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 3nk5_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMFRKLAAEC FGTFWLVFGG CGSAVLAAGF PALGIGFAGV ALAWGLTVLT DATA SEQUENCE MAFAVGHISG GHFNPAVTIG LWAGGRFPAK EVVGYVIAQV VGGIVAAALL DATA SEQUENCE YLIASGKTGF DAAASGFASN GYGEHSPGGY SMLSALVVEL VLSAGFLLVI DATA SEQUENCE HGATDKFAPA GFAPIAIGLA LTLIHLISIP VTNTSVNPAR STAVAIFQGG DATA SEQUENCE WALEQLWFFW VVPIVGGIIG GLIYRTLLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.392 175.328 0.106 0.000 0.993 0 H CA 0.000 56.111 56.048 0.106 0.000 1.023 0 H CB 0.000 29.857 29.762 0.159 0.000 1.292 1 M N 4.010 123.865 119.600 0.425 0.000 2.213 1 M HA -0.079 4.411 4.480 0.016 0.000 0.263 1 M C 1.690 178.151 176.300 0.268 0.000 1.062 1 M CA 1.670 57.154 55.300 0.307 0.000 1.105 1 M CB -0.852 31.903 32.600 0.259 0.000 1.385 1 M HN 0.521 nan 8.290 nan 0.000 0.417 2 F N 0.652 120.708 119.950 0.178 0.000 2.146 2 F HA -0.100 4.437 4.527 0.017 0.000 0.298 2 F C 1.862 177.637 175.800 -0.041 0.000 1.096 2 F CA 1.610 59.595 58.000 -0.025 0.000 1.275 2 F CB -0.488 38.379 39.000 -0.222 0.000 1.008 2 F HN 0.174 nan 8.300 nan 0.000 0.480 3 R N 0.804 120.944 120.500 -0.601 0.000 2.115 3 R HA -0.045 4.305 4.340 0.016 0.000 0.230 3 R C 2.061 178.181 176.300 -0.301 0.000 1.111 3 R CA 1.455 57.206 56.100 -0.583 0.000 0.976 3 R CB -0.559 29.585 30.300 -0.260 0.000 0.870 3 R HN 0.307 nan 8.270 nan 0.000 0.445 4 K N 1.070 121.381 120.400 -0.147 0.000 2.057 4 K HA -0.050 4.280 4.320 0.016 0.000 0.206 4 K C 2.148 178.585 176.600 -0.271 0.000 1.050 4 K CA 1.081 57.290 56.287 -0.131 0.000 0.935 4 K CB -0.182 32.340 32.500 0.037 0.000 0.715 4 K HN 0.148 nan 8.250 nan 0.000 0.439 5 L N 0.777 121.868 121.223 -0.219 0.000 2.046 5 L HA -0.185 4.165 4.340 0.016 0.000 0.208 5 L C 2.676 179.389 176.870 -0.262 0.000 1.077 5 L CA 1.167 55.866 54.840 -0.234 0.000 0.747 5 L CB -0.677 41.340 42.059 -0.070 0.000 0.896 5 L HN 0.201 nan 8.230 nan 0.000 0.432 6 A N 0.094 122.719 122.820 -0.325 0.000 1.908 6 A HA -0.207 4.122 4.320 0.016 0.000 0.218 6 A C 2.531 180.007 177.584 -0.180 0.000 1.181 6 A CA 1.865 53.691 52.037 -0.352 0.000 0.627 6 A CB -0.718 18.032 19.000 -0.416 0.000 0.818 6 A HN 0.420 nan 8.150 nan 0.000 0.445 7 A N -0.588 122.166 122.820 -0.110 0.000 1.902 7 A HA -0.141 4.188 4.320 0.016 0.000 0.217 7 A C 1.949 179.579 177.584 0.077 0.000 1.181 7 A CA 1.669 53.715 52.037 0.014 0.000 0.623 7 A CB -0.397 18.575 19.000 -0.048 0.000 0.818 7 A HN 0.456 nan 8.150 nan 0.000 0.443 8 E N -0.751 119.403 120.200 -0.076 0.000 2.150 8 E HA -0.142 4.218 4.350 0.016 0.000 0.193 8 E C 2.107 178.741 176.600 0.058 0.000 0.985 8 E CA 1.006 57.402 56.400 -0.006 0.000 0.814 8 E CB -0.738 28.741 29.700 -0.368 0.000 0.752 8 E HN 0.639 nan 8.360 nan 0.000 0.466 9 C N -0.168 119.076 119.300 -0.093 0.000 2.489 9 C HA -0.069 4.400 4.460 0.016 0.000 0.279 9 C C 2.584 177.508 174.990 -0.109 0.000 1.266 9 C CA 0.298 59.229 59.018 -0.145 0.000 1.707 9 C CB -1.353 26.171 27.740 -0.360 0.000 2.059 9 C HN 0.355 nan 8.230 nan 0.000 0.481 10 F N 1.258 121.187 119.950 -0.034 0.000 2.126 10 F HA 0.003 4.539 4.527 0.015 0.000 0.299 10 F C 2.583 178.367 175.800 -0.027 0.000 1.096 10 F CA 1.370 59.322 58.000 -0.079 0.000 1.255 10 F CB -0.824 38.065 39.000 -0.184 0.000 0.997 10 F HN 0.404 nan 8.300 nan 0.000 0.479 11 G N -0.537 108.297 108.800 0.057 0.000 2.446 11 G HA2 -0.239 3.731 3.960 0.016 0.000 0.217 11 G HA3 -0.239 3.731 3.960 0.016 0.000 0.217 11 G C 1.622 176.400 174.900 -0.204 0.000 1.168 11 G CA 1.570 46.415 45.100 -0.425 0.000 0.771 11 G HN 0.291 nan 8.290 nan 0.000 0.551 12 T N 0.549 115.169 114.554 0.109 0.000 2.904 12 T HA -0.023 4.337 4.350 0.016 0.000 0.267 12 T C 1.887 176.730 174.700 0.238 0.000 1.059 12 T CA 0.791 63.014 62.100 0.205 0.000 1.137 12 T CB -0.204 68.807 68.868 0.238 0.000 0.879 12 T HN 0.258 nan 8.240 nan 0.000 0.467 13 F N 0.966 120.990 119.950 0.122 0.000 2.095 13 F HA -0.077 4.461 4.527 0.017 0.000 0.298 13 F C 2.220 178.149 175.800 0.214 0.000 1.104 13 F CA 1.117 59.213 58.000 0.159 0.000 1.232 13 F CB -0.402 38.691 39.000 0.155 0.000 0.987 13 F HN 0.247 nan 8.300 nan 0.000 0.475 14 W N 0.945 122.414 121.300 0.281 0.000 2.338 14 W HA -0.271 4.402 4.660 0.021 0.000 0.304 14 W C 2.269 178.760 176.519 -0.046 0.000 1.212 14 W CA 1.591 59.002 57.345 0.110 0.000 1.264 14 W CB -0.513 28.949 29.460 0.003 0.000 1.142 14 W HN 0.246 nan 8.180 nan 0.000 0.512 15 L N 0.311 121.597 121.223 0.105 0.000 2.017 15 L HA -0.238 4.112 4.340 0.016 0.000 0.208 15 L C 2.235 178.992 176.870 -0.189 0.000 1.073 15 L CA 1.670 56.511 54.840 0.002 0.000 0.745 15 L CB -0.863 41.331 42.059 0.225 0.000 0.894 15 L HN -0.223 nan 8.230 nan 0.000 0.432 16 V N -0.787 119.087 119.914 -0.066 0.000 2.379 16 V HA -0.263 3.867 4.120 0.016 0.000 0.245 16 V C 2.172 178.059 176.094 -0.345 0.000 1.044 16 V CA 1.868 64.094 62.300 -0.122 0.000 1.036 16 V CB -0.608 31.215 31.823 0.000 0.000 0.664 16 V HN 0.487 nan 8.190 nan 0.000 0.453 17 F N 1.692 121.310 119.950 -0.553 0.000 2.134 17 F HA -0.077 4.460 4.527 0.017 0.000 0.299 17 F C 2.130 177.551 175.800 -0.631 0.000 1.097 17 F CA 1.865 59.490 58.000 -0.625 0.000 1.264 17 F CB -0.510 38.015 39.000 -0.791 0.000 1.001 17 F HN 0.155 nan 8.300 nan 0.000 0.479 18 G N -0.856 107.588 108.800 -0.594 0.000 2.395 18 G HA2 -0.052 3.917 3.960 0.016 0.000 0.214 18 G HA3 -0.052 3.917 3.960 0.016 0.000 0.214 18 G C 1.870 176.213 174.900 -0.930 0.000 1.177 18 G CA 0.529 45.178 45.100 -0.752 0.000 0.794 18 G HN 0.563 nan 8.290 nan 0.000 0.532 19 G N 0.396 108.368 108.800 -1.380 0.000 2.453 19 G HA2 -0.249 3.720 3.960 0.016 0.000 0.215 19 G HA3 -0.249 3.720 3.960 0.016 0.000 0.215 19 G C 1.867 176.048 174.900 -1.197 0.000 1.201 19 G CA 1.497 45.193 45.100 -2.341 0.000 0.784 19 G HN 0.443 nan 8.290 nan 0.000 0.545 20 C N 0.927 119.786 119.300 -0.735 0.000 2.440 20 C HA 0.149 4.618 4.460 0.016 0.000 0.278 20 C C 3.230 177.911 174.990 -0.515 0.000 1.295 20 C CA 0.374 59.148 59.018 -0.406 0.000 1.738 20 C CB -1.175 26.359 27.740 -0.343 0.000 1.987 20 C HN 0.519 nan 8.230 nan 0.000 0.492 21 G N 1.469 109.874 108.800 -0.658 0.000 2.459 21 G HA2 -0.282 3.688 3.960 0.016 0.000 0.217 21 G HA3 -0.282 3.688 3.960 0.016 0.000 0.217 21 G C 1.804 176.412 174.900 -0.486 0.000 1.183 21 G CA 1.673 46.360 45.100 -0.689 0.000 0.776 21 G HN 0.650 nan 8.290 nan 0.000 0.552 22 S N 1.171 116.584 115.700 -0.478 0.000 2.399 22 S HA 0.140 4.620 4.470 0.016 0.000 0.231 22 S C 2.564 177.038 174.600 -0.211 0.000 1.022 22 S CA 1.574 59.575 58.200 -0.331 0.000 0.983 22 S CB -0.413 62.581 63.200 -0.344 0.000 0.803 22 S HN 0.642 nan 8.310 nan 0.000 0.480 23 A N 1.445 124.142 122.820 -0.204 0.000 1.873 23 A HA 0.122 4.452 4.320 0.016 0.000 0.215 23 A C 2.436 179.986 177.584 -0.056 0.000 1.186 23 A CA 1.588 53.586 52.037 -0.065 0.000 0.616 23 A CB -1.046 17.947 19.000 -0.012 0.000 0.823 23 A HN 0.459 nan 8.150 nan 0.000 0.442 24 V N -0.038 119.793 119.914 -0.138 0.000 2.453 24 V HA -0.162 3.968 4.120 0.016 0.000 0.247 24 V C 2.428 178.488 176.094 -0.057 0.000 1.048 24 V CA 1.777 64.029 62.300 -0.079 0.000 1.049 24 V CB -0.617 31.103 31.823 -0.173 0.000 0.672 24 V HN 0.531 nan 8.190 nan 0.000 0.457 25 L N -0.597 120.550 121.223 -0.126 0.000 2.249 25 L HA 0.191 4.541 4.340 0.016 0.000 0.207 25 L C 2.152 179.023 176.870 0.002 0.000 1.090 25 L CA 1.217 56.006 54.840 -0.084 0.000 0.802 25 L CB -0.357 41.605 42.059 -0.160 0.000 0.947 25 L HN 0.330 nan 8.230 nan 0.000 0.453 26 A N -1.057 121.750 122.820 -0.022 0.000 2.242 26 A HA 0.455 4.784 4.320 0.016 0.000 0.205 26 A C 2.208 179.820 177.584 0.047 0.000 1.353 26 A CA 0.614 52.656 52.037 0.007 0.000 1.005 26 A CB -0.124 18.822 19.000 -0.090 0.000 1.127 26 A HN 0.145 nan 8.150 nan 0.000 0.498 27 A N 0.273 123.117 122.820 0.040 0.000 1.865 27 A HA 0.106 4.436 4.320 0.016 0.000 0.217 27 A C 2.048 179.664 177.584 0.053 0.000 1.191 27 A CA 2.007 54.079 52.037 0.058 0.000 0.623 