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 1ssm_1_F DATA FIRST_RESID 2 DATA SEQUENCE TLDVWQHIRQ EAKELAENEP XLASFFHSTI LKHQNLGGAL SYLLANKLAN DATA SEQUENCE PIXPAISLRE IIEEAYQSNP SIIDCAACDI QAVRHRDPAV ELWSTPLLYL DATA SEQUENCE KGFHAIQSYR ITHYLWNQNR KSLALYLQNQ ISVAFDVDIH PAAKIGHGIX DATA SEQUENCE FDHATGIVVG ETSVIENDVS ILQGVTLGGT GKESGDRHPK VREGVXIGAG DATA SEQUENCE AKILGNIEVG KYAKIGANSV VLNPVPEYAT AAGVPARIV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.725 174.700 0.042 0.000 1.109 2 T CA 0.000 62.103 62.100 0.005 0.000 1.349 2 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 3 L N 1.871 123.111 121.223 0.029 0.000 2.127 3 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 3 L C 2.052 178.953 176.870 0.052 0.000 1.089 3 L CA 1.506 56.390 54.840 0.073 0.000 0.757 3 L CB -0.624 41.455 42.059 0.032 0.000 0.899 3 L HN 0.285 nan 8.230 nan 0.000 0.434 4 D N -0.246 120.144 120.400 -0.017 0.000 2.123 4 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 4 D C 2.401 178.638 176.300 -0.106 0.000 0.976 4 D CA 0.916 54.864 54.000 -0.086 0.000 0.831 4 D CB -0.006 40.752 40.800 -0.068 0.000 0.974 4 D HN 0.083 nan 8.370 nan 0.000 0.469 5 V N 1.009 120.852 119.914 -0.119 0.000 2.295 5 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 5 V C 2.220 178.281 176.094 -0.055 0.000 1.049 5 V CA 1.463 63.625 62.300 -0.231 0.000 1.024 5 V CB -0.550 31.216 31.823 -0.095 0.000 0.648 5 V HN 0.414 nan 8.190 nan 0.000 0.447 6 W N 0.439 121.662 121.300 -0.130 0.000 2.317 6 W HA -0.263 4.397 4.660 -0.000 0.000 0.318 6 W C 2.529 178.978 176.519 -0.118 0.000 1.227 6 W CA 1.848 59.136 57.345 -0.094 0.000 1.269 6 W CB -0.170 29.244 29.460 -0.077 0.000 1.155 6 W HN 0.257 nan 8.180 nan 0.000 0.484 7 Q N -0.108 119.543 119.800 -0.248 0.000 2.096 7 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 7 Q C 1.816 177.537 176.000 -0.464 0.000 0.982 7 Q CA 2.010 57.562 55.803 -0.417 0.000 0.850 7 Q CB -1.027 27.515 28.738 -0.327 0.000 0.901 7 Q HN 0.609 nan 8.270 nan 0.000 0.422 8 H N -0.187 118.642 119.070 -0.403 0.000 2.389 8 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 8 H C 2.064 177.212 175.328 -0.299 0.000 1.081 8 H CA 1.177 56.991 56.048 -0.390 0.000 1.345 8 H CB -0.023 29.297 29.762 -0.736 0.000 1.393 8 H HN 0.151 nan 8.280 nan 0.000 0.520 9 I N 0.220 120.661 120.570 -0.215 0.000 2.286 9 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 9 I C 2.302 178.182 176.117 -0.396 0.000 1.115 9 I CA 1.140 62.309 61.300 -0.220 0.000 1.392 9 I CB -0.168 37.743 38.000 -0.148 0.000 1.065 9 I HN 0.214 nan 8.210 nan 0.000 0.418 10 R N 0.127 120.237 120.500 -0.650 0.000 2.066 10 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 10 R C 2.339 178.420 176.300 -0.364 0.000 1.131 10 R CA 1.120 56.860 56.100 -0.601 0.000 0.955 10 R CB -0.333 29.538 30.300 -0.715 0.000 0.851 10 R HN 0.390 nan 8.270 nan 0.000 0.432 11 Q N 0.629 120.246 119.800 -0.305 0.000 2.224 11 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 11 Q C 1.678 177.573 176.000 -0.176 0.000 0.970 11 Q CA 1.377 57.054 55.803 -0.210 0.000 0.865 11 Q CB 0.168 28.802 28.738 -0.173 0.000 0.922 11 Q HN 0.451 nan 8.270 nan 0.000 0.445 12 E N -0.248 119.852 120.200 -0.166 0.000 2.107 12 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 12 E C 1.851 178.287 176.600 -0.273 0.000 0.982 12 E CA 0.757 57.068 56.400 -0.148 0.000 0.809 12 E CB 0.025 29.681 29.700 -0.072 0.000 0.756 12 E HN 0.307 nan 8.360 nan 0.000 0.459 13 A N 1.527 124.155 122.820 -0.320 0.000 1.902 13 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 13 A C 1.918 179.256 177.584 -0.410 0.000 1.181 13 A CA 1.445 53.217 52.037 -0.442 0.000 0.623 13 A CB -0.247 18.570 19.000 -0.306 0.000 0.818 13 A HN 0.039 nan 8.150 nan 0.000 0.443 14 K N -0.280 119.952 120.400 -0.280 0.000 2.097 14 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 14 K C 1.992 178.497 176.600 -0.159 0.000 1.049 14 K CA 1.370 57.540 56.287 -0.195 0.000 0.933 14 K CB -0.092 32.324 32.500 -0.139 0.000 0.717 14 K HN 0.463 nan 8.250 nan 0.000 0.442 15 E N 0.774 120.870 120.200 -0.174 0.000 2.017 15 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 15 E C 2.062 178.566 176.600 -0.159 0.000 0.997 15 E CA 0.906 57.228 56.400 -0.131 0.000 0.804 15 E CB -0.259 29.370 29.700 -0.118 0.000 0.757 15 E HN 0.117 nan 8.360 nan 0.000 0.448 16 L N 1.046 122.079 121.223 -0.318 0.000 1.990 16 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 16 L C 2.480 179.218 176.870 -0.220 0.000 1.072 16 L CA 1.961 56.538 54.840 -0.440 0.000 0.755 16 L CB -1.700 39.658 42.059 -1.167 0.000 0.889 16 L HN 0.073 nan 8.230 nan 0.000 0.432 17 A N -0.828 121.859 122.820 -0.223 0.000 1.978 17 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 17 A C 2.103 179.782 177.584 0.159 0.000 1.170 17 A CA 1.548 53.712 52.037 0.212 0.000 0.636 17 A CB -0.369 18.734 19.000 0.171 0.000 0.810 17 A HN 0.583 nan 8.150 nan 0.000 0.448 18 E N -0.029 120.205 120.200 0.058 0.000 2.107 18 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 18 E C 1.084 177.725 176.600 0.067 0.000 0.982 18 E CA 0.955 57.392 56.400 0.062 0.000 0.809 18 E CB -0.299 29.416 29.700 0.025 0.000 0.756 18 E HN 0.585 nan 8.360 nan 0.000 0.459 19 N N 0.989 119.725 118.700 0.060 0.000 2.446 19 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 19 N C 0.221 175.792 175.510 0.102 0.000 1.054 19 N CA 0.593 53.683 53.050 0.066 0.000 0.905 19 N CB 0.344 38.859 38.487 0.046 0.000 0.973 19 N HN 0.052 nan 8.380 nan 0.000 0.448 20 E N 0.883 121.178 120.200 0.160 0.000 2.873 20 E HA 0.351 4.701 4.350 -0.000 0.000 0.232 20 E C -2.594 174.119 176.600 0.189 0.000 1.123 20 E CA -2.519 53.989 56.400 0.179 0.000 0.809 20 E CB 1.009 30.853 29.700 0.241 0.000 1.366 20 E HN -0.029 nan 8.360 nan 0.000 0.400 24 A N 0.005 122.991 122.820 0.277 0.000 1.892 24 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 24 A C 2.286 180.104 177.584 0.390 0.000 1.188 24 A CA 2.575 54.850 52.037 0.396 0.000 0.631 24 A CB -0.714 18.475 19.000 0.315 0.000 0.822 24 A HN 0.660 nan 8.150 nan 0.000 0.447 25 S N -1.369 114.485 115.700 0.257 0.000 2.423 25 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 25 S C 1.791 176.511 174.600 0.200 0.000 1.014 25 S CA 1.356 59.685 58.200 0.214 0.000 0.965 25 S CB -0.686 62.599 63.200 0.142 0.000 0.785 25 S HN 0.567 nan 8.310 nan 0.000 0.495 26 F N 1.964 121.929 119.950 0.024 0.000 2.075 26 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 26 F C 1.767 177.540 175.800 -0.045 0.000 1.113 26 F CA 1.094 59.057 58.000 -0.061 0.000 1.218 26 F CB -0.707 38.141 39.000 -0.253 0.000 0.984 26 F HN 0.212 nan 8.300 nan 0.000 0.472 27 F N -0.422 119.535 119.950 0.012 0.000 2.216 27 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 27 F C 2.714 178.373 175.800 -0.234 0.000 1.085 27 F CA 1.382 59.288 58.000 -0.156 0.000 1.326 27 F CB -0.583 38.394 39.000 -0.039 0.000 1.027 27 F HN 0.115 nan 8.300 nan 0.000 0.497 28 H N -1.229 117.883 119.070 0.071 0.000 2.363 28 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 28 H C 2.442 177.694 175.328 -0.127 0.000 1.074 28 H CA 1.511 57.554 56.048 -0.008 0.000 1.354 28 H CB -0.278 29.489 29.762 0.008 0.000 1.397 28 H HN 0.148 nan 8.280 nan 0.000 0.516 29 S N -0.076 115.594 115.700 -0.050 0.000 2.383 29 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 29 S C 2.362 176.672 174.600 -0.483 0.000 1.026 29 S CA 1.757 59.807 58.200 -0.251 0.000 0.981 29 S CB -0.138 63.040 63.200 -0.037 0.000 0.818 29 S HN 0.694 nan 8.310 nan 0.000 0.472 30 T N -1.141 113.229 114.554 -0.307 0.000 3.009 30 T HA 0.304 4.654 4.350 -0.000 0.000 0.258 30 T C 1.522 176.258 174.700 0.060 0.000 1.063 30 T CA 0.400 62.390 62.100 -0.183 0.000 1.139 30 T CB -0.076 68.544 68.868 -0.412 0.000 0.890 30 T HN 0.315 nan 8.240 nan 0.000 0.471 31 I N -0.529 120.083 120.570 0.070 0.000 3.664 31 I HA 0.280 4.450 4.170 -0.000 0.000 0.251 31 I C 2.049 178.270 176.117 0.174 0.000 1.134 31 I CA -0.160 61.261 61.300 0.201 0.000 1.520 31 I CB 0.159 38.186 38.000 0.045 0.000 1.638 31 I HN 0.005 nan 8.210 nan 0.000 0.431 32 L N 1.946 123.150 