245 75 S CB -1.616 61.616 63.200 0.054 0.000 0.231 75 S HN 0.729 nan 8.310 nan 0.000 0.469 76 S N 1.318 117.181 115.700 0.272 0.000 2.400 76 S HA -0.023 4.445 4.470 -0.004 0.000 0.232 76 S C 1.921 176.607 174.600 0.142 0.000 1.025 76 S CA 1.674 59.978 58.200 0.173 0.000 0.993 76 S CB -0.979 62.296 63.200 0.125 0.000 0.808 76 S HN 1.024 nan 8.310 nan 0.000 0.478 77 G N 0.813 109.794 108.800 0.302 0.000 2.443 77 G HA2 0.041 3.999 3.960 -0.004 0.000 0.219 77 G HA3 0.041 3.999 3.960 -0.004 0.000 0.219 77 G C 1.446 176.436 174.900 0.151 0.000 1.131 77 G CA 0.781 46.057 45.100 0.293 0.000 0.775 77 G HN 0.567 nan 8.290 nan 0.000 0.547 78 A N 0.989 123.889 122.820 0.133 0.000 1.897 78 A HA 0.131 4.449 4.320 -0.004 0.000 0.215 78 A C 2.290 179.862 177.584 -0.020 0.000 1.181 78 A CA 1.013 53.104 52.037 0.090 0.000 0.620 78 A CB -0.194 18.883 19.000 0.127 0.000 0.821 78 A HN 0.247 nan 8.150 nan 0.000 0.443 79 I N 0.302 120.786 120.570 -0.143 0.000 2.226 79 I HA -0.232 3.935 4.170 -0.004 0.000 0.245 79 I C 2.913 178.840 176.117 -0.318 0.000 1.100 79 I CA 1.481 62.618 61.300 -0.271 0.000 1.374 79 I CB -1.701 35.984 38.000 -0.525 0.000 1.057 79 I HN 0.350 nan 8.210 nan 0.000 0.413 80 A N 0.982 123.563 122.820 -0.399 0.000 1.902 80 A HA 0.044 4.362 4.320 -0.004 0.000 0.217 80 A C 1.836 179.493 177.584 0.121 0.000 1.181 80 A CA 1.212 53.174 52.037 -0.125 0.000 0.623 80 A CB -0.797 18.345 19.000 0.236 0.000 0.818 80 A HN 0.404 nan 8.150 nan 0.000 0.443 84 Y N 2.323 122.734 120.300 0.184 0.000 2.181 84 Y HA -0.059 4.489 4.550 -0.003 0.000 0.288 84 Y C 2.083 178.143 175.900 0.266 0.000 1.146 84 Y CA 2.344 60.580 58.100 0.226 0.000 1.164 84 Y CB -0.077 38.452 38.460 0.116 0.000 0.982 84 Y HN 0.179 nan 8.280 nan 0.000 0.515 85 A N -0.343 122.657 122.820 0.301 0.000 2.172 85 A HA -0.120 4.198 4.320 -0.004 0.000 0.216 85 A C 1.984 179.629 177.584 0.101 0.000 1.154 85 A CA 1.376 53.532 52.037 0.198 0.000 0.701 85 A CB -0.603 18.515 19.000 0.198 0.000 0.789 85 A HN 0.637 nan 8.150 nan 0.000 0.465 86 E N -0.737 119.514 120.200 0.084 0.000 2.216 86 E HA -0.086 4.262 4.350 -0.004 0.000 0.192 86 E C 1.288 177.850 176.600 -0.063 0.000 0.988 86 E CA 1.399 57.810 56.400 0.020 0.000 0.834 86 E CB 0.072 29.777 29.700 0.007 0.000 0.772 86 E HN 0.757 nan 8.360 nan 0.000 0.479 87 T N -2.136 112.336 114.554 -0.137 0.000 3.231 87 T HA 0.168 4.515 4.350 -0.004 0.000 0.292 87 T C 0.022 174.340 174.700 -0.636 0.000 1.001 87 T CA -0.522 61.376 62.100 -0.336 0.000 0.920 87 T CB 0.162 68.798 68.868 -0.386 0.000 1.140 87 T HN -0.033 nan 8.240 nan 0.000 0.525 88 H N 0.666 119.594 119.070 -0.237 0.000 2.974 88 H HA 0.459 5.013 4.556 -0.003 0.000 0.366 88 H C -0.690 174.596 175.328 -0.069 0.000 1.155 88 H CA -0.919 54.987 56.048 -0.236 0.000 1.186 88 H CB 1.648 31.057 29.762 -0.589 0.000 1.799 88 H HN -0.052 nan 8.280 nan 0.000 0.541 89 R N 1.730 122.294 120.500 0.106 0.000 2.234 89 R HA 0.319 4.657 4.340 -0.004 0.000 0.324 89 R C -0.487 175.908 176.300 0.159 0.000 1.054 89 R CA -0.450 55.709 56.100 0.097 0.000 0.912 89 R CB 1.454 31.794 30.300 0.067 0.000 1.030 89 R HN 0.332 nan 8.270 nan 0.000 0.455 90 V N 4.032 124.040 119.914 0.157 0.000 2.914 90 V HA 0.161 4.279 4.120 -0.004 0.000 0.314 90 V C 0.463 176.661 176.094 0.173 0.000 1.084 90 V CA -0.631 61.790 62.300 0.201 0.000 0.963 90 V CB 1.964 33.928 31.823 0.235 0.000 1.025 90 V HN 0.806 nan 8.190 nan 0.000 0.432 91 Y N 4.707 125.083 120.300 0.128 0.000 2.163 91 Y HA 0.420 4.967 4.550 -0.004 0.000 0.288 91 Y C 0.713 176.729 175.900 0.194 0.000 1.136 91 Y CA 1.611 59.800 58.100 0.150 0.000 1.147 91 Y CB 0.224 38.780 38.460 0.160 0.000 