27 A CB -1.146 17.924 19.000 0.116 0.000 0.826 27 A HN 0.971 nan 8.150 nan 0.000 0.444 28 G N -2.209 106.630 108.800 0.066 0.000 3.284 28 G HA2 0.332 4.302 3.960 0.016 0.000 0.236 28 G HA3 0.332 4.302 3.960 0.016 0.000 0.236 28 G C 0.140 175.079 174.900 0.065 0.000 1.158 28 G CA -0.454 44.670 45.100 0.041 0.000 0.774 28 G HN 0.299 nan 8.290 nan 0.000 0.545 29 F N 2.847 122.781 119.950 -0.026 0.000 2.608 29 F HA 0.241 4.776 4.527 0.014 0.000 0.380 29 F C -1.522 174.263 175.800 -0.025 0.000 1.083 29 F CA -2.222 55.763 58.000 -0.025 0.000 1.266 29 F CB 0.736 39.717 39.000 -0.032 0.000 1.076 29 F HN -0.027 nan 8.300 nan 0.000 0.574 30 P HA 0.182 nan 4.420 nan 0.000 0.271 30 P C 0.114 177.473 177.300 0.098 0.000 1.226 30 P CA 1.177 64.228 63.100 -0.080 0.000 0.765 30 P CB 1.140 32.719 31.700 -0.201 0.000 0.835 31 A N 3.617 126.480 122.820 0.073 0.000 3.261 31 A HA -0.258 4.072 4.320 0.016 0.000 0.240 31 A C 1.089 178.730 177.584 0.096 0.000 0.644 31 A CA 1.780 53.861 52.037 0.074 0.000 1.228 31 A CB -2.481 16.558 19.000 0.065 0.000 1.281 31 A HN 0.487 nan 8.150 nan 0.000 0.685 32 L N -0.220 121.107 121.223 0.174 0.000 2.817 32 L HA 0.423 4.773 4.340 0.016 0.000 0.248 32 L C 1.537 178.441 176.870 0.056 0.000 1.133 32 L CA 0.127 55.021 54.840 0.089 0.000 0.935 32 L CB 0.387 42.468 42.059 0.037 0.000 1.266 32 L HN 0.637 nan 8.230 nan 0.000 0.535 33 G N 0.903 109.789 108.800 0.143 0.000 2.690 33 G HA2 0.116 4.086 3.960 0.016 0.000 0.239 33 G HA3 0.116 4.086 3.960 0.016 0.000 0.239 33 G C 0.949 175.866 174.900 0.028 0.000 1.233 33 G CA -0.098 45.066 45.100 0.107 0.000 0.847 33 G HN 0.364 nan 8.290 nan 0.000 0.588 34 I N -1.277 119.300 120.570 0.011 0.000 3.783 34 I HA 0.446 4.625 4.170 0.016 0.000 0.310 34 I C 1.153 177.278 176.117 0.013 0.000 1.274 34 I CA 0.384 61.681 61.300 -0.004 0.000 1.294 34 I CB -0.483 37.501 38.000 -0.027 0.000 1.051 34 I HN 0.983 nan 8.210 nan 0.000 0.435 35 G N 1.429 110.235 108.800 0.009 0.000 2.796 35 G HA2 -0.296 3.674 3.960 0.016 0.000 0.226 35 G HA3 -0.296 3.674 3.960 0.016 0.000 0.226 35 G C 0.115 175.100 174.900 0.142 0.000 1.381 35 G CA 0.163 45.252 45.100 -0.020 0.000 0.867 35 G HN 0.354 nan 8.290 nan 0.000 0.552 36 F N 0.678 120.652 119.950 0.039 0.000 2.171 36 F HA -0.073 4.458 4.527 0.008 0.000 0.300 36 F C 3.148 178.980 175.800 0.053 0.000 1.090 36 F CA 1.385 59.418 58.000 0.055 0.000 1.293 36 F CB -0.324 38.711 39.000 0.058 0.000 1.013 36 F HN 0.623 nan 8.300 nan 0.000 0.486 37 A N 0.528 123.480 122.820 0.221 0.000 1.902 37 A HA -0.090 4.239 4.320 0.016 0.000 0.217 37 A C 2.432 180.074 177.584 0.096 0.000 1.181 37 A CA 1.769 53.888 52.037 0.136 0.000 0.623 37 A CB -1.433 17.621 19.000 0.090 0.000 0.818 37 A HN 0.393 nan 8.150 nan 0.000 0.443 38 G N -0.766 108.079 108.800 0.074 0.000 2.403 38 G HA2 -0.018 3.952 3.960 0.016 0.000 0.216 38 G HA3 -0.018 3.952 3.960 0.016 0.000 0.216 38 G C 1.478 176.380 174.900 0.003 0.000 1.154 38 G CA 1.043 46.157 45.100 0.023 0.000 0.784 38 G HN 0.287 nan 8.290 nan 0.000 0.538 39 V N 1.678 121.622 119.914 0.050 0.000 2.332 39 V HA -0.178 3.951 4.120 0.016 0.000 0.248 39 V C 3.329 179.454 176.094 0.053 0.000 1.055 39 V CA 2.093 64.407 62.300 0.023 0.000 1.038 39 V CB -0.853 31.053 31.823 0.138 0.000 0.651 39 V HN 0.464 nan 8.190 nan 0.000 0.450 40 A N -0.305 122.587 122.820 0.120 0.000 1.902 40 A HA -0.198 4.132 4.320 0.016 0.000 0.217 40 A C 2.165 179.784 177.584 0.058 0.000 1.181 40 A CA 2.073 54.180 52.037 0.117 0.000 0.623 40 A CB -0.606 18.491 19.000 0.161 0.000 0.818 40 A HN 0.436 nan 8.150 nan 0.000 0.443 41 L N -0.044 121.203 121.223 0.039 0.000 1.989 41 L HA -0.144 4.206 4.340 0.016 0.000 0.211 41 L C 2.757 179.606 176.870 -0.034 0.000 1.071 41 L CA 2.384 57.235 54.840 0.018 0.000 0.749 41 L CB -1.020 41.046 42.059 0.012 0.000 0.890 41 L HN 0.381 nan 8.230 nan 0.000 0.431 42 A N -1.162 121.586 122.820 -0.120 0.000 1.903 42 A HA -0.309 4.020 4.320 0.016 0.000 0.219 42 A C 2.122 179.529 177.584 -0.294 0.000 1.191 42 A CA 2.272 54.156 52.037 -0.256 0.000 0.638 42 A CB -1.563 17.203 19.000 -0.390 0.000 0.823 42 A HN 0.683 nan 8.150 nan 0.000 0.451 43 W N -0.627 120.503 121.300 -0.283 0.000 2.315 43 W HA -0.129 4.535 4.660 0.006 0.000 0.323 43 W C 2.623 179.048 176.519 -0.156 0.000 1.233 43 W CA 1.503 58.643 57.345 -0.341 0.000 1.267 43 W CB -0.673 28.295 29.460 -0.820 0.000 1.160 43 W HN 0.398 nan 8.180 nan 0.000 0.474 44 G N -0.352 108.536 108.800 0.146 0.000 2.443 44 G HA2 -0.181 3.788 3.960 0.016 0.000 0.219 44 G HA3 -0.181 3.788 3.960 0.016 0.000 0.219 44 G C 1.391 176.380 174.900 0.148 0.000 1.131 44 G CA 0.782 45.980 45.100 0.163 0.000 0.775 44 G HN 0.188 nan 8.290 nan 0.000 0.547 45 L N 1.252 122.527 121.223 0.087 0.000 2.156 45 L HA -0.051 4.299 4.340 0.016 0.000 0.208 45 L C 3.345 180.297 176.870 0.136 0.000 1.095 45 L CA 1.580 56.482 54.840 0.102 0.000 0.770 45 L CB -0.969 41.118 42.059 0.048 0.000 0.914 45 L HN 0.415 nan 8.230 nan 0.000 0.439 46 T N -2.587 111.992 114.554 0.041 0.000 2.720 46 T HA -0.163 4.196 4.350 0.016 0.000 0.268 46 T C 1.787 176.648 174.700 0.268 0.000 1.037 46 T CA 1.502 63.659 62.100 0.095 0.000 1.144 46 T CB -0.747 68.049 68.868 -0.119 0.000 0.864 46 T HN 0.096 nan 8.240 nan 0.000 0.444 47 V N 1.468 121.538 119.914 0.259 0.000 2.407 47 V HA 0.072 4.201 4.120 0.016 0.000 0.245 47 V C 2.617 178.877 176.094 0.276 0.000 1.041 47 V CA 1.394 63.894 62.300 0.334 0.000 1.040 47 V CB -0.746 31.318 31.823 0.401 0.000 0.671 47 V HN 0.477 nan 8.190 nan 0.000 0.455 48 L N 0.617 121.973 121.223 0.223 0.000 2.012 48 L HA -0.231 4.119 4.340 0.016 0.000 0.210 48 L C 2.749 179.771 176.870 0.255 0.000 1.073 48 L CA 2.651 57.597 54.840 0.177 0.000 0.748 48 L CB -0.549 41.638 42.059 0.214 0.000 0.891 48 L HN 0.626 nan 8.230 nan 0.000 0.431 49 T N -3.217 111.516 114.554 0.299 0.000 2.770 49 T HA -0.169 4.191 4.350 0.016 0.000 0.263 49 T C 1.879 176.698 174.700 0.198 0.000 1.039 49 T CA 1.160 63.441 62.100 0.303 0.000 1.142 49 T CB -0.310 68.761 68.868 0.337 0.000 0.868 49 T HN 0.183 nan 8.240 nan 0.000 0.435 50 M N 1.347 121.031 119.600 0.140 0.000 2.319 50 M HA 0.308 4.798 4.480 0.016 0.000 0.265 50 M C 2.781 179.228 176.300 0.246 0.000 1.068 50 M CA 1.158 56.454 55.300 -0.006 0.000 1.118 50 M CB -1.336 31.027 32.600 -0.395 0.000 1.395 50 M HN 0.531 nan 8.290 nan 0.000 0.435 51 A N -0.589 122.430 122.820 0.333 0.000 1.969 51 A HA -0.125 4.205 4.320 0.016 0.000 0.218 51 A C 1.845 179.484 177.584 0.091 0.000 1.169 51 A CA 1.188 53.371 52.037 0.244 0.000 0.635 51 A CB -0.735 18.318 19.000 0.088 0.000 0.810 51 A HN 0.338 nan 8.150 nan 0.000 0.445 52 F N -0.090 119.946 119.950 0.143 0.000 2.206 52 F HA 0.067 4.601 4.527 0.013 0.000 0.298 52 F C 2.680 178.549 175.800 0.115 0.000 1.090 52 F CA 0.571 58.636 58.000 0.108 0.000 1.323 52 F CB -0.484 38.558 39.000 0.071 0.000 1.028 52 F HN 0.255 nan 8.300 nan 0.000 0.492 53 A N -0.361 122.607 122.820 0.247 0.000 1.897 53 A HA -0.018 4.312 4.320 0.016 0.000 0.215 53 A C 1.800 179.408 177.584 0.040 0.000 1.181 53 A CA 2.129 54.238 52.037 0.119 0.000 0.620 53 A CB -0.798 18.183 19.000 -0.033 0.000 0.821 53 A HN 0.262 nan 8.150 nan 0.000 0.443 54 V N -4.266 115.634 119.914 -0.023 0.000 3.337 54 V HA 0.424 4.554 4.120 0.016 0.000 0.307 54 V C 1.683 177.660 176.094 -0.195 0.000 1.505 54 V CA 0.597 62.771 62.300 -0.209 0.000 1.072 54 V CB -0.447 31.347 31.823 -0.048 0.000 0.929 54 V HN 0.330 nan 8.190 nan 0.000 0.455 55 G N 2.182 110.952 108.800 -0.049 0.000 2.442 55 G HA2 -0.305 3.665 3.960 0.016 0.000 0.219 55 G HA3 -0.305 3.665 3.960 0.016 0.000 0.219 55 G C 1.215 176.081 174.900 -0.058 0.000 1.141 55 G CA 1.792 46.867 45.100 -0.041 0.000 0.763 55 G HN 0.970 nan 8.290 nan 0.000 0.554 56 H N -0.597 118.502 119.070 0.049 0.000 2.546 56 H HA 0.283 4.848 4.556 0.015 0.000 0.277 56 H C 2.062 177.414 175.328 0.039 0.000 1.004 56 H CA 0.747 56.819 56.048 0.040 0.000 1.231 56 H CB -0.207 29.579 29.762 0.041 