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 3col_1_A DATA FIRST_RESID 7 DATA SEQUENCE NKQVKIQDAV AAIILAEGPA GVSTTKVAKR VGIAQSNVYL YFKNKQALID DATA SEQUENCE SVYARETNRI LSTTDLDRLS DSTIDVTTRI RLYVQQVYDY SLANPDSLTI DATA SEQUENCE IQQIKALNGQ XXXXXXXDAD PNNIVANLLT AAIDAKVIKQ LPVSLHXGVV DATA SEQUENCE FSTIHTHTTN ISKGRYAQDQ YTFGDIFQXI WDAXKQD 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.530 175.510 0.033 0.000 1.280 7 N CA 0.000 53.064 53.050 0.023 0.000 0.885 7 N CB 0.000 38.501 38.487 0.024 0.000 1.341 8 K N 0.148 120.569 120.400 0.034 0.000 2.057 8 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 8 K C 1.869 178.520 176.600 0.084 0.000 1.049 8 K CA 1.847 58.162 56.287 0.047 0.000 0.931 8 K CB 0.064 32.588 32.500 0.040 0.000 0.714 8 K HN 0.656 nan 8.250 nan 0.000 0.440 9 Q N 1.197 121.053 119.800 0.093 0.000 2.061 9 Q HA -0.154 4.185 4.340 -0.000 0.000 0.204 9 Q C 2.102 178.199 176.000 0.161 0.000 0.984 9 Q CA 1.932 57.837 55.803 0.171 0.000 0.846 9 Q CB -0.042 28.759 28.738 0.106 0.000 0.902 9 Q HN 0.250 nan 8.270 nan 0.000 0.421 10 V N 1.498 121.468 119.914 0.094 0.000 2.295 10 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 10 V C 2.410 178.532 176.094 0.047 0.000 1.049 10 V CA 1.864 64.203 62.300 0.066 0.000 1.024 10 V CB -0.567 31.283 31.823 0.045 0.000 0.648 10 V HN 0.305 nan 8.190 nan 0.000 0.447 11 K N -0.146 120.279 120.400 0.042 0.000 2.074 11 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 11 K C 2.004 178.614 176.600 0.015 0.000 1.048 11 K CA 1.701 58.003 56.287 0.024 0.000 0.926 11 K CB -0.616 31.898 32.500 0.023 0.000 0.713 11 K HN 0.448 nan 8.250 nan 0.000 0.444 12 I N 1.228 121.821 120.570 0.039 0.000 2.202 12 I HA -0.302 3.867 4.170 -0.000 0.000 0.242 12 I C 2.552 178.619 176.117 -0.083 0.000 1.091 12 I CA 1.247 62.544 61.300 -0.005 0.000 1.368 12 I CB -0.254 37.796 38.000 0.082 0.000 1.058 12 I HN 0.213 nan 8.210 nan 0.000 0.410 13 Q N 0.429 120.204 119.800 -0.041 0.000 2.084 13 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 13 Q C 1.809 177.782 176.000 -0.045 0.000 0.978 13 Q CA 1.641 57.405 55.803 -0.066 0.000 0.844 13 Q CB -0.166 28.581 28.738 0.015 0.000 0.898 13 Q HN 0.466 nan 8.270 nan 0.000 0.426 14 D N 0.439 120.828 120.400 -0.018 0.000 2.123 14 D HA -0.145 4.494 4.640 -0.000 0.000 0.196 14 D C 1.784 178.067 176.300 -0.028 0.000 0.992 14 D CA 1.391 55.382 54.000 -0.016 0.000 0.833 14 D CB -0.260 40.537 40.800 -0.005 0.000 0.954 14 D HN 0.274 nan 8.370 nan 0.000 0.455 15 A N 0.579 123.376 122.820 -0.038 0.000 1.877 15 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 15 A C 2.550 180.098 177.584 -0.060 0.000 1.186 15 A CA 1.477 53.487 52.037 -0.046 0.000 0.620 15 A CB -0.853 18.116 19.000 -0.051 0.000 0.822 15 A HN 0.148 nan 8.150 nan 0.000 0.443 16 V N -0.074 119.786 119.914 -0.090 0.000 2.287 16 V HA -0.294 3.825 4.120 -0.000 0.000 0.248 16 V C 3.048 179.109 176.094 -0.056 0.000 1.053 16 V CA 2.115 64.357 62.300 -0.096 0.000 1.027 16 V CB -1.316 30.414 31.823 -0.155 0.000 0.646 16 V HN 0.633 nan 8.190 nan 0.000 0.447 17 A N -0.166 122.629 122.820 -0.042 0.000 1.933 17 A HA -0.073 4.246 4.320 -0.000 0.000 0.218 17 A C 2.431 180.007 177.584 -0.014 0.000 1.175 17 A CA 2.001 54.027 52.037 -0.018 0.000 0.628 17 A CB -0.754 18.240 19.000 -0.009 0.000 0.814 17 A HN 0.575 nan 8.150 nan 0.000 0.444 18 A N 0.087 122.895 122.820 -0.019 0.000 1.877 18 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 18 A C 2.118 179.693 177.584 -0.015 0.000 1.186 18 A CA 1.574 53.602 52.037 -0.015 0.000 0.620 18 A CB -0.636 18.354 19.000 -0.018 0.000 0.822 18 A HN 0.497 nan 8.150 nan 0.000 0.443 19 I N -0.229 120.328 120.570 -0.022 0.000 2.179 19 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 19 I C 2.315 178.424 176.117 -0.013 0.000 1.088 19 I CA 1.400 62.687 61.300 -0.021 0.000 1.357 19 I CB -0.384 37.597 38.000 -0.031 0.000 1.051 19 I HN 0.315 nan 8.210 nan 0.000 0.409 20 I N 0.543 121.106 120.570 -0.012 0.000 2.151 20 I HA -0.342 3.827 4.170 -0.000 0.000 0.243 20 I C 2.476 178.597 176.117 0.007 0.000 1.080 20 I CA 1.675 62.975 61.300 -0.001 0.000 1.339 20 I CB -0.389 37.615 38.000 0.006 0.000 1.039 20 I HN 0.239 nan 8.210 nan 0.000 0.409 21 L N 0.222 121.449 121.223 0.007 0.000 2.093 21 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 21 L C 2.761 179.636 176.870 0.008 0.000 1.085 21 L CA 1.319 56.166 54.840 0.012 0.000 0.755 21 L CB -0.633 41.431 42.059 0.009 0.000 0.904 21 L HN 0.253 nan 8.230 nan 0.000 0.435 22 A N -0.221 122.600 122.820 0.001 0.000 1.903 22 A HA -0.088 4.231 4.320 -0.000 0.000 0.213 22 A C 1.810 179.394 177.584 0.000 0.000 1.185 22 A CA 1.127 53.164 52.037 -0.001 0.000 0.628 22 A CB -0.060 18.937 19.000 -0.005 0.000 0.830 22 A HN 0.467 nan 8.150 nan 0.000 0.446 23 E N -1.380 118.820 120.200 -0.001 0.000 2.601 23 E HA 0.404 4.754 4.350 -0.000 0.000 0.219 23 E C 0.596 177.196 176.600 0.001 0.000 0.964 23 E CA 0.040 56.440 56.400 -0.001 0.000 1.050 23 E CB 0.656 30.353 29.700 -0.005 0.000 1.068 23 E HN 0.679 nan 8.360 nan 0.000 0.496 24 G N 2.323 111.126 108.800 0.004 0.000 2.860 24 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.553 24 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.553 24 G C -2.242 172.658 174.900 -0.001 0.000 1.439 24 G CA -0.606 44.498 45.100 0.006 0.000 0.879 24 G HN -0.046 nan 8.290 nan 0.000 0.545 25 P HA 0.011 nan 4.420 nan 0.000 0.218 25 P C 2.175 179.468 177.300 -0.012 0.000 1.149 25 P CA 2.637 65.732 63.100 -0.008 0.000 0.817 25 P CB -0.079 31.615 31.700 -0.010 0.000 0.785 26 A N -0.069 122.746 122.820 -0.008 0.000 2.024 26 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 26 A C 2.361 179.940 177.584 -0.008 0.000 1.164 26 A CA 1.861 53.893 52.037 -0.008 0.000 0.643 26 A CB -1.778 17.219 19.000 -0.005 0.000 0.806 26 A HN 0.307 nan 8.150 nan 0.000 0.451 27 G N -0.908 107.886 108.800 -0.009 0.000 2.650 27 G HA2 0.244 4.204 3.960 -0.000 0.000 0.214 27 G HA3 0.244 4.204 3.960 -0.000 0.000 0.214 27 G C 0.535 175.424 174.900 -0.018 0.000 1.136 27 G CA 0.482 45.575 45.100 -0.011 0.000 0.789 27 G HN 0.269 nan 8.290 nan 0.000 0.536 28 V N 1.633 121.533 119.914 -0.024 0.000 2.585 28 V HA 0.438 4.558 4.120 -0.000 0.000 0.296 28 V C 0.445 176.519 176.094 -0.033 0.000 1.035 28 V CA 0.201 62.478 62.300 -0.037 0.000 1.084 28 V CB 0.770 32.563 31.823 -0.049 0.000 0.953 28 V HN 0.446 nan 8.190 nan 0.000 0.483 29 S N 2.048 117.723 115.700 -0.041 0.000 2.556 29 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 29 S C 0.563 175.123 174.600 -0.066 0.000 1.135 29 S CA -0.129 58.050 58.200 -0.034 0.000 0.858 29 S CB 1.831 65.022 63.200 -0.015 0.000 1.114 29 S HN 0.556 nan 8.310 nan 0.000 0.468 30 T N 2.061 116.567 114.554 -0.080 0.000 2.720 30 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 30 T C 1.762 176.381 174.700 -0.136 0.000 1.037 30 T CA 2.396 64.389 62.100 -0.179 0.000 1.144 30 T CB -0.801 67.859 68.868 -0.348 0.000 0.864 30 T HN 0.794 nan 8.240 nan 0.000 0.444 31 T N 1.474 115.988 114.554 -0.066 0.000 2.674 31 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 31 T C 2.000 176.676 174.700 -0.040 0.000 1.039 31 T CA 1.199 63.277 62.100 -0.037 0.000 1.150 31 T CB -0.188 68.678 68.868 -0.003 0.000 0.864 31 T HN 0.354 nan 8.240 nan 0.000 0.427 32 K N 0.412 120.789 120.400 -0.038 0.000 2.057 32 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 32 K C 2.259 178.831 176.600 -0.047 0.000 1.049 32 K CA 0.973 57.239 56.287 -0.035 0.000 0.931 32 K CB -0.300 32.181 32.500 -0.031 0.000 0.714 32 K HN 0.125 nan 8.250 nan 0.000 0.440 33 V N 0.991 120.864 119.914 -0.068 0.000 2.295 33 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 33 V C 2.333 178.388 176.094 -0.065 0.000 1.049 33 V CA 2.020 64.272 62.300 -0.080 0.000 1.024 33 V CB -0.581 31.169 31.823 -0.122 0.000 0.648 33 V HN 0.442 nan 8.190 nan 0.000 0.447 34 A N 0.179 122.957 122.820 -0.071 0.000 1.902 34 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 34 A C 2.463 180.029 177.584 -0.030 0.000 1.181 34 A CA 2.694 54.700 52.037 -0.052 0.000 0.623 34 A CB -0.736 18.228 19.000 -0.060 0.000 0.818 34 A HN 0.538 nan 8.150 nan 0.000 0.443 35 K N 0.032 120.415 120.400 -0.028 0.000 2.057 35 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 35 K C 2.185 178.775 176.600 -0.017 0.000 1.049 35 K CA 1.597 57.874 56.287 -0.018 0.000 0.931 35 K CB -0.641 31.850 32.500 -0.015 0.000 0.714 35 K HN 0.631 nan 8.250 nan 0.000 0.440 36 R N -0.212 120.275 120.500 -0.023 0.000 2.081 36 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 36 R C 2.373 178.663 176.300 -0.016 0.000 1.131 36 R CA 1.457 57.544 56.100 -0.020 0.000 0.960 36 R CB -0.470 29.814 30.300 -0.026 0.000 0.856 36 R HN 0.300 nan 8.270 nan 0.000 0.436 37 V N -0.678 119.225 119.914 -0.018 0.000 2.719 37 V HA 0.027 4.147 4.120 -0.000 0.000 0.252 37 V C 1.326 177.417 176.094 -0.005 0.000 1.065 37 V CA 1.383 63.677 62.300 -0.010 0.000 1.086 37 V CB -0.163 31.655 31.823 -0.008 0.000 0.700 37 V HN 0.723 nan 8.190 nan 0.000 0.467 38 G N 1.079 109.875 108.800 -0.007 0.000 2.142 38 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.225 38 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.225 38 G C -0.001 174.899 174.900 0.000 0.000 1.015 38 G CA 0.321 45.419 45.100 -0.003 0.000 0.716 38 G HN 0.710 nan 8.290 nan 0.000 0.508 39 I N -3.004 117.565 120.570 -0.001 0.000 3.067 39 I HA 0.922 5.092 4.170 -0.000 0.000 0.312 39 I C 0.589 176.707 176.117 0.002 0.000 1.073 39 I CA -1.266 60.036 61.300 0.004 0.000 1.016 39 I CB 1.798 39.802 38.000 0.008 0.000 1.227 39 I HN 0.450 nan 8.210 nan 0.000 0.456 40 A N 1.989 124.816 122.820 0.011 0.000 2.425 40 A HA 0.177 4.497 4.320 -0.000 0.000 0.242 40 A C 0.907 178.497 177.584 0.011 0.000 1.077 40 A CA -0.045 52.003 52.037 0.019 0.000 0.781 40 A CB 0.304 19.323 19.000 0.033 0.000 1.020 40 A HN 0.912 nan 8.150 nan 0.000 0.494 41 Q N 0.930 120.740 119.800 0.017 0.000 2.124 41 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 41 Q C 2.361 178.392 176.000 0.052 0.000 0.977 41 Q CA 1.851 57.638 55.803 -0.026 0.000 0.850 41 Q CB -0.263 28.499 28.738 0.040 0.000 0.901 41 Q HN 1.050 nan 8.270 nan 0.000 0.429 42 S N 0.535 116.335 115.700 0.166 0.000 2.387 42 S HA -0.267 4.202 4.470 -0.000 0.000 0.230 42 S C 1.598 176.283 174.600 0.141 0.000 1.035 42 S CA 1.651 59.978 58.200 0.211 0.000 1.014 42 S CB -0.530 62.746 63.200 0.127 0.000 0.836 42 S HN 0.426 nan 8.310 nan 0.000 0.466 43 N N 0.399 119.143 118.700 0.073 0.000 2.188 43 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 43 N C 1.525 177.065 175.510 0.050 0.000 1.018 43 N CA 1.194 54.275 53.050 0.052 0.000 0.858 43 N CB -0.121 38.386 38.487 0.032 0.000 0.989 43 N HN 0.325 nan 8.380 nan 0.000 0.426 44 V N 0.023 119.938 119.914 0.003 0.000 2.453 44 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 44 V C 1.238 177.350 176.094 0.030 0.000 1.048 44 V CA 1.280 63.571 62.300 -0.015 0.000 1.049 44 V CB -0.671 31.052 31.823 -0.166 0.000 0.672 44 V HN 0.374 nan 8.190 nan 0.000 0.457 45 Y N -0.190 120.163 120.300 0.089 0.000 2.571 45 Y HA 0.015 4.565 4.550 -0.000 0.000 0.294 45 Y C 2.068 177.987 175.900 0.032 0.000 1.141 45 Y CA 0.533 58.676 58.100 0.071 0.000 1.308 45 Y CB -0.592 37.897 38.460 0.048 0.000 1.002 45 Y HN 0.195 nan 8.280 nan 0.000 0.551 46 L N -2.082 119.227 121.223 0.143 0.000 2.291 46 L HA -0.183 4.157 4.340 -0.000 0.000 0.214 46 L C 2.545 179.395 176.870 -0.034 0.000 1.120 46 L CA 1.576 56.447 54.840 0.052 0.000 0.799 46 L CB -0.772 41.304 42.059 0.029 0.000 0.925 46 L HN 0.470 nan 8.230 nan 0.000 0.446 47 Y N -1.662 118.587 120.300 -0.084 0.000 2.581 47 Y HA 0.330 4.879 4.550 -0.000 0.000 0.271 47 Y C 0.647 176.111 175.900 -0.728 0.000 1.100 47 Y CA -0.518 57.335 58.100 -0.411 0.000 1.281 47 Y CB 0.204 38.395 38.460 -0.448 0.000 1.237 47 Y HN -0.010 nan 8.280 nan 0.000 0.514 48 F N 0.552 120.533 119.950 0.053 0.000 2.557 48 F HA 0.389 4.916 4.527 -0.000 0.000 0.316 48 F C 0.793 176.679 175.800 0.144 0.000 1.141 48 F CA -1.645 56.392 58.000 0.061 0.000 0.922 48 F CB 2.115 41.125 39.000 0.017 0.000 1.194 48 F HN 0.097 nan 8.300 nan 0.000 