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 1v2g_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTLLILGDS LSAGYRMSAS AAWPALLNDK WXSKTSVVNA SISGDTSQQG DATA SEQUENCE LARLPALLKQ HQPRWVLVEL GGNDGLRGFQ PQQTEQTLRQ ILQDVKAANA DATA SEQUENCE EPLLMQIRPP ANYGRRYNEA FSAIYPKLAK EFDVPLLPFF MEEVYLKPQW DATA SEQUENCE MQDDGIHPNR DAQPFIADWM AKQLQPLVN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.009 19.000 0.016 0.000 0.831 2 D N 0.986 121.422 120.400 0.059 0.000 2.312 2 D HA 0.567 5.207 4.640 -0.000 0.000 0.248 2 D C -0.320 176.059 176.300 0.132 0.000 1.086 2 D CA 0.650 54.656 54.000 0.010 0.000 0.948 2 D CB 1.257 42.004 40.800 -0.088 0.000 1.162 2 D HN 0.110 nan 8.370 nan 0.000 0.446 3 T N 1.091 115.683 114.554 0.063 0.000 2.807 3 T HA 0.418 4.768 4.350 -0.000 0.000 0.279 3 T C -0.627 174.260 174.700 0.313 0.000 0.993 3 T CA -0.599 61.606 62.100 0.177 0.000 0.970 3 T CB 1.053 69.975 68.868 0.090 0.000 0.950 3 T HN 0.112 nan 8.240 nan 0.000 0.441 4 L N 4.893 126.365 121.223 0.415 0.000 2.265 4 L HA 0.698 5.038 4.340 -0.000 0.000 0.289 4 L C -1.087 175.912 176.870 0.216 0.000 1.033 4 L CA -0.801 54.316 54.840 0.461 0.000 0.814 4 L CB 0.729 43.049 42.059 0.435 0.000 1.203 4 L HN 0.527 nan 8.230 nan 0.000 0.423 5 L N 6.592 127.919 121.223 0.173 0.000 2.289 5 L HA 0.579 4.919 4.340 -0.000 0.000 0.285 5 L C -0.783 176.140 176.870 0.088 0.000 1.049 5 L CA 0.049 54.927 54.840 0.064 0.000 0.804 5 L CB 0.954 43.044 42.059 0.051 0.000 1.195 5 L HN 0.586 nan 8.230 nan 0.000 0.428 6 I N 6.270 126.863 120.570 0.038 0.000 2.330 6 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 6 I C -0.897 175.249 176.117 0.049 0.000 1.001 6 I CA -0.624 60.713 61.300 0.060 0.000 1.193 6 I CB 1.580 39.581 38.000 0.001 0.000 1.345 6 I HN 0.459 nan 8.210 nan 0.000 0.461 7 L N 7.490 128.765 121.223 0.086 0.000 2.313 7 L HA 0.752 5.092 4.340 -0.000 0.000 0.273 7 L C 0.024 176.959 176.870 0.108 0.000 1.028 7 L CA 0.356 55.244 54.840 0.080 0.000 0.871 7 L CB 0.575 42.679 42.059 0.075 0.000 1.242 7 L HN 0.654 nan 8.230 nan 0.000 0.434 8 G N 2.417 111.281 108.800 0.106 0.000 2.870 8 G HA2 0.548 4.507 3.960 -0.000 0.000 0.299 8 G HA3 0.548 4.507 3.960 -0.000 0.000 0.299 8 G C -1.399 173.582 174.900 0.135 0.000 1.324 8 G CA -0.120 45.068 45.100 0.147 0.000 0.808 8 G HN 0.500 nan 8.290 nan 0.000 0.535 9 D N -1.661 118.843 120.400 0.174 0.000 2.494 9 D HA 0.434 5.074 4.640 -0.000 0.000 0.256 9 D C 1.700 178.113 176.300 0.188 0.000 1.197 9 D CA 0.385 54.488 54.000 0.170 0.000 1.096 9 D CB 0.118 41.030 40.800 0.187 0.000 1.191 9 D HN 0.290 nan 8.370 nan 0.000 0.608 10 S N -1.453 114.379 115.700 0.221 0.000 2.400 10 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 10 S C 1.932 176.713 174.600 0.301 0.000 1.025 10 S CA 0.794 59.141 58.200 0.245 0.000 0.993 10 S CB -0.731 62.647 63.200 0.296 0.000 0.808 10 S HN 0.404 nan 8.310 nan 0.000 0.478 11 L N 0.549 121.988 121.223 0.360 0.000 2.187 11 L HA -0.071 4.269 4.340 -0.000 0.000 0.213 11 L C 2.351 179.578 176.870 0.595 0.000 1.100 11 L CA 1.263 56.398 54.840 0.493 0.000 0.765 11 L CB -0.386 41.954 42.059 0.468 0.000 0.904 11 L HN 0.328 nan 8.230 nan 0.000 0.437 12 S N -1.087 114.838 115.700 0.375 0.000 2.497 12 S HA 0.177 4.647 4.470 -0.000 0.000 0.221 12 S C 1.989 176.494 174.600 -0.158 0.000 1.037 12 S CA 0.507 58.768 58.200 0.102 0.000 0.920 12 S CB 0.501 63.771 63.200 0.117 0.000 0.800 12 S HN 0.397 nan 8.310 nan 0.000 0.505 13 A N 1.168 123.981 122.820 -0.011 0.000 2.016 13 A HA 0.532 4.851 4.320 -0.000 0.000 0.217 13 A C 1.204 178.762 177.584 -0.043 0.000 1.162 13 A CA 0.815 52.822 52.037 -0.050 0.000 0.662 13 A CB -0.693 18.313 19.000 0.009 0.000 0.812 13 A HN 0.941 nan 8.150 nan 0.000 0.450 14 G N -2.254 106.569 108.800 0.039 0.000 2.907 14 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.686 14 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.686 14 G C -0.710 174.247 174.900 0.096 0.000 1.115 14 G CA -0.206 44.933 45.100 0.064 0.000 0.760 14 G HN 0.981 nan 8.290 nan 0.000 0.620 15 Y N 3.568 123.850 120.300 -0.029 0.000 2.331 15 Y HA 0.603 5.153 4.550 -0.000 0.000 0.338 15 Y C 1.492 177.337 175.900 -0.091 0.000 0.976 15 Y CA -0.366 57.651 58.100 -0.137 0.000 1.137 15 Y CB 0.760 39.004 38.460 -0.359 0.000 1.172 15 Y HN 0.894 nan 8.280 nan 0.000 0.478 16 R N 4.591 124.767 120.500 -0.540 0.000 3.525 16 R HA -0.212 4.128 4.340 -0.000 0.000 0.276 16 R C -1.034 175.174 176.300 -0.154 0.000 1.116 16 R CA 1.231 57.096 56.100 -0.392 0.000 0.745 16 R CB -1.951 28.087 30.300 -0.438 0.000 1.185 16 R HN 0.819 nan 8.270 nan 0.000 0.454 17 M N -3.099 116.437 119.600 -0.108 0.000 2.644 17 M HA 0.471 4.951 4.480 -0.000 0.000 0.273 17 M C -0.092 176.171 176.300 -0.062 0.000 1.253 17 M CA -0.907 54.358 55.300 -0.058 0.000 0.852 17 M CB 2.074 34.662 32.600 -0.020 0.000 1.708 17 M HN 0.008 nan 8.290 nan 0.000 0.471 18 S N 1.006 116.674 115.700 -0.054 0.000 2.614 18 S HA 0.622 5.092 4.470 -0.000 0.000 0.265 18 S C 1.063 175.624 174.600 -0.066 0.000 1.303 18 S CA -0.118 58.048 58.200 -0.056 0.000 1.000 18 S CB 1.313 64.484 63.200 -0.049 0.000 0.935 18 S HN 1.016 nan 8.310 nan 0.000 0.551 19 A N 1.753 124.531 122.820 -0.071 0.000 1.940 19 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 19 A C 2.462 179.982 177.584 -0.107 0.000 1.176 19 A CA 2.047 54.027 52.037 -0.095 0.000 0.631 19 A CB -1.714 17.234 19.000 -0.087 0.000 0.814 19 A HN 1.440 nan 8.150 nan 0.000 0.446 20 S N -0.193 115.458 115.700 -0.082 0.000 2.442 20 S HA 0.091 4.561 4.470 -0.000 0.000 0.236 20 S C 1.790 176.341 174.600 -0.081 0.000 1.007 20 S CA 1.257 59.410 58.200 -0.079 0.000 0.965 20 S CB -0.417 62.749 63.200 -0.058 0.000 0.773 20 S HN 0.912 nan 8.310 nan 0.000 0.504 21 A N 1.031 123.806 122.820 -0.074 0.000 2.132 21 A HA 0.716 5.035 4.320 -0.000 0.000 0.213 21 A C 1.229 178.770 177.584 -0.072 0.000 1.154 21 A CA 0.358 52.358 52.037 -0.062 0.000 0.753 21 A CB -0.703 18.272 19.000 -0.041 0.000 0.826 21 A HN 0.817 nan 8.150 nan 0.000 0.469 22 A N 0.198 122.950 122.820 -0.113 0.000 2.425 22 A HA 0.360 4.680 4.320 -0.000 0.000 0.249 22 A C 1.129 178.573 177.584 -0.234 0.000 