0.000 1.382 56 H HN 0.439 nan 8.280 nan 0.000 0.580 57 I N 0.222 120.623 120.570 -0.282 0.000 2.499 57 I HA -0.080 4.100 4.170 0.016 0.000 0.243 57 I C 2.019 178.113 176.117 -0.040 0.000 1.085 57 I CA 1.066 62.294 61.300 -0.120 0.000 1.422 57 I CB -0.080 37.807 38.000 -0.188 0.000 1.165 57 I HN 0.435 nan 8.210 nan 0.000 0.440 58 S N -0.429 115.224 115.700 -0.078 0.000 2.502 58 S HA 0.348 4.828 4.470 0.016 0.000 0.215 58 S C 1.569 176.166 174.600 -0.005 0.000 1.009 58 S CA 0.407 58.583 58.200 -0.040 0.000 0.908 58 S CB 1.033 64.090 63.200 -0.238 0.000 0.801 58 S HN 0.602 nan 8.310 nan 0.000 0.505 59 G N 1.128 109.903 108.800 -0.042 0.000 2.232 59 G HA2 0.064 4.034 3.960 0.016 0.000 0.226 59 G HA3 0.064 4.034 3.960 0.016 0.000 0.226 59 G C 0.922 175.755 174.900 -0.111 0.000 0.996 59 G CA 0.003 45.099 45.100 -0.007 0.000 0.626 59 G HN 1.814 nan 8.290 nan 0.000 0.509 60 G N -0.233 108.356 108.800 -0.351 0.000 2.374 60 G HA2 -0.238 3.732 3.960 0.016 0.000 0.289 60 G HA3 -0.238 3.732 3.960 0.016 0.000 0.289 60 G C 0.558 174.780 174.900 -1.130 0.000 1.004 60 G CA 1.390 45.912 45.100 -0.963 0.000 1.292 60 G HN 1.031 nan 8.290 nan 0.000 0.502 61 H N -0.114 118.350 119.070 -1.011 0.000 2.320 61 H HA 0.156 4.722 4.556 0.015 0.000 0.309 61 H C 1.745 176.863 175.328 -0.349 0.000 1.057 61 H CA 0.345 56.067 56.048 -0.543 0.000 1.374 61 H CB 0.162 29.771 29.762 -0.256 0.000 1.421 61 H HN 0.715 nan 8.280 nan 0.000 0.532 62 F N 0.263 120.317 119.950 0.173 0.000 3.034 62 F HA -0.248 4.289 4.527 0.016 0.000 0.286 62 F C 0.021 175.910 175.800 0.149 0.000 0.804 62 F CA 0.237 58.321 58.000 0.140 0.000 1.161 62 F CB -1.532 37.569 39.000 0.168 0.000 1.317 62 F HN 0.297 nan 8.300 nan 0.000 0.453 63 N N -0.738 118.105 118.700 0.239 0.000 2.839 63 N HA 0.229 4.979 4.740 0.016 0.000 0.258 63 N C -2.301 173.267 175.510 0.097 0.000 1.150 63 N CA -1.618 51.526 53.050 0.157 0.000 0.957 63 N CB 1.678 40.282 38.487 0.194 0.000 1.560 63 N HN -0.383 nan 8.380 nan 0.000 0.588 64 P HA -0.041 nan 4.420 nan 0.000 0.219 64 P C 0.925 178.247 177.300 0.037 0.000 1.146 64 P CA 1.348 64.482 63.100 0.056 0.000 0.808 64 P CB 0.334 32.023 31.700 -0.018 0.000 0.779 65 A N -0.997 121.821 122.820 -0.002 0.000 2.014 65 A HA -0.088 4.242 4.320 0.016 0.000 0.218 65 A C 2.203 179.798 177.584 0.018 0.000 1.163 65 A CA 1.292 53.342 52.037 0.021 0.000 0.652 65 A CB -1.412 17.595 19.000 0.012 0.000 0.808 65 A HN 0.035 nan 8.150 nan 0.000 0.449 66 V N -0.634 119.270 119.914 -0.016 0.000 2.346 66 V HA -0.175 3.955 4.120 0.016 0.000 0.244 66 V C 2.711 178.630 176.094 -0.292 0.000 1.037 66 V CA 2.362 64.559 62.300 -0.171 0.000 1.029 66 V CB -1.248 30.434 31.823 -0.234 0.000 0.663 66 V HN 0.552 nan 8.190 nan 0.000 0.454 67 T N 0.718 115.158 114.554 -0.192 0.000 2.652 67 T HA -0.183 4.176 4.350 0.016 0.000 0.267 67 T C 1.815 176.502 174.700 -0.022 0.000 1.039 67 T CA 2.087 64.082 62.100 -0.175 0.000 1.153 67 T CB -0.334 68.595 68.868 0.101 0.000 0.863 67 T HN 0.341 nan 8.240 nan 0.000 0.428 68 I N 0.949 121.572 120.570 0.089 0.000 2.394 68 I HA -0.034 4.146 4.170 0.016 0.000 0.251 68 I C 2.831 179.131 176.117 0.306 0.000 1.136 68 I CA 1.083 62.518 61.300 0.226 0.000 1.425 68 I CB -0.552 37.546 38.000 0.164 0.000 1.079 68 I HN 0.305 nan 8.210 nan 0.000 0.425 69 G N 0.860 109.752 108.800 0.154 0.000 2.403 69 G HA2 -0.115 3.855 3.960 0.016 0.000 0.216 69 G HA3 -0.115 3.855 3.960 0.016 0.000 0.216 69 G C 1.709 176.730 174.900 0.202 0.000 1.154 69 G CA 0.260 45.450 45.100 0.150 0.000 0.784 69 G HN 0.239 nan 8.290 nan 0.000 0.538 70 L N -1.073 120.193 121.223 0.072 0.000 2.093 70 L HA -0.001 4.348 4.340 0.016 0.000 0.208 70 L C 2.568 179.548 176.870 0.184 0.000 1.085 70 L CA 1.078 55.913 54.840 -0.008 0.000 0.755 70 L CB -0.362 41.507 42.059 -0.316 0.000 0.904 70 L HN 0.466 nan 8.230 nan 0.000 0.435 71 W N 1.176 122.540 121.300 0.107 0.000 2.315 71 W HA -0.319 4.350 4.660 0.015 0.000 0.323 71 W C 2.520 179.107 176.519 0.113 0.000 1.233 71 W CA 2.106 59.541 57.345 0.151 0.000 1.267 71 W CB -0.398 29.152 29.460 0.150 0.000 1.160 71 W HN 0.094 nan 8.180 nan 0.000 0.474 72 A N 0.539 123.277 122.820 -0.137 0.000 1.972 72 A HA -0.009 4.320 4.320 0.016 0.000 0.219 72 A C 2.151 179.568 177.584 -0.278 0.000 1.169 72 A CA 1.746 53.487 52.037 -0.493 0.000 0.635 72 A CB -1.639 17.294 19.000 -0.112 0.000 0.810 72 A HN 0.510 nan 8.150 nan 0.000 0.446 73 G N -1.746 107.042 108.800 -0.021 0.000 2.776 73 G HA2 0.322 4.291 3.960 0.016 0.000 0.209 73 G HA3 0.322 4.291 3.960 0.016 0.000 0.209 73 G C 1.182 176.127 174.900 0.075 0.000 1.145 73 G CA 0.549 45.721 45.100 0.120 0.000 0.791 73 G HN 1.651 nan 8.290 nan 0.000 0.530 74 G N -0.148 108.616 108.800 -0.061 0.000 2.143 74 G HA2 -0.255 3.715 3.960 0.016 0.000 0.248 74 G HA3 -0.255 3.715 3.960 0.016 0.000 0.248 74 G C 1.191 176.100 174.900 0.015 0.000 0.991 74 G CA 0.371 45.434 45.100 -0.061 0.000 0.689 74 G HN 0.453 nan 8.290 nan 0.000 0.522 75 R N -1.339 119.193 120.500 0.053 0.000 2.334 75 R HA 0.406 4.755 4.340 0.016 0.000 0.212 75 R C 0.128 176.528 176.300 0.166 0.000 0.897 75 R CA 0.147 56.278 56.100 0.051 0.000 1.056 75 R CB 0.404 30.657 30.300 -0.079 0.000 1.046 75 R HN 0.529 nan 8.270 nan 0.000 0.513 76 F N 1.970 121.924 119.950 0.007 0.000 2.596 76 F HA 0.415 4.953 4.527 0.018 0.000 0.311 76 F C -2.503 173.372 175.800 0.124 0.000 1.116 76 F CA -2.361 55.664 58.000 0.042 0.000 0.957 76 F CB 2.461 41.492 39.000 0.051 0.000 1.250 76 F HN -0.183 nan 8.300 nan 0.000 0.444 77 P HA 0.204 nan 4.420 nan 0.000 0.276 77 P C -0.029 177.252 177.300 -0.032 0.000 1.230 77 P CA 0.091 63.093 63.100 -0.164 0.000 0.776 77 P CB 1.514 33.036 31.700 -0.297 0.000 0.888 78 A N 5.472 128.412 122.820 0.200 0.000 1.909 78 A HA -0.287 4.043 4.320 0.016 0.000 0.221 78 A C 1.989 179.533 177.584 -0.067 0.000 1.223 78 A CA 2.808 54.854 52.037 0.014 0.000 0.658 78 A CB -1.376 17.678 19.000 0.089 0.000 0.831 78 A HN 0.720 nan 8.150 nan 0.000 0.462 79 K N -0.279 120.085 120.400 -0.060 0.000 2.281 79 K HA -0.155 4.174 4.320 0.016 0.000 0.203 79 K C 1.164 177.727 176.600 -0.062 0.000 1.046 79 K CA 1.779 58.031 56.287 -0.058 0.000 0.938 79 K CB -0.256 32.215 32.500 -0.048 0.000 0.737 79 K HN 0.659 nan 8.250 nan 0.000 0.458 80 E N 0.805 120.923 120.200 -0.137 0.000 2.472 80 E HA 0.010 4.369 4.350 0.016 0.000 0.196 80 E C 1.734 178.398 176.600 0.108 0.000 1.033 80 E CA -0.021 56.327 56.400 -0.086 0.000 0.886 80 E CB 0.390 29.873 29.700 -0.363 0.000 0.944 80 E HN 0.049 nan 8.360 nan 0.000 0.492 81 V N 1.129 121.121 119.914 0.130 0.000 2.220 81 V HA -0.287 3.842 4.120 0.016 0.000 0.246 81 V C 2.316 178.517 176.094 0.179 0.000 1.049 81 V CA 1.640 64.054 62.300 0.190 0.000 1.003 81 V CB -0.455 31.393 31.823 0.042 0.000 0.634 81 V HN 0.148 nan 8.190 nan 0.000 0.444 82 V N 0.773 120.751 119.914 0.108 0.000 2.317 82 V HA -0.283 3.846 4.120 0.016 0.000 0.251 82 V C 2.575 178.770 176.094 0.169 0.000 1.065 82 V CA 2.415 64.784 62.300 0.115 0.000 1.049 82 V CB -1.414 30.445 31.823 0.060 0.000 0.651 82 V HN 0.668 nan 8.190 nan 0.000 0.450 83 G N -2.224 106.695 108.800 0.198 0.000 2.422 83 G HA2 -0.261 3.709 3.960 0.016 0.000 0.218 83 G HA3 -0.261 3.709 3.960 0.016 0.000 0.218 83 G C 1.494 176.571 174.900 0.295 0.000 1.146 83 G CA 0.826 46.061 45.100 0.225 0.000 0.769 83 G HN 0.544 nan 8.290 nan 0.000 0.547 84 Y N 0.116 120.489 120.300 0.121 0.000 2.181 84 Y HA -0.149 4.410 4.550 0.016 0.000 0.288 84 Y C 3.070 179.031 175.900 0.102 0.000 1.146 84 Y CA 0.691 58.844 58.100 0.089 0.000 1.164 84 Y CB -0.001 38.499 38.460 0.067 0.000 0.982 84 Y HN 0.064 nan 8.280 nan 0.000 0.515 85 V N 0.088 120.176 119.914 0.290 0.000 2.358 85 V HA -0.303 3.827 4.120 0.016 0.000 0.246 85 V C 2.045 178.273 176.094 0.222 0.000 1.047 85 V CA 1.662 64.113 62.300 0.252 0.000 1.035 85 V CB -0.498 31.487 31.823 0.270 0.000 0.658 85 V HN 0.387 nan 8.190 nan 0.000 0.452 86 I N 0.460 121.140 120.570 0.184 0.000 2.142 86 I HA -0.253 3.926 4.170 0.016 0.000 0.240 86 I C 2.720 178.906 176.117 0.115 0.000 1.078 86 I CA 1.554 62.940 61.300 0.144 0.000 1.343 86 I CB -0.646 37.421 38.000 0.111 0.000 1.046 86 I HN 0.292 nan 8.210 nan 0.000 0.405 87 A N 0.261 123.131 122.820 0.084 0.000 1.917 87 A HA -0.309 4.021 4.320 0.016 0.000 0.219 87 A C 2.227 179.843 177.584 0.053 0.000 1.182 87 A CA 1.980 54.030 52.037 0.023 0.000 0.633 87 A CB -0.725 18.239 19.000 -0.059 0.000 0.819 87 A HN 0.504 nan 8.150 nan 0.000 0.448 88 Q N -0.766 119.093 119.800 0.098 0.000 2.046 88 Q HA -0.091 4.258 4.340 0.016 0.000 0.200 88 Q C 2.173 178.269 176.000 0.160 0.000 0.975 88 Q CA 1.628 57.514 55.803 0.139 0.000 0.836 88 Q CB -0.386 28.450 28.738 0.163 0.000 0.896 88 Q HN 0.466 nan 8.270 nan 0.000 0.428 89 V N 0.187 120.212 119.914 0.185 0.000 2.287 89 V HA -0.262 3.868 4.120 0.016 0.000 0.248 89 V C 2.210 178.409 176.094 0.175 0.000 1.053 89 V CA 1.574 64.000 62.300 0.211 0.000 1.027 89 V CB -0.518 31.466 31.823 0.267 0.000 0.646 89 V HN 0.209 nan 8.190 nan 0.000 0.447 90 V N 0.769 120.766 119.914 0.138 0.000 2.287 90 V HA -0.223 3.907 4.120 0.016 0.000 0.248 90 V C 2.667 178.843 176.094 0.136 0.000 1.053 90 V CA 2.292 64.662 62.300 0.116 0.000 1.027 90 V CB -1.527 30.337 31.823 0.068 0.000 0.646 90 V HN 0.625 nan 8.190 nan 0.000 0.447 91 G N 0.016 108.888 108.800 0.119 0.000 2.513 91 G HA2 -0.243 3.726 3.960 0.016 0.000 0.219 91 G HA3 -0.243 3.726 3.960 0.016 0.000 0.219 91 G C 1.606 176.659 174.900 0.255 0.000 1.160 91 G CA 1.153 46.360 45.100 0.178 0.000 0.767 91 G HN 0.615 nan 8.290 nan 0.000 0.571 92 G N 0.538 109.459 108.800 0.203 0.000 2.408 92 G HA2 -0.069 3.900 3.960 0.016 0.000 0.217 92 G HA3 -0.069 3.900 3.960 0.016 0.000 0.217 92 G C 1.778 176.794 174.900 0.193 0.000 1.150 92 G CA 0.644 45.851 45.100 0.179 0.000 0.776 92 G HN 0.451 nan 8.290 nan 0.000 0.542 93 I N 0.466 121.171 120.570 0.226 0.000 2.252 93 I HA -0.143 4.036 4.170 0.016 0.000 0.245 93 I C 2.733 179.023 176.117 0.288 0.000 1.102 93 I CA 0.503 61.973 61.300 0.284 0.000 1.385 93 I CB -0.150 37.993 38.000 0.238 0.000 1.064 93 I HN 0.013 nan 8.210 nan 0.000 0.414 94 V N 1.057 121.133 119.914 0.269 0.000 2.407 94 V HA -0.290 3.840 4.120 0.016 0.000 0.248 94 V C 2.658 178.946 176.094 0.324 0.000 1.055 94 V CA 1.955 64.440 62.300 0.308 0.000 1.049 94 V CB -1.008 31.008 31.823 0.320 0.000 0.662 94 V HN 0.489 nan 8.190 nan 0.000 0.455 95 A N 0.015 122.953 122.820 0.196 0.000 1.898 95 A HA -0.021 4.308 4.320 0.016 0.000 0.216 95 A C 2.427 179.997 177.584 -0.023 0.000 1.181 95 A CA 1.774 53.678 52.037 -0.221 0.000 0.620 95 A CB -0.745 17.852 19.000 -0.672 0.000 0.819 95 A HN 0.549 nan 8.150 nan 0.000 0.442 96 A N -0.187 122.643 122.820 0.017 0.000 1.972 96 A HA 0.171 4.500 4.320 0.016 0.000 0.219 96 A C 2.423 179.817 177.584 -0.317 0.000 1.169 96 A CA 2.010 54.031 52.037 -0.027 0.000 0.635 96 A CB -0.804 18.311 19.000 0.190 0.000 0.810 96 A HN 0.964 nan 8.150 nan 0.000 0.446 97 A N -0.313 122.366 122.820 -0.234 0.000 1.897 97 A HA 0.078 4.408 4.320 0.016 0.000 0.215 97 A C 2.116 179.672 177.584 -0.046 0.000 1.181 97 A CA 1.243 53.096 52.037 -0.306 0.000 0.620 97 A CB -0.505 18.592 19.000 0.162 0.000 0.821 97 A HN 0.440 nan 8.150 nan 0.000 0.443 98 L N -0.926 120.358 121.223 0.103 0.000 2.093 98 L HA -0.143 4.207 4.340 0.016 0.000 0.208 98 L C 2.538 179.509 176.870 0.168 0.000 1.085 98 L CA 0.914 55.869 54.840 0.191 0.000 0.755 98 L CB -0.504 41.744 42.059 0.316 0.000 0.904 98 L HN 0.428 nan 8.230 nan 0.000 0.435 99 L N -0.742 120.539 121.223 0.097 0.000 2.056 99 L HA -0.256 4.094 4.340 0.016 0.000 0.207 99 L C 2.454 179.324 176.870 0.001 0.000 1.078 99 L CA 1.752 56.552 54.840 -0.066 0.000 0.749 99 L CB -0.754 41.183 42.059 -0.202 0.000 0.901 99 L HN 0.172 nan 8.230 nan 0.000 0.433 100 Y N -0.850 119.384 120.300 -0.110 0.000 2.224 100 Y HA -0.242 4.318 4.550 0.016 0.000 0.289 100 Y C 2.309 178.068 175.900 -0.234 0.000 1.146 100 Y CA 1.899 59.831 58.100 -0.279 0.000 1.182 100 Y CB -0.196 37.914 38.460 -0.583 0.000 0.983 100 Y HN 0.282 nan 8.280 nan 0.000 0.524 101 L N 0.342 121.591 121.223 0.043 0.000 2.046 101 L HA -0.165 4.184 4.340 0.016 0.000 0.208 101 L C 2.118 178.924 176.870 -0.106 0.000 1.077 101 L CA 1.802 56.650 54.840 0.013 0.000 0.747 101 L CB -0.793 41.317 42.059 0.085 0.000 0.896 101 L HN 0.335 nan 8.230 nan 0.000 0.432 102 I N -0.294 120.214 120.570 -0.103 0.000 2.226 102 I HA -0.272 3.908 4.170 0.016 0.000 0.245 102 I C 2.571 178.528 176.117 -0.266 0.000 1.100 102 I CA 1.247 62.470 61.300 -0.128 0.000 1.374 102 I CB -0.629 37.320 38.000 -0.085 0.000 1.057 102 I HN 0.354 nan 8.210 nan 0.000 0.413 103 A N -0.308 122.229 122.820 -0.473 0.000 1.969 103 A HA -0.162 4.167 4.320 0.016 0.000 0.218 103 A C 2.413 179.472 177.584 -0.876 0.000 1.169 103 A CA 1.846 53.399 52.037 -0.807 0.000 0.635 103 A CB -0.619 17.587 19.000 -1.323 0.000 0.810 103 A HN 0.366 nan 8.150 nan 0.000 0.445 104 S N -0.412 114.854 115.700 -0.723 0.000 2.474 104 S HA -0.010 4.470 4.470 0.016 0.000 0.235 104 S C 1.701 176.234 174.600 -0.112 0.000 0.997 104 S CA 0.735 58.778 58.200 -0.261 0.000 0.949 104 S CB -0.272 62.804 63.200 -0.207 0.000 0.766 104 S HN 0.752 nan 8.310 nan 0.000 0.517 105 G N 0.895 109.611 108.800 -0.139 0.000 3.061 105 G HA2 0.054 4.023 3.960 0.016 0.000 0.208 105 G HA3 0.054 4.023 3.960 0.016 0.000 0.208 105 G C 0.189 175.064 174.900 -0.042 0.000 1.175 105 G CA -0.089 44.972 45.100 -0.064 0.000 0.812 105 G HN 0.324 nan 8.290 nan 0.000 0.523 106 K N 0.863 121.240 120.400 -0.039 0.000 2.376 106 K HA 0.355 4.685 4.320 0.016 0.000 0.257 106 K C -0.458 176.164 176.600 0.036 0.000 0.939 106 K CA -0.558 55.728 56.287 -0.002 0.000 0.809 106 K CB 1.199 33.694 32.500 -0.007 0.000 1.121 106 K HN -0.032 nan 8.250 nan 0.000 0.425 107 T N 2.036 116.606 114.554 0.025 0.000 2.908 107 T HA 0.159 4.519 4.350 0.016 0.000 0.301 107 T C 1.064 175.788 174.700 0.041 0.000 1.019 107 T CA 1.353 63.470 62.100 0.028 0.000 1.152 107 T CB 0.553 69.428 68.868 0.012 0.000 0.966 107 T HN 0.930 nan 8.240 nan 0.000 0.540 108 G N 2.720 111.546 108.800 0.044 0.000 2.175 108 G HA2 -0.236 3.733 3.960 0.016 0.000 0.244 108 G HA3 -0.236 3.733 3.960 0.016 0.000 0.244 108 G C 0.062 174.991 174.900 0.047 0.000 0.982 108 G CA -0.241 44.877 45.100 0.029 0.000 0.641 108 G HN 0.790 nan 8.290 nan 0.000 0.527 109 F N 1.828 121.746 119.950 -0.053 0.000 2.529 109 F HA 0.520 5.055 4.527 0.015 0.000 0.365 109 F C 0.013 175.769 175.800 -0.073 0.000 1.102 109 F CA 0.385 58.344 58.000 -0.068 0.000 1.271 109 F CB 0.921 39.851 39.000 -0.117 0.000 1.120 109 F HN 0.031 nan 8.300 nan 0.000 0.579 110 D N 4.929 124.670 120.400 -1.098 0.000 2.319 110 D HA 0.272 4.922 4.640 0.016 0.000 0.237 110 D C 0.370 176.151 176.300 -0.866 0.000 1.353 110 D CA 0.071 53.572 54.000 -0.833 0.000 0.992 110 D CB 1.443 42.049 40.800 -0.324 0.000 1.368 110 D HN 0.683 nan 8.370 nan 0.000 0.564 111 A N 3.015 125.221 122.820 -1.024 0.000 1.908 111 A HA -0.009 4.321 4.320 0.016 0.000 0.218 111 A C 2.074 179.602 177.584 -0.094 0.000 1.181 111 A CA 2.131 53.942 52.037 -0.378 0.000 0.627 111 A CB -0.334 18.571 19.000 -0.158 0.000 0.818 111 A HN 0.585 nan 8.150 nan 0.000 0.445 112 A N -0.310 122.442 122.820 -0.113 0.000 1.855 112 A HA 0.224 4.554 4.320 0.016 0.000 0.215 112 A C 2.532 180.136 177.584 0.033 0.000 1.191 112 A CA 2.059 54.068 52.037 -0.046 0.000 0.613 112 A CB -1.082 17.893 19.000 -0.041 0.000 0.829 112 A HN 1.057 nan 8.150 nan 0.000 0.442 113 A N 0.170 122.995 122.820 0.009 0.000 1.930 113 A HA -0.043 4.287 4.320 0.016 0.000 0.217 113 A C 2.466 180.116 177.584 0.110 0.000 1.175 113 A CA 2.213 54.290 52.037 0.067 0.000 0.627 113 A CB -0.869 18.139 19.000 0.014 0.000 0.815 113 A HN 0.968 nan 8.150 nan 0.000 0.443 114 S N -2.057 113.686 115.700 0.072 0.000 2.453 114 S HA 0.313 4.793 4.470 0.016 0.000 0.231 114 S C 1.618 176.358 174.600 0.233 0.000 1.005 114 S CA 1.298 59.584 58.200 