0.987 91 Y HN 0.875 nan 8.280 nan 0.000 0.509 92 A N -0.768 122.211 122.820 0.265 0.000 2.601 92 A HA 0.616 4.934 4.320 -0.004 0.000 0.291 92 A C -1.784 175.911 177.584 0.186 0.000 1.075 92 A CA -0.643 51.517 52.037 0.205 0.000 0.671 92 A CB 0.598 19.784 19.000 0.310 0.000 1.277 92 A HN 0.095 nan 8.150 nan 0.000 0.417 93 I N 0.704 121.359 120.570 0.141 0.000 2.569 93 I HA 0.473 4.641 4.170 -0.004 0.000 0.290 93 I C -1.076 175.100 176.117 0.097 0.000 1.088 93 I CA -0.991 60.382 61.300 0.121 0.000 1.047 93 I CB 2.319 40.388 38.000 0.114 0.000 1.237 93 I HN 0.337 nan 8.210 nan 0.000 0.421 94 V N 6.983 126.955 119.914 0.097 0.000 2.334 94 V HA 0.408 4.526 4.120 -0.004 0.000 0.281 94 V C -0.101 176.062 176.094 0.114 0.000 1.016 94 V CA -0.481 61.869 62.300 0.083 0.000 0.832 94 V CB 1.409 33.273 31.823 0.069 0.000 0.999 94 V HN 0.442 nan 8.190 nan 0.000 0.439 95 L N 5.689 126.973 121.223 0.102 0.000 2.275 95 L HA 0.606 4.944 4.340 -0.004 0.000 0.288 95 L C -0.479 176.493 176.870 0.169 0.000 1.046 95 L CA -0.615 54.301 54.840 0.126 0.000 0.805 95 L CB 1.646 43.749 42.059 0.072 0.000 1.193 95 L HN 0.338 nan 8.230 nan 0.000 0.426 96 V N 2.064 122.117 119.914 0.233 0.000 2.378 96 V HA 0.263 4.381 4.120 -0.004 0.000 0.288 96 V C 0.219 176.521 176.094 0.345 0.000 1.016 96 V CA -0.507 61.920 62.300 0.212 0.000 0.840 96 V CB 1.282 33.234 31.823 0.216 0.000 0.994 96 V HN 0.936 nan 8.190 nan 0.000 0.431 97 S N 2.546 118.440 115.700 0.324 0.000 3.766 97 S HA -0.126 4.341 4.470 -0.004 0.000 0.416 97 S C 0.315 175.172 174.600 0.429 0.000 0.902 97 S CA 0.439 58.893 58.200 0.423 0.000 1.283 97 S CB -0.873 62.533 63.200 0.344 0.000 0.891 97 S HN 1.493 nan 8.310 nan 0.000 0.556 98 A N 1.117 124.121 122.820 0.306 0.000 2.264 98 A HA 0.914 5.231 4.320 -0.004 0.000 0.304 98 A C -0.168 177.603 177.584 0.312 0.000 1.100 98 A CA -0.385 51.780 52.037 0.213 0.000 0.839 98 A CB 0.730 19.754 19.000 0.040 0.000 1.121 98 A HN 1.276 nan 8.150 nan 0.000 0.496 99 Y N -3.113 117.242 120.300 0.092 0.000 2.853 99 Y HA 0.631 5.178 4.550 -0.004 0.000 0.326 99 Y C 0.707 176.688 175.900 0.134 0.000 1.384 99 Y CA -0.194 57.956 58.100 0.084 0.000 1.077 99 Y CB 0.980 39.516 38.460 0.126 0.000 1.395 99 Y HN 0.576 nan 8.280 nan 0.000 0.451 100 T N -2.773 111.977 114.554 0.325 0.000 2.954 100 T HA 0.330 4.678 4.350 -0.004 0.000 0.252 100 T C 0.374 175.471 174.700 0.661 0.000 0.983 100 T CA 0.545 62.892 62.100 0.411 0.000 0.941 100 T CB -0.339 68.712 68.868 0.304 0.000 1.141 100 T HN 0.937 nan 8.240 nan 0.000 0.500 101 S N 1.637 117.519 115.700 0.304 0.000 2.751 101 S HA 0.476 4.944 4.470 -0.004 0.000 0.310 101 S C 0.146 174.279 174.600 -0.778 0.000 1.128 101 S CA -0.124 58.040 58.200 -0.059 0.000 0.931 101 S CB 1.637 64.861 63.200 0.041 0.000 1.177 101 S HN 0.211 nan 8.310 nan 0.000 0.530 102 D N -0.157 119.780 120.400 -0.773 0.000 2.378 102 D HA 0.045 4.683 4.640 -0.004 0.000 0.227 102 D C 1.067 177.197 176.300 -0.282 0.000 1.012 102 D CA 0.282 53.874 54.000 -0.680 0.000 0.905 102 D CB -1.015 39.652 40.800 -0.223 0.000 0.895 102 D HN 0.660 nan 8.370 nan 0.000 0.532 103 L N -1.720 119.382 121.223 -0.202 0.000 4.367 103 L HA -0.250 4.087 4.340 -0.004 0.000 0.424 103 L C 1.399 178.225 176.870 -0.073 0.000 1.152 103 L CA 0.257 55.026 54.840 -0.117 0.000 0.974 103 L CB -2.275 39.689 42.059 -0.158 0.000 2.012 103 L HN 0.417 nan 8.230 nan 0.000 0.922 104 G N -0.615 108.147 108.800 -0.063 0.000 2.168 104 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.257 104 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.257 104 G C 0.067 174.950 174.900 -0.028 0.000 0.997 104 G CA 0.554 45.635 45.100 -0.032 0.000 0.708 104 G HN 0.614 nan 8.290 nan 0.000 0.520 105 D N -0.133 120.244 120.400 -0.039 0.000 2.233 105 D HA 0.347 4.985 4.640 -0.004 0.000 0.240 105 D C 1.315 177.612 176.300 -0.004 0.000 1.074 105 D CA -0.482 53.504 54.000 -0.024 0.000 0.838 105 D CB 0.805 41.583 40.800 -0.037 0.000 1.124 105 D HN 0.368 nan 8.370 nan 0.000 0.475 106 E N 2.438 122.637 120.200 -0.001 0.000 2.110 106 E HA -0.215 4.133 4.350 -0.004 0.000 0.193 106 E C 1.294 177.902 176.600 0.014 0.000 0.988 106 E CA 0.854 57.258 56.400 0.006 0.000 0.804 106 E CB 0.144 29.844 29.700 -0.001 0.000 0.745 106 E HN 0.431 nan 8.360 nan 0.000 0.458 107 N N 0.677 119.384 118.700 0.011 0.000 2.188 107 N HA -0.155 4.583 4.740 -0.004 0.000 0.184 107 N C 1.663 177.207 175.510 0.057 0.000 1.018 107 N CA 0.953 54.011 53.050 0.014 0.000 0.858 107 N CB 0.189 38.676 38.487 0.000 0.000 0.989 107 N HN 0.027 nan 8.380 nan 0.000 0.426 108 E N 0.011 120.267 120.200 0.093 0.000 2.077 108 E HA -0.164 4.183 4.350 -0.004 0.000 0.193 108 E C 2.390 179.177 176.600 0.313 0.000 0.989 108 E CA 1.484 58.023 56.400 0.231 0.000 0.800 108 E CB -0.508 29.270 29.700 0.131 0.000 0.746 108 E HN 0.561 nan 8.360 nan 0.000 0.452 109 R N 1.052 121.653 120.500 0.168 0.000 2.092 109 R HA 0.113 4.450 4.340 -0.004 0.000 0.231 109 R C 2.339 178.693 176.300 0.089 0.000 1.119 109 R CA 1.633 57.833 56.100 0.167 0.000 0.970 109 R CB -1.343 29.003 30.300 0.077 0.000 0.864 109 R HN 0.252 nan 8.270 nan 0.000 0.440 110 A N 1.426 124.267 122.820 0.034 0.000 2.070 110 A HA -0.119 4.199 4.320 -0.004 0.000 0.220 110 A C 2.550 180.072 177.584 -0.103 0.000 1.159 110 A CA 2.010 54.028 52.037 -0.032 0.000 0.656 110 A CB -0.595 18.384 19.000 -0.035 0.000 0.800 110 A HN 0.837 nan 8.150 nan 0.000 0.453 111 S N -1.470 114.169 115.700 -0.100 0.000 2.423 111 S HA 0.217 4.684 4.470 -0.004 0.000 0.231 111 S C 1.714 175.984 174.600 -0.550 0.000 1.014 111 S CA 1.424 59.430 58.200 -0.324 0.000 0.965 111 S CB -0.701 62.395 63.200 -0.174 0.000 0.785 111 S HN 1.952 nan 8.310 nan 0.000 0.495 112 G N -0.114 108.493 108.800 -0.322 0.000 2.179 112 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.260 112 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.260 112 G C 0.391 175.014 174.900 -0.462 0.000 0.977 112 G CA 0.485 45.382 45.100 -0.338 0.000 0.641 112 G HN 0.586 nan 8.290 nan 0.000 0.533 113 Y N -0.464 119.529 120.300 -0.513 0.000 2.509 113 Y HA 0.321 4.868 4.550 -0.004 0.000 0.293 113 Y C 1.891 177.133 175.900 -1.096 0.000 1.133 113 Y CA 0.971 58.535 58.100 -0.892 0.000 1.283 113 Y CB -0.144 37.598 38.460 -1.197 0.000 1.001 113 Y HN 0.378 nan 8.280 nan 0.000 0.555 114 F N -1.590 118.314 119.950 -0.076 0.000 2.735 114 F HA 0.219 4.744 4.527 -0.004 0.000 0.304 114 F C 1.678 177.393 175.800 -0.142 0.000 1.119 114 F CA -0.094 57.833 58.000 -0.123 0.000 1.280 114 F CB -0.723 38.317 39.000 0.066 0.000 0.994 114 F HN -0.107 nan 8.300 nan 0.000 0.520 115 T N -1.678 112.819 114.554 -0.095 0.000 3.085 115 T HA 0.092 4.439 4.350 -0.004 0.000 0.263 115 T C 0.901 175.536 174.700 -0.108 0.000 1.127 115 T CA 0.172 62.225 62.100 -0.079 0.000 1.103 115 T CB 0.036 68.841 68.868 -0.106 0.000 0.921 115 T HN 0.253 nan 8.240 nan 0.000 0.510 116 R N -0.016 120.372 120.500 -0.187 0.000 2.766 116 R HA 0.573 4.911 4.340 -0.004 0.000 0.270 116 R C -3.579 172.567 176.300 -0.257 0.000 1.035 116 R CA -1.961 54.032 56.100 -0.179 0.000 0.911 116 R CB -0.736 29.457 30.300 -0.178 0.000 1.243 116 R HN -0.059 nan 8.270 nan 0.000 0.460 117 P HA 0.117 nan 4.420 nan 0.000 0.268 117 P C -0.892 176.199 177.300 -0.348 0.000 1.208 117 P CA -0.003 62.992 63.100 -0.174 0.000 