0.443 49 K N 0.353 120.926 120.400 0.288 0.000 2.305 49 K HA 0.162 4.482 4.320 -0.000 0.000 0.199 49 K C -0.169 176.634 176.600 0.339 0.000 1.047 49 K CA 0.910 57.363 56.287 0.275 0.000 0.976 49 K CB -0.029 32.553 32.500 0.135 0.000 0.765 49 K HN 0.712 nan 8.250 nan 0.000 0.474 50 N N -0.602 118.271 118.700 0.288 0.000 3.261 50 N HA -0.031 4.709 4.740 -0.000 0.000 0.248 50 N C -0.252 175.335 175.510 0.128 0.000 1.498 50 N CA -0.943 52.248 53.050 0.235 0.000 0.884 50 N CB 0.929 39.510 38.487 0.158 0.000 1.428 50 N HN -0.080 nan 8.380 nan 0.000 0.517 51 K N -0.593 119.854 120.400 0.079 0.000 2.032 51 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 51 K C 1.447 178.053 176.600 0.009 0.000 1.048 51 K CA 2.027 58.325 56.287 0.017 0.000 0.927 51 K CB -0.192 32.316 32.500 0.015 0.000 0.712 51 K HN 0.519 nan 8.250 nan 0.000 0.441 52 Q N 0.585 120.403 119.800 0.030 0.000 2.061 52 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 52 Q C 1.887 177.913 176.000 0.043 0.000 0.984 52 Q CA 2.243 58.060 55.803 0.024 0.000 0.846 52 Q CB -0.536 28.218 28.738 0.027 0.000 0.902 52 Q HN 0.468 nan 8.270 nan 0.000 0.421 53 A N -0.066 122.807 122.820 0.089 0.000 1.940 53 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 53 A C 2.123 179.780 177.584 0.122 0.000 1.176 53 A CA 1.538 53.673 52.037 0.163 0.000 0.631 53 A CB -0.806 18.345 19.000 0.253 0.000 0.814 53 A HN 0.454 nan 8.150 nan 0.000 0.446 54 L N -0.820 120.371 121.223 -0.052 0.000 2.017 54 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 54 L C 2.512 179.261 176.870 -0.202 0.000 1.073 54 L CA 1.463 56.087 54.840 -0.361 0.000 0.745 54 L CB -0.520 41.340 42.059 -0.332 0.000 0.894 54 L HN 0.371 nan 8.230 nan 0.000 0.432 55 I N -0.270 120.251 120.570 -0.083 0.000 2.179 55 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 55 I C 2.101 178.239 176.117 0.036 0.000 1.088 55 I CA 1.237 62.520 61.300 -0.027 0.000 1.357 55 I CB -0.388 37.599 38.000 -0.022 0.000 1.051 55 I HN 0.245 nan 8.210 nan 0.000 0.409 56 D N 0.063 120.494 120.400 0.051 0.000 2.144 56 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 56 D C 2.295 178.686 176.300 0.152 0.000 0.984 56 D CA 1.416 55.479 54.000 0.106 0.000 0.834 56 D CB -0.254 40.601 40.800 0.091 0.000 0.955 56 D HN 0.171 nan 8.370 nan 0.000 0.465 57 S N -0.317 115.461 115.700 0.129 0.000 2.356 57 S HA -0.116 4.353 4.470 -0.000 0.000 0.223 57 S C 2.099 176.760 174.600 0.102 0.000 1.032 57 S CA 0.975 59.273 58.200 0.164 0.000 1.005 57 S CB -0.232 63.144 63.200 0.294 0.000 0.867 57 S HN 0.050 nan 8.310 nan 0.000 0.449 58 V N 0.855 120.797 119.914 0.047 0.000 2.358 58 V HA -0.103 4.016 4.120 -0.000 0.000 0.246 58 V C 2.056 178.198 176.094 0.079 0.000 1.047 58 V CA 2.001 64.325 62.300 0.041 0.000 1.035 58 V CB -1.000 30.826 31.823 0.005 0.000 0.658 58 V HN 0.645 nan 8.190 nan 0.000 0.452 59 Y N 1.558 121.860 120.300 0.003 0.000 2.081 59 Y HA -0.326 4.223 4.550 -0.000 0.000 0.280 59 Y C 2.431 178.340 175.900 0.015 0.000 1.163 59 Y CA 1.923 60.027 58.100 0.008 0.000 1.135 59 Y CB -0.640 37.821 38.460 0.002 0.000 0.970 59 Y HN 0.162 nan 8.280 nan 0.000 0.498 60 A N 0.129 122.983 122.820 0.056 0.000 1.930 60 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 60 A C 2.382 179.934 177.584 -0.052 0.000 1.175 60 A CA 1.576 53.603 52.037 -0.016 0.000 0.627 60 A CB -0.792 18.251 19.000 0.072 0.000 0.815 60 A HN 0.537 nan 8.150 nan 0.000 0.443 61 R N -0.354 120.141 120.500 -0.008 0.000 2.080 61 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 61 R C 2.021 178.304 176.300 -0.029 0.000 1.137 61 R CA 1.817 57.916 56.100 -0.002 0.000 0.943 61 R CB -0.236 30.083 30.300 0.031 0.000 0.846 61 R HN 0.462 nan 8.270 nan 0.000 0.431 62 E N -0.079 120.092 120.200 -0.048 0.000 2.038 62 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 62 E C 2.081 178.604 176.600 -0.128 0.000 1.000 62 E CA 2.123 58.503 56.400 -0.033 0.000 0.803 62 E CB -0.755 28.929 29.700 -0.027 0.000 0.750 62 E HN 0.598 nan 8.360 nan 0.000 0.448 63 T N -0.688 113.705 114.554 -0.269 0.000 2.788 63 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 63 T C 1.658 176.234 174.700 -0.207 0.000 1.044 63 T CA 1.604 63.533 62.100 -0.286 0.000 1.139 63 T CB -0.463 68.145 68.868 -0.434 0.000 0.867 63 T HN 0.022 nan 8.240 nan 0.000 0.454 64 N N 0.555 119.160 118.700 -0.158 0.000 2.453 64 N HA 0.101 4.841 4.740 -0.000 0.000 0.183 64 N C 1.989 177.417 175.510 -0.136 0.000 1.041 64 N CA 0.347 53.330 53.050 -0.112 0.000 0.900 64 N CB -0.169 38.282 38.487 -0.062 0.000 0.961 64 N HN 0.355 nan 8.380 nan 0.000 0.443 65 R N 0.094 120.485 120.500 -0.182 0.000 2.276 65 R HA 0.136 4.476 4.340 -0.000 0.000 0.203 65 R C 1.433 177.373 176.300 -0.600 0.000 1.017 65 R CA 0.344 56.317 56.100 -0.210 0.000 1.010 65 R CB -0.001 30.323 30.300 0.039 0.000 0.900 65 R HN 0.326 nan 8.270 nan 0.000 0.469 66 I N 0.560 120.684 120.570 -0.744 0.000 2.163 66 I HA -0.190 3.980 4.170 -0.000 0.000 0.240 66 I C 0.652 176.582 176.117 -0.312 0.000 1.081 66 I CA 1.186 61.986 61.300 -0.833 0.000 1.353 66 I CB 0.023 37.762 38.000 -0.435 0.000 1.054 66 I HN -0.013 nan 8.210 nan 0.000 0.407 67 L N 0.262 121.397 121.223 -0.146 0.000 2.365 67 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 67 L C 0.250 177.098 176.870 -0.036 0.000 1.000 67 L CA -0.628 54.190 54.840 -0.038 0.000 0.819 67 L CB 1.842 43.926 42.059 0.042 0.000 1.284 67 L HN 0.126 nan 8.230 nan 0.000 0.418 68 S N 0.131 115.820 115.700 -0.018 0.000 2.655 68 S HA 0.241 4.711 4.470 -0.000 0.000 0.265 68 S C 1.012 175.609 174.600 -0.006 0.000 1.240 68 S CA -0.195 57.998 58.200 -0.012 0.000 0.986 68 S CB 1.272 64.469 63.200 -0.006 0.000 0.985 68 S HN 0.647 nan 8.310 nan 0.000 0.562 69 T N 1.458 116.009 114.554 -0.006 0.000 2.708 69 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 69 T C 1.911 176.610 174.700 -0.002 0.000 1.037 69 T CA 2.033 64.131 62.100 -0.004 0.000 1.146 69 T CB -1.178 67.687 68.868 -0.004 0.000 0.865 69 T HN 0.771 nan 8.240 nan 0.000 0.435 70 T N 2.364 116.916 114.554 -0.003 0.000 2.624 70 