0.143 0.000 0.949 114 S CB -0.278 63.011 63.200 0.148 0.000 0.774 114 S HN 1.901 nan 8.310 nan 0.000 0.510 115 G N 0.551 109.500 108.800 0.249 0.000 2.194 115 G HA2 -0.301 3.669 3.960 0.016 0.000 0.236 115 G HA3 -0.301 3.669 3.960 0.016 0.000 0.236 115 G C 0.326 175.372 174.900 0.244 0.000 0.987 115 G CA -0.201 45.072 45.100 0.289 0.000 0.635 115 G HN 1.017 nan 8.290 nan 0.000 0.520 116 F N -0.282 119.731 119.950 0.105 0.000 2.970 116 F HA -0.094 4.445 4.527 0.020 0.000 0.251 116 F C 1.665 177.523 175.800 0.096 0.000 0.993 116 F CA 1.770 59.852 58.000 0.136 0.000 0.869 116 F CB -0.951 38.153 39.000 0.173 0.000 0.762 116 F HN 2.157 nan 8.300 nan 0.000 0.817 117 A N 0.053 122.890 122.820 0.028 0.000 2.816 117 A HA -0.268 4.062 4.320 0.016 0.000 0.270 117 A C 0.921 178.506 177.584 0.001 0.000 1.413 117 A CA 1.209 53.236 52.037 -0.016 0.000 0.866 117 A CB -2.015 16.899 19.000 -0.143 0.000 1.032 117 A HN 0.780 nan 8.150 nan 0.000 0.642 118 S N -0.005 115.717 115.700 0.037 0.000 2.585 118 S HA 0.364 4.844 4.470 0.016 0.000 0.273 118 S C 0.451 175.073 174.600 0.036 0.000 1.339 118 S CA -0.085 58.099 58.200 -0.028 0.000 1.028 118 S CB 0.446 63.505 63.200 -0.236 0.000 0.906 118 S HN 0.649 nan 8.310 nan 0.000 0.528 119 N N 0.333 118.926 118.700 -0.178 0.000 2.499 119 N HA 0.598 5.348 4.740 0.016 0.000 0.281 119 N C 0.072 175.555 175.510 -0.045 0.000 1.098 119 N CA -0.247 52.554 53.050 -0.414 0.000 0.979 119 N CB 1.077 38.810 38.487 -1.257 0.000 1.121 119 N HN 0.689 nan 8.380 nan 0.000 0.466 120 G N 0.328 109.251 108.800 0.205 0.000 2.692 120 G HA2 0.525 4.495 3.960 0.016 0.000 0.291 120 G HA3 0.525 4.495 3.960 0.016 0.000 0.291 120 G C -1.843 173.216 174.900 0.265 0.000 1.423 120 G CA -0.655 44.661 45.100 0.361 0.000 0.843 120 G HN 0.535 nan 8.290 nan 0.000 0.486 121 Y N -1.288 119.052 120.300 0.067 0.000 2.659 121 Y HA 0.835 5.394 4.550 0.015 0.000 0.333 121 Y C 1.097 176.928 175.900 -0.116 0.000 1.064 121 Y CA -0.658 57.390 58.100 -0.088 0.000 1.141 121 Y CB 0.861 39.108 38.460 -0.355 0.000 1.316 121 Y HN 1.876 nan 8.280 nan 0.000 0.509 122 G N 0.687 109.560 108.800 0.121 0.000 2.591 122 G HA2 -0.386 3.584 3.960 0.016 0.000 0.298 122 G HA3 -0.386 3.584 3.960 0.016 0.000 0.298 122 G C 0.834 175.622 174.900 -0.186 0.000 1.195 122 G CA 0.762 45.859 45.100 -0.006 0.000 0.989 122 G HN 0.882 nan 8.290 nan 0.000 0.551 123 E N 0.276 120.268 120.200 -0.348 0.000 2.273 123 E HA -0.165 4.195 4.350 0.016 0.000 0.198 123 E C 1.659 177.762 176.600 -0.828 0.000 1.002 123 E CA 1.334 57.383 56.400 -0.586 0.000 0.828 123 E CB -0.153 29.079 29.700 -0.779 0.000 0.747 123 E HN 0.607 nan 8.360 nan 0.000 0.491 124 H N -1.377 117.411 119.070 -0.470 0.000 2.755 124 H HA 0.171 4.736 4.556 0.015 0.000 0.273 124 H C 0.441 175.540 175.328 -0.381 0.000 1.055 124 H CA -0.047 55.559 56.048 -0.736 0.000 1.191 124 H CB 0.483 29.357 29.762 -1.480 0.000 1.536 124 H HN -0.074 nan 8.280 nan 0.000 0.529 125 S N 2.446 118.082 115.700 -0.106 0.000 2.549 125 S HA 0.047 4.527 4.470 0.016 0.000 0.283 125 S C -1.340 173.281 174.600 0.035 0.000 1.320 125 S CA -1.093 57.125 58.200 0.030 0.000 1.058 125 S CB 1.213 64.484 63.200 0.118 0.000 0.882 125 S HN -0.002 nan 8.310 nan 0.000 0.498 126 P HA 0.033 nan 4.420 nan 0.000 0.218 126 P C 0.974 178.356 177.300 0.137 0.000 1.148 126 P CA 1.111 64.276 63.100 0.109 0.000 0.822 126 P CB -0.027 31.745 31.700 0.120 0.000 0.784 127 G N -2.382 106.538 108.800 0.201 0.000 3.393 127 G HA2 0.371 4.340 3.960 0.016 0.000 0.255 127 G HA3 0.371 4.340 3.960 0.016 0.000 0.255 127 G C 0.834 175.741 174.900 0.012 0.000 1.097 127 G CA 0.209 45.427 45.100 0.196 0.000 0.780 127 G HN 0.354 nan 8.290 nan 0.000 0.540 128 G N -0.641 108.165 108.800 0.011 0.000 2.160 128 G HA2 -0.305 3.665 3.960 0.016 0.000 0.244 128 G HA3 -0.305 3.665 3.960 0.016 0.000 0.244 128 G C 0.051 174.876 174.900 -0.125 0.000 1.022 128 G CA -0.137 44.908 45.100 -0.091 0.000 0.741 128 G HN 0.409 nan 8.290 nan 0.000 0.508 129 Y N 1.635 121.925 120.300 -0.017 0.000 2.309 129 Y HA 0.462 5.021 4.550 0.015 0.000 0.327 129 Y C 1.544 177.442 175.900 -0.003 0.000 1.172 129 Y CA 0.248 58.345 58.100 -0.006 0.000 1.280 129 Y CB 1.020 39.483 38.460 0.005 0.000 1.234 129 Y HN 0.444 nan 8.280 nan 0.000 0.512 130 S N 2.926 118.704 115.700 0.130 0.000 2.587 130 S HA -0.054 4.426 4.470 0.016 0.000 0.260 130 S C 1.301 175.932 174.600 0.050 0.000 1.353 130 S CA -0.530 57.714 58.200 0.073 0.000 0.995 130 S CB 0.479 63.704 63.200 0.043 0.000 0.912 130 S HN 0.975 nan 8.310 nan 0.000 0.568 131 M N 0.438 120.019 119.600 -0.032 0.000 2.108 131 M HA -0.095 4.395 4.480 0.016 0.000 0.261 131 M C 1.841 178.041 176.300 -0.165 0.000 1.066 131 M CA 1.604 56.717 55.300 -0.311 0.000 1.107 131 M CB -0.476 31.873 32.600 -0.419 0.000 1.356 131 M HN 0.781 nan 8.290 nan 0.000 0.406 132 L N -0.105 121.091 121.223 -0.045 0.000 2.017 132 L HA -0.159 4.191 4.340 0.016 0.000 0.208 132 L C 2.285 179.173 176.870 0.029 0.000 1.073 132 L CA 2.063 56.906 54.840 0.006 0.000 0.745 132 L CB -0.929 41.140 42.059 0.017 0.000 0.894 132 L HN 0.274 nan 8.230 nan 0.000 0.432 133 S N -0.224 115.507 115.700 0.053 0.000 2.374 133 S HA -0.243 4.236 4.470 0.016 0.000 0.227 133 S C 2.067 176.686 174.600 0.032 0.000 1.037 133 S CA 1.323 59.565 58.200 0.070 0.000 1.024 133 S CB -0.678 62.638 63.200 0.194 0.000 0.861 133 S HN 0.692 nan 8.310 nan 0.000 0.456 134 A N 1.084 123.928 122.820 0.039 0.000 1.898 134 A HA -0.006 4.324 4.320 0.016 0.000 0.216 134 A C 2.124 179.824 177.584 0.193 0.000 1.181 134 A CA 1.365 53.452 52.037 0.083 0.000 0.620 134 A CB -0.689 18.305 19.000 -0.009 0.000 0.819 134 A HN 0.425 nan 8.150 nan 0.000 0.442 135 L N 0.052 121.416 121.223 0.236 0.000 2.012 135 L HA -0.125 4.225 4.340 0.016 0.000 0.210 135 L C 2.353 179.227 176.870 0.005 0.000 1.073 135 L CA 2.134 57.055 54.840 0.135 0.000 0.748 135 L CB -0.569 41.537 42.059 0.079 0.000 0.891 135 L HN 0.147 nan 8.230 nan 0.000 0.431 136 V N -1.362 118.559 119.914 0.011 0.000 2.307 136 V HA -0.244 3.886 4.120 0.016 0.000 0.245 136 V C 2.543 178.620 176.094 -0.028 0.000 1.045 136 V CA 1.597 63.889 62.300 -0.013 0.000 1.024 136 V CB -0.551 31.269 31.823 -0.005 0.000 0.651 136 V HN 0.406 nan 8.190 nan 0.000 0.449 137 V N -0.195 119.700 119.914 -0.031 0.000 2.343 137 V HA -0.219 3.910 4.120 0.016 0.000 0.247 137 V C 2.644 178.703 176.094 -0.059 0.000 1.051 137 V CA 2.112 64.377 62.300 -0.059 0.000 1.036 137 V CB -0.328 31.434 31.823 -0.102 0.000 0.654 137 V HN 0.590 nan 8.190 nan 0.000 0.451 138 E N -0.626 119.555 120.200 -0.031 0.000 2.106 138 E HA -0.166 4.194 4.350 0.016 0.000 0.192 138 E C 2.071 178.625 176.600 -0.076 0.000 0.984 138 E CA 1.077 57.450 56.400 -0.045 0.000 0.806 138 E CB -0.219 29.486 29.700 0.008 0.000 0.750 138 E HN 0.451 nan 8.360 nan 0.000 0.458 139 L N 0.516 121.690 121.223 -0.081 0.000 2.005 139 L HA -0.144 4.205 4.340 0.016 0.000 0.207 139 L C 2.428 179.271 176.870 -0.046 0.000 1.072 139 L CA 1.197 55.993 54.840 -0.073 0.000 0.744 139 L CB -0.646 41.370 42.059 -0.071 0.000 0.895 139 L HN -0.086 nan 8.230 nan 0.000 0.433 140 V N -0.557 119.333 119.914 -0.041 0.000 2.343 140 V HA -0.300 3.830 4.120 0.016 0.000 0.247 140 V C 2.409 178.489 176.094 -0.024 0.000 1.051 140 V CA 1.897 64.180 62.300 -0.028 0.000 1.036 140 V CB -0.443 31.363 31.823 -0.028 0.000 0.654 140 V HN 0.381 nan 8.190 nan 0.000 0.451 141 L N -0.862 120.333 121.223 -0.046 0.000 2.240 141 L HA -0.061 4.288 4.340 0.016 0.000 0.211 141 L C 2.559 179.418 176.870 -0.019 0.000 1.106 141 L CA 0.968 55.776 54.840 -0.054 0.000 0.793 141 L CB -0.444 41.543 42.059 -0.121 0.000 0.927 141 L HN 0.270 nan 8.230 nan 0.000 0.446 142 S N 0.140 115.827 115.700 -0.021 0.000 2.355 142 S HA -0.136 4.344 4.470 0.016 0.000 0.222 142 S C 2.245 176.889 174.600 0.073 0.000 1.031 142 S CA 1.194 59.414 58.200 0.034 0.000 0.993 142 S CB -0.193 63.004 63.200 -0.005 0.000 0.859 142 S HN 0.480 nan 8.310 nan 0.000 0.453 143 A