1.084 22 A CA -0.067 51.868 52.037 -0.169 0.000 0.781 22 A CB -0.195 18.652 19.000 -0.254 0.000 1.019 22 A HN 0.858 nan 8.150 nan 0.000 0.490 23 W N 1.680 122.887 121.300 -0.155 0.000 2.313 23 W HA -0.131 4.529 4.660 -0.000 0.000 0.293 23 W C -1.890 174.503 176.519 -0.210 0.000 1.216 23 W CA 1.642 58.859 57.345 -0.213 0.000 1.223 23 W CB -2.218 27.065 29.460 -0.295 0.000 1.138 23 W HN 0.517 nan 8.180 nan 0.000 0.535 24 P HA -0.062 nan 4.420 nan 0.000 0.221 24 P C 2.160 179.252 177.300 -0.347 0.000 1.150 24 P CA 3.282 65.939 63.100 -0.738 0.000 0.800 24 P CB -0.283 30.830 31.700 -0.979 0.000 0.787 25 A N -0.430 122.216 122.820 -0.289 0.000 1.897 25 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 25 A C 2.122 179.622 177.584 -0.141 0.000 1.181 25 A CA 1.232 53.162 52.037 -0.179 0.000 0.620 25 A CB -1.578 17.332 19.000 -0.150 0.000 0.821 25 A HN 0.095 nan 8.150 nan 0.000 0.443 26 L N -0.892 120.249 121.223 -0.136 0.000 2.083 26 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 26 L C 2.543 179.320 176.870 -0.155 0.000 1.083 26 L CA 1.021 55.789 54.840 -0.120 0.000 0.752 26 L CB -0.586 41.410 42.059 -0.105 0.000 0.899 26 L HN 0.457 nan 8.230 nan 0.000 0.433 27 L N 0.329 121.439 121.223 -0.188 0.000 2.027 27 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 27 L C 2.306 178.970 176.870 -0.343 0.000 1.074 27 L CA 1.775 56.400 54.840 -0.358 0.000 0.745 27 L CB -0.929 40.909 42.059 -0.367 0.000 0.898 27 L HN 0.298 nan 8.230 nan 0.000 0.433 28 N N -0.562 118.032 118.700 -0.177 0.000 2.069 28 N HA -0.240 4.500 4.740 -0.000 0.000 0.191 28 N C 1.329 176.843 175.510 0.007 0.000 1.031 28 N CA 1.827 54.856 53.050 -0.034 0.000 0.852 28 N CB -0.114 38.352 38.487 -0.034 0.000 1.018 28 N HN 0.424 nan 8.380 nan 0.000 0.423 29 D N 0.665 121.041 120.400 -0.040 0.000 2.178 29 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 29 D C 1.782 178.086 176.300 0.007 0.000 0.980 29 D CA 0.865 54.856 54.000 -0.016 0.000 0.842 29 D CB -0.156 40.620 40.800 -0.041 0.000 0.948 29 D HN 0.404 nan 8.370 nan 0.000 0.472 30 K N -0.870 119.509 120.400 -0.035 0.000 2.217 30 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 30 K C 0.385 177.109 176.600 0.207 0.000 1.051 30 K CA 0.446 56.735 56.287 0.004 0.000 0.952 30 K CB 0.300 32.724 32.500 -0.127 0.000 0.736 30 K HN -0.028 nan 8.250 nan 0.000 0.453 34 K N 2.775 123.206 120.400 0.052 0.000 1.973 34 K HA 0.212 4.531 4.320 -0.000 0.000 0.212 34 K C 0.156 176.761 176.600 0.008 0.000 1.047 34 K CA 2.049 58.331 56.287 -0.008 0.000 0.937 34 K CB -0.414 32.026 32.500 -0.101 0.000 0.721 34 K HN 0.499 nan 8.250 nan 0.000 0.440 35 T N -0.396 114.181 114.554 0.038 0.000 2.824 35 T HA 0.273 4.623 4.350 -0.000 0.000 0.282 35 T C -1.070 173.776 174.700 0.244 0.000 0.993 35 T CA -0.712 61.462 62.100 0.124 0.000 0.967 35 T CB 1.700 70.556 68.868 -0.019 0.000 0.960 35 T HN 0.070 nan 8.240 nan 0.000 0.441 36 S N 2.417 118.246 115.700 0.215 0.000 2.465 36 S HA 0.458 4.928 4.470 -0.000 0.000 0.279 36 S C -0.225 174.488 174.600 0.188 0.000 1.201 36 S CA -0.628 57.676 58.200 0.173 0.000 1.053 36 S CB 0.037 63.306 63.200 0.116 0.000 0.953 36 S HN 0.482 nan 8.310 nan 0.000 0.488 37 V N 6.641 126.640 119.914 0.142 0.000 2.333 37 V HA 0.377 4.497 4.120 -0.000 0.000 0.274 37 V C -0.214 175.869 176.094 -0.018 0.000 1.028 37 V CA -0.701 61.651 62.300 0.087 0.000 0.851 37 V CB 1.315 33.162 31.823 0.040 0.000 1.000 37 V HN 0.712 nan 8.190 nan 0.000 0.456 38 V N 4.549 124.425 119.914 -0.062 0.000 2.350 38 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 38 V C 0.303 176.304 176.094 -0.155 0.000 1.028 38 V CA -0.576 61.624 62.300 -0.167 0.000 0.860 38 V CB 1.475 33.062 31.823 -0.393 0.000 0.990 38 V HN 0.850 nan 8.190 nan 0.000 0.453 39 N N 4.394 123.004 118.700 -0.150 0.000 2.482 39 N HA 0.333 5.073 4.740 -0.000 0.000 0.242 39 N C 0.245 175.693 175.510 -0.102 0.000 1.100 39 N CA -0.188 52.770 53.050 -0.155 0.000 0.946 39 N CB 1.273 39.632 38.487 -0.213 0.000 1.227 39 N HN 0.777 nan 8.380 nan 0.000 0.508 40 A N 2.331 125.110 122.820 -0.068 0.000 3.282 40 A HA 0.361 4.681 4.320 -0.000 0.000 0.287 40 A C -0.167 177.420 177.584 0.005 0.000 1.366 40 A CA -0.475 51.551 52.037 -0.018 0.000 1.069 40 A CB -0.258 18.748 19.000 0.010 0.000 1.109 40 A HN 0.434 nan 8.150 nan 0.000 0.638 41 S N 0.073 115.766 115.700 -0.012 0.000 2.501 41 S HA 0.760 5.229 4.470 -0.000 0.000 0.301 41 S C -0.432 174.183 174.600 0.025 0.000 1.096 41 S CA -0.320 57.891 58.200 0.018 0.000 1.063 41 S CB 1.287 64.492 63.200 0.007 0.000 1.042 41 S HN 0.435 nan 8.310 nan 0.000 0.494 42 I N 1.622 122.224 120.570 0.053 0.000 2.499 42 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 42 I C -0.074 176.093 176.117 0.084 0.000 1.048 42 I CA -0.574 60.759 61.300 0.054 0.000 1.062 42 I CB 2.158 40.189 38.000 0.051 0.000 1.238 42 I HN 0.458 nan 8.210 nan 0.000 0.426 43 S N 3.538 119.289 115.700 0.085 0.000 2.558 43 S HA 0.237 4.707 4.470 -0.000 0.000 0.288 43 S C 1.175 175.855 174.600 0.133 0.000 1.318 43 S CA 0.949 59.227 58.200 0.129 0.000 1.056 43 S CB 0.753 64.025 63.200 0.120 0.000 0.853 43 S HN 1.154 nan 8.310 nan 0.000 0.505 44 G N 2.615 111.516 108.800 0.169 0.000 2.205 44 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 44 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 44 G C -0.226 174.759 174.900 0.141 0.000 0.980 44 G CA 0.187 45.382 45.100 0.158 0.000 0.632 44 G HN 0.677 nan 8.290 nan 0.000 0.533 45 D N 1.696 122.173 120.400 0.129 0.000 2.455 45 D HA 0.486 5.126 4.640 -0.000 0.000 0.241 45 D C 1.335 177.709 176.300 0.124 0.000 1.138 45 D CA 1.170 55.239 54.000 0.116 0.000 0.877 45 D CB 0.857 41.716 40.800 0.099 0.000 1.187 45 D HN 0.490 nan 8.370 nan 0.000 0.451 46 T N -1.268 113.354 114.554 0.114 0.000 2.912 46 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 46 T C 1.492 176.211 174.700 0.032 0.000 0.989 46 T CA -0.227 61.929 62.100 0.093 0.000 0.995 46 T CB 1.259 70.196 68.868 0.115 0.000 1.077 46 T HN 0.245 nan 8.240 nan 0.000 0.531 47 S N -0.156 115.526 115.700 -0.031 0.000 2.383 47 S HA -0.271 4.199 4.470 -0.000 0.000 0.229 47 S C 2.012 176.570 174.600 -0.070 