121.223 -0.032 0.000 2.081 32 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 32 L C 2.394 179.279 176.870 0.026 0.000 1.080 32 L CA 1.881 56.687 54.840 -0.058 0.000 0.754 32 L CB -0.826 41.091 42.059 -0.236 0.000 0.893 32 L HN 0.389 nan 8.230 nan 0.000 0.433 33 K N -1.073 119.295 120.400 -0.052 0.000 2.486 33 K HA -0.029 4.291 4.320 -0.000 0.000 0.194 33 K C 0.484 176.945 176.600 -0.231 0.000 1.033 33 K CA 0.415 56.605 56.287 -0.162 0.000 1.004 33 K CB -0.052 32.272 32.500 -0.294 0.000 0.798 33 K HN 0.323 nan 8.250 nan 0.000 0.495 34 H N 1.284 120.418 119.070 0.105 0.000 2.496 34 H HA 0.146 4.702 4.556 -0.000 0.000 0.342 34 H C 0.279 175.736 175.328 0.215 0.000 1.170 34 H CA -0.312 55.797 56.048 0.102 0.000 1.274 34 H CB 1.621 31.410 29.762 0.046 0.000 1.538 34 H HN 0.211 nan 8.280 nan 0.000 0.542 35 Q N 0.710 120.618 119.800 0.181 0.000 2.319 35 Q HA 0.084 4.424 4.340 -0.000 0.000 0.209 35 Q C -0.362 175.585 176.000 -0.087 0.000 0.884 35 Q CA 0.035 55.932 55.803 0.156 0.000 0.938 35 Q CB 0.410 29.191 28.738 0.071 0.000 1.098 35 Q HN 0.604 nan 8.270 nan 0.000 0.517 36 N N -1.680 116.665 118.700 -0.592 0.000 2.927 36 N HA 0.089 4.829 4.740 -0.000 0.000 0.248 36 N C -0.296 174.242 175.510 -1.621 0.000 1.443 36 N CA -0.681 51.612 53.050 -1.262 0.000 0.870 36 N CB 0.355 38.506 38.487 -0.561 0.000 1.444 36 N HN -0.112 nan 8.380 nan 0.000 0.519 37 L N 0.197 120.566 121.223 -1.423 0.000 2.131 37 L HA 0.249 4.589 4.340 -0.000 0.000 0.210 37 L C 1.957 178.562 176.870 -0.441 0.000 1.092 37 L CA 2.358 56.710 54.840 -0.814 0.000 0.759 37 L CB -0.928 40.939 42.059 -0.320 0.000 0.903 37 L HN 0.922 nan 8.230 nan 0.000 0.435 38 G N -1.349 107.217 108.800 -0.389 0.000 2.422 38 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 38 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 38 G C 1.509 176.397 174.900 -0.021 0.000 1.140 38 G CA 0.522 45.511 45.100 -0.184 0.000 0.775 38 G HN 0.560 nan 8.290 nan 0.000 0.545 39 G N 0.989 109.672 108.800 -0.195 0.000 2.402 39 G HA2 0.098 4.058 3.960 -0.000 0.000 0.216 39 G HA3 0.098 4.058 3.960 -0.000 0.000 0.216 39 G C 2.004 176.556 174.900 -0.579 0.000 1.162 39 G CA 1.443 46.430 45.100 -0.187 0.000 0.777 39 G HN 0.584 nan 8.290 nan 0.000 0.539 40 A N 0.414 122.872 122.820 -0.604 0.000 1.855 40 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 40 A C 2.345 179.850 177.584 -0.133 0.000 1.191 40 A CA 1.540 53.272 52.037 -0.508 0.000 0.613 40 A CB -0.553 18.401 19.000 -0.077 0.000 0.829 40 A HN 0.347 nan 8.150 nan 0.000 0.442 41 L N 0.868 122.087 121.223 -0.007 0.000 2.012 41 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 41 L C 2.918 179.886 176.870 0.163 0.000 1.073 41 L CA 2.741 57.671 54.840 0.150 0.000 0.748 41 L CB -0.644 41.529 42.059 0.190 0.000 0.891 41 L HN 0.562 nan 8.230 nan 0.000 0.431 42 S N -1.745 114.051 115.700 0.160 0.000 2.356 42 S HA -0.306 4.164 4.470 -0.000 0.000 0.223 42 S C 2.173 176.804 174.600 0.052 0.000 1.032 42 S CA 1.345 59.570 58.200 0.041 0.000 1.005 42 S CB -1.299 61.878 63.200 -0.037 0.000 0.867 42 S HN 0.547 nan 8.310 nan 0.000 0.449 43 Y N 2.165 122.416 120.300 -0.082 0.000 2.145 43 Y HA -0.009 4.541 4.550 -0.000 0.000 0.286 43 Y C 2.092 177.993 175.900 0.002 0.000 1.145 43 Y CA 1.526 59.611 58.100 -0.025 0.000 1.148 43 Y CB -0.488 37.968 38.460 -0.008 0.000 0.981 43 Y HN 0.233 nan 8.280 nan 0.000 0.507 44 L N -0.520 120.829 121.223 0.209 0.000 2.017 44 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 44 L C 2.434 179.312 176.870 0.013 0.000 1.073 44 L CA 1.471 56.381 54.840 0.116 0.000 0.745 44 L CB -0.557 41.581 42.059 0.131 0.000 0.894 44 L HN 0.301 nan 8.230 nan 0.000 0.432 45 L N -1.022 120.224 121.223 0.039 0.000 2.109 45 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 45 L C 2.831 179.718 176.870 0.027 0.000 1.086 45 L CA 0.906 55.785 54.840 0.065 0.000 0.760 45 L CB -0.798 41.314 42.059 0.088 0.000 0.910 45 L HN 0.230 nan 8.230 nan 0.000 0.437 46 A N 0.436 123.239 122.820 -0.029 0.000 1.877 46 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 46 A C 2.112 179.644 177.584 -0.087 0.000 1.186 46 A CA 1.878 53.879 52.037 -0.061 0.000 0.620 46 A CB -0.583 18.364 19.000 -0.088 0.000 0.822 46 A HN 0.418 nan 8.150 nan 0.000 0.443 47 N N -0.109 118.498 118.700 -0.156 0.000 2.188 47 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 47 N C 1.504 176.979 175.510 -0.058 0.000 1.018 47 N CA 1.267 54.223 53.050 -0.157 0.000 0.858 47 N CB -0.172 38.157 38.487 -0.263 0.000 0.989 47 N HN 0.472 nan 8.380 nan 0.000 0.426 48 K N 0.628 121.024 120.400 -0.007 0.000 2.228 48 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 48 K C 1.844 178.395 176.600 -0.082 0.000 1.051 48 K CA 0.337 56.640 56.287 0.026 0.000 0.960 48 K CB 0.032 32.656 32.500 0.206 0.000 0.743 48 K HN 0.228 nan 8.250 nan 0.000 0.458 49 L N 1.139 122.326 121.223 -0.060 0.000 2.567 49 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 49 L C 0.950 177.790 176.870 -0.050 0.000 1.119 49 L CA -0.395 54.383 54.840 -0.103 0.000 0.871 49 L CB -0.104 41.937 42.059 -0.031 0.000 1.036 49 L HN -0.046 nan 8.230 nan 0.000 0.459 50 A N 1.526 124.325 122.820 -0.036 0.000 2.520 50 A HA 0.276 4.596 4.320 -0.000 0.000 0.235 50 A C -0.003 177.574 177.584 -0.011 0.000 1.065 50 A CA 0.159 52.187 52.037 -0.015 0.000 0.764 50 A CB -0.098 18.882 19.000 -0.033 0.000 1.002 50 A HN 0.574 nan 8.150 nan 0.000 0.502 51 N N 0.020 118.728 118.700 0.014 0.000 2.732 51 N HA 0.594 5.333 4.740 -0.000 0.000 0.259 51 N C -2.786 172.734 175.510 0.018 0.000 1.402 51 N CA -1.467 51.592 53.050 0.014 0.000 0.829 51 N CB 0.649 39.155 38.487 0.031 0.000 1.495 51 N HN 0.090 nan 8.380 nan 0.000 0.511 52 P HA 0.116 nan 4.420 nan 0.000 0.226 52 P C -0.071 177.236 177.300 0.012 0.000 1.153 52 P CA 0.791 63.896 63.100 0.009 0.000 0.777 52 P CB 0.197 31.901 31.700 0.007 0.000 0.794 56 A N 0.078 122.877 122.820 -0.036 0.000 1.908 56 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 56 A C 1.856 179.412 177.584 -0.048 0.000 1.181 56 A CA 2.030 54.032 52.037 -0.057 0.000 0.627 56 A CB -0.877 18.063 19.000 -0.100 0.000 0.818 56 A HN 0.656 nan 8.150 nan 0.000 0.445 57 I N 0.035 120.585 120.570 -0.034 0.000 2.264 57 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 57 I C 2.185 178.286 176.117 -0.027 0.000 1.111 57 I CA 1.919 63.206 61.300 -0.022 0.000 1.382 57 I CB -0.001 37.993 38.000 -0.011 0.000 1.060 57 I HN 0.340 nan 8.210 nan 0.000 0.418 58 S N 0.898 116.578 115.700 -0.034 0.000 2.395 58 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 58 S C 1.866 176.438 174.600 -0.045 0.000 1.027 58 S CA 0.857 59.031 58.200 -0.043 0.000 0.965 58 S CB -0.305 62.861 63.200 -0.057 0.000 0.812 58 S HN 0.417 nan 8.310 nan 0.000 0.482 59 L N 1.024 122.225 121.223 -0.037 0.000 2.109 59 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 59 L C 2.876 179.714 176.870 -0.053 0.000 1.086 59 L CA 0.959 55.781 54.840 -0.029 0.000 0.760 59 L CB -0.444 41.612 42.059 -0.004 0.000 0.910 59 L HN 0.232 nan 8.230 nan 0.000 0.437 60 R N 0.460 120.926 120.500 -0.055 0.000 2.105 60 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 60 R C 2.124 178.374 176.300 -0.083 0.000 1.135 60 R CA 1.544 57.603 56.100 -0.069 0.000 0.967 60 R CB -0.093 30.189 30.300 -0.031 0.000 0.861 60 R HN 0.400 nan 8.270 nan 0.000 0.442 61 E N 0.193 120.358 120.200 -0.059 0.000 2.268 61 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 61 E C 1.821 178.378 176.600 -0.071 0.000 0.995 61 E CA 0.677 57.044 56.400 -0.056 0.000 0.836 61 E CB 0.100 29.778 29.700 -0.036 0.000 0.763 61 E HN 0.388 nan 8.360 nan 0.000 0.491 62 I N 0.398 120.924 120.570 -0.075 0.000 2.400 62 I HA -0.178 3.991 4.170 -0.000 0.000 0.248 62 I C 2.242 178.282 176.117 -0.128 0.000 1.109 62 I CA 0.570 61.833 61.300 -0.061 0.000 1.425 62 I CB -0.148 37.833 38.000 -0.031 0.000 1.094 62 I HN 0.141 nan 8.210 nan 0.000 0.425 63 I N 0.992 121.439 120.570 -0.205 0.000 2.252 63 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 63 I C 2.342 178.077 176.117 -0.636 0.000 1.102 63 I CA 1.477 62.521 61.300 -0.427 0.000 1.385 63 I