0.777 117 P CB 0.264 31.918 31.700 -0.077 0.000 0.875 118 W N 1.325 122.355 121.300 -0.451 0.000 2.287 118 W HA 0.222 4.880 4.660 -0.003 0.000 0.313 118 W C 0.615 176.641 176.519 -0.822 0.000 1.267 118 W CA -0.061 56.778 57.345 -0.844 0.000 1.201 118 W CB 0.482 28.868 29.460 -1.790 0.000 1.196 118 W HN 0.281 nan 8.180 nan 0.000 0.536 119 Q N 3.611 123.241 119.800 -0.283 0.000 3.006 119 Q HA 0.022 4.360 4.340 -0.004 0.000 0.260 119 Q C 0.469 176.463 176.000 -0.011 0.000 1.356 119 Q CA -0.238 55.486 55.803 -0.133 0.000 1.070 119 Q CB -0.084 28.612 28.738 -0.070 0.000 1.507 119 Q HN 0.722 nan 8.270 nan 0.000 0.568 120 W N 0.911 122.296 121.300 0.142 0.000 2.318 120 W HA -0.224 4.434 4.660 -0.003 0.000 0.313 120 W C 1.842 178.386 176.519 0.042 0.000 1.221 120 W CA 0.356 57.749 57.345 0.080 0.000 1.266 120 W CB 0.103 29.591 29.460 0.047 0.000 1.150 120 W HN 0.439 nan 8.180 nan 0.000 0.496 121 E N 0.823 121.178 120.200 0.257 0.000 2.110 121 E HA -0.162 4.186 4.350 -0.004 0.000 0.193 121 E C 1.785 178.440 176.600 0.092 0.000 0.988 121 E CA 1.321 57.806 56.400 0.142 0.000 0.804 121 E CB -0.565 29.196 29.700 0.102 0.000 0.745 121 E HN 0.421 nan 8.360 nan 0.000 0.458 122 K N 0.326 120.772 120.400 0.077 0.000 2.097 122 K HA -0.010 4.308 4.320 -0.004 0.000 0.205 122 K C 2.334 178.968 176.600 0.056 0.000 1.050 122 K CA 0.705 57.018 56.287 0.042 0.000 0.938 122 K CB -0.122 32.387 32.500 0.015 0.000 0.718 122 K HN 0.101 nan 8.250 nan 0.000 0.442 123 I N 1.450 122.080 120.570 0.101 0.000 2.179 123 I HA -0.311 3.857 4.170 -0.004 0.000 0.242 123 I C 2.126 178.293 176.117 0.083 0.000 1.088 123 I CA 1.448 62.818 61.300 0.118 0.000 1.357 123 I CB -0.207 37.910 38.000 0.194 0.000 1.051 123 I HN 0.115 nan 8.210 nan 0.000 0.409 124 K N 0.814 121.264 120.400 0.083 0.000 2.097 124 K HA -0.112 4.206 4.320 -0.004 0.000 0.206 124 K C 2.196 178.789 176.600 -0.011 0.000 1.049 124 K CA 1.429 57.734 56.287 0.029 0.000 0.933 124 K CB -0.218 32.301 32.500 0.032 0.000 0.717 124 K HN 0.321 nan 8.250 nan 0.000 0.442 125 A N 1.593 124.415 122.820 0.004 0.000 2.014 125 A HA -0.091 4.226 4.320 -0.004 0.000 0.218 125 A C 1.566 179.134 177.584 -0.026 0.000 1.163 125 A CA 1.195 53.222 52.037 -0.018 0.000 0.652 125 A CB -0.137 18.860 19.000 -0.005 0.000 0.808 125 A HN 0.205 nan 8.150 nan 0.000 0.449 126 N N -1.610 117.087 118.700 -0.006 0.000 2.353 126 N HA 0.052 4.789 4.740 -0.004 0.000 0.185 126 N C -0.342 175.168 175.510 0.000 0.000 1.098 126 N CA 0.487 53.538 53.050 0.003 0.000 0.872 126 N CB 0.296 38.798 38.487 0.024 0.000 0.970 126 N HN 0.368 nan 8.380 nan 0.000 0.467 127 C N 1.384 120.668 119.300 -0.027 0.000 2.789 127 C HA 0.377 4.835 4.460 -0.004 0.000 0.324 127 C C -1.680 173.214 174.990 -0.159 0.000 1.042 127 C CA -1.494 57.491 59.018 -0.056 0.000 1.396 127 C CB 0.719 28.475 27.740 0.026 0.000 1.870 127 C HN 0.097 nan 8.230 nan 0.000 0.470 128 P HA -0.064 nan 4.420 nan 0.000 0.216 128 P C -0.654 176.265 177.300 -0.634 0.000 1.150 128 P CA 1.467 64.211 63.100 -0.594 0.000 0.837 128 P CB 0.029 31.151 31.700 -0.963 0.000 0.786 129 Y N -0.501 119.715 120.300 -0.140 0.000 2.345 129 Y HA 0.450 4.997 4.550 -0.004 0.000 0.331 129 Y C 0.306 176.177 175.900 -0.049 0.000 0.959 129 Y CA -1.123 56.917 58.100 -0.099 0.000 1.204 129 Y CB 0.665 39.047 38.460 -0.131 0.000 1.135 129 Y HN -0.219 nan 8.280 nan 0.000 0.477 130 I N 4.614 125.241 120.570 0.095 0.000 2.439 130 I HA 0.473 4.641 4.170 -0.004 0.000 0.285 130 I C -0.902 175.230 176.117 0.025 0.000 1.021 130 I CA -0.921 60.410 61.300 0.052 0.000 1.091 130 I CB 1.444 39.457 38.000 0.022 0.000 1.242 130 I HN 0.230 nan 8.210 nan 0.000 0.439 