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 1yrd_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.493 175.510 -0.028 0.000 1.280 10 N CA 0.000 53.034 53.050 -0.026 0.000 0.885 10 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 11 L N 2.154 123.362 121.223 -0.024 0.000 2.282 11 L HA 0.632 4.970 4.340 -0.004 0.000 0.288 11 L C 0.784 177.656 176.870 0.004 0.000 1.033 11 L CA -0.649 54.179 54.840 -0.020 0.000 0.807 11 L CB 1.478 43.523 42.059 -0.024 0.000 1.209 11 L HN 0.585 nan 8.230 nan 0.000 0.423 12 A N 5.766 128.599 122.820 0.021 0.000 2.388 12 A HA 0.546 4.864 4.320 -0.004 0.000 0.257 12 A C -2.144 175.480 177.584 0.065 0.000 1.095 12 A CA -1.185 50.882 52.037 0.050 0.000 0.791 12 A CB -0.282 18.764 19.000 0.077 0.000 1.029 12 A HN 0.499 nan 8.150 nan 0.000 0.489 13 P HA 0.071 nan 4.420 nan 0.000 0.265 13 P C -0.484 176.829 177.300 0.021 0.000 1.193 13 P CA -0.229 62.886 63.100 0.025 0.000 0.765 13 P CB 0.454 32.162 31.700 0.014 0.000 0.823 14 L N 6.594 127.798 121.223 -0.031 0.000 2.462 14 L HA 0.198 4.536 4.340 -0.004 0.000 0.272 14 L C -1.936 174.801 176.870 -0.222 0.000 1.166 14 L CA -1.256 53.492 54.840 -0.154 0.000 0.880 14 L CB -0.798 41.153 42.059 -0.180 0.000 1.142 14 L HN 0.324 nan 8.230 nan 0.000 0.473 15 P HA 0.145 nan 4.420 nan 0.000 0.269 15 P C -2.082 175.073 177.300 -0.241 0.000 1.215 15 P CA -0.897 62.038 63.100 -0.274 0.000 0.780 15 P CB 0.149 31.607 31.700 -0.404 0.000 0.898 16 P HA -0.202 nan 4.420 nan 0.000 0.218 16 P C 0.997 178.302 177.300 0.008 0.000 1.146 16 P CA 1.472 64.566 63.100 -0.010 0.000 0.813 16 P CB -0.327 31.398 31.700 0.041 0.000 0.778 17 H N -2.552 116.455 119.070 -0.105 0.000 2.539 17 H HA 0.177 4.731 4.556 -0.004 0.000 0.269 17 H C -0.051 175.238 175.328 -0.066 0.000 0.980 17 H CA 0.097 56.114 56.048 -0.052 0.000 1.152 17 H CB -0.583 29.182 29.762 0.005 0.000 1.407 17 H HN -0.083 nan 8.280 nan 0.000 0.564 18 V N 5.681 125.227 119.914 -0.614 0.000 2.364 18 V HA 0.227 4.345 4.120 -0.004 0.000 0.272 18 V C -1.914 173.988 176.094 -0.319 0.000 1.036 18 V CA -1.554 60.387 62.300 -0.597 0.000 0.880 18 V CB 1.592 32.683 31.823 -1.220 0.000 0.991 18 V HN 0.259 nan 8.190 nan 0.000 0.460 19 P HA 0.198 nan 4.420 nan 0.000 0.279 19 P C 0.609 177.831 177.300 -0.130 0.000 1.239 19 P CA -0.404 62.644 63.100 -0.086 0.000 0.789 19 P CB 1.044 32.746 31.700 0.004 0.000 0.933 20 E N 2.148 122.335 120.200 -0.021 0.000 2.209 20 E HA -0.267 4.081 4.350 -0.004 0.000 0.196 20 E C 1.464 178.087 176.600 0.037 0.000 0.993 20 E CA 1.154 57.553 56.400 -0.002 0.000 0.819 20 E CB -0.805 28.913 29.700 0.030 0.000 0.745 20 E HN 0.612 nan 8.360 nan 0.000 0.477 21 H N 0.846 119.937 119.070 0.036 0.000 2.559 21 H HA 0.064 4.618 4.556 -0.003 0.000 0.273 21 H C 1.515 176.897 175.328 0.091 0.000 1.000 21 H CA 0.564 56.645 56.048 0.055 0.000 1.195 21 H CB -0.100 29.688 29.762 0.043 0.000 1.368 21 H HN 0.258 nan 8.280 nan 0.000 0.592 22 L N 1.309 122.359 121.223 -0.288 0.000 2.640 22 L HA 0.200 4.538 4.340 -0.004 0.000 0.230 22 L C 0.107 177.035 176.870 0.096 0.000 1.123 22 L CA -0.259 54.531 54.840 -0.085 0.000 0.900 22 L CB 0.833 42.853 42.059 -0.064 0.000 1.146 22 L HN -0.028 nan 8.230 nan 0.000 0.484 23 V N 0.835 120.799 119.914 0.083 0.000 2.455 23 V HA 0.086 4.204 4.120 -0.004 0.000 0.273 23 V C -0.621 175.585 176.094 0.187 0.000 1.045 23 V CA 0.127 62.510 62.300 0.139 0.000 0.976 23 V CB 0.923 32.794 31.823 0.080 0.000 0.993 23 V HN 0.082 nan 8.190 nan 0.000 0.475 24 F N 3.901 123.859 119.950 0.014 0.000 2.828 24 F HA 0.420 4.945 4.527 -0.004 0.000 0.355 24 F C 0.207 175.990 175.800 -0.028 0.000 1.200 24 F CA -0.839 57.160 58.000 -0.001 0.000 1.062 24 F CB 1.317 40.316 39.000 -0.002 0.000 1.351 24 F HN 0.503 nan 8.300 nan 0.000 0.504 25 D N 6.344 126.587 120.400 -0.263 0.000 2.662 25 D HA -0.028 4.610 4.640 -0.004 0.000 0.228 25 D C -0.236 175.945 176.300 -0.198 0.000 1.093 25 D CA 0.505 54.379 54.000 -0.211 0.000 1.075 25 D CB -0.402 40.277 40.800 -0.203 0.000 1.122 25 D HN 0.254 nan 8.370 nan 0.000 0.475 26 F N 1.638 121.470 119.950 -0.197 0.000 2.412 26 F HA 0.146 4.671 4.527 -0.004 0.000 0.348 26 F C 0.423 176.098 175.800 -0.208 0.000 1.102 26 F CA -0.725 57.181 58.000 -0.158 0.000 1.196 26 F CB 0.927 39.917 39.000 -0.018 0.000 1.144 26 F HN -0.135 nan 8.300 nan 0.000 0.541 27 D N 7.104 126.979 120.400 -0.876 0.000 2.454 27 D HA 0.114 4.752 4.640 -0.004 0.000 0.225 27 D C 0.901 176.673 176.300 -0.881 0.000 1.081 27 D CA -0.444 53.198 54.000 -0.596 0.000 0.864 27 D CB 0.911 41.489 40.800 -0.370 0.000 1.040 27 D HN 0.735 nan 8.370 nan 0.000 0.517 28 M N 1.813 121.074 119.600 -0.565 0.000 2.446 28 M HA -0.097 4.380 4.480 -0.004 0.000 0.263 28 M C 0.255 176.339 176.300 -0.360 0.000 1.066 28 M CA 1.280 56.290 55.300 -0.483 0.000 1.087 28 M CB -0.225 32.270 32.600 -0.175 0.000 1.406 28 M HN 0.220 nan 8.290 nan 0.000 0.459 29 Y N 0.543 120.785 120.300 -0.098 0.000 2.462 29 Y HA 0.285 4.833 4.550 -0.004 0.000 0.261 29 Y C 0.562 176.431 175.900 -0.053 0.000 1.146 29 Y CA -0.061 58.026 58.100 -0.021 0.000 1.283 29 Y CB 0.502 38.953 38.460 -0.016 0.000 1.090 29 Y HN 0.467 nan 8.280 nan 0.000 0.526 30 N N 0.797 119.465 118.700 -0.053 0.000 2.926 30 N HA 0.073 4.811 4.740 -0.004 0.000 0.201 30 N C -3.276 172.095 175.510 -0.231 0.000 1.419 30 N CA -0.963 52.041 53.050 -0.076 0.000 0.838 30 N CB 0.849 39.316 38.487 -0.035 0.000 1.534 30 N HN -0.181 nan 8.380 nan 0.000 0.569 31 P HA 0.081 nan 4.420 nan 0.000 0.268 31 P C 0.749 177.920 177.300 -0.215 0.000 1.205 31 P CA 0.081 62.882 63.100 -0.498 0.000 0.771 31 P CB 1.491 32.874 31.700 -0.527 0.000 0.858 32 S N 2.467 118.049 115.700 -0.197 0.000 2.368 32 S HA -0.210 4.258 4.470 -0.004 0.000 0.226 32 S C 1.111 175.694 174.600 -0.027 0.000 1.044 32 S CA 1.920 60.065 58.200 -0.092 0.000 1.062 32 S CB -0.751 62.402 63.200 -0.077 0.000 0.931 32 S HN 0.613 nan 8.310 nan 0.000 0.440 33 N N 1.006 119.716 118.700 0.016 0.000 2.378 33 N HA 0.265 5.003 4.740 -0.004 0.000 0.243 33 N C 0.715 176.264 175.510 0.065 0.000 1.137 33 N CA -0.120 52.958 53.050 0.045 0.000 0.862 33 N CB 0.236 38.766 38.487 0.072 0.000 1.116 33 N HN 0.129 nan 8.380 nan 0.000 0.499 34 L N 0.567 121.823 121.223 0.054 0.000 2.127 34 L HA -0.187 4.151 4.340 -0.004 0.000 0.211 34 L C 2.069 178.980 176.870 0.068 0.000 1.089 34 L CA 1.620 56.516 54.840 0.093 0.000 0.757 34 L CB -0.826 41.282 42.059 0.082 0.000 0.899 34 L HN 0.327 nan 8.230 nan 0.000 0.434 35 S N -0.956 114.763 115.700 0.032 0.000 2.440 35 S HA -0.118 4.350 4.470 -0.004 0.000 0.238 35 S C 1.937 176.531 174.600 -0.011 0.000 1.010 35 S CA 0.782 58.984 58.200 0.004 0.000 0.972 35 S CB -0.842 62.360 63.200 0.004 0.000 0.774 35 S HN 0.500 nan 8.310 nan 0.000 0.501 36 A N 1.054 123.885 122.820 0.019 0.000 2.208 36 A HA 0.576 4.894 4.320 -0.004 0.000 0.209 36 A C 1.184 178.784 177.584 0.028 0.000 1.161 36 A CA 0.387 52.438 52.037 0.022 0.000 0.782 36 A CB -0.747 18.279 19.000 0.044 0.000 0.816 36 A HN 1.603 nan 8.150 nan 0.000 0.477 37 G N -2.372 106.445 108.800 0.028 0.000 2.627 37 G HA2 0.119 4.077 3.960 -0.004 0.000 0.680 37 G HA3 0.119 4.077 3.960 -0.004 0.000 0.680 37 G C 0.353 175.438 174.900 0.309 0.000 1.341 37 G CA -0.173 44.985 45.100 0.097 0.000 0.835 37 G HN 0.804 nan 8.290 nan 0.000 0.643 38 V N 1.362 121.629 119.914 0.589 0.000 2.407 38 V HA -0.147 3.971 4.120 -0.004 0.000 0.248 38 V C 2.670 178.986 176.094 0.370 0.000 1.055 38 V CA 3.322 65.900 62.300 0.462 0.000 1.049 38 V CB -0.287 31.799 31.823 0.438 0.000 0.662 38 V HN 0.799 nan 8.190 nan 0.000 0.455 39 Q N -0.077 119.826 119.800 0.171 0.000 2.084 39 Q HA -0.207 4.131 4.340 -0.004 0.000 0.202 39 Q C 2.103 178.188 176.000 0.141 0.000 0.978 39 Q CA 2.140 57.975 55.803 0.053 0.000 0.844 39 Q CB -0.270 28.406 28.738 -0.104 0.000 0.898 39 Q HN 0.687 nan 8.270 nan 0.000 0.426 40 E N 0.103 120.391 120.200 0.146 0.000 2.110 40 E HA -0.132 4.216 4.350 -0.004 0.000 0.193 40 E C 1.801 178.504 176.600 0.171 0.000 0.988 40 E CA 1.183 57.655 56.400 0.120 0.000 0.804 40 E CB -0.320 29.438 29.700 0.096 0.000 0.745 40 E HN 0.407 nan 8.360 nan 0.000 0.458 41 A N -0.128 122.839 122.820 0.245 0.000 1.902 41 A HA -0.166 4.151 4.320 -0.004 0.000 0.217 41 A C 1.720 179.499 177.584 0.325 0.000 1.181 41 A CA 1.280 53.473 52.037 0.261 0.000 0.623 41 A CB -0.914 18.243 19.000 0.261 0.000 0.818 41 A HN 0.361 nan 8.150 nan 0.000 0.443 42 W N -0.419 120.987 121.300 0.178 0.000 2.436 42 W HA 0.167 4.825 4.660 -0.003 0.000 0.284 42 W C 2.600 179.063 176.519 -0.094 0.000 1.225 42 W CA 0.891 58.272 57.345 0.060 0.000 1.271 42 W CB -0.310 29.154 29.460 0.008 0.000 1.114 42 W HN 0.353 nan 8.180 nan 0.000 0.559 43 A N 0.485 123.406 122.820 0.167 0.000 2.178 43 A HA -0.126 4.192 4.320 -0.004 0.000 0.218 43 A C 1.982 179.565 177.584 -0.002 0.000 1.157 43 A CA 1.801 53.864 52.037 0.044 0.000 0.689 43 A CB -1.213 17.806 19.000 0.032 0.000 0.787 43 A HN 0.269 nan 8.150 nan 0.000 0.465 44 V N -2.495 117.440 119.914 0.036 0.000 2.720 44 V HA -0.134 3.984 4.120 -0.004 0.000 0.256 44 V C 1.902 177.930 176.094 -0.110 0.000 1.082 44 V CA 1.784 64.108 62.300 0.039 0.000 1.101 44 V CB -0.893 31.035 31.823 0.176 0.000 0.693 44 V HN 0.452 nan 8.190 nan 0.000 0.479 45 L N -0.348 120.728 121.223 -0.245 0.000 2.551 45 L HA 0.061 4.399 4.340 -0.004 0.000 0.228 45 L C 2.287 178.959 176.870 -0.330 0.000 1.153 45 L CA 1.002 55.558 54.840 -0.473 0.000 0.851 45 L CB -0.340 41.404 42.059 -0.524 0.000 0.959 45 L HN 0.411 nan 8.230 nan 0.000 0.451 46 Q N -0.501 119.182 119.800 -0.195 0.000 2.172 46 Q HA 0.152 4.489 4.340 -0.004 0.000 0.217 46 Q C -0.235 175.703 176.000 -0.104 0.000 0.832 46 Q CA -0.166 55.552 55.803 -0.141 0.000 1.010 46 Q CB 0.711 29.390 28.738 -0.098 0.000 1.133 46 Q HN 0.444 nan 8.270 nan 0.000 0.489 47 E N 0.352 120.487 120.200 -0.108 0.000 2.373 47 E HA 0.023 4.371 4.350 -0.004 0.000 0.263 47 E C 0.947 177.511 176.600 -0.061 0.000 1.073 47 E CA 0.271 56.635 56.400 -0.059 0.000 0.894 47 E CB 1.038 30.724 29.700 -0.024 0.000 1.008 47 E HN 0.181 nan 8.360 nan 0.000 0.420 48 S N 2.631 118.311 115.700 -0.033 0.000 2.390 48 S HA -0.375 4.093 4.470 -0.004 0.000 0.234 48 S C 1.414 175.998 174.600 -0.026 0.000 1.063 48 S CA 2.334 60.518 58.200 -0.027 0.000 1.108 48 S CB -0.824 62.369 63.200 -0.012 0.000 0.975 48 S HN 0.779 nan 8.310 nan 0.000 0.442 49 N N 0.789 119.482 118.700 -0.012 0.000 2.521 49 N HA 0.093 4.831 4.740 -0.004 0.000 0.188 49 N C -0.272 175.231 175.510 -0.012 0.000 1.146 49 N CA 0.257 53.310 53.050 0.005 0.000 0.893 49 N CB -0.153 38.356 38.487 0.037 0.000 0.975 49 N HN 0.336 nan 8.380 nan 0.000 0.451 50 V N 1.773 121.640 119.914 -0.079 0.000 2.432 50 V HA 0.304 4.422 4.120 -0.004 0.000 0.275 50 V C -1.845 174.173 176.094 -0.127 0.000 1.043 50 V CA -1.714 60.487 62.300 -0.166 0.000 0.925 50 V CB 0.851 32.441 31.823 -0.388 0.000 0.985 50 V HN 0.106 nan 8.190 nan 0.000 0.466 51 P HA 0.131 nan 4.420 nan 0.000 0.271 51 P C 0.356 177.603 177.300 -0.088 0.000 1.233 51 P CA -0.246 62.827 63.100 -0.045 0.000 0.789 51 P CB 0.621 32.331 31.700 0.017 0.000 0.951 52 D N -0.411 119.936 120.400 -0.087 0.000 2.178 52 D HA -0.042 4.596 4.640 -0.004 0.000 0.201 52 D C 0.359 176.594 176.300 -0.107 0.000 0.980 52 D CA 1.433 55.354 54.000 -0.131 0.000 0.842 52 D CB -0.122 40.565 40.800 -0.189 0.000 0.948 52 D HN 0.056 nan 8.370 nan 0.000 0.472 53 L N 0.668 121.864 121.223 -0.045 0.000 2.404 53 L HA 0.354 4.691 4.340 -0.004 0.000 0.272 53 L C -0.737 176.235 176.870 0.170 0.000 0.980 53 L CA -0.951 53.917 54.840 0.047 0.000 0.836 53 L CB 1.780 43.846 42.059 0.012 0.000 1.238 53 L HN -0.151 nan 8.230 nan 0.000 0.408 54 V N 1.693 121.748 119.914 0.236 0.000 3.113 54 V HA 0.696 4.813 4.120 -0.004 0.000 0.316 54 V C -1.339 175.012 176.094 0.428 0.000 1.125 54 V CA -0.771 61.704 62.300 0.293 0.000 1.026 54 V CB 2.120 34.018 31.823 0.124 0.000 1.080 54 V HN 