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 1m5q_1_A DATA FIRST_RESID 12 DATA SEQUENCE FVAELNNLLG REVQVVLSNG EVYKGVLHAV DNQLNIVLAN ASNKAGEKFN DATA SEQUENCE RVFIXYRYIV HIDSTERRID XREFAKQAEK IFPGXVKYIE ETNVVLIGDK DATA SEQUENCE VRVSEIGVEG VGPVAERAKR LFEEFL 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 12 F HA 0.000 nan 4.527 nan 0.000 0.279 12 F C 0.000 175.803 175.800 0.005 0.000 0.967 12 F CA 0.000 58.003 58.000 0.005 0.000 1.383 12 F CB 0.000 39.008 39.000 0.014 0.000 1.145 13 V N 0.734 120.704 119.914 0.094 0.000 2.407 13 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 13 V C 2.600 178.748 176.094 0.090 0.000 1.055 13 V CA 2.592 64.942 62.300 0.082 0.000 1.049 13 V CB -0.676 31.146 31.823 -0.003 0.000 0.662 13 V HN 0.637 nan 8.190 nan 0.000 0.455 14 A N -0.096 122.768 122.820 0.075 0.000 1.898 14 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 14 A C 2.122 179.748 177.584 0.071 0.000 1.181 14 A CA 1.731 53.801 52.037 0.056 0.000 0.620 14 A CB -0.445 18.575 19.000 0.033 0.000 0.819 14 A HN 0.536 nan 8.150 nan 0.000 0.442 15 E N 0.297 120.558 120.200 0.103 0.000 2.077 15 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 15 E C 1.890 178.532 176.600 0.069 0.000 0.989 15 E CA 1.078 57.527 56.400 0.082 0.000 0.800 15 E CB -0.369 29.383 29.700 0.087 0.000 0.746 15 E HN 0.607 nan 8.360 nan 0.000 0.452 16 L N 0.597 121.883 121.223 0.105 0.000 2.083 16 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 16 L C 1.789 178.697 176.870 0.064 0.000 1.083 16 L CA 1.040 55.930 54.840 0.082 0.000 0.752 16 L CB -0.382 41.758 42.059 0.136 0.000 0.899 16 L HN 0.164 nan 8.230 nan 0.000 0.433 17 N N 0.022 118.760 118.700 0.064 0.000 2.289 17 N HA -0.217 4.523 4.740 -0.000 0.000 0.184 17 N C 1.601 177.136 175.510 0.041 0.000 1.016 17 N CA 0.941 54.018 53.050 0.046 0.000 0.872 17 N CB -0.225 38.287 38.487 0.040 0.000 0.973 17 N HN 0.302 nan 8.380 nan 0.000 0.433 18 N N 0.276 119.002 118.700 0.043 0.000 2.459 18 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 18 N C 0.663 176.196 175.510 0.038 0.000 1.046 18 N CA 0.495 53.571 53.050 0.042 0.000 0.904 18 N CB 0.135 38.647 38.487 0.043 0.000 0.964 18 N HN 0.275 nan 8.380 nan 0.000 0.444 19 L N 1.071 122.314 121.223 0.034 0.000 2.607 19 L HA 0.249 4.589 4.340 -0.000 0.000 0.228 19 L C 0.369 177.259 176.870 0.033 0.000 1.123 19 L CA -0.230 54.627 54.840 0.028 0.000 0.890 19 L CB 0.103 42.174 42.059 0.019 0.000 1.103 19 L HN 0.093 nan 8.230 nan 0.000 0.468 20 L N 0.839 122.081 121.223 0.033 0.000 2.525 20 L HA 0.031 4.371 4.340 -0.000 0.000 0.278 20 L C 1.477 178.368 176.870 0.036 0.000 1.218 20 L CA 0.977 55.834 54.840 0.029 0.000 0.878 20 L CB 0.152 42.219 42.059 0.014 0.000 1.127 20 L HN 0.430 nan 8.230 nan 0.000 0.492 21 G N 1.973 110.802 108.800 0.049 0.000 2.179 21 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 21 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 21 G C 0.287 175.214 174.900 0.045 0.000 0.977 21 G CA -0.249 44.884 45.100 0.055 0.000 0.641 21 G HN 0.484 nan 8.290 nan 0.000 0.533 22 R N 0.606 121.130 120.500 0.040 0.000 2.720 22 R HA 0.583 4.923 4.340 -0.000 0.000 0.272 22 R C 0.113 176.432 176.300 0.031 0.000 0.991 22 R CA -0.993 55.126 56.100 0.031 0.000 1.010 22 R CB 0.860 31.174 30.300 0.024 0.000 1.141 22 R HN 0.503 nan 8.270 nan 0.000 0.494 23 E N 1.405 121.620 120.200 0.025 0.000 2.338 23 E HA 0.300 4.650 4.350 -0.000 0.000 0.272 23 E C -0.461 176.153 176.600 0.022 0.000 1.029 23 E CA -0.478 55.938 56.400 0.025 0.000 0.872 23 E CB 0.821 30.533 29.700 0.020 0.000 1.015 23 E HN 0.395 nan 8.360 nan 0.000 0.417 24 V N 0.808 120.738 119.914 0.027 0.000 3.165 24 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 24 V C -1.182 174.930 176.094 0.030 0.000 1.267 24 V CA -1.069 61.245 62.300 0.023 0.000 1.067 24 V CB 1.644 33.479 31.823 0.021 0.000 1.082 24 V HN 0.806 nan 8.190 nan 0.000 0.451 25 Q N 0.496 120.312 119.800 0.025 0.000 2.340 25 Q HA 0.773 5.113 4.340 -0.000 0.000 0.268 25 Q C -2.058 173.949 176.000 0.012 0.000 1.031 25 Q CA -0.687 55.132 55.803 0.026 0.000 0.804 25 Q CB 2.411 31.161 28.738 0.020 0.000 1.286 25 Q HN 0.817 nan 8.270 nan 0.000 