0.000 1.030 47 S CA 1.359 59.529 58.200 -0.050 0.000 1.002 47 S CB -0.851 62.288 63.200 -0.102 0.000 0.829 47 S HN 0.825 nan 8.310 nan 0.000 0.467 48 Q N 1.115 120.841 119.800 -0.124 0.000 2.046 48 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 48 Q C 2.433 178.441 176.000 0.014 0.000 0.975 48 Q CA 1.489 57.256 55.803 -0.061 0.000 0.836 48 Q CB -0.261 28.453 28.738 -0.041 0.000 0.896 48 Q HN 0.724 nan 8.270 nan 0.000 0.428 49 Q N -0.720 119.106 119.800 0.043 0.000 2.181 49 Q HA -0.135 4.205 4.340 -0.000 0.000 0.205 49 Q C 1.966 177.995 176.000 0.048 0.000 0.980 49 Q CA 1.165 57.003 55.803 0.059 0.000 0.862 49 Q CB -0.187 28.598 28.738 0.078 0.000 0.905 49 Q HN 0.559 nan 8.270 nan 0.000 0.429 50 G N 0.986 109.810 108.800 0.041 0.000 2.394 50 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 50 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 50 G C 1.374 176.293 174.900 0.031 0.000 1.165 50 G CA 0.494 45.620 45.100 0.043 0.000 0.784 50 G HN 0.275 nan 8.290 nan 0.000 0.535 51 L N 1.553 122.786 121.223 0.016 0.000 2.083 51 L HA 0.145 4.485 4.340 -0.000 0.000 0.209 51 L C 2.904 179.786 176.870 0.020 0.000 1.083 51 L CA 2.114 56.960 54.840 0.009 0.000 0.752 51 L CB -0.708 41.347 42.059 -0.007 0.000 0.899 51 L HN 0.214 nan 8.230 nan 0.000 0.433 52 A N -0.366 122.470 122.820 0.027 0.000 2.019 52 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 52 A C 2.363 179.966 177.584 0.032 0.000 1.164 52 A CA 1.701 53.757 52.037 0.031 0.000 0.644 52 A CB -0.478 18.544 19.000 0.038 0.000 0.805 52 A HN 0.580 nan 8.150 nan 0.000 0.449 53 R N -1.417 119.105 120.500 0.036 0.000 2.223 53 R HA 0.140 4.480 4.340 -0.000 0.000 0.198 53 R C 1.865 178.191 176.300 0.043 0.000 0.984 53 R CA 0.431 56.555 56.100 0.040 0.000 1.018 53 R CB -0.378 29.950 30.300 0.047 0.000 0.945 53 R HN 0.422 nan 8.270 nan 0.000 0.479 54 L N 2.474 123.721 121.223 0.039 0.000 1.978 54 L HA -0.126 4.214 4.340 -0.000 0.000 0.218 54 L C -0.972 175.921 176.870 0.038 0.000 1.075 54 L CA 2.175 57.039 54.840 0.041 0.000 0.767 54 L CB -1.132 40.944 42.059 0.029 0.000 0.890 54 L HN -0.032 nan 8.230 nan 0.000 0.434 55 P HA -0.254 nan 4.420 nan 0.000 0.217 55 P C 1.582 178.893 177.300 0.017 0.000 1.162 55 P CA 2.510 65.623 63.100 0.021 0.000 0.901 55 P CB -0.269 31.441 31.700 0.017 0.000 0.793 56 A N -0.991 121.839 122.820 0.017 0.000 1.877 56 A HA -0.182 4.137 4.320 -0.000 0.000 0.216 56 A C 2.262 179.847 177.584 0.002 0.000 1.186 56 A CA 1.608 53.647 52.037 0.003 0.000 0.620 56 A CB -1.693 17.310 19.000 0.005 0.000 0.822 56 A HN 0.106 nan 8.150 nan 0.000 0.443 57 L N -0.701 120.552 121.223 0.049 0.000 2.042 57 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 57 L C 2.599 179.541 176.870 0.121 0.000 1.076 57 L CA 1.149 56.068 54.840 0.132 0.000 0.749 57 L CB -0.552 41.614 42.059 0.179 0.000 0.893 57 L HN 0.385 nan 8.230 nan 0.000 0.432 58 L N -0.330 120.936 121.223 0.072 0.000 2.005 58 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 58 L C 2.669 179.552 176.870 0.022 0.000 1.072 58 L CA 1.402 56.275 54.840 0.055 0.000 0.744 58 L CB -0.466 41.614 42.059 0.035 0.000 0.895 58 L HN 0.211 nan 8.230 nan 0.000 0.433 59 K N -0.330 120.069 120.400 -0.002 0.000 2.283 59 K HA -0.243 4.077 4.320 -0.000 0.000 0.202 59 K C 2.141 178.708 176.600 -0.056 0.000 1.048 59 K CA 1.242 57.515 56.287 -0.023 0.000 0.948 59 K CB 0.186 32.673 32.500 -0.022 0.000 0.742 59 K HN 0.127 nan 8.250 nan 0.000 0.458 60 Q N -0.483 119.254 119.800 -0.105 0.000 2.134 60 Q HA -0.070 4.270 4.340 -0.000 0.000 0.195 60 Q C 1.345 177.176 176.000 -0.281 0.000 0.958 60 Q CA 1.492 57.153 55.803 -0.237 0.000 0.840 60 Q CB 0.154 28.658 28.738 -0.390 0.000 0.918 60 Q HN 0.421 nan 8.270 nan 0.000 0.467 61 H N 0.310 119.382 119.070 0.003 0.000 2.595 61 H HA 0.222 4.778 4.556 0.000 0.000 0.265 61 H C -0.062 175.262 175.328 -0.007 0.000 0.953 61 H CA 0.709 56.760 56.048 0.005 0.000 1.197 61 H CB 0.279 30.051 29.762 0.017 0.000 1.438 61 H HN 0.388 nan 8.280 nan 0.000 0.531 62 Q N 1.165 121.012 119.800 0.078 0.000 2.417 62 Q HA -0.130 4.210 4.340 -0.000 0.000 0.350 62 Q C -2.216 173.785 176.000 0.002 0.000 1.364 62 Q CA -0.105 55.711 55.803 0.021 0.000 1.024 62 Q CB -1.248 27.486 28.738 -0.006 0.000 1.235 62 Q HN 0.456 nan 8.270 nan 0.000 0.388 63 P HA -0.045 nan 4.420 nan 0.000 0.272 63 P C -0.051 177.158 177.300 -0.152 0.000 1.223 63 P CA 0.002 63.088 63.100 -0.022 0.000 0.784 63 P CB 1.004 32.737 31.700 0.056 0.000 0.923 64 R N 1.946 122.220 120.500 -0.377 0.000 2.100 64 R HA 0.053 4.393 4.340 -0.000 0.000 0.220 64 R C 0.082 175.996 176.300 -0.644 0.000 1.091 64 R CA 0.874 56.536 56.100 -0.729 0.000 0.986 64 R CB 0.238 29.671 30.300 -1.445 0.000 0.888 64 R HN 0.568 nan 8.270 nan 0.000 0.444 65 W N 0.236 121.562 121.300 0.043 0.000 2.915 65 W HA 0.480 5.141 4.660 0.001 0.000 0.337 65 W C -1.316 175.238 176.519 0.058 0.000 1.102 65 W CA -0.915 56.461 57.345 0.051 0.000 1.224 65 W CB 1.445 30.942 29.460 0.062 0.000 1.416 65 W HN -0.379 nan 8.180 nan 0.000 0.503 66 V N 4.368 124.446 119.914 0.273 0.000 2.407 66 V HA 0.189 4.309 4.120 -0.000 0.000 0.291 66 V C -0.418 175.781 176.094 0.175 0.000 1.018 66 V CA -0.769 61.643 62.300 0.187 0.000 0.842 66 V CB 1.635 33.526 31.823 0.114 0.000 0.996 66 V HN 0.373 nan 8.190 nan 0.000 0.426 67 L N 7.451 128.782 121.223 0.180 0.000 2.278 67 L HA 0.515 4.854 4.340 -0.000 0.000 0.287 67 L C -0.233 176.734 176.870 0.162 0.000 1.072 67 L CA 0.431 55.379 54.840 0.180 0.000 0.819 67 L CB 1.212 43.402 42.059 0.218 0.000 1.176 67 L HN 0.443 nan 8.230 nan 0.000 0.435 68 V N 5.629 125.631 119.914 0.146 0.000 2.364 68 V HA 0.401 4.521 4.120 -0.000 0.000 0.272 68 V C 0.195 176.392 176.094 0.172 0.000 1.036 68 V CA -0.488 61.892 62.300 0.132 0.000 0.880 68 V CB 1.027 32.902 31.823 0.087 0.000 0.991 68 V HN 0.767 nan 8.190 nan 0.000 0.460 69 E N 6.520 126.834 120.200 0.189 0.000 3.108 69 E HA 0.492 4.842 4.350 -0.000 0.000 0.228 69 E C -1.654 175.063 176.600 0.195 0.000 1.176 69 E CA -0.154 56.377 56.400 0.218 0.000 0.881 69 E CB 0.888 30.777 29.700 0.316 0.000 1.354 69 E HN 0.671 nan 8.360 nan 0.000 0.400 70 L N 0.172 