0.918 nan 8.190 nan 0.000 0.444 55 W N 1.874 123.198 121.300 0.039 0.000 2.532 55 W HA 0.671 5.329 4.660 -0.003 0.000 0.321 55 W C -1.027 175.359 176.519 -0.220 0.000 1.037 55 W CA -0.225 56.945 57.345 -0.292 0.000 1.220 55 W CB 1.933 30.965 29.460 -0.713 0.000 1.361 55 W HN 0.894 nan 8.180 nan 0.000 0.468 56 T N 5.092 119.138 114.554 -0.848 0.000 2.855 56 T HA 0.396 4.744 4.350 -0.004 0.000 0.281 56 T C 0.855 175.075 174.700 -0.801 0.000 1.007 56 T CA -0.446 61.296 62.100 -0.597 0.000 1.009 56 T CB 1.243 69.808 68.868 -0.504 0.000 0.983 56 T HN 0.634 nan 8.240 nan 0.000 0.455 57 R N 1.917 122.233 120.500 -0.308 0.000 2.310 57 R HA 0.210 4.548 4.340 -0.004 0.000 0.202 57 R C 0.522 176.727 176.300 -0.159 0.000 0.933 57 R CA -0.193 55.827 56.100 -0.133 0.000 1.054 57 R CB -0.264 30.050 30.300 0.023 0.000 0.985 57 R HN 0.556 nan 8.270 nan 0.000 0.489 58 C N 1.262 120.431 119.300 -0.219 0.000 2.656 58 C HA 0.108 4.566 4.460 -0.004 0.000 0.391 58 C C 0.884 175.834 174.990 -0.066 0.000 1.300 58 C CA -0.467 58.473 59.018 -0.130 0.000 2.302 58 C CB 0.041 27.699 27.740 -0.137 0.000 2.655 58 C HN 0.673 nan 8.230 nan 0.000 0.656 59 N N 0.575 119.284 118.700 0.016 0.000 2.716 59 N HA -0.152 4.586 4.740 -0.004 0.000 0.250 59 N C 0.749 176.307 175.510 0.079 0.000 1.033 59 N CA 0.922 54.024 53.050 0.086 0.000 0.727 59 N CB -1.131 37.478 38.487 0.203 0.000 0.950 59 N HN 1.359 nan 8.380 nan 0.000 0.541 60 G N -1.937 106.883 108.800 0.033 0.000 2.241 60 G HA2 0.091 4.048 3.960 -0.004 0.000 0.244 60 G HA3 0.091 4.048 3.960 -0.004 0.000 0.244 60 G C 0.534 175.453 174.900 0.033 0.000 0.998 60 G CA 0.303 45.430 45.100 0.045 0.000 0.621 60 G HN 1.613 nan 8.290 nan 0.000 0.519 61 G N -0.667 108.072 108.800 -0.102 0.000 3.338 61 G HA2 0.585 4.543 3.960 -0.004 0.000 0.686 61 G HA3 0.585 4.543 3.960 -0.004 0.000 0.686 61 G C -0.551 173.880 174.900 -0.781 0.000 1.053 61 G CA 0.631 45.487 45.100 -0.408 0.000 0.852 61 G HN 2.850 nan 8.290 nan 0.000 0.545 62 H N -1.520 116.552 119.070 -1.663 0.000 2.987 62 H HA 0.663 5.217 4.556 -0.003 0.000 0.316 62 H C -0.663 174.012 175.328 -1.089 0.000 1.380 62 H CA -1.628 53.700 56.048 -1.200 0.000 1.160 62 H CB 0.119 29.637 29.762 -0.407 0.000 1.865 62 H HN 0.652 nan 8.280 nan 0.000 0.521 63 W N 0.797 122.032 121.300 -0.109 0.000 2.183 63 W HA 0.647 5.305 4.660 -0.004 0.000 0.348 63 W C -0.279 176.312 176.519 0.120 0.000 1.257 63 W CA -0.617 56.780 57.345 0.086 0.000 1.324 63 W CB 0.883 30.498 29.460 0.259 0.000 1.144 63 W HN 0.452 nan 8.180 nan 0.000 0.622 64 I N 2.290 123.071 120.570 0.351 0.000 2.534 64 I HA 0.337 4.505 4.170 -0.004 0.000 0.286 64 I C -0.406 175.777 176.117 0.111 0.000 1.094 64 I CA -1.113 60.299 61.300 0.186 0.000 1.055 64 I CB 1.385 39.427 38.000 0.071 0.000 1.225 64 I HN 0.447 nan 8.210 nan 0.000 0.435 65 A N 3.300 126.150 122.820 0.050 0.000 2.320 65 A HA 0.508 4.826 4.320 -0.004 0.000 0.287 65 A C 0.954 178.504 177.584 -0.056 0.000 1.181 65 A CA -0.087 51.942 52.037 -0.014 0.000 0.831 65 A CB 0.250 19.217 19.000 -0.054 0.000 1.102 65 A HN 0.851 nan 8.150 nan 0.000 0.513 66 T N -0.194 114.302 114.554 -0.096 0.000 3.040 66 T HA 0.238 4.586 4.350 -0.004 0.000 0.250 66 T C 0.617 175.245 174.700 -0.119 0.000 1.058 66 T CA -0.052 61.972 62.100 -0.127 0.000 0.988 66 T CB 0.066 68.823 68.868 -0.185 0.000 0.993 66 T HN 0.511 nan 8.240 nan 0.000 0.519 67 R N 0.251 120.677 120.500 -0.124 0.000 2.740 67 R HA 0.594 4.931 4.340 -0.004 0.000 0.282 67 R C 1.516 177.750 176.300 -0.110 0.000 0.969 67 R CA -0.322 55.706 56.100 -0.120 0.000 0.918 67 R CB 1.168 31.384 30.300 -0.140 0.000 1.175 67 R HN 0.214 nan 8.270 nan 0.000 0.464 68 G N 1.002 109.746 108.800 -0.093 0.000 2.469 68 G HA2 -0.347 3.611 3.960 -0.004 0.000 0.220 68 G HA3 -0.347 3.611 3.960 -0.004 0.000 0.220 68 G C 1.127 175.970 174.900 -0.096 0.000 1.136 68 G CA 0.914 45.961 45.100 -0.088 0.000 0.759 68 G HN 0.483 nan 8.290 nan 0.000 0.562 69 Q N -0.033 119.709 119.800 -0.096 0.000 2.061 69 Q HA -0.055 4.283 4.340 -0.004 0.000 0.204 69 Q C 2.412 178.366 176.000 -0.076 0.000 0.984 69 Q CA 1.339 57.095 55.803 -0.078 0.000 0.846 69 Q CB -0.474 28.216 28.738 -0.080 0.000 0.902 69 Q HN 0.406 nan 8.270 nan 0.000 0.421 70 L N -0.410 120.713 121.223 -0.166 0.000 2.072 70 L HA -0.049 4.289 4.340 -0.004 0.000 0.205 70 L C 2.256 179.117 176.870 -0.015 0.000 1.079 70 L CA 1.190 55.952 54.840 -0.130 0.000 0.752 70 L CB -0.530 41.364 42.059 -0.275 0.000 0.906 70 L HN 0.261 nan 8.230 nan 0.000 0.436 71 I N -0.834 119.686 120.570 -0.083 0.000 2.163 71 I HA -0.329 3.838 4.170 -0.004 0.000 0.243 71 I C 2.659 178.753 176.117 -0.038 0.000 1.085 71 I CA 1.316 62.552 61.300 -0.106 0.000 1.347 71 I CB -0.301 37.677 38.000 -0.037 0.000 1.044 71 I HN 0.201 nan 8.210 nan 0.000 0.408 72 R N 0.572 121.042 120.500 -0.051 0.000 2.081 72 R HA -0.161 4.176 4.340 -0.004 0.000 0.235 72 R C 2.235 178.629 176.300 0.158 0.000 1.131 72 R CA 1.415 57.445 56.100 -0.117 0.000 0.960 72 R CB -0.303 29.784 30.300 -0.355 0.000 0.856 72 R HN 0.421 nan 8.270 nan 0.000 0.436 73 E N 0.367 120.657 120.200 0.150 0.000 2.085 73 E HA -0.203 4.145 4.350 -0.004 0.000 0.194 73 E C 2.038 178.762 176.600 0.206 0.000 0.994 73 E CA 1.282 57.840 56.400 0.263 0.000 0.801 73 E CB -0.102 29.839 29.700 0.402 0.000 0.743 73 E HN 0.383 nan 8.360 nan 0.000 0.453 74 A N 0.362 123.142 122.820 -0.065 0.000 1.930 74 A HA -0.166 4.152 4.320 -0.004 0.000 0.217 74 A C 1.757 179.210 177.584 -0.218 0.000 1.175 74 A CA 1.095 52.763 52.037 -0.614 0.000 0.627 74 A CB -0.612 17.564 19.000 -1.374 0.000 0.815 74 A HN 0.251 nan 8.150 nan 0.000 0.443 75 Y N 0.440 120.765 120.300 0.043 0.000 2.421 75 Y HA -0.073 4.475 4.550 -0.003 0.000 0.292 75 Y C 2.301 178.354 175.900 0.256 0.000 1.136 75 Y CA 1.277 59.482 58.100 0.176 0.000 1.255 75 Y CB -0.244 38.359 38.460 0.238 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.552 76 E N -0.856 119.585 120.200 0.402 0.000 2.122 76 E HA -0.118 4.229 4.350 -0.004 0.000 0.190 76 E C 0.421 177.166 176.600 0.242 0.000 0.977 76 E CA 0.752 57.335 56.400 0.306 0.000 0.820 76 E CB 0.076 29.940 29.700 0.273 0.000 0.770 76 E HN 0.109 nan 8.360 nan 0.000 0.462 77 D N 0.321 120.869 120.400 0.247 0.000 2.558 77 D HA -0.024 4.614 4.640 -0.004 0.000 0.221 77 D C 0.315 176.710 176.300 0.159 0.000 1.143 77 D CA -0.341 53.746 54.000 0.146 0.000 1.010 77 D CB -0.135 40.848 40.800 0.304 0.000 1.068 77 D HN 0.197 nan 8.370 nan 0.000 0.511 78 Y N 0.783 121.180 120.300 0.162 0.000 2.571 78 Y HA 0.123 4.671 4.550 -0.003 0.000 0.294 78 Y C 1.835 177.743 175.900 0.014 0.000 1.141 78 Y CA 0.266 58.448 58.100 0.136 0.000 1.308 78 Y CB -0.336 38.212 38.460 0.146 0.000 1.002 78 Y HN 0.059 nan 8.280 nan 0.000 0.551 79 R N -0.230 120.060 120.500 -0.349 0.000 2.092 79 R HA -0.089 4.249 4.340 -0.004 0.000 0.231 79 R C 1.332 177.358 176.300 -0.456 0.000 1.119 79 R CA 1.942 57.818 56.100 -0.374 0.000 0.970 79 R CB -0.369 29.593 30.300 -0.565 0.000 0.864 79 R HN 0.573 nan 8.270 nan 0.000 0.440 80 H N -2.104 116.713 119.070 -0.423 0.000 2.516 80 H HA 0.118 4.672 4.556 -0.003 0.000 0.284 80 H C -0.276 174.603 175.328 -0.748 0.000 0.999 80 H CA 0.220 55.821 56.048 -0.746 0.000 1.303 80 H CB 0.499 29.440 29.762 -1.368 0.000 1.452 80 H HN -0.047 nan 8.280 nan 0.000 0.530 81 F N 1.087 121.029 119.950 -0.013 0.000 2.307 81 F HA 0.302 4.827 4.527 -0.004 0.000 0.369 81 F C 0.249 176.085 175.800 0.060 0.000 1.076 81 F CA -0.725 57.271 58.000 -0.007 0.000 1.149 81 F CB 1.200 40.154 39.000 -0.076 0.000 1.410 81 F HN -0.105 nan 8.300 nan 0.000 0.481 82 S N 0.931 116.734 115.700 0.171 0.000 2.584 82 S HA 0.239 4.707 4.470 -0.004 0.000 0.273 82 S C 1.088 175.765 174.600 0.128 0.000 1.311 82 S CA -0.455 57.837 58.200 0.154 0.000 1.034 82 S CB 1.014 64.272 63.200 0.097 0.000 0.939 82 S HN 0.530 nan 8.310 nan 0.000 0.513 83 S N 2.718 118.485 115.700 0.111 0.000 2.593 83 S HA 0.052 4.520 4.470 -0.004 0.000 0.217 83 S C 1.527 176.132 174.600 0.009 0.000 0.966 83 S CA 0.027 58.237 58.200 0.016 0.000 0.914 83 S CB -0.168 62.978 63.200 -0.090 0.000 0.776 83 S HN 0.869 nan 8.310 nan 0.000 0.523 84 E N 0.460 120.689 120.200 0.048 0.000 2.085 84 E HA -0.163 4.185 4.350 -0.004 0.000 0.194 84 E C -0.285 176.322 176.600 0.012 0.000 0.994 84 E CA 0.946 57.373 56.400 0.044 0.000 0.801 84 E CB 0.106 29.836 29.700 0.049 0.000 0.743 84 E HN 0.365 nan 8.360 nan 0.000 0.453 85 C N 1.756 121.053 119.300 -0.006 0.000 2.816 85 C HA 0.319 4.777 4.460 -0.004 0.000 0.255 85 C C -1.785 173.168 174.990 -0.062 0.000 1.141 85 C CA -1.117 57.876 59.018 -0.042 0.000 1.554 85 C CB 1.061 28.800 27.740 -0.001 0.000 1.778 85 C HN 0.411 nan 8.230 nan 0.000 0.429 86 P HA 0.062 nan 4.420 nan 0.000 0.251 86 P C 0.057 177.422 177.300 0.107 0.000 1.223 86 P CA 0.575 63.611 63.100 -0.107 0.000 0.796 86 P CB 0.367 31.899 31.700 -0.279 0.000 1.068 87 F N 0.054 119.789 119.950 -0.359 0.000 2.492 87 F HA 0.435 4.960 4.527 -0.004 0.000 0.327 87 F C 0.747 176.429 175.800 -0.196 0.000 1.079 87 F CA -1.520 56.306 58.000 -0.290 0.000 0.967 87 F CB 1.836 40.600 39.000 -0.394 0.000 1.169 87 F HN -0.349 nan 8.300 nan 0.000 0.472 88 I N 3.985 124.542 120.570 -0.021 0.000 2.441 88 I HA 0.303 4.471 4.170 -0.004 0.000 0.295 88 I C -2.071 174.119 176.117 0.121 0.000 0.994 88 I CA -2.532 58.737 61.300 -0.050 0.000 1.144 88 I CB 1.664 39.492 38.000 -0.286 0.000 1.314 88 I HN 0.261 nan 8.210 nan 0.000 0.445 89 P HA 0.183 nan 4.420 nan 0.000 0.273 89 P C 0.651 177.967 177.300 0.027 0.000 1.250 89 P CA -0.426 62.708 63.100 0.057 0.000 0.793 89 P CB 1.160 32.890 31.700 0.051 0.000 1.011 90 R N 0.506 121.025 120.500 0.030 0.000 2.117 90 R HA -0.214 4.123 4.340 -0.004 0.000 0.243 90 R C 1.864 178.171 176.300 0.012 0.000 1.143 90 R CA 2.064 58.180 56.100 0.026 0.000 0.968 90 R CB -0.303 30.027 30.300 0.050 0.000 0.863 90 R HN 0.441 nan 8.270 nan 0.000 0.444 91 E N 0.136 120.349 120.200 0.022 0.000 2.085 91 E HA -0.176 4.172 4.350 -0.004 0.000 0.194 91 E C 1.857 178.459 176.600 0.003 0.000 0.994 91 E CA 1.566 57.982 56.400 0.026 0.000 0.801 91 E CB -0.263 29.463 29.700 0.044 0.000 0.743 91 E HN 0.474 nan 8.360 nan 0.000 0.453 92 A N 0.819 123.620 122.820 -0.032 0.000 1.873 92 A HA -0.022 4.296 4.320 -0.004 0.000 0.215 92 A C 2.493 179.821 177.584 -0.426 0.000 1.186 92 A CA 1.639 53.531 52.037 -0.241 0.000 0.616 92 A CB -1.293 17.621 19.000 -0.143 0.000 0.823 92 A HN 0.348 nan 8.150 nan 0.000 0.442 93 G N -0.409 108.279 108.800 -0.188 0.000 2.440 93 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.218 93 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.218 93 G C 1.432 176.259 174.900 -0.122 0.000 1.154 93 G CA 1.068 46.069 45.100 -0.165 0.000 0.767 93 G HN 0.658 nan 8.290 nan 0.000 0.552 94 E N 0.339 120.500 120.200 -0.064 0.000 2.106 94 E HA 0.033 4.381 4.350 -0.004 0.000 0.192 94 E C 2.845 179.438 176.600 -0.011 0.000 0.984 94 E CA 0.691 57.080 56.400 -0.019 0.000 0.806 94 E CB -0.113 29.592 29.700 0.008 0.000 0.750 94 E HN 0.430 nan 8.360 nan 0.000 0.458 95 A N 0.726 123.538 122.820 -0.013 0.000 2.016 95 A HA -0.110 4.208 4.320 -0.004 0.000 0.217 95 A C 0.769 178.374 177.584 0.035 0.000 1.162 95 A CA 0.127 52.201 52.037 0.063 0.000 0.662 95 A CB -0.399 18.734 19.000 0.222 0.000 0.812 95 A HN 0.308 nan 8.150 nan 0.000 0.450 96 Y N 2.619 122.737 120.300 -0.303 0.000 2.713 96 Y HA 0.166 4.714 4.550 -0.004 0.000 0.341 96 Y C 0.213 175.930 175.900 -0.304 0.000 1.167 96 Y CA -0.156 57.664 58.100 -0.467 0.000 1.503 96 Y CB 0.369 38.303 38.460 -0.878 0.000 1.199 96 Y HN 0.446 nan 8.280 nan 0.000 0.525 97 D N 4.182 124.286 120.400 -0.493 0.000 2.620 97 D HA 0.033 4.670 4.640 -0.004 0.000 0.260 97 D C -0.565 175.647 176.300 -0.146 0.000 1.367 97 D CA -0.374 53.515 54.000 -0.184 0.000 0.805 97 D CB -0.847 39.927 40.800 -0.043 0.000 1.096 97 D HN 0.138 nan 8.370 nan 0.000 0.488 98 F N 1.198 120.885 119.950 -0.440 0.000 2.545 98 F