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 70 T C 1.732 176.431 174.700 -0.001 0.000 1.041 70 T CA 1.687 63.785 62.100 -0.004 0.000 1.159 70 T CB -0.652 68.213 68.868 -0.005 0.000 0.863 70 T HN 0.389 nan 8.240 nan 0.000 0.434 71 D N 0.856 121.257 120.400 0.002 0.000 2.092 71 D HA -0.062 4.578 4.640 -0.000 0.000 0.193 71 D C 2.080 178.390 176.300 0.018 0.000 0.994 71 D CA 0.783 54.791 54.000 0.013 0.000 0.828 71 D CB -0.511 40.304 40.800 0.026 0.000 0.963 71 D HN 0.149 nan 8.370 nan 0.000 0.450 72 L N 1.176 122.406 121.223 0.013 0.000 2.131 72 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 72 L C 1.735 178.604 176.870 -0.001 0.000 1.092 72 L CA 1.553 56.397 54.840 0.006 0.000 0.759 72 L CB -0.783 41.277 42.059 0.000 0.000 0.903 72 L HN -0.067 nan 8.230 nan 0.000 0.435 73 D N -0.920 119.479 120.400 -0.001 0.000 2.117 73 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 73 D C 2.369 178.667 176.300 -0.004 0.000 0.982 73 D CA 0.872 54.870 54.000 -0.004 0.000 0.828 73 D CB 0.014 40.812 40.800 -0.004 0.000 0.967 73 D HN 0.229 nan 8.370 nan 0.000 0.464 74 R N 0.128 120.626 120.500 -0.003 0.000 2.081 74 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 74 R C 2.456 178.755 176.300 -0.002 0.000 1.131 74 R CA 0.742 56.839 56.100 -0.004 0.000 0.960 74 R CB -0.363 29.934 30.300 -0.005 0.000 0.856 74 R HN 0.215 nan 8.270 nan 0.000 0.436 75 L N 0.583 121.807 121.223 0.001 0.000 2.201 75 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 75 L C 2.140 178.999 176.870 -0.017 0.000 1.105 75 L CA 1.175 56.012 54.840 -0.005 0.000 0.775 75 L CB -0.339 41.714 42.059 -0.010 0.000 0.913 75 L HN 0.267 nan 8.230 nan 0.000 0.440 76 S N -2.522 113.169 115.700 -0.014 0.000 2.575 76 S HA -0.007 4.462 4.470 -0.000 0.000 0.215 76 S C 0.573 175.168 174.600 -0.009 0.000 0.966 76 S CA -0.457 57.734 58.200 -0.015 0.000 0.911 76 S CB -0.282 62.909 63.200 -0.014 0.000 0.780 76 S HN 0.228 nan 8.310 nan 0.000 0.514 77 D N 2.875 123.271 120.400 -0.007 0.000 2.352 77 D HA 0.221 4.861 4.640 -0.000 0.000 0.245 77 D C 1.232 177.530 176.300 -0.003 0.000 1.224 77 D CA 0.077 54.074 54.000 -0.005 0.000 0.879 77 D CB 1.344 42.141 40.800 -0.005 0.000 1.057 77 D HN 0.298 nan 8.370 nan 0.000 0.491 78 S N 1.488 117.186 115.700 -0.002 0.000 2.515 78 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 78 S C 1.757 176.358 174.600 0.002 0.000 0.987 78 S CA 1.118 59.318 58.200 0.000 0.000 0.936 78 S CB -0.495 62.705 63.200 0.000 0.000 0.766 78 S HN 0.535 nan 8.310 nan 0.000 0.528 79 T N -0.155 114.400 114.554 0.001 0.000 3.055 79 T HA 0.232 4.582 4.350 -0.000 0.000 0.265 79 T C 0.709 175.410 174.700 0.002 0.000 1.111 79 T CA -0.050 62.051 62.100 0.002 0.000 1.118 79 T CB -0.545 68.323 68.868 0.000 0.000 0.909 79 T HN 0.272 nan 8.240 nan 0.000 0.501 80 I N 4.250 124.820 120.570 0.001 0.000 2.395 80 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 80 I C 0.511 176.630 176.117 0.005 0.000 1.023 80 I CA -1.775 59.525 61.300 -0.000 0.000 1.350 80 I CB 0.747 38.744 38.000 -0.005 0.000 1.409 80 I HN 0.448 nan 8.210 nan 0.000 0.507 81 D N 5.625 126.029 120.400 0.006 0.000 2.399 81 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 81 D C 1.196 177.508 176.300 0.019 0.000 1.133 81 D CA -0.359 53.651 54.000 0.016 0.000 0.890 81 D CB 2.016 42.828 40.800 0.020 0.000 1.201 81 D HN 0.374 nan 8.370 nan 0.000 0.432 82 V N 0.381 120.317 119.914 0.037 0.000 2.594 82 V HA -0.204 3.915 4.120 -0.000 0.000 0.253 82 V C 2.102 178.230 176.094 0.057 0.000 1.069 82 V CA 1.733 64.063 62.300 0.049 0.000 1.082 82 V CB -1.240 30.621 31.823 0.064 0.000 0.680 82 V HN 0.643 nan 8.190 nan 0.000 0.469 83 T N 0.782 115.367 114.554 0.053 0.000 2.777 83 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 83 T C 1.959 176.583 174.700 -0.127 0.000 1.040 83 T CA 2.300 64.389 62.100 -0.018 0.000 1.141 83 T CB -0.528 68.362 68.868 0.037 0.000 0.868 83 T HN 0.672 nan 8.240 nan 0.000 0.444 84 T N 1.948 116.461 114.554 -0.068 0.000 2.708 84 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 84 T C 2.163 176.827 174.700 -0.060 0.000 1.037 84 T CA 1.034 63.088 62.100 -0.076 0.000 1.146 84 T CB -0.168 68.674 68.868 -0.045 0.000 0.865 84 T HN 0.345 nan 8.240 nan 0.000 0.435 85 R N 0.291 120.780 120.500 -0.019 0.000 2.096 85 R HA 0.058 4.398 4.340 -0.000 0.000 0.235 85 R C 2.483 178.815 176.300 0.053 0.000 1.127 85 R CA 1.073 57.178 56.100 0.009 0.000 0.968 85 R CB -0.527 29.781 30.300 0.014 0.000 0.861 85 R HN 0.405 nan 8.270 nan 0.000 0.440 86 I N 0.461 121.071 120.570 0.067 0.000 2.163 86 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 86 I C 2.834 179.025 176.117 0.124 0.000 1.085 86 I CA 1.334 62.735 61.300 0.168 0.000 1.347 86 I CB -0.330 37.808 38.000 0.230 0.000 1.044 86 I HN 0.181 nan 8.210 nan 0.000 0.408 87 R N 1.491 121.948 120.500 -0.072 0.000 2.080 87 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 87 R C 2.383 178.533 176.300 -0.249 0.000 1.137 87 R CA 1.653 57.569 56.100 -0.306 0.000 0.943 87 R CB -0.371 29.704 30.300 -0.376 0.000 0.846 87 R HN 0.300 nan 8.270 nan 0.000 0.431 88 L N -0.126 121.011 121.223 -0.144 0.000 2.043 88 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 88 L C 2.587 179.422 176.870 -0.058 0.000 1.075 88 L CA 1.698 56.465 54.840 -0.121 0.000 0.752 88 L CB -0.799 41.228 42.059 -0.054 0.000 0.891 88 L HN 0.315 nan 8.230 nan 0.000 0.432 89 Y N 0.519 120.778 120.300 -0.068 0.000 2.114 89 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 89 Y C 2.399 178.297 175.900 -0.003 0.000 1.143 89 Y CA 1.713 59.806 58.100 -0.012 0.000 1.135 89 Y CB -0.517 37.972 38.460 0.048 0.000 0.980 89 Y HN -0.155 nan 8.280 nan 0.000 0.499 90 V N 0.911 120.723 119.914 -0.170 0.000 2.427 90 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 90 V C 2.388 178.401 176.094 -0.135 0.000 1.051 90 V CA 2.139 64.345 62.300 -0.156 0.000 1.048 90 V CB -0.896 31.074 31.823 0.245 0.000 0.666 90 V HN 0.508 nan 8.190 nan 0.000 0.456 91 Q N -0.048 119.532 119.800 -0.367 0.000 2.084 91 Q HA -0.291 4.049 4.340 -0.000 0.000 0.202 91 Q C 2.298 178.069 