CB -0.365 37.369 38.000 -0.443 0.000 1.064 63 I HN 0.232 nan 8.210 nan 0.000 0.414 64 E N 0.833 120.797 120.200 -0.393 0.000 2.150 64 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 64 E C 2.337 178.841 176.600 -0.160 0.000 0.985 64 E CA 1.292 57.532 56.400 -0.266 0.000 0.814 64 E CB -0.131 29.498 29.700 -0.117 0.000 0.752 64 E HN 0.623 nan 8.360 nan 0.000 0.466 65 E N 1.389 121.508 120.200 -0.135 0.000 2.072 65 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 65 E C 2.036 178.550 176.600 -0.144 0.000 0.985 65 E CA 1.184 57.541 56.400 -0.072 0.000 0.801 65 E CB -0.743 28.950 29.700 -0.011 0.000 0.750 65 E HN 0.313 nan 8.360 nan 0.000 0.452 66 A N -0.034 122.614 122.820 -0.286 0.000 1.865 66 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 66 A C 2.290 179.633 177.584 -0.401 0.000 1.191 66 A CA 1.715 53.319 52.037 -0.720 0.000 0.623 66 A CB -0.959 17.678 19.000 -0.604 0.000 0.826 66 A HN 0.686 nan 8.150 nan 0.000 0.444 67 Y N -1.165 118.948 120.300 -0.312 0.000 2.384 67 Y HA -0.254 4.296 4.550 -0.000 0.000 0.289 67 Y C 2.780 178.576 175.900 -0.173 0.000 1.152 67 Y CA 1.166 59.136 58.100 -0.217 0.000 1.258 67 Y CB -0.028 38.340 38.460 -0.153 0.000 0.979 67 Y HN 0.475 nan 8.280 nan 0.000 0.549 68 Q N -0.057 119.743 119.800 0.001 0.000 2.165 68 Q HA -0.067 4.273 4.340 -0.000 0.000 0.197 68 Q C 2.134 178.119 176.000 -0.025 0.000 0.952 68 Q CA 1.262 57.057 55.803 -0.013 0.000 0.848 68 Q CB 0.083 28.815 28.738 -0.010 0.000 0.931 68 Q HN 0.118 nan 8.270 nan 0.000 0.470 69 S N 0.525 116.192 115.700 -0.055 0.000 2.489 69 S HA 0.036 4.506 4.470 -0.000 0.000 0.228 69 S C 0.503 175.110 174.600 0.012 0.000 0.995 69 S CA 0.572 58.786 58.200 0.024 0.000 0.934 69 S CB 0.069 63.385 63.200 0.194 0.000 0.771 69 S HN 0.270 nan 8.310 nan 0.000 0.522 70 N N 0.256 118.906 118.700 -0.084 0.000 2.716 70 N HA 0.273 5.013 4.740 -0.000 0.000 0.245 70 N C -2.807 172.659 175.510 -0.073 0.000 1.495 70 N CA -1.586 51.435 53.050 -0.048 0.000 0.759 70 N CB 0.942 39.412 38.487 -0.029 0.000 1.261 70 N HN -0.140 nan 8.380 nan 0.000 0.515 71 P HA -0.164 nan 4.420 nan 0.000 0.219 71 P C 1.366 178.592 177.300 -0.123 0.000 1.144 71 P CA 1.262 64.302 63.100 -0.100 0.000 0.806 71 P CB 0.293 31.949 31.700 -0.073 0.000 0.771 72 S N -1.354 114.297 115.700 -0.083 0.000 2.447 72 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 72 S C 1.881 176.421 174.600 -0.099 0.000 1.006 72 S CA 0.643 58.795 58.200 -0.081 0.000 0.957 72 S CB -1.465 61.708 63.200 -0.044 0.000 0.773 72 S HN 0.069 nan 8.310 nan 0.000 0.507 73 I N 1.416 121.923 120.570 -0.105 0.000 2.248 73 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 73 I C 2.248 178.249 176.117 -0.194 0.000 1.107 73 I CA 1.550 62.785 61.300 -0.107 0.000 1.373 73 I CB -0.364 37.589 38.000 -0.079 0.000 1.055 73 I HN 0.348 nan 8.210 nan 0.000 0.418 74 I N 0.081 120.458 120.570 -0.321 0.000 2.394 74 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 74 I C 1.926 177.937 176.117 -0.177 0.000 1.136 74 I CA 1.048 62.133 61.300 -0.360 0.000 1.425 74 I CB -0.445 37.286 38.000 -0.449 0.000 1.079 74 I HN 0.228 nan 8.210 nan 0.000 0.425 75 D N 0.533 120.849 120.400 -0.140 0.000 2.117 75 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 75 D C 2.283 178.544 176.300 -0.066 0.000 0.982 75 D CA 1.206 55.151 54.000 -0.092 0.000 0.828 75 D CB -0.264 40.477 40.800 -0.098 0.000 0.967 75 D HN 0.344 nan 8.370 nan 0.000 0.464 76 C N 1.170 120.429 119.300 -0.068 0.000 2.422 76 C HA -0.025 4.435 4.460 -0.000 0.000 0.279 76 C C 2.859 177.880 174.990 0.051 0.000 1.305 76 C CA 0.615 59.624 59.018 -0.015 0.000 1.757 76 C CB -0.959 26.791 27.740 0.017 0.000 1.962 76 C HN 0.343 nan 8.230 nan 0.000 0.499 77 A N 0.809 123.646 122.820 0.029 0.000 1.858 77 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 77 A C 2.417 180.146 177.584 0.241 0.000 1.190 77 A CA 2.122 54.240 52.037 0.135 0.000 0.617 77 A CB -1.080 17.971 19.000 0.086 0.000 0.827 77 A HN 0.563 nan 8.150 nan 0.000 0.443 78 A N -1.114 121.790 122.820 0.139 0.000 1.940 78 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 78 A C 2.296 179.985 177.584 0.175 0.000 1.176 78 A CA 1.787 53.914 52.037 0.149 0.000 0.631 78 A CB -1.340 17.711 19.000 0.084 0.000 0.814 78 A HN 0.610 nan 8.150 nan 0.000 0.446 79 C N -0.582 118.804 119.300 0.143 0.000 2.425 79 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 79 C C 2.332 177.435 174.990 0.187 0.000 1.280 79 C CA 1.162 60.284 59.018 0.173 0.000 1.744 79 C CB -1.121 26.724 27.740 0.175 0.000 1.989 79 C HN 0.602 nan 8.230 nan 0.000 0.491 80 D N 0.530 121.055 120.400 0.207 0.000 2.144 80 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 80 D C 1.956 178.370 176.300 0.191 0.000 0.978 80 D CA 0.915 55.038 54.000 0.205 0.000 0.833 80 D CB -0.328 40.624 40.800 0.254 0.000 0.961 80 D HN 0.457 nan 8.370 nan 0.000 0.470 81 I N 0.708 121.397 120.570 0.198 0.000 2.179 81 I HA -0.280 3.889 4.170 -0.000 0.000 0.242 81 I C 2.594 178.757 176.117 0.076 0.000 1.088 81 I CA 1.070 62.388 61.300 0.031 0.000 1.357 81 I CB -0.146 37.888 38.000 0.058 0.000 1.051 81 I HN 0.014 nan 8.210 nan 0.000 0.409 82 Q N 0.556 120.482 119.800 0.210 0.000 2.096 82 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 82 Q C 2.308 178.318 176.000 0.017 0.000 0.982 82 Q CA 2.027 57.972 55.803 0.238 0.000 0.850 82 Q CB -0.082 28.879 28.738 0.372 0.000 0.901 82 Q HN 0.589 nan 8.270 nan 0.000 0.422 83 A N -0.275 122.518 122.820 -0.043 0.000 1.877 83 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 83 A C 2.205 179.674 177.584 -0.192 0.000 1.186 83 A CA 1.475 53.391 52.037 -0.202 0.000 0.620 83 A CB -0.738 18.198 19.000 -0.106 0.000 0.822 83 A HN 0.285 nan 8.150 nan 0.000 0.443 84 V N 0.002 119.851 119.914 -0.108 0.000 2.295 84 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 84 V C 2.616 178.624 176.094 -0.144 0.000 1.049 84 V CA 2.238 64.474 62.300 -0.107 0.000 1.024 84 V CB -0.805 30.963 31.823 -0.091 0.000 0.648 84 V HN 0.585 nan 8.190 nan 0.000 0.447 85 R N 0.155 120.550 120.500 -0.176 0.000 2.113 85 R HA -0.211 4.129 4.340 -0.000 0.000 0.231 85 R C 2.327 178.535 176.300 -0.153 0.000 1.129 85 R CA 2.314 58.269 56.100 -0.242 0.000 0.915 85 R CB -0.592 29.435 30.300 -0.455 0.000 0.837 85 R HN 0.835 nan 8.270 nan 0.000 0.430 86 H N -0.955 117.992 119.070 -0.205 0.000 2.547 86 H HA 0.131 4.687 4.556 -0.000 0.000 0.266 86 H C 0.965 176.241 175.328 -0.086 0.000 0.988 86 H CA 0.163 56.123 56.048 -0.147 0.000 1.147 86 H CB 0.085 29.771 29.762 -0.127 0.000 1.365 86 H HN 0.165 nan 8.280 nan 0.000 0.589 87 R N 0.597 121.004 120.500 -0.156 0.000 2.334 87 R HA 0.049 4.389 4.340 -0.000 0.000 0.216 87 R C -0.470 175.790 176.300 -0.067 0.000 0.905 87 R CA 0.152 56.185 56.100 -0.111 0.000 1.064 87 R CB 0.517 30.731 30.300 -0.143 0.000 1.046 87 R HN 0.217 nan 8.270 nan 0.000 0.508 88 D N 0.177 120.535 120.400 -0.069 0.000 2.386 88 D HA 0.178 4.818 4.640 -0.000 0.000 0.247 88 D C -2.160 174.109 176.300 -0.052 0.000 1.336 88 D CA -2.229 51.737 54.000 -0.056 0.000 0.976 88 D CB 1.992 42.750 40.800 -0.069 0.000 1.257 88 D HN -0.212 nan 8.370 nan 0.000 0.570 89 P HA -0.048 nan 4.420 nan 0.000 0.223 89 P C 0.959 178.237 177.300 -0.038 0.000 1.144 89 P CA 0.722 63.800 63.100 -0.036 0.000 0.783 89 P CB 0.254 31.941 31.700 -0.022 0.000 0.771 90 A N -0.979 121.823 122.820 -0.030 0.000 2.167 90 A HA 0.068 4.387 4.320 -0.000 0.000 0.214 90 A C 0.966 178.534 177.584 -0.027 0.000 1.151 90 A CA 0.544 52.569 52.037 -0.019 0.000 0.735 90 A CB -0.536 18.463 19.000 -0.002 0.000 0.802 90 A HN 0.082 nan 8.150 nan 0.000 0.467 91 V N 1.684 121.566 119.914 -0.053 0.000 2.350 91 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 91 V C 0.686 176.711 176.094 -0.114 0.000 1.028 91 V CA -0.166 62.093 62.300 -0.069 0.000 0.860 91 V CB 1.018 32.785 31.823 -0.093 0.000 0.990 91 V HN 0.704 nan 8.190 nan 0.000 0.453 92 E N 4.818 124.956 120.200 -0.104 0.000 2.332 92 E HA 0.211 4.561 4.350 -0.000 0.000 0.202 92 E C 0.256 176.733 176.600 -0.204 0.000 0.877 92 E CA -0.115 56.199 56.400 -0.142 0.000 0.979 92 E CB 0.578 30.232 