HA 0.282 4.807 4.527 -0.003 0.000 0.348 98 F C 1.245 176.980 175.800 -0.109 0.000 1.163 98 F CA -0.669 57.168 58.000 -0.271 0.000 1.331 98 F CB 0.389 39.148 39.000 -0.402 0.000 1.138 98 F HN -0.103 nan 8.300 nan 0.000 0.602 99 I N 3.913 124.540 120.570 0.094 0.000 2.474 99 I HA 0.222 4.390 4.170 -0.004 0.000 0.294 99 I C -1.787 174.334 176.117 0.006 0.000 1.005 99 I CA -1.788 59.467 61.300 -0.075 0.000 1.113 99 I CB 2.353 40.120 38.000 -0.389 0.000 1.289 99 I HN 0.347 nan 8.210 nan 0.000 0.436 100 P HA 0.057 nan 4.420 nan 0.000 0.251 100 P C 1.126 178.584 177.300 0.263 0.000 1.223 100 P CA 0.403 63.566 63.100 0.104 0.000 0.796 100 P CB 0.151 31.945 31.700 0.157 0.000 1.068 101 T N -0.366 114.369 114.554 0.302 0.000 2.803 101 T HA -0.144 4.204 4.350 -0.004 0.000 0.269 101 T C 1.694 176.519 174.700 0.208 0.000 1.052 101 T CA 2.028 64.303 62.100 0.292 0.000 1.136 101 T CB -0.764 68.311 68.868 0.346 0.000 0.864 101 T HN 0.292 nan 8.240 nan 0.000 0.467 102 S N -0.018 115.853 115.700 0.286 0.000 2.631 102 S HA 0.314 4.782 4.470 -0.004 0.000 0.217 102 S C 0.459 175.139 174.600 0.133 0.000 0.958 102 S CA -0.344 57.979 58.200 0.205 0.000 0.920 102 S CB -0.491 62.846 63.200 0.229 0.000 0.776 102 S HN 0.364 nan 8.310 nan 0.000 0.517 103 M N 1.703 121.408 119.600 0.176 0.000 2.578 103 M HA 0.523 5.001 4.480 -0.004 0.000 0.321 103 M C -1.000 175.430 176.300 0.216 0.000 1.182 103 M CA -0.688 54.706 55.300 0.157 0.000 0.965 103 M CB 1.531 34.204 32.600 0.122 0.000 1.694 103 M HN -0.001 nan 8.290 nan 0.000 0.461 104 D N 1.443 121.920 120.400 0.128 0.000 2.326 104 D HA 0.513 5.151 4.640 -0.004 0.000 0.248 104 D C -2.487 173.752 176.300 -0.102 0.000 1.001 104 D CA -1.266 52.771 54.000 0.062 0.000 0.961 104 D CB 1.393 42.249 40.800 0.094 0.000 1.183 104 D HN 0.152 nan 8.370 nan 0.000 0.502 105 P HA 0.120 nan 4.420 nan 0.000 0.272 105 P C -1.672 175.518 177.300 -0.184 0.000 1.230 105 P CA -0.804 62.066 63.100 -0.384 0.000 0.788 105 P CB 0.431 31.669 31.700 -0.771 0.000 0.949 106 P HA -0.092 nan 4.420 nan 0.000 0.224 106 P C 1.175 178.457 177.300 -0.030 0.000 1.157 106 P CA 1.043 64.109 63.100 -0.057 0.000 0.799 106 P CB 0.040 31.733 31.700 -0.012 0.000 0.809 107 E N 0.894 121.103 120.200 0.015 0.000 2.160 107 E HA -0.261 4.087 4.350 -0.004 0.000 0.195 107 E C 2.223 178.919 176.600 0.161 0.000 0.991 107 E CA 0.869 57.318 56.400 0.082 0.000 0.810 107 E CB -0.587 29.183 29.700 0.118 0.000 0.742 107 E HN 0.191 nan 8.360 nan 0.000 0.466 108 Q N 1.147 121.009 119.800 0.104 0.000 2.050 108 Q HA -0.229 4.109 4.340 -0.004 0.000 0.202 108 Q C 2.262 178.337 176.000 0.126 0.000 0.980 108 Q CA 1.682 57.571 55.803 0.142 0.000 0.840 108 Q CB -0.081 28.641 28.738 -0.027 0.000 0.898 108 Q HN 0.361 nan 8.270 nan 0.000 0.424 109 R N 0.489 120.981 120.500 -0.014 0.000 2.113 109 R HA -0.247 4.091 4.340 -0.004 0.000 0.244 109 R C 2.559 178.829 176.300 -0.050 0.000 1.142 109 R CA 2.255 58.326 56.100 -0.048 0.000 0.953 109 R CB -0.664 29.590 30.300 -0.078 0.000 0.860 109 R HN 0.591 nan 8.270 nan 0.000 0.438 110 Q N 0.027 119.753 119.800 -0.123 0.000 2.197 110 Q HA -0.185 4.153 4.340 -0.004 0.000 0.207 110 Q C 1.595 177.416 176.000 -0.298 0.000 0.984 110 Q CA 1.736 57.382 55.803 -0.261 0.000 0.869 110 Q CB -0.408 28.077 28.738 -0.422 0.000 0.906 110 Q HN 0.379 nan 8.270 nan 0.000 0.426 111 F N 0.809 120.748 119.950 -0.018 0.000 2.456 111 F HA 0.138 4.663 4.527 -0.003 0.000 0.298 111 F C 2.410 178.206 175.800 -0.006 0.000 1.104 111 F CA 0.437 58.434 58.000 -0.005 0.000 1.435 111 F CB 0.042 39.049 39.000 0.012 0.000 1.078 111 F HN -0.058 nan 8.300 nan 0.000 0.546 112 R N 0.339 120.916 120.500 0.128 0.000 2.096 112 R HA -0.132 4.206 4.340 -0.004 0.000 0.235 112 R C 2.469 178.792 176.300 0.039 0.000 1.127 112 R CA 1.176 57.317 56.100 0.067 0.000 0.968 112 R CB -0.674 29.636 30.300 0.015 0.000 0.861 112 R HN 0.280 nan 8.270 nan 0.000 0.440 113 A N 1.097 123.924 122.820 0.011 0.000 1.933 113 A HA -0.162 4.156 4.320 -0.004 0.000 0.218 113 A C 2.046 179.637 177.584 0.011 0.000 1.175 113 A CA 1.074 53.110 52.037 -0.002 0.000 0.628 113 A CB -0.401 18.582 19.000 -0.027 0.000 0.814 113 A HN 0.231 nan 8.150 nan 0.000 0.444 114 L N -0.325 120.913 121.223 0.025 0.000 2.056 114 L HA 0.007 4.345 4.340 -0.004 0.000 0.207 114 L C 2.661 179.562 176.870 0.052 0.000 1.078 114 L CA 2.112 56.975 54.840 0.038 0.000 0.749 114 L CB -0.831 41.266 42.059 0.064 0.000 0.901 114 L HN 0.326 nan 8.230 nan 0.000 0.433 115 A N -0.540 122.323 122.820 0.072 0.000 1.933 115 A HA -0.269 4.049 4.320 -0.004 0.000 0.218 115 A C 2.176 179.788 177.584 0.047 0.000 1.175 115 A CA 1.828 53.904 52.037 0.065 0.000 0.628 115 A CB -1.008 18.036 19.000 0.074 0.000 0.814 115 A HN 0.611 nan 8.150 nan 0.000 0.444 116 N N -0.320 118.404 118.700 0.039 0.000 2.289 116 N HA -0.166 4.572 4.740 -0.004 0.000 0.184 116 N C 1.832 177.358 175.510 0.026 0.000 1.016 116 N CA 1.500 54.570 53.050 0.034 0.000 0.872 116 N CB -0.266 38.237 38.487 0.028 0.000 0.973 116 N HN 0.625 nan 8.380 nan 0.000 0.433 117 Q N -0.768 119.044 119.800 0.020 0.000 2.226 117 Q HA -0.088 4.250 4.340 -0.004 0.000 0.204 117 Q C 1.669 177.674 176.000 0.008 0.000 0.975 117 Q CA 1.520 57.329 55.803 0.010 0.000 0.866 117 Q CB 0.198 28.940 28.738 0.006 0.000 0.915 117 Q HN 0.512 nan 8.270 nan 0.000 0.440 118 V N -3.565 116.359 119.914 0.016 0.000 3.621 118 V HA 0.096 4.214 4.120 -0.004 0.000 0.263 118 V C 1.383 177.488 176.094 0.018 0.000 1.272 118 V CA 0.457 62.762 62.300 0.008 0.000 1.080 118 V CB 0.739 32.567 31.823 0.008 0.000 0.816 118 V HN 0.192 nan 8.190 nan 0.000 0.451 119 V N -2.352 117.584 119.914 0.037 0.000 3.337 119 V HA 0.724 4.842 4.120 -0.004 0.000 0.307 119 V C 0.972 177.099 176.094 0.054 0.000 1.505 119 V CA 0.256 62.585 62.300 0.049 0.000 1.072 119 V CB -0.504 31.360 31.823 0.068 0.000 0.929 119 V HN 0.423 nan 8.190 nan 0.000 0.455 120 G N -0.185 108.647 108.800 0.053 0.000 2.588 120 G HA2 0.351 4.309 3.960 -0.004 0.000 0.278 120 G HA3 0.351 4.309 3.960 -0.004 0.000 0.278 120 G C 0.514 175.448 174.900 0.058 0.000 1.307 120 G CA 0.135 45.283 45.100 0.081 0.000 1.016 120 G HN 0.168 nan 8.290 nan 0.000 0.503 121 M N 0.595 120.200 119.600 0.008 0.000 2.073 121 M HA -0.041 4.437 4.480 -0.004 0.000 0.258 121 M C -0.183 176.089 176.300 -0.048 0.000 1.070 121 M CA 2.027 57.272 55.300 -0.092 0.000 1.103 121 M CB -0.998 31.449 32.600 -0.255 0.000 1.321 121 M HN 0.332 nan 8.290 nan 0.000 0.405 122 P HA -0.159 nan 4.420 nan 0.000 0.216 122 P C 1.691 178.982 177.300 -0.015 0.000 1.153 122 P CA 1.530 64.614 63.100 -0.027 0.000 0.858 122 P CB -0.175 31.511 31.700 -0.023 0.000 0.789 123 V N -0.802 119.108 119.914 -0.007 0.000 2.427 123 V HA -0.178 3.940 4.120 -0.004 0.000 0.248 123 V C 2.431 178.525 176.094 0.001 0.000 1.051 123 V CA 1.585 63.882 62.300 -0.005 0.000 1.048 123 V CB -1.144 30.678 31.823 -0.002 0.000 0.666 123 V HN -0.028 nan 8.190 nan 0.000 0.456 124 V N 0.191 120.111 119.914 0.010 0.000 2.295 124 V HA -0.261 3.857 4.120 -0.004 0.000 0.246 124 V C 2.306 178.409 176.094 0.015 0.000 1.049 124 V CA 2.219 64.531 62.300 0.020 0.000 1.024 124 V CB -0.746 31.100 31.823 0.039 0.000 0.648 124 V HN 0.514 nan 8.190 nan 0.000 0.447 125 D N -0.178 120.224 120.400 0.003 0.000 2.182 125 D HA -0.190 4.448 4.640 -0.004 0.000 0.201 125 D C 2.145 178.448 176.300 0.006 0.000 0.986 125 D CA 1.400 55.402 54.000 0.003 0.000 0.847 125 D CB -0.198 40.596 40.800 -0.010 0.000 0.942 125 D HN 0.470 nan 8.370 nan 0.000 0.467 126 K N 0.437 120.838 120.400 0.001 0.000 2.025 126 K HA -0.051 4.267 4.320 -0.004 0.000 0.207 126 K C 2.072 178.674 176.600 0.003 0.000 1.049 126 K CA 0.669 56.955 56.287 -0.001 0.000 0.933 126 K CB -0.095 32.400 32.500 -0.008 0.000 0.714 126 K HN 0.119 nan 8.250 nan 0.000 0.438 127 L N 0.999 122.225 121.223 0.004 0.000 2.395 127 L HA -0.068 4.270 4.340 -0.004 0.000 0.218 127 L C 2.256 179.142 176.870 0.026 0.000 1.130 127 L CA 0.596 55.440 54.840 0.006 0.000 0.826 127 L CB -0.369 41.688 42.059 -0.005 0.000 0.941 127 L HN 0.377 nan 8.230 nan 0.000 0.451 128 E N 1.456 121.676 120.200 0.034 0.000 2.119 128 E HA -0.355 3.993 4.350 -0.004 0.000 0.221 128 E C 1.688 178.326 176.600 0.062 0.000 1.062 128 E CA 2.636 59.068 56.400 0.053 0.000 0.894 128 E CB -0.219 29.508 29.700 0.044 0.000 0.785 128 E HN 0.531 nan 8.360 nan 0.000 0.472 129 N N -0.834 117.893 118.700 0.047 0.000 2.104 129 N HA -0.164 4.574 4.740 -0.004 0.000 0.190 129 N C 1.923 177.468 175.510 0.058 0.000 1.024 129 N CA 1.004 54.083 53.050 0.048 0.000 0.853 129 N CB -0.066 38.441 38.487 0.033 0.000 1.008 129 N HN 0.100 nan 8.380 nan 0.000 0.424 130 R N 1.035 121.564 120.500 0.049 0.000 2.092 130 R HA 0.012 4.350 4.340 -0.004 0.000 0.231 130 R C 2.129 178.483 176.300 0.089 0.000 1.119 130 R CA 0.655 56.786 56.100 0.052 0.000 0.970 130 R CB -0.827 29.488 30.300 0.024 0.000 0.864 130 R HN 0.396 nan 8.270 nan 0.000 0.440 131 I N 0.768 121.398 120.570 0.101 0.000 2.179 131 I HA -0.309 3.858 4.170 -0.004 0.000 0.242 131 I C 2.665 178.960 176.117 0.298 0.000 1.088 131 I CA 1.386 62.797 61.300 0.185 0.000 1.357 131 I CB -0.328 37.763 38.000 0.153 0.000 1.051 131 I HN 0.121 nan 8.210 nan 0.000 0.409 132 Q N 1.338 121.254 119.800 0.193 0.000 2.061 132 Q HA -0.286 4.052 4.340 -0.004 0.000 0.204 132 Q C 2.084 178.165 176.000 0.135 0.000 0.984 132 Q CA 2.102 57.999 55.803 0.157 0.000 0.846 132 Q CB -0.227 28.573 28.738 0.103 0.000 0.902 132 Q HN 0.455 nan 8.270 nan 0.000 0.421 133 E N -0.665 119.604 120.200 0.115 0.000 2.085 133 E HA -0.227 4.120 4.350 -0.004 0.000 0.194 133 E C 1.875 178.543 176.600 0.113 0.000 0.994 133 E CA 1.330 57.785 56.400 0.091 0.000 0.801 133 E CB -0.188 29.554 29.700 0.070 0.000 0.743 133 E HN 0.425 nan 8.360 nan 0.000 0.453 134 L N 0.748 122.071 121.223 0.166 0.000 2.056 134 L HA -0.035 4.302 4.340 -0.004 0.000 0.207 134 L C 2.274 179.268 176.870 0.207 0.000 1.078 134 L CA 2.064 57.022 54.840 0.197 0.000 0.749 134 L CB -0.717 41.493 42.059 0.251 0.000 0.901 134 L HN 0.179 nan 8.230 nan 0.000 0.433 135 A N -1.117 121.830 122.820 0.212 0.000 1.883 135 A HA -0.261 4.057 4.320 -0.004 0.000 0.217 135 A C 2.395 180.026 177.584 0.079 0.000 1.186 135 A CA 2.006 54.043 52.037 0.000 0.000 0.624 135 A CB -1.518 17.401 19.000 -0.136 0.000 0.822 135 A HN 0.623 nan 8.150 nan 0.000 0.444 136 C N -1.254 118.082 119.300 0.059 0.000 2.429 136 C HA -0.053 4.405 4.460 -0.004 0.000 0.277 136 C C 3.303 178.309 174.990 0.026 0.000 1.262 136 C CA 1.326 60.357 59.018 0.023 0.000 1.733 136 C CB -1.206 26.547 27.740 0.022 0.000 2.010 136 C HN 0.692 nan 8.230 nan 0.000 0.483 137 S N 0.312 116.045 115.700 0.054 0.000 2.356 137 S HA -0.083 4.384 4.470 -0.004 0.000 0.223 137 S C 1.769 176.406 174.600 0.061 0.000 1.032 137 S CA 1.360 59.591 58.200 0.050 0.000 1.005 137 S CB -0.282 62.953 63.200 0.059 0.000 0.867 137 S HN 0.599 nan 8.310 nan 0.000 0.449 138 L N 0.809 122.094 121.223 0.103 0.000 2.046 138 L HA -0.051 4.287 4.340 -0.004 0.000 0.208 138 L C 2.382 179.334 176.870 0.137 0.000 1.077 138 L CA 1.276 56.203 54.840 0.145 0.000 0.747 138 L CB -0.488 41.693 42.059 0.204 0.000 0.896 138 L HN 0.366 nan 8.230 nan 0.000 0.432 139 I N -0.384 120.237 120.570 0.085 0.000 2.315 139 I HA -0.242 3.926 4.170 -0.004 0.000 0.248 139 I C 2.567 178.581 176.117 -0.172 0.000 1.117 139 I CA 0.986 62.205 61.300 -0.135 0.000 1.404 139 I CB -0.213 37.618 38.000 -0.282 0.000 1.071 139 I HN 0.255 nan 8.210 nan 0.000 0.419 140 E N 0.798 120.943 120.200 -0.091 0.000 2.150 140 E HA -0.206 4.142 4.350 -0.004 0.000 0.193 140 E C 2.175 178.762 176.600 -0.022 0.000 0.985 140 E CA 1.490 57.847 56.400 -0.072 0.000 0.814 140 E CB -0.167 29.509 29.700 -0.041 0.000 0.752 140 E HN 0.226 nan 8.360 nan 0.000 0.466 141 S N -1.034 114.673 115.700 0.011 0.000 2.406 141 S HA 0.025 4.493 4.470 -0.004 0.000 0.228 141 S C 1.704 176.344 174.600 0.066 0.000 1.020 141 S CA 0.792 