121.505 121.223 0.184 0.000 2.409 70 L HA 0.674 5.014 4.340 -0.000 0.000 0.255 70 L C 0.842 177.856 176.870 0.239 0.000 1.027 70 L CA -0.350 54.596 54.840 0.177 0.000 0.834 70 L CB 2.302 44.435 42.059 0.123 0.000 1.426 70 L HN 0.525 nan 8.230 nan 0.000 0.411 71 G N 0.085 109.034 108.800 0.249 0.000 2.428 71 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.199 71 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.199 71 G C 0.899 176.093 174.900 0.489 0.000 1.005 71 G CA 0.196 45.539 45.100 0.406 0.000 0.671 71 G HN 0.951 nan 8.290 nan 0.000 0.485 72 G N 0.585 109.568 108.800 0.305 0.000 2.479 72 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 72 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 72 G C 1.289 176.271 174.900 0.138 0.000 1.115 72 G CA 1.745 46.934 45.100 0.150 0.000 0.757 72 G HN 0.605 nan 8.290 nan 0.000 0.560 73 N N 0.004 118.813 118.700 0.182 0.000 2.405 73 N HA 0.044 4.784 4.740 -0.000 0.000 0.175 73 N C 1.299 176.943 175.510 0.223 0.000 1.051 73 N CA 0.307 53.467 53.050 0.184 0.000 0.899 73 N CB 0.171 38.766 38.487 0.180 0.000 1.000 73 N HN 0.043 nan 8.380 nan 0.000 0.451 74 D N 0.645 121.198 120.400 0.256 0.000 2.149 74 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 74 D C 2.083 178.598 176.300 0.358 0.000 1.001 74 D CA 1.308 55.515 54.000 0.346 0.000 0.849 74 D CB -0.783 40.189 40.800 0.287 0.000 0.939 74 D HN 0.333 nan 8.370 nan 0.000 0.449 75 G N 0.559 109.498 108.800 0.232 0.000 2.446 75 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 75 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 75 G C 1.456 176.273 174.900 -0.138 0.000 1.168 75 G CA 0.474 45.552 45.100 -0.036 0.000 0.771 75 G HN 0.288 nan 8.290 nan 0.000 0.551 76 L N 0.023 121.264 121.223 0.030 0.000 2.610 76 L HA 0.283 4.623 4.340 -0.000 0.000 0.232 76 L C 1.473 178.363 176.870 0.033 0.000 1.149 76 L CA 0.545 55.405 54.840 0.033 0.000 0.872 76 L CB 0.111 42.255 42.059 0.143 0.000 0.992 76 L HN -0.051 nan 8.230 nan 0.000 0.447 77 R N -0.030 120.522 120.500 0.086 0.000 2.791 77 R HA 0.381 4.721 4.340 -0.000 0.000 0.357 77 R C 0.648 176.866 176.300 -0.136 0.000 1.173 77 R CA 0.263 56.401 56.100 0.064 0.000 1.060 77 R CB -0.372 30.072 30.300 0.239 0.000 1.406 77 R HN 0.206 nan 8.270 nan 0.000 0.580 78 G N 1.312 110.015 108.800 -0.162 0.000 2.350 78 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.298 78 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.298 78 G C -0.460 174.209 174.900 -0.386 0.000 1.037 78 G CA 0.179 45.119 45.100 -0.267 0.000 1.074 78 G HN 0.241 nan 8.290 nan 0.000 0.511 79 F N -0.613 119.322 119.950 -0.025 0.000 2.532 79 F HA 0.585 5.112 4.527 -0.000 0.000 0.321 79 F C 0.310 176.154 175.800 0.073 0.000 1.089 79 F CA -1.001 57.024 58.000 0.041 0.000 0.926 79 F CB 1.935 40.993 39.000 0.098 0.000 1.168 79 F HN 0.072 nan 8.300 nan 0.000 0.459 80 Q N 3.185 123.195 119.800 0.349 0.000 2.226 80 Q HA 0.328 4.668 4.340 -0.000 0.000 0.256 80 Q C -1.868 174.325 176.000 0.321 0.000 0.962 80 Q CA -1.986 53.992 55.803 0.292 0.000 0.887 80 Q CB 1.530 30.375 28.738 0.178 0.000 1.282 80 Q HN 0.241 nan 8.270 nan 0.000 0.449 81 P HA -0.233 nan 4.420 nan 0.000 0.217 81 P C 0.852 178.186 177.300 0.056 0.000 1.151 81 P CA 1.756 64.960 63.100 0.173 0.000 0.849 81 P CB 0.365 32.129 31.700 0.106 0.000 0.787 82 Q N -0.982 118.864 119.800 0.077 0.000 2.084 82 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 82 Q C 2.298 178.320 176.000 0.037 0.000 0.978 82 Q CA 1.115 56.942 55.803 0.040 0.000 0.844 82 Q CB -0.564 28.207 28.738 0.054 0.000 0.898 82 Q HN 0.394 nan 8.270 nan 0.000 0.426 83 Q N 0.097 119.954 119.800 0.095 0.000 2.020 83 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 83 Q C 2.239 178.216 176.000 -0.038 0.000 0.982 83 Q CA 1.750 57.610 55.803 0.095 0.000 0.838 83 Q CB -0.702 28.218 28.738 0.304 0.000 0.899 83 Q HN 0.386 nan 8.270 nan 0.000 0.423 84 T N 1.710 116.235 114.554 -0.048 0.000 2.652 84 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 84 T C 1.793 176.378 174.700 -0.192 0.000 1.039 84 T CA 1.706 63.719 62.100 -0.144 0.000 1.153 84 T CB -0.241 68.597 68.868 -0.051 0.000 0.863 84 T HN 0.426 nan 8.240 nan 0.000 0.428 85 E N 0.398 120.488 120.200 -0.184 0.000 2.085 85 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 85 E C 2.343 178.870 176.600 -0.122 0.000 0.994 85 E CA 1.385 57.664 56.400 -0.202 0.000 0.801 85 E CB -0.089 29.519 29.700 -0.154 0.000 0.743 85 E HN 0.307 nan 8.360 nan 0.000 0.453 86 Q N 0.230 119.987 119.800 -0.071 0.000 2.079 86 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 86 Q C 1.976 177.947 176.000 -0.048 0.000 0.974 86 Q CA 2.412 58.195 55.803 -0.033 0.000 0.840 86 Q CB -0.578 28.157 28.738 -0.005 0.000 0.898 86 Q HN 0.239 nan 8.270 nan 0.000 0.430 87 T N 0.859 115.362 114.554 -0.085 0.000 2.708 87 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 87 T C 1.702 176.341 174.700 -0.102 0.000 1.037 87 T CA 1.444 63.486 62.100 -0.097 0.000 1.146 87 T CB -0.278 68.494 68.868 -0.160 0.000 0.865 87 T HN 0.236 nan 8.240 nan 0.000 0.435 88 L N 0.487 121.626 121.223 -0.140 0.000 2.141 88 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 88 L C 2.820 179.582 176.870 -0.179 0.000 1.094 88 L CA 1.072 55.815 54.840 -0.162 0.000 0.763 88 L CB -0.465 41.453 42.059 -0.235 0.000 0.908 88 L HN 0.169 nan 8.230 nan 0.000 0.437 89 R N 0.211 120.639 120.500 -0.119 0.000 2.081 89 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 89 R C 2.250 178.521 176.300 -0.048 0.000 1.131 89 R CA 1.488 57.559 56.100 -0.047 0.000 0.960 89 R CB -0.062 30.304 30.300 0.109 0.000 0.856 89 R HN 0.448 nan 8.270 nan 0.000 0.436 90 Q N 0.060 119.842 119.800 -0.030 0.000 2.119 90 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 90 Q C 2.222 178.192 176.000 -0.050 0.000 0.972 90 Q CA 1.378 57.175 55.803 -0.010 0.000 0.847 90 Q CB -0.021 28.715 28.738 -0.003 0.000 0.903 90 Q HN 0.446 nan 8.270 nan 0.000 0.433 91 I N 0.792 121.310 120.570 -0.087 0.000 2.179 91 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 91 I C 2.196 178.230 176.117 -0.138 0.000 1.088 91 I CA 1.224 62.472 61.300 -0.086 0.000 