176.000 -0.381 0.000 0.978 91 Q CA 2.023 57.316 55.803 -0.849 0.000 0.844 91 Q CB -0.182 27.809 28.738 -1.245 0.000 0.898 91 Q HN 0.605 nan 8.270 nan 0.000 0.426 92 Q N -0.007 119.636 119.800 -0.260 0.000 2.050 92 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 92 Q C 1.973 177.922 176.000 -0.084 0.000 0.980 92 Q CA 2.173 57.895 55.803 -0.135 0.000 0.840 92 Q CB -0.514 28.170 28.738 -0.090 0.000 0.898 92 Q HN 0.357 nan 8.270 nan 0.000 0.424 93 V N 0.389 120.175 119.914 -0.214 0.000 2.332 93 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 93 V C 2.071 178.154 176.094 -0.019 0.000 1.055 93 V CA 2.162 64.343 62.300 -0.200 0.000 1.038 93 V CB -0.959 30.514 31.823 -0.583 0.000 0.651 93 V HN 0.486 nan 8.190 nan 0.000 0.450 94 Y N 1.462 121.698 120.300 -0.107 0.000 2.097 94 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 94 Y C 2.477 178.379 175.900 0.004 0.000 1.152 94 Y CA 2.274 60.383 58.100 0.015 0.000 1.136 94 Y CB -0.364 38.180 38.460 0.141 0.000 0.975 94 Y HN 0.303 nan 8.280 nan 0.000 0.498 95 D N -0.834 119.626 120.400 0.101 0.000 2.097 95 D HA -0.244 4.395 4.640 -0.000 0.000 0.195 95 D C 1.959 178.228 176.300 -0.052 0.000 0.989 95 D CA 1.773 55.772 54.000 -0.002 0.000 0.827 95 D CB -1.000 39.809 40.800 0.015 0.000 0.966 95 D HN 0.503 nan 8.370 nan 0.000 0.456 96 Y N 1.581 121.832 120.300 -0.083 0.000 2.081 96 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 96 Y C 2.613 178.465 175.900 -0.079 0.000 1.163 96 Y CA 2.082 60.139 58.100 -0.070 0.000 1.135 96 Y CB -0.616 37.810 38.460 -0.056 0.000 0.970 96 Y HN -0.100 nan 8.280 nan 0.000 0.498 97 S N -0.200 115.368 115.700 -0.219 0.000 2.356 97 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 97 S C 2.039 176.457 174.600 -0.304 0.000 1.032 97 S CA 1.612 59.650 58.200 -0.270 0.000 1.005 97 S CB -0.635 62.519 63.200 -0.078 0.000 0.867 97 S HN 0.530 nan 8.310 nan 0.000 0.449 98 L N 0.812 121.853 121.223 -0.303 0.000 2.201 98 L HA -0.015 4.325 4.340 -0.000 0.000 0.212 98 L C 2.723 179.453 176.870 -0.232 0.000 1.105 98 L CA 1.099 55.772 54.840 -0.279 0.000 0.775 98 L CB -0.514 41.352 42.059 -0.323 0.000 0.913 98 L HN 0.405 nan 8.230 nan 0.000 0.440 99 A N -0.808 121.858 122.820 -0.257 0.000 2.072 99 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 99 A C 0.918 178.349 177.584 -0.256 0.000 1.156 99 A CA 0.536 52.445 52.037 -0.213 0.000 0.701 99 A CB -0.040 18.858 19.000 -0.170 0.000 0.816 99 A HN 0.416 nan 8.150 nan 0.000 0.458 100 N N 0.101 118.563 118.700 -0.398 0.000 2.844 100 N HA 0.195 4.935 4.740 -0.000 0.000 0.268 100 N C -2.575 172.770 175.510 -0.274 0.000 1.574 100 N CA -1.004 51.819 53.050 -0.379 0.000 0.838 100 N CB 1.137 39.238 38.487 -0.644 0.000 1.177 100 N HN 0.082 nan 8.380 nan 0.000 0.495 101 P HA -0.037 nan 4.420 nan 0.000 0.228 101 P C 0.411 177.686 177.300 -0.042 0.000 1.151 101 P CA 1.160 64.194 63.100 -0.110 0.000 0.770 101 P CB 0.445 32.084 31.700 -0.102 0.000 0.786 102 D N -2.219 118.156 120.400 -0.043 0.000 2.398 102 D HA 0.055 4.695 4.640 -0.000 0.000 0.210 102 D C 1.785 178.089 176.300 0.006 0.000 1.094 102 D CA 0.312 54.314 54.000 0.003 0.000 0.839 102 D CB -0.021 40.778 40.800 -0.003 0.000 0.963 102 D HN 0.023 nan 8.370 nan 0.000 0.506 103 S N 0.483 116.173 115.700 -0.017 0.000 2.355 103 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 103 S C 1.865 176.488 174.600 0.039 0.000 1.031 103 S CA 0.717 58.942 58.200 0.042 0.000 0.993 103 S CB 0.033 63.301 63.200 0.114 0.000 0.859 103 S HN 0.047 nan 8.310 nan 0.000 0.453 104 L N 1.415 122.633 121.223 -0.008 0.000 2.083 104 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 104 L C 2.679 179.346 176.870 -0.338 0.000 1.083 104 L CA 1.736 56.488 54.840 -0.147 0.000 0.752 104 L CB -1.329 40.593 42.059 -0.229 0.000 0.899 104 L HN 0.294 nan 8.230 nan 0.000 0.433 105 T N -0.482 113.933 114.554 -0.232 0.000 2.746 105 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 105 T C 1.974 176.686 174.700 0.019 0.000 1.039 105 T CA 1.592 63.687 62.100 -0.008 0.000 1.142 105 T CB -0.261 68.723 68.868 0.192 0.000 0.866 105 T HN 0.181 nan 8.240 nan 0.000 0.444 106 I N 0.447 121.031 120.570 0.023 0.000 2.142 106 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 106 I C 2.253 178.414 176.117 0.074 0.000 1.078 106 I CA 1.274 62.602 61.300 0.045 0.000 1.343 106 I CB -0.373 37.651 38.000 0.041 0.000 1.046 106 I HN 0.202 nan 8.210 nan 0.000 0.405 107 I N 0.321 120.930 120.570 0.066 0.000 2.118 107 I HA -0.390 3.780 4.170 -0.000 0.000 0.241 107 I C 2.730 178.935 176.117 0.146 0.000 1.070 107 I CA 1.801 63.179 61.300 0.130 0.000 1.327 107 I CB -0.455 37.562 38.000 0.028 0.000 1.034 107 I HN 0.355 nan 8.210 nan 0.000 0.405 108 Q N 0.420 120.252 119.800 0.053 0.000 2.096 108 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 108 Q C 2.315 178.353 176.000 0.064 0.000 0.982 108 Q CA 1.532 57.367 55.803 0.053 0.000 0.850 108 Q CB -0.013 28.745 28.738 0.032 0.000 0.901 108 Q HN 0.434 nan 8.270 nan 0.000 0.422 109 Q N 0.202 120.040 119.800 0.064 0.000 2.084 109 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 109 Q C 2.195 178.217 176.000 0.037 0.000 0.978 109 Q CA 1.437 57.271 55.803 0.052 0.000 0.844 109 Q CB -0.162 28.606 28.738 0.050 0.000 0.898 109 Q HN 0.547 nan 8.270 nan 0.000 0.426 110 I N 0.486 121.090 120.570 0.056 0.000 2.202 110 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 110 I C 2.383 178.463 176.117 -0.062 0.000 1.091 110 I CA 1.083 62.391 61.300 0.013 0.000 1.368 110 I CB -0.254 37.796 38.000 0.084 0.000 1.058 110 I HN 0.140 nan 8.210 nan 0.000 0.410 111 K N 0.959 121.345 120.400 -0.024 0.000 2.063 111 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 111 K C 2.265 178.842 176.600 -0.039 0.000 1.048 111 K CA 1.642 57.894 56.287 -0.058 0.000 0.928 111 K CB -0.296 32.218 32.500 0.023 0.000 0.713 111 K HN 0.326 nan 8.250 nan 0.000 0.442 112 A N 1.054 123.870 122.820 -0.006 0.000 1.940 112 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 112 A C 2.067 179.642 177.584 -0.015 0.000 1.176 112 A CA 1.374 53.411 52.037 -0.001 