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_A 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 0.000 176.306 176.300 0.010 0.000 2.045 5 D CA 0.000 54.004 54.000 0.007 0.000 0.868 5 D CB 0.000 40.802 40.800 0.004 0.000 0.688 6 c N 1.266 119.871 118.600 0.007 0.000 2.330 6 c HA 0.532 5.103 4.570 0.001 0.000 0.344 6 c C 0.936 175.032 174.090 0.010 0.000 1.273 6 c CA -0.781 55.554 56.329 0.009 0.000 1.879 6 c CB -0.071 42.441 42.510 0.002 0.000 2.376 6 c HN 0.512 nan 8.230 nan 0.000 0.534 7 c N 3.838 122.451 118.600 0.022 0.000 2.590 7 c HA 0.025 4.596 4.570 0.001 0.000 0.411 7 c C 1.707 175.776 174.090 -0.036 0.000 1.420 7 c CA 0.127 56.465 56.329 0.014 0.000 1.643 7 c CB -1.241 41.305 42.510 0.060 0.000 2.528 7 c HN 0.848 nan 8.230 nan 0.000 0.606 8 L N 2.907 124.095 121.223 -0.059 0.000 2.585 8 L HA 0.321 4.662 4.340 0.001 0.000 0.226 8 L C 1.332 178.095 176.870 -0.178 0.000 1.113 8 L CA 0.521 55.306 54.840 -0.091 0.000 0.876 8 L CB -0.432 41.593 42.059 -0.056 0.000 1.072 8 L HN 0.936 nan 8.230 nan 0.000 0.468 9 G N -1.549 107.109 108.800 -0.235 0.000 2.490 9 G HA2 0.395 4.356 3.960 0.001 0.000 0.308 9 G HA3 0.395 4.356 3.960 0.001 0.000 0.308 9 G C -2.068 172.608 174.900 -0.373 0.000 1.286 9 G CA -0.515 44.333 45.100 -0.420 0.000 0.825 9 G HN -0.152 nan 8.290 nan 0.000 0.479 10 Y N -0.651 119.675 120.300 0.042 0.000 2.485 10 Y HA 0.609 5.160 4.550 0.002 0.000 0.345 10 Y C 0.898 176.836 175.900 0.065 0.000 0.998 10 Y CA -0.878 57.256 58.100 0.057 0.000 1.059 10 Y CB 2.444 40.940 38.460 0.060 0.000 1.234 10 Y HN 0.538 nan 8.280 nan 0.000 0.461 11 T N 1.380 116.090 114.554 0.260 0.000 2.932 11 T HA -0.019 4.332 4.350 0.001 0.000 0.312 11 T C 0.303 175.105 174.700 0.169 0.000 1.071 11 T CA 0.049 62.258 62.100 0.183 0.000 1.128 11 T CB 0.075 69.052 68.868 0.182 0.000 0.984 11 T HN 0.831 nan 8.240 nan 0.000 0.549 12 D N 3.145 123.618 120.400 0.122 0.000 2.571 12 D HA 0.114 4.755 4.640 0.001 0.000 0.239 12 D C 0.391 176.735 176.300 0.074 0.000 1.267 12 D CA -0.379 53.679 54.000 0.096 0.000 0.823 12 D CB 0.158 41.005 40.800 0.078 0.000 1.056 12 D HN 0.376 nan 8.370 nan 0.000 0.494 13 R N 0.289 120.843 120.500 0.090 0.000 2.532 13 R HA 0.495 4.835 4.340 0.001 0.000 0.272 13 R C 0.510 176.862 176.300 0.088 0.000 1.032 13 R CA -0.939 55.209 56.100 0.079 0.000 1.089 13 R CB 1.613 31.966 30.300 0.088 0.000 1.098 13 R HN 0.045 nan 8.270 nan 0.000 0.526 14 I N 2.320 122.932 120.570 0.070 0.000 2.710 14 I HA -0.076 4.095 4.170 0.001 0.000 0.286 14 I C 0.239 176.441 176.117 0.142 0.000 1.181 14 I CA 0.360 61.698 61.300 0.063 0.000 1.430 14 I CB 0.334 38.354 38.000 0.032 0.000 1.367 14 I HN 0.233 nan 8.210 nan 0.000 0.577 15 L N 6.838 128.173 121.223 0.187 0.000 2.270 15 L HA 0.244 