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 1m8a_1_B DATA FIRST_RESID 5 DATA SEQUENCE DccLGYTDRI LHPKFIVGFT RQLANEGcDI NAIIFHTKKK LSVcANPKQT DATA SEQUENCE WVKYIVRLLS K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.310 176.300 0.017 0.000 2.045 5 D CA 0.000 54.011 54.000 0.018 0.000 0.868 5 D CB 0.000 40.814 40.800 0.024 0.000 0.688 6 c N 2.157 120.761 118.600 0.007 0.000 2.662 6 c HA 0.275 4.846 4.570 0.002 0.000 0.420 6 c C 1.159 175.244 174.090 -0.007 0.000 1.314 6 c CA -0.641 55.689 56.329 0.002 0.000 1.963 6 c CB -0.582 41.924 42.510 -0.006 0.000 2.686 6 c HN 0.633 nan 8.230 nan 0.000 0.609 7 c N 3.601 122.196 118.600 -0.009 0.000 2.642 7 c HA 0.108 4.679 4.570 0.002 0.000 0.420 7 c C 1.547 175.585 174.090 -0.087 0.000 1.349 7 c CA 0.015 56.323 56.329 -0.036 0.000 1.821 7 c CB -0.918 41.581 42.510 -0.017 0.000 2.637 7 c HN 0.843 nan 8.230 nan 0.000 0.605 8 L N 2.407 123.560 121.223 -0.117 0.000 2.766 8 L HA 0.371 4.713 4.340 0.002 0.000 0.242 8 L C 1.123 177.849 176.870 -0.240 0.000 1.136 8 L CA 0.361 55.117 54.840 -0.140 0.000 0.933 8 L CB -0.319 41.690 42.059 -0.083 0.000 1.241 8 L HN 0.933 nan 8.230 nan 0.000 0.522 9 G N -1.177 107.418 108.800 -0.341 0.000 2.489 9 G HA2 0.442 4.404 3.960 0.002 0.000 0.305 9 G HA3 0.442 4.404 3.960 0.002 0.000 0.305 9 G C -2.159 172.446 174.900 -0.491 0.000 1.311 9 G CA -0.455 44.339 45.100 -0.510 0.000 0.813 9 G HN -0.144 nan 8.290 nan 0.000 0.480 10 Y N -0.779 119.547 120.300 0.044 0.000 2.512 10 Y HA 0.611 5.163 4.550 0.003 0.000 0.348 10 Y C 0.850 176.814 175.900 0.106 0.000 0.990 10 Y CA -0.897 57.245 58.100 0.069 0.000 1.033 10 Y CB 2.475 40.974 38.460 0.065 0.000 1.259 10 Y HN 0.588 nan 8.280 nan 0.000 0.461 11 T N 1.087 115.836 114.554 0.325 0.000 2.906 11 T HA -0.047 4.305 4.350 0.002 0.000 0.320 11 T C 0.665 175.529 174.700 0.272 0.000 1.088 11 T CA 0.104 62.365 62.100 0.268 0.000 1.120 11 T CB 0.200 69.250 68.868 0.305 0.000 1.000 11 T HN 0.854 nan 8.240 nan 0.000 0.550 12 D N 2.781 123.285 120.400 0.173 0.000 2.369 12 D HA 0.053 4.694 4.640 0.002 0.000 0.211 12 D C 0.349 176.688 176.300 0.065 0.000 1.077 12 D CA 0.000 54.081 54.000 0.134 0.000 0.842 12 D CB 0.237 41.089 40.800 0.087 0.000 0.947 12 D HN 0.452 nan 8.370 nan 0.000 0.509 13 R N 0.617 121.132 120.500 0.025 0.000 2.637 13 R HA 0.523 4.864 4.340 0.002 0.000 0.291 13 R C 0.127 176.170 176.300 -0.428 0.000 0.963 13 R CA -0.943 55.076 56.100 -0.135 0.000 0.901 13 R CB 2.054 32.300 30.300 -0.091 0.000 1.160 13 R HN -0.026 nan 8.270 nan 0.000 0.457 14 I N 2.858 122.978 120.570 -0.751 0.000 2.648 14 I HA -0.012 4.159 4.170 0.002 0.000 0.284 14 I C 0.119 175.748 176.117 -0.814 0.000 1.153 14 I CA -0.257 60.170 61.300 -1.456 0.000 1.426 14 I CB 0.459 37.871 38.000 -0.979 0.000 1.381 