0.000 0.631 112 A CB -0.439 18.571 19.000 0.017 0.000 0.814 112 A HN 0.288 nan 8.150 nan 0.000 0.446 113 L N -0.676 120.532 121.223 -0.025 0.000 2.209 113 L HA -0.034 4.305 4.340 -0.000 0.000 0.207 113 L C 1.988 178.831 176.870 -0.045 0.000 1.094 113 L CA 1.219 56.042 54.840 -0.029 0.000 0.790 113 L CB -0.278 41.765 42.059 -0.027 0.000 0.932 113 L HN 0.281 nan 8.230 nan 0.000 0.447 114 N N 0.766 119.423 118.700 -0.072 0.000 2.081 114 N HA 0.009 4.749 4.740 -0.000 0.000 0.191 114 N C 0.852 176.326 175.510 -0.060 0.000 1.053 114 N CA 1.346 54.346 53.050 -0.084 0.000 0.846 114 N CB -0.749 37.651 38.487 -0.146 0.000 1.032 114 N HN 0.299 nan 8.380 nan 0.000 0.431 115 G N 0.912 109.678 108.800 -0.058 0.000 2.438 115 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.272 115 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.272 115 G C 0.238 175.118 174.900 -0.033 0.000 0.991 115 G CA 0.758 45.836 45.100 -0.037 0.000 1.348 115 G HN 0.728 nan 8.290 nan 0.000 0.483 125 A N -0.113 122.682 122.820 -0.040 0.000 4.236 125 A HA 0.284 4.604 4.320 -0.000 0.000 0.176 125 A C 0.770 178.340 177.584 -0.022 0.000 1.279 125 A CA 1.404 53.411 52.037 -0.050 0.000 1.149 125 A CB -2.185 nan 19.000 nan 0.000 0.972 125 A HN 1.615 nan 8.150 nan 0.000 0.701 126 D N -1.844 118.549 120.400 -0.011 0.000 3.321 126 D HA -0.256 4.384 4.640 -0.000 0.000 0.178 126 D C 0.060 176.359 176.300 -0.002 0.000 1.208 126 D CA 3.282 57.278 54.000 -0.006 0.000 1.074 126 D CB -1.436 39.359 40.800 -0.008 0.000 0.560 126 D HN 1.060 nan 8.370 nan 0.000 0.618 127 P HA -0.042 nan 4.420 nan 0.000 0.215 127 P C 0.926 178.226 177.300 0.000 0.000 1.153 127 P CA 3.791 66.893 63.100 0.003 0.000 0.853 127 P CB -0.776 30.926 31.700 0.004 0.000 0.788 128 N N -2.373 116.325 118.700 -0.004 0.000 2.276 128 N HA 0.344 5.084 4.740 -0.000 0.000 0.212 128 N C 0.841 176.345 175.510 -0.011 0.000 1.127 128 N CA 1.469 54.515 53.050 -0.006 0.000 0.834 128 N CB -1.279 37.204 38.487 -0.007 0.000 1.014 128 N HN 0.821 nan 8.380 nan 0.000 0.491 129 N N -0.537 118.155 118.700 -0.013 0.000 2.714 129 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 129 N C 1.207 176.697 175.510 -0.032 0.000 1.117 129 N CA 1.164 54.203 53.050 -0.019 0.000 0.719 129 N CB -2.563 35.917 38.487 -0.012 0.000 1.081 129 N HN 0.680 nan 8.380 nan 0.000 0.557 130 I N -0.452 120.095 120.570 -0.038 0.000 2.118 130 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 130 I C 2.422 178.484 176.117 -0.091 0.000 1.070 130 I CA 2.301 63.570 61.300 -0.052 0.000 1.327 130 I CB -0.249 37.725 38.000 -0.044 0.000 1.034 130 I HN 0.496 nan 8.210 nan 0.000 0.405 131 V N 0.821 120.652 119.914 -0.137 0.000 2.307 131 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 131 V C 2.678 178.686 176.094 -0.144 0.000 1.045 131 V CA 1.963 64.116 62.300 -0.245 0.000 1.024 131 V CB -1.093 30.492 31.823 -0.396 0.000 0.651 131 V HN 0.515 nan 8.190 nan 0.000 0.449 132 A N 0.524 123.297 122.820 -0.079 0.000 1.902 132 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 132 A C 2.041 179.607 177.584 -0.031 0.000 1.181 132 A CA 2.193 54.209 52.037 -0.036 0.000 0.623 132 A CB -0.741 18.249 19.000 -0.016 0.000 0.818 132 A HN 0.587 nan 8.150 nan 0.000 0.443 133 N N -0.240 118.439 118.700 -0.035 0.000 2.166 133 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 133 N C 1.515 177.008 175.510 -0.028 0.000 1.019 133 N CA 1.399 54.433 53.050 -0.025 0.000 0.856 133 N CB -0.554 37.919 38.487 -0.023 0.000 0.993 133 N HN 0.437 nan 8.380 nan 0.000 0.426 134 L N 0.806 122.001 121.223 -0.046 0.000 2.017 134 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 134 L C 1.809 178.663 176.870 -0.027 0.000 1.073 134 L CA 1.424 56.241 54.840 -0.039 0.000 0.745 134 L CB -0.668 41.350 42.059 -0.067 0.000 0.894 134 L HN 0.135 nan 8.230 nan 0.000 0.432 135 L N -0.821 120.378 121.223 -0.039 0.000 2.056 135 L HA -0.168 4.171 4.340 -0.000 0.000 0.207 135 L C 2.580 179.423 176.870 -0.044 0.000 1.078 135 L CA 1.685 56.497 54.840 -0.046 0.000 0.749 135 L CB -1.309 40.731 42.059 -0.032 0.000 0.901 135 L HN 0.498 nan 8.230 nan 0.000 0.433 136 T N -2.116 112.427 114.554 -0.018 0.000 2.746 136 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 136 T C 1.964 176.661 174.700 -0.005 0.000 1.039 136 T CA 1.053 63.150 62.100 -0.005 0.000 1.142 136 T CB -0.408 68.462 68.868 0.003 0.000 0.866 136 T HN 0.302 nan 8.240 nan 0.000 0.444 137 A N 1.960 124.777 122.820 -0.005 0.000 1.902 137 A HA 0.306 4.626 4.320 -0.000 0.000 0.217 137 A C 2.845 180.433 177.584 0.007 0.000 1.181 137 A CA 1.979 54.018 52.037 0.002 0.000 0.623 137 A CB -1.414 17.588 19.000 0.003 0.000 0.818 137 A HN 0.805 nan 8.150 nan 0.000 0.443 138 A N -0.250 122.573 122.820 0.004 0.000 1.930 138 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 138 A C 2.106 179.686 177.584 -0.006 0.000 1.175 138 A CA 1.437 53.483 52.037 0.015 0.000 0.627 138 A CB -0.552 18.465 19.000 0.027 0.000 0.815 138 A HN 0.494 nan 8.150 nan 0.000 0.443 139 I N -0.382 120.171 120.570 -0.029 0.000 2.142 139 I HA -0.244 3.925 4.170 -0.000 0.000 0.240 139 I C 2.274 178.395 176.117 0.006 0.000 1.078 139 I CA 1.875 63.167 61.300 -0.013 0.000 1.343 139 I CB -0.371 37.631 38.000 0.002 0.000 1.046 139 I HN 0.346 nan 8.210 nan 0.000 0.405 140 D N 0.938 121.342 120.400 0.007 0.000 2.182 140 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 140 D C 1.962 178.270 176.300 0.013 0.000 0.986 140 D CA 1.368 55.374 54.000 0.011 0.000 0.847 140 D CB 0.079 40.885 40.800 0.010 0.000 0.942 140 D HN 0.329 nan 8.370 nan 0.000 0.467 141 A N -0.303 122.526 122.820 0.016 0.000 2.238 141 A HA 0.065 4.385 4.320 -0.000 0.000 0.208 141 A C 0.781 178.378 177.584 0.022 0.000 1.177 141 A CA 0.340 52.390 52.037 0.021 0.000 0.804 141 A CB -0.251 18.767 19.000 0.030 0.000 0.823 141 A HN 0.257 nan 8.150 nan 0.000 0.482 142 K N -1.538 118.872 120.400 0.016 0.000 3.069 142 K HA -0.163 4.157 4.320 -0.000 0.000 0.267 142 K C 0.659 177.265 176.600 0.011 0.000 1.082 142 K CA 0.643 56.937 56.287 0.010 0.000 0.782 142 K CB -2.186 30.318 