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 3mk9_1_A DATA FIRST_RESID 6 DATA SEQUENCE YPIINFTTAG ATVQSYTNFI RAVRGRLTXX XXXXXXXXVL PNRcGLPINQ DATA SEQUENCE RFILVELSNH AELSVTLALD VTNAYVVGYR AGNSAYFFHP DNQcDAEAIT DATA SEQUENCE HLFTDVQNRY TFAFGGNYDR LEQLAGNLRE NIELGNGPLE EAISALYYYS DATA SEQUENCE TGGTQLPTLA RSFIICIQMI SEAARFQYIE GEM 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.946 175.900 0.077 0.000 1.272 6 Y CA 0.000 58.145 58.100 0.074 0.000 1.940 6 Y CB 0.000 38.520 38.460 0.099 0.000 1.050 7 P HA 0.296 nan 4.420 nan 0.000 0.268 7 P C -0.741 176.666 177.300 0.178 0.000 1.204 7 P CA 0.378 63.575 63.100 0.162 0.000 0.768 7 P CB 1.042 32.821 31.700 0.131 0.000 0.842 8 I N 3.459 124.122 120.570 0.154 0.000 2.404 8 I HA 0.392 4.567 4.170 0.008 0.000 0.293 8 I C 0.385 176.596 176.117 0.156 0.000 0.992 8 I CA -0.905 60.492 61.300 0.162 0.000 1.149 8 I CB 1.471 39.561 38.000 0.149 0.000 1.315 8 I HN 0.169 nan 8.210 nan 0.000 0.446 9 I N 6.158 126.842 120.570 0.190 0.000 2.406 9 I HA 0.342 4.517 4.170 0.008 0.000 0.290 9 I C -0.445 175.808 176.117 0.226 0.000 0.999 9 I CA -0.659 60.776 61.300 0.225 0.000 1.124 9 I CB 1.457 39.631 38.000 0.290 0.000 1.289 9 I HN 0.541 nan 8.210 nan 0.000 0.441 10 N N 5.946 124.744 118.700 0.164 0.000 2.466 10 N HA 0.596 5.341 4.740 0.008 0.000 0.294 10 N C -1.282 174.226 175.510 -0.003 0.000 1.129 10 N CA -0.350 52.744 53.050 0.074 0.000 0.931 10 N CB 2.799 41.312 38.487 0.043 0.000 1.193 10 N HN 0.401 nan 8.380 nan 0.000 0.500 11 F N 0.057 119.810 119.950 -0.329 0.000 2.654 11 F HA 0.272 4.803 4.527 0.008 0.000 0.314 11 F C -0.995 174.626 175.800 -0.298 0.000 1.116 11 F CA -0.464 57.238 58.000 -0.497 0.000 1.017 11 F CB 1.691 39.900 39.000 -1.318 0.000 1.285 11 F HN 0.282 nan 8.300 nan 0.000 0.448 12 T N 2.210 116.053 114.554 -1.185 0.000 2.893 12 T HA 0.416 4.771 4.350 0.008 0.000 0.291 12 T C 0.743 174.773 174.700 -1.117 0.000 1.028 12 T CA 0.234 61.813 62.100 -0.868 0.000 0.995 12 T CB 1.487 70.064 68.868 -0.485 0.000 1.051 12 T HN 0.804 nan 8.240 nan 0.000 0.470 13 T N 1.095 115.279 114.554 -0.618 0.000 3.088 13 T HA 0.328 4.683 4.350 0.008 0.000 0.259 13 T C 0.994 175.482 174.700 -0.353 0.000 1.122 13 T CA 0.255 62.138 62.100 -0.362 0.000 1.095 13 T CB -0.138 68.662 68.868 -0.114 0.000 0.930 13 T HN 0.745 nan 8.240 nan 0.000 0.508 14 A N 1.213 123.720 122.820 -0.521 0.000 2.444 14 A HA 0.563 4.888 4.320 0.008 0.000 0.287 14 A C 1.558 178.917 177.584 -0.376 0.000 1.195 14 A CA 0.019 51.602 52.037 -0.756 0.000 0.858 14 A CB -1.294 17.259 19.000 -0.746 0.000 1.117 14 A HN 1.350 nan 8.150 nan 0.000 0.521 15 G N 1.396 110.082 108.800 -0.190 0.000 2.176 15 G HA2 0.142 4.107 3.960 0.008 0.000 0.252 15 G HA3 0.142 4.107 3.960 0.008 0.000 0.252 15 G C 0.493 175.365 174.900 -0.047 0.000 1.024 15 G CA 0.346 45.410 45.100 -0.061 0.000 0.755 15 G HN 2.090 nan 8.290 nan 0.000 0.507 16 A N 0.058 122.848 122.820 -0.051 0.000 2.462 16 A HA 0.760 5.085 4.320 0.008 0.000 0.243 16 A C 0.915 178.559 177.584 0.100 0.000 1.076 16 A CA 1.260 53.315 52.037 0.030 0.000 0.773 16 A CB 0.403 19.447 19.000 0.073 0.000 1.010 16 A HN 1.909 nan 8.150 nan 0.000 0.493 17 T N -1.387 113.260 114.554 0.155 0.000 2.907 17 T HA 0.461 4.816 4.350 0.008 0.000 0.290 17 T C 0.854 175.675 174.700 0.201 0.000 1.066 17 T CA -0.124 62.060 62.100 0.140 0.000 1.012 17 T CB 0.930 69.863 68.868 0.109 0.000 1.184 17 T HN 0.433 nan 8.240 nan 0.000 0.522 18 V N 0.977 120.988 119.914 0.161 0.000 2.469 18 V HA -0.155 3.970 4.120 0.008 0.000 0.251 18 V C 2.918 179.143 176.094 0.220 0.000 1.064 18 V CA 2.282 64.700 62.300 0.196 0.000 1.066 18 V CB -1.035 30.869 31.823 0.135 0.000 0.667 18 V HN 0.965 nan 8.190 nan 0.000 0.461 19 Q N 1.319 121.218 119.800 0.166 0.000 2.079 19 Q HA -0.163 4.182 4.340 0.008 0.000 0.200 19 Q C 2.415 178.519 176.000 0.174 0.000 0.974 19 Q CA 2.342 58.230 55.803 0.141 0.000 0.840 19 Q CB -0.503 28.298 28.738 0.104 0.000 0.898 19 Q HN 0.762 nan 8.270 nan 0.000 0.430 20 S N -0.938 114.896 115.700 0.223 0.000 2.383 20 S HA -0.176 4.299 4.470 0.008 0.000 0.227 20 S C 1.996 176.842 174.600 0.411 0.000 1.026 20 S CA 0.974 59.347 58.200 0.289 0.000 0.981 20 S CB -0.891 62.477 63.200 0.279 0.000 0.818 20 S HN 0.569 nan 8.310 nan 0.000 0.472 21 Y N 2.856 123.332 120.300 0.293 0.000 2.200 21 Y HA -0.035 4.520 4.550 0.008 0.000 0.290 21 Y C 2.480 178.431 175.900 0.085 0.000 1.137 21 Y CA 1.836 60.018 58.100 0.137 0.000 1.163 21 Y CB -0.985 37.543 38.460 0.114 0.000 0.988 21 Y HN 0.282 nan 8.280 nan 0.000 0.518 22 T N 0.907 115.462 114.554 0.002 0.000 2.777 22 T HA -0.150 4.205 4.350 0.008 0.000 0.266 22 T C 1.601 176.246 174.700 -0.092 0.000 1.040 22 T CA 1.464 63.496 62.100 -0.112 0.000 1.141 22 T CB -0.260 68.626 68.868 0.030 0.000 0.868 22 T HN 0.389 nan 8.240 nan 0.000 0.444 23 N N 0.940 119.654 118.700 0.023 0.000 2.244 23 N HA -0.033 4.712 4.740 0.008 0.000 0.183 23 N C 1.528 177.076 175.510 0.063 0.000 1.016 23 N CA 0.645 53.723 53.050 0.047 0.000 0.866 23 N CB -0.451 38.095 38.487 0.097 0.000 0.980 23 N HN 0.351 nan 8.380 nan 0.000 0.430 24 F N 2.339 122.223 119.950 -0.110 0.000 2.075 24 F HA -0.070 4.462 4.527 0.008 0.000 0.297 24 F C 1.954 177.626 175.800 -0.213 0.000 1.113 24 F CA 0.963 58.876 58.000 -0.145 0.000 1.218 24 F CB -0.420 38.405 39.000 -0.290 0.000 0.984 24 F HN -0.167 nan 8.300 nan 0.000 0.472 25 I N 0.848 121.010 120.570 -0.680 0.000 2.286 25 I HA -0.234 3.941 4.170 0.008 0.000 0.248 25 I C 2.497 178.397 176.117 -0.362 0.000 1.115 25 I CA 1.265 62.144 61.300 -0.702 0.000 1.392 25 I CB -1.414 36.210 38.000 -0.627 0.000 1.065 25 I HN 0.230 nan 8.210 nan 0.000 0.418 26 R N 0.710 121.076 120.500 -0.222 0.000 2.096 26 R HA -0.103 4.242 4.340 0.008 0.000 0.235 26 R C 2.395 178.644 176.300 -0.085 0.000 1.127 26 R CA 1.474 57.504 56.100 -0.117 0.000 0.968 26 R CB -0.339 29.922 30.300 -0.065 0.000 0.861 26 R HN 0.363 nan 8.270 nan 0.000 0.440 27 A N 