N 1.470 124.307 122.820 0.029 0.000 1.883 143 A HA -0.027 4.303 4.320 0.016 0.000 0.217 143 A C 2.322 179.934 177.584 0.047 0.000 1.186 143 A CA 1.945 53.996 52.037 0.024 0.000 0.624 143 A CB -1.479 17.522 19.000 0.002 0.000 0.822 143 A HN 0.532 nan 8.150 nan 0.000 0.444 144 G N -1.711 107.124 108.800 0.059 0.000 2.408 144 G HA2 -0.172 3.798 3.960 0.016 0.000 0.217 144 G HA3 -0.172 3.798 3.960 0.016 0.000 0.217 144 G C 1.409 176.396 174.900 0.145 0.000 1.150 144 G CA 1.048 46.194 45.100 0.076 0.000 0.776 144 G HN 0.394 nan 8.290 nan 0.000 0.542 145 F N 1.111 121.047 119.950 -0.023 0.000 2.095 145 F HA -0.017 4.521 4.527 0.018 0.000 0.298 145 F C 2.414 178.208 175.800 -0.010 0.000 1.104 145 F CA 0.937 58.925 58.000 -0.020 0.000 1.232 145 F CB -0.493 38.486 39.000 -0.034 0.000 0.987 145 F HN 0.053 nan 8.300 nan 0.000 0.475 146 L N -0.614 120.634 121.223 0.042 0.000 2.093 146 L HA -0.181 4.169 4.340 0.016 0.000 0.208 146 L C 2.490 179.356 176.870 -0.006 0.000 1.085 146 L CA 1.079 55.897 54.840 -0.036 0.000 0.755 146 L CB -0.745 41.318 42.059 0.008 0.000 0.904 146 L HN 0.202 nan 8.230 nan 0.000 0.435 147 L N -1.329 119.887 121.223 -0.012 0.000 2.046 147 L HA -0.205 4.145 4.340 0.016 0.000 0.208 147 L C 2.336 179.191 176.870 -0.025 0.000 1.077 147 L CA 1.001 55.842 54.840 0.001 0.000 0.747 147 L CB -0.030 42.064 42.059 0.058 0.000 0.896 147 L HN 0.014 nan 8.230 nan 0.000 0.432 148 V N 0.126 120.031 119.914 -0.015 0.000 2.358 148 V HA -0.293 3.836 4.120 0.016 0.000 0.246 148 V C 2.331 178.348 176.094 -0.128 0.000 1.047 148 V CA 1.952 64.234 62.300 -0.030 0.000 1.035 148 V CB -0.317 31.529 31.823 0.038 0.000 0.658 148 V HN 0.376 nan 8.190 nan 0.000 0.452 149 I N -0.528 119.908 120.570 -0.222 0.000 2.163 149 I HA -0.281 3.899 4.170 0.016 0.000 0.243 149 I C 2.503 178.432 176.117 -0.314 0.000 1.085 149 I CA 1.788 62.902 61.300 -0.310 0.000 1.347 149 I CB -0.512 37.211 38.000 -0.462 0.000 1.044 149 I HN 0.352 nan 8.210 nan 0.000 0.408 150 H N 0.307 119.110 119.070 -0.445 0.000 2.293 150 H HA -0.094 4.471 4.556 0.015 0.000 0.300 150 H C 2.327 177.145 175.328 -0.850 0.000 1.082 150 H CA 1.755 57.402 56.048 -0.668 0.000 1.308 150 H CB -0.804 28.417 29.762 -0.902 0.000 1.375 150 H HN 0.308 nan 8.280 nan 0.000 0.495 151 G N -0.152 108.211 108.800 -0.727 0.000 2.418 151 G HA2 -0.221 3.748 3.960 0.016 0.000 0.217 151 G HA3 -0.221 3.748 3.960 0.016 0.000 0.217 151 G C 1.848 176.699 174.900 -0.082 0.000 1.158 151 G CA 0.831 45.746 45.100 -0.308 0.000 0.771 151 G HN 0.533 nan 8.290 nan 0.000 0.545 152 A N 0.438 123.200 122.820 -0.097 0.000 2.121 152 A HA 0.096 4.425 4.320 0.016 0.000 0.218 152 A C 2.379 179.944 177.584 -0.032 0.000 1.154 152 A CA 2.287 54.305 52.037 -0.031 0.000 0.679 152 A CB -0.488 18.494 19.000 -0.030 0.000 0.795 152 A HN 0.530 nan 8.150 nan 0.000 0.458 153 T N -3.342 111.154 114.554 -0.096 0.000 3.054 153 T HA 0.122 4.481 4.350 0.016 0.000 0.255 153 T C 0.391 175.059 174.700 -0.053 0.000 1.035 153 T CA -0.010 62.040 62.100 -0.083 0.000 0.941 153 T CB -0.280 68.500 68.868 -0.147 0.000 1.026 153 T HN 0.354 nan 8.240 nan 0.000 0.533 154 D N 2.072 122.460 120.400 -0.020 0.000 2.515 154 D HA -0.059 4.590 4.640 0.016 0.000 0.232 154 D C 1.202 177.533 176.300 0.051 0.000 1.157 154 D CA 0.262 54.314 54.000 0.086 0.000 0.871 154 D CB 0.838 41.783 40.800 0.242 0.000 1.200 154 D HN 0.202 nan 8.370 nan 0.000 0.466 155 K N 2.532 122.933 120.400 0.001 0.000 2.097 155 K HA -0.239 4.090 4.320 0.016 0.000 0.214 155 K C 1.650 178.094 176.600 -0.261 0.000 1.052 155 K CA 1.687 57.854 56.287 -0.200 0.000 0.932 155 K CB -0.146 32.127 32.500 -0.379 0.000 0.716 155 K HN 0.475 nan 8.250 nan 0.000 0.455 156 F N 0.187 120.174 119.950 0.062 0.000 2.765 156 F HA 0.227 4.763 4.527 0.015 0.000 0.302 156 F C 0.807 176.643 175.800 0.059 0.000 1.111 156 F CA -0.341 57.693 58.000 0.056 0.000 1.359 156 F CB 0.264 39.294 39.000 0.050 0.000 1.097 156 F HN -0.046 nan 8.300 nan 0.000 0.577 157 A N 1.552 124.486 122.820 0.190 0.000 2.440 157 A HA 0.370 4.699 4.320 0.016 0.000 0.251 157 A C -2.076 175.587 177.584 0.130 0.000 1.089 157 A CA -1.385 50.736 52.037 0.140 0.000 0.779 157 A CB -0.457 18.607 19.000 0.107 0.000 1.022 157 A HN -0.089 nan 8.150 nan 0.000 0.492 158 P HA 0.203 nan 4.420 nan 0.000 0.264 158 P C -0.053 177.418 177.300 0.285 0.000 1.193 158 P CA 0.405 63.629 63.100 0.206 0.000 0.763 158 P CB 0.459 32.276 31.700 0.196 0.000 0.810 159 A N 2.962 125.907 122.820 0.209 0.000 2.488 159 A HA 0.481 4.810 4.320 0.016 0.000 0.249 159 A C 1.468 179.119 177.584 0.111 0.000 1.083 159 A CA 0.725 52.843 52.037 0.135 0.000 0.768 159 A CB -0.768 18.275 19.000 0.072 0.000 1.017 159 A HN 0.834 nan 8.150 nan 0.000 0.496 160 G N 0.707 109.540 108.800 0.055 0.000 2.259 160 G HA2 -0.242 3.728 3.960 0.016 0.000 0.217 160 G HA3 -0.242 3.728 3.960 0.016 0.000 0.217 160 G C 0.513 175.377 174.900 -0.059 0.000 1.001 160 G CA 0.532 45.601 45.100 -0.052 0.000 0.627 160 G HN 0.682 nan 8.290 nan 0.000 0.501 161 F N 1.856 121.868 119.950 0.104 0.000 2.789 161 F HA 0.520 5.055 4.527 0.014 0.000 0.300 161 F C 2.687 178.489 175.800 0.003 0.000 1.132 161 F CA 1.127 59.186 58.000 0.099 0.000 1.404 161 F CB 0.045 39.098 39.000 0.087 0.000 1.114 161 F HN 0.322 nan 8.300 nan 0.000 0.584 162 A N 1.129 124.005 122.820 0.093 0.000 1.917 162 A HA -0.156 4.174 4.320 0.016 0.000 0.219 162 A C -0.225 177.297 177.584 -0.105 0.000 1.182 162 A CA 1.697 53.730 52.037 -0.006 0.000 0.633 162 A CB -1.846 17.128 19.000 -0.044 0.000 0.819 162 A HN 0.197 nan 8.150 nan 0.000 0.448 163 P HA -0.109 nan 4.420 nan 0.000 0.218 163 P C 1.285 178.447 177.300 -0.230 0.000 1.149 163 P CA 0.889 63.705 63.100 -0.473 0.000 0.817 163 P CB -0.087 30.775 31.700 -1.396 0.000 0.785 164 I N -0.512 120.012 120.570 -0.077 0.000 2.133 164 I HA -0.246 3.934 4.170 0.016 0.000 0.238 164 I C 2.410 178.600 176.117 0.121 0.000 1.074 164 I CA 1.522 62.904 61.300 0.137 0.000 1.342 164 I CB -1.053 37.116 38.000 0.282 0.000 1.053 164 I HN -0.109 nan 8.210 nan 0.000 0.404 165 A N 1.030 123.917 122.820 0.112 0.000 1.892 165 A HA -0.231 4.099 4.320 0.016 0.000 0.218 165 A C 2.317 179.961 177.584 0.100 0.000 1.188 165 A CA 1.986 54.080 52.037 0.095 0.000 0.631 165 A CB -1.008 18.035 19.000 0.072 0.000 0.822 165 A HN 0.425 nan 8.150 nan 0.000 0.447 166 I N -0.864 119.749 120.570 0.071 0.000 2.233 166 I HA -0.113 4.066 4.170 0.016 0.000 0.243 166 I C 2.738 179.014 176.117 0.266 0.000 1.093 166 I CA 0.997 62.365 61.300 0.113 0.000 1.380 166 I CB -0.657 37.330 38.000 -0.023 0.000 1.067 166 I HN 0.394 nan 8.210 nan 0.000 0.413 167 G N 1.136 110.051 108.800 0.192 0.000 2.418 167 G HA2 -0.176 3.794 3.960 0.016 0.000 0.217 167 G HA3 -0.176 3.794 3.960 0.016 0.000 0.217 167 G C 1.700 176.720 174.900 0.200 0.000 1.158 167 G CA 0.500 45.732 45.100 0.220 0.000 0.771 167 G HN 0.251 nan 8.290 nan 0.000 0.545 168 L N 0.642 121.965 121.223 0.167 0.000 2.141 168 L HA 0.016 4.366 4.340 0.016 0.000 0.209 168 L C 3.348 180.304 176.870 0.143 0.000 1.094 168 L CA 0.731 55.656 54.840 0.142 0.000 0.763 168 L CB -0.376 41.758 42.059 0.124 0.000 0.908 168 L HN 0.304 nan 8.230 nan 0.000 0.437 169 A N 0.050 122.979 122.820 0.182 0.000 1.972 169 A HA -0.208 4.122 4.320 0.016 0.000 0.219 169 A C 2.204 179.857 177.584 0.114 0.000 1.169 169 A CA 1.478 53.630 52.037 0.192 0.000 0.635 169 A CB -0.470 18.721 19.000 0.319 0.000 0.810 169 A HN 0.324 nan 8.150 nan 0.000 0.446 170 L N -0.670 120.624 121.223 0.118 0.000 2.131 170 L HA -0.030 4.320 4.340 0.016 0.000 0.206 170 L C 2.471 179.431 176.870 0.150 0.000 1.087 170 L CA 2.392 57.214 54.840 -0.030 0.000 0.767 170 L CB -0.863 41.189 42.059 -0.012 0.000 0.917 170 L HN 0.349 nan 8.230 nan 0.000 0.441 171 T N -0.033 114.606 114.554 0.142 0.000 2.652 171 T HA -0.236 4.124 4.350 0.016 0.000 0.267 171 T C 1.791 176.561 174.700 0.117 0.000 1.039 171 T CA 1.947 64.128 62.100 0.135 0.000 1.153 171 T CB -0.496 68.436 68.868 