0.448 26 V N 3.929 123.857 119.914 0.024 0.000 2.444 26 V HA 0.390 4.510 4.120 -0.000 0.000 0.294 26 V C -0.482 175.592 176.094 -0.033 0.000 1.022 26 V CA -0.827 61.471 62.300 -0.003 0.000 0.850 26 V CB 1.643 33.496 31.823 0.050 0.000 0.992 26 V HN 0.655 nan 8.190 nan 0.000 0.426 27 V N 6.586 126.381 119.914 -0.199 0.000 2.383 27 V HA 0.433 4.553 4.120 -0.000 0.000 0.275 27 V C 0.092 176.128 176.094 -0.097 0.000 1.036 27 V CA -0.280 61.887 62.300 -0.222 0.000 0.889 27 V CB 1.336 32.800 31.823 -0.598 0.000 0.985 27 V HN 0.624 nan 8.190 nan 0.000 0.459 28 L N 3.835 125.068 121.223 0.017 0.000 2.344 28 L HA 0.410 4.750 4.340 -0.000 0.000 0.272 28 L C 1.485 178.408 176.870 0.088 0.000 1.035 28 L CA -0.403 54.486 54.840 0.081 0.000 0.807 28 L CB 1.834 43.965 42.059 0.120 0.000 1.237 28 L HN 0.751 nan 8.230 nan 0.000 0.442 29 S N -0.552 115.232 115.700 0.140 0.000 2.515 29 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 29 S C 1.103 175.779 174.600 0.126 0.000 0.987 29 S CA 0.650 58.930 58.200 0.133 0.000 0.936 29 S CB -0.524 62.762 63.200 0.143 0.000 0.766 29 S HN 0.842 nan 8.310 nan 0.000 0.528 30 N N 1.306 120.075 118.700 0.116 0.000 2.449 30 N HA 0.212 4.952 4.740 -0.000 0.000 0.191 30 N C 1.253 176.792 175.510 0.048 0.000 1.161 30 N CA 0.708 53.797 53.050 0.065 0.000 0.863 30 N CB -0.460 38.033 38.487 0.012 0.000 0.980 30 N HN 0.568 nan 8.380 nan 0.000 0.458 31 G N -0.495 108.337 108.800 0.053 0.000 2.234 31 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.235 31 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.235 31 G C -0.247 174.664 174.900 0.019 0.000 0.997 31 G CA 0.038 45.159 45.100 0.034 0.000 0.623 31 G HN 0.479 nan 8.290 nan 0.000 0.514 32 E N -0.099 120.122 120.200 0.036 0.000 2.390 32 E HA 0.478 4.828 4.350 -0.000 0.000 0.261 32 E C -0.375 176.228 176.600 0.004 0.000 1.076 32 E CA -0.018 56.389 56.400 0.012 0.000 0.905 32 E CB 1.898 31.676 29.700 0.130 0.000 0.984 32 E HN 0.165 nan 8.360 nan 0.000 0.427 33 V N 3.340 123.181 119.914 -0.122 0.000 2.482 33 V HA 0.213 4.333 4.120 -0.000 0.000 0.295 33 V C -1.300 174.643 176.094 -0.252 0.000 1.026 33 V CA -0.745 61.497 62.300 -0.096 0.000 0.856 33 V CB 0.542 32.316 31.823 -0.080 0.000 1.001 33 V HN 0.551 nan 8.190 nan 0.000 0.424 34 Y N 3.113 123.402 120.300 -0.018 0.000 2.342 34 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 34 Y C 0.308 176.206 175.900 -0.003 0.000 1.067 34 Y CA -0.427 57.672 58.100 -0.003 0.000 1.128 34 Y CB 1.889 40.341 38.460 -0.015 0.000 1.200 34 Y HN 0.464 nan 8.280 nan 0.000 0.464 35 K N 2.030 122.490 120.400 0.100 0.000 2.376 35 K HA 0.766 5.086 4.320 -0.000 0.000 0.257 35 K C -0.584 176.067 176.600 0.086 0.000 0.939 35 K CA -0.415 55.913 56.287 0.068 0.000 0.809 35 K CB 1.314 33.827 32.500 0.022 0.000 1.121 35 K HN 0.909 nan 8.250 nan 0.000 0.425 36 G N 0.996 109.838 108.800 0.070 0.000 2.488 36 G HA2 0.270 4.230 3.960 -0.000 0.000 0.301 36 G HA3 0.270 4.230 3.960 -0.000 0.000 0.301 36 G C -1.571 173.355 174.900 0.043 0.000 1.339 36 G CA -0.706 44.428 45.100 0.056 0.000 0.803 36 G HN 0.360 nan 8.290 nan 0.000 0.482 37 V N 1.248 121.185 119.914 0.038 0.000 2.530 37 V HA 0.276 4.396 4.120 -0.000 0.000 0.282 37 V C 0.840 176.974 176.094 0.067 0.000 1.048 37 V CA -0.499 61.830 62.300 0.048 0.000 0.997 37 V CB 1.363 33.217 31.823 0.051 0.000 0.987 37 V HN 0.588 nan 8.190 nan 0.000 0.477 38 L N 4.607 125.870 121.223 0.066 0.000 2.456 38 L HA 0.129 4.469 4.340 -0.000 0.000 0.277 38 L C 1.135 178.070 176.870 0.107 0.000 1.124 38 L CA 0.043 54.927 54.840 0.074 0.000 0.880 38 L CB 0.311 42.402 42.059 0.053 0.000 1.192 38 L HN 0.865 nan 8.230 nan 0.000 0.463 39 H N 4.074 123.147 119.070 0.005 0.000 2.476 39 H HA 0.397 4.953 4.556 -0.000 0.000 0.292 39 H C -0.082 175.263 175.328 0.028 0.000 1.019 39 H CA 0.847 56.900 56.048 0.009 0.000 1.330 39 H CB 0.633 30.385 29.762 -0.017 0.000 1.451 39 H HN 0.623 nan 8.280 nan 0.000 0.535 40 A N 0.150 122.971 122.820 0.002 0.000 2.589 40 A HA 0.586 4.906 4.320 -0.000 0.000 0.296 40 A C -1.770 175.840 177.584 0.044 0.000 1.062 40 A CA -0.149 51.871 52.037 -0.028 0.000 0.686 40 A CB 1.397 20.397 19.000 0.001 0.000 1.282 