4.585 4.340 0.001 0.000 0.286 15 L C -0.021 177.027 176.870 0.298 0.000 1.059 15 L CA -0.411 54.568 54.840 0.232 0.000 0.839 15 L CB 0.109 42.300 42.059 0.219 0.000 1.221 15 L HN 0.516 nan 8.230 nan 0.000 0.431 16 H N 5.637 124.791 119.070 0.139 0.000 2.594 16 H HA 0.255 4.811 4.556 0.001 0.000 0.304 16 H C -1.992 173.311 175.328 -0.043 0.000 1.068 16 H CA -2.385 53.703 56.048 0.067 0.000 1.308 16 H CB 1.781 31.517 29.762 -0.042 0.000 1.409 16 H HN 0.296 nan 8.280 nan 0.000 0.460 17 P HA -0.222 nan 4.420 nan 0.000 0.216 17 P C 1.516 178.829 177.300 0.021 0.000 1.154 17 P CA 1.821 64.950 63.100 0.048 0.000 0.865 17 P CB 0.238 31.939 31.700 0.002 0.000 0.789 18 K N -1.009 119.393 120.400 0.003 0.000 2.281 18 K HA -0.140 4.181 4.320 0.001 0.000 0.203 18 K C 1.033 177.467 176.600 -0.276 0.000 1.046 18 K CA 1.520 57.622 56.287 -0.309 0.000 0.938 18 K CB -0.634 31.451 32.500 -0.692 0.000 0.737 18 K HN 0.104 nan 8.250 nan 0.000 0.458 19 F N 1.218 121.103 119.950 -0.109 0.000 2.749 19 F HA 0.358 4.886 4.527 0.001 0.000 0.300 19 F C 0.809 176.592 175.800 -0.029 0.000 1.103 19 F CA -0.666 57.292 58.000 -0.070 0.000 1.342 19 F CB 0.201 39.166 39.000 -0.058 0.000 1.098 19 F HN -0.161 nan 8.300 nan 0.000 0.586 20 I N 1.151 121.782 120.570 0.103 0.000 2.315 20 I HA 0.127 4.297 4.170 0.001 0.000 0.291 20 I C 1.069 177.194 176.117 0.012 0.000 1.006 20 I CA -0.385 60.935 61.300 0.033 0.000 1.265 20 I CB 1.535 39.468 38.000 -0.113 0.000 1.387 20 I HN -0.144 nan 8.210 nan 0.000 0.475 21 V N 2.375 122.301 119.914 0.019 0.000 3.605 21 V HA 0.659 4.780 4.120 0.001 0.000 0.284 21 V C 0.591 176.677 176.094 -0.013 0.000 1.386 21 V CA 0.433 62.749 62.300 0.026 0.000 1.053 21 V CB -0.100 31.773 31.823 0.083 0.000 0.857 21 V HN 0.845 nan 8.190 nan 0.000 0.436 22 G N 0.472 109.161 108.800 -0.185 0.000 2.428 22 G HA2 0.606 4.567 3.960 0.001 0.000 0.304 22 G HA3 0.606 4.567 3.960 0.001 0.000 0.304 22 G C -1.581 173.166 174.900 -0.255 0.000 1.303 22 G CA -0.164 44.838 45.100 -0.163 0.000 0.825 22 G HN 0.912 nan 8.290 nan 0.000 0.484 23 F N -1.921 117.912 119.950 -0.194 0.000 2.713 23 F HA 0.865 5.392 4.527 0.001 0.000 0.311 23 F C -0.706 175.122 175.800 0.046 0.000 1.141 23 F CA -1.034 56.890 58.000 -0.126 0.000 0.939 23 F CB 1.570 40.442 39.000 -0.214 0.000 1.325 23 F HN 0.572 nan 8.300 nan 0.000 0.453 24 T N 1.151 115.739 114.554 0.057 0.000 2.912 24 T HA 0.512 4.862 4.350 0.001 0.000 0.288 24 T C -1.276 173.495 174.700 0.118 0.000 1.030 24 T CA -0.793 61.299 62.100 -0.012 0.000 1.020 24 T CB 1.795 70.681 68.868 0.030 0.000 1.056 24 T HN 0.768 nan 8.240 nan 0.000 0.480 25 R N 2.175 122.723 120.500 0.080 0.000 2.288 25 R HA 0.309 4.649 4.340 0.001 0.000 0.326 25 R C -0.567 175.763 176.300 0.050 0.000 0.959 25 R CA -0.499 55.659 56.100 0.097 0.000 0.834 25 R CB 0.757 31.130 30.300 0.122 0.000 1.157 25 R HN 0.619 nan 8.270 nan 0.000 0.470 26 Q N 6.073 125.902 119.800 0.048 0.000 2.303 26 Q HA 0.297 4.638 4.340 0.001 0.000 0.257 26 Q C -1.175 174.853 176.000 0.046 0.000 0.941 26 Q CA -0.496 55.333 55.803 0.044 0.000 0.931 26 Q CB 1.012 29.781 28.738 0.052 0.000 1.215 26 Q HN 0.558 nan 8.270 nan 0.000 0.437 27 L N 3.152 124.396 121.223 0.036 0.000 2.325 27 L HA 0.469 4.810 4.340 0.001 0.000 0.278 27 L C 0.802 177.691 176.870 0.031 0.000 1.023 27 L CA -0.605 54.255 54.840 0.034 0.000 0.811 27 L CB 1.549 43.624 42.059 0.026 0.000 1.249 27 L HN 0.859 nan 8.230 nan 0.000 0.431 28 A N 2.247 125.087 122.820 0.034 0.000 2.239 28 A HA -0.097 4.224 4.320 0.001 0.000 0.209 28 A C 1.135 178.731 177.584 0.020 0.000 1.171 28 A CA 0.990 53.044 52.037 0.029 0.000 0.768 28 A CB -0.870 18.150 19.000 0.033 0.000 0.790 28 A HN 0.948 nan 8.150 nan 0.000 0.478 29 N N -1.736 116.975 118.700 0.018 0.000 2.235 29 N HA 0.131 4.872 4.740 0.001 0.000 0.231 29 N C 0.047 175.564 175.510 0.011 0.000 1.177 29 N CA -0.104 52.955 53.050 0.013 0.000 0.874 29 N CB 0.332 38.827 38.487 0.013 0.000 1.097 29 N HN 0.420 nan 8.380 nan 0.000 0.518 30 E N 0.033 120.240 120.200 0.012 0.000 2.651 30 E HA 0.214 4.565 4.350 0.001 0.000 0.208 30 E C 0.597 177.201 176.600 0.007 0.000 0.997 30 E CA -0.124 56.282 56.400 0.009 0.000 1.020 30 E CB 0.989 30.695 29.700 0.009 0.000 1.052 30 E HN 0.560 nan 8.360 nan 0.000 0.465 31 G N 0.178 108.982 108.800 0.008 0.000 3.288 31 G HA2 -0.186 3.775 3.960 0.001 0.000 0.195 31 G HA3 -0.186 3.775 3.960 0.001 0.000 0.195 31 G C 0.389 175.292 174.900 0.005 0.000 1.093 31 G CA -0.396 44.707 45.100 0.005 0.000 0.852 31 G HN 0.303 nan 8.290 nan 0.000 0.453 32 c N 1.731 120.336 118.600 0.008 0.000 2.362 32 c HA 0.619 5.190 4.570 0.001 0.000 0.363 32 c C 1.206 175.300 174.090 0.008 0.000 1.220 32 c CA -0.188 56.146 56.329 0.007 0.000 2.379 32 c CB 1.236 43.753 42.510 0.013 0.000 2.351 32 c HN 0.504 nan 8.230 nan 0.000 0.582 33 D N 0.386 120.787 120.400 0.001 0.000 2.350 33 D HA 0.124 4.764 4.640 0.001 0.000 0.213 33 D C 0.312 176.616 176.300 0.007 0.000 1.031 33 D CA 0.843 54.844 54.000 0.001 0.000 0.861 33 D CB 0.378 41.173 40.800 -0.007 0.000 0.926 33 D HN 0.644 nan 8.370 nan 0.000 0.520 34 I N -2.480 118.098 120.570 0.013 0.000 2.969 34 I HA 0.390 4.561 4.170 0.001 0.000 0.307 34 I C -0.756 175.409 176.117 0.082 0.000 1.149 34 I CA -1.083 60.241 61.300 0.040 0.000 1.008 34 I CB 2.078 40.079 38.000 0.002 0.000 1.232 34 I HN -0.391 nan 8.210 nan 0.000 0.435 35 N N 2.421 121.195 118.700 0.124 0.000 2.503 35 N HA 0.700 5.440 4.740 0.001 0.000 0.267 35 N C -0.630 175.004 175.510 0.207 0.000 1.214 35 N CA -0.120 53.002 