29.700 -0.076 0.000 0.969 92 E HN 0.479 nan 8.360 nan 0.000 0.495 93 L N 1.276 122.426 121.223 -0.122 0.000 2.326 93 L HA 0.176 4.516 4.340 -0.000 0.000 0.278 93 L C 0.531 177.342 176.870 -0.099 0.000 1.092 93 L CA -0.794 54.001 54.840 -0.075 0.000 0.810 93 L CB 0.646 42.715 42.059 0.016 0.000 1.153 93 L HN 0.110 nan 8.230 nan 0.000 0.439 94 W N 0.314 121.571 121.300 -0.072 0.000 2.425 94 W HA -0.159 4.501 4.660 -0.000 0.000 0.277 94 W C 2.641 179.096 176.519 -0.106 0.000 1.231 94 W CA 0.950 58.242 57.345 -0.088 0.000 1.248 94 W CB -0.458 28.956 29.460 -0.075 0.000 1.117 94 W HN 0.726 nan 8.180 nan 0.000 0.568 95 S N -1.387 114.386 115.700 0.123 0.000 2.428 95 S HA -0.144 4.326 4.470 -0.000 0.000 0.230 95 S C 1.642 176.193 174.600 -0.081 0.000 1.014 95 S CA 1.515 59.726 58.200 0.018 0.000 0.957 95 S CB -0.987 62.212 63.200 -0.001 0.000 0.784 95 S HN 0.172 nan 8.310 nan 0.000 0.499 96 T N 3.793 118.315 114.554 -0.053 0.000 2.665 96 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 96 T C -0.627 173.999 174.700 -0.124 0.000 1.035 96 T CA 1.891 63.965 62.100 -0.044 0.000 1.151 96 T CB -1.390 67.533 68.868 0.091 0.000 0.862 96 T HN 0.425 nan 8.240 nan 0.000 0.438 97 P HA -0.008 nan 4.420 nan 0.000 0.216 97 P C 1.639 178.561 177.300 -0.630 0.000 1.153 97 P CA 0.532 63.376 63.100 -0.427 0.000 0.848 97 P CB -0.149 31.212 31.700 -0.565 0.000 0.787 98 L N -0.896 119.991 121.223 -0.561 0.000 2.017 98 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 98 L C 2.050 179.036 176.870 0.193 0.000 1.073 98 L CA 1.962 56.675 54.840 -0.211 0.000 0.745 98 L CB -1.260 40.776 42.059 -0.039 0.000 0.894 98 L HN -0.124 nan 8.230 nan 0.000 0.432 99 L N -2.557 118.653 121.223 -0.022 0.000 2.270 99 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 99 L C 1.627 178.578 176.870 0.135 0.000 1.104 99 L CA 0.891 55.717 54.840 -0.024 0.000 0.804 99 L CB -0.288 41.491 42.059 -0.468 0.000 0.937 99 L HN 0.292 nan 8.230 nan 0.000 0.450 100 Y N -1.779 118.694 120.300 0.289 0.000 2.585 100 Y HA 0.279 4.829 4.550 -0.000 0.000 0.272 100 Y C 0.822 176.795 175.900 0.120 0.000 1.119 100 Y CA -0.831 57.408 58.100 0.233 0.000 1.255 100 Y CB 0.560 39.102 38.460 0.137 0.000 1.284 100 Y HN -0.180 nan 8.280 nan 0.000 0.499 101 L N 4.339 125.601 121.223 0.065 0.000 2.433 101 L HA 0.094 4.434 4.340 -0.000 0.000 0.284 101 L C 1.474 178.177 176.870 -0.277 0.000 1.120 101 L CA -0.022 54.784 54.840 -0.056 0.000 0.879 101 L CB 0.638 42.675 42.059 -0.036 0.000 1.232 101 L HN 0.327 nan 8.230 nan 0.000 0.454 102 K N 2.150 122.517 120.400 -0.054 0.000 2.286 102 K HA -0.162 4.158 4.320 -0.000 0.000 0.203 102 K C 1.600 178.085 176.600 -0.193 0.000 1.045 102 K CA 1.509 57.739 56.287 -0.095 0.000 0.935 102 K CB -0.150 32.469 32.500 0.198 0.000 0.737 102 K HN 0.672 nan 8.250 nan 0.000 0.460 103 G N 1.016 109.790 108.800 -0.044 0.000 2.404 103 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 103 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 103 G C 1.238 176.090 174.900 -0.079 0.000 1.174 103 G CA 0.527 45.662 45.100 0.058 0.000 0.780 103 G HN 0.393 nan 8.290 nan 0.000 0.537 104 F N 1.617 121.419 119.950 -0.247 0.000 2.095 104 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 104 F C 2.604 178.263 175.800 -0.235 0.000 1.104 104 F CA 2.170 60.015 58.000 -0.259 0.000 1.232 104 F CB -0.603 38.220 39.000 -0.294 0.000 0.987 104 F HN 0.352 nan 8.300 nan 0.000 0.475 105 H N -0.630 118.227 119.070 -0.356 0.000 2.321 105 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 105 H C 2.411 177.411 175.328 -0.547 0.000 1.087 105 H CA 0.907 56.615 56.048 -0.566 0.000 1.319 105 H CB -0.450 28.788 29.762 -0.872 0.000 1.379 105 H HN 0.372 nan 8.280 nan 0.000 0.501 106 A N 0.995 123.568 122.820 -0.412 0.000 1.902 106 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 106 A C 2.365 179.947 177.584 -0.004 0.000 1.181 106 A CA 1.434 53.466 52.037 -0.009 0.000 0.623 106 A CB -0.679 18.420 19.000 0.165 0.000 0.818 106 A HN 0.330 nan 8.150 nan 0.000 0.443 107 I N -0.359 120.090 120.570 -0.201 0.000 2.179 107 I HA -0.264 3.905 4.170 -0.000 0.000 0.242 107 I C 2.554 178.609 176.117 -0.103 0.000 1.088 107 I CA 1.234 62.389 61.300 -0.243 0.000 1.357 107 I CB -0.319 37.382 38.000 -0.498 0.000 1.051 107 I HN 0.320 nan 8.210 nan 0.000 0.409 108 Q N 0.210 119.840 119.800 -0.283 0.000 2.167 108 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 108 Q C 2.360 178.355 176.000 -0.009 0.000 0.970 108 Q CA 1.320 57.013 55.803 -0.183 0.000 0.855 108 Q CB -0.675 27.867 28.738 -0.328 0.000 0.911 108 Q HN 0.401 nan 8.270 nan 0.000 0.438 109 S N 0.755 116.477 115.700 0.035 0.000 2.383 109 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 109 S C 1.730 176.391 174.600 0.101 0.000 1.026 109 S CA 1.117 59.386 58.200 0.115 0.000 0.981 109 S CB -0.395 62.946 63.200 0.236 0.000 0.818 109 S HN 0.576 nan 8.310 nan 0.000 0.472 110 Y N 2.566 122.887 120.300 0.036 0.000 2.224 110 Y HA -0.051 4.499 4.550 -0.000 0.000 0.289 110 Y C 2.103 178.051 175.900 0.080 0.000 1.146 110 Y CA 1.236 59.361 58.100 0.041 0.000 1.182 110 Y CB -0.305 38.152 38.460 -0.006 0.000 0.983 110 Y HN 0.030 nan 8.280 nan 0.000 0.524 111 R N 0.418 120.722 120.500 -0.328 0.000 2.105 111 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 111 R C 2.199 178.417 176.300 -0.137 0.000 1.135 111 R CA 2.053 57.949 56.100 -0.340 0.000 0.967 111 R CB -0.519 29.755 30.300 -0.042 0.000 0.861 111 R HN 0.457 nan 8.270 nan 0.000 0.442 112 I N 0.413 120.964 120.570 -0.031 0.000 2.252 112 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 112 I C 2.761 178.938 176.117 0.100 0.000 1.102 112 I CA 1.699 63.037 61.300 0.064 0.000 1.385 112 I CB -0.633 37.389 38.000 0.037 0.000 1.064 112 I HN 0.311 nan 8.210 nan 0.000 0.414 113 T N -1.978 112.579 114.554 0.005 0.000 2.788 113 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 113 T C 1.938 176.673 174.700 0.057 0.000 1.044 113 T CA 1.725 63.851 62.100 0.043 0.000 1.139 113 T CB -0.574 68.311 68.868 0.029 0.000 0.867 113 T HN 0.382 nan 8.240 nan 0.000 0.454 114 H N 0.263 119.185 119.070 -0.246 0.000 2.321 114 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 114 H C 1.980 177.349 175.328 0.068 0.000 1.087 114 H CA 2.001 57.956 56.048 -0.156 0.000 1.319 114 H CB -0.884 28.608 29.762 -0.451 0.000 1.379 114 H HN 0.619 nan 8.280 nan 0.000 0.501 115 Y N 0.299 120.541 120.300 -0.096 0.000 2.224 115 Y HA -0.161 4.389 4.550 -0.000 0.000 0.289 115 Y C 2.029 177.902 175.900 -0.046 0.000 1.146 115 Y CA 1.602 59.651 58.100 -0.085 0.000 1.182 115 Y CB -0.478 37.968 38.460 -0.024 0.000 0.983 115 Y HN 0.222 nan 8.280 nan 0.000 0.524 116 L N -0.724 120.448 121.223 -0.086 0.000 2.141 116 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 116 L C 2.581 179.384 176.870 -0.112 0.000 1.094 116 L CA 1.146 55.886 54.840 -0.167 0.000 0.763 116 L CB -0.716 41.373 42.059 0.050 0.000 0.908 116 L HN 0.538 nan 8.230 nan 0.000 0.437 117 W N 1.243 122.430 121.300 -0.188 0.000 2.381 117 W HA -0.173 4.487 4.660 -0.000 0.000 0.301 117 W C 1.856 178.262 176.519 -0.188 0.000 1.205 117 W CA 1.263 58.526 57.345 -0.137 0.000 1.285 117 W CB -0.099 29.325 29.460 -0.060 0.000 1.133 117 W HN 0.244 nan 8.180 nan 0.000 0.521 118 N N 0.342 118.967 118.700 -0.125 0.000 2.515 118 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 118 N C 1.304 176.654 175.510 -0.268 0.000 1.109 118 N CA 0.895 53.828 53.050 -0.196 0.000 0.903 118 N CB -0.307 38.062 38.487 -0.197 0.000 0.969 118 N HN 0.398 nan 8.380 nan 0.000 0.450 119 Q N 0.162 119.748 119.800 -0.357 0.000 2.280 119 Q HA 0.083 4.423 4.340 -0.000 0.000 0.201 119 Q C -0.189 175.646 176.000 -0.276 0.000 0.890 119 Q CA -0.160 55.434 55.803 -0.347 0.000 0.947 119 Q CB -0.002 28.433 28.738 -0.505 0.000 1.081 119 Q HN 0.184 nan 8.270 nan 0.000 0.502 120 N N 1.641 120.151 118.700 -0.317 0.000 2.714 120 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 120 N C -1.108 174.236 175.510 -0.275 0.000 1.117 120 N CA 0.618 53.465 53.050 -0.339 0.000 0.719 120 N CB -0.736 37.599 38.487 -0.253 0.000 1.081 120 N HN 0.242 nan 