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 2q78_1_G DATA FIRST_RESID 0 DATA SEQUENCE HXXDFDFLEG KRLTEDVALD ETXVWNEDIE XLDLHLVATS ALIGVVHRVS DATA SEQUENCE YELLSRYLPN DYTAVVVETL ARHVKAVPTG TRVAVGVRVV GVVGNRVKFR DATA SEQUENCE GIVXSGDEKI LEAEFVRAIV PREKLRRLAL E 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.384 175.328 0.093 0.000 0.993 0 H CA 0.000 56.094 56.048 0.076 0.000 1.023 0 H CB 0.000 29.812 29.762 0.083 0.000 1.292 4 F N 1.769 121.709 119.950 -0.017 0.000 2.647 4 F HA 0.297 4.824 4.527 0.000 0.000 0.300 4 F C 1.398 176.973 175.800 -0.375 0.000 1.106 4 F CA -0.413 57.485 58.000 -0.170 0.000 1.313 4 F CB 0.416 39.282 39.000 -0.222 0.000 1.007 4 F HN 0.324 nan 8.300 nan 0.000 0.536 5 D N 0.222 120.594 120.400 -0.046 0.000 2.310 5 D HA -0.166 4.474 4.640 -0.000 0.000 0.212 5 D C 2.078 178.297 176.300 -0.136 0.000 0.965 5 D CA 1.055 54.998 54.000 -0.095 0.000 0.879 5 D CB -0.314 40.467 40.800 -0.032 0.000 0.921 5 D HN 0.414 nan 8.370 nan 0.000 0.510 6 F N -0.121 119.795 119.950 -0.056 0.000 2.373 6 F HA -0.056 4.471 4.527 0.000 0.000 0.300 6 F C 1.431 177.155 175.800 -0.127 0.000 1.080 6 F CA 0.650 58.601 58.000 -0.082 0.000 1.417 6 F CB -0.767 38.189 39.000 -0.073 0.000 1.070 6 F HN -0.059 nan 8.300 nan 0.000 0.546 7 L N 0.333 121.006 121.223 -0.916 0.000 2.275 7 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 7 L C 0.925 177.557 176.870 -0.396 0.000 1.119 7 L CA 0.559 54.990 54.840 -0.682 0.000 0.790 7 L CB -0.804 40.846 42.059 -0.682 0.000 0.919 7 L HN 0.144 nan 8.230 nan 0.000 0.443 8 E N 0.066 120.082 120.200 -0.307 0.000 2.480 8 E HA 0.107 4.457 4.350 -0.000 0.000 0.258 8 E C 1.078 177.569 176.600 -0.181 0.000 0.984 8 E CA 0.770 57.031 56.400 -0.232 0.000 0.930 8 E CB 0.325 29.924 29.700 -0.168 0.000 0.936 8 E HN 0.324 nan 8.360 nan 0.000 0.466 9 G N 3.385 112.081 108.800 -0.173 0.000 2.234 9 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 9 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 9 G C 0.096 174.932 174.900 -0.107 0.000 0.997 9 G CA -0.277 44.752 45.100 -0.119 0.000 0.623 9 G HN 0.412 nan 8.290 nan 0.000 0.514 10 K N 1.339 121.650 120.400 -0.149 0.000 2.469 10 K HA 0.351 4.671 4.320 -0.000 0.000 0.274 10 K C 0.844 177.424 176.600 -0.033 0.000 0.983 10 K CA 0.519 56.735 56.287 -0.117 0.000 0.974 10 K CB 0.508 32.876 32.500 -0.219 0.000 0.913 10 K HN 0.829 nan 8.250 nan 0.000 0.493 11 R N 0.680 121.196 120.500 0.026 0.000 2.740 11 R HA 0.698 5.038 4.340 -0.000 0.000 0.273 11 R C -1.348 175.011 176.300 0.099 0.000 0.998 11 R CA -1.167 54.972 56.100 0.065 0.000 0.900 11 R CB 1.024 31.349 30.300 0.040 0.000 1.223 11 R HN 0.330 nan 8.270 nan 0.000 0.466 12 L N 0.267 121.556 121.223 0.110 0.000 2.482 12 L HA 0.554 4.894 4.340 -0.000 0.000 0.263 12 L C -1.525 175.396 176.870 0.085 0.000 0.957 12 L CA 0.099 55.001 54.840 0.103 0.000 0.836 12 L CB 2.948 45.080 42.059 0.122 0.000 1.324 12 L HN 0.845 nan 8.230 nan 0.000 0.406 13 T N 3.315 117.909 114.554 0.067 0.000 2.861 13 T HA 0.664 5.014 4.350 -0.000 0.000 0.287 13 T C -1.149 173.578 174.700 0.046 0.000 1.003 13 T CA -0.559 61.574 62.100 0.054 0.000 0.977 13 T CB 1.733 70.628 68.868 0.045 0.000 0.996 13 T HN 0.594 nan 8.240 nan 0.000 0.448 14 E N 1.295 121.519 120.200 0.039 0.000 2.314 14 E HA 0.286 4.636 4.350 -0.000 0.000 0.272 14 E C -1.455 175.159 176.600 0.023 0.000 0.884 14 E CA -0.853 55.566 56.400 0.031 0.000 0.753 14 E CB 2.231 31.950 29.700 0.032 0.000 1.213 14 E HN 0.497 nan 8.360 nan 0.000 0.432 15 D N 1.953 122.364 120.400 0.019 0.000 2.325 15 D HA 0.234 4.874 4.640 -0.000 0.000 0.251 15 D C -1.264 175.042 176.300 0.010 0.000 1.196 15 D CA -0.124 53.884 54.000 0.013 0.000 0.866 15 D CB 0.788 41.595 40.800 0.013 0.000 1.101 15 D HN -0.003 nan 8.370 nan 0.000 0.476 16 V N 3.107 123.025 119.914 0.005 0.000 2.531 16 V HA 0.641 4.761 4.120 -0.000 0.000 0.301 16 V C 0.238 176.331 176.094 -0.001 0.000 1.034 16 V CA -1.269 61.032 62.300 0.001 0.000 0.865 16 V CB 1.532 33.352 31.823 -0.005 0.000 0.995 16 V HN 0.749 nan 8.190 nan 0.000 0.424 17 A N 5.945 128.765 122.820 -0.001 0.000 2.404 17 A HA 0.627 4.947 4.320 -0.000 0.000 0.273 17 A C -0.208 177.374 177.584 -0.003 