59.016 58.200 0.039 0.000 0.965 141 S CB -0.124 63.106 63.200 0.051 0.000 0.798 141 S HN 0.360 nan 8.310 nan 0.000 0.488 142 L N 0.581 121.852 121.223 0.080 0.000 2.249 142 L HA 0.169 4.507 4.340 -0.004 0.000 0.207 142 L C 2.673 179.713 176.870 0.283 0.000 1.090 142 L CA 0.568 55.516 54.840 0.180 0.000 0.802 142 L CB -0.518 41.679 42.059 0.231 0.000 0.947 142 L HN 0.255 nan 8.230 nan 0.000 0.453 143 R N 1.087 121.648 120.500 0.101 0.000 2.133 143 R HA -0.208 4.130 4.340 -0.004 0.000 0.245 143 R C -0.534 175.962 176.300 0.326 0.000 1.137 143 R CA 2.437 58.611 56.100 0.123 0.000 0.947 143 R CB -1.281 28.961 30.300 -0.098 0.000 0.865 143 R HN 0.251 nan 8.270 nan 0.000 0.437 144 P HA -0.109 nan 4.420 nan 0.000 0.226 144 P C 0.410 177.752 177.300 0.070 0.000 1.153 144 P CA 1.269 64.437 63.100 0.114 0.000 0.777 144 P CB -0.035 31.699 31.700 0.057 0.000 0.794 145 Q N -0.509 119.330 119.800 0.064 0.000 2.230 145 Q HA 0.059 4.397 4.340 -0.004 0.000 0.202 145 Q C 1.645 177.469 176.000 -0.293 0.000 0.963 145 Q CA 0.985 56.746 55.803 -0.070 0.000 0.866 145 Q CB -0.560 28.153 28.738 -0.041 0.000 0.931 145 Q HN 0.280 nan 8.270 nan 0.000 0.452 146 G N 1.499 109.968 108.800 -0.552 0.000 2.155 146 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.257 146 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.257 146 G C -0.059 173.870 174.900 -1.617 0.000 0.983 146 G CA 0.771 45.120 45.100 -1.252 0.000 0.676 146 G HN 0.481 nan 8.290 nan 0.000 0.528 147 Q N -1.895 117.010 119.800 -1.492 0.000 2.776 147 Q HA 0.604 4.942 4.340 -0.004 0.000 0.289 147 Q C -0.421 175.383 176.000 -0.328 0.000 0.912 147 Q CA -0.728 54.540 55.803 -0.893 0.000 0.789 147 Q CB 1.397 29.894 28.738 -0.402 0.000 1.498 147 Q HN 1.562 nan 8.270 nan 0.000 0.408 148 C N -0.777 118.537 119.300 0.022 0.000 3.292 148 C HA 0.653 5.111 4.460 -0.004 0.000 0.338 148 C C -1.694 173.422 174.990 0.210 0.000 1.323 148 C CA -0.804 58.341 59.018 0.211 0.000 1.232 148 C CB 0.859 28.880 27.740 0.469 0.000 1.517 148 C HN 1.033 nan 8.230 nan 0.000 0.470 149 N N 0.808 119.614 118.700 0.177 0.000 2.699 149 N HA 0.392 5.130 4.740 -0.004 0.000 0.232 149 N C 0.209 175.826 175.510 0.177 0.000 1.027 149 N CA -0.529 52.609 53.050 0.147 0.000 0.920 149 N CB 0.632 39.170 38.487 0.086 0.000 1.148 149 N HN 0.617 nan 8.380 nan 0.000 0.509 150 F N 2.042 122.041 119.950 0.082 0.000 2.115 150 F HA -0.310 4.215 4.527 -0.004 0.000 0.300 150 F C 2.579 178.408 175.800 0.048 0.000 1.092 150 F CA 1.951 59.982 58.000 0.052 0.000 1.245 150 F CB -0.291 38.662 39.000 -0.079 0.000 0.995 150 F HN 0.433 nan 8.300 nan 0.000 0.481 151 T N -1.403 113.175 114.554 0.040 0.000 2.708 151 T HA -0.275 4.073 4.350 -0.004 0.000 0.266 151 T C 1.673 176.314 174.700 -0.098 0.000 1.037 151 T CA 1.612 63.680 62.100 -0.054 0.000 1.146 151 T CB -0.863 68.003 68.868 -0.003 0.000 0.865 151 T HN 0.664 nan 8.240 nan 0.000 0.435 152 E N 0.847 121.022 120.200 -0.042 0.000 2.250 152 E HA -0.022 4.325 4.350 -0.004 0.000 0.192 152 E C 1.344 177.924 176.600 -0.034 0.000 0.986 152 E CA 0.749 57.130 56.400 -0.032 0.000 0.849 152 E CB -0.113 29.588 29.700 0.002 0.000 0.797 152 E HN 0.395 nan 8.360 nan 0.000 0.482 153 D N -0.689 119.700 120.400 -0.020 0.000 2.333 153 D HA -0.012 4.626 4.640 -0.004 0.000 0.208 153 D C 0.683 177.001 176.300 0.031 0.000 0.984 153 D CA 0.804 54.825 54.000 0.034 0.000 0.873 153 D CB 0.257 41.131 40.800 0.124 0.000 0.935 153 D HN 0.290 nan 8.370 nan 0.000 0.521 154 Y N -0.228 119.886 120.300 -0.310 0.000 3.147 154 Y HA 0.317 4.865 4.550 -0.004 0.000 0.219 154 Y C 1.992 177.660 175.900 -0.387 0.000 1.021 154 Y CA 0.570 58.452 58.100 -0.363 0.000 1.440 154 Y CB -0.213 37.928 38.460 -0.531 0.000 1.472 154 Y HN -0.151 nan 8.280 nan 0.000 0.408 155 A N 0.954 123.436 122.820 -0.564 0.000 1.958 155 A HA -0.236 4.081 4.320 -0.004 0.000 0.221 155 A C 1.781 179.282 177.584 -0.138 0.000 1.178 155 A CA 2.520 54.395 52.037 -0.270 0.000 0.642 155 A CB -0.597 18.266 19.000 -0.228 0.000 0.816 155 A HN 0.706 nan 8.150 nan 0.000 0.453 156 E N -0.956 119.153 120.200 -0.152 0.000 2.045 156 E HA -0.064 4.284 4.350 -0.004 0.000 0.190 156 E C -0.538 176.005 176.600 -0.095 0.000 0.968 156 E CA 0.587 56.930 56.400 -0.094 0.000 0.813 156 E CB -0.596 29.062 29.700 -0.069 0.000 0.780 156 E HN 0.491 nan 8.360 nan 0.000 0.455 157 P HA -0.208 nan 4.420 nan 0.000 0.216 157 P C 1.391 178.639 177.300 -0.086 0.000 1.150 157 P CA 1.196 64.248 63.100 -0.080 0.000 0.837 157 P CB -0.069 31.595 31.700 -0.061 0.000 0.786 158 F N 2.594 122.318 119.950 -0.377 0.000 2.031 158 F HA -0.060 4.465 4.527 -0.004 0.000 0.295 158 F C -0.844 174.850 175.800 -0.177 0.000 1.133 158 F CA 1.654 59.418 58.000 -0.393 0.000 1.188 158 F CB -2.000 36.493 39.000 -0.844 0.000 0.974 158 F HN -0.023 nan 8.300 nan 0.000 0.473 159 P HA -0.099 nan 4.420 nan 0.000 0.217 159 P C 2.109 179.307 177.300 -0.171 0.000 1.151 159 P CA 1.856 64.740 63.100 -0.361 0.000 0.828 159 P CB -0.080 31.536 31.700 -0.140 0.000 0.788 160 I N -0.768 119.742 120.570 -0.100 0.000 2.252 160 I HA -0.201 3.967 4.170 -0.004 0.000 0.245 160 I C 2.457 178.585 176.117 0.018 0.000 1.102 160 I CA 1.388 62.679 61.300 -0.015 0.000 1.385 160 I CB -0.435 37.551 38.000 -0.024 0.000 1.064 160 I HN -0.135 nan 8.210 nan 0.000 0.414 161 R N 0.414 120.892 120.500 -0.036 0.000 2.115 161 R HA -0.106 4.232 4.340 -0.004 0.000 0.230 161 R C 2.243 178.517 176.300 -0.043 0.000 1.111 161 R CA 1.046 57.132 56.100 -0.023 0.000 0.976 161 R CB -0.141 30.145 30.300 -0.022 0.000 0.870 161 R HN 0.279 nan 8.270 nan 0.000 0.445 162 I N 0.106 120.614 120.570 -0.102 0.000 2.252 162 I HA -0.257 3.911 4.170 -0.004 0.000 0.245 162 I C 2.143 178.226 176.117 -0.056 0.000 1.102 162 I CA 1.302 62.532 61.300 -0.116 0.000 1.385 162 I CB -0.845 37.013 38.000 -0.237 0.000 1.064 162 I HN 0.068 nan 8.210 nan 0.000 0.414 163 F N 1.334 121.212 119.950 -0.119 0.000 2.146 163 F HA -0.201 4.325 4.527 -0.002 0.000 0.298 163 F C 2.527 178.298 175.800 -0.049 0.000 1.096 163 F CA 1.419 59.371 58.000 -0.079 0.000 1.275 163 F CB -0.099 38.855 39.000 -0.077 0.000 1.008 163 F HN -0.090 nan 8.300 nan 0.000 0.480 164 M N -0.299 119.294 119.600 -0.012 0.000 2.159 164 M HA -0.128 4.349 4.480 -0.004 0.000 0.263 164 M C 2.248 178.462 176.300 -0.144 0.000 1.063 164 M CA 1.157 56.419 55.300 -0.062 0.000 1.110 164 M CB -1.501 31.123 32.600 0.041 0.000 1.374 164 M HN 0.365 nan 8.290 nan 0.000 0.411 165 L N 0.809 121.960 121.223 -0.121 0.000 1.994 165 L HA -0.126 4.212 4.340 -0.004 0.000 0.208 165 L C 2.293 179.067 176.870 -0.160 0.000 1.071 165 L CA 1.581 56.356 54.840 -0.107 0.000 0.745 165 L CB -1.059 40.955 42.059 -0.075 0.000 0.892 165 L HN 0.289 nan 8.230 nan 0.000 0.431 166 L N -0.418 120.669 121.223 -0.228 0.000 2.079 166 L HA -0.148 4.189 4.340 -0.004 0.000 0.210 166 L C 2.151 178.828 176.870 -0.321 0.000 1.081 166 L CA 1.700 56.385 54.840 -0.258 0.000 0.752 166 L CB -0.393 41.496 42.059 -0.284 0.000 0.896 166 L HN 0.365 nan 8.230 nan 0.000 0.433 167 A N -0.751 121.777 122.820 -0.487 0.000 2.251 167 A HA 0.283 4.601 4.320 -0.004 0.000 0.209 167 A C 1.484 178.956 177.584 -0.186 0.000 1.187 167 A CA 0.523 52.322 52.037 -0.397 0.000 0.823 167 A CB -0.537 18.094 19.000 -0.616 0.000 0.846 167 A HN 0.719 nan 8.150 nan 0.000 0.486 168 G N -0.437 108.273 108.800 -0.148 0.000 2.295 168 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.287 168 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.287 168 G C -0.157 174.723 174.900 -0.033 0.000 1.055 168 G CA 0.575 45.630 45.100 -0.076 0.000 0.922 168 G HN 0.488 nan 8.290 nan 0.000 0.503 169 L N 0.648 121.862 121.223 -0.016 0.000 2.334 169 L HA 0.544 4.881 4.340 -0.004 0.000 0.276 169 L C -1.625 175.281 176.870 0.059 0.000 1.014 169 L CA -2.514 52.363 54.840 0.062 0.000 0.815 169 L CB 2.097 44.242 42.059 0.144 0.000 1.268 169 L HN -0.029 nan 8.230 nan 0.000 0.428 170 P HA 0.059 nan 4.420 nan 0.000 0.271 170 P C -0.128 177.212 177.300 0.067 0.000 1.216 170 P CA -0.096 63.040 63.100 0.060 0.000 0.771 170 P CB 0.935 32.671 31.700 0.061 0.000 0.864 171 E N 1.850 122.077 120.200 0.044 0.000 2.265 171 E HA -0.203 4.145 4.350 -0.004 0.000 0.196 171 E C 1.472 178.099 176.600 0.045 0.000 0.996 171 E CA 1.128 57.552 56.400 0.040 0.000 0.832 171 E CB 0.039 29.754 29.700 0.026 0.000 0.756 171 E HN 0.670 nan 8.360 nan 0.000 0.491 172 E N 0.821 121.049 120.200 0.048 0.000 2.338 172 E HA -0.175 4.173 4.350 -0.004 0.000 0.197 172 E C 0.836 177.475 176.600 0.065 0.000 1.007 172 E CA 0.910 57.338 56.400 0.047 0.000 0.849 172 E CB 0.023 29.747 29.700 0.040 0.000 0.774 172 E HN 0.140 nan 8.360 nan 0.000 0.506 173 D N 0.725 121.178 120.400 0.088 0.000 2.349 173 D HA 0.084 4.722 4.640 -0.004 0.000 0.215 173 D C 1.729 178.068 176.300 0.065 0.000 1.016 173 D CA 0.161 54.228 54.000 0.112 0.000 0.870 173 D CB 0.033 40.948 40.800 0.193 0.000 0.917 173 D HN 0.259 nan 8.370 nan 0.000 0.524 174 I N 1.482 122.082 120.570 0.049 0.000 2.151 174 I HA -0.236 3.932 4.170 -0.004 0.000 0.243 174 I C -0.585 175.548 176.117 0.026 0.000 1.080 174 I CA 1.336 62.650 61.300 0.024 0.000 1.339 174 I CB -1.268 36.745 38.000 0.023 0.000 1.039 174 I HN 0.017 nan 8.210 nan 0.000 0.409 175 P HA -0.220 nan 4.420 nan 0.000 0.215 175 P C 1.492 178.850 177.300 0.096 0.000 1.157 175 P CA 1.684 64.821 63.100 0.060 0.000 0.874 175 P CB -0.066 31.667 31.700 0.055 0.000 0.790 176 H N -0.528 118.545 119.070 0.005 0.000 2.326 176 H HA -0.034 4.520 4.556 -0.004 0.000 0.301 176 H C 1.807 177.133 175.328 -0.004 0.000 1.081 176 H CA 1.484 57.541 56.048 0.015 0.000 1.334 176 H CB -1.000 28.756 29.762 -0.009 0.000 1.385 176 H HN -0.052 nan 8.280 nan 0.000 0.504 177 L N -0.103 121.026 121.223 -0.156 0.000 2.083 177 L HA -0.131 4.207 4.340 -0.004 0.000 0.209 177 L C 2.488 179.243 176.870 -0.192 0.000 1.083 177 L CA 1.518 56.191 54.840 -0.279 0.000 0.752 177 L CB -0.399 41.498 42.059 -0.271 0.000 0.899 177 L HN 0.205 nan 8.230 nan 0.000 0.433 178 K N 0.037 120.379 120.400 -0.097 0.000 2.097 178 K HA -0.238 4.080 4.320 -0.004 0.000 0.205 178 K C 2.105 178.666 176.600 -0.066 0.000 1.050 178 K CA 1.457 57.701 56.287 -0.072 0.000 0.938 178 K CB -0.552 31.932 32.500 -0.027 0.000 0.718 178 K HN 0.246 nan 8.250 nan 0.000 0.442 179 Y N 0.710 120.931 120.300 -0.132 0.000 2.145 179 Y HA -0.119 4.429 4.550 -0.004 0.000 0.286 179 Y C 1.566 177.376 175.900 -0.151 0.000 1.145 179 Y CA 1.784 59.814 58.100 -0.118 0.000 1.148 179 Y CB -0.223 38.173 38.460 -0.106 0.000 0.981 179 Y HN 0.009 nan 8.280 nan 0.000 0.507 180 L N -0.793 120.206 121.223 -0.373 0.000 2.017 180 L HA -0.242 4.096 4.340 -0.004 0.000 0.208 180 L C 2.391 179.052 176.870 -0.349 0.000 1.073 180 L CA 1.909 56.490 54.840 -0.431 0.000 0.745 180 L CB -1.110 40.740 42.059 -0.348 0.000 0.894 180 L HN 0.199 nan 8.230 nan 0.000 0.432 181 T N -0.718 113.686 114.554 -0.250 0.000 2.684 181 T HA -0.208 4.140 4.350 -0.004 0.000 0.267 181 T C 1.418 176.046 174.700 -0.120 0.000 1.036 181 T CA 1.749 63.755 62.100 -0.156 0.000 1.148 181 T CB -0.299 68.488 68.868 -0.134 0.000 0.863 181 T HN 0.306 nan 8.240 nan 0.000 0.436 182 D N 0.814 121.115 120.400 -0.164 0.000 2.218 182 D HA -0.056 4.582 4.640 -0.004 0.000 0.204 182 D C 2.327 178.543 176.300 -0.140 0.000 0.976 182 D CA 0.649 54.577 54.000 -0.120 0.000 0.853 182 D CB -0.214 40.516 40.800 -0.117 0.000 0.939 182 D HN 0.279 nan 8.370 nan 0.000 0.481 183 Q N -0.596 119.034 119.800 -0.282 0.000 2.369 183 Q HA 0.080 4.418 4.340 -0.004 0.000 0.206 183 Q C 1.938 177.895 176.000 -0.071 0.000 0.963 183 Q CA 0.473 56.129 55.803 -0.244 0.000 0.894 183 Q CB -0.106 28.390 28.738 -0.404 0.000 0.965 183 Q HN 0.448 nan 8.270 nan 0.000 0.475 184 M N -0.433 119.161 119.600 -0.010 0.000 2.514 184 M HA -0.022 4.456 4.480 -0.004 0.000 0.258 184 M C 1.571 178.137 176.300 0.443 0.000 1.119 184 M CA 1.367 56.818 55.300 0.253 0.000 1.111 184 M CB 0.202 32.910 32.600 