8.380 nan 0.000 0.557 121 R N 0.559 120.914 120.500 -0.241 0.000 2.937 121 R HA 0.207 4.546 4.340 -0.000 0.000 0.264 121 R C 0.944 177.183 176.300 -0.102 0.000 1.334 121 R CA -0.482 55.529 56.100 -0.149 0.000 1.516 121 R CB 0.507 30.735 30.300 -0.120 0.000 1.187 121 R HN 0.268 nan 8.270 nan 0.000 0.609 122 K N 0.287 120.596 120.400 -0.151 0.000 2.167 122 K HA -0.072 4.247 4.320 -0.000 0.000 0.203 122 K C 1.874 178.517 176.600 0.072 0.000 1.052 122 K CA 1.355 57.604 56.287 -0.063 0.000 0.956 122 K CB 0.229 32.566 32.500 -0.270 0.000 0.735 122 K HN 0.309 nan 8.250 nan 0.000 0.451 123 S N 1.699 117.417 115.700 0.029 0.000 2.382 123 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 123 S C 2.012 176.678 174.600 0.110 0.000 1.027 123 S CA 0.788 59.029 58.200 0.068 0.000 0.991 123 S CB -0.373 62.845 63.200 0.030 0.000 0.823 123 S HN 0.089 nan 8.310 nan 0.000 0.469 124 L N 2.159 123.431 121.223 0.081 0.000 2.027 124 L HA 0.249 4.589 4.340 -0.000 0.000 0.206 124 L C 2.791 179.763 176.870 0.170 0.000 1.074 124 L CA 1.551 56.458 54.840 0.113 0.000 0.745 124 L CB -1.476 40.615 42.059 0.054 0.000 0.898 124 L HN 0.366 nan 8.230 nan 0.000 0.433 125 A N -0.823 122.092 122.820 0.157 0.000 1.933 125 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 125 A C 2.276 179.949 177.584 0.148 0.000 1.175 125 A CA 1.841 53.986 52.037 0.180 0.000 0.628 125 A CB -0.795 18.389 19.000 0.306 0.000 0.814 125 A HN 0.462 nan 8.150 nan 0.000 0.444 126 L N -2.158 119.166 121.223 0.170 0.000 2.093 126 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 126 L C 2.576 179.486 176.870 0.067 0.000 1.085 126 L CA 1.655 56.558 54.840 0.105 0.000 0.755 126 L CB -0.592 41.551 42.059 0.139 0.000 0.904 126 L HN 0.629 nan 8.230 nan 0.000 0.435 127 Y N 0.813 121.134 120.300 0.035 0.000 2.114 127 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 127 Y C 2.335 178.243 175.900 0.014 0.000 1.143 127 Y CA 1.589 59.700 58.100 0.019 0.000 1.135 127 Y CB -0.194 38.274 38.460 0.013 0.000 0.980 127 Y HN -0.026 nan 8.280 nan 0.000 0.499 128 L N 0.304 121.554 121.223 0.045 0.000 2.093 128 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 128 L C 2.716 179.546 176.870 -0.067 0.000 1.085 128 L CA 1.731 56.562 54.840 -0.016 0.000 0.755 128 L CB -0.778 41.351 42.059 0.116 0.000 0.904 128 L HN 0.353 nan 8.230 nan 0.000 0.435 129 Q N 0.618 120.398 119.800 -0.033 0.000 2.045 129 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 129 Q C 1.794 177.755 176.000 -0.065 0.000 0.991 129 Q CA 2.063 57.847 55.803 -0.031 0.000 0.851 129 Q CB -0.066 28.630 28.738 -0.070 0.000 0.911 129 Q HN 0.561 nan 8.270 nan 0.000 0.418 130 N N -0.250 118.373 118.700 -0.128 0.000 2.409 130 N HA -0.127 4.613 4.740 -0.000 0.000 0.179 130 N C 1.669 177.053 175.510 -0.211 0.000 1.032 130 N CA 0.748 53.710 53.050 -0.147 0.000 0.898 130 N CB 0.033 38.436 38.487 -0.139 0.000 0.971 130 N HN 0.265 nan 8.380 nan 0.000 0.441 131 Q N 1.415 121.027 119.800 -0.314 0.000 2.137 131 Q HA 0.139 4.479 4.340 -0.000 0.000 0.198 131 Q C 1.937 177.797 176.000 -0.234 0.000 0.960 131 Q CA 0.770 56.383 55.803 -0.317 0.000 0.847 131 Q CB -0.184 28.320 28.738 -0.390 0.000 0.915 131 Q HN 0.339 nan 8.270 nan 0.000 0.448 132 I N -0.319 120.169 120.570 -0.137 0.000 2.286 132 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 132 I C 2.307 178.409 176.117 -0.025 0.000 1.115 132 I CA 1.287 62.567 61.300 -0.033 0.000 1.392 132 I CB -0.341 37.754 38.000 0.157 0.000 1.065 132 I HN 0.178 nan 8.210 nan 0.000 0.418 133 S N 0.204 115.883 115.700 -0.036 0.000 2.368 133 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 133 S C 2.064 176.629 174.600 -0.058 0.000 1.029 133 S CA 1.140 59.330 58.200 -0.015 0.000 0.988 133 S CB -0.104 63.081 63.200 -0.026 0.000 0.838 133 S HN 0.220 nan 8.310 nan 0.000 0.462 134 V N 1.822 121.665 119.914 -0.118 0.000 2.307 134 V HA -0.071 4.048 4.120 -0.000 0.000 0.245 134 V C 2.786 178.778 176.094 -0.171 0.000 1.045 134 V CA 1.749 63.975 62.300 -0.124 0.000 1.024 134 V CB -1.184 30.558 31.823 -0.135 0.000 0.651 134 V HN 0.582 nan 8.190 nan 0.000 0.449 135 A N -0.635 121.986 122.820 -0.331 0.000 1.872 135 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 135 A C 1.839 179.166 177.584 -0.428 0.000 1.187 135 A CA 1.720 53.427 52.037 -0.550 0.000 0.614 135 A CB -0.457 17.886 19.000 -1.095 0.000 0.826 135 A HN 0.573 nan 8.150 nan 0.000 0.442 136 F N -1.816 118.172 119.950 0.064 0.000 2.682 136 F HA 0.239 4.766 4.527 -0.000 0.000 0.308 136 F C 0.515 176.357 175.800 0.071 0.000 1.093 136 F CA 0.032 58.088 58.000 0.092 0.000 1.244 136 F CB 0.591 39.670 39.000 0.131 0.000 1.052 136 F HN 0.136 nan 8.300 nan 0.000 0.573 137 D N 1.679 122.173 120.400 0.157 0.000 2.870 137 D HA -0.156 4.484 4.640 -0.000 0.000 0.228 137 D C -0.874 175.490 176.300 0.106 0.000 1.147 137 D CA 0.361 54.419 54.000 0.098 0.000 0.757 137 D CB -0.970 39.881 40.800 0.085 0.000 1.091 137 D HN 0.053 nan 8.370 nan 0.000 0.429 138 V N 1.072 121.076 119.914 0.150 0.000 2.531 138 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 138 V C -0.037 176.122 176.094 0.108 0.000 1.034 138 V CA -0.805 61.575 62.300 0.134 0.000 0.865 138 V CB 2.052 34.012 31.823 0.228 0.000 0.995 138 V HN 0.059 nan 8.190 nan 0.000 0.424 139 D N 5.137 125.568 120.400 0.052 0.000 2.461 139 D HA 0.464 5.104 4.640 -0.000 0.000 0.240 139 D C -0.778 175.539 176.300 0.028 0.000 1.094 139 D CA -0.154 53.868 54.000 0.035 0.000 0.868 139 D CB 0.977 41.781 40.800 0.007 0.000 1.062 139 D HN 0.431 nan 8.370 nan 0.000 0.530 140 I N 3.282 123.889 120.570 0.062 0.000 2.355 140 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 140 I C 0.186 176.346 176.117 0.073 0.000 0.999 140 I CA -1.034 60.295 61.300 0.047 0.000 1.163 140 I CB 1.392 39.416 38.000 0.039 0.000 1.316 140 I HN 0.343 nan 8.210 nan 0.000 0.454 141 H N 8.543 127.584 119.070 -0.048 0.000 2.886 141 H HA 0.086 4.642 4.556 -0.000 0.000 0.329 141 H C -1.770 173.525 175.328 -0.056 0.000 1.044 141 H CA -0.667 55.326 56.048 -0.091 0.000 1.456 141 H CB 1.137 30.805 29.762 -0.158 0.000 1.464 141 H HN 0.325 nan 8.280 nan 0.000 0.573 142 P HA -0.199 nan 4.420 nan 0.000 0.218 142 P C 0.578 177.798 177.300 -0.133 0.000 1.146 142 P CA 1.926 64.901 63.100 -0.207 0.000 0.813 142 P CB 0.152 31.673 31.700 -0.298 0.000 0.778 143 A N -0.971 121.646 122.820 -0.338 0.000 2.169 143 A HA 0.342 4.662 4.320 -0.000 0.000 0.212 143 A C 1.269 178.902 177.584 0.081 0.000 1.153 143 A CA 0.372 52.266 52.037 -0.239 0.000 0.756 143 A CB -1.061 17.704 19.000 -0.392 0.000 0.813 143 A HN 0.236 nan 8.150 nan 0.000 0.471 144 A N 0.326 123.201 122.820 0.092 0.000 2.507 144 A HA 0.381 4.701 4.320 -0.000 0.000 0.235 144 A C 0.117 177.663 177.584 -0.064 0.000 1.070 144 A CA 0.249 52.288 52.037 0.003 0.000 0.768 144 A CB -0.021 18.925 19.000 -0.090 0.000 1.011 144 A HN 0.424 nan 8.150 nan 0.000 0.502 145 K N 1.314 121.665 120.400 -0.082 0.000 2.367 145 K HA 0.577 4.896 4.320 -0.000 0.000 0.263 145 K C -1.242 175.295 176.600 -0.105 0.000 1.000 145 K CA 0.294 56.522 56.287 -0.098 0.000 0.891 145 K CB 1.349 33.854 32.500 0.009 0.000 1.117 145 K HN 0.578 nan 8.250 nan 0.000 0.443 146 I N 1.859 122.364 120.570 -0.108 0.000 2.465 146 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 146 I C 0.812 176.921 176.117 -0.013 0.000 1.014 146 I CA -0.840 60.388 61.300 -0.121 0.000 1.093 146 I CB 2.040 39.836 38.000 -0.339 0.000 1.267 146 I HN 0.685 nan 8.210 nan 0.000 0.431 147 G N 4.303 113.078 108.800 -0.040 0.000 2.624 147 G HA2 0.298 4.258 3.960 -0.000 0.000 0.217 147 G HA3 0.298 4.258 3.960 -0.000 0.000 0.217 147 G C -0.313 174.601 174.900 0.024 0.000 1.506 147 G CA -0.109 44.991 45.100 0.000 0.000 1.072 147 G HN 0.738 nan 8.290 nan 0.000 0.568 148 H N -3.164 115.896 119.070 -0.017 0.000 2.812 148 H HA 0.511 5.067 4.556 -0.000 0.000 0.355 148 H C 0.594 175.910 175.328 -0.020 0.000 1.207 148 H CA -0.580 55.459 56.048 -0.015 0.000 1.217 148 H CB 1.061 30.831 29.762 0.013 0.000 1.874 148 H HN 1.556 nan 8.280 nan 0.000 0.581 149 G N 0.711 109.547 108.800 0.060 0.000 2.182 149 