0.613 123.388 122.820 -0.074 0.000 1.902 27 A HA -0.115 4.210 4.320 0.008 0.000 0.217 27 A C 2.337 179.894 177.584 -0.044 0.000 1.181 27 A CA 1.371 53.398 52.037 -0.017 0.000 0.623 27 A CB -0.484 18.553 19.000 0.061 0.000 0.818 27 A HN 0.113 nan 8.150 nan 0.000 0.443 28 V N 0.349 120.176 119.914 -0.145 0.000 2.307 28 V HA -0.234 3.891 4.120 0.008 0.000 0.245 28 V C 2.691 178.732 176.094 -0.088 0.000 1.045 28 V CA 2.126 64.341 62.300 -0.141 0.000 1.024 28 V CB -0.813 30.831 31.823 -0.298 0.000 0.651 28 V HN 0.668 nan 8.190 nan 0.000 0.449 29 R N 0.706 121.151 120.500 -0.092 0.000 2.105 29 R HA -0.163 4.182 4.340 0.008 0.000 0.239 29 R C 2.164 178.502 176.300 0.063 0.000 1.135 29 R CA 1.905 58.006 56.100 0.002 0.000 0.967 29 R CB -0.766 29.533 30.300 -0.001 0.000 0.861 29 R HN 0.544 nan 8.270 nan 0.000 0.442 30 G N -0.177 108.634 108.800 0.019 0.000 2.559 30 G HA2 -0.187 3.778 3.960 0.008 0.000 0.216 30 G HA3 -0.187 3.778 3.960 0.008 0.000 0.216 30 G C 1.391 176.317 174.900 0.043 0.000 1.126 30 G CA 0.044 45.164 45.100 0.034 0.000 0.778 30 G HN 0.264 nan 8.290 nan 0.000 0.543 31 R N -1.323 119.195 120.500 0.030 0.000 2.362 31 R HA 0.351 4.696 4.340 0.008 0.000 0.227 31 R C -0.048 176.258 176.300 0.010 0.000 0.905 31 R CA -0.401 55.717 56.100 0.029 0.000 1.067 31 R CB 0.035 30.357 30.300 0.037 0.000 1.078 31 R HN 0.155 nan 8.270 nan 0.000 0.516 32 L N -0.487 120.736 121.223 -0.000 0.000 2.439 32 L HA 0.405 4.750 4.340 0.008 0.000 0.261 32 L C 0.411 177.241 176.870 -0.067 0.000 1.153 32 L CA 0.614 55.394 54.840 -0.100 0.000 0.808 32 L CB 1.615 43.519 42.059 -0.259 0.000 1.126 32 L HN 0.015 nan 8.230 nan 0.000 0.460 45 L N 4.644 125.820 121.223 -0.078 0.000 2.376 45 L HA 0.577 4.922 4.340 0.008 0.000 0.258 45 L C -1.708 175.146 176.870 -0.026 0.000 1.013 45 L CA -1.648 53.170 54.840 -0.037 0.000 0.822 45 L CB 2.769 44.804 42.059 -0.041 0.000 1.388 45 L HN 0.374 nan 8.230 nan 0.000 0.413 46 P HA -0.083 nan 4.420 nan 0.000 0.213 46 P C -0.277 177.017 177.300 -0.009 0.000 1.170 46 P CA 1.119 64.216 63.100 -0.005 0.000 0.893 46 P CB 0.077 31.776 31.700 -0.002 0.000 0.784 47 N N -0.820 117.870 118.700 -0.017 0.000 2.593 47 N HA 0.283 5.028 4.740 0.008 0.000 0.304 47 N C 0.513 176.002 175.510 -0.035 0.000 1.296 47 N CA -0.708 52.329 53.050 -0.022 0.000 0.950 47 N CB 0.680 39.154 38.487 -0.023 0.000 1.127 47 N HN -0.049 nan 8.380 nan 0.000 0.587 48 R N -1.873 118.601 120.500 -0.044 0.000 2.504 48 R HA 0.288 4.633 4.340 0.008 0.000 0.341 48 R C 0.113 176.361 176.300 -0.086 0.000 0.905 48 R CA -0.206 55.855 56.100 -0.066 0.000 1.133 48 R CB -0.598 29.667 30.300 -0.059 0.000 1.704 48 R HN 0.445 nan 8.270 nan 0.000 0.503 49 c N 1.084 119.642 118.600 -0.070 0.000 2.696 49 c HA 0.256 4.831 4.570 0.008 0.000 0.264 49 c C 2.058 176.103 174.090 -0.076 0.000 1.288 49 c CA 0.321 56.603 56.329 -0.078 0.000 1.717 49 c CB -0.338 42.137 42.510 -0.059 0.000 1.893 49 c HN 0.683 nan 8.230 nan 0.000 0.577 50 G N 0.349 109.108 108.800 -0.068 0.000 2.990 50 G HA2 0.231 4.196 3.960 0.008 0.000 0.206 50 G HA3 0.231 4.196 3.960 0.008 0.000 0.206 50 G C 0.270 175.129 174.900 -0.068 0.000 1.169 50 G CA 0.458 45.522 45.100 -0.059 0.000 0.819 50 G HN 0.507 nan 8.290 nan 0.000 0.517 51 L N 0.847 122.016 121.223 -0.091 0.000 2.408 51 L HA 0.375 4.720 4.340 0.008 0.000 0.268 51 L C -2.156 174.647 176.870 -0.112 0.000 0.986 51 L CA -2.241 52.540 54.840 -0.097 0.000 0.820 51 L CB 2.918 44.908 42.059 -0.116 0.000 1.303 51 L HN -0.117 nan 8.230 nan 0.000 0.411 52 P HA 0.122 nan 4.420 nan 0.000 0.268 52 P C 1.012 178.242 177.300 -0.117 0.000 1.204 52 P CA -0.115 62.929 63.100 -0.095 0.000 0.768 52 P CB 1.125 32.783 31.700 -0.069 0.000 0.842 53 I N 1.887 122.369 120.570 -0.147 0.000 2.381 53 I HA -0.318 3.857 4.170 0.008 0.000 0.255 53 I C 2.119 178.233 176.117 -0.006 0.000 1.140 53 I CA 1.477 62.683 61.300 -0.157 0.000 1.404 53 I CB -0.735 37.073 38.000 -0.320 0.000 1.075 53 I HN 0.489 nan 8.210 nan 0.000 0.433 54 N N 1.955 120.620 118.700 -0.058 0.000 2.520 54 N HA -0.224 4.521 4.740 0.008 0.000 0.185 54 N C 1.078 176.535 175.510 -0.088 0.000 1.068 54 N CA 0.866 53.838 53.050 -0.130 0.000 0.911 54 N CB -0.207 38.205 38.487 -0.126 0.000 0.961 54 N HN 0.683 nan 8.380 nan 0.000 0.446 55 Q N -1.242 118.565 119.800 0.012 0.000 2.088 55 Q HA 0.317 4.662 4.340 0.008 0.000 0.270 55 Q C 0.726 176.729 176.000 0.004 0.000 0.854 55 Q CA -0.631 55.203 55.803 0.051 0.000 1.104 55 Q CB 0.572 29.306 28.738 -0.006 0.000 1.251 55 Q HN -0.061 nan 8.270 nan 0.000 0.436 56 R N 0.261 120.720 120.500 -0.069 0.000 2.265 56 R HA 0.268 4.614 4.340 0.008 0.000 0.194 56 R C -0.794 175.148 176.300 -0.597 0.000 0.931 56 R CA 0.526 56.370 56.100 -0.427 0.000 1.032 56 R CB 0.415 30.278 30.300 -0.728 0.000 0.980 56 R HN 0.165 nan 8.270 nan 0.000 0.497 57 F N -0.345 119.581 119.950 -0.039 0.000 2.593 57 F HA 0.499 5.030 4.527 0.007 0.000 0.320 57 F C 0.107 175.841 175.800 -0.110 0.000 1.060 57 F CA -1.389 56.466 58.000 -0.242 0.000 0.940 57 F CB 1.515 40.099 39.000 -0.693 0.000 1.268 57 F HN -0.262 nan 8.300 nan 0.000 0.475 58 I N 3.254 123.913 120.570 0.150 0.000 2.498 58 I HA 0.530 4.705 4.170 0.008 0.000 0.290 58 I C -1.811 174.376 176.117 0.117 0.000 1.032 58 I CA -0.673 60.709 61.300 0.136 0.000 1.073 58 I CB 1.468 39.533 38.000 0.108 0.000 1.251 58 I HN 0.436 nan 8.210 nan 0.000 0.426 59 L N 7.581 128.892 121.223 0.147 0.000 2.295 59 L HA 0.550 4.895 4.340 0.008 0.000 0.285 59 L C -0.758 176.239 176.870 0.212 0.000 1.035 59 L CA -0.922 54.022 54.840 0.174 0.000 0.806 59 L CB 1.723 43.900 42.059 0.197 0.000 1.214 59 L HN 0.356 nan 8.230 nan 0.000 0.426 60 V N 2.709 122.767 119.914 0.240 0.000 2.349 60 V HA 0.198 4.323 4.120 0.008 0.000 0.284 60 V C -0.049 176.188 176.094 0.239 0.000 1.014 60 V CA -0.561 61.907 62.300 0.279 0.000 0.826 60 V CB 1.610 33.641 31.823 0.347 0.000 1.009 60 V HN 0.749 nan 8.190 nan 0.000 0.431 61 E N 5.558 125.872 120.200 