0.000 1.144 17 A CA -0.208 51.828 52.037 -0.002 0.000 0.806 17 A CB -0.090 18.909 19.000 -0.002 0.000 1.080 17 A HN 0.834 nan 8.150 nan 0.000 0.509 18 L N 3.657 124.880 121.223 -0.000 0.000 2.283 18 L HA 0.279 4.619 4.340 -0.000 0.000 0.287 18 L C 0.054 176.929 176.870 0.008 0.000 1.073 18 L CA -0.568 54.274 54.840 0.003 0.000 0.822 18 L CB 0.412 42.476 42.059 0.009 0.000 1.186 18 L HN 0.929 nan 8.230 nan 0.000 0.436 19 D N 0.539 120.944 120.400 0.008 0.000 2.549 19 D HA 0.132 4.772 4.640 -0.000 0.000 0.270 19 D C 0.620 176.933 176.300 0.022 0.000 1.181 19 D CA -0.672 53.333 54.000 0.008 0.000 1.070 19 D CB 0.985 41.786 40.800 0.001 0.000 1.154 19 D HN 0.240 nan 8.370 nan 0.000 0.602 20 E N -1.028 119.184 120.200 0.019 0.000 2.347 20 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 20 E C 0.539 177.165 176.600 0.043 0.000 1.008 20 E CA 0.498 56.923 56.400 0.041 0.000 0.852 20 E CB -0.435 29.282 29.700 0.027 0.000 0.783 20 E HN 0.616 nan 8.360 nan 0.000 0.505 24 W N 7.297 128.608 121.300 0.018 0.000 2.469 24 W HA 0.406 5.066 4.660 -0.000 0.000 0.321 24 W C 0.618 177.130 176.519 -0.012 0.000 1.415 24 W CA 0.209 57.557 57.345 0.005 0.000 1.308 24 W CB 0.640 30.105 29.460 0.009 0.000 1.368 24 W HN 0.826 nan 8.180 nan 0.000 0.546 25 N N 2.459 120.988 118.700 -0.284 0.000 2.194 25 N HA -0.030 4.710 4.740 -0.000 0.000 0.231 25 N C 0.725 175.986 175.510 -0.415 0.000 1.247 25 N CA -0.049 52.778 53.050 -0.372 0.000 0.884 25 N CB -0.340 38.053 38.487 -0.156 0.000 1.146 25 N HN 0.593 nan 8.380 nan 0.000 0.516 26 E N 0.037 119.945 120.200 -0.487 0.000 2.130 26 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 26 E C -0.398 176.009 176.600 -0.321 0.000 0.998 26 E CA 1.171 57.420 56.400 -0.250 0.000 0.806 26 E CB 0.011 29.735 29.700 0.039 0.000 0.738 26 E HN 0.365 nan 8.360 nan 0.000 0.459 27 D N -1.011 119.025 120.400 -0.607 0.000 2.408 27 D HA 0.129 4.769 4.640 -0.000 0.000 0.243 27 D C 0.345 176.401 176.300 -0.407 0.000 1.075 27 D CA -0.418 53.316 54.000 -0.445 0.000 0.832 27 D CB 1.373 41.882 40.800 -0.486 0.000 1.162 27 D HN -0.207 nan 8.370 nan 0.000 0.515 28 I N 2.278 122.701 120.570 -0.246 0.000 2.353 28 I HA -0.039 4.131 4.170 -0.000 0.000 0.248 28 I C 1.517 177.527 176.117 -0.178 0.000 1.119 28 I CA 0.770 61.954 61.300 -0.194 0.000 1.417 28 I CB -0.299 37.624 38.000 -0.128 0.000 1.078 28 I HN 0.434 nan 8.210 nan 0.000 0.421 32 D N 1.594 121.784 120.400 -0.350 0.000 2.348 32 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 32 D C 1.715 177.894 176.300 -0.200 0.000 0.970 32 D CA 0.716 54.517 54.000 -0.332 0.000 0.889 32 D CB 0.102 40.838 40.800 -0.106 0.000 0.912 32 D HN 0.406 nan 8.370 nan 0.000 0.524 33 L N -0.196 120.949 121.223 -0.129 0.000 2.478 33 L HA -0.035 4.305 4.340 -0.000 0.000 0.223 33 L C 0.337 177.271 176.870 0.107 0.000 1.140 33 L CA 0.211 55.069 54.840 0.030 0.000 0.842 33 L CB -0.840 41.274 42.059 0.092 0.000 0.953 33 L HN 0.106 nan 8.230 nan 0.000 0.452 34 H N 0.283 119.398 119.070 0.074 0.000 2.527 34 H HA -0.153 4.403 4.556 0.000 0.000 0.321 34 H C 0.178 175.572 175.328 0.110 0.000 1.092 34 H CA 0.409 56.503 56.048 0.076 0.000 1.118 34 H CB -1.796 27.994 29.762 0.046 0.000 1.536 34 H HN 0.309 nan 8.280 nan 0.000 0.407 35 L N 0.219 121.583 121.223 0.235 0.000 2.399 35 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 35 L C 1.016 178.027 176.870 0.234 0.000 1.114 35 L CA -0.683 54.290 54.840 0.222 0.000 0.804 35 L CB 1.183 43.378 42.059 0.227 0.000 1.146 35 L HN -0.097 nan 8.230 nan 0.000 0.451 36 V N 1.959 121.972 119.914 0.164 0.000 2.546 36 V HA 0.310 4.430 4.120 -0.000 0.000 0.284 36 V C 0.683 176.865 176.094 0.147 0.000 1.050 36 V CA -0.616 61.767 62.300 0.138 0.000 0.981 36 V CB 1.313 33.180 31.823 0.073 0.000 0.990 36 V HN 0.891 nan 8.190 nan 0.000 0.474 37 A N 3.856 126.766 122.820 0.150 0.000 2.445 37 A HA 0.324 4.644 4.320 -0.000 0.000 0.242 37 A C 1.465 179.072 177.584 0.038 0.000 1.075 37 A CA 0.228 52.341 52.037 0.127 0.000 0.777 37 A CB 0.100 19.204 19.000 0.174 0.000 1.013 37 A HN 0.930 nan 8.150 nan 0.000 0.493 38 T N 1.559 116.136 114.554 0.038 0.000 2.720 38 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 38 T C 2.235 