14 I HN 0.308 nan 8.210 nan 0.000 0.571 15 L N 7.009 127.783 121.223 -0.747 0.000 2.313 15 L HA 0.357 4.698 4.340 0.002 0.000 0.283 15 L C 0.009 176.859 176.870 -0.033 0.000 1.013 15 L CA -0.317 54.432 54.840 -0.153 0.000 0.816 15 L CB 1.039 43.119 42.059 0.034 0.000 1.236 15 L HN 0.455 nan 8.230 nan 0.000 0.419 16 H N 6.670 125.771 119.070 0.052 0.000 2.886 16 H HA 0.195 4.752 4.556 0.003 0.000 0.329 16 H C -1.925 173.383 175.328 -0.033 0.000 1.044 16 H CA -1.496 54.557 56.048 0.008 0.000 1.456 16 H CB 1.566 31.332 29.762 0.007 0.000 1.464 16 H HN 0.524 nan 8.280 nan 0.000 0.573 17 P HA -0.167 nan 4.420 nan 0.000 0.220 17 P C 1.103 178.453 177.300 0.083 0.000 1.144 17 P CA 1.631 64.730 63.100 -0.002 0.000 0.800 17 P CB 0.068 31.706 31.700 -0.102 0.000 0.772 18 K N -1.144 119.366 120.400 0.182 0.000 2.504 18 K HA -0.025 4.297 4.320 0.002 0.000 0.195 18 K C 1.018 177.397 176.600 -0.368 0.000 1.036 18 K CA 0.989 57.137 56.287 -0.232 0.000 0.984 18 K CB -0.730 31.425 32.500 -0.574 0.000 0.788 18 K HN 0.180 nan 8.250 nan 0.000 0.488 19 F N 1.179 121.173 119.950 0.075 0.000 2.678 19 F HA 0.360 4.889 4.527 0.003 0.000 0.305 19 F C 0.635 176.473 175.800 0.063 0.000 1.090 19 F CA -0.814 57.215 58.000 0.048 0.000 1.272 19 F CB 0.529 39.553 39.000 0.041 0.000 1.060 19 F HN -0.162 nan 8.300 nan 0.000 0.576 20 I N 1.119 121.800 120.570 0.185 0.000 2.336 20 I HA 0.142 4.314 4.170 0.002 0.000 0.292 20 I C 0.952 177.162 176.117 0.155 0.000 0.991 20 I CA -0.536 60.862 61.300 0.162 0.000 1.227 20 I CB 1.844 39.873 38.000 0.049 0.000 1.366 20 I HN -0.130 nan 8.210 nan 0.000 0.466 21 V N 2.071 122.103 119.914 0.196 0.000 3.643 21 V HA 0.705 4.826 4.120 0.002 0.000 0.280 21 V C 0.567 176.782 176.094 0.202 0.000 1.351 21 V CA 0.477 62.876 62.300 0.165 0.000 1.073 21 V CB -0.193 31.713 31.823 0.137 0.000 0.863 21 V HN 0.926 nan 8.190 nan 0.000 0.436 22 G N 0.558 109.540 108.800 0.304 0.000 2.317 22 G HA2 0.507 4.469 3.960 0.002 0.000 0.293 22 G HA3 0.507 4.469 3.960 0.002 0.000 0.293 22 G C -1.472 173.709 174.900 0.469 0.000 1.287 22 G CA -0.162 45.134 45.100 0.327 0.000 0.850 22 G HN 1.064 nan 8.290 nan 0.000 0.515 23 F N -2.140 117.933 119.950 0.204 0.000 2.713 23 F HA 0.872 5.400 4.527 0.002 0.000 0.311 23 F C -0.684 175.121 175.800 0.008 0.000 1.141 23 F CA -1.070 56.888 58.000 -0.069 0.000 0.939 23 F CB 1.558 40.450 39.000 -0.179 0.000 1.325 23 F HN 0.561 nan 8.300 nan 0.000 0.453 24 T N 1.588 116.154 114.554 0.021 0.000 2.863 24 T HA 0.492 4.844 4.350 0.002 0.000 0.285 24 T C -0.800 173.976 174.700 0.126 0.000 1.009 24 T CA -0.787 61.360 62.100 0.077 0.000 0.989 24 T CB 1.279 70.250 68.868 0.172 0.000 1.004 24 T HN 0.439 nan 8.240 nan 0.000 0.455 25 R N 2.886 123.452 120.500 0.109 0.000 2.202 25 R HA 0.263 4.604 4.340 