40 A HN 0.242 nan 8.150 nan 0.000 0.404 41 V N 2.478 122.414 119.914 0.037 0.000 2.733 41 V HA 0.714 4.834 4.120 -0.000 0.000 0.306 41 V C -1.741 174.378 176.094 0.041 0.000 1.084 41 V CA -0.362 61.974 62.300 0.059 0.000 0.905 41 V CB 1.967 33.834 31.823 0.073 0.000 1.010 41 V HN 1.242 nan 8.190 nan 0.000 0.424 42 D N 3.962 124.385 120.400 0.038 0.000 2.506 42 D HA 0.399 5.039 4.640 -0.000 0.000 0.254 42 D C 0.589 176.875 176.300 -0.023 0.000 1.089 42 D CA -0.682 53.325 54.000 0.011 0.000 1.050 42 D CB 0.739 41.550 40.800 0.017 0.000 1.221 42 D HN 0.292 nan 8.370 nan 0.000 0.589 43 N N -0.522 118.152 118.700 -0.044 0.000 2.258 43 N HA -0.154 4.586 4.740 -0.000 0.000 0.187 43 N C 1.010 176.432 175.510 -0.147 0.000 1.012 43 N CA 1.071 54.074 53.050 -0.079 0.000 0.870 43 N CB -0.205 38.239 38.487 -0.072 0.000 0.977 43 N HN 0.524 nan 8.380 nan 0.000 0.434 44 Q N 0.057 119.744 119.800 -0.187 0.000 2.320 44 Q HA 0.279 4.619 4.340 -0.000 0.000 0.201 44 Q C -0.035 175.741 176.000 -0.372 0.000 0.910 44 Q CA -0.172 55.394 55.803 -0.395 0.000 0.946 44 Q CB 0.378 28.810 28.738 -0.509 0.000 1.062 44 Q HN 0.230 nan 8.270 nan 0.000 0.503 45 L N 0.836 121.978 121.223 -0.135 0.000 3.898 45 L HA -0.238 4.102 4.340 -0.000 0.000 0.407 45 L C -0.576 176.371 176.870 0.129 0.000 1.207 45 L CA -0.244 54.599 54.840 0.005 0.000 0.931 45 L CB -1.672 40.385 42.059 -0.004 0.000 2.014 45 L HN 0.362 nan 8.230 nan 0.000 0.858 46 N N 1.017 119.798 118.700 0.135 0.000 2.503 46 N HA 0.531 5.271 4.740 -0.000 0.000 0.267 46 N C -0.016 175.582 175.510 0.148 0.000 1.214 46 N CA -0.011 53.161 53.050 0.203 0.000 0.959 46 N CB 1.407 40.011 38.487 0.194 0.000 1.142 46 N HN 0.078 nan 8.380 nan 0.000 0.455 47 I N 1.425 122.079 120.570 0.141 0.000 2.647 47 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 47 I C -0.399 175.772 176.117 0.090 0.000 1.078 47 I CA -0.723 60.642 61.300 0.108 0.000 1.048 47 I CB 1.877 39.932 38.000 0.092 0.000 1.239 47 I HN 0.030 nan 8.210 nan 0.000 0.421 48 V N 6.329 126.294 119.914 0.085 0.000 2.495 48 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 48 V C -0.059 176.039 176.094 0.006 0.000 1.031 48 V CA -0.602 61.711 62.300 0.022 0.000 0.871 48 V CB 2.418 34.330 31.823 0.149 0.000 0.988 48 V HN 0.435 nan 8.190 nan 0.000 0.432 49 L N 3.548 124.702 121.223 -0.116 0.000 2.342 49 L HA 0.891 5.231 4.340 -0.000 0.000 0.271 49 L C 0.098 176.885 176.870 -0.139 0.000 1.008 49 L CA -0.689 54.115 54.840 -0.061 0.000 0.818 49 L CB 2.068 44.103 42.059 -0.040 0.000 1.296 49 L HN 0.734 nan 8.230 nan 0.000 0.427 50 A N 1.617 124.386 122.820 -0.084 0.000 2.337 50 A HA 0.550 4.870 4.320 -0.000 0.000 0.329 50 A C -0.044 177.510 177.584 -0.050 0.000 1.146 50 A CA -0.541 51.412 52.037 -0.141 0.000 0.800 50 A CB 0.600 19.506 19.000 -0.157 0.000 1.220 50 A HN 0.858 nan 8.150 nan 0.000 0.472 51 N N -0.840 117.835 118.700 -0.042 0.000 2.705 51 N HA -0.179 4.561 4.740 -0.000 0.000 0.255 51 N C 0.038 175.572 175.510 0.039 0.000 1.008 51 N CA 1.176 54.226 53.050 -0.000 0.000 0.742 51 N CB -1.426 37.057 38.487 -0.007 0.000 0.906 51 N HN 1.158 nan 8.380 nan 0.000 0.541 52 A N -0.129 122.745 122.820 0.090 0.000 2.256 52 A HA 0.858 5.178 4.320 -0.000 0.000 0.318 52 A C 0.557 178.276 177.584 0.225 0.000 1.103 52 A CA 0.220 52.350 52.037 0.155 0.000 0.860 52 A CB 1.195 20.309 19.000 0.190 0.000 1.182 52 A HN 0.694 nan 8.150 nan 0.000 0.501 53 S N -0.172 115.654 115.700 0.210 0.000 2.550 53 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 53 S C -0.803 173.781 174.600 -0.026 0.000 1.145 53 S CA -0.802 57.485 58.200 0.144 0.000 0.852 53 S CB 1.231 64.451 63.200 0.033 0.000 1.119 53 S HN 1.127 nan 8.310 nan 0.000 0.465 54 N N 0.774 119.367 118.700 -0.178 0.000 2.604 54 N HA 0.477 5.217 4.740 -0.000 0.000 0.297 54 N C 0.427 175.799 175.510 -0.230 0.000 1.266 54 N CA -0.971 51.776 53.050 -0.506 0.000 0.961 54 N CB 0.211 38.250 38.487 -0.747 0.000 1.166 54 N HN 0.424 nan 8.380 nan 0.000 0.601 55 K N -0.755 119.516 120.400 -0.215 0.000 2.362 55 K HA 0.059 4.379 4.320 -0.000 0.000 0.200 55 K C 1.024 177.577 176.600 -0.079 0.000 1.046 55 K CA 0.869 57.086 56.287 -0.117 0.000 0.952 55 K CB -0.675 31.768 32.500 -0.096 0.000 0.753 55 K HN 0.702 nan 8.250 nan 0.000 0.466 56 A N 0.109 122.883 122.820 -0.077 0.000 2.278 56 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 56 A C 1.392 178.953 177.584 -0.037 0.000 1.213 56 A CA 0.861 52.873 52.037 -0.041 0.000 0.840 56 A CB -0.340 18.648 19.000 -0.019 0.000 0.866 56 A HN 0.347 nan 8.150 nan 0.000 0.489 57 G N -0.578 108.193 108.800 -0.049 0.000 2.179 57 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 57 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 57 G C -0.017 174.848 174.900 -0.058 0.000 0.977 57 G CA 0.384 45.456 45.100 -0.047 0.000 0.641 57 G HN 0.638 nan 8.290 nan 0.000 0.533 58 E N 1.047 121.221 120.200 -0.044 0.000 2.366 58 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 58 E C 0.334 176.815 176.600 -0.199 0.000 1.015 58 E CA 0.253 56.581 56.400 -0.120 0.000 0.906 58 E CB 0.561 30.255 29.700 -0.009 0.000 0.979 58 E HN 0.319 nan 8.360 nan 0.000 0.443 59 K N 2.905 123.071 120.400 -0.390 0.000 2.159 59 K HA 0.434 4.754 4.320 -0.000 0.000 0.266 59 K C -0.926 175.294 176.600 -0.634 0.000 0.975 59 K CA -0.455 55.638 56.287 -0.324 0.000 0.865 59 K CB 0.926 33.318 32.500 -0.181 0.000 1.087 59 K HN 0.303 nan 8.250 nan 0.000 0.446 60 F N 1.001 120.964 119.950 0.021 0.000 2.556 60 F HA 0.217 4.744 4.527 -0.000 0.000 0.314 60 F C 1.375 177.146 175.800 -0.049 0.000 1.106 60 F CA -0.894 57.101 58.000 -0.008 0.000 0.911 60 F CB 1.432 40.425 39.000 -0.012 0.000 1.190 60 F HN 0.571 nan 8.300 nan 0.000 0.448 61 N N 1.365 120.120 118.700 0.092 0.000 2.120 61 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 61 N C -0.010 175.460 175.510 -0.067 0.000 1.024 61 N CA 1.153 54.206 53.050 0.004 0.000 0.852 61 N CB 0.279 38.769 38.487 0.005 0.000 1.003 61 N HN 0.408 nan 8.380 nan 0.000 0.424 62 R N 0.264 120.715 120.500 -0.083 0.000 2.673 62 R HA 0.433 4.773 4.340 -0.000 0.000 0.281 62 R C -1.397 174.633 176.300 -0.449 0.000 0.991 62 R CA -0.635 55.248 56.100 -0.363 0.000 0.896 62 R CB 2.289 32.246 30.300 -0.572 0.000 1.201 62 R HN -0.166 nan 8.270 nan 0.000 0.457 63 V N 3.938 123.493 119.914 -0.597 0.000 2.447 63 V HA 0.431 4.551 4.120 -0.000 0.000 0.292 63 V C -0.895 174.855 176.094 -0.574 0.000 1.021 63 V CA -0.704 61.261 62.300 -0.559 0.000 0.850 63 V CB 1.379 32.897 31.823 -0.507 0.000 1.005 63 V HN 0.537 nan 8.190 nan 0.000 0.426 64 F N 5.611 125.467 119.950 -0.155 0.000 2.350 64 F HA 0.571 5.098 4.527 -0.000 0.000 0.365 64 F C 0.519 176.253 175.800 -0.111 0.000 1.122 64 F CA -0.215 57.733 58.000 -0.086 0.000 1.139 64 F CB 0.569 39.534 39.000 -0.059 0.000 1.220 64 F HN 0.270 nan 8.300 nan 0.000 0.499 68 R N 0.239 120.335 120.500 -0.673 0.000 2.241 68 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 68 R C 0.352 176.325 176.300 -0.545 0.000 1.101 68 R CA 2.039 57.777 56.100 -0.604 0.000 0.995 68 R CB -0.312 29.526 30.300 -0.770 0.000 0.870 68 R HN 0.510 nan 8.270 nan 0.000 0.463 69 Y N -0.269 119.974 120.300 -0.094 0.000 2.485 69 Y HA 0.266 4.816 4.550 -0.000 0.000 0.260 69 Y C 0.414 176.316 175.900 0.003 0.000 1.173 69 Y CA -0.358 57.719 58.100 -0.038 0.000 1.252 69 Y CB 0.603 39.034 38.460 -0.047 0.000 1.123 69 Y HN -0.117 nan 8.280 nan 0.000 0.524 70 I N 0.426 121.058 120.570 0.104 0.000 2.312 70 I HA 0.066 4.236 4.170 -0.000 0.000 0.291 70 I C 0.675 176.854 176.117 0.104 0.000 1.031 70 I CA -0.212 61.153 61.300 0.109 0.000 1.293 70 I CB 1.316 39.401 38.000 0.142 0.000 1.403 70 I HN -0.032 nan 8.210 nan 0.000 0.484 71 V N 5.519 125.479 119.914 0.077 0.000 2.331 71 V HA -0.028 4.091 4.120 -0.000 0.000 0.242 71 V C 0.568 176.792 176.094 0.217 0.000 1.034 71 V CA 1.076 63.452 62.300 0.128 0.000 1.027 71 V CB -0.626 31.277 31.823 0.134 0.000 0.667 71 V HN 0.853 nan 8.190 nan 0.000 0.457 72 H N -1.910 117.210 119.070 0.084 0.000 3.014 72 H HA 0.619 5.175 4.556 -0.000 0.000 0.337 72 H C -1.689 173.654 175.328 0.025 0.000 1.320 72 H CA -1.172 54.907 56.048 0.051 0.000 1.128 72 H CB 1.829 31.601 29.762 0.018 0.000 1.862 72 H HN 0.161 nan 8.280 nan 0.000 0.536 73 I N 1.880 122.493 120.570 0.072 0.000 2.498 73 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 73 I C -1.114 