131 V N 5.768 125.686 119.914 0.007 0.000 2.667 131 V HA 0.489 4.606 4.120 -0.004 0.000 0.308 131 V C -0.331 175.705 176.094 -0.097 0.000 1.048 131 V CA -0.568 61.695 62.300 -0.061 0.000 0.928 131 V CB 1.965 33.723 31.823 -0.108 0.000 1.004 131 V HN 0.757 nan 8.190 nan 0.000 0.444 132 Q N 2.140 121.838 119.800 -0.171 0.000 2.331 132 Q HA 0.600 4.938 4.340 -0.004 0.000 0.272 132 Q C -2.243 173.577 176.000 -0.300 0.000 1.062 132 Q CA -0.539 55.180 55.803 -0.140 0.000 0.806 132 Q CB 2.203 30.898 28.738 -0.071 0.000 1.312 132 Q HN 0.620 nan 8.270 nan 0.000 0.431 133 F N 0.961 120.842 119.950 -0.115 0.000 2.482 133 F HA 0.788 5.313 4.527 -0.004 0.000 0.331 133 F C 0.564 176.369 175.800 0.008 0.000 1.115 133 F CA -0.262 57.624 58.000 -0.190 0.000 0.955 133 F CB 2.512 41.222 39.000 -0.483 0.000 1.136 133 F HN 0.593 nan 8.300 nan 0.000 0.452 134 G N 0.828 109.887 108.800 0.431 0.000 2.733 134 G HA2 0.502 4.460 3.960 -0.004 0.000 0.297 134 G HA3 0.502 4.460 3.960 -0.004 0.000 0.297 134 G C -1.919 173.443 174.900 0.771 0.000 1.422 134 G CA -0.746 44.771 45.100 0.695 0.000 0.942 134 G HN 0.567 nan 8.290 nan 0.000 0.510 135 S N -0.718 115.412 115.700 0.716 0.000 2.521 135 S HA 0.549 5.017 4.470 -0.004 0.000 0.295 135 S C 1.458 176.181 174.600 0.206 0.000 1.098 135 S CA 0.207 58.605 58.200 0.331 0.000 0.999 135 S CB 1.427 64.676 63.200 0.083 0.000 1.034 135 S HN 1.160 nan 8.310 nan 0.000 0.483 136 T N 0.132 114.584 114.554 -0.170 0.000 3.051 136 T HA -0.078 4.269 4.350 -0.004 0.000 0.269 136 T C 0.765 175.433 174.700 -0.054 0.000 1.127 136 T CA 1.222 63.153 62.100 -0.282 0.000 1.107 136 T CB -0.374 68.157 68.868 -0.561 0.000 0.898 136 T HN 0.691 nan 8.240 nan 0.000 0.517 137 D N 0.412 120.793 120.400 -0.031 0.000 2.388 137 D HA 0.050 4.688 4.640 -0.004 0.000 0.221 137 D C -0.055 176.228 176.300 -0.029 0.000 1.133 137 D CA -0.528 53.447 54.000 -0.041 0.000 0.831 137 D CB -0.520 40.236 40.800 -0.074 0.000 0.962 137 D HN 0.271 nan 8.370 nan 0.000 0.502 138 D N 2.513 122.951 120.400 0.063 0.000 2.434 138 D HA -0.029 4.609 4.640 -0.004 0.000 0.252 138 D C -1.127 175.120 176.300 -0.087 0.000 1.185 138 D CA -1.064 52.981 54.000 0.075 0.000 0.886 138 D CB 1.725 42.698 40.800 0.288 0.000 1.148 138 D HN 0.064 nan 8.370 nan 0.000 0.483 139 P HA -0.037 nan 4.420 nan 0.000 0.236 139 P C 0.690 177.667 177.300 -0.538 0.000 1.177 139 P CA 0.504 63.290 63.100 -0.523 0.000 0.773 139 P CB 0.081 31.325 31.700 -0.759 0.000 0.878 140 F N -0.744 119.143 119.950 -0.104 0.000 2.717 140 F HA 0.302 4.827 4.527 -0.004 0.000 0.297 140 F C 1.264 176.967 175.800 -0.161 0.000 1.113 140 F CA -0.133 57.755 58.000 -0.186 0.000 1.319 140 F CB -0.135 38.631 39.000 -0.389 0.000 1.097 140 F HN -0.286 nan 8.300 nan 0.000 0.595 141 L N 1.320 122.587 121.223 0.074 0.000 2.346 141 L HA 0.519 4.857 4.340 -0.004 0.000 0.274 141 L C -2.562 174.370 176.870 0.102 0.000 1.007 141 L CA -2.099 52.774 54.840 0.055 0.000 0.818 141 L CB 1.634 43.773 42.059 0.133 0.000 1.284 141 L HN -0.318 nan 8.230 nan 0.000 0.424 142 P HA -0.028 nan 4.420 nan 0.000 0.276 142 P C 0.168 177.553 177.300 0.142 0.000 1.243 142 P CA -0.287 62.875 63.100 0.103 0.000 0.768 142 P CB 0.646 32.382 31.700 0.059 0.000 0.856 143 W N 5.234 126.567 121.300 0.055 0.000 2.350 143 W HA -0.202 4.456 4.660 -0.003 0.000 0.289 143 W C 1.480 178.034 176.519 0.059 0.000 1.215 143 W CA 1.339 58.724 57.345 0.065 0.000 1.236 143 W CB -0.033 29.457 29.460 0.050 0.000 1.130 143 W HN 0.413 nan 8.180 nan 0.000 0.541 144 K N 0.763 121.142 120.400 -0.035 0.000 2.113 144 K HA -0.246 4.071 4.320 -0.004 0.000 0.208 144 K C 1.813 178.297 176.600 -0.194 0.000 