0.002 0.000 0.334 25 R C -0.098 176.226 176.300 0.040 0.000 1.036 25 R CA -0.348 55.811 56.100 0.099 0.000 0.878 25 R CB 0.807 31.173 30.300 0.109 0.000 1.067 25 R HN 0.638 nan 8.270 nan 0.000 0.457 26 Q N 4.309 124.119 119.800 0.017 0.000 2.314 26 Q HA 0.397 4.738 4.340 0.002 0.000 0.259 26 Q C -0.942 175.065 176.000 0.013 0.000 0.951 26 Q CA -0.491 55.322 55.803 0.017 0.000 0.909 26 Q CB 0.962 29.711 28.738 0.018 0.000 1.236 26 Q HN 0.484 nan 8.270 nan 0.000 0.444 27 L N 2.337 123.568 121.223 0.013 0.000 2.331 27 L HA 0.649 4.990 4.340 0.002 0.000 0.275 27 L C -0.130 176.747 176.870 0.011 0.000 1.022 27 L CA -1.119 53.727 54.840 0.010 0.000 0.812 27 L CB 1.753 43.817 42.059 0.008 0.000 1.257 27 L HN 0.729 nan 8.230 nan 0.000 0.435 28 A N 2.796 125.623 122.820 0.012 0.000 2.475 28 A HA 0.413 4.735 4.320 0.002 0.000 0.293 28 A C -0.263 177.325 177.584 0.007 0.000 1.252 28 A CA -0.101 51.943 52.037 0.011 0.000 0.920 28 A CB -0.970 18.038 19.000 0.013 0.000 1.125 28 A HN 0.866 nan 8.150 nan 0.000 0.528 29 N N 0.870 119.573 118.700 0.005 0.000 3.588 29 N HA 0.112 4.853 4.740 0.002 0.000 0.340 29 N C 0.223 175.734 175.510 0.003 0.000 1.609 29 N CA -0.244 52.808 53.050 0.004 0.000 0.811 29 N CB -0.100 38.389 38.487 0.004 0.000 2.184 29 N HN 0.231 nan 8.380 nan 0.000 0.577 30 E N -0.640 119.561 120.200 0.002 0.000 2.204 30 E HA 0.017 4.369 4.350 0.002 0.000 0.195 30 E C 1.471 178.072 176.600 0.001 0.000 0.990 30 E CA 1.337 57.738 56.400 0.001 0.000 0.821 30 E CB -0.370 29.330 29.700 0.001 0.000 0.750 30 E HN 0.658 nan 8.360 nan 0.000 0.477 31 G N 0.306 109.107 108.800 0.002 0.000 2.395 31 G HA2 -0.104 3.858 3.960 0.002 0.000 0.214 31 G HA3 -0.104 3.858 3.960 0.002 0.000 0.214 31 G C 0.504 175.405 174.900 0.002 0.000 1.177 31 G CA 0.350 45.452 45.100 0.003 0.000 0.794 31 G HN 0.236 nan 8.290 nan 0.000 0.532 32 c N 0.172 118.773 118.600 0.002 0.000 2.634 32 c HA 0.500 5.071 4.570 0.002 0.000 0.313 32 c C 0.426 174.515 174.090 -0.001 0.000 1.198 32 c CA -0.813 55.516 56.329 -0.000 0.000 1.605 32 c CB 2.103 44.615 42.510 0.003 0.000 2.196 32 c HN 0.399 nan 8.230 nan 0.000 0.486 33 D N 0.883 121.279 120.400 -0.006 0.000 2.323 33 D HA 0.090 4.731 4.640 0.002 0.000 0.209 33 D C 0.487 176.787 176.300 -0.000 0.000 0.973 33 D CA 0.995 54.992 54.000 -0.005 0.000 0.874 33 D CB 0.302 41.095 40.800 -0.012 0.000 0.930 33 D HN 0.719 nan 8.370 nan 0.000 0.521 34 I N -2.712 117.859 120.570 0.002 0.000 2.934 34 I HA 0.399 4.570 4.170 0.002 0.000 0.306 34 I C -0.511 175.637 176.117 0.051 0.000 1.110 34 I CA -1.111 60.205 61.300 0.026 0.000 1.019 34 I CB 1.989 39.994 38.000 0.008 0.000 1.227 34 I HN -0.398 nan 8.210 nan 0.000 0.434 35 N N 2.689 121.436 118.700 0.079 0.000 2.530 35 N HA 0.629 5.370 4.740 0.002 0.000 0.273 35 N C -0.598 174.990 175.510 0.131 0.000 1.173 35 N CA 0.001 53.090 53.050 0.065 0.000 0.967 35 N CB 1.688 40.192 38.487 0.027 0.000 1.109 35 N HN 0.870 nan 8.380 nan 0.000 0.453 36 A N 1.586 124.446 122.820 0.067 0.000 2.604 36 A HA 0.495 4.817 4.320 0.002 0.000 0.295 36 A C -1.134 176.397 177.584 -0.087 0.000 1.067 36 A CA -0.677 51.407 52.037 0.079 0.000 0.683 36 A CB 1.098 20.212 19.000 0.191 0.000 1.281 36 A HN 0.422 nan 8.150 nan 0.000 0.407 37 I N 1.804 122.231 120.570 -0.238 0.000 2.342 37 I HA 0.309 4.480 4.170 0.002 0.000 0.291 37 I C -0.275 175.585 176.117 -0.429 0.000 1.010 37 I CA -0.243 60.797 61.300 -0.433 0.000 1.308 37 I CB 0.665 38.172 38.000 -0.822 0.000 1.400 37 I HN 0.448 nan 8.210 nan 0.000 0.488 38 I N 6.904 127.278 120.570 -0.327 0.000 2.307 38 I HA 0.258 4.430 4.170 0.002 0.000 0.287 38 I C -0.100 175.761 176.117 -0.427 0.000 1.054 38 I CA -0.376 60.757 61.300 -0.278 0.000 1.218 38 I CB 0.203 38.113 38.000 -0.150 0.000 1.398 38 I HN 0.281 nan 8.210 nan 0.000 0.475 39 F N 4.657 124.535 119.950 -0.120 0.000 2.429 39 F HA 0.224 4.752 4.527 0.001 0.000 0.348 39 F C 0.960 176.656 175.800 -0.173 0.000 1.109 39 F CA -0.114 57.829 58.000 -0.095 0.000 1.232 39 F CB 0.474 39.514 39.000 0.067 0.000 1.157 39 F HN 0.406 nan 8.300 nan 0.000 0.564 40 H N 0.797 120.078 119.070 0.353 0.000 2.459 40 H HA 0.309 4.866 4.556 0.002 0.000 0.332 40 H C 0.042 175.493 175.328 0.205 0.000 1.094 40 H CA -0.653 55.525 56.048 0.217 0.000 1.224 40 H CB 1.558 31.409 29.762 0.148 0.000 1.449 40 H HN 0.613 nan 8.280 nan 0.000 0.484 41 T N -1.274 113.448 114.554 0.281 0.000 2.948 41 T HA 0.197 4.548 4.350 0.002 0.000 0.285 41 T C 1.353 176.157 174.700 0.174 0.000 1.019 41 T CA -0.998 61.233 62.100 0.218 0.000 1.013 41 T CB 2.238 71.209 68.868 0.172 0.000 1.117 41 T HN 0.336 nan 8.240 nan 0.000 0.533 42 K N 0.914 121.416 120.400 0.169 0.000 2.152 42 K HA -0.094 4.228 4.320 0.002 0.000 0.206 42 K C 1.877 178.534 176.600 0.094 0.000 1.048 42 K CA 1.817 58.182 56.287 0.131 0.000 0.933 42 K CB -0.439 32.149 32.500 0.146 0.000 0.721 42 K HN 0.788 nan 8.250 nan 0.000 0.447 43 K N 0.352 120.802 120.400 0.083 0.000 2.505 43 K HA 0.081 4.402 4.320 0.002 0.000 0.192 43 K C -0.282 176.350 176.600 0.052 0.000 1.025 43 K CA 0.246 56.562 56.287 0.049 0.000 1.086 43 K CB 0.106 32.615 32.500 0.016 0.000 0.840 43 K HN 0.026 nan 8.250 nan 0.000 0.514 44 K N -0.363 120.083 120.400 0.076 0.000 3.339 44 K HA -0.165 4.157 4.320 0.002 0.000 0.299 44 K C -0.519 176.135 176.600 0.090 0.000 1.270 44 K CA 0.543 56.876 56.287 0.077 0.000 0.875 44 K CB -1.885 30.641 32.500 0.043 0.000 1.298 44 K HN 0.289 nan 8.250 nan 0.000 0.485 45 L N 1.287 122.568 121.223 0.098 0.000 2.371 45 L HA 0.197 4.538 4.340 0.002 0.000 0.272 45 L C 0.108 177.077 176.870 