0.180 0.000 1.390 184 M HN 0.212 nan 8.290 nan 0.000 0.475 185 T N -2.548 112.154 114.554 0.247 0.000 3.026 185 T HA 0.212 4.560 4.350 -0.004 0.000 0.245 185 T C 1.064 175.909 174.700 0.241 0.000 1.004 185 T CA -0.212 62.019 62.100 0.218 0.000 1.069 185 T CB 0.247 69.203 68.868 0.147 0.000 1.005 185 T HN 0.230 nan 8.240 nan 0.000 0.472 186 R N 2.333 122.932 120.500 0.165 0.000 2.653 186 R HA 0.323 4.661 4.340 -0.004 0.000 0.269 186 R C -2.957 173.377 176.300 0.055 0.000 1.603 186 R CA -1.635 54.568 56.100 0.172 0.000 1.671 186 R CB 1.225 31.606 30.300 0.135 0.000 1.300 186 R HN 0.365 nan 8.270 nan 0.000 0.668 187 P HA -0.076 nan 4.420 nan 0.000 0.264 187 P C -0.288 176.980 177.300 -0.052 0.000 1.183 187 P CA 0.408 63.465 63.100 -0.072 0.000 0.763 187 P CB 0.834 32.462 31.700 -0.120 0.000 0.807 188 D N 1.715 122.097 120.400 -0.029 0.000 2.323 188 D HA 0.074 4.712 4.640 -0.004 0.000 0.209 188 D C 1.456 177.759 176.300 0.004 0.000 0.973 188 D CA 0.796 54.802 54.000 0.011 0.000 0.874 188 D CB -0.310 40.526 40.800 0.060 0.000 0.930 188 D HN 0.602 nan 8.370 nan 0.000 0.521 189 G N -0.215 108.577 108.800 -0.013 0.000 2.253 189 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.209 189 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.209 189 G C 1.265 176.172 174.900 0.011 0.000 0.997 189 G CA 0.536 45.628 45.100 -0.013 0.000 0.640 189 G HN 0.616 nan 8.290 nan 0.000 0.496 190 S N -0.475 115.251 115.700 0.043 0.000 2.489 190 S HA 0.501 4.969 4.470 -0.004 0.000 0.228 190 S C 0.943 175.582 174.600 0.064 0.000 0.995 190 S CA 1.028 59.269 58.200 0.068 0.000 0.934 190 S CB 0.076 63.349 63.200 0.122 0.000 0.771 190 S HN 0.524 nan 8.310 nan 0.000 0.522 191 M N 1.981 121.603 119.600 0.037 0.000 2.446 191 M HA 0.331 4.808 4.480 -0.004 0.000 0.294 191 M C -0.557 175.734 176.300 -0.015 0.000 1.158 191 M CA -0.568 54.739 55.300 0.011 0.000 0.899 191 M CB 2.625 35.221 32.600 -0.006 0.000 1.687 191 M HN 0.219 nan 8.290 nan 0.000 0.455 192 T N -1.452 113.101 114.554 -0.003 0.000 2.816 192 T HA 0.284 4.632 4.350 -0.004 0.000 0.282 192 T C 0.750 175.467 174.700 0.028 0.000 0.993 192 T CA -0.497 61.618 62.100 0.026 0.000 0.994 192 T CB 0.900 69.793 68.868 0.042 0.000 1.025 192 T HN 0.589 nan 8.240 nan 0.000 0.529 193 F N 1.420 121.350 119.950 -0.035 0.000 2.095 193 F HA 0.008 4.532 4.527 -0.004 0.000 0.298 193 F C 2.574 178.327 175.800 -0.079 0.000 1.104 193 F CA 1.874 59.854 58.000 -0.032 0.000 1.232 193 F CB -0.937 38.078 39.000 0.024 0.000 0.987 193 F HN 0.733 nan 8.300 nan 0.000 0.475 194 A N 0.164 123.057 122.820 0.121 0.000 1.908 194 A HA -0.238 4.080 4.320 -0.004 0.000 0.218 194 A C 2.087 179.600 177.584 -0.118 0.000 1.181 194 A CA 2.041 54.084 52.037 0.010 0.000 0.627 194 A CB -0.928 18.118 19.000 0.077 0.000 0.818 194 A HN 0.602 nan 8.150 nan 0.000 0.445 195 E N -0.342 119.808 120.200 -0.083 0.000 2.072 195 E HA -0.061 4.287 4.350 -0.004 0.000 0.191 195 E C 2.309 178.827 176.600 -0.138 0.000 0.985 195 E CA 0.880 57.236 56.400 -0.074 0.000 0.801 195 E CB -0.283 29.401 29.700 -0.026 0.000 0.750 195 E HN 0.627 nan 8.360 nan 0.000 0.452 196 A N 1.791 124.473 122.820 -0.230 0.000 1.898 196 A HA -0.208 4.110 4.320 -0.004 0.000 0.216 196 A C 2.081 179.430 177.584 -0.392 0.000 1.181 196 A CA 1.453 53.312 52.037 -0.297 0.000 0.620 196 A CB -0.334 18.443 19.000 -0.371 0.000 0.819 196 A HN 0.046 nan 8.150 nan 0.000 0.442 197 K N -0.524 119.520 120.400 -0.594 0.000 2.026 197 K HA -0.179 4.139 4.320 -0.004 0.000 0.208 197 K C 1.798 178.059 176.600 -0.566 0.000 1.048 197 K CA 1.522 57.379 56.287 -0.717 0.000 0.929 197 K CB -0.122 31.848 32.500 -0.884 0.000 0.713 197 K HN 0.340 nan 8.250 nan 0.000 0.439 198 E N 0.333 120.352 120.200 -0.301 0.000 2.110 198 E HA -0.159 4.189 4.350 -0.004 0.000 0.193 198 E C 1.866 178.461 176.600 -0.008 0.000 0.988 198 E CA 1.156 57.504 56.400 -0.087 0.000 0.804 198 E CB -0.235 29.456 29.700 -0.015 0.000 0.745 198 E HN 0.426 nan 8.360 nan 0.000 0.458 199 A N 0.976 123.771 122.820 -0.040 0.000 1.930 199 A HA -0.126 4.192 4.320 -0.004 0.000 0.217 199 A C 2.230 179.868 177.584 0.089 0.000 1.175 199 A CA 1.062 53.130 52.037 0.052 0.000 0.627 199 A CB -0.495 18.531 19.000 0.044 0.000 0.815 199 A HN 0.240 nan 8.150 nan 0.000 0.443 200 L N -1.592 119.611 121.223 -0.034 0.000 2.093 200 L HA -0.100 4.238 4.340 -0.004 0.000 0.208 200 L C 2.198 179.208 176.870 0.234 0.000 1.085 200 L CA 1.775 56.628 54.840 0.022 0.000 0.755 200 L CB -0.715 41.273 42.059 -0.119 0.000 0.904 200 L HN 0.451 nan 8.230 nan 0.000 0.435 201 Y N -0.513 119.846 120.300 0.098 0.000 2.314 201 Y HA -0.164 4.384 4.550 -0.003 0.000 0.293 201 Y C 2.487 178.447 175.900 0.101 0.000 1.129 201 Y CA 1.003 59.160 58.100 0.096 0.000 1.201 201 Y CB -0.996 37.498 38.460 0.056 0.000 0.999 201 Y HN 0.373 nan 8.280 nan 0.000 0.541 202 D N -1.019 119.541 120.400 0.267 0.000 2.144 202 D HA -0.253 4.385 4.640 -0.004 0.000 0.199 202 D C 2.129 178.545 176.300 0.193 0.000 0.984 202 D CA 1.114 55.226 54.000 0.187 0.000 0.834 202 D CB -0.333 40.564 40.800 0.161 0.000 0.955 202 D HN 0.350 nan 8.370 nan 0.000 0.465 203 Y N 0.407 120.787 120.300 0.133 0.000 2.163 203 Y HA -0.027 4.521 4.550 -0.004 0.000 0.288 203 Y C 1.936 177.896 175.900 0.100 0.000 1.136 203 Y CA 1.418 59.591 58.100 0.122 0.000 1.147 203 Y CB -0.197 38.360 38.460 0.161 0.000 0.987 203 Y HN -0.008 nan 8.280 nan 0.000 0.509 204 L N -0.463 120.900 121.223 0.233 0.000 2.109 204 L HA -0.164 4.174 4.340 -0.004 0.000 0.207 204 L C 2.388 179.265 176.870 0.013 0.000 1.086 204 L CA 0.904 55.814 54.840 0.117 0.000 0.760 204 L CB -0.510 41.689 42.059 0.233 0.000 0.910 204 L HN 0.273 nan 8.230 nan 0.000 0.437 205 I N 0.566 121.155 120.570 0.032 0.000 2.087 205 I HA -0.277 3.891 4.170 -0.004 0.000 0.240 205 I C -0.148 175.949 176.117 -0.035 0.000 1.054 205 I CA 1.889 63.184 61.300 -0.008 0.000 1.311 205 I CB -1.558 36.447 38.000 0.008 0.000 1.024 205 I HN 0.267 nan 8.210 nan 0.000 0.402 206 P HA -0.131 nan 4.420 nan 0.000 0.219 206 P C 1.867 179.121 177.300 -0.078 0.000 1.150 206 P CA 1.668 64.731 63.100 -0.063 0.000 0.814 206 P CB -0.088 31.569 31.700 -0.072 0.000 0.787 207 I N -0.518 119.985 120.570 -0.112 0.000 2.252 207 I HA -0.198 3.970 4.170 -0.004 0.000 0.245 207 I C 2.667 178.749 176.117 -0.058 0.000 1.102 207 I CA 1.250 62.486 61.300 -0.106 0.000 1.385 207 I CB -0.557 37.350 38.000 -0.155 0.000 1.064 207 I HN -0.179 nan 8.210 nan 0.000 0.414 208 I N 0.543 121.088 120.570 -0.042 0.000 2.226 208 I HA -0.270 3.898 4.170 -0.004 0.000 0.245 208 I C 2.641 178.741 176.117 -0.028 0.000 1.100 208 I CA 1.248 62.532 61.300 -0.026 0.000 1.374 208 I CB -0.287 37.700 38.000 -0.021 0.000 1.057 208 I HN 0.223 nan 8.210 nan 0.000 0.413 209 E N 1.134 121.315 120.200 -0.032 0.000 2.077 209 E HA -0.295 4.053 4.350 -0.004 0.000 0.193 209 E C 2.097 178.680 176.600 -0.027 0.000 0.989 209 E CA 1.617 58.000 56.400 -0.027 0.000 0.800 209 E CB -0.252 29.431 29.700 -0.028 0.000 0.746 209 E HN 0.439 nan 8.360 nan 0.000 0.452 210 Q N -0.124 119.656 119.800 -0.033 0.000 2.084 210 Q HA -0.137 4.201 4.340 -0.004 0.000 0.202 210 Q C 1.966 177.949 176.000 -0.028 0.000 0.978 210 Q CA 1.488 57.271 55.803 -0.032 0.000 0.844 210 Q CB -0.013 28.700 28.738 -0.040 0.000 0.898 210 Q HN 0.186 nan 8.270 nan 0.000 0.426 211 R N -0.633 119.850 120.500 -0.028 0.000 2.299 211 R HA 0.052 4.390 4.340 -0.004 0.000 0.197 211 R C 2.017 178.306 176.300 -0.018 0.000 0.971 211 R CA 0.371 56.456 56.100 -0.024 0.000 1.030 211 R CB 0.154 30.439 30.300 -0.024 0.000 0.932 211 R HN 0.168 nan 8.270 nan 0.000 0.477 212 R N -0.157 120.333 120.500 -0.017 0.000 2.173 212 R HA 0.034 4.372 4.340 -0.004 0.000 0.208 212 R C 1.901 178.193 176.300 -0.014 0.000 1.035 212 R CA 0.553 56.645 56.100 -0.014 0.000 1.004 212 R CB 0.268 30.561 30.300 -0.013 0.000 0.917 212 R HN 0.111 nan 8.270 nan 0.000 0.462 213 Q N 0.689 120.480 119.800 -0.016 0.000 2.096 213 Q HA 0.009 4.347 4.340 -0.004 0.000 0.197 213 Q C 0.054 176.045 176.000 -0.015 0.000 0.964 213 Q CA 1.264 57.058 55.803 -0.015 0.000 0.838 213 Q CB 0.452 29.180 28.738 -0.016 0.000 0.906 213 Q HN 0.188 nan 8.270 nan 0.000 0.444 214 K N 0.926 121.316 120.400 -0.016 0.000 2.752 214 K HA 0.393 4.711 4.320 -0.004 0.000 0.199 214 K C -2.688 173.901 176.600 -0.017 0.000 1.069 214 K CA -1.552 54.725 56.287 -0.016 0.000 1.033 214 K CB 1.698 34.188 32.500 -0.017 0.000 1.229 214 K HN -0.102 nan 8.250 nan 0.000 0.572 215 P HA -0.019 nan 4.420 nan 0.000 0.266 215 P C 0.139 177.429 177.300 -0.018 0.000 1.195 215 P CA 0.114 63.205 63.100 -0.017 0.000 0.768 215 P CB 0.951 32.642 31.700 -0.014 0.000 0.838 216 G N 0.436 109.223 108.800 -0.021 0.000 3.107 216 G HA2 0.472 4.430 3.960 -0.004 0.000 0.232 216 G HA3 0.472 4.430 3.960 -0.004 0.000 0.232 216 G C 0.325 175.210 174.900 -0.024 0.000 1.339 216 G CA -0.302 44.785 45.100 -0.023 0.000 1.033 216 G HN 0.415 nan 8.290 nan 0.000 0.567 217 T N -1.662 112.875 114.554 -0.028 0.000 3.054 217 T HA 0.189 4.537 4.350 -0.004 0.000 0.255 217 T C 0.454 175.131 174.700 -0.039 0.000 1.035 217 T CA 0.281 62.363 62.100 -0.029 0.000 0.941 217 T CB -0.301 68.551 68.868 -0.027 0.000 1.026 217 T HN 0.594 nan 8.240 nan 0.000 0.533 218 D N 1.034 121.406 120.400 -0.046 0.000 2.358 218 D HA 0.320 4.958 4.640 -0.004 0.000 0.244 218 D C 1.448 177.708 176.300 -0.066 0.000 1.163 218 D CA -0.111 53.848 54.000 -0.067 0.000 0.945 218 D CB 1.456 42.213 40.800 -0.072 0.000 1.152 218 D HN 0.098 nan 8.370 nan 0.000 0.451 219 A N 1.393 124.156 122.820 -0.095 0.000 1.908 219 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 219 A C 2.368 179.927 177.584 -0.042 0.000 1.181 219 A CA 1.176 53.167 52.037 -0.076 0.000 0.627 219 A CB -0.769 18.156 19.000 -0.125 0.000 0.818 219 A HN 0.681 nan 8.150 nan 0.000 0.445 220 I N -0.460 120.083 120.570 -0.045 0.000 2.252 220 I HA -0.211 3.957 4.170 -0.004 0.000 0.245 220 I C 2.659 178.769 176.117 -0.011 0.000 1.102 220 I CA 1.405 62.697 61.300 -0.012 0.000 1.385 220 I CB -0.365 37.632 38.000 -0.004 0.000 1.064 220 I HN 0.229 nan 8.210 nan 0.000 0.414 221 S N 0.980 116.667 115.700 -0.022 0.000 2.368 221 S HA -0.118 4.350 4.470 -0.004 0.000 0.225 221 S C 2.014 176.607 174.600 -0.012 0.000 1.030 221 S CA 1.287 59.477 58.200 -0.018 0.000 0.999 221 S CB -0.297 62.889 63.200 -0.023 0.000 0.844 221 S HN 0.325 nan 8.310 nan 0.000 0.459 222 I N 0.994 121.555 120.570 -0.014 0.000 2.179 222 I HA -0.149 4.019 4.170 -0.004 0.000 0.242 222 I C 2.178 178.298 176.117 0.005 0.000 1.088 222 I CA 0.930 62.226 61.300 -0.007 0.000 1.357 222 I CB -0.482 37.512 38.000 -0.011 0.000 1.051 222 I HN 0.149 nan 8.210 nan 0.000 0.409 223 V N 1.008 120.928 119.914 0.011 0.000 2.307 223 V HA -0.253 3.865 4.120 -0.004 0.000 0.245 223 V C 2.691 178.802 176.094 0.028 0.000 1.045 223 V CA 1.966 64.283 62.300 0.029 0.000 1.024 223 V CB -0.949 30.896 31.823 0.036 0.000 0.651 223 V HN 0.493 nan 8.190 nan 0.000 0.449 224 A N 0.198 123.027 122.820 0.015 0.000 2.019 224 A HA -0.195 4.122 4.320 -0.004 0.000 0.219 224 A C 1.746 179.335 177.584 0.008 0.000 1.164 224 A CA 2.145 54.189 52.037 0.011 0.000 0.644 224 A CB -0.598 18.402 19.000 0.000 0.000 0.805 224 A HN 0.693 nan 8.150 nan 0.000 0.449 225 N N -0.956 117.747 118.700 0.005 0.000 2.187 225 N HA 0.293 5.031 4.740 -0.004 0.000 0.212 225 N C 0.735 176.247 175.510 0.002 0.000 1.152 225 N CA 0.375 53.426 53.050 0.001 0.000 0.872 225 N CB 0.672 39.156 38.487 -0.005 0.000 1.025 225 N HN 0.405 nan 8.380 nan 0.000 0.514 226 G N -0.090 108.715 108.800 0.009 0.000 2.621 226 G HA2 0.341 4.299 3.960 -0.004 0.000 0.271 226 G HA3 0.341 4.299 3.960 -0.004 0.000 0.271 226 G C -0.432 174.468 174.900 0.000 0.000 1.236 226 G CA -0.288 44.815 45.100 0.006 0.000 0.958 226 G HN 0.089 nan 8.290 nan 0.000 0.512 227 Q N -1.611 118.180 119.800 -0.015 0.000 2.387 227 Q HA 0.541 4.879 4.340 -0.004 0.000 0.273 227 Q C -0.940 175.019 176.000 -0.068 