1.357 91 I CB -0.279 37.674 38.000 -0.078 0.000 1.051 91 I HN 0.206 nan 8.210 nan 0.000 0.409 92 L N -0.015 121.032 121.223 -0.292 0.000 2.083 92 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 92 L C 2.645 179.349 176.870 -0.277 0.000 1.083 92 L CA 1.417 55.981 54.840 -0.461 0.000 0.752 92 L CB -0.638 40.721 42.059 -1.168 0.000 0.899 92 L HN 0.312 nan 8.230 nan 0.000 0.433 93 Q N -0.104 119.613 119.800 -0.137 0.000 2.020 93 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 93 Q C 1.912 177.938 176.000 0.044 0.000 0.982 93 Q CA 1.772 57.631 55.803 0.094 0.000 0.838 93 Q CB -0.137 28.688 28.738 0.144 0.000 0.899 93 Q HN 0.442 nan 8.270 nan 0.000 0.423 94 D N -0.090 120.315 120.400 0.009 0.000 2.123 94 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 94 D C 1.968 178.275 176.300 0.012 0.000 0.992 94 D CA 0.999 55.006 54.000 0.013 0.000 0.833 94 D CB -0.269 40.535 40.800 0.006 0.000 0.954 94 D HN 0.048 nan 8.370 nan 0.000 0.455 95 V N 0.873 120.785 119.914 -0.003 0.000 2.261 95 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 95 V C 2.396 178.501 176.094 0.019 0.000 1.047 95 V CA 1.652 63.956 62.300 0.007 0.000 1.015 95 V CB -0.377 31.444 31.823 -0.003 0.000 0.642 95 V HN 0.166 nan 8.190 nan 0.000 0.446 96 K N 0.032 120.452 120.400 0.033 0.000 2.026 96 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 96 K C 2.239 178.866 176.600 0.044 0.000 1.048 96 K CA 1.459 57.781 56.287 0.057 0.000 0.929 96 K CB -0.457 32.111 32.500 0.114 0.000 0.713 96 K HN 0.463 nan 8.250 nan 0.000 0.439 97 A N 0.898 123.745 122.820 0.046 0.000 2.131 97 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 97 A C 1.913 179.508 177.584 0.018 0.000 1.158 97 A CA 1.732 53.789 52.037 0.034 0.000 0.665 97 A CB -0.373 18.648 19.000 0.035 0.000 0.795 97 A HN 0.341 nan 8.150 nan 0.000 0.460 98 A N -1.068 121.760 122.820 0.014 0.000 2.415 98 A HA 0.369 4.689 4.320 -0.000 0.000 0.248 98 A C 0.786 178.364 177.584 -0.010 0.000 1.299 98 A CA 0.475 52.514 52.037 0.003 0.000 0.899 98 A CB -0.698 18.305 19.000 0.006 0.000 0.997 98 A HN 0.720 nan 8.150 nan 0.000 0.506 99 N N -2.002 116.695 118.700 -0.006 0.000 2.735 99 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 99 N C -0.220 175.264 175.510 -0.043 0.000 1.083 99 N CA 0.920 53.958 53.050 -0.019 0.000 0.703 99 N CB -1.424 37.046 38.487 -0.029 0.000 1.005 99 N HN 0.856 nan 8.380 nan 0.000 0.550 100 A N -0.075 122.729 122.820 -0.026 0.000 2.380 100 A HA 0.670 4.990 4.320 -0.000 0.000 0.315 100 A C -0.477 177.114 177.584 0.011 0.000 1.101 100 A CA -0.669 51.341 52.037 -0.045 0.000 0.771 100 A CB 1.014 19.996 19.000 -0.029 0.000 1.287 100 A HN 0.366 nan 8.150 nan 0.000 0.436 101 E N 2.489 122.712 120.200 0.039 0.000 2.130 101 E HA 0.314 4.664 4.350 -0.000 0.000 0.284 101 E C -2.446 174.254 176.600 0.165 0.000 1.018 101 E CA -1.712 54.766 56.400 0.131 0.000 0.817 101 E CB 1.200 31.040 29.700 0.233 0.000 1.078 101 E HN 0.410 nan 8.360 nan 0.000 0.396 102 P HA 0.129 nan 4.420 nan 0.000 0.280 102 P C -0.816 176.548 177.300 0.106 0.000 1.244 102 P CA -0.202 62.949 63.100 0.085 0.000 0.784 102 P CB 0.883 32.582 31.700 -0.001 0.000 0.913 103 L N 3.864 125.159 121.223 0.120 0.000 2.345 103 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 103 L C 0.148 177.087 176.870 0.114 0.000 0.999 103 L CA -1.030 53.881 54.840 0.118 0.000 0.849 103 L CB 1.443 43.579 42.059 0.130 0.000 1.220 103 L HN 0.238 nan 8.230 nan 0.000 0.422 104 L N 3.890 125.175 121.223 0.103 0.000 2.326 104 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 104 L C -0.127 176.826 176.870 0.139 0.000 1.092 104 L CA 0.215 55.130 54.840 0.124 0.000 0.810 104 L CB 1.375 43.505 42.059 0.118 0.000 1.153 104 L HN 0.642 nan 8.230 nan 0.000 0.439 105 M N 3.577 123.262 119.600 0.142 0.000 2.363 105 M HA 0.378 4.857 4.480 -0.000 0.000 0.343 105 M C -0.492 175.745 176.300 -0.106 0.000 1.165 105 M CA -0.751 54.608 55.300 0.099 0.000 1.046 105 M CB 1.494 34.199 32.600 0.174 0.000 1.648 105 M HN 0.751 nan 8.290 nan 0.000 0.452 106 Q N 3.690 123.392 119.800 -0.163 0.000 2.332 106 Q HA 0.375 4.715 4.340 -0.000 0.000 0.263 106 Q C -1.622 173.879 176.000 -0.831 0.000 0.979 106 Q CA 0.273 55.775 55.803 -0.502 0.000 0.885 106 Q CB 0.629 29.266 28.738 -0.168 0.000 1.218 106 Q HN 0.630 nan 8.270 nan 0.000 0.405 107 I N 3.849 123.571 120.570 -1.413 0.000 2.569 107 I HA 0.502 4.672 4.170 -0.000 0.000 0.296 107 I C -0.488 175.202 176.117 -0.710 0.000 1.028 107 I CA -0.621 59.935 61.300 -1.240 0.000 1.082 107 I CB 1.827 39.410 38.000 -0.694 0.000 1.264 107 I HN 0.757 nan 8.210 nan 0.000 0.429 108 R N 6.891 126.880 120.500 -0.851 0.000 2.502 108 R HA 0.544 4.883 4.340 -0.000 0.000 0.300 108 R C -2.709 173.498 176.300 -0.155 0.000 0.984 108 R CA -1.233 54.727 56.100 -0.232 0.000 0.882 108 R CB 2.382 32.651 30.300 -0.053 0.000 1.180 108 R HN 0.356 nan 8.270 nan 0.000 0.444 109 P HA 0.252 nan 4.420 nan 0.000 0.274 109 P C -2.614 174.606 177.300 -0.133 0.000 1.256 109 P CA -1.384 61.615 63.100 -0.167 0.000 0.795 109 P CB 0.027 31.652 31.700 -0.124 0.000 1.038 110 P HA -0.013 nan 4.420 nan 0.000 0.265 110 P C 0.825 178.007 177.300 -0.197 0.000 1.187 110 P CA 0.331 63.228 63.100 -0.340 0.000 0.766 110 P CB 0.032 31.371 31.700 -0.602 0.000 0.820 111 A N 3.534 126.257 122.820 -0.162 0.000 2.084 111 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 111 A C 0.981 178.540 177.584 -0.041 0.000 1.161 111 A CA 1.407 53.394 52.037 -0.084 0.000 0.653 111 A CB -0.962 17.977 19.000 -0.102 0.000 0.802 111 A HN 0.723 nan 8.150 nan 0.000 0.457 112 N N -1.668 116.988 118.700 -0.074 0.000 3.170 112 N HA 0.178 4.918 4.740 -0.000 0.000 0.305 112 N C -0.559 175.028 175.510 0.128 0.000 1.499 112 N CA -0.228 52.821 53.050 -0.002 0.000 1.110 112 N CB -0.039 38.425 38.487 -0.038 0.000 1.390 112 N HN 0.613 nan 8.380 nan 0.000 0.508 113 Y N 0.140 120.444 120.300 0.007 0.000 2.767 113 Y HA 0.223 4.773 4.550 -0.000 0.000 0.254 113 Y C 0.645 176.593 175.900 0.080 0.000 1.133 113 Y CA -0.481 57.638 58.100 0.032 0.000 1.225 113 Y CB 1.012 39.515 38.460 0.072 0.000 1.312 113 Y HN 0.519 nan 8.280 nan 0.000 0.560 114 G N 1.565 