0.190 0.000 2.130 61 E HA 0.513 4.868 4.350 0.008 0.000 0.284 61 E C -1.159 175.493 176.600 0.086 0.000 1.018 61 E CA -0.421 56.059 56.400 0.135 0.000 0.817 61 E CB 0.810 30.575 29.700 0.107 0.000 1.078 61 E HN 0.619 nan 8.360 nan 0.000 0.396 62 L N 3.854 125.130 121.223 0.087 0.000 2.317 62 L HA 0.497 4.842 4.340 0.008 0.000 0.281 62 L C -0.219 176.646 176.870 -0.007 0.000 1.024 62 L CA -0.685 54.184 54.840 0.049 0.000 0.810 62 L CB 1.721 43.845 42.059 0.109 0.000 1.240 62 L HN 0.586 nan 8.230 nan 0.000 0.427 63 S N 0.602 116.252 115.700 -0.084 0.000 2.564 63 S HA 0.717 5.192 4.470 0.008 0.000 0.274 63 S C -0.956 173.549 174.600 -0.158 0.000 1.124 63 S CA -0.957 57.176 58.200 -0.111 0.000 0.869 63 S CB 2.363 65.490 63.200 -0.123 0.000 1.105 63 S HN 0.691 nan 8.310 nan 0.000 0.472 64 N N -0.296 118.326 118.700 -0.131 0.000 3.184 64 N HA 0.402 5.147 4.740 0.008 0.000 0.353 64 N C 0.485 175.916 175.510 -0.132 0.000 1.441 64 N CA -0.828 52.145 53.050 -0.128 0.000 0.723 64 N CB -0.449 38.014 38.487 -0.041 0.000 1.547 64 N HN 0.619 nan 8.380 nan 0.000 0.624 65 H N -0.902 118.124 119.070 -0.073 0.000 2.456 65 H HA 0.111 4.672 4.556 0.010 0.000 0.296 65 H C 0.975 176.270 175.328 -0.054 0.000 1.079 65 H CA 1.703 57.715 56.048 -0.061 0.000 1.322 65 H CB -0.060 29.676 29.762 -0.043 0.000 1.388 65 H HN 0.704 nan 8.280 nan 0.000 0.538 66 A N 0.535 123.394 122.820 0.064 0.000 2.259 66 A HA 0.008 4.333 4.320 0.008 0.000 0.208 66 A C 0.588 178.145 177.584 -0.046 0.000 1.201 66 A CA 0.251 52.297 52.037 0.015 0.000 0.824 66 A CB 0.182 19.191 19.000 0.016 0.000 0.838 66 A HN 0.337 nan 8.150 nan 0.000 0.485 67 E N -1.745 118.415 120.200 -0.067 0.000 3.286 67 E HA -0.199 4.156 4.350 0.008 0.000 0.292 67 E C -0.307 176.202 176.600 -0.153 0.000 0.928 67 E CA 0.713 57.053 56.400 -0.100 0.000 0.982 67 E CB -2.408 27.246 29.700 -0.078 0.000 1.500 67 E HN 0.668 nan 8.360 nan 0.000 0.441 68 L N 0.502 121.609 121.223 -0.193 0.000 2.395 68 L HA 0.375 4.720 4.340 0.008 0.000 0.269 68 L C 0.799 177.546 176.870 -0.204 0.000 1.133 68 L CA -0.020 54.620 54.840 -0.333 0.000 0.812 68 L CB 1.346 43.150 42.059 -0.424 0.000 1.125 68 L HN 0.023 nan 8.230 nan 0.000 0.452 69 S N 2.069 117.666 115.700 -0.172 0.000 2.547 69 S HA 0.744 5.219 4.470 0.008 0.000 0.281 69 S C -0.961 173.714 174.600 0.126 0.000 1.118 69 S CA -0.642 57.548 58.200 -0.017 0.000 0.947 69 S CB 1.649 64.837 63.200 -0.020 0.000 1.053 69 S HN 0.455 nan 8.310 nan 0.000 0.482 70 V N 1.710 121.701 119.914 0.129 0.000 2.962 70 V HA 0.860 4.985 4.120 0.008 0.000 0.313 70 V C -0.612 175.570 176.094 0.147 0.000 1.099 70 V CA -0.559 61.849 62.300 0.179 0.000 0.971 70 V CB 1.680 33.629 31.823 0.210 0.000 1.028 70 V HN 0.760 nan 8.190 nan 0.000 0.430 71 T N 5.390 120.026 114.554 0.136 0.000 2.791 71 T HA 0.631 4.986 4.350 0.008 0.000 0.288 71 T C -0.275 174.583 174.700 0.264 0.000 0.999 71 T CA -0.276 61.928 62.100 0.174 0.000 0.952 71 T CB 0.823 69.792 68.868 0.167 0.000 0.938 71 T HN 0.670 nan 8.240 nan 0.000 0.444 72 L N 2.383 123.780 121.223 0.290 0.000 2.375 72 L HA 0.718 5.063 4.340 0.008 0.000 0.271 72 L C 0.545 177.603 176.870 0.313 0.000 1.107 72 L CA -1.012 54.020 54.840 0.319 0.000 0.806 72 L CB 0.781 43.001 42.059 0.268 0.000 1.146 72 L HN 0.618 nan 8.230 nan 0.000 0.447 73 A N 3.990 126.977 122.820 0.279 0.000 2.258 73 A HA 0.694 5.019 4.320 0.008 0.000 0.316 73 A C -0.813 176.824 177.584 0.089 0.000 1.279 73 A CA -0.439 51.643 52.037 0.075 0.000 0.876 73 A CB 0.451 19.353 19.000 -0.162 0.000 1.170 73 A HN 0.448 nan 8.150 nan 0.000 0.520 74 L N 2.152 123.449 121.223 0.123 0.000 2.317 74 L HA 0.392 4.737 4.340 0.008 0.000 0.281 74 L C 0.203 177.231 176.870 0.263 0.000 1.024 74 L CA -0.292 54.650 54.840 0.170 0.000 0.810 74 L CB 1.544 43.674 42.059 0.117 0.000 1.240 74 L HN 0.675 nan 8.230 nan 0.000 0.427 75 D N 1.346 121.901 120.400 0.259 0.000 2.317 75 D HA 0.073 4.718 4.640 0.008 0.000 0.252 75 D C 1.145 177.462 176.300 0.028 0.000 1.174 75 D CA -0.186 53.941 54.000 0.212 0.000 0.866 75 D CB 1.701 42.614 40.800 0.188 0.000 1.127 75 D HN 0.387 nan 8.370 nan 0.000 0.467 76 V N 2.243 122.133 119.914 -0.040 0.000 2.867 76 V HA -0.169 3.956 4.120 0.008 0.000 0.260 76 V C 1.884 177.898 176.094 -0.134 0.000 1.099 76 V CA 2.085 64.336 62.300 -0.082 0.000 1.122 76 V CB -1.413 30.367 31.823 -0.073 0.000 0.708 76 V HN 0.684 nan 8.190 nan 0.000 0.490 77 T N -0.915 113.565 114.554 -0.123 0.000 3.067 77 T HA 0.021 4.376 4.350 0.008 0.000 0.261 77 T C 1.241 175.859 174.700 -0.137 0.000 1.110 77 T CA 1.179 63.202 62.100 -0.128 0.000 1.113 77 T CB -0.453 68.357 68.868 -0.097 0.000 0.917 77 T HN 0.744 nan 8.240 nan 0.000 0.499 78 N N -0.011 118.614 118.700 -0.124 0.000 2.011 78 N HA 0.433 5.178 4.740 0.008 0.000 0.228 78 N C 1.058 176.371 175.510 -0.329 0.000 1.378 78 N CA 0.419 53.379 53.050 -0.151 0.000 0.852 78 N CB 0.196 38.707 38.487 0.040 0.000 1.111 78 N HN 0.470 nan 8.380 nan 0.000 0.497 79 A N -1.417 121.259 122.820 -0.239 0.000 3.601 79 A HA -0.245 4.080 4.320 0.008 0.000 0.266 79 A C -0.432 177.021 177.584 -0.219 0.000 1.077 79 A CA 0.869 52.752 52.037 -0.257 0.000 1.228 79 A CB -2.735 16.057 19.000 -0.347 0.000 1.099 79 A HN 0.371 nan 8.150 nan 0.000 0.916 80 Y N -0.433 119.878 120.300 0.019 0.000 2.314 80 Y HA 0.429 4.985 4.550 0.009 0.000 0.334 80 Y C 1.079 177.031 175.900 0.087 0.000 1.266 80 Y CA 0.063 58.178 58.100 0.025 0.000 1.391 80 Y CB 0.560 39.002 38.460 -0.031 0.000 1.306 80 Y HN 0.164 nan 8.280 nan 0.000 0.558 81 V N 3.689 123.796 119.914 0.322 0.000 2.470 81 V HA 0.041 4.166 4.120 0.008 0.000 0.276 81 V C 0.807 177.139 176.094 0.397 0.000 1.040 81 V CA -0.057 62.434 62.300 0.320 0.000 1.008 81 V CB 0.615 32.651 31.823 0.356 0.000 0.990 81 V HN 0.803 nan 8.190 nan 0.000 0.477 82 V N 2.059 122.166 119.914 0.322 0.000 3.565 82 V HA 0.740 4.865 4.120 0.008 0.000 0.260 82 V C 0.735 177.009 176.094 0.299 0.000 1.231 82 V CA 0.999 63.509 62.300 