1.047 144 K CA 2.122 58.345 56.287 -0.106 0.000 0.928 144 K CB -0.320 32.186 32.500 0.010 0.000 0.716 144 K HN 0.215 nan 8.250 nan 0.000 0.446 145 E N -0.047 120.075 120.200 -0.131 0.000 2.158 145 E HA -0.150 4.198 4.350 -0.004 0.000 0.191 145 E C 2.173 178.659 176.600 -0.190 0.000 0.982 145 E CA 0.729 57.081 56.400 -0.080 0.000 0.823 145 E CB 0.123 29.863 29.700 0.067 0.000 0.766 145 E HN 0.441 nan 8.360 nan 0.000 0.468 146 Q N 0.458 120.037 119.800 -0.368 0.000 2.079 146 Q HA -0.203 4.135 4.340 -0.004 0.000 0.200 146 Q C 2.152 177.763 176.000 -0.648 0.000 0.974 146 Q CA 1.115 56.617 55.803 -0.503 0.000 0.840 146 Q CB -0.071 28.213 28.738 -0.757 0.000 0.898 146 Q HN 0.076 nan 8.270 nan 0.000 0.430 147 Q N 0.886 120.163 119.800 -0.872 0.000 2.167 147 Q HA -0.155 4.183 4.340 -0.004 0.000 0.202 147 Q C 1.765 177.561 176.000 -0.341 0.000 0.970 147 Q CA 1.159 56.631 55.803 -0.552 0.000 0.855 147 Q CB 0.051 28.523 28.738 -0.442 0.000 0.911 147 Q HN 0.207 nan 8.270 nan 0.000 0.438 148 E N -0.705 119.305 120.200 -0.317 0.000 2.077 148 E HA -0.120 4.228 4.350 -0.004 0.000 0.193 148 E C 1.883 178.224 176.600 -0.432 0.000 0.989 148 E CA 1.274 57.503 56.400 -0.285 0.000 0.800 148 E CB -0.025 29.570 29.700 -0.176 0.000 0.746 148 E HN 0.276 nan 8.360 nan 0.000 0.452 149 V N 1.321 120.996 119.914 -0.400 0.000 2.343 149 V HA -0.266 3.852 4.120 -0.004 0.000 0.247 149 V C 2.517 178.363 176.094 -0.414 0.000 1.051 149 V CA 1.776 63.793 62.300 -0.472 0.000 1.036 149 V CB -0.860 30.796 31.823 -0.279 0.000 0.654 149 V HN 0.281 nan 8.190 nan 0.000 0.451 150 A N -0.009 122.627 122.820 -0.307 0.000 1.908 150 A HA -0.256 4.062 4.320 -0.004 0.000 0.218 150 A C 1.983 179.423 177.584 -0.239 0.000 1.181 150 A CA 2.151 54.053 52.037 -0.226 0.000 0.627 150 A CB -0.597 18.303 19.000 -0.167 0.000 0.818 150 A HN 0.556 nan 8.150 nan 0.000 0.445 151 D N -0.596 119.638 120.400 -0.276 0.000 2.097 151 D HA -0.087 4.550 4.640 -0.004 0.000 0.197 151 D C 2.162 178.258 176.300 -0.339 0.000 0.984 151 D CA 0.907 54.755 54.000 -0.253 0.000 0.826 151 D CB -0.330 40.338 40.800 -0.221 0.000 0.973 151 D HN 0.220 nan 8.370 nan 0.000 0.460 152 R N 0.186 120.339 120.500 -0.578 0.000 2.148 152 R HA 0.061 4.399 4.340 -0.004 0.000 0.227 152 R C 2.026 177.992 176.300 -0.557 0.000 1.103 152 R CA 0.361 55.965 56.100 -0.827 0.000 0.983 152 R CB -0.372 28.750 30.300 -1.963 0.000 0.874 152 R HN 0.300 nan 8.270 nan 0.000 0.451 153 L N 0.436 121.397 121.223 -0.436 0.000 2.640 153 L HA 0.148 4.486 4.340 -0.004 0.000 0.230 153 L C -0.197 176.599 176.870 -0.123 0.000 1.123 153 L CA -0.045 54.687 54.840 -0.180 0.000 0.900 153 L CB -0.007 41.982 42.059 -0.116 0.000 1.146 153 L HN 0.117 nan 8.230 nan 0.000 0.484 154 E N 1.099 121.208 120.200 -0.152 0.000 2.269 154 E HA -0.207 4.141 4.350 -0.004 0.000 0.223 154 E C 0.428 176.982 176.600 -0.076 0.000 1.244 154 E CA 0.546 56.885 56.400 -0.102 0.000 0.713 154 E CB -1.395 28.261 29.700 -0.073 0.000 1.178 154 E HN 0.586 nan 8.360 nan 0.000 0.370 155 T N -1.837 112.663 114.554 -0.091 0.000 2.860 155 T HA 0.244 4.592 4.350 -0.004 0.000 0.299 155 T C 0.373 175.039 174.700 -0.057 0.000 1.045 155 T CA -0.638 61.423 62.100 -0.065 0.000 1.071 155 T CB 1.151 69.971 68.868 -0.080 0.000 0.985 155 T HN 0.124 nan 8.240 nan 0.000 0.537 156 K N 1.886 122.263 120.400 -0.040 0.000 2.219 156 K HA 0.322 4.640 4.320 -0.004 0.000 0.280 156 K C -0.549 176.019 176.600 -0.052 0.000 1.104 156 K CA -0.660 55.601 56.287 -0.044 0.000 0.925 156 K CB 0.312 32.811 32.500 -0.002 0.000 1.261 156 K HN 0.413 nan 8.250 nan 0.000 0.445 157 L N 3.359 124.526 121.223 -0.094 0.000 2.331 157 L HA 0.147 