110.482 108.800 0.196 0.000 3.402 114 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 114 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 114 G C 0.133 175.124 174.900 0.150 0.000 0.983 114 G CA -0.376 44.807 45.100 0.137 0.000 0.821 114 G HN 0.422 nan 8.290 nan 0.000 0.500 115 R N 1.246 121.806 120.500 0.100 0.000 2.113 115 R HA -0.193 4.147 4.340 -0.000 0.000 0.244 115 R C 2.839 179.195 176.300 0.092 0.000 1.142 115 R CA 2.012 58.161 56.100 0.082 0.000 0.953 115 R CB -0.210 30.124 30.300 0.056 0.000 0.860 115 R HN 0.653 nan 8.270 nan 0.000 0.438 116 R N 0.036 120.595 120.500 0.097 0.000 2.112 116 R HA -0.237 4.103 4.340 -0.000 0.000 0.242 116 R C 2.152 178.540 176.300 0.146 0.000 1.137 116 R CA 1.846 58.007 56.100 0.102 0.000 0.944 116 R CB -1.221 29.135 30.300 0.094 0.000 0.857 116 R HN 0.409 nan 8.270 nan 0.000 0.435 117 Y N 1.911 122.241 120.300 0.049 0.000 2.206 117 Y HA -0.024 4.526 4.550 -0.000 0.000 0.292 117 Y C 1.912 177.891 175.900 0.130 0.000 1.123 117 Y CA 1.063 59.206 58.100 0.070 0.000 1.142 117 Y CB -0.455 38.011 38.460 0.010 0.000 1.006 117 Y HN 0.136 nan 8.280 nan 0.000 0.518 118 N N 0.250 118.983 118.700 0.055 0.000 2.036 118 N HA -0.263 4.477 4.740 -0.000 0.000 0.195 118 N C 1.786 177.303 175.510 0.012 0.000 1.037 118 N CA 1.712 54.763 53.050 0.002 0.000 0.855 118 N CB -0.299 38.237 38.487 0.082 0.000 1.033 118 N HN 0.651 nan 8.380 nan 0.000 0.423 119 E N 1.055 121.273 120.200 0.030 0.000 2.150 119 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 119 E C 1.919 178.527 176.600 0.013 0.000 0.985 119 E CA 1.056 57.474 56.400 0.030 0.000 0.814 119 E CB -0.111 29.608 29.700 0.033 0.000 0.752 119 E HN 0.321 nan 8.360 nan 0.000 0.466 120 A N 1.004 123.822 122.820 -0.004 0.000 1.897 120 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 120 A C 1.969 179.516 177.584 -0.062 0.000 1.181 120 A CA 0.959 52.985 52.037 -0.019 0.000 0.620 120 A CB -0.790 18.219 19.000 0.015 0.000 0.821 120 A HN 0.393 nan 8.150 nan 0.000 0.443 121 F N 1.474 121.233 119.950 -0.318 0.000 2.051 121 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 121 F C 2.598 178.346 175.800 -0.087 0.000 1.122 121 F CA 2.148 59.949 58.000 -0.332 0.000 1.201 121 F CB -0.413 38.200 39.000 -0.645 0.000 0.978 121 F HN 0.200 nan 8.300 nan 0.000 0.472 122 S N 0.543 116.331 115.700 0.147 0.000 2.387 122 S HA -0.234 4.236 4.470 -0.000 0.000 0.230 122 S C 2.196 176.837 174.600 0.068 0.000 1.035 122 S CA 1.094 59.376 58.200 0.137 0.000 1.014 122 S CB -0.946 62.321 63.200 0.112 0.000 0.836 122 S HN 0.553 nan 8.310 nan 0.000 0.466 123 A N 1.125 123.943 122.820 -0.003 0.000 2.070 123 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 123 A C 1.950 179.486 177.584 -0.080 0.000 1.159 123 A CA 0.798 52.823 52.037 -0.020 0.000 0.656 123 A CB -0.703 18.285 19.000 -0.021 0.000 0.800 123 A HN 0.512 nan 8.150 nan 0.000 0.453 124 I N -1.708 118.738 120.570 -0.206 0.000 2.208 124 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 124 I C 2.322 178.200 176.117 -0.398 0.000 1.097 124 I CA 1.597 62.672 61.300 -0.375 0.000 1.363 124 I CB -0.475 37.112 38.000 -0.687 0.000 1.051 124 I HN 0.438 nan 8.210 nan 0.000 0.413 125 Y N 0.244 120.430 120.300 -0.190 0.000 2.133 125 Y HA -0.129 4.421 4.550 -0.000 0.000 0.287 125 Y C -0.134 175.735 175.900 -0.053 0.000 1.134 125 Y CA 1.286 59.312 58.100 -0.123 0.000 1.133 125 Y CB -2.223 36.158 38.460 -0.132 0.000 0.987 125 Y HN 0.158 nan 8.280 nan 0.000 0.502 126 P HA -0.212 nan 4.420 nan 0.000 0.215 126 P C 1.357 178.681 177.300 0.040 0.000 1.153 126 P CA 2.056 65.196 63.100 0.068 0.000 0.853 126 P CB -0.040 31.692 31.700 0.053 0.000 0.788 127 K N -0.038 120.366 120.400 0.007 0.000 2.009 127 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 127 K C 2.023 178.643 176.600 0.034 0.000 1.049 127 K CA 1.419 57.708 56.287 0.002 0.000 0.929 127 K CB -0.729 31.753 32.500 -0.030 0.000 0.714 127 K HN 0.061 nan 8.250 nan 0.000 0.440 128 L N 0.467 121.704 121.223 0.023 0.000 2.046 128 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 128 L C 2.663 179.654 176.870 0.202 0.000 1.077 128 L CA 1.207 56.120 54.840 0.122 0.000 0.747 128 L CB -0.556 41.494 42.059 -0.016 0.000 0.896 128 L HN 0.328 nan 8.230 nan 0.000 0.432 129 A N -0.096 122.794 122.820 0.118 0.000 1.933 129 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 129 A C 2.394 180.056 177.584 0.129 0.000 1.175 129 A CA 2.014 54.127 52.037 0.126 0.000 0.628 129 A CB -0.382 18.678 19.000 0.100 0.000 0.814 129 A HN 0.338 nan 8.150 nan 0.000 0.444 130 K N -0.401 120.056 120.400 0.095 0.000 2.007 130 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 130 K C 2.115 178.746 176.600 0.051 0.000 1.047 130 K CA 1.334 57.658 56.287 0.062 0.000 0.937 130 K CB -0.210 32.312 32.500 0.036 0.000 0.718 130 K HN 0.583 nan 8.250 nan 0.000 0.438 131 E N -0.549 119.682 120.200 0.051 0.000 2.130 131 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 131 E C 1.161 177.652 176.600 -0.182 0.000 0.998 131 E CA 1.470 57.832 56.400 -0.064 0.000 0.806 131 E CB -0.028 29.636 29.700 -0.060 0.000 0.738 131 E HN 0.332 nan 8.360 nan 0.000 0.459 132 F N 0.133 120.083 119.950 0.000 0.000 2.721 132 F HA 0.159 4.686 4.527 -0.000 0.000 0.301 132 F C 0.259 176.069 175.800 0.017 0.000 1.096 132 F CA 0.410 58.415 58.000 0.008 0.000 1.308 132 F CB 0.443 39.449 39.000 0.011 0.000 1.086 132 F HN -0.074 nan 8.300 nan 0.000 0.587 133 D N 1.201 121.697 120.400 0.161 0.000 2.746 133 D HA -0.149 4.491 4.640 -0.000 0.000 0.241 133 D C -0.714 175.659 176.300 0.122 0.000 1.140 133 D CA 0.710 54.774 54.000 0.107 0.000 0.707 133 D CB -0.810 40.030 40.800 0.067 0.000 1.034 133 D HN 0.155 nan 8.370 nan 0.000 0.423 134 V N -2.327 117.667 119.914 0.133 0.000 2.960 134 V HA 0.913 5.033 4.120 -0.000 0.000 0.315 134 V C -2.193 173.956 176.094 0.092 0.000 1.087 134 V CA -2.054 60.314 62.300 0.114 0.000 0.982 134 V CB 1.701 33.592 31.823 0.113 0.000 1.039 134 V HN 0.002 nan 8.190 nan 0.000 0.437 135 P HA 0.311 nan 4.420 nan 0.000 0.266 135 P C -0.972 176.375 177.300 0.079 0.000 1.195 135 P CA 0.114 63.256 63.100 0.070 0.000 0.768 135 P CB 0.344 