32.500 0.008 0.000 1.230 142 K HN 0.348 nan 8.250 nan 0.000 0.488 143 V N 0.279 120.208 119.914 0.025 0.000 2.446 143 V HA -0.013 4.107 4.120 -0.000 0.000 0.244 143 V C 1.369 177.455 176.094 -0.014 0.000 1.039 143 V CA 1.759 64.090 62.300 0.053 0.000 1.045 143 V CB -0.188 31.709 31.823 0.122 0.000 0.681 143 V HN 0.458 nan 8.190 nan 0.000 0.459 144 I N -2.846 117.700 120.570 -0.040 0.000 2.910 144 I HA 0.501 4.670 4.170 -0.000 0.000 0.310 144 I C -0.104 176.008 176.117 -0.010 0.000 1.043 144 I CA -1.134 60.104 61.300 -0.104 0.000 1.053 144 I CB 1.502 39.378 38.000 -0.208 0.000 1.242 144 I HN -0.162 nan 8.210 nan 0.000 0.452 145 K N 2.188 122.651 120.400 0.107 0.000 2.485 145 K HA 0.033 4.353 4.320 -0.000 0.000 0.277 145 K C -0.262 176.437 176.600 0.165 0.000 0.990 145 K CA -0.161 56.195 56.287 0.115 0.000 0.994 145 K CB 0.278 32.826 32.500 0.080 0.000 0.906 145 K HN 0.488 nan 8.250 nan 0.000 0.488 146 Q N 3.146 122.992 119.800 0.077 0.000 3.107 146 Q HA 0.105 4.445 4.340 -0.000 0.000 0.268 146 Q C -0.330 175.711 176.000 0.068 0.000 1.382 146 Q CA 0.549 56.394 55.803 0.071 0.000 0.927 146 Q CB -0.598 28.160 28.738 0.033 0.000 1.755 146 Q HN 0.377 nan 8.270 nan 0.000 0.545 147 L N 0.967 122.264 121.223 0.123 0.000 2.309 147 L HA 0.547 4.887 4.340 -0.000 0.000 0.261 147 L C -2.254 174.669 176.870 0.089 0.000 1.021 147 L CA -2.536 52.323 54.840 0.032 0.000 0.823 147 L CB 2.002 43.983 42.059 -0.130 0.000 1.366 147 L HN 0.110 nan 8.230 nan 0.000 0.423 148 P HA 0.015 nan 4.420 nan 0.000 0.267 148 P C 0.822 178.207 177.300 0.143 0.000 1.200 148 P CA -0.260 62.882 63.100 0.070 0.000 0.772 148 P CB 0.661 32.379 31.700 0.030 0.000 0.855 149 V N 2.010 122.017 119.914 0.155 0.000 2.453 149 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 149 V C 2.254 178.445 176.094 0.160 0.000 1.068 149 V CA 2.710 65.122 62.300 0.186 0.000 1.070 149 V CB -1.426 30.459 31.823 0.103 0.000 0.664 149 V HN 0.730 nan 8.190 nan 0.000 0.461 150 S N -0.417 115.340 115.700 0.094 0.000 2.423 150 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 150 S C 1.901 176.544 174.600 0.071 0.000 1.014 150 S CA 1.119 59.362 58.200 0.071 0.000 0.965 150 S CB -0.409 62.815 63.200 0.039 0.000 0.785 150 S HN 0.521 nan 8.310 nan 0.000 0.495 151 L N 0.470 121.711 121.223 0.031 0.000 2.072 151 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 151 L C 1.495 178.346 176.870 -0.032 0.000 1.079 151 L CA 1.020 55.838 54.840 -0.037 0.000 0.752 151 L CB -0.914 41.064 42.059 -0.136 0.000 0.906 151 L HN 0.392 nan 8.230 nan 0.000 0.436 155 V N 1.640 121.662 119.914 0.180 0.000 2.343 155 V HA -0.097 4.023 4.120 -0.000 0.000 0.247 155 V C 2.782 178.992 176.094 0.193 0.000 1.051 155 V CA 2.699 65.089 62.300 0.150 0.000 1.036 155 V CB -0.270 31.607 31.823 0.091 0.000 0.654 155 V HN 0.208 nan 8.190 nan 0.000 0.451 156 V N -0.276 119.795 119.914 0.262 0.000 2.233 156 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 156 V C 2.213 178.386 176.094 0.132 0.000 1.050 156 V CA 2.867 65.300 62.300 0.220 0.000 1.010 156 V CB -0.860 31.142 31.823 0.298 0.000 0.637 156 V HN 0.558 nan 8.190 nan 0.000 0.444 157 F N 0.975 121.029 119.950 0.175 0.000 2.163 157 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 157 F C 2.795 178.705 175.800 0.183 0.000 1.094 157 F CA 1.543 59.640 58.000 0.162 0.000 1.290 157 F CB -0.535 38.547 39.000 0.136 0.000 1.017 157 F HN 0.250 nan 8.300 nan 0.000 0.483 158 S N -1.155 114.740 115.700 0.326 0.000 2.383 158 S HA -0.158 4.311 4.470 -0.000 0.000 0.227 158 S C 1.941 176.662 174.600 0.201 0.000 1.026 158 S CA 1.626 59.980 58.200 0.258 0.000 0.981 158 S CB -1.073 62.241 63.200 0.190 0.000 0.818 158 S HN 0.296 nan 8.310 nan 0.000 0.472 159 T N 2.838 117.491 114.554 0.164 0.000 2.708 159 T HA 0.121 4.471 4.350 -0.000 0.000 0.266 159 T C 1.760 176.566 174.700 0.177 0.000 1.037 159 T CA 1.543 63.720 62.100 0.129 0.000 1.146 159 T CB -0.490 68.432 68.868 0.091 0.000 0.865 159 T HN 0.386 nan 8.240 nan 0.000 0.435 160 I N 0.140 120.824 120.570 0.190 0.000 2.315 160 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 160 I C 2.525 178.781 176.117 0.232 0.000 1.117 160 I CA 1.363 62.795 61.300 0.220 0.000 1.404 160 I CB -0.429 37.646 38.000 0.125 0.000 1.071 160 I HN 0.427 nan 8.210 nan 0.000 0.419 161 H N 0.619 119.757 119.070 0.113 0.000 2.321 161 H HA -0.167 4.389 4.556 -0.000 0.000 0.300 161 H C 2.247 177.625 175.328 0.083 0.000 1.087 161 H CA 1.872 57.978 56.048 0.097 0.000 1.319 161 H CB 0.250 30.089 29.762 0.129 0.000 1.379 161 H HN 0.221 nan 8.280 nan 0.000 0.501 162 T N -0.395 114.176 114.554 0.030 0.000 2.684 162 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 162 T C 1.778 176.512 174.700 0.057 0.000 1.036 162 T CA 1.786 63.868 62.100 -0.030 0.000 1.148 162 T CB -0.614 68.274 68.868 0.034 0.000 0.863 162 T HN 0.522 nan 8.240 nan 0.000 0.436 163 H N 1.100 120.200 119.070 0.049 0.000 2.353 163 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 163 H C 2.231 177.576 175.328 0.027 0.000 1.090 163 H CA 1.980 58.096 56.048 0.113 0.000 1.327 163 H CB -0.658 29.201 29.762 0.163 0.000 1.383 163 H HN 0.228 nan 8.280 nan 0.000 0.508 164 T N -0.802 113.714 114.554 -0.063 0.000 2.708 164 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 164 T C 2.073 176.675 174.700 -0.163 0.000 1.037 164 T CA 2.316 64.323 62.100 -0.154 0.000 1.146 164 T CB -0.678 68.170 68.868 -0.032 0.000 0.865 164 T HN 0.730 nan 8.240 nan 0.000 0.435 165 T N 0.935 115.405 114.554 -0.140 0.000 2.904 165 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 165 T C 1.902 176.490 174.700 -0.186 0.000 1.059 165 T CA 0.890 62.896 62.100 -0.156 0.000 1.137 165 T CB -0.400 68.346 68.868 -0.202 0.000 0.879 165 T HN 0.138 nan 8.240 nan 0.000 0.467 166 N N 1.677 120.250 118.700 -0.211 0.000 2.104 166 N HA 0.025 4.765 4.740 -0.000 0.000 0.190 166 N C 1.815 177.025 175.510 -0.501 0.000 1.024 166 N CA 1.251 54.107 53.050 -0.323 0.000 0.853 166 N CB -0.457 37.836 38.487 -0.325 0.000 1.008 166 N HN 0.488 nan 8.380 nan 0.000 0.424 167 I N 0.414 120.686 120.570 -0.497 0.000 2.252 167 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 167 I C 1.915 177.882 176.117 -0.251 0.000 1.102 167 I CA 0.764 61.814 61.300 -0.417 0.000 1.385 167 I CB -0.130 37.662 38.000 -0.347 0.000 1.064 167 I HN 0.012 nan 8.210 nan 0.000 0.414 168 S N 0.340 115.921 115.700 -0.199 0.000 2.423 168 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 168 S C 1.796 176.325 174.600 -0.119 0.000 1.014 168 S CA 1.157 59.277 58.200 -0.134 0.000 0.965 168 S CB -0.178 62.960 63.200 -0.103 0.000 0.785 168 S HN 0.337 nan 8.310 nan 0.000 0.495 169 K N 0.501 120.816 120.400 -0.140 0.000 2.487 169 K HA 0.198 4.518 4.320 -0.000 0.000 0.192 169 K C 1.107 177.643 176.600 -0.106 0.000 1.027 169 K CA 0.378 56.600 56.287 -0.109 0.000 1.054 169 K CB -0.006 32.431 32.500 -0.106 0.000 0.824 169 K HN 0.371 nan 8.250 nan 0.000 0.510 170 G N 1.511 110.231 108.800 -0.133 0.000 2.160 170 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.251 170 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.251 170 G C 0.663 175.502 174.900 -0.102 0.000 1.008 170 G CA 0.485 45.523 45.100 -0.104 0.000 0.724 170 G HN 0.346 nan 8.290 nan 0.000 0.514 171 R N -1.211 119.177 120.500 -0.186 0.000 2.115 171 R HA 0.215 4.555 4.340 -0.000 0.000 0.226 171 R C 0.993 177.315 176.300 0.036 0.000 1.100 171 R CA 1.745 57.783 56.100 -0.104 0.000 0.980 171 R CB -0.019 30.200 30.300 -0.134 0.000 0.875 171 R HN 0.889 nan 8.270 nan 0.000 0.445 172 Y N -4.334 115.997 120.300 0.052 0.000 2.713 172 Y HA 0.607 5.157 4.550 -0.000 0.000 0.335 172 Y C -1.100 174.822 175.900 0.036 0.000 1.222 172 Y CA -1.741 56.395 58.100 0.061 0.000 1.061 172 Y CB 0.518 39.060 38.460 0.136 0.000 1.314 172 Y HN -0.167 nan 8.280 nan 0.000 0.453 173 A N 1.075 124.039 122.820 0.240 0.000 2.346 173 A HA 0.202 4.522 4.320 -0.000 0.000 0.252 173 A C 1.080 178.777 177.584 0.188 0.000 1.089 173 A CA 0.001 52.117 52.037 0.130 0.000 0.797 173 A CB 0.699 19.748 19.000 0.082 0.000 1.047 173 A HN 0.976 nan 8.150 nan 0.000 0.494 174 Q N -0.655 119.196 119.800 0.085 0.000 2.181 174 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 174 Q C -0.096 176.009 176.000 0.175 0.000 0.980 174 Q CA 1.742 57.598 55.803 0.088 0.000 0.862 174 Q CB 0.061 28.807 28.738 0.013 0.000 0.905 174 Q HN 0.774 nan 8.270 nan 0.000 0.429 175 D N -0.590 119.891 120.400 0.135 0.000 2.463 175 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 175 D C 0.931 177.268 176.300 0.060 0.000 1.174 175 D CA 0.027 54.100 54.000 0.121 0.000 0.829 175 D CB 0.562 41.407 40.800 0.076 0.000 0.993 175 D HN 0.191 nan 8.370 nan 0.000 0.497 176 Q N -0.172 119.662 119.800 0.057 0.000 2.079 176 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 176 Q C -0.324 175.387 176.000 -0.482 0.000 0.974 176 Q CA 1.369 57.042 55.803 -0.216 0.000 0.840 176 Q CB 0.146 28.736 28.738 -0.246 0.000 0.898 176 Q HN 0.236 nan 8.270 nan 0.000 0.430 177 Y N -0.598 119.768 120.300 0.110 0.000 2.509 177 Y HA 0.438 4.988 4.550 -0.000 0.000 0.341 177 Y C 0.254 176.250 175.900 0.161 0.000 1.038 177 Y CA -0.738 57.407 58.100 0.074 0.000 1.089 177 Y CB 1.722 40.183 38.460 0.002 0.000 1.241 177 Y HN -0.067 nan 8.280 nan 0.000 0.468 178 T N -1.895 112.803 114.554 0.241 0.000 2.912 178 T HA 0.202 4.552 4.350 -0.000 0.000 0.280 178 T C 0.656 175.425 174.700 0.114 0.000 0.989 178 T CA -0.554 61.665 62.100 0.198 0.000 0.995 178 T CB 0.705 69.638 68.868 0.109 0.000 1.077 178 T HN 0.593 nan 8.240 nan 0.000 0.531 179 F N 1.522 121.383 119.950 -0.149 0.000 2.126 179 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 179 F C 2.290 177.931 175.800 -0.265 0.000 1.096 179 F CA 2.053 59.688 58.000 -0.607 0.000 1.255 179 F CB -1.051 37.547 39.000 -0.670 0.000 0.997 179 F HN 0.729 nan 8.300 nan 0.000 0.479 180 G N 0.118 108.775 108.800 -0.237 0.000 2.440 180 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 180 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 180 G C 1.405 176.189 174.900 -0.193 0.000 1.154 180 G CA 1.114 46.084 45.100 -0.216 0.000 0.767 180 G HN 0.380 nan 8.290 nan 0.000 0.552 181 D N 0.700 121.032 120.400 -0.113 0.000 2.097 181 D HA -0.101 4.538 4.640 -0.000 0.000 0.195 181 D C 2.560 178.754 176.300 -0.177 0.000 0.989 181 D CA 0.646 54.601 54.000 -0.075 0.000 0.827 181 D CB -0.115 40.730 40.800 0.074 0.000 0.966 181 D HN 0.220 nan 8.370 nan 0.000 0.456 182 I N 0.318 120.736 120.570 -0.254 0.000 2.286 182 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 182 I C 2.271 178.240 176.117 -0.246 0.000 1.104 182 I CA 0.539 61.673 61.300 -0.277 0.000 1.397 182 I CB -1.135 36.714 38.000 -0.252 0.000 1.072 182 I HN -0.087 nan 8.210 nan 0.000 0.417 183 F N 1.960 121.534 119.950 -0.627 0.000 2.269 183 F HA -0.114 4.413 4.527 -0.000 0.000 0.301 183 F C 1.881 177.533 175.800 -0.247 0.000 1.082 183 F CA 0.757 58.402 58.000 -0.591 0.000 1.360 183 F CB -0.375 37.894 39.000 -1.218 0.000 1.041 183 F HN 0.136 nan 8.300 nan 0.000 0.512 187 W N 3.820 124.760 121.300 -0.601 0.000 2.381 187 W HA -0.162 4.498 4.660 -0.000 0.000 0.301 187 W C 1.624 177.969 176.519 -0.291 0.000 1.205 187 W CA 1.978 58.962 57.345 -0.602 0.000 1.285 187 W CB 0.123 28.887 29.460 -1.161 0.000 1.133 187 W HN 0.117 nan 8.180 nan 0.000 0.521 188 D N 0.957 121.163 120.400 -0.323 0.000 2.116 188 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 188 D C 1.510 177.648 176.300 -0.269 0.000 0.998 188 D CA 1.617 55.429 54.000 -0.313 0.000 0.836 188 D CB -0.917 39.772 40.800 -0.185 0.000 0.951 188 D HN 0.034 nan 8.370 nan 0.000 0.449 192 Q N 2.324 121.976 119.800 -0.246 0.000 2.297 192 Q HA 0.294 4.634 4.340 -0.000 0.000 0.267 192 Q C -1.077 174.853 176.000 -0.117 0.000 1.006 192 Q CA 1.453 57.182 55.803 -0.124 0.000 0.896 192 Q CB 0.383 29.080 28.738 -0.068 0.000 1.186 192 Q HN 0.633 nan 8.270 nan 0.000 0.392 193 D N 0.000 120.345 120.400 -0.091 0.000 6.856 193 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 193 D CA 0.000 53.951 54.000 -0.082 0.000 0.868 193 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 193 D HN 0.000 nan 8.370 nan 0.000 0.683