4.485 4.340 -0.004 0.000 0.278 157 L C -0.756 175.989 176.870 -0.209 0.000 1.106 157 L CA -0.048 54.736 54.840 -0.094 0.000 0.824 157 L CB 0.181 42.216 42.059 -0.041 0.000 1.142 157 L HN 0.466 nan 8.230 nan 0.000 0.443 158 H N 4.157 122.988 119.070 -0.397 0.000 2.691 158 H HA 0.354 4.908 4.556 -0.004 0.000 0.281 158 H C -0.639 174.427 175.328 -0.436 0.000 1.121 158 H CA -0.348 55.396 56.048 -0.506 0.000 1.254 158 H CB 0.570 29.741 29.762 -0.984 0.000 1.390 158 H HN 0.466 nan 8.280 nan 0.000 0.491 159 K N 4.571 124.897 120.400 -0.123 0.000 2.262 159 K HA 0.318 4.635 4.320 -0.004 0.000 0.282 159 K C -1.008 175.673 176.600 0.134 0.000 1.066 159 K CA -0.192 56.116 56.287 0.035 0.000 0.901 159 K CB 0.449 33.006 32.500 0.096 0.000 1.089 159 K HN 0.380 nan 8.250 nan 0.000 0.476 160 F N 0.659 120.720 119.950 0.185 0.000 2.572 160 F HA 0.243 4.768 4.527 -0.004 0.000 0.342 160 F C 1.674 177.441 175.800 -0.055 0.000 1.064 160 F CA -0.999 57.057 58.000 0.093 0.000 1.008 160 F CB 2.131 41.230 39.000 0.165 0.000 1.303 160 F HN 0.616 nan 8.300 nan 0.000 0.492 161 T N -4.397 110.231 114.554 0.122 0.000 2.975 161 T HA 0.071 4.419 4.350 -0.004 0.000 0.261 161 T C -0.049 174.615 174.700 -0.060 0.000 0.984 161 T CA 0.087 62.169 62.100 -0.031 0.000 0.911 161 T CB -0.044 68.789 68.868 -0.059 0.000 1.127 161 T HN 0.589 nan 8.240 nan 0.000 0.514 162 D N -0.551 119.806 120.400 -0.072 0.000 2.636 162 D HA 0.254 4.892 4.640 -0.004 0.000 0.270 162 D C 0.733 176.920 176.300 -0.188 0.000 1.430 162 D CA -0.473 53.454 54.000 -0.123 0.000 0.796 162 D CB -0.825 39.900 40.800 -0.125 0.000 1.117 162 D HN 0.352 nan 8.370 nan 0.000 0.480 163 C N 0.316 119.467 119.300 -0.248 0.000 2.906 163 C HA 0.669 5.127 4.460 -0.004 0.000 0.274 163 C C 1.840 176.532 174.990 -0.498 0.000 1.257 163 C CA 0.362 59.087 59.018 -0.489 0.000 1.695 163 C CB -0.954 26.269 27.740 -0.862 0.000 1.958 163 C HN 0.691 nan 8.230 nan 0.000 0.619 164 G N 1.119 109.765 108.800 -0.256 0.000 2.634 164 G HA2 -0.373 3.585 3.960 -0.004 0.000 0.309 164 G HA3 -0.373 3.585 3.960 -0.004 0.000 0.309 164 G C 0.330 175.244 174.900 0.024 0.000 1.265 164 G CA 1.012 46.045 45.100 -0.110 0.000 0.998 164 G HN 0.545 nan 8.290 nan 0.000 0.551 165 H N 0.433 119.550 119.070 0.079 0.000 2.537 165 H HA 0.466 5.020 4.556 -0.004 0.000 0.295 165 H C 0.695 176.386 175.328 0.605 0.000 1.054 165 H CA -0.127 56.154 56.048 0.388 0.000 1.156 165 H CB -0.907 29.157 29.762 0.502 0.000 1.468 165 H HN 0.683 nan 8.280 nan 0.000 0.551 166 F N 0.055 120.151 119.950 0.243 0.000 2.797 166 F HA -0.276 4.249 4.527 -0.004 0.000 0.273 166 F C 0.541 176.472 175.800 0.218 0.000 1.020 166 F CA 0.722 58.783 58.000 0.100 0.000 0.961 166 F CB -1.434 37.579 39.000 0.022 0.000 1.020 166 F HN 0.488 nan 8.300 nan 0.000 0.840 167 Q N -1.146 118.802 119.800 0.246 0.000 2.157 167 Q HA 0.193 4.530 4.340 -0.004 0.000 0.229 167 Q C 0.805 176.843 176.000 0.064 0.000 0.827 167 Q CA -0.355 55.549 55.803 0.168 0.000 1.055 167 Q CB 0.517 29.382 28.738 0.212 0.000 1.157 167 Q HN 0.421 nan 8.270 nan 0.000 0.482 168 N N 0.633 119.370 118.700 0.061 0.000 2.366 168 N HA 0.047 4.785 4.740 -0.004 0.000 0.277 168 N C 1.225 176.747 175.510 0.019 0.000 1.275 168 N CA 0.683 53.725 53.050 -0.013 0.000 0.964 168 N CB 0.905 39.329 38.487 -0.104 0.000 1.167 168 N HN 0.128 nan 8.380 nan 0.000 0.568 169 T N -3.128 111.399 114.554 -0.044 0.000 3.044 169 T HA 0.205 4.552 4.350 -0.004 0.000 0.250 169 T C 0.287 174.932 174.700 -0.091 0.000 1.081 169 T CA 0.401 62.484 62.100 -0.028 0.000 1.040 169 T CB 0.252 69.097 68.868 -0.037 0.000 0.962 169 T HN 0.438 nan 8.240 nan 0.000 0.506 170 E N -0.115 