0.000 1.089 227 Q CA -0.964 54.818 55.803 -0.035 0.000 0.824 227 Q CB 2.827 31.543 28.738 -0.037 0.000 1.367 227 Q HN 0.538 nan 8.270 nan 0.000 0.443 228 V N -0.895 118.948 119.914 -0.118 0.000 2.483 228 V HA 0.430 4.548 4.120 -0.004 0.000 0.297 228 V C -0.167 175.808 176.094 -0.200 0.000 1.027 228 V CA -0.753 61.413 62.300 -0.223 0.000 0.855 228 V CB 1.285 32.828 31.823 -0.466 0.000 0.995 228 V HN 1.004 nan 8.190 nan 0.000 0.424 229 N N 3.155 121.754 118.700 -0.169 0.000 2.721 229 N HA -0.230 4.508 4.740 -0.004 0.000 0.249 229 N C 1.177 176.632 175.510 -0.091 0.000 1.072 229 N CA 0.750 53.724 53.050 -0.127 0.000 0.710 229 N CB -0.951 37.449 38.487 -0.145 0.000 0.993 229 N HN 1.911 nan 8.380 nan 0.000 0.547 230 G N -0.536 108.219 108.800 -0.076 0.000 2.179 230 G HA2 -0.364 3.594 3.960 -0.004 0.000 0.260 230 G HA3 -0.364 3.594 3.960 -0.004 0.000 0.260 230 G C 0.092 174.963 174.900 -0.048 0.000 0.977 230 G CA 1.010 46.078 45.100 -0.054 0.000 0.641 230 G HN 0.734 nan 8.290 nan 0.000 0.533 231 R N -0.732 119.733 120.500 -0.058 0.000 2.854 231 R HA 0.768 5.106 4.340 -0.004 0.000 0.271 231 R C -3.255 173.022 176.300 -0.037 0.000 0.996 231 R CA -2.634 53.440 56.100 -0.043 0.000 0.961 231 R CB 0.259 30.535 30.300 -0.041 0.000 1.182 231 R HN 0.045 nan 8.270 nan 0.000 0.479 232 P HA 0.023 nan 4.420 nan 0.000 0.264 232 P C -0.357 176.947 177.300 0.007 0.000 1.193 232 P CA -0.072 63.024 63.100 -0.007 0.000 0.763 232 P CB 0.450 32.148 31.700 -0.003 0.000 0.810 233 I N 2.873 123.456 120.570 0.022 0.000 2.696 233 I HA 0.119 4.287 4.170 -0.004 0.000 0.284 233 I C 0.713 176.863 176.117 0.055 0.000 1.129 233 I CA -0.043 61.297 61.300 0.067 0.000 1.410 233 I CB 0.873 38.929 38.000 0.093 0.000 1.399 233 I HN 0.380 nan 8.210 nan 0.000 0.579 234 T N 2.250 116.846 114.554 0.070 0.000 2.874 234 T HA 0.204 4.552 4.350 -0.004 0.000 0.281 234 T C 1.039 175.749 174.700 0.017 0.000 0.994 234 T CA -0.482 61.639 62.100 0.036 0.000 1.015 234 T CB 1.577 70.466 68.868 0.034 0.000 1.028 234 T HN 0.662 nan 8.240 nan 0.000 0.523 235 S N 0.481 116.179 115.700 -0.003 0.000 2.370 235 S HA -0.137 4.331 4.470 -0.004 0.000 0.226 235 S C 1.653 176.224 174.600 -0.049 0.000 1.033 235 S CA 1.699 59.886 58.200 -0.022 0.000 1.011 235 S CB -0.643 62.541 63.200 -0.026 0.000 0.852 235 S HN 0.947 nan 8.310 nan 0.000 0.457 236 D N 0.655 121.022 120.400 -0.056 0.000 2.144 236 D HA -0.075 4.563 4.640 -0.004 0.000 0.200 236 D C 1.998 178.234 176.300 -0.106 0.000 0.978 236 D CA 1.035 54.973 54.000 -0.103 0.000 0.833 236 D CB -0.025 40.727 40.800 -0.081 0.000 0.961 236 D HN 0.437 nan 8.370 nan 0.000 0.470 237 E N -0.215 119.958 120.200 -0.044 0.000 2.077 237 E HA -0.145 4.203 4.350 -0.004 0.000 0.193 237 E C 2.102 178.681 176.600 -0.035 0.000 0.989 237 E CA 0.923 57.299 56.400 -0.040 0.000 0.800 237 E CB -0.128 29.629 29.700 0.094 0.000 0.746 237 E HN 0.319 nan 8.360 nan 0.000 0.452 238 A N 1.696 124.514 122.820 -0.003 0.000 1.902 238 A HA -0.249 4.069 4.320 -0.004 0.000 0.217 238 A C 2.060 179.629 177.584 -0.026 0.000 1.181 238 A CA 1.641 53.681 52.037 0.005 0.000 0.623 238 A CB -0.395 18.610 19.000 0.009 0.000 0.818 238 A HN 0.073 nan 8.150 nan 0.000 0.443 239 K N -0.317 120.033 120.400 -0.082 0.000 2.026 239 K HA -0.156 4.162 4.320 -0.004 0.000 0.208 239 K C 2.206 178.744 176.600 -0.104 0.000 1.048 239 K CA 1.483 57.688 56.287 -0.136 0.000 0.929 239 K CB -0.201 32.112 32.500 -0.311 0.000 0.713 239 K HN 0.437 nan 8.250 nan 0.000 0.439 240 R N 0.087 120.509 120.500 -0.131 0.000 2.152 240 R HA -0.081 4.256 4.340 -0.004 0.000 0.232 240 R C 2.343 178.688 176.300 0.075 0.000 1.117 240 R CA 1.573 57.712 56.100 0.065 0.000 0.981 240 R CB -0.170 30.122 30.300 -0.013 0.000 0.870 240 R HN 0.359 nan 8.270 nan 0.000 0.451 241 M N -0.446 119.145 119.600 -0.016 0.000 2.248 241 M HA -0.089 4.389 4.480 -0.004 0.000 0.265 241 M C 1.798 178.073 176.300 -0.040 0.000 1.079 241 M CA 1.368 56.650 55.300 -0.029 0.000 1.150 241 M CB 0.118 32.721 32.600 0.006 0.000 1.366 241 M HN 0.189 nan 8.290 nan 0.000 0.433 242 C N 0.803 120.104 119.300 0.002 0.000 2.422 242 C HA -0.022 4.436 4.460 -0.004 0.000 0.279 242 C C 2.735 177.712 174.990 -0.022 0.000 1.305 242 C CA 0.986 60.024 59.018 0.033 0.000 1.757 242 C CB -1.856 25.928 27.740 0.074 0.000 1.962 242 C HN 0.814 nan 8.230 nan 0.000 0.499 243 G N 0.460 109.228 108.800 -0.054 0.000 2.418 243 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.217 243 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.217 243 G C 1.514 175.903 174.900 -0.852 0.000 1.158 243 G CA 0.983 45.940 45.100 -0.238 0.000 0.771 243 G HN 0.470 nan 8.290 nan 0.000 0.545 244 L N 0.572 121.166 121.223 -1.048 0.000 2.046 244 L HA 0.091 4.429 4.340 -0.004 0.000 0.208 244 L C 2.682 179.314 176.870 -0.397 0.000 1.077 244 L CA 1.361 55.663 54.840 -0.896 0.000 0.747 244 L CB -0.468 41.324 42.059 -0.445 0.000 0.896 244 L HN 0.211 nan 8.230 nan 0.000 0.432 245 L N -1.365 119.728 121.223 -0.216 0.000 2.042 245 L HA -0.236 4.102 4.340 -0.004 0.000 0.210 245 L C 2.529 179.209 176.870 -0.316 0.000 1.076 245 L CA 0.744 55.538 54.840 -0.076 0.000 0.749 245 L CB -0.708 41.450 42.059 0.166 0.000 0.893 245 L HN 0.316 nan 8.230 nan 0.000 0.432 246 L N -0.475 120.588 121.223 -0.265 0.000 2.017 246 L HA -0.184 4.153 4.340 -0.004 0.000 0.208 246 L C 2.606 179.174 176.870 -0.503 0.000 1.073 246 L CA 1.600 56.175 54.840 -0.443 0.000 0.745 246 L CB -0.909 41.066 42.059 -0.141 0.000 0.894 246 L HN 0.123 nan 8.230 nan 0.000 0.432 247 V N -0.034 119.669 119.914 -0.351 0.000 2.343 247 V HA -0.202 3.916 4.120 -0.004 0.000 0.247 247 V C 2.670 178.636 176.094 -0.213 0.000 1.051 247 V CA 1.771 63.939 62.300 -0.219 0.000 1.036 247 V CB -1.284 30.483 31.823 -0.093 0.000 0.654 247 V HN 0.554 nan 8.190 nan 0.000 0.451 248 G N 0.041 108.696 108.800 -0.242 0.000 2.418 248 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.217 248 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.217 248 G C 1.583 176.321 174.900 -0.270 0.000 1.158 248 G CA 0.911 45.905 45.100 -0.177 0.000 0.771 248 G HN 0.596 nan 8.290 nan 0.000 0.545 249 G N 0.073 108.514 108.800 -0.598 0.000 2.464 249 G HA2 0.087 4.045 3.960 -0.004 0.000 0.217 249 G HA3 0.087 4.045 3.960 -0.004 0.000 0.217 249 G C 1.457 176.107 174.900 -0.417 0.000 1.138 249 G CA 0.453 45.146 45.100 -0.678 0.000 0.793 249 G HN 0.341 nan 8.290 nan 0.000 0.539 250 L N -0.465 120.526 121.223 -0.388 0.000 2.590 250 L HA 0.372 4.710 4.340 -0.004 0.000 0.227 250 L C 0.677 177.475 176.870 -0.120 0.000 1.099 250 L CA 0.660 55.373 54.840 -0.212 0.000 0.872 250 L CB 0.742 42.678 42.059 -0.205 0.000 1.088 250 L HN 0.045 nan 8.230 nan 0.000 0.479 251 D N -2.081 118.260 120.400 -0.099 0.000 2.837 251 D HA 0.123 4.760 4.640 -0.004 0.000 0.340 251 D C 1.046 177.352 176.300 0.009 0.000 1.451 251 D CA 0.809 54.789 54.000 -0.033 0.000 0.798 251 D CB 0.510 41.301 40.800 -0.015 0.000 1.169 251 D HN 0.229 nan 8.370 nan 0.000 0.449 252 T N -4.321 110.241 114.554 0.014 0.000 3.447 252 T HA 0.076 4.424 4.350 -0.004 0.000 0.218 252 T C 1.807 176.579 174.700 0.120 0.000 0.972 252 T CA 0.496 62.632 62.100 0.060 0.000 1.264 252 T CB -0.520 68.377 68.868 0.048 0.000 1.284 252 T HN -0.167 nan 8.240 nan 0.000 0.361 253 V N 2.471 122.457 119.914 0.120 0.000 2.392 253 V HA -0.155 3.963 4.120 -0.004 0.000 0.249 253 V C 2.925 179.139 176.094 0.201 0.000 1.059 253 V CA 1.645 64.068 62.300 0.205 0.000 1.051 253 V CB -1.002 30.918 31.823 0.161 0.000 0.658 253 V HN 0.440 nan 8.190 nan 0.000 0.455 254 V N 0.850 120.823 119.914 0.099 0.000 2.282 254 V HA -0.304 3.814 4.120 -0.004 0.000 0.249 254 V C 2.283 178.406 176.094 0.049 0.000 1.057 254 V CA 2.441 64.773 62.300 0.053 0.000 1.032 254 V CB -0.760 31.060 31.823 -0.005 0.000 0.645 254 V HN 0.637 nan 8.190 nan 0.000 0.447 255 N N -0.796 117.939 118.700 0.057 0.000 2.207 255 N HA -0.084 4.654 4.740 -0.004 0.000 0.182 255 N C 1.790 177.317 175.510 0.028 0.000 1.020 255 N CA 1.358 54.396 53.050 -0.019 0.000 0.858 255 N CB -0.372 38.138 38.487 0.038 0.000 0.991 255 N HN 0.532 nan 8.380 nan 0.000 0.427 256 F N 2.400 122.419 119.950 0.114 0.000 2.126 256 F HA -0.079 4.446 4.527 -0.003 0.000 0.299 256 F C 2.135 178.025 175.800 0.149 0.000 1.096 256 F CA 1.002 59.127 58.000 0.207 0.000 1.255 256 F CB -0.169 38.911 39.000 0.134 0.000 0.997 256 F HN -0.087 nan 8.300 nan 0.000 0.479 257 L N -0.666 120.607 121.223 0.083 0.000 2.079 257 L HA -0.269 4.069 4.340 -0.004 0.000 0.210 257 L C 2.527 179.384 176.870 -0.022 0.000 1.081 257 L CA 1.508 56.393 54.840 0.074 0.000 0.752 257 L CB -0.929 41.340 42.059 0.350 0.000 0.896 257 L HN 0.101 nan 8.230 nan 0.000 0.433 258 S N -0.597 115.090 115.700 -0.021 0.000 2.383 258 S HA -0.102 4.366 4.470 -0.004 0.000 0.227 258 S C 1.752 176.119 174.600 -0.388 0.000 1.026 258 S CA 1.105 59.231 58.200 -0.124 0.000 0.981 258 S CB -0.270 62.828 63.200 -0.169 0.000 0.818 258 S HN 0.218 nan 8.310 nan 0.000 0.472 259 F N 2.149 121.852 119.950 -0.412 0.000 2.134 259 F HA -0.071 4.453 4.527 -0.004 0.000 0.299 259 F C 2.746 178.003 175.800 -0.906 0.000 1.097 259 F CA 0.831 58.447 58.000 -0.640 0.000 1.264 259 F CB -0.951 37.681 39.000 -0.613 0.000 1.001 259 F HN 0.098 nan 8.300 nan 0.000 0.479 260 S N -0.442 114.864 115.700 -0.658 0.000 2.368 260 S HA -0.160 4.308 4.470 -0.004 0.000 0.224 260 S C 2.094 176.488 174.600 -0.343 0.000 1.029 260 S CA 1.112 58.989 58.200 -0.539 0.000 0.988 260 S CB -0.225 62.671 63.200 -0.507 0.000 0.838 260 S HN 0.181 nan 8.310 nan 0.000 0.462 261 M N 1.272 120.582 119.600 -0.482 0.000 2.254 261 M HA 0.016 4.494 4.480 -0.004 0.000 0.265 261 M C 2.157 178.230 176.300 -0.379 0.000 1.066 261 M CA 1.054 55.983 55.300 -0.619 0.000 1.123 261 M CB -1.174 30.561 32.600 -1.443 0.000 1.388 261 M HN 0.437 nan 8.290 nan 0.000 0.425 262 E N -0.100 119.906 120.200 -0.324 0.000 2.051 262 E HA -0.231 4.117 4.350 -0.004 0.000 0.192 262 E C 2.025 178.557 176.600 -0.114 0.000 0.991 262 E CA 1.176 57.476 56.400 -0.167 0.000 0.799 262 E CB -0.211 29.434 29.700 -0.091 0.000 0.748 262 E HN 0.394 nan 8.360 nan 0.000 0.449 263 F N 1.357 121.124 119.950 -0.304 0.000 2.069 263 F HA -0.191 4.333 4.527 -0.004 0.000 0.298 263 F C 2.019 177.743 175.800 -0.127 0.000 1.113 263 F CA 1.478 59.353 58.000 -0.209 0.000 1.214 263 F CB -0.175 38.658 39.000 -0.278 0.000 0.978 263 F HN -0.004 nan 8.300 nan 0.000 0.474 264 L N 0.147 121.259 121.223 -0.186 0.000 2.083 264 L HA -0.217 4.121 4.340 -0.004 0.000 0.209 264 L C 2.784 179.422 176.870 -0.388 0.000 1.083 264 L CA 1.084 55.782 54.840 -0.237 0.000 0.752 264 L CB -1.163 40.928 42.059 0.053 0.000 0.899 264 L HN 0.317 nan 8.230 nan 0.000 0.433 265 A N -0.043 122.638 122.820 -0.231 0.000 2.015 265 A HA -0.170 4.148 4.320 -0.004 0.000 0.219 265 A C 2.193 179.606 177.584 -0.286 0.000 1.163 265 A CA 1.377 53.243 52.037 -0.284 0.000 0.646 265 A CB -0.205 18.842 19.000 0.078 0.000 0.806 265 A HN 0.354 nan 8.150 nan 0.000 0.448 266 K N -0.861 119.371 120.400 -0.280 0.000 2.393 266 K HA 0.136 4.454 4.320 -0.004 0.000 0.193 266 K C 0.208 176.624 176.600 -0.307 0.000 1.026 266 K CA 0.443 56.586 56.287 -0.240 0.000 1.064 266 K CB 0.345 32.745 32.500 -0.167 0.000 0.833 266 K HN 0.226 nan 8.250 nan 0.000 0.521 267 S N 1.237 116.668 115.700 -0.449 0.000 2.259 267 S HA 0.270 4.738 4.470 -0.004 0.000 0.181 267 S C -2.339 172.121 174.600 -0.232 0.000 1.589 267 S CA -1.735 56.246 58.200 -0.364 0.000 1.234 267 S CB 0.764 63.582 63.200 -0.637 0.000 1.119 267 S HN -0.131 nan 8.310 nan 0.000 0.458 268 P HA -0.109 nan 4.420 nan 0.000 0.216 268 P C 0.996 178.250 177.300 -0.077 0.000 1.150 268 P CA 1.103 64.116 63.100 -0.146 0.000 0.843 268 P CB 0.253 31.882 31.700 -0.119 0.000 0.787 269 E N -1.545 118.619 120.200 -0.060 0.000 2.058 269 E HA -0.207 4.141 4.350 -0.004 0.000 0.194 269 E C 1.938 178.490 176.600 -0.079 0.000 0.997 269 E CA 1.452 57.806 56.400 -0.077 0.000 