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 149 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 149 G C -0.108 174.754 174.900 -0.064 0.000 1.042 149 G CA 0.272 45.370 45.100 -0.003 0.000 0.775 149 G HN 0.484 nan 8.290 nan 0.000 0.501 153 D N 3.359 123.771 120.400 0.019 0.000 2.371 153 D HA 0.142 4.782 4.640 -0.000 0.000 0.256 153 D C 0.927 177.122 176.300 -0.176 0.000 1.193 153 D CA 1.714 55.600 54.000 -0.189 0.000 0.881 153 D CB 0.366 40.996 40.800 -0.283 0.000 1.143 153 D HN 0.587 nan 8.370 nan 0.000 0.473 154 H N 3.366 122.458 119.070 0.038 0.000 4.919 154 H HA -0.382 4.174 4.556 -0.000 0.000 0.068 154 H C 1.483 176.832 175.328 0.036 0.000 0.578 154 H CA 2.357 58.423 56.048 0.029 0.000 1.013 154 H CB -1.625 28.142 29.762 0.009 0.000 0.454 154 H HN 0.627 nan 8.280 nan 0.000 0.774 155 A N -0.752 122.138 122.820 0.116 0.000 4.219 155 A HA -0.311 4.008 4.320 -0.000 0.000 0.252 155 A C 1.129 178.733 177.584 0.033 0.000 0.737 155 A CA 2.433 54.501 52.037 0.052 0.000 1.245 155 A CB -2.457 16.619 19.000 0.126 0.000 1.105 155 A HN 0.802 nan 8.150 nan 0.000 0.713 156 T N 0.349 114.943 114.554 0.066 0.000 2.849 156 T HA 0.433 4.783 4.350 -0.000 0.000 0.289 156 T C 1.773 176.475 174.700 0.003 0.000 1.010 156 T CA 1.858 63.986 62.100 0.047 0.000 1.161 156 T CB 0.370 69.265 68.868 0.045 0.000 0.989 156 T HN 2.331 nan 8.240 nan 0.000 0.523 157 G N 3.210 112.009 108.800 -0.002 0.000 2.148 157 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 157 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 157 G C 0.226 175.086 174.900 -0.067 0.000 0.981 157 G CA -0.322 44.761 45.100 -0.029 0.000 0.670 157 G HN 0.757 nan 8.290 nan 0.000 0.528 158 I N 0.836 121.348 120.570 -0.097 0.000 2.496 158 I HA 0.388 4.558 4.170 -0.000 0.000 0.285 158 I C 0.408 176.452 176.117 -0.122 0.000 1.080 158 I CA -0.381 60.809 61.300 -0.183 0.000 1.404 158 I CB 1.350 39.123 38.000 -0.378 0.000 1.403 158 I HN -0.105 nan 8.210 nan 0.000 0.539 159 V N 7.327 127.162 119.914 -0.132 0.000 2.588 159 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 159 V C -0.293 175.720 176.094 -0.134 0.000 1.042 159 V CA -0.641 61.599 62.300 -0.101 0.000 0.877 159 V CB 2.291 34.062 31.823 -0.087 0.000 0.996 159 V HN 0.386 nan 8.190 nan 0.000 0.425 160 V N 3.245 123.088 119.914 -0.118 0.000 2.483 160 V HA 0.663 4.783 4.120 -0.000 0.000 0.297 160 V C 0.726 176.701 176.094 -0.199 0.000 1.027 160 V CA -0.418 61.791 62.300 -0.151 0.000 0.855 160 V CB 1.863 33.620 31.823 -0.110 0.000 0.995 160 V HN 0.987 nan 8.190 nan 0.000 0.424 161 G N 2.022 110.587 108.800 -0.393 0.000 2.594 161 G HA2 0.228 4.187 3.960 -0.000 0.000 0.243 161 G HA3 0.228 4.187 3.960 -0.000 0.000 0.243 161 G C 0.750 175.438 174.900 -0.353 0.000 1.229 161 G CA 0.300 44.929 45.100 -0.784 0.000 0.843 161 G HN 0.945 nan 8.290 nan 0.000 0.578 162 E N -0.462 119.581 120.200 -0.262 0.000 2.114 162 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 162 E C 2.008 178.606 176.600 -0.003 0.000 1.008 162 E CA 1.906 58.106 56.400 -0.333 0.000 0.810 162 E CB -0.089 29.226 29.700 -0.642 0.000 0.739 162 E HN 0.517 nan 8.360 nan 0.000 0.456 163 T N -1.268 113.472 114.554 0.311 0.000 3.223 163 T HA 0.264 4.614 4.350 -0.000 0.000 0.259 163 T C 0.164 174.939 174.700 0.126 0.000 1.015 163 T CA -0.360 61.819 62.100 0.131 0.000 0.908 163 T CB 0.441 69.295 68.868 -0.024 0.000 1.054 163 T HN -0.070 nan 8.240 nan 0.000 0.567 164 S N 1.064 116.826 115.700 0.104 0.000 2.592 164 S HA 0.565 5.035 4.470 -0.000 0.000 0.271 164 S C -0.116 174.478 174.600 -0.011 0.000 1.326 164 S CA -0.688 57.530 58.200 0.030 0.000 1.024 164 S CB 1.419 64.590 63.200 -0.048 0.000 0.921 164 S HN 0.326 nan 8.310 nan 0.000 0.527 165 V N 2.700 122.601 119.914 -0.022 0.000 2.638 165 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 165 V C -0.691 175.369 176.094 -0.057 0.000 1.052 165 V CA -0.515 61.763 62.300 -0.037 0.000 0.885 165 V CB 1.570 33.383 31.823 -0.018 0.000 0.999 165 V HN 0.782 nan 8.190 nan 0.000 0.424 166 I N 4.053 124.577 120.570 -0.077 0.000 2.466 166 I HA 0.386 4.556 4.170 -0.000 0.000 0.279 166 I C 0.494 176.554 176.117 -0.094 0.000 1.033 166 I CA -0.322 60.928 61.300 -0.083 0.000 1.123 166 I CB 1.425 39.376 38.000 -0.082 0.000 1.237 166 I HN 0.663 nan 8.210 nan 0.000 0.460 167 E N 4.043 124.181 120.200 -0.103 0.000 2.605 167 E HA 0.175 4.525 4.350 -0.000 0.000 0.255 167 E C -0.192 176.312 176.600 -0.159 0.000 1.369 167 E CA -0.718 55.612 56.400 -0.117 0.000 1.017 167 E CB 0.560 30.190 29.700 -0.117 0.000 1.086 167 E HN 0.411 nan 8.360 nan 0.000 0.605 168 N N 1.908 120.486 118.700 -0.202 0.000 2.395 168 N HA -0.056 4.684 4.740 -0.000 0.000 0.246 168 N C -0.463 174.914 175.510 -0.221 0.000 1.246 168 N CA 0.500 53.379 53.050 -0.284 0.000 0.879 168 N CB 0.093 38.346 38.487 -0.389 0.000 1.098 168 N HN 0.401 nan 8.380 nan 0.000 0.444 169 D N -1.486 118.797 120.400 -0.196 0.000 2.945 169 D HA -0.150 4.490 4.640 -0.000 0.000 0.225 169 D C -0.605 175.617 176.300 -0.131 0.000 1.158 169 D CA 0.547 54.465 54.000 -0.136 0.000 0.805 169 D CB -1.430 39.316 40.800 -0.091 0.000 1.098 169 D HN 0.154 nan 8.370 nan 0.000 0.426 170 V N 0.188 120.026 119.914 -0.127 0.000 2.732 170 V HA 0.425 4.545 4.120 -0.000 0.000 0.297 170 V C 0.833 176.908 176.094 -0.033 0.000 1.060 170 V CA -0.053 62.189 62.300 -0.098 0.000 1.038 170 V CB 1.986 33.757 31.823 -0.086 0.000 1.003 170 V HN 0.112 nan 8.190 nan 0.000 0.481 171 S N 4.704 120.390 115.700 -0.023 0.000 2.561 171 S HA 0.675 5.144 4.470 -0.000 0.000 0.303 171 S C -0.664 173.937 174.600 0.001 0.000 1.110 171 S CA -0.408 57.798 58.200 0.011 0.000 1.034 171 S CB 1.031 64.220 63.200 -0.019 0.000 1.010 171 S HN 0.475 nan 8.310 nan 0.000 0.482 172 I N 3.649 124.233 120.570 0.023 0.000 2.465 172 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 172 I C -0.545 175.490 176.117 -0.137 0.000 1.014 172 I CA -0.659 60.573 61.300 -0.114 0.000 1.093 172 I CB 1.629 39.443 38.000 -0.309 0.000 1.267 172 I HN 0.360 nan 8.210 nan 0.000 0.431 173 L N 4.116 125.268 121.223 -0.119 0.000 2.397 173 L HA 0.329 4.669 4.340 -0.000 0.000 0.266 173 L C 0.388 177.205 176.870 -0.088 0.000 1.040 173 L CA -0.891 53.908 54.840 -0.068 0.000 0.800 173 L CB 0.886 42.940 42.059 -0.009 0.000 1.324 173 L HN 0.587 nan 8.230 nan 0.000 0.469 174 Q N 0.684 120.481 119.800 -0.006 0.000 2.369 174 Q HA 0.013 4.353 4.340 -0.000 0.000 0.295 174 Q C 0.694 176.664 176.000 -0.049 0.000 1.075 174 Q CA 0.621 56.416 55.803 -0.013 0.000 0.941 174 Q CB -0.172 28.587 28.738 0.036 0.000 1.260 174 Q HN 0.849 nan 8.270 nan 0.000 0.417 175 G N 0.800 109.563 108.800 -0.061 0.000 2.175 175 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.265 175 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.265 175 G C 0.190 175.041 174.900 -0.082 0.000 0.979 175 G CA 0.437 45.499 45.100 -0.062 0.000 0.663 175 G HN 1.302 nan 8.290 nan 0.000 0.533 176 V N -0.913 118.929 119.914 -0.119 0.000 2.607 176 V HA 0.847 4.967 4.120 -0.000 0.000 0.289 176 V C 0.241 176.253 176.094 -0.137 0.000 1.053 176 V CA 0.343 62.568 62.300 -0.124 0.000 0.996 176 V CB 1.779 33.517 31.823 -0.142 0.000 0.995 176 V HN 0.326 nan 8.190 nan 0.000 0.476 177 T N 7.326 121.815 114.554 -0.109 0.000 2.823 177 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 177 T C -0.279 174.356 174.700 -0.108 0.000 0.998 177 T CA -0.351 61.684 62.100 -0.108 0.000 0.994 177 T CB 1.140 69.959 68.868 -0.081 0.000 0.960 177 T HN 0.683 nan 8.240 nan 0.000 0.448 178 L N 3.614 124.759 121.223 -0.130 0.000 2.371 178 L HA 0.575 4.915 4.340 -0.000 0.000 0.262 178 L C 0.775 177.546 176.870 -0.164 0.000 1.054 178 L CA -0.503 54.265 54.840 -0.120 0.000 0.924 178 L CB 0.402 42.385 42.059 -0.126 0.000 1.295 178 L HN 0.789 nan 8.230 nan 0.000 0.441 179 G N 1.000 109.745 108.800 -0.092 0.000 3.217 179 G HA2 0.748 4.708 3.960 -0.000 0.000 0.213 179 G HA3 0.748 4.708 3.960 -0.000 0.000 0.213 179 G C -0.555 174.445 174.900 0.167 0.000 1.294 179 G CA -0.384 44.674 45.100 -0.069 0.000 0.987 179 G HN 0.444 nan 8.290 nan 0.000 0.584 180 G N -2.057 106.864 108.800 0.201 0.000 