176.880 174.700 -0.091 0.000 1.037 38 T CA 2.286 64.383 62.100 -0.006 0.000 1.144 38 T CB -0.370 68.550 68.868 0.087 0.000 0.864 38 T HN 0.988 nan 8.240 nan 0.000 0.444 39 S N 1.950 117.623 115.700 -0.044 0.000 2.402 39 S HA 0.061 4.531 4.470 -0.000 0.000 0.229 39 S C 2.437 176.978 174.600 -0.098 0.000 1.021 39 S CA 0.794 58.952 58.200 -0.071 0.000 0.974 39 S CB -0.615 62.571 63.200 -0.023 0.000 0.800 39 S HN 0.521 nan 8.310 nan 0.000 0.484 40 A N 2.263 125.046 122.820 -0.062 0.000 1.877 40 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 40 A C 2.301 179.811 177.584 -0.124 0.000 1.186 40 A CA 1.413 53.410 52.037 -0.067 0.000 0.620 40 A CB -0.906 18.083 19.000 -0.018 0.000 0.822 40 A HN 0.517 nan 8.150 nan 0.000 0.443 41 L N -0.648 120.480 121.223 -0.159 0.000 2.083 41 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 41 L C 2.442 179.151 176.870 -0.268 0.000 1.083 41 L CA 1.053 55.767 54.840 -0.210 0.000 0.752 41 L CB -0.446 41.435 42.059 -0.297 0.000 0.899 41 L HN 0.390 nan 8.230 nan 0.000 0.433 42 I N -0.328 120.050 120.570 -0.320 0.000 2.286 42 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 42 I C 2.608 178.327 176.117 -0.664 0.000 1.115 42 I CA 1.356 62.342 61.300 -0.524 0.000 1.392 42 I CB -0.786 36.925 38.000 -0.481 0.000 1.065 42 I HN 0.273 nan 8.210 nan 0.000 0.418 43 G N 0.453 109.028 108.800 -0.376 0.000 2.440 43 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 43 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 43 G C 1.710 176.494 174.900 -0.193 0.000 1.154 43 G CA 0.926 45.880 45.100 -0.243 0.000 0.767 43 G HN 0.248 nan 8.290 nan 0.000 0.552 44 V N 0.349 120.154 119.914 -0.181 0.000 2.358 44 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 44 V C 3.035 179.061 176.094 -0.113 0.000 1.047 44 V CA 1.498 63.729 62.300 -0.116 0.000 1.035 44 V CB -0.201 31.563 31.823 -0.097 0.000 0.658 44 V HN 0.259 nan 8.190 nan 0.000 0.452 45 V N -0.445 119.358 119.914 -0.185 0.000 2.358 45 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 45 V C 2.222 178.232 176.094 -0.138 0.000 1.047 45 V CA 2.147 64.366 62.300 -0.135 0.000 1.035 45 V CB -0.984 30.738 31.823 -0.167 0.000 0.658 45 V HN 0.653 nan 8.190 nan 0.000 0.452 46 H N -0.292 118.527 119.070 -0.419 0.000 2.353 46 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 46 H C 2.677 177.894 175.328 -0.185 0.000 1.103 46 H CA 1.748 57.519 56.048 -0.463 0.000 1.293 46 H CB 0.056 29.567 29.762 -0.420 0.000 1.372 46 H HN 0.234 nan 8.280 nan 0.000 0.501 47 R N 0.473 120.979 120.500 0.009 0.000 2.083 47 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 47 R C 2.344 178.687 176.300 0.072 0.000 1.137 47 R CA 1.419 57.538 56.100 0.032 0.000 0.951 47 R CB -0.192 30.107 30.300 -0.002 0.000 0.851 47 R HN 0.104 nan 8.270 nan 0.000 0.434 48 V N 0.698 120.638 119.914 0.043 0.000 2.407 48 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 48 V C 2.341 178.463 176.094 0.047 0.000 1.055 48 V CA 2.051 64.386 62.300 0.058 0.000 1.049 48 V CB -0.527 31.330 31.823 0.057 0.000 0.662 48 V HN 0.565 nan 8.190 nan 0.000 0.455 49 S N -0.450 115.237 115.700 -0.021 0.000 2.382 49 S HA -0.296 4.174 4.470 -0.000 0.000 0.228 49 S C 2.000 176.538 174.600 -0.103 0.000 1.027 49 S CA 1.786 59.831 58.200 -0.258 0.000 0.991 49 S CB -0.804 61.972 63.200 -0.707 0.000 0.823 49 S HN 0.652 nan 8.310 nan 0.000 0.469 50 Y N 2.337 122.585 120.300 -0.088 0.000 2.200 50 Y HA -0.047 4.503 4.550 -0.000 0.000 0.290 50 Y C 2.596 178.510 175.900 0.024 0.000 1.137 50 Y CA 1.993 60.080 58.100 -0.023 0.000 1.163 50 Y CB -0.462 37.984 38.460 -0.024 0.000 0.988 50 Y HN 0.342 nan 8.280 nan 0.000 0.518 51 E N 0.677 120.953 120.200 0.128 0.000 2.077 51 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 51 E C 2.235 178.842 176.600 0.012 0.000 0.989 51 E CA 1.620 58.063 56.400 0.072 0.000 0.800 51 E CB -0.704 29.058 29.700 0.103 0.000 0.746 51 E HN 0.629 nan 8.360 nan 0.000 0.452 52 L N -0.117 121.147 121.223 0.068 0.000 1.970 52 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 52 L C 2.392 179.372 176.870 0.184 0.000 1.071 52 L CA 1.623 56.561 54.840 0.163 0.000 0.751 52 L CB -0.345 41.852 42.059 0.229 0.000 0.889 52 L HN 0.256 nan 