0.165 0.000 1.124 45 L CA 0.502 55.404 54.840 0.104 0.000 0.816 45 L CB 1.624 43.726 42.059 0.073 0.000 1.129 45 L HN 0.058 nan 8.230 nan 0.000 0.448 46 S N 2.985 118.784 115.700 0.164 0.000 2.489 46 S HA 0.669 5.141 4.470 0.002 0.000 0.291 46 S C -0.857 173.831 174.600 0.146 0.000 1.151 46 S CA -0.575 57.739 58.200 0.190 0.000 1.082 46 S CB 1.395 64.714 63.200 0.199 0.000 1.019 46 S HN 0.405 nan 8.310 nan 0.000 0.492 47 V N 3.013 123.025 119.914 0.164 0.000 2.380 47 V HA 0.231 4.352 4.120 0.002 0.000 0.286 47 V C -0.120 176.089 176.094 0.192 0.000 1.015 47 V CA -0.950 61.470 62.300 0.200 0.000 0.834 47 V CB 0.863 32.852 31.823 0.277 0.000 1.009 47 V HN 1.006 nan 8.190 nan 0.000 0.428 48 c N 4.517 123.205 118.600 0.147 0.000 2.634 48 c HA 0.650 5.222 4.570 0.002 0.000 0.418 48 c C 0.951 175.180 174.090 0.233 0.000 1.373 48 c CA 0.103 56.514 56.329 0.138 0.000 1.756 48 c CB -0.688 41.895 42.510 0.122 0.000 2.589 48 c HN 1.022 nan 8.230 nan 0.000 0.602 49 A N 3.367 126.268 122.820 0.135 0.000 2.515 49 A HA 0.617 4.938 4.320 0.002 0.000 0.298 49 A C -0.536 176.843 177.584 -0.341 0.000 1.059 49 A CA -0.512 51.544 52.037 0.032 0.000 0.698 49 A CB 0.738 19.709 19.000 -0.049 0.000 1.289 49 A HN 0.767 nan 8.150 nan 0.000 0.404 50 N N 1.752 120.045 118.700 -0.677 0.000 2.416 50 N HA 0.226 4.967 4.740 0.002 0.000 0.265 50 N C -1.927 173.194 175.510 -0.648 0.000 1.195 50 N CA -1.759 50.608 53.050 -1.139 0.000 0.943 50 N CB 1.099 39.019 38.487 -0.944 0.000 1.115 50 N HN 0.186 nan 8.380 nan 0.000 0.481 51 P HA -0.061 nan 4.420 nan 0.000 0.228 51 P C 0.430 177.553 177.300 -0.296 0.000 1.151 51 P CA 1.216 64.095 63.100 -0.368 0.000 0.770 51 P CB 0.329 31.876 31.700 -0.256 0.000 0.786 52 K N -1.095 119.134 120.400 -0.284 0.000 2.400 52 K HA 0.058 4.380 4.320 0.002 0.000 0.194 52 K C 0.798 177.289 176.600 -0.182 0.000 1.033 52 K CA 0.181 56.354 56.287 -0.191 0.000 1.021 52 K CB 0.099 32.512 32.500 -0.144 0.000 0.808 52 K HN 0.363 nan 8.250 nan 0.000 0.505 53 Q N 0.163 119.807 119.800 -0.260 0.000 2.299 53 Q HA 0.060 4.402 4.340 0.002 0.000 0.246 53 Q C 0.780 176.664 176.000 -0.193 0.000 0.935 53 Q CA -0.087 55.600 55.803 -0.194 0.000 0.887 53 Q CB 1.238 29.849 28.738 -0.213 0.000 1.223 53 Q HN -0.012 nan 8.270 nan 0.000 0.439 54 T N 1.646 116.175 114.554 -0.042 0.000 2.777 54 T HA -0.143 4.208 4.350 0.002 0.000 0.266 54 T C 1.410 176.150 174.700 0.067 0.000 1.040 54 T CA 1.440 63.543 62.100 0.004 0.000 1.141 54 T CB -0.179 68.713 68.868 0.040 0.000 0.868 54 T HN 0.787 nan 8.240 nan 0.000 0.444 55 W N 1.825 123.145 121.300 0.034 0.000 2.342 55 W HA -0.095 4.566 4.660 0.002 0.000 0.297 55 W C 1.448 178.032 176.519 0.108 0.000 1.213 55 W CA 0.416 57.807 57.345 0.078 0.000 1.251 55 W CB -1.436 28.045 29.460 0.035 0.000 1.136 