32.081 31.700 0.062 0.000 0.838 136 L N 4.537 125.805 121.223 0.074 0.000 2.366 136 L HA 0.343 4.682 4.340 -0.000 0.000 0.266 136 L C -1.185 175.735 176.870 0.084 0.000 1.010 136 L CA -0.561 54.332 54.840 0.088 0.000 0.879 136 L CB 0.290 42.403 42.059 0.090 0.000 1.228 136 L HN 0.085 nan 8.230 nan 0.000 0.439 137 L N 6.409 127.691 121.223 0.098 0.000 2.452 137 L HA 0.484 4.824 4.340 -0.000 0.000 0.267 137 L C -1.852 175.117 176.870 0.164 0.000 1.188 137 L CA -1.053 53.857 54.840 0.117 0.000 0.821 137 L CB -0.210 41.934 42.059 0.142 0.000 1.102 137 L HN 0.471 nan 8.230 nan 0.000 0.470 138 P HA 0.019 nan 4.420 nan 0.000 0.272 138 P C -0.825 176.678 177.300 0.338 0.000 1.240 138 P CA -0.389 62.876 63.100 0.275 0.000 0.791 138 P CB 0.320 32.232 31.700 0.353 0.000 0.978 139 F N 3.631 123.580 119.950 -0.000 0.000 2.462 139 F HA 0.137 4.663 4.527 -0.000 0.000 0.360 139 F C 1.011 176.630 175.800 -0.303 0.000 1.134 139 F CA -1.366 56.525 58.000 -0.181 0.000 1.148 139 F CB -0.719 38.141 39.000 -0.232 0.000 1.147 139 F HN 0.260 nan 8.300 nan 0.000 0.550 140 F N 4.092 123.775 119.950 -0.444 0.000 2.250 140 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 140 F C 1.654 176.770 175.800 -1.140 0.000 1.077 140 F CA 1.008 58.356 58.000 -1.088 0.000 1.348 140 F CB -0.950 37.429 39.000 -1.034 0.000 1.040 140 F HN 0.299 nan 8.300 nan 0.000 0.509 141 M N 0.885 119.338 119.600 -1.912 0.000 2.446 141 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 141 M C 1.899 177.316 176.300 -1.471 0.000 1.066 141 M CA 1.060 55.296 55.300 -1.774 0.000 1.087 141 M CB -1.129 30.085 32.600 -2.310 0.000 1.406 141 M HN 0.279 nan 8.290 nan 0.000 0.459 142 E N 0.500 120.128 120.200 -0.952 0.000 2.118 142 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 142 E C 1.822 178.242 176.600 -0.299 0.000 0.992 142 E CA 1.028 57.197 56.400 -0.385 0.000 0.804 142 E CB -0.145 29.482 29.700 -0.122 0.000 0.741 142 E HN 0.530 nan 8.360 nan 0.000 0.458 143 E N 0.254 120.219 120.200 -0.393 0.000 2.158 143 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 143 E C 2.331 178.821 176.600 -0.182 0.000 0.982 143 E CA 0.324 56.571 56.400 -0.254 0.000 0.823 143 E CB -0.082 29.410 29.700 -0.346 0.000 0.766 143 E HN 0.113 nan 8.360 nan 0.000 0.468 144 V N 0.765 120.507 119.914 -0.287 0.000 2.453 144 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 144 V C 2.030 178.089 176.094 -0.059 0.000 1.048 144 V CA 1.357 63.607 62.300 -0.083 0.000 1.049 144 V CB -0.839 30.874 31.823 -0.184 0.000 0.672 144 V HN 0.270 nan 8.190 nan 0.000 0.457 145 Y N -0.045 120.181 120.300 -0.123 0.000 2.256 145 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 145 Y C 2.182 178.008 175.900 -0.122 0.000 1.155 145 Y CA 0.633 58.662 58.100 -0.118 0.000 1.203 145 Y CB -0.256 38.127 38.460 -0.129 0.000 0.980 145 Y HN 0.204 nan 8.280 nan 0.000 0.530 146 L N 0.172 121.402 121.223 0.010 0.000 2.622 146 L HA -0.066 4.274 4.340 -0.000 0.000 0.233 146 L C 0.026 176.783 176.870 -0.189 0.000 1.156 146 L CA 1.085 55.879 54.840 -0.077 0.000 0.866 146 L CB -0.307 41.699 42.059 -0.089 0.000 0.980 146 L HN 0.079 nan 8.230 nan 0.000 0.448 147 K N -0.249 120.012 120.400 -0.231 0.000 2.701 147 K HA 0.240 4.559 4.320 -0.000 0.000 0.212 147 K C -1.988 174.455 176.600 -0.263 0.000 1.035 147 K CA -1.493 54.535 56.287 -0.433 0.000 1.048 147 K CB 1.821 33.698 32.500 -1.038 0.000 1.234 147 K HN -0.292 nan 8.250 nan 0.000 0.540 148 P HA -0.296 nan 4.420 nan 0.000 0.217 148 P C 1.214 178.485 177.300 -0.049 0.000 1.151 148 P CA 1.275 64.330 63.100 -0.075 0.000 0.849 148 P CB 0.235 31.890 31.700 -0.075 0.000 0.787 149 Q N -2.105 117.617 119.800 -0.131 0.000 2.541 149 Q HA -0.149 4.191 4.340 -0.000 0.000 0.215 149 Q C 0.689 176.780 176.000 0.151 0.000 0.977 149 Q CA 1.130 56.905 55.803 -0.048 0.000 0.934 149 Q CB -0.796 27.867 28.738 -0.125 0.000 0.988 149 Q HN 0.379 nan 8.270 nan 0.000 0.521 150 W N 0.176 121.447 121.300 -0.048 0.000 3.008 150 W HA 0.424 5.084 4.660 0.000 0.000 0.355 150 W C 0.059 176.578 176.519 0.001 0.000 1.095 150 W CA -0.873 56.450 57.345 -0.036 0.000 1.738 150 W CB 0.351 29.750 29.460 -0.101 0.000 1.091 150 W HN -0.004 nan 8.180 nan 0.000 0.574 151 M N 0.717 120.439 119.600 0.204 0.000 2.404 151 M HA 0.295 4.775 4.480 -0.000 0.000 0.338 151 M C 0.479 176.858 176.300 0.133 0.000 1.150 151 M CA -0.619 54.772 55.300 0.152 0.000 1.016 151 M CB 1.304 33.974 32.600 0.115 0.000 1.672 151 M HN -0.103 nan 8.290 nan 0.000 0.448 152 Q N 0.857 120.743 119.800 0.143 0.000 2.396 152 Q HA 0.100 4.440 4.340 -0.000 0.000 0.221 152 Q C 0.342 176.406 176.000 0.107 0.000 1.025 152 Q CA -0.686 55.205 55.803 0.145 0.000 0.946 152 Q CB 0.857 29.722 28.738 0.212 0.000 1.224 152 Q HN 0.508 nan 8.270 nan 0.000 0.539 153 D N 1.517 121.978 120.400 0.101 0.000 2.133 153 D HA -0.206 4.434 4.640 -0.000 0.000 0.192 153 D C 1.239 177.571 176.300 0.054 0.000 1.001 153 D CA 1.896 55.938 54.000 0.070 0.000 0.844 153 D CB -0.391 40.452 40.800 0.071 0.000 0.944 153 D HN 0.664 nan 8.370 nan 0.000 0.447 154 D N -0.101 120.343 120.400 0.074 0.000 2.389 154 D HA -0.048 4.592 4.640 -0.000 0.000 0.221 154 D C 1.495 177.780 176.300 -0.025 0.000 0.974 154 D CA 1.143 55.163 54.000 0.033 0.000 0.923 154 D CB -0.870 39.964 40.800 0.056 0.000 0.892 154 D HN 0.299 nan 8.370 nan 0.000 0.518 155 G N -0.023 108.771 108.800 -0.010 0.000 2.233 155 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.270 155 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.270 155 G C 0.780 175.631 174.900 -0.081 0.000 1.011 155 G CA 0.862 45.939 45.100 -0.039 0.000 0.762 155 G HN 0.523 nan 8.290 nan 0.000 0.511 156 I N -1.897 118.601 120.570 -0.120 0.000 3.873 156 I HA 0.222 4.391 4.170 -0.000 0.000 0.284 156 I C 0.922 176.840 176.117 -0.331 0.000 1.186 156 I CA -0.209 60.928 61.300 -0.272 0.000 1.362 156 I CB 0.255 37.942 38.000 -0.521 0.000 1.432 156 I HN 0.154 nan 8.210 nan 0.000 0.454 157 H N 2.759 121.779 119.070 -0.084 0.000 2.463 157 H HA 0.316 4.871 4.556 -0.000 0.000 0.332 157 H C -2.407 172.955 175.328 0.057 0.000 1.127 157 H CA -1.976 54.042 56.048 -0.049 0.000 1.238 157 H CB 0.622 30.263 