53.050 0.121 0.000 0.959 35 N CB 1.746 40.285 38.487 0.086 0.000 1.142 35 N HN 0.879 nan 8.380 nan 0.000 0.455 36 A N 1.177 124.082 122.820 0.141 0.000 2.604 36 A HA 0.519 4.840 4.320 0.001 0.000 0.295 36 A C -1.354 176.241 177.584 0.019 0.000 1.067 36 A CA -0.632 51.501 52.037 0.161 0.000 0.683 36 A CB 1.160 20.309 19.000 0.249 0.000 1.281 36 A HN 0.435 nan 8.150 nan 0.000 0.407 37 I N 2.025 122.542 120.570 -0.088 0.000 2.321 37 I HA 0.342 4.513 4.170 0.001 0.000 0.291 37 I C -0.518 175.439 176.117 -0.268 0.000 0.998 37 I CA -0.328 60.827 61.300 -0.241 0.000 1.227 37 I CB 0.955 38.654 38.000 -0.503 0.000 1.368 37 I HN 0.486 nan 8.210 nan 0.000 0.466 38 I N 7.082 127.565 120.570 -0.144 0.000 2.307 38 I HA 0.259 4.430 4.170 0.001 0.000 0.287 38 I C -0.066 176.040 176.117 -0.018 0.000 1.054 38 I CA -0.360 60.923 61.300 -0.027 0.000 1.218 38 I CB 0.256 38.301 38.000 0.075 0.000 1.398 38 I HN 0.271 nan 8.210 nan 0.000 0.475 39 F N 5.563 125.603 119.950 0.150 0.000 2.410 39 F HA 0.301 4.828 4.527 -0.000 0.000 0.334 39 F C 1.081 176.940 175.800 0.098 0.000 1.134 39 F CA -0.044 58.004 58.000 0.080 0.000 1.227 39 F CB 0.566 39.598 39.000 0.054 0.000 1.194 39 F HN 0.483 nan 8.300 nan 0.000 0.571 40 H N -1.225 118.034 119.070 0.315 0.000 2.946 40 H HA 0.515 5.072 4.556 0.001 0.000 0.365 40 H C -0.858 174.567 175.328 0.162 0.000 1.197 40 H CA -1.056 55.104 56.048 0.188 0.000 1.131 40 H CB 1.192 31.024 29.762 0.116 0.000 1.849 40 H HN 0.580 nan 8.280 nan 0.000 0.555 41 T N -1.622 113.085 114.554 0.255 0.000 2.910 41 T HA 0.228 4.578 4.350 0.001 0.000 0.279 41 T C 1.175 175.974 174.700 0.165 0.000 0.989 41 T CA -1.043 61.158 62.100 0.168 0.000 0.968 41 T CB 1.703 70.628 68.868 0.095 0.000 1.135 41 T HN 0.568 nan 8.240 nan 0.000 0.562 42 K N 0.337 120.803 120.400 0.109 0.000 2.103 42 K HA -0.106 4.214 4.320 0.001 0.000 0.207 42 K C 1.805 178.439 176.600 0.056 0.000 1.048 42 K CA 1.344 57.681 56.287 0.083 0.000 0.930 42 K CB -0.254 32.282 32.500 0.059 0.000 0.716 42 K HN 0.476 nan 8.250 nan 0.000 0.444 43 K N 0.793 121.215 120.400 0.037 0.000 2.486 43 K HA 0.042 4.362 4.320 0.001 0.000 0.194 43 K C 0.184 176.800 176.600 0.026 0.000 1.033 43 K CA 0.218 56.514 56.287 0.015 0.000 1.004 43 K CB 0.088 32.580 32.500 -0.013 0.000 0.798 43 K HN 0.082 nan 8.250 nan 0.000 0.495 44 K N -0.036 120.400 120.400 0.060 0.000 3.230 44 K HA -0.188 4.133 4.320 0.001 0.000 0.285 44 K C -0.851 175.784 176.600 0.058 0.000 1.196 44 K CA 0.174 56.490 56.287 0.049 0.000 0.838 44 K CB -1.571 30.921 32.500 -0.014 0.000 1.262 44 K HN 0.039 nan 8.250 nan 0.000 0.492 45 L N 1.371 122.637 121.223 0.072 0.000 2.360 45 L HA 0.118 4.458 4.340 0.001 0.000 0.276 45 L C 0.559 177.510 176.870 0.135 0.000 1.121 45 L CA 0.780 55.665 