55 W HN 0.071 nan 8.180 nan 0.000 0.526 56 V N 2.440 121.930 119.914 -0.707 0.000 2.261 56 V HA -0.316 3.806 4.120 0.002 0.000 0.246 56 V C 2.706 178.666 176.094 -0.223 0.000 1.047 56 V CA 2.744 64.655 62.300 -0.648 0.000 1.015 56 V CB -0.962 30.356 31.823 -0.842 0.000 0.642 56 V HN 0.073 nan 8.190 nan 0.000 0.446 57 K N -0.750 119.535 120.400 -0.192 0.000 2.057 57 K HA -0.230 4.091 4.320 0.002 0.000 0.207 57 K C 2.209 178.797 176.600 -0.021 0.000 1.049 57 K CA 2.028 58.245 56.287 -0.117 0.000 0.931 57 K CB -0.494 31.959 32.500 -0.079 0.000 0.714 57 K HN 0.537 nan 8.250 nan 0.000 0.440 58 Y N 1.667 121.929 120.300 -0.064 0.000 2.165 58 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 58 Y C 1.737 177.628 175.900 -0.015 0.000 1.155 58 Y CA 1.325 59.412 58.100 -0.022 0.000 1.164 58 Y CB -0.181 38.286 38.460 0.011 0.000 0.978 58 Y HN -0.037 nan 8.280 nan 0.000 0.513 59 I N -1.318 119.148 120.570 -0.173 0.000 2.353 59 I HA -0.247 3.925 4.170 0.002 0.000 0.248 59 I C 2.272 178.297 176.117 -0.154 0.000 1.119 59 I CA 0.889 62.023 61.300 -0.278 0.000 1.417 59 I CB -0.481 37.393 38.000 -0.210 0.000 1.078 59 I HN 0.075 nan 8.210 nan 0.000 0.421 60 V N 1.417 121.260 119.914 -0.118 0.000 2.282 60 V HA -0.316 3.805 4.120 0.002 0.000 0.249 60 V C 2.607 178.623 176.094 -0.130 0.000 1.057 60 V CA 1.971 64.107 62.300 -0.273 0.000 1.032 60 V CB -0.769 30.738 31.823 -0.527 0.000 0.645 60 V HN 0.417 nan 8.190 nan 0.000 0.447 61 R N -0.326 120.101 120.500 -0.121 0.000 2.091 61 R HA -0.146 4.195 4.340 0.002 0.000 0.238 61 R C 2.290 178.539 176.300 -0.084 0.000 1.136 61 R CA 1.521 57.579 56.100 -0.070 0.000 0.959 61 R CB -0.618 29.658 30.300 -0.040 0.000 0.856 61 R HN 0.418 nan 8.270 nan 0.000 0.437 62 L N 0.769 121.872 121.223 -0.200 0.000 2.079 62 L HA -0.183 4.158 4.340 0.002 0.000 0.210 62 L C 2.380 179.223 176.870 -0.044 0.000 1.081 62 L CA 1.201 55.938 54.840 -0.171 0.000 0.752 62 L CB -0.382 41.491 42.059 -0.310 0.000 0.896 62 L HN 0.189 nan 8.230 nan 0.000 0.433 63 L N -1.270 119.965 121.223 0.019 0.000 2.291 63 L HA -0.077 4.265 4.340 0.002 0.000 0.214 63 L C 2.017 178.973 176.870 0.143 0.000 1.120 63 L CA 0.467 55.383 54.840 0.127 0.000 0.799 63 L CB -0.192 42.041 42.059 0.290 0.000 0.925 63 L HN 0.101 nan 8.230 nan 0.000 0.446 64 S N -0.349 115.430 115.700 0.130 0.000 2.710 64 S HA 0.117 4.588 4.470 0.002 0.000 0.224 64 S C 0.248 174.887 174.600 0.065 0.000 0.948 64 S CA 0.155 58.431 58.200 0.125 0.000 0.949 64 S CB -0.226 63.051 63.200 0.129 0.000 0.778 64 S HN 0.361 nan 8.310 nan 0.000 0.498 65 K N 0.000 120.428 120.400 0.047 0.000 2.780 65 K HA 0.000 4.321 4.320 0.002 0.000 0.191 65 K CA 0.000 56.305 56.287 0.030 0.000 0.838 65 K CB 0.000 32.511 32.500 0.019 0.000 1.064 65 K HN 0.000 nan 8.250 nan 0.000 0.543