8.230 nan 0.000 0.432 53 L N -0.067 121.214 121.223 0.095 0.000 2.042 53 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 53 L C 2.910 179.754 176.870 -0.044 0.000 1.076 53 L CA 1.670 56.551 54.840 0.068 0.000 0.749 53 L CB -0.719 41.327 42.059 -0.022 0.000 0.893 53 L HN 0.551 nan 8.230 nan 0.000 0.432 54 S N -0.202 115.331 115.700 -0.278 0.000 2.419 54 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 54 S C 1.928 176.441 174.600 -0.145 0.000 1.019 54 S CA 0.833 58.871 58.200 -0.271 0.000 0.982 54 S CB -0.443 62.536 63.200 -0.368 0.000 0.789 54 S HN 0.414 nan 8.310 nan 0.000 0.490 55 R N -0.689 119.700 120.500 -0.186 0.000 2.280 55 R HA 0.079 4.419 4.340 -0.000 0.000 0.207 55 R C 0.683 176.614 176.300 -0.615 0.000 1.043 55 R CA 1.137 56.988 56.100 -0.415 0.000 1.006 55 R CB -0.189 29.759 30.300 -0.585 0.000 0.885 55 R HN 0.609 nan 8.270 nan 0.000 0.467 56 Y N -1.114 119.229 120.300 0.072 0.000 2.476 56 Y HA 0.258 4.808 4.550 -0.000 0.000 0.261 56 Y C 0.531 176.554 175.900 0.203 0.000 1.077 56 Y CA -0.506 57.694 58.100 0.167 0.000 1.240 56 Y CB 0.645 39.276 38.460 0.285 0.000 1.317 56 Y HN -0.164 nan 8.280 nan 0.000 0.540 57 L N 2.605 123.965 121.223 0.229 0.000 2.436 57 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 57 L C -2.023 174.944 176.870 0.162 0.000 1.168 57 L CA -1.831 53.127 54.840 0.198 0.000 0.815 57 L CB 0.364 42.492 42.059 0.115 0.000 1.109 57 L HN -0.139 nan 8.230 nan 0.000 0.462 58 P HA 0.062 nan 4.420 nan 0.000 0.270 58 P C -0.078 177.356 177.300 0.223 0.000 1.223 58 P CA -0.279 62.927 63.100 0.176 0.000 0.785 58 P CB 0.442 32.264 31.700 0.202 0.000 0.923 59 N N 1.070 119.868 118.700 0.164 0.000 2.550 59 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 59 N C 0.493 176.086 175.510 0.138 0.000 1.110 59 N CA 0.842 53.968 53.050 0.127 0.000 0.912 59 N CB -0.228 38.309 38.487 0.082 0.000 0.968 59 N HN 0.517 nan 8.380 nan 0.000 0.448 60 D N -1.677 118.836 120.400 0.189 0.000 2.379 60 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 60 D C -0.061 176.265 176.300 0.044 0.000 1.065 60 D CA -0.003 54.056 54.000 0.099 0.000 0.848 60 D CB -0.355 40.481 40.800 0.060 0.000 0.949 60 D HN 0.104 nan 8.370 nan 0.000 0.509 61 Y N 0.386 120.739 120.300 0.088 0.000 2.361 61 Y HA 0.486 5.036 4.550 -0.000 0.000 0.332 61 Y C 1.017 176.962 175.900 0.074 0.000 1.101 61 Y CA -0.491 57.661 58.100 0.087 0.000 1.137 61 Y CB 2.002 40.531 38.460 0.115 0.000 1.207 61 Y HN -0.259 nan 8.280 nan 0.000 0.463 62 T N 1.037 115.713 114.554 0.203 0.000 2.804 62 T HA 0.904 5.254 4.350 -0.000 0.000 0.272 62 T C -1.465 173.337 174.700 0.170 0.000 0.986 62 T CA -0.569 61.653 62.100 0.204 0.000 0.999 62 T CB 0.924 69.906 68.868 0.188 0.000 1.307 62 T HN 0.733 nan 8.240 nan 0.000 0.586 63 A N 1.069 124.015 122.820 0.209 0.000 2.437 63 A HA 0.678 4.998 4.320 -0.000 0.000 0.293 63 A C -0.857 176.820 177.584 0.156 0.000 1.038 63 A CA -0.570 51.549 52.037 0.137 0.000 0.708 63 A CB 1.068 20.122 19.000 0.089 0.000 1.251 63 A HN 1.264 nan 8.150 nan 0.000 0.409 64 V N 0.346 120.307 119.914 0.080 0.000 2.769 64 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 64 V C -0.100 176.001 176.094 0.011 0.000 1.061 64 V CA -0.932 61.391 62.300 0.038 0.000 0.931 64 V CB 1.452 33.287 31.823 0.020 0.000 1.010 64 V HN 0.743 nan 8.190 nan 0.000 0.433 65 V N 4.124 124.008 119.914 -0.049 0.000 2.572 65 V HA 0.197 4.317 4.120 -0.000 0.000 0.291 65 V C 1.268 177.344 176.094 -0.029 0.000 1.039 65 V CA 0.735 62.981 62.300 -0.089 0.000 1.055 65 V CB 1.105 32.731 31.823 -0.328 0.000 0.969 65 V HN 1.083 nan 8.190 nan 0.000 0.482 66 V N 1.223 121.144 119.914 0.011 0.000 3.635 66 V HA 0.477 4.597 4.120 -0.000 0.000 0.266 66 V C 0.397 176.515 176.094 0.040 0.000 1.316 66 V CA 0.378 62.693 62.300 0.024 0.000 1.060 66 V CB 0.167 32.008 31.823 0.029 0.000 0.820 66 V HN 0.840 nan 8.190 nan 0.000 0.447 67 E N -0.567 119.672 120.200 0.064 0.000 2.363 67 E HA 0.562 4.912 4.350 -0.000 0.000 0.281 67 E C -1.483 175.211 176.600 0.156 0.000 0.953 67 E CA -0.137 56.317 56.400 0.089 0.000 0.778 67 E CB 2.504 32.251 29.700 0.079 0.000 1.220 67 E HN 0.241 nan 8.360 nan 0.000 0.431 68 T N 2.797 117.450 114.554 0.166 