0.351 0.000 1.100 82 V CB -0.094 31.857 31.823 0.213 0.000 0.807 82 V HN 1.056 nan 8.190 nan 0.000 0.454 83 G N -0.298 108.613 108.800 0.184 0.000 2.320 83 G HA2 0.515 4.480 3.960 0.008 0.000 0.296 83 G HA3 0.515 4.480 3.960 0.008 0.000 0.296 83 G C -1.664 173.358 174.900 0.203 0.000 1.306 83 G CA -0.139 44.972 45.100 0.018 0.000 0.836 83 G HN 1.136 nan 8.290 nan 0.000 0.517 84 Y N -1.312 118.907 120.300 -0.135 0.000 2.670 84 Y HA 0.886 5.440 4.550 0.008 0.000 0.334 84 Y C -0.871 174.768 175.900 -0.435 0.000 1.185 84 Y CA -1.561 56.490 58.100 -0.082 0.000 1.053 84 Y CB 1.488 39.976 38.460 0.047 0.000 1.298 84 Y HN 0.763 nan 8.280 nan 0.000 0.459 85 R N 1.954 122.083 120.500 -0.617 0.000 2.599 85 R HA 0.906 5.251 4.340 0.008 0.000 0.295 85 R C -1.859 174.253 176.300 -0.313 0.000 0.963 85 R CA -0.881 54.705 56.100 -0.857 0.000 0.883 85 R CB 1.804 31.264 30.300 -1.401 0.000 1.171 85 R HN 1.159 nan 8.270 nan 0.000 0.450 86 A N 3.217 125.845 122.820 -0.319 0.000 2.522 86 A HA 0.589 4.914 4.320 0.008 0.000 0.285 86 A C 0.400 177.828 177.584 -0.260 0.000 1.198 86 A CA 0.041 51.960 52.037 -0.196 0.000 0.742 86 A CB 0.972 19.808 19.000 -0.274 0.000 1.176 86 A HN 1.123 nan 8.150 nan 0.000 0.444 87 G N 2.336 111.105 108.800 -0.051 0.000 2.596 87 G HA2 -0.345 3.620 3.960 0.008 0.000 0.304 87 G HA3 -0.345 3.620 3.960 0.008 0.000 0.304 87 G C 0.783 175.625 174.900 -0.097 0.000 1.189 87 G CA 0.577 45.669 45.100 -0.013 0.000 0.986 87 G HN 0.815 nan 8.290 nan 0.000 0.548 88 N N 1.928 120.566 118.700 -0.103 0.000 2.313 88 N HA 0.307 5.052 4.740 0.008 0.000 0.207 88 N C -0.249 175.154 175.510 -0.179 0.000 1.141 88 N CA 0.897 53.880 53.050 -0.112 0.000 0.830 88 N CB 0.068 38.513 38.487 -0.070 0.000 1.008 88 N HN 0.420 nan 8.380 nan 0.000 0.481 89 S N -0.408 115.134 115.700 -0.263 0.000 2.548 89 S HA 0.779 5.254 4.470 0.008 0.000 0.286 89 S C -0.794 173.447 174.600 -0.598 0.000 1.098 89 S CA -0.747 57.215 58.200 -0.396 0.000 0.930 89 S CB 2.556 65.550 63.200 -0.344 0.000 1.070 89 S HN 0.205 nan 8.310 nan 0.000 0.480 90 A N 1.952 124.296 122.820 -0.793 0.000 2.393 90 A HA 0.832 5.157 4.320 0.008 0.000 0.306 90 A C -1.929 174.890 177.584 -1.274 0.000 1.050 90 A CA -0.586 50.888 52.037 -0.938 0.000 0.724 90 A CB 0.805 19.462 19.000 -0.572 0.000 1.248 90 A HN 0.721 nan 8.150 nan 0.000 0.424 91 Y N 0.317 119.996 120.300 -1.035 0.000 2.462 91 Y HA 0.725 5.280 4.550 0.008 0.000 0.346 91 Y C -0.815 174.447 175.900 -1.062 0.000 0.976 91 Y CA -0.644 56.923 58.100 -0.889 0.000 1.044 91 Y CB 2.061 40.154 38.460 -0.611 0.000 1.230 91 Y HN 0.576 nan 8.280 nan 0.000 0.455 92 F N 1.823 121.578 119.950 -0.325 0.000 2.565 92 F HA 0.533 5.064 4.527 0.008 0.000 0.313 92 F C -0.705 174.964 175.800 -0.218 0.000 1.091 92 F CA -1.323 56.523 58.000 -0.257 0.000 0.915 92 F CB 1.050 39.941 39.000 -0.183 0.000 1.208 92 F HN 0.234 nan 8.300 nan 0.000 0.453 93 F N 0.346 120.424 119.950 0.213 0.000 2.444 93 F HA 0.163 4.695 4.527 0.008 0.000 0.331 93 F C 0.863 176.709 175.800 0.075 0.000 1.167 93 F CA -0.417 57.656 58.000 0.123 0.000 1.262 93 F CB 0.127 39.150 39.000 0.038 0.000 1.196 93 F HN 0.444 nan 8.300 nan 0.000 0.583 94 H N 4.092 123.260 119.070 0.164 0.000 3.046 94 H HA 0.140 4.701 4.556 0.008 0.000 0.303 94 H C -2.231 173.140 175.328 0.073 0.000 1.002 94 H CA -1.700 54.385 56.048 0.062 0.000 1.460 94 H CB 0.114 29.901 29.762 0.040 0.000 1.493 94 H HN 0.171 nan 8.280 nan 0.000 0.559 95 P HA 0.010 nan 4.420 nan 0.000 0.271 95 P C -0.198 176.902 177.300 -0.334 0.000 1.218 95 P CA -0.285 62.650 63.100 -0.274 0.000 0.780 95 P CB 1.136 32.700 31.700 -0.226 0.000 0.901 96 D N 0.783 121.104 120.400 -0.131 0.000 2.277 96 D HA -0.031 4.614 4.640 0.008 0.000 0.208 96 D C 0.779 177.041 176.300 -0.063 0.000 0.962 96 D CA 1.334 55.293 54.000 -0.068 0.000 0.865 96 D CB 0.028 40.814 40.800 -0.024 0.000 0.939 96 D HN 0.602 nan 8.370 nan 0.000 0.510 97 N N -1.927 116.725 118.700 -0.080 0.000 3.277 97 N HA 0.076 4.821 4.740 0.008 0.000 0.278 97 N C 0.221 175.691 175.510 -0.066 0.000 1.544 97 N CA -0.567 52.448 53.050 -0.057 0.000 0.869 97 N CB 0.790 39.256 38.487 -0.036 0.000 1.584 97 N HN -0.445 nan 8.380 nan 0.000 0.564 98 Q N -0.218 119.553 119.800 -0.048 0.000 2.172 98 Q HA 0.035 4.380 4.340 0.008 0.000 0.200 98 Q C 1.408 177.379 176.000 -0.047 0.000 0.964 98 Q CA 1.200 56.976 55.803 -0.046 0.000 0.855 98 Q CB -0.682 28.036 28.738 -0.032 0.000 0.918 98 Q HN 0.714 nan 8.270 nan 0.000 0.444 99 c N 1.414 119.986 118.600 -0.047 0.000 2.436 99 c HA -0.141 4.434 4.570 0.008 0.000 0.277 99 c C 2.174 176.233 174.090 -0.053 0.000 1.241 99 c CA 0.832 57.129 56.329 -0.054 0.000 1.721 99 c CB -0.829 41.646 42.510 -0.058 0.000 2.043 99 c HN 0.513 nan 8.230 nan 0.000 0.472 100 D N 1.127 121.501 120.400 -0.043 0.000 2.144 100 D HA -0.068 4.577 4.640 0.008 0.000 0.200 100 D C 2.281 178.555 176.300 -0.043 0.000 0.978 100 D CA 1.566 55.557 54.000 -0.014 0.000 0.833 100 D CB -0.612 40.185 40.800 -0.004 0.000 0.961 100 D HN 0.522 nan 8.370 nan 0.000 0.470 101 A N 1.706 124.479 122.820 -0.078 0.000 1.865 101 A HA -0.254 4.071 4.320 0.008 0.000 0.217 101 A C 2.162 179.691 177.584 -0.092 0.000 1.191 101 A CA 2.223 54.194 52.037 -0.109 0.000 0.623 101 A CB -0.744 18.194 19.000 -0.103 0.000 0.826 101 A HN 0.438 nan 8.150 nan 0.000 0.444 102 E N -0.285 119.885 120.200 -0.050 0.000 2.216 102 E HA 0.136 4.491 4.350 0.008 0.000 0.192 102 E C 1.890 178.512 176.600 0.036 0.000 0.988 102 E CA 0.966 57.364 56.400 -0.004 0.000 0.834 102 E CB -0.367 29.338 29.700 0.009 0.000 0.772 102 E HN 0.445 nan 8.360 nan 0.000 0.479 103 A N 2.623 125.434 122.820 -0.015 0.000 1.877 103 A HA -0.143 4.182 4.320 0.008 0.000 0.216 103 A C 2.415 180.079 177.584 0.133 0.000 1.186 103 A CA 1.608 53.650 52.037 0.009 0.000 0.620 103 A CB -1.026 17.990 19.000 0.027 0.000 0.822 103 A HN 0.565 nan 8.150 nan 0.000 0.443 104 I N -1.337 119.216 120.570 -0.028 0.000 2.916 104 I HA -0.119 