175.017 176.117 0.024 0.000 1.032 73 I CA -0.642 60.660 61.300 0.004 0.000 1.073 73 I CB 2.089 40.073 38.000 -0.027 0.000 1.251 73 I HN 0.460 nan 8.210 nan 0.000 0.426 74 D N 3.932 124.358 120.400 0.043 0.000 2.457 74 D HA 0.486 5.126 4.640 -0.000 0.000 0.240 74 D C -0.952 175.351 176.300 0.005 0.000 1.041 74 D CA -0.460 53.563 54.000 0.037 0.000 0.861 74 D CB 2.468 43.323 40.800 0.091 0.000 1.394 74 D HN 0.335 nan 8.370 nan 0.000 0.473 75 S N -0.695 114.998 115.700 -0.011 0.000 2.571 75 S HA 0.402 4.872 4.470 -0.000 0.000 0.284 75 S C 0.449 175.040 174.600 -0.016 0.000 1.128 75 S CA -0.578 57.614 58.200 -0.013 0.000 0.970 75 S CB 1.189 64.374 63.200 -0.023 0.000 1.039 75 S HN 0.439 nan 8.310 nan 0.000 0.485 76 T N 0.723 115.271 114.554 -0.010 0.000 3.086 76 T HA 0.334 4.684 4.350 -0.000 0.000 0.250 76 T C 0.183 174.872 174.700 -0.019 0.000 1.074 76 T CA -0.092 62.000 62.100 -0.014 0.000 0.988 76 T CB -0.218 68.645 68.868 -0.009 0.000 0.988 76 T HN 0.651 nan 8.240 nan 0.000 0.530 77 E N 2.116 122.305 120.200 -0.018 0.000 2.277 77 E HA 0.409 4.759 4.350 -0.000 0.000 0.274 77 E C -0.294 176.288 176.600 -0.031 0.000 1.022 77 E CA -0.932 55.456 56.400 -0.020 0.000 0.853 77 E CB 1.058 30.752 29.700 -0.011 0.000 1.086 77 E HN 0.479 nan 8.360 nan 0.000 0.397 78 R N 2.476 122.953 120.500 -0.039 0.000 2.265 78 R HA 0.496 4.836 4.340 -0.000 0.000 0.319 78 R C -0.239 176.032 176.300 -0.048 0.000 1.006 78 R CA -0.750 55.315 56.100 -0.059 0.000 0.880 78 R CB 1.175 31.426 30.300 -0.082 0.000 1.077 78 R HN 0.294 nan 8.270 nan 0.000 0.454 79 R N 3.620 124.093 120.500 -0.044 0.000 2.513 79 R HA 0.349 4.689 4.340 -0.000 0.000 0.301 79 R C -0.372 175.923 176.300 -0.009 0.000 0.968 79 R CA -0.954 55.137 56.100 -0.015 0.000 0.872 79 R CB 2.159 32.462 30.300 0.005 0.000 1.177 79 R HN 0.609 nan 8.270 nan 0.000 0.444 80 I N 2.617 123.199 120.570 0.021 0.000 2.587 80 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 80 I C 0.767 176.989 176.117 0.174 0.000 1.134 80 I CA 0.652 62.007 61.300 0.092 0.000 1.410 80 I CB 0.142 38.233 38.000 0.152 0.000 1.392 80 I HN 0.416 nan 8.210 nan 0.000 0.545 84 E N 1.203 121.393 120.200 -0.017 0.000 2.031 84 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 84 E C 1.386 177.982 176.600 -0.007 0.000 0.994 84 E CA 1.727 58.175 56.400 0.081 0.000 0.800 84 E CB -0.104 29.759 29.700 0.271 0.000 0.752 84 E HN 0.211 nan 8.360 nan 0.000 0.447 85 F N 0.960 120.695 119.950 -0.358 0.000 2.120 85 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 85 F C 1.963 177.619 175.800 -0.241 0.000 1.095 85 F CA 1.748 59.329 58.000 -0.698 0.000 1.249 85 F CB -0.678 37.724 39.000 -0.997 0.000 0.995 85 F HN 0.129 nan 8.300 nan 0.000 0.480 86 A N 0.298 123.012 122.820 -0.176 0.000 1.908 86 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 86 A C 2.268 179.740 177.584 -0.186 0.000 1.181 86 A CA 1.995 53.936 52.037 -0.160 0.000 0.627 86 A CB -0.740 18.267 19.000 0.012 0.000 0.818 86 A HN 0.487 nan 8.150 nan 0.000 0.445 87 K N -0.611 119.707 120.400 -0.137 0.000 2.032 87 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 87 K C 2.365 178.891 176.600 -0.123 0.000 1.048 87 K CA 1.856 58.088 56.287 -0.092 0.000 0.927 87 K CB -0.223 32.248 32.500 -0.048 0.000 0.712 87 K HN 0.632 nan 8.250 nan 0.000 0.441 88 Q N -0.025 119.666 119.800 -0.181 0.000 2.079 88 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 88 Q C 2.183 178.034 176.000 -0.248 0.000 0.974 88 Q CA 1.357 57.049 55.803 -0.184 0.000 0.840 88 Q CB -0.147 28.499 28.738 -0.153 0.000 0.898 88 Q HN 0.350 nan 8.270 nan 0.000 0.430 89 A N 1.034 123.597 122.820 -0.428 0.000 1.972 89 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 89 A C 1.917 179.490 177.584 -0.019 0.000 1.169 89 A CA 1.703 53.583 52.037 -0.263 0.000 0.635 89 A CB -0.404 18.330 19.000 -0.443 0.000 0.810 89 A HN 0.306 nan 8.150 nan 0.000 0.446 90 E N 0.305 120.464 120.200 -0.068 0.000 2.150 90 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 90 E C 1.780 178.361 176.600 -0.032 0.000 0.985 90 E CA 1.634 58.025 56.400 -0.014 0.000 0.814 90 E CB -0.221 29.465 29.700 -0.025 0.000 0.752 90 E HN 0.613 nan 8.360 nan 0.000 0.466 