2.597 180 G HA2 0.468 4.427 3.960 -0.000 0.000 0.317 180 G HA3 0.468 4.427 3.960 -0.000 0.000 0.317 180 G C 0.723 175.659 174.900 0.060 0.000 1.230 180 G CA 0.651 45.849 45.100 0.164 0.000 0.996 180 G HN 1.000 nan 8.290 nan 0.000 0.490 181 T N -3.851 110.719 114.554 0.027 0.000 3.044 181 T HA 0.414 4.764 4.350 -0.000 0.000 0.250 181 T C 1.484 176.188 174.700 0.007 0.000 1.081 181 T CA 1.093 63.200 62.100 0.011 0.000 1.040 181 T CB 0.507 69.376 68.868 0.002 0.000 0.962 181 T HN 1.996 nan 8.240 nan 0.000 0.506 182 G N 0.189 108.992 108.800 0.006 0.000 2.370 182 G HA2 0.191 4.151 3.960 -0.000 0.000 0.174 182 G HA3 0.191 4.151 3.960 -0.000 0.000 0.174 182 G C 0.228 175.123 174.900 -0.009 0.000 1.002 182 G CA -0.071 45.030 45.100 0.002 0.000 0.730 182 G HN 0.857 nan 8.290 nan 0.000 0.497 183 K N 0.718 121.104 120.400 -0.022 0.000 2.412 183 K HA 0.689 5.009 4.320 -0.000 0.000 0.284 183 K C 1.096 177.674 176.600 -0.037 0.000 1.046 183 K CA 1.410 57.677 56.287 -0.033 0.000 0.999 183 K CB -0.245 32.223 32.500 -0.052 0.000 0.941 183 K HN 1.324 nan 8.250 nan 0.000 0.474 184 E N 0.764 120.950 120.200 -0.024 0.000 2.274 184 E HA 0.051 4.400 4.350 -0.000 0.000 0.194 184 E C 1.089 177.672 176.600 -0.029 0.000 0.996 184 E CA 1.311 57.701 56.400 -0.017 0.000 0.840 184 E CB -0.222 29.476 29.700 -0.004 0.000 0.772 184 E HN 1.254 nan 8.360 nan 0.000 0.491 185 S N -3.330 112.345 115.700 -0.041 0.000 2.651 185 S HA 0.724 5.193 4.470 -0.000 0.000 0.279 185 S C 0.681 175.240 174.600 -0.068 0.000 1.148 185 S CA -0.044 58.128 58.200 -0.046 0.000 0.837 185 S CB 1.523 64.712 63.200 -0.018 0.000 1.138 185 S HN 1.797 nan 8.310 nan 0.000 0.478 186 G N 0.602 109.363 108.800 -0.067 0.000 2.728 186 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.294 186 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.294 186 G C -1.019 173.811 174.900 -0.118 0.000 1.342 186 G CA -0.277 44.783 45.100 -0.067 0.000 0.866 186 G HN 0.989 nan 8.290 nan 0.000 0.534 187 D N 1.248 121.594 120.400 -0.091 0.000 2.451 187 D HA 0.246 4.886 4.640 -0.000 0.000 0.254 187 D C 1.654 177.851 176.300 -0.171 0.000 1.204 187 D CA 0.738 54.668 54.000 -0.116 0.000 0.896 187 D CB 0.162 40.925 40.800 -0.061 0.000 1.136 187 D HN 0.652 nan 8.370 nan 0.000 0.499 188 R N 1.909 122.219 120.500 -0.317 0.000 2.504 188 R HA 0.138 4.478 4.340 -0.000 0.000 0.396 188 R C -0.358 175.755 176.300 -0.312 0.000 0.896 188 R CA -0.484 55.424 56.100 -0.319 0.000 1.152 188 R CB 0.014 30.106 30.300 -0.345 0.000 1.681 188 R HN 0.321 nan 8.270 nan 0.000 0.537 189 H N 0.874 119.918 119.070 -0.042 0.000 2.771 189 H HA 0.475 5.031 4.556 -0.000 0.000 0.367 189 H C -2.685 172.617 175.328 -0.043 0.000 1.172 189 H CA -2.562 53.457 56.048 -0.048 0.000 1.186 189 H CB 2.147 31.872 29.762 -0.062 0.000 1.790 189 H HN -0.134 nan 8.280 nan 0.000 0.556 190 P HA 0.002 nan 4.420 nan 0.000 0.267 190 P C -0.922 176.381 177.300 0.005 0.000 1.200 190 P CA -0.011 63.102 63.100 0.022 0.000 0.772 190 P CB 0.568 32.265 31.700 -0.006 0.000 0.855 191 K N 2.139 122.532 120.400 -0.012 0.000 2.414 191 K HA 0.319 4.639 4.320 -0.000 0.000 0.251 191 K C -1.106 175.468 176.600 -0.043 0.000 1.037 191 K CA -0.414 55.859 56.287 -0.023 0.000 0.980 191 K CB 0.442 32.931 32.500 -0.018 0.000 1.280 191 K HN 0.104 nan 8.250 nan 0.000 0.451 192 V N 5.391 125.271 119.914 -0.056 0.000 2.389 192 V HA 0.268 4.388 4.120 -0.000 0.000 0.264 192 V C 0.585 176.617 176.094 -0.104 0.000 1.049 192 V CA -0.728 61.525 62.300 -0.079 0.000 0.932 192 V CB 0.321 32.096 31.823 -0.079 0.000 1.011 192 V HN 0.540 nan 8.190 nan 0.000 0.475 193 R N 2.987 123.411 120.500 -0.126 0.000 2.580 193 R HA 0.251 4.591 4.340 -0.000 0.000 0.267 193 R C 0.598 176.749 176.300 -0.248 0.000 1.125 193 R CA -0.645 55.359 56.100 -0.159 0.000 1.188 193 R CB 0.504 30.719 30.300 -0.142 0.000 1.155 193 R HN 0.934 nan 8.270 nan 0.000 0.586 194 E N -0.381 119.650 120.200 -0.282 0.000 2.442 194 E HA 0.065 4.415 4.350 -0.000 0.000 0.262 194 E C 0.481 176.605 176.600 -0.794 0.000 1.004 194 E CA 0.674 56.837 56.400 -0.396 0.000 0.928 194 E CB 0.129 29.666 29.700 -0.272 0.000 0.937 194 E HN 0.710 nan 8.360 nan 0.000 0.446 195 G N 2.010 110.403 108.800 -0.677 0.000 2.184 195 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 195 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 195 G C 0.447 175.063 174.900 -0.474 0.000 0.975 195 G CA 0.213 44.834 45.100 -0.798 0.000 0.642 195 G HN 0.522 nan 8.290 nan 0.000 0.536 199 G N 3.465 112.244 108.800 -0.036 0.000 2.634 199 G HA2 0.577 4.537 3.960 -0.000 0.000 0.255 199 G HA3 0.577 4.537 3.960 -0.000 0.000 0.255 199 G C 0.329 175.210 174.900 -0.031 0.000 1.205 199 G CA -0.094 44.991 45.100 -0.025 0.000 0.884 199 G HN 0.887 nan 8.290 nan 0.000 0.549 200 A N -0.733 122.077 122.820 -0.016 0.000 2.566 200 A HA 0.476 4.796 4.320 -0.000 0.000 0.245 200 A C 1.753 179.320 177.584 -0.028 0.000 1.056 200 A CA 1.348 53.375 52.037 -0.018 0.000 0.757 200 A CB -0.624 18.376 19.000 -0.000 0.000 0.979 200 A HN 2.625 nan 8.150 nan 0.000 0.508 201 G N 1.076 109.852 108.800 -0.040 0.000 2.184 201 G HA2 0.090 4.049 3.960 -0.000 0.000 0.264 201 G HA3 0.090 4.049 3.960 -0.000 0.000 0.264 201 G C 0.691 175.565 174.900 -0.043 0.000 0.975 201 G CA 0.692 45.768 45.100 -0.041 0.000 0.642 201 G HN 2.300 nan 8.290 nan 0.000 0.536 202 A N -0.156 122.635 122.820 -0.048 0.000 2.483 202 A HA 0.553 4.872 4.320 -0.000 0.000 0.238 202 A C 0.455 178.007 177.584 -0.053 0.000 1.070 202 A CA 0.534 52.543 52.037 -0.046 0.000 0.770 202 A CB 0.384 19.357 19.000 -0.046 0.000 1.008 202 A HN 0.238 nan 8.150 nan 0.000 0.497 203 K N 2.302 122.676 120.400 -0.044 0.000 2.394 203 K HA 0.503 4.823 4.320 -0.000 0.000 0.260 203 K C -1.127 175.450 176.600 -0.038 0.000 0.967 203 K CA 0.005 56.266 56.287 -0.045 0.000 0.855 203 K CB 1.418 33.897 32.500 -0.035 0.000 1.101 203 K HN 0.593 nan 8.250 nan 0.000 0.433 204 I N 5.174 125.718 120.570 -0.044 0.000 2.359 204 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 204 I C -0.351 175.754 176.117 -0.021 0.000 1.018 204 I CA -0.725 60.555 61.300 -0.034 0.000 1.173 204 I CB 0.731 38.706 38.000 -0.042 0.000 1.326 204 I HN 0.246 nan 8.210 nan 0.000 0.462 205 L N 6.097 127.315 121.223 -0.008 0.000 2.322 205 L HA 0.898 5.238 4.340 -0.000 0.000 0.281 205 L C 0.443 177.324 176.870 0.018 0.000 1.014 205 L CA -0.617 54.230 54.840 0.011 0.000 0.815 205 L CB 1.670 43.732 42.059 0.006 0.000 1.247 205 L HN 0.817 nan 8.230 nan 0.000 0.421 206 G N 2.097 110.921 108.800 0.040 0.000 2.570 206 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 206 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 206 G C -0.826 174.083 174.900 0.013 0.000 1.257 206 G CA -0.796 44.314 45.100 0.017 0.000 0.846 206 G HN 0.803 nan 8.290 nan 0.000 0.627 207 N N 0.309 119.000 118.700 -0.014 0.000 2.819 207 N HA 0.402 5.142 4.740 -0.000 0.000 0.284 207 N C 0.548 176.051 175.510 -0.011 0.000 1.196 207 N CA 0.240 53.279 53.050 -0.018 0.000 1.114 207 N CB -0.682 37.780 38.487 -0.043 0.000 1.437 207 N HN 0.912 nan 8.380 nan 0.000 0.518 208 I N -2.171 118.396 120.570 -0.005 0.000 2.846 208 I HA 0.595 4.765 4.170 -0.000 0.000 0.307 208 I C -0.349 175.760 176.117 -0.013 0.000 1.053 208 I CA -1.072 60.223 61.300 -0.009 0.000 1.050 208 I CB 1.851 39.846 38.000 -0.008 0.000 1.239 208 I HN -0.066 nan 8.210 nan 0.000 0.439 209 E N 3.411 123.602 120.200 -0.014 0.000 2.259 209 E HA 0.334 4.684 4.350 -0.000 0.000 0.281 209 E C -0.968 175.615 176.600 -0.028 0.000 1.027 209 E CA -0.403 55.985 56.400 -0.020 0.000 0.838 209 E CB 2.282 31.973 29.700 -0.014 0.000 1.066 209 E HN 0.463 nan 8.360 nan 0.000 0.401 210 V N 3.041 122.930 119.914 -0.042 0.000 2.284 210 V HA 0.255 4.375 4.120 -0.000 0.000 0.274 210 V C 0.787 176.834 176.094 -0.078 0.000 1.023 210 V CA -0.932 61.335 62.300 -0.055 0.000 0.808 210 V CB 1.179 32.965 31.823 -0.063 0.000 1.035 210 V HN 0.735 nan 8.190 nan 0.000 0.445 211 G N 4.260 113.020 108.800 -0.067 0.000 2.368 211 G HA2 0.079 4.039 3.960 -0.000 0.000 0.233 211 G HA3 0.079 4.039 3.960 -0.000 0.000 0.233 211 G C 0.338 