4.056 4.170 0.008 0.000 0.267 104 I C 1.964 177.831 176.117 -0.416 0.000 1.263 104 I CA 1.762 62.850 61.300 -0.353 0.000 1.471 104 I CB -1.035 36.563 38.000 -0.670 0.000 1.089 104 I HN 0.337 nan 8.210 nan 0.000 0.468 105 T N -2.351 112.118 114.554 -0.141 0.000 3.072 105 T HA -0.084 4.271 4.350 0.008 0.000 0.266 105 T C 1.196 175.875 174.700 -0.035 0.000 1.127 105 T CA 0.935 62.968 62.100 -0.111 0.000 1.107 105 T CB -0.693 68.145 68.868 -0.050 0.000 0.910 105 T HN 0.507 nan 8.240 nan 0.000 0.513 106 H N 0.082 119.115 119.070 -0.061 0.000 2.526 106 H HA 0.510 5.071 4.556 0.008 0.000 0.274 106 H C 0.123 175.470 175.328 0.033 0.000 0.999 106 H CA -0.366 55.706 56.048 0.041 0.000 1.157 106 H CB -0.127 29.726 29.762 0.152 0.000 1.407 106 H HN 0.341 nan 8.280 nan 0.000 0.568 107 L N 0.390 121.577 121.223 -0.060 0.000 2.309 107 L HA 0.195 4.540 4.340 0.008 0.000 0.282 107 L C -0.285 176.492 176.870 -0.155 0.000 1.036 107 L CA -0.912 53.725 54.840 -0.339 0.000 0.806 107 L CB 0.855 42.492 42.059 -0.704 0.000 1.220 107 L HN 0.150 nan 8.230 nan 0.000 0.429 108 F N 0.371 120.392 119.950 0.118 0.000 3.004 108 F HA -0.257 4.274 4.527 0.007 0.000 0.264 108 F C 1.789 177.622 175.800 0.055 0.000 0.979 108 F CA 0.889 58.935 58.000 0.077 0.000 0.896 108 F CB -2.468 36.556 39.000 0.040 0.000 0.813 108 F HN 0.702 nan 8.300 nan 0.000 0.804 109 T N -3.085 111.560 114.554 0.151 0.000 2.929 109 T HA -0.204 4.151 4.350 0.008 0.000 0.271 109 T C 1.456 176.196 174.700 0.067 0.000 1.085 109 T CA 1.388 63.534 62.100 0.077 0.000 1.125 109 T CB -0.170 68.710 68.868 0.021 0.000 0.874 109 T HN 0.633 nan 8.240 nan 0.000 0.494 110 D N 0.869 121.322 120.400 0.088 0.000 2.340 110 D HA 0.066 4.711 4.640 0.008 0.000 0.220 110 D C 0.732 177.058 176.300 0.042 0.000 1.039 110 D CA -0.255 53.779 54.000 0.056 0.000 0.866 110 D CB -0.338 40.498 40.800 0.059 0.000 0.913 110 D HN 0.383 nan 8.370 nan 0.000 0.523 111 V N 1.141 121.088 119.914 0.054 0.000 2.686 111 V HA -0.042 4.083 4.120 0.008 0.000 0.295 111 V C 1.599 177.678 176.094 -0.024 0.000 1.055 111 V CA 0.042 62.341 62.300 -0.003 0.000 1.050 111 V CB 1.522 33.325 31.823 -0.034 0.000 0.984 111 V HN 0.080 nan 8.190 nan 0.000 0.482 112 Q N 4.238 124.008 119.800 -0.050 0.000 2.049 112 Q HA 0.007 4.352 4.340 0.008 0.000 0.198 112 Q C 0.241 176.200 176.000 -0.069 0.000 0.971 112 Q CA 1.175 56.948 55.803 -0.050 0.000 0.833 112 Q CB 0.210 28.919 28.738 -0.048 0.000 0.896 112 Q HN 0.829 nan 8.270 nan 0.000 0.434 113 N N 1.152 119.782 118.700 -0.115 0.000 2.408 113 N HA 0.293 5.038 4.740 0.008 0.000 0.280 113 N C -1.262 174.121 175.510 -0.211 0.000 1.002 113 N CA -0.124 52.838 53.050 -0.148 0.000 0.907 113 N CB 1.533 39.913 38.487 -0.177 0.000 1.161 113 N HN 0.124 nan 8.380 nan 0.000 0.488 114 R N 1.502 121.917 120.500 -0.141 0.000 2.561 114 R HA 0.425 4.770 4.340 0.008 0.000 0.297 114 R C -1.399 174.859 176.300 -0.069 0.000 0.969 114 R CA -0.787 55.241 56.100 -0.120 0.000 0.879 114 R CB 2.025 32.336 30.300 0.019 0.000 1.178 114 R HN 0.544 nan 8.270 nan 0.000 0.445 115 Y N 0.578 120.682 120.300 -0.326 0.000 2.470 115 Y HA 0.320 4.875 4.550 0.008 0.000 0.341 115 Y C -1.236 174.522 175.900 -0.237 0.000 1.021 115 Y CA -0.461 57.486 58.100 -0.255 0.000 1.025 115 Y CB 2.485 40.778 38.460 -0.279 0.000 1.266 115 Y HN 0.493 nan 8.280 nan 0.000 0.448 116 T N 7.230 121.275 114.554 -0.848 0.000 2.772 116 T HA 0.409 4.764 4.350 0.008 0.000 0.288 116 T C -0.661 173.583 174.700 -0.759 0.000 0.994 116 T CA -0.363 61.396 62.100 -0.569 0.000 0.951 116 T CB -0.099 68.621 68.868 -0.247 0.000 0.933 116 T HN 0.324 nan 8.240 nan 0.000 0.447 117 F N 1.429 121.171 119.950 -0.347 0.000 2.539 117 F HA 0.347 4.879 4.527 0.008 0.000 0.340 117 F C 1.606 177.221 175.800 -0.307 0.000 1.185 117 F CA -0.860 56.902 58.000 -0.397 0.000 1.333 117 F CB 0.318 38.727 39.000 -0.986 0.000 1.152 117 F HN 0.655 nan 8.300 nan 0.000 0.602 118 A N 2.100 124.930 122.820 0.017 0.000 2.169 118 A HA 0.145 4.470 4.320 0.008 0.000 0.212 118 A C 0.257 177.824 177.584 -0.028 0.000 1.153 118 A CA 0.209 52.238 52.037 -0.014 0.000 0.756 118 A CB -1.017 18.035 19.000 0.087 0.000 0.813 118 A HN 0.543 nan 8.150 nan 0.000 0.471 119 F N -2.472 117.584 119.950 0.177 0.000 2.483 119 F HA 0.788 5.320 4.527 0.008 0.000 0.329 119 F C 0.598 176.536 175.800 0.230 0.000 1.064 119 F CA -1.247 56.827 58.000 0.122 0.000 0.986 119 F CB 0.313 39.350 39.000 0.061 0.000 1.218 119 F HN -0.003 nan 8.300 nan 0.000 0.484 120 G N -0.632 108.357 108.800 0.316 0.000 2.557 120 G HA2 0.429 4.394 3.960 0.008 0.000 0.292 120 G HA3 0.429 4.394 3.960 0.008 0.000 0.292 120 G C 0.352 175.151 174.900 -0.168 0.000 1.237 120 G CA -0.688 44.488 45.100 0.128 0.000 0.978 120 G HN 1.144 nan 8.290 nan 0.000 0.498 121 G N -0.347 108.003 108.800 -0.751 0.000 3.523 121 G HA2 0.115 4.080 3.960 0.008 0.000 0.270 121 G HA3 0.115 4.080 3.960 0.008 0.000 0.270 121 G C 0.530 174.888 174.900 -0.903 0.000 1.134 121 G CA -0.467 43.650 45.100 -1.640 0.000 0.825 121 G HN 0.722 nan 8.290 nan 0.000 0.534 122 N N -0.346 118.033 118.700 -0.535 0.000 2.503 122 N HA 0.036 4.781 4.740 0.008 0.000 0.267 122 N C 0.504 175.810 175.510 -0.340 0.000 1.214 122 N CA -0.440 52.332 53.050 -0.464 0.000 0.959 122 N CB 1.093 39.422 38.487 -0.263 0.000 1.142 122 N HN 0.006 nan 8.380 nan 0.000 0.455 123 Y N 0.411 120.582 120.300 -0.215 0.000 2.114 123 Y HA -0.225 4.330 4.550 0.008 0.000 0.282 123 Y C 1.980 177.818 175.900 -0.102 0.000 1.165 123 Y CA 1.684 59.703 58.100 -0.135 0.000 1.148 123 Y CB -0.438 37.962 38.460 -0.101 0.000 0.972 123 Y HN 0.550 nan 8.280 nan 0.000 0.504 124 D N -0.478 119.960 120.400 0.064 0.000 2.123 124 D HA -0.181 4.464 4.640 0.008 0.000 0.196 124 D C 2.287 178.574 176.300 -0.021 0.000 0.992 124 D CA 1.454 55.463 54.000 0.015 0.000 0.833 124 D CB -0.271 40.530 40.800 0.002 0.000 0.954 124 D HN 0.167 nan 8.370 nan 0.000 0.455 125 R N 0.633 121.102 120.500 -0.051 0.000 2.066 125 R HA -0.080 4.265 4.340 0.008 0.000 0.232 125 R C 2.149 178.384 176.300 -0.108 0.000 1.131 125 R CA 0.771 56.826 56.100 -0.074 0.000 0.955 125 R CB -0.868 29.399 30.300 -0.055 0.000 0.851 125 R HN 0.048 nan 8.270 nan 0.000 0.432 126 L N 1.270 122.436 121.223 -0.094 0.000 2.046 126 L HA -0.114 4.231 4.340 0.008 0.000 0.208 126 L C 2.184 179.035 176.870 -0.032 0.000 1.077 126 L CA 1.800 56.603 54.840 -0.062 0.000 0.747 126 L CB -0.895 41.154 42.059 -0.017 0.000 0.896 126 L HN 0.244 nan 8.230 nan 0.000 0.432 127 E N -0.701 119.497 120.200 -0.004 0.000 2.077 127 E HA -0.256 4.099 4.350 0.008 0.000 0.193 127 E C 2.034 178.615 176.600 -0.033 0.000 0.989 127 E CA 0.946 57.344 56.400 -0.003 0.000 0.800 127 E CB -0.255 29.449 29.700 0.008 0.000 0.746 127 E HN 0.515 nan 8.360 nan 0.000 0.452 128 Q N 0.902 120.673 119.800 -0.050 0.000 2.050 128 Q HA -0.131 4.214 4.340 0.008 0.000 0.202 128 Q C 2.387 178.334 176.000 -0.089 0.000 0.980 128 Q CA 1.036 56.802 55.803 -0.062 0.000 0.840 128 Q CB -0.245 28.453 28.738 -0.065 0.000 0.898 128 Q HN 0.316 nan 8.270 nan 0.000 0.424 129 L N 0.358 121.500 121.223 -0.136 0.000 2.141 129 L HA -0.109 4.237 4.340 0.008 0.000 0.209 129 L C 2.527 179.330 176.870 -0.111 0.000 1.094 129 L CA 0.918 55.653 54.840 -0.176 0.000 0.763 129 L CB -0.634 41.236 42.059 -0.315 0.000 0.908 129 L HN 0.169 nan 8.230 nan 0.000 0.437 130 A N 0.079 122.855 122.820 -0.074 0.000 2.121 130 A HA 0.109 4.434 4.320 0.008 0.000 0.218 130 A C 1.827 179.387 177.584 -0.039 0.000 1.154 130 A CA 0.962 52.972 52.037 -0.045 0.000 0.679 130 A CB -0.902 18.086 19.000 -0.019 0.000 0.795 130 A HN 0.493 nan 8.150 nan 0.000 0.458 131 G N 1.207 109.981 108.800 -0.043 0.000 2.661 131 G HA2 -0.514 3.451 3.960 0.008 0.000 0.327 131 G HA3 -0.514 3.451 3.960 0.008 0.000 0.327 131 G C 0.996 175.881 174.900 -0.024 0.000 1.320 131 G CA 0.980 46.059 45.100 -0.034 0.000 0.997 131 G HN 0.931 nan 8.290 nan 0.000 0.543 132 N N 0.566 119.253 118.700 -0.021 0.000 2.106 132 N HA -0.077 4.668 4.740 0.008 0.000 0.188 132 N C 2.417 177.918 175.510 -0.015 0.000 1.029 132 N CA 2.218 55.258 53.050 -0.016 0.000 0.848 132 N CB -0.679 37.800 38.487 -0.014 0.000 1.007 132 N HN 0.954 nan 8.380 nan 0.000 0.423 133 L N 0.231 121.445 121.223 -0.016 0.000 2.113 133 L HA -0.156 4.189 4.340 0.008 0.000 0.221 133 L C 0.430 177.293 176.870 -0.011 0.000 1.084 133 L CA 1.858 56.690 54.840 -0.013 0.000 0.787 133 L CB -0.514 41.535 42.059 -0.016 0.000 0.893 133 L HN 0.192 nan 8.230 nan 0.000 0.440 134 R N -0.198 120.296 120.500 -0.011 0.000 2.468 134 R HA 0.404 4.749 4.340 0.008 0.000 0.302 134 R C -1.279 175.016 176.300 -0.008 0.000 1.041 134 R CA -0.365 55.730 56.100 -0.007 0.000 0.899 134 R CB 1.000 31.298 30.300 -0.002 0.000 1.167 134 R HN 0.081 nan 8.270 nan 0.000 0.483 135 E N 2.583 122.777 120.200 -0.009 0.000 2.149 135 E HA 0.374 4.729 4.350 0.008 0.000 0.255 135 E C -1.196 175.398 176.600 -0.011 0.000 0.888 135 E CA -0.426 55.968 56.400 -0.011 0.000 0.742 135 E CB 0.267 29.960 29.700 -0.011 0.000 1.164 135 E HN 0.527 nan 8.360 nan 0.000 0.422 136 N N 2.899 121.591 118.700 -0.013 0.000 2.483 136 N HA -0.158 4.587 4.740 0.008 0.000 0.280 136 N C -1.112 174.393 175.510 -0.008 0.000 1.315 136 N CA 0.487 53.528 53.050 -0.014 0.000 0.637 136 N CB -0.754 37.724 38.487 -0.015 0.000 0.893 136 N HN 0.517 nan 8.380 nan 0.000 0.535 137 I N 0.362 120.930 120.570 -0.003 0.000 2.471 137 I HA 0.082 4.257 4.170 0.008 0.000 0.286 137 I C 1.077 177.196 176.117 0.003 0.000 1.079 137 I CA -0.242 61.061 61.300 0.005 0.000 1.398 137 I CB 0.744 38.755 38.000 0.019 0.000 1.403 137 I HN 0.361 nan 8.210 nan 0.000 0.530 138 E N 6.950 127.152 120.200 0.003 0.000 2.316 138 E HA 0.378 4.733 4.350 0.008 0.000 0.275 138 E C -1.044 175.559 176.600 0.005 0.000 1.029 138 E CA -0.081 56.319 56.400 0.000 0.000 0.871 138 E CB 0.727 30.427 29.700 -0.001 0.000 1.022 138 E HN 0.408 nan 8.360 nan 0.000 0.418 139 L N 3.234 124.457 121.223 -0.000 0.000 2.332 139 L HA 0.895 5.240 4.340 0.008 0.000 0.269 139 L C 0.636 177.498 176.870 -0.014 0.000 1.016 139 L CA -0.377 54.463 54.840 0.001 0.000 0.809 139 L CB 1.803 43.862 42.059 0.000 0.000 1.280 139 L HN 0.785 nan 8.230 nan 0.000 0.447 140 G N 0.152 108.938 108.800 -0.022 0.000 2.368 140 G HA2 -0.140 3.825 3.960 0.008 0.000 0.302 140 G HA3 -0.140 3.825 3.960 0.008 0.000 0.302 140 G C -0.255 174.634 174.900 -0.019 0.000 1.329 140 G CA -0.250 44.826 45.100 -0.040 0.000 0.935 140 G HN 0.614 nan 8.290 nan 0.000 0.590 141 N N -0.389 118.304 118.700 -0.012 0.000 2.188 141 N HA -0.108 4.637 4.740 0.008 0.000 0.184 141 N C 2.277 177.816 175.510 0.048 0.000 1.018 141 N CA 2.180 55.250 53.050 0.035 0.000 0.858 141 N CB -0.265 38.248 38.487 0.044 0.000 0.989 141 N HN 0.707 nan 8.380 nan 0.000 0.426 142 G N 1.419 110.239 108.800 0.033 0.000 2.433 142 G HA2 -0.140 3.825 3.960 0.008 0.000 0.216 142 G HA3 -0.140 3.825 3.960 0.008 0.000 0.216 142 G C -0.803 174.117 174.900 0.033 0.000 1.186 142 G CA 0.379 45.499 45.100 0.034 0.000 0.779 142 G HN 0.383 nan 8.290 nan 0.000 0.543 143 P HA -0.053 nan 4.420 nan 0.000 0.216 143 P C 1.975 179.299 177.300 0.039 0.000 1.150 143 P CA 0.465 63.582 63.100 0.027 0.000 0.837 143 P CB -0.047 31.666 31.700 0.022 0.000 0.786 144 L N 0.293 121.549 121.223 0.054 0.000 2.093 144 L HA -0.140 4.205 4.340 0.008 0.000 0.208 144 L C 2.250 179.161 176.870 0.068 0.000 1.085 144 L CA 1.938 56.825 54.840 0.079 0.000 0.755 144 L CB -1.310 40.825 42.059 0.125 0.000 0.904 144 L HN -0.137 nan 8.230 nan 0.000 0.435 145 E N -0.023 120.214 120.200 0.061 0.000 2.038 145 E HA -0.318 4.037 4.350 0.008 0.000 0.195 145 E C 2.135 178.762 176.600 0.044 0.000 1.000 145 E CA 1.805 58.236 56.400 0.052 0.000 0.803 145 E CB -0.286 29.456 29.700 0.070 0.000 0.750 145 E HN 0.563 nan 8.360 nan 0.000 0.448 146 E N -0.185 120.040 120.200 0.043 0.000 2.150 146 E HA -0.061 4.294 4.350 0.008 0.000 0.193 146 E C 1.796 178.414 176.600 0.031 0.000 