91 K N -0.439 119.917 120.400 -0.073 0.000 2.228 91 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 91 K C 1.453 177.970 176.600 -0.139 0.000 1.051 91 K CA 0.747 56.984 56.287 -0.084 0.000 0.960 91 K CB 0.176 32.629 32.500 -0.078 0.000 0.743 91 K HN 0.186 nan 8.250 nan 0.000 0.458 92 I N -0.518 119.917 120.570 -0.225 0.000 3.035 92 I HA -0.006 4.164 4.170 -0.000 0.000 0.271 92 I C 0.275 175.988 176.117 -0.674 0.000 1.190 92 I CA 0.942 61.954 61.300 -0.480 0.000 1.472 92 I CB -0.024 37.593 38.000 -0.640 0.000 1.116 92 I HN -0.044 nan 8.210 nan 0.000 0.443 93 F N 3.321 123.242 119.950 -0.048 0.000 2.542 93 F HA 0.346 4.873 4.527 0.000 0.000 0.323 93 F C -2.124 173.657 175.800 -0.032 0.000 1.411 93 F CA -2.075 55.906 58.000 -0.032 0.000 1.124 93 F CB 0.135 39.118 39.000 -0.029 0.000 1.331 93 F HN -0.135 nan 8.300 nan 0.000 0.560 94 P HA 0.137 nan 4.420 nan 0.000 0.261 94 P C 0.629 177.965 177.300 0.059 0.000 1.173 94 P CA 1.061 64.189 63.100 0.046 0.000 0.760 94 P CB 0.909 32.615 31.700 0.010 0.000 0.783 98 K N 2.579 123.002 120.400 0.039 0.000 2.535 98 K HA 0.599 4.919 4.320 -0.000 0.000 0.251 98 K C -2.095 174.567 176.600 0.104 0.000 0.942 98 K CA -0.715 55.607 56.287 0.058 0.000 0.798 98 K CB 2.195 34.707 32.500 0.019 0.000 1.267 98 K HN 0.717 nan 8.250 nan 0.000 0.434 99 Y N 5.625 125.933 120.300 0.012 0.000 2.313 99 Y HA 0.400 4.950 4.550 -0.000 0.000 0.332 99 Y C -0.755 175.156 175.900 0.018 0.000 1.071 99 Y CA -0.887 57.228 58.100 0.025 0.000 1.169 99 Y CB 0.760 39.239 38.460 0.031 0.000 1.192 99 Y HN 0.379 nan 8.280 nan 0.000 0.487 100 I N 7.560 127.726 120.570 -0.674 0.000 2.330 100 I HA 0.109 4.278 4.170 -0.000 0.000 0.286 100 I C 1.032 176.636 176.117 -0.855 0.000 1.025 100 I CA -0.451 60.528 61.300 -0.535 0.000 1.197 100 I CB 1.150 38.984 38.000 -0.276 0.000 1.358 100 I HN 0.853 nan 8.210 nan 0.000 0.467 101 E N 4.439 124.257 120.200 -0.636 0.000 2.204 101 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 101 E C 0.692 177.182 176.600 -0.183 0.000 0.989 101 E CA 1.144 57.325 56.400 -0.366 0.000 0.824 101 E CB 0.203 29.897 29.700 -0.011 0.000 0.756 101 E HN 0.570 nan 8.360 nan 0.000 0.477 102 E N 0.792 120.897 120.200 -0.158 0.000 2.110 102 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 102 E C 1.801 178.351 176.600 -0.083 0.000 0.988 102 E CA 2.135 58.482 56.400 -0.089 0.000 0.804 102 E CB -0.076 29.579 29.700 -0.074 0.000 0.745 102 E HN 0.585 nan 8.360 nan 0.000 0.458 103 T N -3.306 111.174 114.554 -0.124 0.000 3.040 103 T HA 0.128 4.478 4.350 -0.000 0.000 0.266 103 T C 0.401 175.056 174.700 -0.074 0.000 1.005 103 T CA -0.028 62.021 62.100 -0.085 0.000 0.906 103 T CB -0.238 68.583 68.868 -0.078 0.000 1.082 103 T HN 0.239 nan 8.240 nan 0.000 0.531 104 N N 0.185 118.811 118.700 -0.124 0.000 2.727 104 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 104 N C -0.962 174.569 175.510 0.035 0.000 1.040 104 N CA -0.027 53.026 53.050 0.004 0.000 0.712 104 N CB -0.910 37.650 38.487 0.121 0.000 0.912 104 N HN 0.368 nan 8.380 nan 0.000 0.545 105 V N 1.052 120.906 119.914 -0.099 0.000 3.001 105 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 105 V C -0.269 175.843 176.094 0.030 0.000 1.099 105 V CA -0.670 61.615 62.300 -0.025 0.000 0.989 105 V CB 2.404 34.183 31.823 -0.073 0.000 1.040 105 V HN -0.007 nan 8.190 nan 0.000 0.434 106 V N 5.357 125.336 119.914 0.109 0.000 2.409 106 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 106 V C -0.368 175.774 176.094 0.080 0.000 1.020 106 V CA -0.488 61.923 62.300 0.186 0.000 0.848 106 V CB 1.522 33.580 31.823 0.391 0.000 0.990 106 V HN 0.582 nan 8.190 nan 0.000 0.430 107 L N 6.123 127.365 121.223 0.032 0.000 2.289 107 L HA 0.621 4.961 4.340 -0.000 0.000 0.285 107 L C -0.570 176.273 176.870 -0.044 0.000 1.049 107 L CA -0.402 54.425 54.840 -0.020 0.000 0.804 107 L CB 1.560 43.598 42.059 -0.036 0.000 1.195 107 L HN 0.474 nan 8.230 nan 0.000 0.428 108 I N 2.758 123.264 120.570 -0.108 0.000 2.411 108 I HA 0.506 4.676 4.170 -0.000 0.000 0.284 108 I C 0.764 176.758 176.117 -0.204 0.000 1.012 108 I CA -0.296 60.870 61.300 -0.223 0.000 1.119 108 I CB 1.393 39.116 38.000 -0.463 0.000 1.261 