0.107 0.000 0.863 171 T HN 0.323 nan 8.240 nan 0.000 0.428 172 L N 1.182 122.453 121.223 0.080 0.000 1.990 172 L HA -0.060 4.290 4.340 0.016 0.000 0.213 172 L C 2.225 179.095 176.870 -0.001 0.000 1.072 172 L CA 1.625 56.492 54.840 0.046 0.000 0.755 172 L CB -0.838 41.248 42.059 0.045 0.000 0.889 172 L HN 0.286 nan 8.230 nan 0.000 0.432 173 I N -0.719 119.820 120.570 -0.052 0.000 2.185 173 I HA -0.414 3.766 4.170 0.016 0.000 0.246 173 I C 2.366 178.330 176.117 -0.254 0.000 1.088 173 I CA 1.877 63.065 61.300 -0.185 0.000 1.347 173 I CB -0.491 37.313 38.000 -0.327 0.000 1.041 173 I HN 0.436 nan 8.210 nan 0.000 0.415 174 H N -0.126 118.837 119.070 -0.180 0.000 2.428 174 H HA -0.013 4.552 4.556 0.015 0.000 0.296 174 H C 2.144 177.407 175.328 -0.108 0.000 1.062 174 H CA 1.010 56.950 56.048 -0.180 0.000 1.350 174 H CB -0.084 29.602 29.762 -0.127 0.000 1.403 174 H HN 0.225 nan 8.280 nan 0.000 0.533 175 L N -0.256 121.006 121.223 0.065 0.000 2.131 175 L HA -0.155 4.195 4.340 0.016 0.000 0.210 175 L C 1.769 178.642 176.870 0.005 0.000 1.092 175 L CA 1.083 55.955 54.840 0.054 0.000 0.759 175 L CB -0.254 41.841 42.059 0.061 0.000 0.903 175 L HN 0.308 nan 8.230 nan 0.000 0.435 176 I N -1.071 119.472 120.570 -0.046 0.000 2.339 176 I HA -0.175 4.005 4.170 0.016 0.000 0.245 176 I C 2.331 178.371 176.117 -0.129 0.000 1.096 176 I CA 1.459 62.716 61.300 -0.071 0.000 1.408 176 I CB -0.113 37.836 38.000 -0.085 0.000 1.092 176 I HN 0.238 nan 8.210 nan 0.000 0.423 177 S N -0.365 115.218 115.700 -0.194 0.000 2.523 177 S HA 0.248 4.728 4.470 0.016 0.000 0.217 177 S C 1.760 176.190 174.600 -0.283 0.000 0.996 177 S CA -0.340 57.711 58.200 -0.247 0.000 0.921 177 S CB -0.341 62.700 63.200 -0.266 0.000 0.829 177 S HN 0.272 nan 8.310 nan 0.000 0.495 178 I N 2.492 122.873 120.570 -0.314 0.000 2.145 178 I HA -0.117 4.063 4.170 0.016 0.000 0.244 178 I C -0.970 174.921 176.117 -0.377 0.000 1.075 178 I CA 1.351 62.397 61.300 -0.423 0.000 1.332 178 I CB -1.219 36.362 38.000 -0.698 0.000 1.033 178 I HN 0.248 nan 8.210 nan 0.000 0.410 179 P HA -0.095 nan 4.420 nan 0.000 0.225 179 P C 1.644 178.907 177.300 -0.062 0.000 1.148 179 P CA 1.018 64.083 63.100 -0.059 0.000 0.779 179 P CB 0.098 31.850 31.700 0.086 0.000 0.780 180 V N -1.030 118.731 119.914 -0.254 0.000 2.374 180 V HA -0.055 4.074 4.120 0.016 0.000 0.241 180 V C 1.934 177.995 176.094 -0.054 0.000 1.034 180 V CA 2.357 64.456 62.300 -0.336 0.000 1.037 180 V CB -1.303 30.221 31.823 -0.499 0.000 0.682 180 V HN 0.220 nan 8.190 nan 0.000 0.463 181 T N -4.759 109.760 114.554 -0.059 0.000 3.144 181 T HA 0.232 4.592 4.350 0.016 0.000 0.290 181 T C 0.747 175.402 174.700 -0.076 0.000 0.966 181 T CA 0.346 62.473 62.100 0.045 0.000 0.907 181 T CB -0.062 68.920 68.868 0.190 0.000 1.152 181 T HN 0.241 nan 8.240 nan 0.000 0.532 182 N N 1.066 119.682 118.700 -0.140 0.000 2.815 182 N HA -0.175 4.575 4.740 0.016 0.000 0.247 182 N C -0.641 174.703 175.510 -0.277 0.000 1.030 182 N CA 1.597 54.531 53.050 -0.194 0.000 0.881 182 N CB -2.007 36.416 38.487 -0.106 0.000 1.134 182 N HN 0.792 nan 8.380 nan 0.000 0.582 183 T N -2.019 112.336 114.554 -0.332 0.000 0.915 183 T HA -0.174 4.186 4.350 0.016 0.000 0.734 183 T C 0.730 175.110 174.700 -0.534 0.000 0.985 183 T CA 1.005 62.799 62.100 -0.510 0.000 3.878 183 T CB -1.175 67.145 68.868 -0.914 0.000 2.195 183 T HN 0.484 nan 8.240 nan 0.000 0.387 184 S N 2.430 117.890 115.700 -0.400 0.000 2.440 184 S HA 0.255 4.735 4.470 0.016 0.000 0.194 184 S C 2.158 176.545 174.600 -0.355 0.000 0.952 184 S CA 1.572 59.553 58.200 -0.365 0.000 0.898 184 S CB -0.245 62.837 63.200 -0.197 0.000 0.875 184 S HN 2.296 nan 8.310 nan 0.000 0.581 185 V N 0.934 120.709 119.914 -0.232 0.000 2.888 185 V HA -0.167 3.962 4.120 0.016 0.000 0.152 185 V C -0.524 175.478 176.094 -0.152 0.000 0.471 185 V CA 1.604 63.786 62.300 -0.196 0.000 1.184 185 V CB -2.833 28.810 31.823 -0.300 0.000 1.371 185 V HN 0.725 nan 8.190 nan 0.000 1.055 186 N N -0.566 118.030 118.700 -0.173 0.000 2.812 186 N HA 0.396 5.146 4.740 0.016 0.000 0.262 186 N C -2.097 173.256 175.510 -0.262 0.000 1.241 186 N CA -0.877 52.074 53.050 -0.165 0.000 0.854 186 N CB 2.104 40.519 38.487 -0.120 0.000 1.506 186 N HN 0.072 nan 8.380 nan 0.000 0.576 187 P HA 0.045 nan 4.420 nan 0.000 0.219 187 P C 1.040 177.991 177.300 -0.581 0.000 1.150 187 P CA 1.032 63.586 63.100 -0.909 0.000 0.814 187 P CB 0.393 30.888 31.700 -2.009 0.000 0.787 188 A N 0.238 122.871 122.820 -0.312 0.000 1.902 188 A HA -0.211 4.118 4.320 0.016 0.000 0.217 188 A C 2.406 180.014 177.584 0.040 0.000 1.181 188 A CA 1.322 53.347 52.037 -0.020 0.000 0.623 188 A CB -1.089 17.952 19.000 0.068 0.000 0.818 188 A HN -0.004 nan 8.150 nan 0.000 0.443 189 R N 0.187 120.686 120.500 -0.001 0.000 2.081 189 R HA -0.093 4.256 4.340 0.016 0.000 0.235 189 R C 2.086 178.390 176.300 0.006 0.000 1.131 189 R CA 1.996 58.123 56.100 0.043 0.000 0.960 189 R CB -0.482 29.816 30.300 -0.004 0.000 0.856 189 R HN 0.485 nan 8.270 nan 0.000 0.436 190 S N -0.045 115.612 115.700 -0.071 0.000 2.371 190 S HA -0.066 4.413 4.470 0.016 0.000 0.224 190 S C 1.878 176.519 174.600 0.068 0.000 1.029 190 S CA 1.703 59.861 58.200 -0.069 0.000 0.978 190 S CB -0.209 62.923 63.200 -0.114 0.000 0.833 190 S HN 0.459 nan 8.310 nan 0.000 0.466 191 T N 2.666 117.313 114.554 0.155 0.000 2.746 191 T HA -0.049 4.311 4.350 0.016 0.000 0.267 191 T C 2.186 177.011 174.700 0.209 0.000 1.039 191 T CA 1.216 63.474 62.100 0.264 0.000 1.142 191 T CB -0.570 68.548 68.868 0.416 0.000 0.866 191 T HN 0.455 nan 8.240 nan 0.000 0.444 192 A N 1.554 124.494 122.820 0.201 0.000 1.873 192 A HA -0.109 4.220 4.320 0.016 0.000 0.218 192 A C 2.651 180.443 177.584 0.346 0.000 1.193 192 A CA 2.268 54.456 52.037 0.251 0.000 0.629 192 A CB -1.026 18.095 19.000 0.201 0.000 0.826 192 A HN 0.516 nan 8.150 nan 0.000 0.447 193 V N -3.211 116.862 119.914 0.264 0.000 2.878 193 V HA 0.281 4.411 4.120 0.016 0.000 0.250 193 V C 2.473 178.760 176.094 0.322 0.000 1.075 193 V CA 1.145 63.671 62.300 0.376 0.000 1.096 193 V CB -1.103 30.790 31.823 0.117 0.000 0.724 193 V HN 0.509 nan 8.190 nan 0.000 0.467 194 A N 1.179 124.082 122.820 0.138 0.000 1.933 194 A HA -0.083 4.247 4.320 0.016 0.000 0.218 194 A C 2.167 179.748 177.584 -0.004 0.000 1.175 194 A CA 2.156 54.196 52.037 0.004 0.000 0.628 194 A CB -0.722 18.282 19.000 0.007 0.000 0.814 194 A HN 0.557 nan 8.150 nan 0.000 0.444 195 I N -1.906 118.681 120.570 0.028 0.000 2.264 195 I HA -0.277 3.902 4.170 0.016 0.000 0.248 195 I C 2.058 177.981 176.117 -0.324 0.000 1.111 195 I CA 1.489 62.690 61.300 -0.165 0.000 1.382 195 I CB -0.273 37.578 38.000 -0.248 0.000 1.060 195 I HN 0.356 nan 8.210 nan 0.000 0.418 196 F N -0.520 119.402 119.950 -0.046 0.000 2.446 196 F HA -0.046 4.492 4.527 0.017 0.000 0.292 196 F C 2.587 178.293 175.800 -0.155 0.000 1.096 196 F CA 0.481 58.369 58.000 -0.186 0.000 1.438 196 F CB -0.392 38.439 39.000 -0.281 0.000 1.107 196 F HN -0.005 nan 8.300 nan 0.000 0.546 197 Q N 0.996 120.851 119.800 0.091 0.000 2.061 197 Q HA -0.119 4.231 4.340 0.016 0.000 0.204 197 Q C 1.991 177.892 176.000 -0.166 0.000 0.984 197 Q CA 1.826 57.589 55.803 -0.066 0.000 0.846 197 Q CB -0.625 27.969 28.738 -0.241 0.000 0.902 197 Q HN 0.521 nan 8.270 nan 0.000 0.421 198 G N -1.307 107.383 108.800 -0.183 0.000 2.179 198 G HA2 -0.268 3.702 3.960 0.016 0.000 0.260 198 G HA3 -0.268 3.702 3.960 0.016 0.000 0.260 198 G C 0.467 175.279 174.900 -0.146 0.000 0.977 198 G CA 1.044 46.049 45.100 -0.159 0.000 0.641 198 G HN 0.772 nan 8.290 nan 0.000 0.533 199 G N -0.470 108.199 108.800 -0.218 0.000 2.890 199 G HA2 0.450 4.420 3.960 0.016 0.000 0.199 199 G HA3 0.450 4.420 3.960 0.016 0.000 0.199 199 G C 1.312 176.127 174.900 -0.143 0.000 1.729 199 G CA 0.592 45.608 45.100 -0.140 0.000 0.767 199 G HN 0.698 nan 8.290 nan 0.000 0.804 200 W N 1.374 122.602 121.300 -0.120 0.000 2.392 200 W HA 0.171 4.839 4.660 0.013 0.000 0.279 200 W C 1.838 178.261 176.519 -0.159 0.000 1.225 200 W CA 1.211 58.428 57.345 -0.214 0.000 1.233 200 W CB -0.834 28.253 29.460 -0.622 0.000 1.122 200 W HN 0.321 nan 8.180 nan 0.000 0.561 201 A N 1.940 124.304 122.820 -0.760 0.000 1.930 201 A HA -0.087 4.243 4.320 0.016 0.000 0.217 201 A C 2.278 179.811 177.584 -0.085 0.000 1.175 201 A CA 1.583 53.275 52.037 -0.574 0.000 0.627 201 A CB -0.973 17.527 19.000 -0.834 0.000 0.815 201 A HN 0.364 nan 8.150 nan 0.000 0.443 202 L N -0.648 120.531 121.223 -0.073 0.000 2.156 202 L HA -0.155 4.195 4.340 0.016 0.000 0.208 202 L C 2.447 179.416 176.870 0.164 0.000 1.095 202 L CA 1.301 56.174 54.840 0.056 0.000 0.770 202 L CB -0.520 41.544 42.059 0.007 0.000 0.914 202 L HN 0.490 nan 8.230 nan 0.000 0.439 203 E N -0.197 120.107 120.200 0.172 0.000 2.208 203 E HA -0.199 4.161 4.350 0.016 0.000 0.193 203 E C 1.730 178.575 176.600 0.408 0.000 0.988 203 E CA 0.766 57.324 56.400 0.263 0.000 0.828 203 E CB 0.014 29.847 29.700 0.221 0.000 0.763 203 E HN 0.592 nan 8.360 nan 0.000 0.478 204 Q N 0.147 120.147 119.800 0.332 0.000 2.319 204 Q HA 0.051 4.400 4.340 0.016 0.000 0.202 204 Q C 1.818 177.968 176.000 0.250 0.000 0.896 204 Q CA -0.219 55.744 55.803 0.267 0.000 0.942 204 Q CB 0.320 29.133 28.738 0.126 0.000 1.083 204 Q HN 0.130 nan 8.270 nan 0.000 0.510 205 L N 1.821 123.268 121.223 0.372 0.000 2.043 205 L HA -0.192 4.158 4.340 0.016 0.000 0.212 205 L C 2.127 179.287 176.870 0.483 0.000 1.075 205 L CA 1.821 56.932 54.840 0.451 0.000 0.752 205 L CB -0.828 41.467 42.059 0.394 0.000 0.891 205 L HN 0.520 nan 8.230 nan 0.000 0.432 206 W N -1.120 120.416 121.300 0.393 0.000 2.305 206 W HA -0.344 4.327 4.660 0.019 0.000 0.308 206 W C 2.210 178.928 176.519 0.331 0.000 1.226 206 W CA 1.255 58.799 57.345 0.332 0.000 1.253 206 W CB -1.949 27.636 29.460 0.209 0.000 1.146 206 W HN 0.280 nan 8.180 nan 0.000 0.507 207 F N 1.240 120.456 119.950 -1.224 0.000 2.120 207 F HA -0.210 4.326 4.527 0.015 0.000 0.300 207 F C 1.828 177.223 175.800 -0.674 0.000 1.095 207 F CA 2.243 59.447 58.000 -1.326 0.000 1.249 207 F CB -0.678 37.420 39.000 -1.504 0.000 0.995 207 F HN -0.263 nan 8.300 nan 0.000 0.480 208 F N -2.350 117.613 119.950 0.022 0.000 2.732 208 F HA 0.084 4.622 4.527 0.018 0.000 0.303 208 F C 1.010 176.725 175.800 -0.140 0.000 1.110 208 F CA -0.237 57.741 58.000 -0.036 0.000 1.355 208 F CB -0.805 38.210 39.000 0.026 0.000 1.081 208 F HN -0.012 nan 8.300 nan 0.000 0.565 209 W N -1.081 120.280 121.300 0.103 0.000 2.601 209 W HA 0.054 4.725 4.660 0.019 0.000 0.292 209 W C 2.195 178.722 176.519 0.014 0.000 1.153 209 W CA 0.807 58.205 57.345 0.089 0.000 1.448 209 W CB -0.806 28.734 29.460 0.133 0.000 1.113 209 W HN -0.342 nan 8.180 nan 0.000 0.548 210 V N 0.113 120.146 119.914 0.198 0.000 2.261 210 V HA -0.293 3.837 4.120 0.016 0.000 0.246 210 V C 1.880 177.919 176.094 -0.092 0.000 1.047 210 V CA 1.867 64.217 62.300 0.082 0.000 1.015 210 V CB -1.283 30.615 31.823 0.125 0.000 0.642 210 V HN -0.003 nan 8.190 nan 0.000 0.446 211 V N 0.127 119.841 119.914 -0.334 0.000 2.270 211 V HA -0.124 4.006 4.120 0.016 0.000 0.245 211 V C 0.083 176.057 176.094 -0.199 0.000 1.043 211 V CA 2.324 64.392 62.300 -0.386 0.000 1.014 211 V CB -1.915 29.440 31.823 -0.781 0.000 0.645 211 V HN 0.496 nan 8.190 nan 0.000 0.447 212 P HA -0.128 nan 4.420 nan 0.000 0.216 212 P C 1.806 179.085 177.300 -0.036 0.000 1.150 212 P CA 1.558 64.609 63.100 -0.081 0.000 0.837 212 P CB -0.023 31.625 31.700 -0.086 0.000 0.786 213 I N -1.433 119.129 120.570 -0.014 0.000 2.202 213 I HA -0.187 3.993 4.170 0.016 0.000 0.242 213 I C 2.166 178.312 176.117 0.048 0.000 1.091 213 I CA 1.274 62.601 61.300 0.045 0.000 1.368 213 I CB -0.736 37.328 38.000 0.106 0.000 1.058 213 I HN -0.188 nan 8.210 nan 0.000 0.410 214 V N 1.112 121.039 119.914 0.021 0.000 2.343 214 V HA -0.224 3.906 4.120 0.016 0.000 0.247 214 V C 2.564 178.662 176.094 0.006 0.000 1.051 214 V CA 2.199 64.510 62.300 0.019 0.000 1.036 214 V CB -1.393 30.424 31.823 -0.010 0.000 0.654 214 V HN 0.583 nan 8.190 nan 0.000 0.451 215 G N -0.005 108.784 108.800 -0.018 0.000 2.421 215 G HA2 -0.145 3.824 3.960 0.016 0.000 0.216 215 G HA3 -0.145 3.824 3.960 0.016 0.000 0.216 215 G C 1.656 176.561 174.900 0.009 0.000 1.171 215 G CA 0.912 46.003 45.100 -0.016 0.000 0.775 215 G HN 0.572 nan 8.290 nan 0.000 0.543 216 G N 1.135 109.951 108.800 0.027 0.000 2.446 216 G HA2 -0.219 3.750 3.960 0.016 0.000 0.217 216 G HA3 -0.219 3.750 3.960 0.016 0.000 0.217 216 G C 1.785 176.709 174.900 0.041 0.000 1.168 216 G CA 0.915 46.041 45.100 0.043 0.000 0.771 216 G HN 0.438 nan 8.290 nan 0.000 0.551 217 I N 0.477 121.086 120.570 0.065 0.000 2.118 217 I HA -0.240 3.939 4.170 0.016 0.000 0.241 217 I C 2.735 178.857 176.117 0.007 0.000 1.070 217 I CA 1.176 62.519 61.300 0.071 0.000 1.327 217 I CB -0.287 37.781 38.000 0.115 0.000 1.034 217 I HN 0.156 nan 8.210 nan 0.000 0.405 218 I N 0.630 121.201 120.570 0.001 0.000 2.208 218 I HA -0.253 3.926 4.170 0.016 0.000 0.245 218 I C 2.637 178.728 176.117 -0.044 0.000 1.097 218 I CA 1.769 63.057 61.300 -0.019 0.000 1.363 218 I CB -0.776 37.216 38.000 -0.014 0.000 1.051 218 I HN 0.296 nan 8.210 nan 0.000 0.413 219 G N 0.118 108.892 108.800 -0.044 0.000 2.418 219 G HA2 -0.193 3.777 3.960 0.016 0.000 0.217 219 G HA3 -0.193 3.777 3.960 0.016 0.000 0.217 219 G C 1.719 176.501 174.900 -0.198 0.000 1.158 219 G CA 0.804 45.860 45.100 -0.073 0.000 0.771 219 G HN 0.506 nan 8.290 nan 0.000 0.545 220 G N 0.823 109.472 108.800 -0.251 0.000 2.418 220 G HA2 -0.133 3.836 3.960 0.016 0.000 0.217 220 G HA3 -0.133 3.836 3.960 0.016 0.000 0.217 220 G C 1.811 176.540 174.900 -0.286 0.000 1.158 220 G CA 0.715 45.516 45.100 -0.499 0.000 0.771 220 G HN 0.420 nan 8.290 nan 0.000 0.545 221 L N 0.008 121.141 121.223 -0.149 0.000 2.046 221 L HA -0.017 4.332 4.340 0.016 0.000 0.208 221 L C 2.855 179.673 176.870 -0.087 0.000 1.077 221 L CA 0.675 55.453 54.840 -0.105 0.000 0.747 221 L CB -0.367 41.648 42.059 -0.074 0.000 0.896 221 L HN 0.192 nan 8.230 nan 0.000 0.432 222 I N -1.422 119.102 120.570 -0.077 0.000 2.208 222 I HA -0.365 3.814 4.170 0.016 0.000 0.245 222 I C 2.514 178.595 176.117 -0.059 0.000 1.097 222 I CA 1.651 62.917 61.300 -0.056 0.000 1.363 222 I CB -0.331 37.649 38.000 -0.033 0.000 1.051 222 I HN 0.169 nan 8.210 nan 0.000 0.413 223 Y N 1.301 121.493 120.300 -0.179 0.000 2.133 223 Y HA -0.242 4.318 4.550 0.016 0.000 0.287 223 Y C 2.875 178.719 175.900 -0.092 0.000 1.134 223 Y CA 1.667 59.682 58.100 -0.142 0.000 1.133 223 Y CB -0.202 38.132 38.460 -0.211 0.000 0.987 223 Y HN -0.071 nan 8.280 nan 0.000 0.502 224 R N -0.431 120.091 120.500 0.036 0.000 2.083 224 R HA -0.183 4.167 4.340 0.016 0.000 0.237 224 R C 2.091 178.354 176.300 -0.062 0.000 1.137 224 R CA 2.329 58.439 56.100 0.017 0.000 0.951 224 R CB -0.552 29.746 30.300 -0.003 0.000 0.851 224 R HN 0.551 nan 8.270 nan 0.000 0.434 225 T N -2.611 111.894 114.554 -0.081 0.000 3.044 225 T HA 0.097 4.457 4.350 0.016 0.000 0.255 225 T C 1.791 176.432 174.700 -0.098 0.000 1.073 225 T CA 0.403 62.455 62.100 -0.079 0.000 1.125 225 T CB 0.124 68.952 68.868 -0.065 0.000 0.908 225 T HN 0.241 nan 8.240 nan 0.000 0.480 226 L N -0.860 120.286 121.223 -0.128 0.000 2.642 226 L HA 0.484 4.834 4.340 0.016 0.000 0.233 226 L C 2.109 178.867 176.870 -0.186 0.000 1.077 226 L CA 0.093 54.856 54.840 -0.129 0.000 0.879 226 L CB 0.019 42.020 42.059 -0.097 0.000 1.151 226 L HN 0.137 nan 8.230 nan 0.000 0.495 227 L N -0.995 120.036 121.223 -0.320 0.000 2.526 227 L HA 0.215 4.565 4.340 0.016 0.000 0.210 227 L C 1.246 177.816 176.870 -0.501 0.000 1.048 227 L CA 0.118 54.686 54.840 -0.453 0.000 0.852 227 L CB 0.335 42.006 42.059 -0.647 0.000 1.128 227 L HN 0.140 nan 8.230 nan 0.000 0.482 228 E N 0.000 119.846 120.200 -0.590 0.000 2.725 228 E HA 0.000 4.360 4.350 0.016 0.000 0.291 228 E CA 0.000 56.236 56.400 -0.273 0.000 0.976 228 E CB 0.000 29.654 29.700 -0.076 0.000 0.812 228 E HN 0.000 nan 8.360 nan 0.000 0.440