54.840 0.074 0.000 0.845 45 L CB 1.490 43.575 42.059 0.044 0.000 1.143 45 L HN 0.025 nan 8.230 nan 0.000 0.452 46 S N 2.440 118.218 115.700 0.130 0.000 2.509 46 S HA 0.783 5.254 4.470 0.001 0.000 0.297 46 S C -0.670 174.027 174.600 0.161 0.000 1.118 46 S CA -0.615 57.689 58.200 0.174 0.000 1.074 46 S CB 1.914 65.197 63.200 0.138 0.000 1.038 46 S HN 0.276 nan 8.310 nan 0.000 0.498 47 V N 1.987 122.023 119.914 0.204 0.000 2.577 47 V HA 0.301 4.421 4.120 0.001 0.000 0.303 47 V C -0.361 175.855 176.094 0.204 0.000 1.042 47 V CA -0.920 61.503 62.300 0.205 0.000 0.872 47 V CB 1.405 33.378 31.823 0.250 0.000 0.998 47 V HN 1.029 nan 8.190 nan 0.000 0.423 48 c N 4.549 123.256 118.600 0.178 0.000 2.576 48 c HA 0.757 5.328 4.570 0.001 0.000 0.401 48 c C 0.871 175.111 174.090 0.250 0.000 1.314 48 c CA -0.220 56.224 56.329 0.192 0.000 1.855 48 c CB -0.525 42.096 42.510 0.185 0.000 2.537 48 c HN 1.017 nan 8.230 nan 0.000 0.578 49 A N 3.357 126.289 122.820 0.186 0.000 2.413 49 A HA 0.640 4.960 4.320 0.001 0.000 0.307 49 A C -0.388 177.043 177.584 -0.255 0.000 1.087 49 A CA -0.498 51.599 52.037 0.100 0.000 0.750 49 A CB 0.699 19.818 19.000 0.198 0.000 1.296 49 A HN 0.776 nan 8.150 nan 0.000 0.423 50 N N 1.615 119.956 118.700 -0.599 0.000 2.405 50 N HA 0.208 4.948 4.740 0.001 0.000 0.260 50 N C -1.947 173.272 175.510 -0.485 0.000 1.152 50 N CA -1.742 50.610 53.050 -1.162 0.000 0.948 50 N CB 1.090 39.069 38.487 -0.846 0.000 1.111 50 N HN 0.171 nan 8.380 nan 0.000 0.485 51 P HA -0.071 nan 4.420 nan 0.000 0.221 51 P C 0.449 177.676 177.300 -0.120 0.000 1.145 51 P CA 1.288 64.278 63.100 -0.183 0.000 0.795 51 P CB 0.340 31.970 31.700 -0.117 0.000 0.775 52 K N -1.095 119.231 120.400 -0.123 0.000 2.426 52 K HA 0.044 4.365 4.320 0.001 0.000 0.193 52 K C 0.676 177.256 176.600 -0.033 0.000 1.028 52 K CA 0.160 56.412 56.287 -0.058 0.000 1.047 52 K CB 0.013 32.491 32.500 -0.036 0.000 0.821 52 K HN 0.354 nan 8.250 nan 0.000 0.513 53 Q N 0.254 120.029 119.800 -0.042 0.000 2.288 53 Q HA 0.052 4.393 4.340 0.001 0.000 0.254 53 Q C 0.751 176.789 176.000 0.064 0.000 0.932 53 Q CA -0.127 55.691 55.803 0.023 0.000 0.902 53 Q CB 1.261 30.031 28.738 0.054 0.000 1.203 53 Q HN 0.018 nan 8.270 nan 0.000 0.415 54 T N 1.992 116.596 114.554 0.084 0.000 2.699 54 T HA -0.234 4.117 4.350 0.001 0.000 0.268 54 T C 0.992 175.808 174.700 0.195 0.000 1.036 54 T CA 1.322 63.487 62.100 0.109 0.000 1.147 54 T CB -0.155 68.769 68.868 0.094 0.000 0.862 54 T HN 0.682 nan 8.240 nan 0.000 0.446 55 W N 1.346 122.655 121.300 0.014 0.000 2.374 55 W HA -0.145 4.516 4.660 0.000 0.000 0.288 55 W C 1.896 178.484 176.519 0.114 0.000 1.218 55 W CA 0.547 57.924 57.345 0.054 0.000 1.245 55 W CB -0.145 29.321 29.460 0.011 0.000 1.126 55 W HN 0.079 nan 8.180 