0.985 146 E CA 1.353 57.778 56.400 0.042 0.000 0.814 146 E CB -0.480 29.240 29.700 0.034 0.000 0.752 146 E HN 0.365 nan 8.360 nan 0.000 0.466 147 A N 0.492 123.322 122.820 0.017 0.000 1.933 147 A HA -0.130 4.195 4.320 0.008 0.000 0.218 147 A C 2.279 179.842 177.584 -0.035 0.000 1.175 147 A CA 1.417 53.444 52.037 -0.016 0.000 0.628 147 A CB -0.662 18.337 19.000 -0.001 0.000 0.814 147 A HN 0.358 nan 8.150 nan 0.000 0.444 148 I N -0.229 120.339 120.570 -0.003 0.000 2.226 148 I HA -0.237 3.938 4.170 0.008 0.000 0.245 148 I C 2.657 178.773 176.117 -0.002 0.000 1.100 148 I CA 1.483 62.779 61.300 -0.007 0.000 1.374 148 I CB -0.229 37.776 38.000 0.008 0.000 1.057 148 I HN 0.229 nan 8.210 nan 0.000 0.413 149 S N 0.624 116.335 115.700 0.017 0.000 2.368 149 S HA -0.139 4.336 4.470 0.008 0.000 0.224 149 S C 2.267 176.937 174.600 0.117 0.000 1.029 149 S CA 1.238 59.462 58.200 0.039 0.000 0.988 149 S CB -0.350 62.943 63.200 0.154 0.000 0.838 149 S HN 0.540 nan 8.310 nan 0.000 0.462 150 A N 1.321 124.197 122.820 0.093 0.000 1.883 150 A HA -0.061 4.264 4.320 0.008 0.000 0.217 150 A C 2.072 179.670 177.584 0.023 0.000 1.186 150 A CA 1.307 53.392 52.037 0.080 0.000 0.624 150 A CB -0.727 18.263 19.000 -0.016 0.000 0.822 150 A HN 0.379 nan 8.150 nan 0.000 0.444 151 L N -2.174 118.989 121.223 -0.101 0.000 2.046 151 L HA -0.137 4.208 4.340 0.008 0.000 0.208 151 L C 2.376 179.299 176.870 0.089 0.000 1.077 151 L CA 1.890 56.617 54.840 -0.188 0.000 0.747 151 L CB -0.909 40.859 42.059 -0.485 0.000 0.896 151 L HN 0.572 nan 8.230 nan 0.000 0.432 152 Y N -1.469 118.809 120.300 -0.037 0.000 2.133 152 Y HA -0.317 4.238 4.550 0.009 0.000 0.287 152 Y C 2.346 178.195 175.900 -0.086 0.000 1.134 152 Y CA 1.708 59.754 58.100 -0.091 0.000 1.133 152 Y CB -0.305 37.956 38.460 -0.331 0.000 0.987 152 Y HN 0.132 nan 8.280 nan 0.000 0.502 153 Y N -1.503 118.937 120.300 0.233 0.000 2.497 153 Y HA -0.225 4.330 4.550 0.009 0.000 0.292 153 Y C 2.184 178.114 175.900 0.050 0.000 1.137 153 Y CA 0.929 59.114 58.100 0.141 0.000 1.285 153 Y CB -1.253 37.286 38.460 0.132 0.000 0.991 153 Y HN 0.332 nan 8.280 nan 0.000 0.556 154 Y N 1.172 121.507 120.300 0.059 0.000 2.207 154 Y HA -0.311 4.244 4.550 0.008 0.000 0.287 154 Y C 2.565 178.431 175.900 -0.056 0.000 1.156 154 Y CA 1.535 59.619 58.100 -0.028 0.000 1.182 154 Y CB -0.596 37.797 38.460 -0.112 0.000 0.979 154 Y HN 0.156 nan 8.280 nan 0.000 0.521 155 S N -1.897 113.738 115.700 -0.109 0.000 2.507 155 S HA -0.108 4.367 4.470 0.008 0.000 0.235 155 S C 1.356 175.884 174.600 -0.119 0.000 0.988 155 S CA 1.100 59.235 58.200 -0.108 0.000 0.944 155 S CB -0.999 62.161 63.200 -0.067 0.000 0.762 155 S HN 0.596 nan 8.310 nan 0.000 0.526 156 T N -3.886 110.626 114.554 -0.069 0.000 3.145 156 T HA 0.611 4.966 4.350 0.008 0.000 0.281 156 T C 1.262 175.941 174.700 -0.035 0.000 1.003 156 T CA 0.209 62.299 62.100 -0.016 0.000 0.901 156 T CB 0.244 69.168 68.868 0.095 0.000 1.112 156 T HN 1.030 nan 8.240 nan 0.000 0.535 157 G N 0.594 109.331 108.800 -0.106 0.000 2.157 157 G HA2 -0.162 3.803 3.960 0.008 0.000 0.248 157 G HA3 -0.162 3.803 3.960 0.008 0.000 0.248 157 G C 0.888 175.766 174.900 -0.035 0.000 0.979 157 G CA -0.119 44.923 45.100 -0.097 0.000 0.650 157 G HN 1.008 nan 8.290 nan 0.000 0.529 158 G N -0.776 108.033 108.800 0.015 0.000 3.088 158 G HA2 0.437 4.402 3.960 0.008 0.000 0.217 158 G HA3 0.437 4.402 3.960 0.008 0.000 0.217 158 G C 0.375 175.310 174.900 0.059 0.000 1.159 158 G CA 1.133 46.238 45.100 0.009 0.000 0.760 158 G HN 0.678 nan 8.290 nan 0.000 0.550 159 T N 1.417 116.040 114.554 0.116 0.000 2.809 159 T HA 0.418 4.773 4.350 0.008 0.000 0.284 159 T C -0.566 174.247 174.700 0.189 0.000 0.992 159 T CA -0.564 61.634 62.100 0.164 0.000 0.957 159 T CB 2.278 71.295 68.868 0.248 0.000 0.942 159 T HN -0.052 nan 8.240 nan 0.000 0.439 160 Q N 1.909 121.773 119.800 0.107 0.000 2.312 160 Q HA 0.276 4.621 4.340 0.008 0.000 0.236 160 Q C 1.196 177.243 176.000 0.078 0.000 0.965 160 Q CA -0.649 55.210 55.803 0.093 0.000 0.894 160 Q CB 1.095 29.858 28.738 0.041 0.000 1.225 160 Q HN 0.512 nan 8.270 nan 0.000 0.478 161 L N 4.117 125.385 121.223 0.074 0.000 2.013 161 L HA -0.158 4.187 4.340 0.008 0.000 0.212 161 L C -0.941 175.887 176.870 -0.070 0.000 1.073 161 L CA 2.302 57.139 54.840 -0.006 0.000 0.753 161 L CB -1.549 40.507 42.059 -0.006 0.000 0.890 161 L HN 0.546 nan 8.230 nan 0.000 0.432 162 P HA -0.113 nan 4.420 nan 0.000 0.216 162 P C 1.586 178.856 177.300 -0.051 0.000 1.150 162 P CA 1.737 64.804 63.100 -0.054 0.000 0.837 162 P CB -0.118 31.561 31.700 -0.035 0.000 0.786 163 T N -0.441 114.087 114.554 -0.042 0.000 2.857 163 T HA -0.056 4.299 4.350 0.008 0.000 0.266 163 T C 1.675 176.313 174.700 -0.104 0.000 1.048 163 T CA 0.655 62.727 62.100 -0.046 0.000 1.139 163 T CB -0.762 68.095 68.868 -0.017 0.000 0.874 163 T HN 0.050 nan 8.240 nan 0.000 0.455 164 L N 0.764 121.891 121.223 -0.159 0.000 2.046 164 L HA -0.092 4.253 4.340 0.008 0.000 0.208 164 L C 2.816 179.503 176.870 -0.305 0.000 1.077 164 L CA 1.598 56.224 54.840 -0.357 0.000 0.747 164 L CB -0.731 41.025 42.059 -0.504 0.000 0.896 164 L HN 0.275 nan 8.230 nan 0.000 0.432 165 A N -0.031 122.731 122.820 -0.095 0.000 1.877 165 A HA -0.280 4.045 4.320 0.008 0.000 0.216 165 A C 2.403 180.029 177.584 0.071 0.000 1.186 165 A CA 1.827 53.905 52.037 0.069 0.000 0.620 165 A CB -0.703 18.283 19.000 -0.023 0.000 0.822 165 A HN 0.442 nan 8.150 nan 0.000 0.443 166 R N -0.164 120.336 120.500 0.000 0.000 2.105 166 R HA -0.119 4.226 4.340 0.008 0.000 0.239 166 R C 2.209 178.519 176.300 0.017 0.000 1.135 166 R CA 1.876 57.984 56.100 0.014 0.000 0.967 166 R CB -0.325 29.970 30.300 -0.008 0.000 0.861 166 R HN 0.501 nan 8.270 nan 0.000 0.442 167 S N 0.245 115.909 115.700 -0.060 0.000 2.383 167 S HA -0.077 4.398 4.470 0.008 0.000 0.227 167 S C 1.519 176.103 174.600 -0.028 0.000 1.026 167 S CA 0.992 59.135 58.200 -0.096 0.000 0.981 167 S CB -0.260 62.803 63.200 -0.229 0.000 0.818 167 S HN 0.239 nan 8.310 nan 0.000 0.472 168 F N 1.820 121.775 119.950 0.007 0.000 2.134 168 F HA 0.015 4.547 4.527 0.008 0.000 0.299 168 F C 2.033 177.884 175.800 0.086 0.000 1.097 168 F CA 0.228 58.267 58.000 0.064 0.000 1.264 168 F CB -0.750 38.341 39.000 0.152 0.000 1.001 168 F HN 0.158 nan 8.300 nan 0.000 0.479 169 I N -0.448 120.289 120.570 0.278 0.000 2.226 169 I HA -0.319 3.856 4.170 0.008 0.000 0.245 169 I C 2.336 178.579 176.117 0.210 0.000 1.100 169 I CA 1.367 62.808 61.300 0.236 0.000 1.374 169 I CB -0.501 37.613 38.000 0.189 0.000 1.057 169 I HN 0.077 nan 8.210 nan 0.000 0.413 170 I N 0.072 120.733 120.570 0.153 0.000 2.179 170 I HA -0.321 3.854 4.170 0.008 0.000 0.242 170 I C 2.674 178.885 176.117 0.158 0.000 1.088 170 I CA 1.242 62.618 61.300 0.126 0.000 1.357 170 I CB -0.404 37.644 38.000 0.080 0.000 1.051 170 I HN 0.350 nan 8.210 nan 0.000 0.409 171 C N 0.699 120.104 119.300 0.174 0.000 2.429 171 C HA -0.121 4.344 4.460 0.008 0.000 0.277 171 C C 2.731 177.858 174.990 0.228 0.000 1.262 171 C CA 0.537 59.676 59.018 0.201 0.000 1.733 171 C CB -0.806 27.055 27.740 0.202 0.000 2.010 171 C HN 0.428 nan 8.230 nan 0.000 0.483 172 I N 0.509 121.227 120.570 0.247 0.000 2.202 172 I HA -0.257 3.918 4.170 0.008 0.000 0.242 172 I C 2.702 178.990 176.117 0.285 0.000 1.091 172 I CA 1.577 63.032 61.300 0.257 0.000 1.368 172 I CB -0.611 37.507 38.000 0.196 0.000 1.058 172 I HN 0.475 nan 8.210 nan 0.000 0.410 173 Q N 0.073 120.044 119.800 0.285 0.000 2.119 173 Q HA -0.131 4.214 4.340 0.008 0.000 0.201 173 Q C 2.213 178.320 176.000 0.178 0.000 0.972 173 Q CA 1.339 57.285 55.803 0.237 0.000 0.847 173 Q CB -0.068 28.773 28.738 0.172 0.000 0.903 173 Q HN 0.537 nan 8.270 nan 0.000 0.433 174 M N -0.641 119.068 119.600 0.182 0.000 2.506 174 M HA 0.025 4.510 4.480 0.008 0.000 0.260 174 M C 1.367 177.813 176.300 0.244 0.000 1.104 174 M CA 0.935 56.361 55.300 0.209 0.000 1.112 174 M CB 0.386 33.097 32.600 0.186 0.000 1.401 174 M HN 0.191 nan 8.290 nan 0.000 0.473 175 I N -2.402 118.276 120.570 0.179 0.000 3.674 175 I HA 0.004 4.179 4.170 0.008 0.000 0.248 175 I C 2.133 178.253 176.117 0.005 0.000 1.134 175 I CA 0.148 61.496 61.300 0.080 0.000 1.519 175 I CB -0.279 37.823 38.000 0.171 0.000 1.598 175 I HN -0.065 nan 8.210 nan 0.000 0.442 176 S N 0.859 116.596 115.700 0.062 0.000 2.351 176 S HA -0.248 4.227 4.470 0.008 0.000 0.220 176 S C 1.862 176.429 174.600 -0.055 0.000 1.035 176 S CA 2.028 60.217 58.200 -0.019 0.000 1.031 176 S CB -0.283 62.955 63.200 0.063 0.000 0.928 176 S HN 0.336 nan 8.310 nan 0.000 0.433 177 E N 1.339 121.595 120.200 0.093 0.000 2.110 177 E HA -0.007 4.348 4.350 0.008 0.000 0.193 177 E C 1.978 178.645 176.600 0.110 0.000 0.988 177 E CA 1.114 57.593 56.400 0.131 0.000 0.804 177 E CB -0.441 29.407 29.700 0.245 0.000 0.745 177 E HN 0.421 nan 8.360 nan 0.000 0.458 178 A N 0.529 123.404 122.820 0.091 0.000 1.902 178 A HA -0.049 4.276 4.320 0.008 0.000 0.217 178 A C 2.390 180.017 177.584 0.072 0.000 1.181 178 A CA 1.930 54.028 52.037 0.100 0.000 0.623 178 A CB -0.875 18.170 19.000 0.076 0.000 0.818 178 A HN 0.356 nan 8.150 nan 0.000 0.443 179 A N -0.337 122.461 122.820 -0.036 0.000 1.898 179 A HA -0.108 4.217 4.320 0.008 0.000 0.216 179 A C 2.243 179.821 177.584 -0.009 0.000 1.181 179 A CA 1.400 53.393 52.037 -0.073 0.000 0.620 179 A CB -0.438 18.471 19.000 -0.151 0.000 0.819 179 A HN 0.527 nan 8.150 nan 0.000 0.442 180 R N -1.742 118.740 120.500 -0.029 0.000 2.080 180 R HA -0.148 4.197 4.340 0.008 0.000 0.236 180 R C 2.026 178.386 176.300 0.100 0.000 1.137 180 R CA 1.708 57.797 56.100 -0.018 0.000 0.943 180 R CB -0.623 29.627 30.300 -0.084 0.000 0.846 180 R HN 0.584 nan 8.270 nan 0.000 0.431 181 F N 2.155 122.111 119.950 0.009 0.000 2.091 181 F HA -0.287 4.245 4.527 0.008 0.000 0.299 181 F C 2.167 177.985 175.800 0.030 0.000 1.103 181 F CA 1.790 59.806 58.000 0.027 0.000 1.228 181 F CB -0.305 38.708 39.000 0.022 0.000 0.984 181 F HN 0.012 nan 8.300 nan 0.000 0.477 182 Q N -1.518 118.200 119.800 -0.138 0.000 2.167 182 Q HA -0.238 4.107 4.340 0.008 0.000 0.202 182 Q C 2.103 177.998 176.000 -0.175 0.000 0.970 182 Q CA 1.774 57.430 55.803 -0.245 0.000 0.855 182 Q CB -0.555 28.144 28.738 -0.066 0.000 0.911 182 Q HN 0.665 nan 8.270 nan 0.000 0.438 183 Y N 0.962 121.157 120.300 -0.176 0.000 2.145 183 Y HA -0.208 4.347 4.550 0.008 0.000 0.286 183 Y C 1.881 177.692 175.900 -0.148 0.000 1.145 183 Y CA 1.429 59.446 58.100 -0.138 0.000 1.148 183 Y CB 0.016 38.413 38.460 -0.105 0.000 0.981 183 Y HN 0.009 nan 8.280 nan 0.000 0.507 184 I N -0.071 120.524 120.570 0.043 0.000 2.315 184 I HA -0.225 3.950 4.170 0.008 0.000 0.248 184 I C 1.956 177.970 176.117 -0.171 0.000 1.117 184 I CA 1.199 62.484 61.300 -0.026 0.000 1.404 184 I CB -0.335 37.675 38.000 0.016 0.000 1.071 184 I HN 0.236 nan 8.210 nan 0.000 0.419 185 E N 0.861 120.871 120.200 -0.316 0.000 2.347 185 E HA -0.084 4.271 4.350 0.008 0.000 0.196 185 E C 2.166 178.619 176.600 -0.245 0.000 1.008 185 E CA 0.932 57.136 56.400 -0.328 0.000 0.852 185 E CB -0.202 29.166 29.700 -0.553 0.000 0.783 185 E HN 0.546 nan 8.360 nan 0.000 0.505 186 G N 2.048 110.689 108.800 -0.264 0.000 2.394 186 G HA2 -0.236 3.729 3.960 0.008 0.000 0.215 186 G HA3 -0.236 3.729 3.960 0.008 0.000 0.215 186 G C 1.103 175.869 174.900 -0.224 0.000 1.165 186 G CA 0.423 45.373 45.100 -0.249 0.000 0.784 186 G HN 0.355 nan 8.290 nan 0.000 0.535 187 E N 0.933 120.989 120.200 -0.241 0.000 2.296 187 E HA 0.322 4.677 4.350 0.008 0.000 0.196 187 E C 0.294 176.826 176.600 -0.114 0.000 1.143 187 E CA -0.594 55.700 56.400 -0.176 0.000 1.145 187 E CB -0.339 29.254 29.700 -0.178 0.000 1.215 187 E HN 0.054 nan 8.360 nan 0.000 0.447 188 M N 0.000 119.531 119.600 -0.114 0.000 2.572 188 M HA 0.000 4.485 4.480 0.008 0.000 0.227 188 M CA 0.000 55.251 55.300 -0.082 0.000 0.988 188 M CB 0.000 32.562 32.600 -0.062 0.000 1.302 188 M HN 0.000 nan 8.290 nan 0.000 0.411