0.000 2.942 68 T HA 0.565 4.915 4.350 -0.000 0.000 0.327 68 T C -2.241 172.562 174.700 0.170 0.000 1.360 68 T CA -0.608 61.642 62.100 0.251 0.000 1.055 68 T CB 1.257 70.306 68.868 0.302 0.000 1.261 68 T HN 0.359 nan 8.240 nan 0.000 0.485 69 L N 3.647 124.982 121.223 0.187 0.000 2.470 69 L HA 0.973 5.313 4.340 -0.000 0.000 0.268 69 L C -1.273 175.663 176.870 0.110 0.000 0.964 69 L CA -0.219 54.693 54.840 0.119 0.000 0.839 69 L CB 1.458 43.581 42.059 0.106 0.000 1.276 69 L HN 0.907 nan 8.230 nan 0.000 0.403 70 A N 4.824 127.680 122.820 0.059 0.000 2.449 70 A HA 0.871 5.191 4.320 -0.000 0.000 0.302 70 A C -1.041 176.561 177.584 0.030 0.000 1.048 70 A CA -0.734 51.323 52.037 0.033 0.000 0.708 70 A CB 1.526 20.510 19.000 -0.026 0.000 1.274 70 A HN 0.691 nan 8.150 nan 0.000 0.410 71 R N 1.098 121.618 120.500 0.034 0.000 2.343 71 R HA 0.329 4.668 4.340 -0.000 0.000 0.320 71 R C -1.035 175.309 176.300 0.072 0.000 0.956 71 R CA -0.417 55.711 56.100 0.045 0.000 0.836 71 R CB 1.416 31.739 30.300 0.038 0.000 1.151 71 R HN 0.897 nan 8.270 nan 0.000 0.450 72 H N 3.320 122.365 119.070 -0.043 0.000 2.685 72 H HA 0.120 4.676 4.556 0.000 0.000 0.286 72 H C 1.161 176.455 175.328 -0.057 0.000 1.102 72 H CA -0.661 55.352 56.048 -0.059 0.000 1.254 72 H CB 0.905 30.614 29.762 -0.088 0.000 1.397 72 H HN 0.494 nan 8.280 nan 0.000 0.473 73 V N 1.706 121.725 119.914 0.176 0.000 2.825 73 V HA 0.225 4.345 4.120 -0.000 0.000 0.246 73 V C 0.668 176.773 176.094 0.018 0.000 1.068 73 V CA 0.614 62.948 62.300 0.057 0.000 1.088 73 V CB -0.011 31.839 31.823 0.045 0.000 0.733 73 V HN 0.471 nan 8.190 nan 0.000 0.468 74 K N 0.469 120.912 120.400 0.072 0.000 2.501 74 K HA 0.717 5.037 4.320 -0.000 0.000 0.252 74 K C -0.445 176.170 176.600 0.025 0.000 0.934 74 K CA -0.248 56.045 56.287 0.011 0.000 0.797 74 K CB 2.378 34.895 32.500 0.027 0.000 1.270 74 K HN 0.403 nan 8.250 nan 0.000 0.431 75 A N 2.054 124.837 122.820 -0.063 0.000 2.425 75 A HA 0.400 4.720 4.320 -0.000 0.000 0.242 75 A C -0.674 176.940 177.584 0.049 0.000 1.077 75 A CA -0.288 51.727 52.037 -0.038 0.000 0.781 75 A CB 0.835 19.784 19.000 -0.084 0.000 1.020 75 A HN 0.452 nan 8.150 nan 0.000 0.494 76 V N 3.196 123.159 119.914 0.081 0.000 2.932 76 V HA 0.628 4.748 4.120 -0.000 0.000 0.307 76 V C -2.746 173.394 176.094 0.077 0.000 1.147 76 V CA -1.910 60.432 62.300 0.069 0.000 0.951 76 V CB 2.704 34.566 31.823 0.064 0.000 1.031 76 V HN 0.817 nan 8.190 nan 0.000 0.426 77 P HA 0.346 nan 4.420 nan 0.000 0.282 77 P C -0.327 177.019 177.300 0.077 0.000 1.249 77 P CA -0.066 63.090 63.100 0.092 0.000 0.806 77 P CB 0.734 32.484 31.700 0.082 0.000 0.984 78 T N -1.821 112.792 114.554 0.097 0.000 2.791 78 T HA 0.318 4.668 4.350 -0.000 0.000 0.323 78 T C 1.126 175.840 174.700 0.022 0.000 1.082 78 T CA 0.518 62.654 62.100 0.061 0.000 1.084 78 T CB -0.694 68.219 68.868 0.075 0.000 0.992 78 T HN 0.870 nan 8.240 nan 0.000 0.547 79 G N 0.685 109.487 108.800 0.002 0.000 2.147 79 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 79 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 79 G C 0.132 175.032 174.900 -0.001 0.000 1.005 79 G CA 0.212 45.304 45.100 -0.013 0.000 0.713 79 G HN 1.099 nan 8.290 nan 0.000 0.515 80 T N -0.555 114.004 114.554 0.008 0.000 2.885 80 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 80 T C 0.210 174.914 174.700 0.006 0.000 1.019 80 T CA -0.597 61.509 62.100 0.010 0.000 1.010 80 T CB 1.977 70.855 68.868 0.018 0.000 1.022 80 T HN 0.475 nan 8.240 nan 0.000 0.466 81 R N 1.382 121.886 120.500 0.006 0.000 2.540 81 R HA 0.757 5.097 4.340 -0.000 0.000 0.287 81 R C -0.944 175.359 176.300 0.005 0.000 0.980 81 R CA -0.560 55.542 56.100 0.004 0.000 0.966 81 R CB 0.787 31.090 30.300 0.005 0.000 1.106 81 R HN 0.533 nan 8.270 nan 0.000 0.480 82 V N -0.145 119.771 119.914 0.003 0.000 3.049 82 V HA 0.828 4.948 4.120 -0.000 0.000 0.309 82 V C -0.896 175.201 176.094 0.005 0.000 1.148 82 V CA -1.242 61.059 62.300 0.003 0.000 0.990 82 V CB 1.869 33.689 31.823 -0.004 0.000 1.039 82 V HN 0.870 nan 8.190 nan 0.000 0.430 83 A N 2.344 125.168 122.820 0.008 0.000 2.252 83 A HA 0.779 5.099 4.320 -0.000 0.000 0.309 83 A C -0.399 177.194 177.584 0.015 0.000 