0.801 269 E CB -1.132 28.498 29.700 -0.117 0.000 0.746 269 E HN 0.475 nan 8.360 nan 0.000 0.450 270 H N -0.261 118.784 119.070 -0.041 0.000 2.423 270 H HA 0.101 4.655 4.556 -0.004 0.000 0.297 270 H C 1.964 177.417 175.328 0.209 0.000 1.075 270 H CA 1.255 57.357 56.048 0.089 0.000 1.342 270 H CB 0.152 29.965 29.762 0.086 0.000 1.395 270 H HN 0.004 nan 8.280 nan 0.000 0.530 271 R N 0.137 120.734 120.500 0.163 0.000 2.070 271 R HA -0.175 4.163 4.340 -0.004 0.000 0.233 271 R C 2.244 178.606 176.300 0.102 0.000 1.137 271 R CA 1.482 57.647 56.100 0.108 0.000 0.945 271 R CB -0.247 30.023 30.300 -0.050 0.000 0.845 271 R HN 0.269 nan 8.270 nan 0.000 0.430 272 Q N 1.244 121.074 119.800 0.051 0.000 2.135 272 Q HA -0.217 4.121 4.340 -0.004 0.000 0.204 272 Q C 1.811 177.852 176.000 0.068 0.000 0.981 272 Q CA 1.928 57.754 55.803 0.039 0.000 0.856 272 Q CB -0.122 28.620 28.738 0.006 0.000 0.902 272 Q HN 0.377 nan 8.270 nan 0.000 0.425 273 E N -0.687 119.573 120.200 0.101 0.000 2.051 273 E HA -0.183 4.165 4.350 -0.004 0.000 0.192 273 E C 1.733 178.425 176.600 0.153 0.000 0.991 273 E CA 1.302 57.783 56.400 0.134 0.000 0.799 273 E CB -0.161 29.657 29.700 0.196 0.000 0.748 273 E HN 0.471 nan 8.360 nan 0.000 0.449 274 L N 0.510 121.842 121.223 0.182 0.000 2.291 274 L HA -0.066 4.272 4.340 -0.004 0.000 0.214 274 L C 2.376 179.292 176.870 0.077 0.000 1.120 274 L CA 0.384 55.289 54.840 0.107 0.000 0.799 274 L CB -0.197 41.913 42.059 0.084 0.000 0.925 274 L HN 0.248 nan 8.230 nan 0.000 0.446 275 I N -0.238 120.380 120.570 0.080 0.000 2.286 275 I HA -0.208 3.959 4.170 -0.004 0.000 0.245 275 I C 2.271 178.415 176.117 0.045 0.000 1.104 275 I CA 1.243 62.577 61.300 0.058 0.000 1.397 275 I CB -0.120 37.911 38.000 0.052 0.000 1.072 275 I HN 0.247 nan 8.210 nan 0.000 0.417 276 E N 0.836 121.064 120.200 0.047 0.000 2.158 276 E HA -0.033 4.315 4.350 -0.004 0.000 0.191 276 E C 0.487 177.110 176.600 0.040 0.000 0.982 276 E CA 0.604 57.026 56.400 0.038 0.000 0.823 276 E CB 0.202 29.923 29.700 0.035 0.000 0.766 276 E HN 0.421 nan 8.360 nan 0.000 0.468 277 R N 0.465 120.995 120.500 0.050 0.000 2.629 277 R HA 0.181 4.519 4.340 -0.004 0.000 0.277 277 R C -2.331 173.994 176.300 0.043 0.000 1.637 277 R CA -1.318 54.810 56.100 0.047 0.000 1.663 277 R CB 1.006 31.340 30.300 0.057 0.000 1.228 277 R HN -0.032 nan 8.270 nan 0.000 0.632 278 P HA -0.248 nan 4.420 nan 0.000 0.218 278 P C 1.170 178.483 177.300 0.022 0.000 1.146 278 P CA 1.103 64.220 63.100 0.027 0.000 0.813 278 P CB 0.278 31.995 31.700 0.027 0.000 0.778 279 E N 0.354 120.570 120.200 0.026 0.000 2.401 279 E HA -0.181 4.167 4.350 -0.004 0.000 0.199 279 E C 1.385 177.999 176.600 0.023 0.000 1.023 279 E CA 1.042 57.457 56.400 0.025 0.000 0.859 279 E CB -0.624 29.093 29.700 0.028 0.000 0.780 279 E HN 0.327 nan 8.360 nan 0.000 0.523 280 R N 0.168 120.679 120.500 0.019 0.000 2.317 280 R HA 0.287 4.624 4.340 -0.004 0.000 0.208 280 R C 2.268 178.530 176.300 -0.063 0.000 0.914 280 R CA 0.020 56.125 56.100 0.008 0.000 1.060 280 R CB -0.060 30.268 30.300 0.046 0.000 1.015 280 R HN 0.198 nan 8.270 nan 0.000 0.498 281 I N 1.529 122.065 120.570 -0.056 0.000 2.208 281 I HA -0.207 3.960 4.170 -0.004 0.000 0.245 281 I C -0.801 175.281 176.117 -0.059 0.000 1.097 281 I CA 1.443 62.690 61.300 -0.088 0.000 1.363 281 I CB -0.975 37.010 38.000 -0.024 0.000 1.051 281 I HN 0.032 nan 8.210 nan 0.000 0.413 282 P HA -0.153 nan 4.420 nan 0.000 0.216 282 P C 1.482 178.799 177.300 0.028 0.000 1.153 282 P CA 1.725 64.843 63.100 0.029 0.000 0.848 282 P CB 0.004 31.730 31.700 0.043 0.000 0.787 283 A N -0.100 122.729 122.820 0.015 0.000 1.930 283 A HA -0.068 4.250 4.320 -0.004 0.000 0.217 283 A C 2.288 179.884 177.584 0.020 0.000 1.175 283 A CA 1.886 53.950 52.037 0.045 0.000 0.627 283 A CB -1.558 17.483 19.000 0.068 0.000 0.815 283 A HN 0.180 nan 8.150 nan 0.000 0.443 284 A N -0.934 121.785 122.820 -0.169 0.000 1.902 284 A HA -0.206 4.112 4.320 -0.004 0.000 0.217 284 A C 2.392 179.915 177.584 -0.102 0.000 1.181 284 A CA 1.657 53.404 52.037 -0.483 0.000 0.623 284 A CB -1.448 16.812 19.000 -1.234 0.000 0.818 284 A HN 0.868 nan 8.150 nan 0.000 0.443 285 C N -0.567 118.721 119.300 -0.021 0.000 2.413 285 C HA -0.135 4.323 4.460 -0.004 0.000 0.276 285 C C 2.583 177.651 174.990 0.130 0.000 1.236 285 C CA 1.889 60.974 59.018 0.111 0.000 1.735 285 C CB -1.044 26.766 27.740 0.116 0.000 2.031 285 C HN 0.684 nan 8.230 nan 0.000 0.474 286 E N 0.638 120.904 120.200 0.109 0.000 2.072 286 E HA -0.187 4.161 4.350 -0.004 0.000 0.191 286 E C 2.049 178.709 176.600 0.100 0.000 0.985 286 E CA 1.818 58.289 56.400 0.119 0.000 0.801 286 E CB -0.367 29.427 29.700 0.156 0.000 0.750 286 E HN 0.786 nan 8.360 nan 0.000 0.452 287 E N -0.070 120.216 120.200 0.145 0.000 2.106 287 E HA -0.113 4.235 4.350 -0.004 0.000 0.192 287 E C 1.871 178.524 176.600 0.089 0.000 0.984 287 E CA 1.070 57.556 56.400 0.143 0.000 0.806 287 E CB -0.273 29.597 29.700 0.282 0.000 0.750 287 E HN 0.347 nan 8.360 nan 0.000 0.458 288 L N -0.050 121.292 121.223 0.199 0.000 2.093 288 L HA -0.090 4.248 4.340 -0.004 0.000 0.208 288 L C 2.428 179.526 176.870 0.379 0.000 1.085 288 L CA 0.688 55.715 54.840 0.312 0.000 0.755 288 L CB -0.337 41.984 42.059 0.436 0.000 0.904 288 L HN 0.209 nan 8.230 nan 0.000 0.435 289 L N -0.521 120.787 121.223 0.142 0.000 2.191 289 L HA -0.191 4.147 4.340 -0.004 0.000 0.212 289 L C 2.821 179.438 176.870 -0.421 0.000 1.103 289 L CA 1.014 55.662 54.840 -0.319 0.000 0.769 289 L CB -0.394 41.284 42.059 -0.635 0.000 0.908 289 L HN 0.267 nan 8.230 nan 0.000 0.438 290 R N 0.187 120.494 120.500 -0.322 0.000 2.052 290 R HA -0.158 4.180 4.340 -0.004 0.000 0.226 290 R C 2.475 178.601 176.300 -0.290 0.000 1.145 290 R CA 1.123 57.048 56.100 -0.291 0.000 0.952 290 R CB -0.069 30.170 30.300 -0.103 0.000 0.847 290 R HN 0.041 nan 8.270 nan 0.000 0.431 291 R N 0.069 120.352 120.500 -0.361 0.000 2.096 291 R HA -0.076 4.262 4.340 -0.004 0.000 0.235 291 R C 0.577 176.328 176.300 -0.915 0.000 1.127 291 R CA 1.608 57.294 56.100 -0.690 0.000 0.968 291 R CB -0.240 29.465 30.300 -0.991 0.000 0.861 291 R HN 0.258 nan 8.270 nan 0.000 0.440 292 F N 0.278 120.126 119.950 -0.170 0.000 2.923 292 F HA 0.396 4.921 4.527 -0.004 0.000 0.314 292 F C 0.397 176.072 175.800 -0.209 0.000 1.196 292 F CA -0.584 57.257 58.000 -0.264 0.000 1.320 292 F CB 0.316 39.162 39.000 -0.257 0.000 0.953 292 F HN -0.123 nan 8.300 nan 0.000 0.505 293 S N 1.786 117.371 115.700 -0.192 0.000 2.563 293 S HA 0.205 4.673 4.470 -0.004 0.000 0.284 293 S C 0.885 175.309 174.600 -0.294 0.000 1.331 293 S CA -0.064 57.979 58.200 -0.261 0.000 1.047 293 S CB 0.503 63.516 63.200 -0.311 0.000 0.859 293 S HN 0.578 nan 8.310 nan 0.000 0.514 294 L N 2.115 123.188 121.223 -0.251 0.000 3.515 294 L HA 0.572 4.910 4.340 -0.004 0.000 0.322 294 L C -0.814 175.906 176.870 -0.251 0.000 1.225 294 L CA -0.557 54.137 54.840 -0.243 0.000 1.104 294 L CB 0.195 42.254 42.059 0.001 0.000 1.506 294 L HN 0.321 nan 8.230 nan 0.000 0.624 295 V N 1.810 121.567 119.914 -0.262 0.000 2.612 295 V HA 0.841 4.959 4.120 -0.004 0.000 0.301 295 V C 0.277 176.190 176.094 -0.301 0.000 1.046 295 V CA 0.063 62.226 62.300 -0.229 0.000 0.946 295 V CB 1.505 33.242 31.823 -0.143 0.000 1.003 295 V HN 0.344 nan 8.190 nan 0.000 0.459 296 A N 3.238 125.891 122.820 -0.278 0.000 2.768 296 A HA 0.651 4.969 4.320 -0.004 0.000 0.298 296 A C -0.725 176.760 177.584 -0.165 0.000 1.159 296 A CA -0.632 51.260 52.037 -0.241 0.000 0.783 296 A CB 0.502 19.236 19.000 -0.445 0.000 1.333 296 A HN 0.846 nan 8.150 nan 0.000 0.412 297 D N 1.165 121.516 120.400 -0.081 0.000 2.726 297 D HA 0.867 5.505 4.640 -0.004 0.000 0.241 297 D C 0.547 176.867 176.300 0.033 0.000 1.150 297 D CA 0.077 54.018 54.000 -0.098 0.000 1.089 297 D CB 1.010 41.769 40.800 -0.069 0.000 1.260 297 D HN 0.889 nan 8.370 nan 0.000 0.637 298 G N -1.805 107.028 108.800 0.054 0.000 2.588 298 G HA2 0.542 4.500 3.960 -0.004 0.000 0.281 298 G HA3 0.542 4.500 3.960 -0.004 0.000 0.281 298 G C -1.124 173.804 174.900 0.046 0.000 1.223 298 G CA -0.711 44.410 45.100 0.035 0.000 0.871 298 G HN 0.453 nan 8.290 nan 0.000 0.492 299 R N -1.229 119.288 120.500 0.028 0.000 2.831 299 R HA 0.658 4.996 4.340 -0.004 0.000 0.266 299 R C -1.437 174.946 176.300 0.138 0.000 1.051 299 R CA -0.749 55.406 56.100 0.092 0.000 0.943 299 R CB 1.636 32.020 30.300 0.141 0.000 1.228 299 R HN 0.607 nan 8.270 nan 0.000 0.467 300 I N 1.304 121.964 120.570 0.149 0.000 2.509 300 I HA 0.274 4.442 4.170 -0.004 0.000 0.293 300 I C -0.661 175.538 176.117 0.136 0.000 1.020 300 I CA -1.044 60.346 61.300 0.150 0.000 1.088 300 I CB 1.334 39.395 38.000 0.101 0.000 1.267 300 I HN 0.222 nan 8.210 nan 0.000 0.430 301 L N 6.506 127.814 121.223 0.141 0.000 2.462 301 L HA 0.103 4.441 4.340 -0.004 0.000 0.272 301 L C 1.577 178.451 176.870 0.007 0.000 1.166 301 L CA 0.510 55.368 54.840 0.030 0.000 0.880 301 L CB 0.940 43.046 42.059 0.079 0.000 1.142 301 L HN 0.808 nan 8.230 nan 0.000 0.473 302 T N -1.550 112.969 114.554 -0.059 0.000 3.081 302 T HA 0.070 4.418 4.350 -0.004 0.000 0.255 302 T C 0.715 175.396 174.700 -0.032 0.000 1.113 302 T CA 0.440 62.515 62.100 -0.041 0.000 1.082 302 T CB 0.146 68.967 68.868 -0.079 0.000 0.939 302 T HN 0.638 nan 8.240 nan 0.000 0.506 303 S N -0.375 115.311 115.700 -0.024 0.000 2.611 303 S HA 0.452 4.920 4.470 -0.004 0.000 0.268 303 S C -2.103 172.517 174.600 0.034 0.000 1.156 303 S CA -1.152 57.053 58.200 0.008 0.000 0.817 303 S CB 0.960 64.167 63.200 0.011 0.000 1.122 303 S HN 0.039 nan 8.310 nan 0.000 0.466 304 D N 1.121 121.545 120.400 0.040 0.000 2.455 304 D HA 0.475 5.113 4.640 -0.004 0.000 0.241 304 D C -0.932 175.437 176.300 0.115 0.000 1.138 304 D CA 1.005 55.034 54.000 0.048 0.000 0.877 304 D CB 0.157 40.970 40.800 0.022 0.000 1.187 304 D HN 0.525 nan 8.370 nan 0.000 0.451 305 Y N 0.712 120.950 120.300 -0.103 0.000 2.442 305 Y HA 0.158 4.706 4.550 -0.003 0.000 0.330 305 Y C -1.199 174.633 175.900 -0.114 0.000 1.100 305 Y CA -0.965 57.026 58.100 -0.182 0.000 1.034 305 Y CB 1.279 39.498 38.460 -0.401 0.000 1.285 305 Y HN 0.256 nan 8.280 nan 0.000 0.440 306 E N 6.180 126.088 120.200 -0.487 0.000 2.130 306 E HA 0.262 4.610 4.350 -0.004 0.000 0.284 306 E C -1.618 174.542 176.600 -0.733 0.000 1.018 306 E CA -0.396 55.741 56.400 -0.438 0.000 0.817 306 E CB 1.386 30.937 29.700 -0.249 0.000 1.078 306 E HN 0.390 nan 8.360 nan 0.000 0.396 307 F N 3.514 123.081 119.950 -0.639 0.000 2.460 307 F HA 0.183 4.708 4.527 -0.004 0.000 0.341 307 F C 0.197 175.906 175.800 -0.152 0.000 1.130 307 F CA -0.758 56.971 58.000 -0.452 0.000 0.962 307 F CB 0.347 39.230 39.000 -0.195 0.000 1.171 307 F HN 0.528 nan 8.300 nan 0.000 0.436 308 H N 4.084 122.818 119.070 -0.560 0.000 2.626 308 H HA -0.191 4.363 4.556 -0.004 0.000 0.317 308 H C 1.409 176.581 175.328 -0.260 0.000 1.140 308 H CA 1.104 56.878 56.048 -0.457 0.000 1.134 308 H CB -1.038 28.356 29.762 -0.613 0.000 1.486 308 H HN 1.174 nan 8.280 nan 0.000 0.417 309 G N -1.039 107.666 108.800 -0.159 0.000 2.162 309 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.260 309 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.260 309 G C 0.244 175.105 174.900 -0.064 0.000 0.976 309 G CA 0.358 45.402 45.100 -0.093 0.000 0.655 309 G HN 0.490 nan 8.290 nan 0.000 0.533 310 V N 0.465 120.319 119.914 -0.100 0.000 2.448 310 V HA 0.586 4.704 4.120 -0.004 0.000 0.295 310 V C 0.311 176.321 176.094 -0.139 0.000 1.025 310 V CA -0.841 61.390 62.300 -0.115 0.000 0.859 310 V CB 1.840 33.532 31.823 -0.217 0.000 0.988 310 V HN 0.355 nan 8.190 nan 0.000 0.431 311 Q N 4.498 124.270 119.800 -0.047 0.000 2.296 311 Q HA 0.452 4.790 4.340 -0.004 0.000 0.263 311 Q C -1.125 174.924 176.000 0.081 0.000 1.026 311 Q CA 0.376 56.185 55.803 0.009 0.000 0.912 311 Q CB 0.558 29.346 28.738 0.084 0.000 1.198 311 Q HN 0.682 nan 8.270 nan 0.000 0.407 312 L N 3.810 125.036 121.223 0.005 0.000 