119.904 120.200 -0.302 0.000 2.336 170 E HA 0.592 4.940 4.350 -0.004 0.000 0.267 170 E C -1.863 174.486 176.600 -0.418 0.000 0.906 170 E CA -1.017 54.902 56.400 -0.803 0.000 0.781 170 E CB 2.492 31.396 29.700 -1.326 0.000 1.261 170 E HN 0.282 nan 8.360 nan 0.000 0.436 171 F N 2.050 121.645 119.950 -0.590 0.000 2.883 171 F HA 0.094 4.618 4.527 -0.004 0.000 0.383 171 F C 0.667 176.447 175.800 -0.034 0.000 1.342 171 F CA -0.281 57.524 58.000 -0.325 0.000 1.150 171 F CB 0.397 39.037 39.000 -0.600 0.000 2.189 171 F HN 0.706 nan 8.300 nan 0.000 0.593 172 H N 1.062 120.243 119.070 0.185 0.000 2.352 172 H HA -0.186 4.368 4.556 -0.004 0.000 0.299 172 H C 1.515 176.918 175.328 0.126 0.000 1.097 172 H CA 2.901 59.112 56.048 0.272 0.000 1.311 172 H CB 0.413 30.298 29.762 0.206 0.000 1.377 172 H HN 0.580 nan 8.280 nan 0.000 0.504 173 E N -0.251 119.967 120.200 0.031 0.000 2.160 173 E HA -0.143 4.205 4.350 -0.004 0.000 0.195 173 E C 2.123 178.545 176.600 -0.297 0.000 0.991 173 E CA 1.087 57.484 56.400 -0.006 0.000 0.810 173 E CB -0.242 29.729 29.700 0.451 0.000 0.742 173 E HN 0.404 nan 8.360 nan 0.000 0.466 174 L N 0.499 121.172 121.223 -0.916 0.000 2.056 174 L HA -0.131 4.206 4.340 -0.004 0.000 0.207 174 L C 1.768 178.342 176.870 -0.494 0.000 1.078 174 L CA 1.467 55.637 54.840 -1.117 0.000 0.749 174 L CB -0.225 40.625 42.059 -2.014 0.000 0.901 174 L HN 0.113 nan 8.230 nan 0.000 0.433 175 I N -0.482 119.871 120.570 -0.362 0.000 2.226 175 I HA -0.253 3.915 4.170 -0.004 0.000 0.245 175 I C 2.332 178.311 176.117 -0.231 0.000 1.100 175 I CA 1.620 62.785 61.300 -0.226 0.000 1.374 175 I CB -1.974 35.946 38.000 -0.134 0.000 1.057 175 I HN 0.284 nan 8.210 nan 0.000 0.413 176 T N 1.115 115.492 114.554 -0.295 0.000 2.746 176 T HA -0.101 4.246 4.350 -0.004 0.000 0.267 176 T C 2.231 176.857 174.700 -0.123 0.000 1.039 176 T CA 1.125 63.107 62.100 -0.196 0.000 1.142 176 T CB -0.381 68.381 68.868 -0.177 0.000 0.866 176 T HN 0.104 nan 8.240 nan 0.000 0.444 177 V N 1.175 121.015 119.914 -0.123 0.000 2.295 177 V HA -0.153 3.964 4.120 -0.004 0.000 0.246 177 V C 2.670 178.701 176.094 -0.105 0.000 1.049 177 V CA 1.385 63.625 62.300 -0.100 0.000 1.024 177 V CB -0.625 31.131 31.823 -0.113 0.000 0.648 177 V HN 0.318 nan 8.190 nan 0.000 0.447 178 V N -0.303 119.535 119.914 -0.126 0.000 2.343 178 V HA -0.289 3.829 4.120 -0.004 0.000 0.247 178 V C 2.384 178.369 176.094 -0.182 0.000 1.051 178 V CA 2.076 64.303 62.300 -0.120 0.000 1.036 178 V CB -0.745 31.015 31.823 -0.105 0.000 0.654 178 V HN 0.535 nan 8.190 nan 0.000 0.451 179 K N -0.029 120.259 120.400 -0.187 0.000 2.147 179 K HA -0.112 4.206 4.320 -0.004 0.000 0.205 179 K C 2.384 178.892 176.600 -0.153 0.000 1.049 179 K CA 1.545 57.714 56.287 -0.197 0.000 0.936 179 K CB -0.241 32.166 32.500 -0.154 0.000 0.722 179 K HN 0.387 nan 8.250 nan 0.000 0.446 180 S N 1.334 116.963 115.700 -0.119 0.000 2.383 180 S HA -0.025 4.443 4.470 -0.004 0.000 0.227 180 S C 1.831 176.357 174.600 -0.123 0.000 1.026 180 S CA 0.862 59.002 58.200 -0.100 0.000 0.981 180 S CB -0.093 63.064 63.200 -0.072 0.000 0.818 180 S HN 0.196 nan 8.310 nan 0.000 0.472 181 L N 0.766 121.916 121.223 -0.122 0.000 2.217 181 L HA 0.076 4.413 4.340 -0.004 0.000 0.211 181 L C 1.164 177.983 176.870 -0.085 0.000 1.107 181 L CA 0.358 55.133 54.840 -0.108 0.000 0.783 181 L CB -0.370 41.684 42.059 -0.009 0.000 0.919 181 L HN 0.235 nan 8.230 nan 0.000 0.442 182 L N 0.000 121.129 121.223 -0.156 0.000 2.949 182 L HA 0.000 4.338 4.340 -0.004 0.000 0.249 182 L CA 0.000 54.714 54.840 -0.210 0.000 0.813 182 L CB 0.000 41.863 42.059 -0.327 0.000 0.961 182 L HN 0.000 nan 8.230 nan 0.000 0.502