1.285 83 A CA -0.508 51.537 52.037 0.013 0.000 0.900 83 A CB 0.596 19.606 19.000 0.016 0.000 1.157 83 A HN 1.339 nan 8.150 nan 0.000 0.536 84 V N 2.861 122.786 119.914 0.019 0.000 2.357 84 V HA 0.674 4.794 4.120 -0.000 0.000 0.284 84 V C 0.722 176.842 176.094 0.043 0.000 1.018 84 V CA -0.101 62.213 62.300 0.023 0.000 0.841 84 V CB 1.396 33.226 31.823 0.013 0.000 0.991 84 V HN 1.060 nan 8.190 nan 0.000 0.437 85 G N 3.250 112.084 108.800 0.055 0.000 2.452 85 G HA2 0.744 4.704 3.960 -0.000 0.000 0.324 85 G HA3 0.744 4.704 3.960 -0.000 0.000 0.324 85 G C -0.873 174.091 174.900 0.107 0.000 1.214 85 G CA -0.597 44.547 45.100 0.072 0.000 0.947 85 G HN 0.997 nan 8.290 nan 0.000 0.478 86 V N -0.412 119.579 119.914 0.129 0.000 2.962 86 V HA 0.945 5.065 4.120 -0.000 0.000 0.313 86 V C -0.654 175.547 176.094 0.179 0.000 1.099 86 V CA -1.439 60.973 62.300 0.187 0.000 0.971 86 V CB 2.024 33.982 31.823 0.224 0.000 1.028 86 V HN 0.982 nan 8.190 nan 0.000 0.430 87 R N 2.267 122.875 120.500 0.182 0.000 2.548 87 R HA 0.704 5.044 4.340 -0.000 0.000 0.280 87 R C -1.887 174.375 176.300 -0.065 0.000 1.061 87 R CA -0.613 55.529 56.100 0.070 0.000 0.915 87 R CB 2.475 32.782 30.300 0.012 0.000 1.210 87 R HN 0.771 nan 8.270 nan 0.000 0.442 88 V N 5.844 125.616 119.914 -0.236 0.000 2.439 88 V HA 0.049 4.169 4.120 -0.000 0.000 0.271 88 V C 1.218 177.105 176.094 -0.345 0.000 1.040 88 V CA 0.016 61.985 62.300 -0.553 0.000 1.002 88 V CB 1.086 32.561 31.823 -0.580 0.000 1.000 88 V HN 0.731 nan 8.190 nan 0.000 0.477 89 V N 1.918 121.630 119.914 -0.336 0.000 3.644 89 V HA 0.680 4.800 4.120 -0.000 0.000 0.267 89 V C 0.776 176.752 176.094 -0.198 0.000 1.277 89 V CA 0.674 62.847 62.300 -0.212 0.000 1.096 89 V CB 0.008 31.737 31.823 -0.157 0.000 0.828 89 V HN 0.905 nan 8.190 nan 0.000 0.446 90 G N -0.638 108.011 108.800 -0.251 0.000 2.691 90 G HA2 0.550 4.510 3.960 -0.000 0.000 0.298 90 G HA3 0.550 4.510 3.960 -0.000 0.000 0.298 90 G C -1.826 172.943 174.900 -0.218 0.000 1.471 90 G CA -0.280 44.704 45.100 -0.194 0.000 0.912 90 G HN 0.248 nan 8.290 nan 0.000 0.553 91 V N 0.797 120.612 119.914 -0.165 0.000 2.588 91 V HA 0.735 4.855 4.120 -0.000 0.000 0.304 91 V C -0.507 175.542 176.094 -0.074 0.000 1.042 91 V CA -0.766 61.451 62.300 -0.138 0.000 0.877 91 V CB 1.886 33.626 31.823 -0.140 0.000 0.996 91 V HN 0.724 nan 8.190 nan 0.000 0.425 92 V N 4.181 124.066 119.914 -0.048 0.000 2.488 92 V HA 0.772 4.892 4.120 -0.000 0.000 0.293 92 V C 0.858 176.965 176.094 0.021 0.000 1.027 92 V CA 0.516 62.808 62.300 -0.014 0.000 0.862 92 V CB 0.884 32.695 31.823 -0.019 0.000 1.008 92 V HN 1.277 nan 8.190 nan 0.000 0.428 93 G N 5.301 114.133 108.800 0.053 0.000 2.660 93 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.321 93 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.321 93 G C 0.763 175.781 174.900 0.196 0.000 1.246 93 G CA 0.858 46.024 45.100 0.111 0.000 1.000 93 G HN 1.144 nan 8.290 nan 0.000 0.550 94 N N 1.306 120.099 118.700 0.154 0.000 2.270 94 N HA 0.069 4.809 4.740 -0.000 0.000 0.198 94 N C 0.371 175.838 175.510 -0.072 0.000 1.117 94 N CA 0.232 53.312 53.050 0.050 0.000 0.845 94 N CB 0.143 38.689 38.487 0.099 0.000 0.980 94 N HN 0.487 nan 8.380 nan 0.000 0.486 95 R N 0.852 121.334 120.500 -0.031 0.000 2.229 95 R HA 0.385 4.725 4.340 -0.000 0.000 0.328 95 R C -0.798 175.445 176.300 -0.096 0.000 1.009 95 R CA -0.630 55.441 56.100 -0.048 0.000 0.864 95 R CB 1.712 32.000 30.300 -0.021 0.000 1.085 95 R HN -0.075 nan 8.270 nan 0.000 0.453 96 V N 3.393 123.237 119.914 -0.117 0.000 2.409 96 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 96 V C 0.304 176.238 176.094 -0.266 0.000 1.020 96 V CA -0.927 61.230 62.300 -0.239 0.000 0.848 96 V CB 1.865 33.514 31.823 -0.289 0.000 0.990 96 V HN 0.533 nan 8.190 nan 0.000 0.430 97 K N 3.863 124.048 120.400 -0.359 0.000 2.201 97 K HA 0.617 4.937 4.320 -0.000 0.000 0.278 97 K C -1.492 174.749 176.600 -0.598 0.000 1.027 97 K CA -0.320 55.771 56.287 -0.325 0.000 0.909 97 K CB 0.705 33.077 32.500 -0.213 0.000 1.062 97 K HN 0.492 nan 8.250 nan 0.000 0.465 98 F N 2.602 122.235 119.950 -0.529 0.000 2.508 98 F HA 0.470 4.997 4.527 -0.000 0.000 0.325 98 F C 0.372 175.845 