108 I HN 0.857 nan 8.210 nan 0.000 0.448 109 G N 5.612 114.329 108.800 -0.139 0.000 2.645 109 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 109 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 109 G C 0.140 174.996 174.900 -0.074 0.000 1.322 109 G CA 0.261 45.306 45.100 -0.093 0.000 0.898 109 G HN 0.886 nan 8.290 nan 0.000 0.573 110 D N -0.610 119.756 120.400 -0.057 0.000 2.501 110 D HA 0.183 4.823 4.640 -0.000 0.000 0.226 110 D C 0.988 177.258 176.300 -0.049 0.000 1.198 110 D CA 0.097 54.068 54.000 -0.048 0.000 0.830 110 D CB 0.146 40.926 40.800 -0.035 0.000 1.014 110 D HN 0.576 nan 8.370 nan 0.000 0.496 111 K N -0.132 120.232 120.400 -0.060 0.000 2.517 111 K HA 0.221 4.541 4.320 -0.000 0.000 0.210 111 K C -0.396 176.163 176.600 -0.068 0.000 1.166 111 K CA -0.122 56.132 56.287 -0.055 0.000 1.030 111 K CB 2.521 34.995 32.500 -0.044 0.000 0.974 111 K HN -0.071 nan 8.250 nan 0.000 0.585 112 V N 1.884 121.744 119.914 -0.090 0.000 2.540 112 V HA 0.420 4.540 4.120 -0.000 0.000 0.302 112 V C -0.769 175.267 176.094 -0.096 0.000 1.035 112 V CA -0.905 61.334 62.300 -0.103 0.000 0.873 112 V CB 1.922 33.658 31.823 -0.145 0.000 0.992 112 V HN 0.146 nan 8.190 nan 0.000 0.428 113 R N 3.458 123.903 120.500 -0.092 0.000 2.532 113 R HA 0.799 5.139 4.340 -0.000 0.000 0.297 113 R C -2.137 174.088 176.300 -0.125 0.000 0.984 113 R CA -0.399 55.649 56.100 -0.087 0.000 0.884 113 R CB 2.183 32.434 30.300 -0.080 0.000 1.182 113 R HN 0.518 nan 8.270 nan 0.000 0.442 114 V N 3.664 123.504 119.914 -0.124 0.000 2.487 114 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 114 V C 0.061 176.004 176.094 -0.250 0.000 1.028 114 V CA -0.621 61.511 62.300 -0.279 0.000 0.860 114 V CB 1.352 32.980 31.823 -0.325 0.000 0.991 114 V HN 0.977 nan 8.190 nan 0.000 0.427 115 S N 2.561 118.072 115.700 -0.315 0.000 2.801 115 S HA 0.458 4.928 4.470 -0.000 0.000 0.312 115 S C 0.671 175.173 174.600 -0.164 0.000 1.112 115 S CA -0.651 57.448 58.200 -0.168 0.000 0.943 115 S CB 1.517 64.649 63.200 -0.114 0.000 1.269 115 S HN 0.644 nan 8.310 nan 0.000 0.558 116 E N 0.223 120.434 120.200 0.018 0.000 2.265 116 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 116 E C 1.520 178.235 176.600 0.192 0.000 0.996 116 E CA 1.380 57.880 56.400 0.167 0.000 0.832 116 E CB -0.581 29.205 29.700 0.143 0.000 0.756 116 E HN 0.733 nan 8.360 nan 0.000 0.491 117 I N -3.607 116.972 120.570 0.015 0.000 3.860 117 I HA 0.348 4.518 4.170 -0.000 0.000 0.319 117 I C 0.850 176.891 176.117 -0.126 0.000 1.279 117 I CA 0.123 61.438 61.300 0.025 0.000 1.220 117 I CB 0.616 38.616 38.000 0.000 0.000 1.027 117 I HN -0.027 nan 8.210 nan 0.000 0.428 118 G N 0.690 109.158 108.800 -0.553 0.000 2.359 118 G HA2 0.114 4.074 3.960 -0.000 0.000 0.303 118 G HA3 0.114 4.074 3.960 -0.000 0.000 0.303 118 G C -1.196 173.301 174.900 -0.672 0.000 1.293 118 G CA -0.510 44.071 45.100 -0.864 0.000 0.964 118 G HN -0.033 nan 8.290 nan 0.000 0.531 119 V N 0.720 120.328 119.914 -0.509 0.000 2.530 119 V HA 0.546 4.666 4.120 -0.000 0.000 0.282 119 V C 0.558 176.552 176.094 -0.168 0.000 1.048 119 V CA 0.168 62.295 62.300 -0.289 0.000 0.997 119 V CB 1.357 33.087 31.823 -0.155 0.000 0.987 119 V HN 0.802 nan 8.190 nan 0.000 0.477 120 E N 3.000 123.117 120.200 -0.139 0.000 2.210 120 E HA 0.681 5.031 4.350 -0.000 0.000 0.266 120 E C -0.116 176.439 176.600 -0.075 0.000 0.883 120 E CA 0.014 56.358 56.400 -0.094 0.000 0.761 120 E CB 1.868 31.514 29.700 -0.090 0.000 1.156 120 E HN 0.983 nan 8.360 nan 0.000 0.412 121 G N 1.064 109.832 108.800 -0.054 0.000 2.369 121 G HA2 0.295 4.255 3.960 -0.000 0.000 0.307 121 G HA3 0.295 4.255 3.960 -0.000 0.000 0.307 121 G C -1.255 173.628 174.900 -0.028 0.000 1.327 121 G CA -0.341 44.733 45.100 -0.044 0.000 0.963 121 G HN 0.992 nan 8.290 nan 0.000 0.590 122 V N -2.679 117.223 119.914 -0.021 0.000 3.114 122 V HA 1.088 5.208 4.120 -0.000 0.000 0.308 122 V C 0.774 176.867 176.094 -0.001 0.000 1.168 122 V CA 0.356 62.651 62.300 -0.007 0.000 1.015 122 V CB 1.147 32.966 31.823 -0.007 0.000 1.050 122 V HN 3.092 nan 8.190 nan 0.000 0.433 123 G N 2.597 111.403 108.800 0.010 0.000 2.631 123 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.504 