29.762 -0.202 0.000 1.478 157 H HN -0.060 nan 8.280 nan 0.000 0.499 158 P HA 0.004 nan 4.420 nan 0.000 0.275 158 P C -0.664 176.748 177.300 0.187 0.000 1.228 158 P CA -0.476 62.727 63.100 0.171 0.000 0.786 158 P CB 1.255 33.046 31.700 0.152 0.000 0.927 159 N N 2.394 121.190 118.700 0.159 0.000 2.476 159 N HA 0.194 4.934 4.740 -0.000 0.000 0.287 159 N C 1.180 176.745 175.510 0.092 0.000 1.262 159 N CA -0.526 52.609 53.050 0.142 0.000 0.980 159 N CB 0.221 38.796 38.487 0.147 0.000 1.163 159 N HN 0.215 nan 8.380 nan 0.000 0.592 160 R N -0.970 119.576 120.500 0.077 0.000 2.073 160 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 160 R C 0.701 177.016 176.300 0.025 0.000 1.134 160 R CA 1.722 57.847 56.100 0.042 0.000 0.952 160 R CB -0.477 29.845 30.300 0.036 0.000 0.850 160 R HN 0.602 nan 8.270 nan 0.000 0.433 161 D N 0.461 120.900 120.400 0.065 0.000 2.190 161 D HA -0.148 4.491 4.640 -0.000 0.000 0.200 161 D C 1.643 177.925 176.300 -0.029 0.000 0.992 161 D CA 1.493 55.551 54.000 0.097 0.000 0.854 161 D CB -0.114 40.820 40.800 0.222 0.000 0.936 161 D HN 0.294 nan 8.370 nan 0.000 0.462 162 A N 0.358 123.063 122.820 -0.192 0.000 2.016 162 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 162 A C 2.012 179.413 177.584 -0.304 0.000 1.162 162 A CA 0.733 52.450 52.037 -0.532 0.000 0.662 162 A CB -0.186 18.617 19.000 -0.329 0.000 0.812 162 A HN 0.035 nan 8.150 nan 0.000 0.450 163 Q N -0.168 119.551 119.800 -0.135 0.000 2.077 163 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 163 Q C -0.327 175.584 176.000 -0.147 0.000 0.989 163 Q CA 2.164 57.925 55.803 -0.070 0.000 0.853 163 Q CB -2.063 26.673 28.738 -0.004 0.000 0.907 163 Q HN 0.467 nan 8.270 nan 0.000 0.418 164 P HA -0.137 nan 4.420 nan 0.000 0.216 164 P C 1.134 178.153 177.300 -0.468 0.000 1.150 164 P CA 1.170 64.041 63.100 -0.381 0.000 0.837 164 P CB -0.260 31.121 31.700 -0.533 0.000 0.786 165 F N -1.286 118.429 119.950 -0.392 0.000 2.206 165 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 165 F C 2.270 177.852 175.800 -0.362 0.000 1.090 165 F CA 0.905 58.661 58.000 -0.406 0.000 1.323 165 F CB -1.209 37.324 39.000 -0.777 0.000 1.028 165 F HN -0.189 nan 8.300 nan 0.000 0.492 166 I N 0.073 120.458 120.570 -0.309 0.000 2.286 166 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 166 I C 2.640 178.492 176.117 -0.442 0.000 1.115 166 I CA 1.056 62.038 61.300 -0.531 0.000 1.392 166 I CB -0.756 36.730 38.000 -0.856 0.000 1.065 166 I HN 0.126 nan 8.210 nan 0.000 0.418 167 A N 0.760 123.441 122.820 -0.232 0.000 1.877 167 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 167 A C 1.995 179.478 177.584 -0.168 0.000 1.186 167 A CA 2.074 54.032 52.037 -0.131 0.000 0.620 167 A CB -0.581 18.365 19.000 -0.090 0.000 0.822 167 A HN 0.332 nan 8.150 nan 0.000 0.443 168 D N -1.647 118.674 120.400 -0.132 0.000 2.117 168 D HA -0.167 4.472 4.640 -0.000 0.000 0.197 168 D C 1.618 177.907 176.300 -0.019 0.000 0.987 168 D CA 1.144 55.097 54.000 -0.078 0.000 0.829 168 D CB -0.447 40.324 40.800 -0.048 0.000 0.961 168 D HN 0.729 nan 8.370 nan 0.000 0.460 169 W N 0.989 122.173 121.300 -0.193 0.000 2.338 169 W HA -0.176 4.484 4.660 -0.000 0.000 0.304 169 W C 2.190 178.576 176.519 -0.221 0.000 1.212 169 W CA 1.209 58.448 57.345 -0.177 0.000 1.264 169 W CB -0.059 29.281 29.460 -0.200 0.000 1.142 169 W HN -0.164 nan 8.180 nan 0.000 0.512 170 M N 0.147 119.732 119.600 -0.025 0.000 2.175 170 M HA -0.098 4.381 4.480 -0.000 0.000 0.264 170 M C 2.254 178.446 176.300 -0.180 0.000 1.063 170 M CA 1.762 56.958 55.300 -0.174 0.000 1.119 170 M CB -2.053 30.303 32.600 -0.407 0.000 1.377 170 M HN 0.184 nan 8.290 nan 0.000 0.415 171 A N 0.736 123.442 122.820 -0.189 0.000 1.883 171 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 171 A C 2.267 179.866 177.584 0.024 0.000 1.186 171 A CA 1.898 53.885 52.037 -0.083 0.000 0.624 171 A CB -0.579 18.355 19.000 -0.110 0.000 0.822 171 A HN 0.503 nan 8.150 nan 0.000 0.444 172 K N -0.846 119.490 120.400 -0.106 0.000 2.057 172 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 172 K C 2.349 178.819 176.600 -0.216 0.000 1.049 172 K CA 1.363 57.558 56.287 -0.153 0.000 0.931 172 K CB -0.201 32.160 32.500 -0.232 0.000 0.714 172 K HN 0.426 nan 8.250 nan 0.000 0.440 173 Q N 0.765 120.353 119.800 -0.353 0.000 2.084 173 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 173 Q C 2.249 178.155 176.000 -0.156 0.000 0.978 173 Q CA 1.321 56.918 55.803 -0.343 0.000 0.844 173 Q CB -0.094 28.348 28.738 -0.494 0.000 0.898 173 Q HN 0.370 nan 8.270 nan 0.000 0.426 174 L N 0.445 121.629 121.223 -0.065 0.000 2.240 174 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 174 L C 2.570 179.423 176.870 -0.028 0.000 1.106 174 L CA 0.431 55.277 54.840 0.009 0.000 0.793 174 L CB -0.424 41.746 42.059 0.184 0.000 0.927 174 L HN 0.189 nan 8.230 nan 0.000 0.446 175 Q N 1.108 120.921 119.800 0.023 0.000 2.028 175 Q HA -0.223 4.117 4.340 -0.000 0.000 0.213 175 Q C -0.468 175.455 176.000 -0.129 0.000 1.017 175 Q CA 2.722 58.493 55.803 -0.055 0.000 0.875 175 Q CB -1.505 27.222 28.738 -0.018 0.000 0.962 175 Q HN 0.313 nan 8.270 nan 0.000 0.413 176 P HA -0.110 nan 4.420 nan 0.000 0.222 176 P C 1.324 178.566 177.300 -0.098 0.000 1.147 176 P CA 1.091 64.138 63.100 -0.089 0.000 0.790 176 P CB -0.159 31.500 31.700 -0.068 0.000 0.780 177 L N -0.360 120.783 121.223 -0.132 0.000 2.341 177 L HA 0.009 4.348 4.340 -0.000 0.000 0.214 177 L C 2.066 178.754 176.870 -0.302 0.000 1.115 177 L CA 0.766 55.517 54.840 -0.149 0.000 0.820 177 L CB -0.352 41.628 42.059 -0.132 0.000 0.944 177 L HN -0.112 nan 8.230 nan 0.000 0.452 178 V N -4.054 115.585 119.914 -0.458 0.000 3.271 178 V HA 0.334 4.454 4.120 -0.000 0.000 0.327 178 V C 0.344 176.251 176.094 -0.312 0.000 1.389 178 V CA -0.870 60.979 62.300 -0.751 0.000 1.156 178 V CB -1.320 29.771 31.823 -1.221 0.000 1.103 178 V HN 0.590 nan 8.190 nan 0.000 0.453 179 N N 0.000 118.599 118.700 -0.168 0.000 1.763 179 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 179 N CA 0.000 52.996 53.050 -0.090 0.000 0.885 179 N CB 0.000 38.487 38.487 0.000 0.000 1.341 179 N HN 0.000 nan 8.380 nan 0.000 0.667