175.800 -0.546 0.000 1.090 98 F CA -0.864 56.754 58.000 -0.636 0.000 0.945 98 F CB 1.724 40.030 39.000 -1.157 0.000 1.156 98 F HN 0.270 nan 8.300 nan 0.000 0.463 99 R N 1.210 121.649 120.500 -0.102 0.000 2.474 99 R HA 0.756 5.096 4.340 -0.000 0.000 0.295 99 R C -0.214 176.145 176.300 0.099 0.000 0.980 99 R CA -0.902 55.194 56.100 -0.007 0.000 0.934 99 R CB 1.695 31.994 30.300 -0.001 0.000 1.101 99 R HN 0.868 nan 8.270 nan 0.000 0.469 100 G N 1.822 110.738 108.800 0.194 0.000 2.612 100 G HA2 0.665 4.625 3.960 -0.000 0.000 0.298 100 G HA3 0.665 4.625 3.960 -0.000 0.000 0.298 100 G C -1.509 173.475 174.900 0.140 0.000 1.336 100 G CA -0.538 44.700 45.100 0.231 0.000 0.953 100 G HN 0.513 nan 8.290 nan 0.000 0.482 101 I N 1.046 121.673 120.570 0.095 0.000 2.722 101 I HA 0.648 4.818 4.170 -0.000 0.000 0.295 101 I C -0.838 175.296 176.117 0.029 0.000 1.161 101 I CA -0.787 60.544 61.300 0.052 0.000 1.032 101 I CB 2.238 40.264 38.000 0.044 0.000 1.244 101 I HN 0.362 nan 8.210 nan 0.000 0.421 105 G N 3.677 112.484 108.800 0.011 0.000 2.574 105 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.301 105 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.301 105 G C 0.588 175.495 174.900 0.011 0.000 1.166 105 G CA 1.052 46.158 45.100 0.011 0.000 0.971 105 G HN 1.482 nan 8.290 nan 0.000 0.542 106 D N 1.432 121.838 120.400 0.011 0.000 2.339 106 D HA 0.421 5.061 4.640 -0.000 0.000 0.217 106 D C 0.840 177.147 176.300 0.011 0.000 1.050 106 D CA 1.328 55.334 54.000 0.011 0.000 0.856 106 D CB -0.042 40.764 40.800 0.009 0.000 0.922 106 D HN 0.538 nan 8.370 nan 0.000 0.518 107 E N 0.638 120.845 120.200 0.013 0.000 2.115 107 E HA 0.247 4.597 4.350 -0.000 0.000 0.282 107 E C -0.529 176.081 176.600 0.016 0.000 0.987 107 E CA -0.456 55.952 56.400 0.014 0.000 0.797 107 E CB 1.842 31.551 29.700 0.015 0.000 1.086 107 E HN 0.372 nan 8.360 nan 0.000 0.397 108 K N 3.830 124.240 120.400 0.017 0.000 2.412 108 K HA 0.025 4.345 4.320 -0.000 0.000 0.284 108 K C 0.723 177.339 176.600 0.027 0.000 1.046 108 K CA -0.136 56.163 56.287 0.019 0.000 0.999 108 K CB 0.381 32.892 32.500 0.020 0.000 0.941 108 K HN 0.370 nan 8.250 nan 0.000 0.474 109 I N 4.018 124.601 120.570 0.023 0.000 2.729 109 I HA 0.106 4.276 4.170 -0.000 0.000 0.256 109 I C 0.469 176.607 176.117 0.035 0.000 1.115 109 I CA 0.486 61.809 61.300 0.039 0.000 1.446 109 I CB -0.490 37.515 38.000 0.008 0.000 1.176 109 I HN 0.596 nan 8.210 nan 0.000 0.446 110 L N 1.065 122.275 121.223 -0.022 0.000 2.513 110 L HA 0.366 4.706 4.340 -0.000 0.000 0.261 110 L C -1.151 175.709 176.870 -0.016 0.000 0.945 110 L CA -0.338 54.469 54.840 -0.055 0.000 0.848 110 L CB 2.240 44.182 42.059 -0.196 0.000 1.334 110 L HN 0.256 nan 8.230 nan 0.000 0.407 111 E N 4.145 124.351 120.200 0.010 0.000 2.256 111 E HA 0.893 5.243 4.350 -0.000 0.000 0.267 111 E C -1.459 175.178 176.600 0.062 0.000 0.892 111 E CA -1.069 55.354 56.400 0.039 0.000 0.775 111 E CB 2.511 32.237 29.700 0.042 0.000 1.207 111 E HN 0.720 nan 8.360 nan 0.000 0.420 112 A N 1.869 124.761 122.820 0.121 0.000 2.556 112 A HA 0.620 4.940 4.320 -0.000 0.000 0.294 112 A C -1.377 176.366 177.584 0.265 0.000 1.091 112 A CA -0.746 51.413 52.037 0.204 0.000 0.704 112 A CB 2.138 21.288 19.000 0.251 0.000 1.300 112 A HN 0.731 nan 8.150 nan 0.000 0.406 113 E N 0.456 120.836 120.200 0.299 0.000 2.278 113 E HA 0.643 4.993 4.350 -0.000 0.000 0.272 113 E C -1.778 175.017 176.600 0.325 0.000 0.890 113 E CA -0.449 56.068 56.400 0.195 0.000 0.770 113 E CB 1.317 31.070 29.700 0.089 0.000 1.212 113 E HN 0.742 nan 8.360 nan 0.000 0.415 114 F N 0.880 120.915 119.950 0.143 0.000 2.711 114 F HA 0.728 5.255 4.527 -0.000 0.000 0.313 114 F C -1.800 174.092 175.800 0.154 0.000 1.141 114 F CA -1.036 57.039 58.000 0.127 0.000 0.941 114 F CB 0.906 39.985 39.000 0.131 0.000 1.349 114 F HN 0.037 nan 8.300 nan 0.000 0.464 115 V N 1.835 121.909 119.914 0.266 0.000 2.588 115 V HA 0.598 4.718 4.120 -0.000 0.000 0.304 115 V C -0.470 175.734 176.094 0.183 0.000 1.042 115 V CA -0.818 61.576 62.300 0.156 0.000 0.877 115 V CB 1.845 33.713 31.823 0.075 0.000 0.996 115 V HN 0.787 nan 8.190 nan 0.000 0.425 116 R N 2.329 122.950 120.500 0.201 0.000 2.604 116 