175.135 174.900 -0.172 0.000 1.267 211 G CA -0.272 44.776 45.100 -0.087 0.000 0.873 211 G HN 0.940 nan 8.290 nan 0.000 0.539 212 K N 1.132 121.405 120.400 -0.211 0.000 2.524 212 K HA -0.032 4.288 4.320 -0.000 0.000 0.279 212 K C -0.319 175.982 176.600 -0.498 0.000 0.993 212 K CA 0.113 56.175 56.287 -0.374 0.000 1.030 212 K CB 0.085 32.426 32.500 -0.265 0.000 0.891 212 K HN 0.681 nan 8.250 nan 0.000 0.488 213 Y N -1.410 118.673 120.300 -0.361 0.000 4.753 213 Y HA -0.342 4.208 4.550 -0.000 0.000 0.232 213 Y C 0.685 176.442 175.900 -0.239 0.000 1.029 213 Y CA 0.554 58.440 58.100 -0.357 0.000 1.996 213 Y CB -2.110 35.997 38.460 -0.588 0.000 1.602 213 Y HN 0.842 nan 8.280 nan 0.000 0.621 214 A N 0.746 123.474 122.820 -0.153 0.000 2.386 214 A HA 0.603 4.923 4.320 -0.000 0.000 0.246 214 A C 0.393 177.953 177.584 -0.040 0.000 1.089 214 A CA -0.048 51.951 52.037 -0.064 0.000 0.790 214 A CB 0.506 19.464 19.000 -0.070 0.000 1.042 214 A HN 0.320 nan 8.150 nan 0.000 0.497 215 K N 0.621 121.014 120.400 -0.011 0.000 2.482 215 K HA 0.511 4.831 4.320 -0.000 0.000 0.251 215 K C -1.458 175.135 176.600 -0.011 0.000 0.936 215 K CA -0.479 55.803 56.287 -0.008 0.000 0.791 215 K CB 1.915 34.425 32.500 0.015 0.000 1.213 215 K HN 0.495 nan 8.250 nan 0.000 0.428 216 I N 2.124 122.682 120.570 -0.021 0.000 2.378 216 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 216 I C 0.787 176.894 176.117 -0.017 0.000 0.992 216 I CA -0.566 60.721 61.300 -0.021 0.000 1.154 216 I CB 1.150 39.130 38.000 -0.034 0.000 1.315 216 I HN 0.688 nan 8.210 nan 0.000 0.448 217 G N 4.091 112.884 108.800 -0.012 0.000 2.467 217 G HA2 0.456 4.416 3.960 -0.000 0.000 0.257 217 G HA3 0.456 4.416 3.960 -0.000 0.000 0.257 217 G C 0.325 175.217 174.900 -0.014 0.000 1.227 217 G CA -0.329 44.765 45.100 -0.009 0.000 0.835 217 G HN 0.861 nan 8.290 nan 0.000 0.556 218 A N 1.807 124.619 122.820 -0.012 0.000 2.613 218 A HA 0.176 4.496 4.320 -0.000 0.000 0.230 218 A C 1.378 178.952 177.584 -0.016 0.000 1.051 218 A CA 0.768 52.796 52.037 -0.015 0.000 0.754 218 A CB -0.175 18.819 19.000 -0.010 0.000 0.979 218 A HN 1.192 nan 8.150 nan 0.000 0.510 219 N N -0.463 118.225 118.700 -0.021 0.000 2.690 219 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 219 N C 0.200 175.699 175.510 -0.019 0.000 1.125 219 N CA 1.455 54.492 53.050 -0.020 0.000 0.794 219 N CB -1.700 36.777 38.487 -0.017 0.000 1.152 219 N HN 0.652 nan 8.380 nan 0.000 0.571 220 S N -0.419 115.269 115.700 -0.020 0.000 2.584 220 S HA 0.350 4.820 4.470 -0.000 0.000 0.270 220 S C 0.531 175.119 174.600 -0.021 0.000 1.346 220 S CA -0.279 57.910 58.200 -0.018 0.000 1.018 220 S CB 1.600 64.790 63.200 -0.018 0.000 0.899 220 S HN 0.075 nan 8.310 nan 0.000 0.542 221 V N 3.444 123.347 119.914 -0.017 0.000 2.357 221 V HA 0.267 4.387 4.120 -0.000 0.000 0.281 221 V C -0.586 175.499 176.094 -0.015 0.000 1.015 221 V CA -0.621 61.669 62.300 -0.017 0.000 0.827 221 V CB 1.395 33.209 31.823 -0.014 0.000 1.018 221 V HN 0.646 nan 8.190 nan 0.000 0.432 222 V N 6.914 126.818 119.914 -0.017 0.000 2.385 222 V HA 0.372 4.492 4.120 -0.000 0.000 0.269 222 V C 0.597 176.684 176.094 -0.012 0.000 1.043 222 V CA -0.013 62.278 62.300 -0.015 0.000 0.906 222 V CB 1.339 33.150 31.823 -0.020 0.000 0.995 222 V HN 0.759 nan 8.190 nan 0.000 0.467 223 L N 3.573 124.790 121.223 -0.009 0.000 2.920 223 L HA 0.419 4.759 4.340 -0.000 0.000 0.257 223 L C 0.344 177.211 176.870 -0.006 0.000 1.150 223 L CA 0.165 55.001 54.840 -0.007 0.000 0.959 223 L CB 0.343 42.399 42.059 -0.006 0.000 1.321 223 L HN 0.571 nan 8.230 nan 0.000 0.555 224 N N 0.026 118.723 118.700 -0.006 0.000 2.229 224 N HA 0.411 5.151 4.740 -0.000 0.000 0.298 224 N C -2.661 172.845 175.510 -0.006 0.000 1.114 224 N CA -1.348 51.700 53.050 -0.005 0.000 0.776 224 N CB 1.694 40.180 38.487 -0.002 0.000 1.501 224 N HN -0.318 nan 8.380 nan 0.000 0.474 225 P HA -0.036 nan 4.420 nan 0.000 0.264 225 P C -0.658 176.640 177.300 -0.004 0.000 1.179 225 P CA 0.231 63.328 63.100 -0.005 0.000 0.763 225 P CB 0.568 32.267 31.700 -0.002 0.000 0.806 226 V N 6.300 126.210 119.914 -0.008 0.000 2.409 226 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 226 V C -2.061 174.033 176.094 0.000 0.000 1.020 226 V CA -2.065 60.232 62.300 -0.005 0.000 0.848 226 V CB 1.517 33.331 31.823 -0.014 0.000 0.990 226 V HN 0.496 nan 8.190 nan 0.000 0.430 227 P HA 0.092 nan 4.420 nan 0.000 0.268 227 P C -0.003 177.324 177.300 0.045 0.000 1.208 227 P CA -0.160 62.962 63.100 0.038 0.000 0.777 227 P CB 0.443 32.175 31.700 0.052 0.000 0.875 228 E N 1.517 121.757 120.200 0.067 0.000 2.437 228 E HA -0.107 4.243 4.350 -0.000 0.000 0.263 228 E C -0.052 176.673 176.600 0.207 0.000 1.030 228 E CA 0.278 56.706 56.400 0.046 0.000 0.934 228 E CB -0.205 29.585 29.700 0.149 0.000 0.943 228 E HN 0.459 nan 8.360 nan 0.000 0.444 229 Y N -1.994 118.360 120.300 0.089 0.000 4.787 229 Y HA -0.338 4.211 4.550 -0.000 0.000 0.224 229 Y C 0.629 176.559 175.900 0.050 0.000 1.017 229 Y CA 0.639 58.791 58.100 0.086 0.000 1.949 229 Y CB -2.062 36.438 38.460 0.067 0.000 1.605 229 Y HN 0.606 nan 8.280 nan 0.000 0.587 230 A N 0.018 122.923 122.820 0.142 0.000 2.304 230 A HA 0.650 4.970 4.320 -0.000 0.000 0.271 230 A C 0.571 178.189 177.584 0.057 0.000 1.091 230 A CA 0.321 52.412 52.037 0.090 0.000 0.812 230 A CB 0.497 19.534 19.000 0.062 0.000 1.056 230 A HN 0.192 nan 8.150 nan 0.000 0.489 231 T N 0.875 115.456 114.554 0.045 0.000 2.823 231 T HA 0.627 4.977 4.350 -0.000 0.000 0.279 231 T C -0.125 174.585 174.700 0.017 0.000 0.998 231 T CA 0.294 62.411 62.100 0.029 0.000 0.994 231 T CB 1.280 70.165 68.868 0.029 0.000 0.960 231 T HN 1.116 nan 8.240 nan 0.000 0.448 232 A N 2.161 124.985 122.820 0.007 0.000 2.374 232 A HA 0.988 5.308 4.320 -0.000 0.000 0.317 232 A C -0.722 176.861 177.584 -0.002 0.000 1.094 232 A CA -0.757 51.282 52.037 0.002 0.000 0.765 232 A CB 1.294 20.292 19.000 -0.004 0.000 1.268 232 A HN 1.192 nan 8.150 nan 0.000 0.438 233 A N 0.453 123.272 122.820 -0.002 0.000 2.582 233 A HA 0.903 5.223 4.320 -0.000 0.000 0.297 233 A C -0.139 177.443 177.584 -0.004 0.000 1.059 233 A CA 0.287 52.322 52.037 -0.004 0.000 0.705 233 A CB 0.690 19.689 19.000 -0.002 0.000 1.279 233 A HN 2.891 nan 8.150 nan 0.000 0.404 234 G N -1.088 107.708 108.800 -0.006 0.000 2.347 234 G HA2 0.523 4.483 3.960 -0.000 0.000 0.477 234 G HA3 0.523 4.483 3.960 -0.000 0.000 0.477 234 G C -1.422 173.473 174.900 -0.008 0.000 1.349 234 G CA -0.070 45.026 45.100 -0.006 0.000 1.000 234 G HN 1.763 nan 8.290 nan 0.000 0.605 235 V N 2.905 122.814 119.914 -0.007 0.000 2.327 235 V HA 0.521 4.641 4.120 -0.000 0.000 0.272 235 V C -1.360 174.730 176.094 -0.006 0.000 1.019 235 V CA -0.833 61.462 62.300 -0.008 0.000 0.814 235 V CB 0.721 32.539 31.823 -0.008 0.000 1.040 235 V HN 0.853 nan 8.190 nan 0.000 0.440 236 P HA 0.596 nan 4.420 nan 0.000 0.276 236 P C -0.223 177.074 177.300 -0.006 0.000 1.261 236 P CA -0.378 62.718 63.100 -0.007 0.000 0.800 236 P CB 0.987 32.684 31.700 -0.006 0.000 1.066 237 A N 0.265 123.081 122.820 -0.007 0.000 2.407 237 A HA 0.599 4.919 4.320 -0.000 0.000 0.248 237 A C 0.596 178.178 177.584 -0.003 0.000 1.082 237 A CA -0.130 51.904 52.037 -0.006 0.000 0.785 237 A CB -0.252 18.743 19.000 -0.008 0.000 1.020 237 A HN 0.897 nan 8.150 nan 0.000 0.489 238 R N 1.948 122.447 120.500 -0.001 0.000 2.686 238 R HA 0.596 4.936 4.340 -0.000 0.000 0.286 238 R C -0.463 175.840 176.300 0.004 0.000 0.969 238 R CA -0.789 55.312 56.100 0.002 0.000 0.898 238 R CB 0.568 30.869 30.300 0.002 0.000 1.183 238 R HN 0.729 nan 8.270 nan 0.000 0.456 239 I N 3.023 123.597 120.570 0.007 0.000 2.752 239 I HA 0.071 4.241 4.170 -0.000 0.000 0.286 239 I C 0.767 176.892 176.117 0.013 0.000 1.180 239 I CA 0.195 61.503 61.300 0.012 0.000 1.404 239 I CB 0.318 38.327 38.000 0.016 0.000 1.389 239 I HN 0.486 nan 8.210 nan 0.000 0.549 240 V N 0.000 119.922 119.914 0.014 0.000 2.409 240 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 240 V CA 0.000 62.308 62.300 0.013 0.000 1.235 240 V CB 0.000 31.829 31.823 0.010 0.000 1.184 240 V HN 0.000 nan 8.190 nan 0.000 0.556