nan 0.000 0.545 56 V N 1.245 121.252 119.914 0.155 0.000 2.358 56 V HA -0.305 3.816 4.120 0.001 0.000 0.246 56 V C 2.272 178.385 176.094 0.032 0.000 1.047 56 V CA 2.059 64.445 62.300 0.143 0.000 1.035 56 V CB -0.820 31.088 31.823 0.143 0.000 0.658 56 V HN 0.078 nan 8.190 nan 0.000 0.452 57 K N -0.815 119.581 120.400 -0.006 0.000 2.097 57 K HA -0.208 4.112 4.320 0.001 0.000 0.206 57 K C 2.208 178.759 176.600 -0.082 0.000 1.049 57 K CA 1.834 58.086 56.287 -0.058 0.000 0.933 57 K CB -0.382 32.105 32.500 -0.023 0.000 0.717 57 K HN 0.558 nan 8.250 nan 0.000 0.442 58 Y N 1.808 121.972 120.300 -0.227 0.000 2.181 58 Y HA -0.182 4.368 4.550 -0.001 0.000 0.288 58 Y C 1.792 177.453 175.900 -0.399 0.000 1.146 58 Y CA 1.282 59.189 58.100 -0.322 0.000 1.164 58 Y CB -0.218 37.969 38.460 -0.455 0.000 0.982 58 Y HN -0.075 nan 8.280 nan 0.000 0.515 59 I N -1.188 119.019 120.570 -0.605 0.000 2.394 59 I HA -0.255 3.915 4.170 0.001 0.000 0.251 59 I C 2.262 178.141 176.117 -0.396 0.000 1.136 59 I CA 0.879 61.771 61.300 -0.679 0.000 1.425 59 I CB -0.426 37.127 38.000 -0.746 0.000 1.079 59 I HN 0.083 nan 8.210 nan 0.000 0.425 60 V N 0.673 120.425 119.914 -0.271 0.000 2.343 60 V HA -0.256 3.865 4.120 0.001 0.000 0.247 60 V C 2.618 178.558 176.094 -0.257 0.000 1.051 60 V CA 1.740 63.829 62.300 -0.353 0.000 1.036 60 V CB -0.657 30.827 31.823 -0.564 0.000 0.654 60 V HN 0.357 nan 8.190 nan 0.000 0.451 61 R N -0.512 119.838 120.500 -0.251 0.000 2.103 61 R HA -0.170 4.171 4.340 0.001 0.000 0.242 61 R C 2.235 178.391 176.300 -0.241 0.000 1.142 61 R CA 1.584 57.562 56.100 -0.203 0.000 0.960 61 R CB -0.453 29.741 30.300 -0.176 0.000 0.858 61 R HN 0.445 nan 8.270 nan 0.000 0.439 62 L N 0.379 121.367 121.223 -0.392 0.000 2.141 62 L HA -0.149 4.192 4.340 0.001 0.000 0.209 62 L C 2.283 179.040 176.870 -0.188 0.000 1.094 62 L CA 0.845 55.472 54.840 -0.355 0.000 0.763 62 L CB -0.244 41.495 42.059 -0.533 0.000 0.908 62 L HN 0.211 nan 8.230 nan 0.000 0.437 63 L N -1.077 120.066 121.223 -0.133 0.000 2.217 63 L HA -0.099 4.241 4.340 0.001 0.000 0.211 63 L C 2.054 178.935 176.870 0.018 0.000 1.107 63 L CA 0.711 55.540 54.840 -0.018 0.000 0.783 63 L CB -0.188 41.931 42.059 0.101 0.000 0.919 63 L HN 0.141 nan 8.230 nan 0.000 0.442 64 S N -1.098 114.605 115.700 0.005 0.000 2.605 64 S HA 0.125 4.595 4.470 0.001 0.000 0.217 64 S C 0.499 175.096 174.600 -0.004 0.000 0.958 64 S CA 0.107 58.322 58.200 0.025 0.000 0.919 64 S CB 0.058 63.277 63.200 0.031 0.000 0.780 64 S HN 0.270 nan 8.310 nan 0.000 0.507 65 K N 0.000 120.385 120.400 -0.026 0.000 2.780 65 K HA 0.000 4.321 4.320 0.001 0.000 0.191 65 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 65 K CB 0.000 32.470 32.500 -0.051 0.000 1.064 65 K HN 0.000 nan 8.250 nan 0.000 0.543