123 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.504 123 G C -2.104 172.816 174.900 0.034 0.000 1.306 123 G CA -0.033 45.078 45.100 0.018 0.000 0.897 123 G HN 0.807 nan 8.290 nan 0.000 0.520 124 P HA -0.079 nan 4.420 nan 0.000 0.214 124 P C 2.226 179.590 177.300 0.106 0.000 1.163 124 P CA 2.160 65.302 63.100 0.069 0.000 0.889 124 P CB -0.085 31.654 31.700 0.066 0.000 0.790 125 V N 0.289 120.258 119.914 0.092 0.000 2.282 125 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 125 V C 2.544 178.677 176.094 0.065 0.000 1.057 125 V CA 2.440 64.797 62.300 0.095 0.000 1.032 125 V CB -1.865 29.936 31.823 -0.037 0.000 0.645 125 V HN 0.131 nan 8.190 nan 0.000 0.447 126 A N -0.595 122.241 122.820 0.026 0.000 1.933 126 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 126 A C 2.135 179.767 177.584 0.079 0.000 1.175 126 A CA 1.903 53.956 52.037 0.026 0.000 0.628 126 A CB -0.476 18.524 19.000 0.001 0.000 0.814 126 A HN 0.526 nan 8.150 nan 0.000 0.444 127 E N -0.616 119.638 120.200 0.089 0.000 2.072 127 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 127 E C 2.177 178.863 176.600 0.144 0.000 0.985 127 E CA 1.255 57.714 56.400 0.099 0.000 0.801 127 E CB -0.193 29.553 29.700 0.078 0.000 0.750 127 E HN 0.484 nan 8.360 nan 0.000 0.452 128 R N 0.337 120.953 120.500 0.194 0.000 2.115 128 R HA 0.053 4.393 4.340 -0.000 0.000 0.230 128 R C 1.857 178.371 176.300 0.356 0.000 1.111 128 R CA 1.460 57.707 56.100 0.245 0.000 0.976 128 R CB -0.572 29.897 30.300 0.282 0.000 0.870 128 R HN 0.159 nan 8.270 nan 0.000 0.445 129 A N 0.434 123.491 122.820 0.396 0.000 1.929 129 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 129 A C 1.923 179.710 177.584 0.338 0.000 1.176 129 A CA 1.419 53.699 52.037 0.406 0.000 0.628 129 A CB -0.307 18.814 19.000 0.201 0.000 0.816 129 A HN 0.350 nan 8.150 nan 0.000 0.444 130 K N -0.430 120.105 120.400 0.225 0.000 2.026 130 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 130 K C 2.325 179.071 176.600 0.244 0.000 1.048 130 K CA 1.514 57.926 56.287 0.209 0.000 0.929 130 K CB -0.201 32.379 32.500 0.132 0.000 0.713 130 K HN 0.372 nan 8.250 nan 0.000 0.439 131 R N 0.579 121.199 120.500 0.200 0.000 2.083 131 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 131 R C 2.383 178.809 176.300 0.211 0.000 1.137 131 R CA 1.235 57.436 56.100 0.168 0.000 0.951 131 R CB -0.500 29.873 30.300 0.122 0.000 0.851 131 R HN 0.098 nan 8.270 nan 0.000 0.434 132 L N 0.163 121.549 121.223 0.273 0.000 2.017 132 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 132 L C 2.059 179.210 176.870 0.468 0.000 1.073 132 L CA 1.608 56.645 54.840 0.329 0.000 0.745 132 L CB -0.556 41.725 42.059 0.370 0.000 0.894 132 L HN 0.040 nan 8.230 nan 0.000 0.432 133 F N 0.577 120.744 119.950 0.363 0.000 2.126 133 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 133 F C 2.546 178.490 175.800 0.240 0.000 1.096 133 F CA 2.094 60.239 58.000 0.241 0.000 1.255 133 F CB -0.376 38.609 39.000 -0.025 0.000 0.997 133 F HN 0.350 nan 8.300 nan 0.000 0.479 134 E N -0.144 120.170 120.200 0.190 0.000 2.058 134 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 134 E C 2.158 178.767 176.600 0.015 0.000 0.997 134 E CA 1.604 58.040 56.400 0.061 0.000 0.801 134 E CB -0.250 29.517 29.700 0.111 0.000 0.746 134 E HN 0.376 nan 8.360 nan 0.000 0.450 135 E N 0.078 120.332 120.200 0.090 0.000 2.077 135 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 135 E C 1.703 178.349 176.600 0.076 0.000 0.989 135 E CA 1.129 57.574 56.400 0.075 0.000 0.800 135 E CB -0.547 29.217 29.700 0.106 0.000 0.746 135 E HN 0.374 nan 8.360 nan 0.000 0.452 136 F N 0.657 120.589 119.950 -0.030 0.000 2.091 136 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 136 F C 0.745 176.450 175.800 -0.158 0.000 1.103 136 F CA 1.027 59.001 58.000 -0.042 0.000 1.228 136 F CB -0.240 38.796 39.000 0.060 0.000 0.984 136 F HN -0.073 nan 8.300 nan 0.000 0.477 137 L N 0.000 120.985 121.223 -0.397 0.000 2.949 137 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 137 L CA 0.000 54.552 54.840 -0.480 0.000 0.813 137 L CB 0.000 41.810 42.059 -0.415 0.000 0.961 137 L HN 0.000 nan 8.230 nan 0.000 0.502