R HA 0.834 5.174 4.340 -0.000 0.000 0.287 116 R C -0.437 175.895 176.300 0.054 0.000 0.970 116 R CA -0.619 55.564 56.100 0.137 0.000 0.946 116 R CB 2.221 32.647 30.300 0.210 0.000 1.127 116 R HN 0.800 nan 8.270 nan 0.000 0.473 117 A N 3.646 126.483 122.820 0.028 0.000 2.271 117 A HA 0.441 4.761 4.320 -0.000 0.000 0.317 117 A C -0.069 177.502 177.584 -0.022 0.000 1.245 117 A CA -0.674 51.360 52.037 -0.005 0.000 0.857 117 A CB 0.378 19.387 19.000 0.016 0.000 1.175 117 A HN 0.664 nan 8.150 nan 0.000 0.512 118 I N 3.020 123.521 120.570 -0.115 0.000 2.352 118 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 118 I C -0.596 175.556 176.117 0.057 0.000 1.036 118 I CA -0.106 61.106 61.300 -0.146 0.000 1.336 118 I CB 1.152 38.757 38.000 -0.657 0.000 1.407 118 I HN 0.307 nan 8.210 nan 0.000 0.497 119 V N 7.555 127.566 119.914 0.162 0.000 2.888 119 V HA 0.352 4.472 4.120 -0.000 0.000 0.309 119 V C -2.445 173.647 176.094 -0.004 0.000 1.114 119 V CA -1.858 60.513 62.300 0.118 0.000 0.940 119 V CB 2.241 34.095 31.823 0.051 0.000 1.021 119 V HN 0.516 nan 8.190 nan 0.000 0.426 120 P HA 0.232 nan 4.420 nan 0.000 0.266 120 P C 0.579 177.779 177.300 -0.165 0.000 1.195 120 P CA 0.069 62.895 63.100 -0.457 0.000 0.768 120 P CB 0.626 32.059 31.700 -0.446 0.000 0.838 121 R N 1.715 122.147 120.500 -0.113 0.000 2.091 121 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 121 R C 1.855 178.129 176.300 -0.042 0.000 1.136 121 R CA 1.486 57.563 56.100 -0.038 0.000 0.959 121 R CB -0.361 29.935 30.300 -0.006 0.000 0.856 121 R HN 0.504 nan 8.270 nan 0.000 0.437 122 E N 1.171 121.335 120.200 -0.060 0.000 2.118 122 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 122 E C 1.721 178.299 176.600 -0.037 0.000 0.992 122 E CA 1.501 57.875 56.400 -0.043 0.000 0.804 122 E CB 0.019 29.692 29.700 -0.045 0.000 0.741 122 E HN 0.010 nan 8.360 nan 0.000 0.458 123 K N -0.192 120.178 120.400 -0.050 0.000 2.057 123 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 123 K C 1.917 178.507 176.600 -0.017 0.000 1.049 123 K CA 1.075 57.343 56.287 -0.031 0.000 0.931 123 K CB -0.666 31.814 32.500 -0.034 0.000 0.714 123 K HN 0.212 nan 8.250 nan 0.000 0.440 124 L N 1.202 122.415 121.223 -0.016 0.000 2.046 124 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 124 L C 2.175 179.041 176.870 -0.007 0.000 1.077 124 L CA 1.644 56.481 54.840 -0.006 0.000 0.747 124 L CB -0.508 41.551 42.059 -0.000 0.000 0.896 124 L HN 0.174 nan 8.230 nan 0.000 0.432 125 R N -1.144 119.350 120.500 -0.010 0.000 2.082 125 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 125 R C 2.381 178.677 176.300 -0.007 0.000 1.136 125 R CA 1.731 57.826 56.100 -0.008 0.000 0.935 125 R CB -0.506 29.788 30.300 -0.010 0.000 0.842 125 R HN 0.280 nan 8.270 nan 0.000 0.430 126 R N 0.737 121.232 120.500 -0.008 0.000 2.112 126 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 126 R C 2.445 178.744 176.300 -0.003 0.000 1.137 126 R CA 1.747 57.844 56.100 -0.006 0.000 0.944 126 R CB -0.614 29.682 30.300 -0.007 0.000 0.857 126 R HN 0.203 nan 8.270 nan 0.000 0.435 127 L N -0.123 121.098 121.223 -0.002 0.000 2.021 127 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 127 L C 2.665 179.535 176.870 -0.000 0.000 1.074 127 L CA 1.593 56.433 54.840 0.000 0.000 0.760 127 L CB -0.609 41.451 42.059 0.002 0.000 0.889 127 L HN 0.326 nan 8.230 nan 0.000 0.433 128 A N -0.125 122.694 122.820 -0.002 0.000 1.940 128 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 128 A C 2.551 180.134 177.584 -0.002 0.000 1.176 128 A CA 2.063 54.098 52.037 -0.002 0.000 0.631 128 A CB -1.238 17.760 19.000 -0.004 0.000 0.814 128 A HN 0.336 nan 8.150 nan 0.000 0.446 129 L N -0.610 120.611 121.223 -0.002 0.000 2.127 129 L HA 0.208 4.548 4.340 -0.000 0.000 0.211 129 L C 1.846 178.716 176.870 -0.001 0.000 1.089 129 L CA 2.528 57.367 54.840 -0.002 0.000 0.757 129 L CB -2.579 39.479 42.059 -0.002 0.000 0.899 129 L HN 0.832 nan 8.230 nan 0.000 0.434 130 E N 0.000 120.200 120.200 -0.000 0.000 2.725 130 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 130 E CA 0.000 56.401 56.400 0.001 0.000 0.976 130 E CB 0.000 29.701 29.700 0.002 0.000 0.812 130 E HN 0.000 nan 8.360 nan 0.000 0.440