2.322 312 L HA 0.585 4.923 4.340 -0.004 0.000 0.279 312 L C 0.136 177.079 176.870 0.122 0.000 1.036 312 L CA -1.097 53.801 54.840 0.097 0.000 0.807 312 L CB 1.378 43.411 42.059 -0.042 0.000 1.226 312 L HN 0.395 nan 8.230 nan 0.000 0.433 313 K N 1.916 122.406 120.400 0.150 0.000 2.156 313 K HA 0.318 4.636 4.320 -0.004 0.000 0.254 313 K C -0.579 176.060 176.600 0.065 0.000 0.950 313 K CA -0.901 55.364 56.287 -0.035 0.000 0.849 313 K CB 2.071 34.341 32.500 -0.383 0.000 1.100 313 K HN 0.410 nan 8.250 nan 0.000 0.434 314 K N 0.119 120.535 120.400 0.027 0.000 2.484 314 K HA 0.044 4.362 4.320 -0.004 0.000 0.280 314 K C 0.761 177.406 176.600 0.075 0.000 1.013 314 K CA 1.506 57.820 56.287 0.046 0.000 1.029 314 K CB -0.040 32.473 32.500 0.023 0.000 0.902 314 K HN 0.757 nan 8.250 nan 0.000 0.481 315 G N 3.016 111.878 108.800 0.103 0.000 2.258 315 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.233 315 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.233 315 G C -0.402 174.618 174.900 0.200 0.000 1.006 315 G CA 0.097 45.272 45.100 0.125 0.000 0.620 315 G HN 0.722 nan 8.290 nan 0.000 0.511 316 D N 1.759 122.329 120.400 0.284 0.000 2.443 316 D HA 0.414 5.052 4.640 -0.004 0.000 0.239 316 D C 0.810 177.356 176.300 0.410 0.000 1.136 316 D CA 0.561 54.837 54.000 0.460 0.000 0.879 316 D CB 0.576 41.825 40.800 0.749 0.000 1.195 316 D HN 0.504 nan 8.370 nan 0.000 0.443 317 Q N 0.917 120.944 119.800 0.378 0.000 2.230 317 Q HA 0.595 4.933 4.340 -0.004 0.000 0.253 317 Q C -0.379 175.841 176.000 0.365 0.000 0.919 317 Q CA -0.608 55.358 55.803 0.271 0.000 0.908 317 Q CB 2.444 31.263 28.738 0.134 0.000 1.245 317 Q HN 0.470 nan 8.270 nan 0.000 0.437 318 I N 2.851 123.587 120.570 0.277 0.000 2.478 318 I HA 0.256 4.424 4.170 -0.004 0.000 0.287 318 I C -1.618 174.555 176.117 0.093 0.000 1.042 318 I CA -1.069 60.399 61.300 0.281 0.000 1.067 318 I CB 1.177 39.329 38.000 0.254 0.000 1.233 318 I HN 0.497 nan 8.210 nan 0.000 0.431 319 L N 8.364 129.651 121.223 0.106 0.000 2.319 319 L HA 0.426 4.764 4.340 -0.004 0.000 0.280 319 L C -1.132 175.745 176.870 0.011 0.000 1.099 319 L CA 0.229 55.084 54.840 0.024 0.000 0.828 319 L CB 0.851 42.946 42.059 0.060 0.000 1.150 319 L HN 0.552 nan 8.230 nan 0.000 0.442 320 L N 7.511 128.705 121.223 -0.048 0.000 2.445 320 L HA 0.388 4.726 4.340 -0.004 0.000 0.252 320 L C -2.178 174.735 176.870 0.071 0.000 1.105 320 L CA -1.720 53.049 54.840 -0.118 0.000 0.943 320 L CB 0.884 42.595 42.059 -0.580 0.000 1.277 320 L HN 0.488 nan 8.230 nan 0.000 0.465 321 P HA -0.006 nan 4.420 nan 0.000 0.254 321 P C 0.298 177.587 177.300 -0.019 0.000 1.186 321 P CA 0.208 63.309 63.100 0.002 0.000 0.868 321 P CB 0.678 32.409 31.700 0.053 0.000 0.856 322 Q N 2.713 122.499 119.800 -0.023 0.000 2.181 322 Q HA -0.197 4.141 4.340 -0.004 0.000 0.205 322 Q C 1.905 177.827 176.000 -0.129 0.000 0.980 322 Q CA 1.588 57.365 55.803 -0.043 0.000 0.862 322 Q CB -0.527 28.152 28.738 -0.099 0.000 0.905 322 Q HN 0.522 nan 8.270 nan 0.000 0.429 323 M N -0.306 119.153 119.600 -0.234 0.000 2.149 323 M HA -0.201 4.277 4.480 -0.004 0.000 0.261 323 M C 1.403 177.579 176.300 -0.206 0.000 1.064 323 M CA 1.534 56.658 55.300 -0.293 0.000 1.102 323 M CB -0.000 32.303 32.600 -0.494 0.000 1.369 323 M HN 0.288 nan 8.290 nan 0.000 0.408 324 L N -0.620 120.516 121.223 -0.145 0.000 2.156 324 L HA -0.130 4.208 4.340 -0.004 0.000 0.208 324 L C 2.424 179.247 176.870 -0.079 0.000 1.095 324 L CA 0.678 55.464 54.840 -0.089 0.000 0.770 324 L CB -0.618 41.414 42.059 -0.045 0.000 0.914 324 L HN 0.315 nan 8.230 nan 0.000 0.439 325 S N 0.551 116.210 115.700 -0.068 0.000 2.359 325 S HA -0.197 4.271 4.470 -0.004 0.000 0.223 325 S C 1.977 176.546 174.600 -0.053 0.000 1.039 325 S CA 1.625 59.789 58.200 -0.059 0.000 1.042 325 S CB -0.722 62.448 63.200 -0.050 0.000 0.915 325 S HN 0.615 nan 8.310 nan 0.000 0.439 326 G N 0.639 109.412 108.800 -0.045 0.000 2.534 326 G HA2 0.012 3.970 3.960 -0.004 0.000 0.217 326 G HA3 0.012 3.970 3.960 -0.004 0.000 0.217 326 G C 1.103 175.958 174.900 -0.074 0.000 1.128 326 G CA 0.241 45.320 45.100 -0.034 0.000 0.784 326 G HN 0.458 nan 8.290 nan 0.000 0.542 327 L N 0.139 121.305 121.223 -0.094 0.000 2.567 327 L HA 0.181 4.518 4.340 -0.004 0.000 0.225 327 L C 0.492 177.320 176.870 -0.071 0.000 1.119 327 L CA -0.299 54.482 54.840 -0.098 0.000 0.871 327 L CB 0.100 42.093 42.059 -0.110 0.000 1.036 327 L HN 0.015 nan 8.230 nan 0.000 0.459 328 D N 1.712 122.073 120.400 -0.065 0.000 2.358 328 D HA -0.063 4.575 4.640 -0.004 0.000 0.258 328 D C 1.323 177.594 176.300 -0.048 0.000 1.223 328 D CA 0.053 54.017 54.000 -0.059 0.000 0.886 328 D CB 1.096 41.858 40.800 -0.064 0.000 1.120 328 D HN 0.359 nan 8.370 nan 0.000 0.482 329 E N 3.643 123.817 120.200 -0.042 0.000 2.267 329 E HA -0.237 4.111 4.350 -0.004 0.000 0.197 329 E C 1.136 177.717 176.600 -0.032 0.000 0.998 329 E CA 0.778 57.159 56.400 -0.031 0.000 0.830 329 E CB -0.052 29.632 29.700 -0.026 0.000 0.751 329 E HN 0.447 nan 8.360 nan 0.000 0.491 330 R N 0.478 120.955 120.500 -0.038 0.000 2.235 330 R HA 0.003 4.340 4.340 -0.004 0.000 0.213 330 R C 1.840 178.120 176.300 -0.033 0.000 1.059 330 R CA 1.223 57.301 56.100 -0.036 0.000 0.997 330 R CB 0.029 30.302 30.300 -0.045 0.000 0.884 330 R HN 0.349 nan 8.270 nan 0.000 0.462 331 E N -0.407 119.772 120.200 -0.035 0.000 2.290 331 E HA 0.111 4.458 4.350 -0.004 0.000 0.197 331 E C -0.154 176.433 176.600 -0.023 0.000 0.948 331 E CA 0.244 56.625 56.400 -0.031 0.000 0.895 331 E CB 0.564 30.241 29.700 -0.038 0.000 0.865 331 E HN 0.189 nan 8.360 nan 0.000 0.486 332 N N 0.331 119.017 118.700 -0.024 0.000 2.397 332 N HA 0.290 5.028 4.740 -0.004 0.000 0.291 332 N C -1.162 174.337 175.510 -0.018 0.000 1.065 332 N CA -0.196 52.844 53.050 -0.017 0.000 0.884 332 N CB 2.094 40.570 38.487 -0.017 0.000 1.551 332 N HN -0.030 nan 8.380 nan 0.000 0.487 333 A N 0.502 123.313 122.820 -0.015 0.000 2.445 333 A HA 0.274 4.592 4.320 -0.004 0.000 0.242 333 A C 0.752 178.329 177.584 -0.012 0.000 1.075 333 A CA -0.041 51.986 52.037 -0.018 0.000 0.777 333 A CB -0.198 18.787 19.000 -0.024 0.000 1.013 333 A HN 0.974 nan 8.150 nan 0.000 0.493 334 C N 1.707 121.007 119.300 -0.001 0.000 3.899 334 C HA -0.107 4.351 4.460 -0.004 0.000 0.297 334 C C -0.267 174.778 174.990 0.090 0.000 1.371 334 C CA -0.061 58.989 59.018 0.054 0.000 2.088 334 C CB -2.520 25.174 27.740 -0.077 0.000 1.346 334 C HN 0.875 nan 8.230 nan 0.000 0.658 335 P HA -0.209 nan 4.420 nan 0.000 0.216 335 P C 1.420 178.682 177.300 -0.064 0.000 1.150 335 P CA 1.735 64.821 63.100 -0.023 0.000 0.843 335 P CB -0.005 31.669 31.700 -0.043 0.000 0.787 336 M N -1.810 117.762 119.600 -0.048 0.000 2.562 336 M HA 0.026 4.504 4.480 -0.004 0.000 0.257 336 M C 1.143 177.315 176.300 -0.212 0.000 1.099 336 M CA 0.467 55.675 55.300 -0.153 0.000 1.099 336 M CB -1.494 31.017 32.600 -0.148 0.000 1.427 336 M HN 0.064 nan 8.290 nan 0.000 0.489 337 H N -0.050 118.964 119.070 -0.093 0.000 2.562 337 H HA 0.321 4.874 4.556 -0.004 0.000 0.352 337 H C -0.434 174.823 175.328 -0.119 0.000 1.125 337 H CA -0.230 55.780 56.048 -0.065 0.000 1.379 337 H CB 1.774 31.521 29.762 -0.025 0.000 1.464 337 H HN -0.168 nan 8.280 nan 0.000 0.563 338 V N 3.247 123.153 119.914 -0.014 0.000 2.347 338 V HA 0.074 4.192 4.120 -0.004 0.000 0.280 338 V C -0.141 175.957 176.094 0.008 0.000 1.021 338 V CA -0.401 61.810 62.300 -0.148 0.000 0.847 338 V CB 1.331 32.838 31.823 -0.527 0.000 0.990 338 V HN 0.750 nan 8.190 nan 0.000 0.444 339 D N 3.113 123.505 120.400 -0.012 0.000 2.542 339 D HA 0.449 5.087 4.640 -0.004 0.000 0.252 339 D C 0.366 176.732 176.300 0.110 0.000 1.222 339 D CA -0.464 53.539 54.000 0.005 0.000 0.895 339 D CB 1.083 41.904 40.800 0.035 0.000 1.207 339 D HN 0.293 nan 8.370 nan 0.000 0.558 340 F N 1.191 121.237 119.950 0.159 0.000 2.546 340 F HA 0.034 4.559 4.527 -0.003 0.000 0.298 340 F C 2.059 177.910 175.800 0.086 0.000 1.120 340 F CA 0.367 58.443 58.000 0.127 0.000 1.456 340 F CB -0.250 38.840 39.000 0.151 0.000 1.088 340 F HN 0.298 nan 8.300 nan 0.000 0.572 341 S N -0.930 114.902 115.700 0.220 0.000 2.572 341 S HA 0.090 4.558 4.470 -0.004 0.000 0.228 341 S C 0.850 175.509 174.600 0.098 0.000 0.963 341 S CA -0.529 57.753 58.200 0.138 0.000 0.939 341 S CB -0.200 63.058 63.200 0.096 0.000 0.804 341 S HN 0.165 nan 8.310 nan 0.000 0.480 342 R N 2.220 122.783 120.500 0.105 0.000 2.504 342 R HA -0.020 4.318 4.340 -0.004 0.000 0.291 342 R C 1.183 177.522 176.300 0.064 0.000 0.974 342 R CA 0.223 56.365 56.100 0.072 0.000 1.077 342 R CB 0.328 30.672 30.300 0.073 0.000 0.926 342 R HN 0.239 nan 8.270 nan 0.000 0.407 343 Q N 2.887 122.713 119.800 0.044 0.000 1.895 343 Q HA -0.200 4.138 4.340 -0.004 0.000 0.217 343 Q C 0.331 176.353 176.000 0.037 0.000 1.003 343 Q CA 1.729 57.554 55.803 0.037 0.000 0.871 343 Q CB -0.309 28.443 28.738 0.024 0.000 0.941 343 Q HN 0.317 nan 8.270 nan 0.000 0.421 344 K N 1.488 121.905 120.400 0.028 0.000 2.357 344 K HA 0.244 4.562 4.320 -0.004 0.000 0.251 344 K C -1.416 175.199 176.600 0.025 0.000 1.069 344 K CA -0.242 56.059 56.287 0.023 0.000 0.994 344 K CB 0.555 33.062 32.500 0.012 0.000 1.411 344 K HN -0.131 nan 8.250 nan 0.000 0.450 345 V N 3.392 123.332 119.914 0.042 0.000 2.390 345 V HA 0.091 4.209 4.120 -0.004 0.000 0.260 345 V C 0.255 176.369 176.094 0.034 0.000 1.043 345 V CA -0.226 62.112 62.300 0.064 0.000 1.047 345 V CB 0.249 32.141 31.823 0.116 0.000 1.066 345 V HN 0.721 nan 8.190 nan 0.000 0.481 346 S N 5.122 120.832 115.700 0.016 0.000 2.480 346 S HA 0.701 5.169 4.470 -0.004 0.000 0.286 346 S C -0.535 174.078 174.600 0.023 0.000 1.180 346 S CA -0.443 57.737 58.200 -0.034 0.000 1.075 346 S CB 0.289 63.472 63.200 -0.027 0.000 0.996 346 S HN 1.111 nan 8.310 nan 0.000 0.487 347 H N -0.012 119.037 119.070 -0.036 0.000 2.950 347 H HA 0.470 5.024 4.556 -0.004 0.000 0.307 347 H C -0.591 174.707 175.328 -0.050 0.000 1.403 347 H CA -0.357 55.650 56.048 -0.067 0.000 1.145 347 H CB 0.587 30.291 29.762 -0.098 0.000 1.844 347 H HN 0.326 nan 8.280 nan 0.000 0.515 348 T N -2.424 112.244 114.554 0.190 0.000 3.487 348 T HA 0.180 4.527 4.350 -0.004 0.000 0.287 348 T C 0.452 175.207 174.700 0.091 0.000 1.004 348 T CA 0.137 62.314 62.100 0.129 0.000 0.977 348 T CB -0.406 68.477 68.868 0.025 0.000 1.180 348 T HN 0.614 nan 8.240 nan 0.000 0.490 349 T N 1.395 116.023 114.554 0.123 0.000 2.759 349 T HA 0.010 4.357 4.350 -0.004 0.000 0.269 349 T C 0.469 174.962 174.700 -0.346 0.000 1.042 349 T CA 1.313 63.219 62.100 -0.324 0.000 1.140 349 T CB -0.388 67.990 68.868 -0.816 0.000 0.864 349 T HN 0.480 nan 8.240 nan 0.000 0.455 350 F N 1.216 121.167 119.950 0.001 0.000 2.660 350 F HA 0.478 5.004 4.527 -0.003 0.000 0.297 350 F C 1.557 177.323 175.800 -0.057 0.000 1.132 350 F CA -0.303 57.669 58.000 -0.045 0.000 1.372 350 F CB -0.462 38.517 39.000 -0.035 0.000 1.003 350 F HN 0.293 nan 8.300 nan 0.000 0.524 351 G N -0.006 108.825 108.800 0.051 0.000 2.685 351 G HA2 -0.048 3.910 3.960 -0.004 0.000 0.387 351 G HA3 -0.048 3.910 3.960 -0.004 0.000 0.387 351 G C -1.535 173.366 174.900 0.001 0.000 1.324 351 G CA -0.771 44.277 45.100 -0.086 0.000 0.878 351 G HN 0.509 nan 8.290 nan 0.000 0.527 352 H N -1.008 117.919 119.070 -0.239 0.000 3.079 352 H HA 0.694 5.248 4.556 -0.003 0.000 0.356 352 H C 0.564 175.897 175.328 0.008 0.000 1.221 352 H CA 1.845 57.852 56.048 -0.069 0.000 1.185 352 H CB 1.387 31.158 29.762 0.015 0.000 1.882 352 H HN 2.648 nan 8.280 nan 0.000 0.543 353 G N 1.055 109.630 108.800 -0.376 0.000 2.508 353 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.220 353 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.220 353 G C 1.043 175.919 174.900 -0.039 0.000 1.287 353 G CA 0.507 45.544 45.100 -0.106 0.000 0.916 353 G HN 1.367 nan 8.290 nan 0.000 0.574 354 S N -0.880 114.837 115.700 0.027 0.000 2.515 354 S HA 0.006 4.473 4.470 -0.004 0.000 0.231 354 S C 1.232 175.703 174.600 -0.215 0.000 0.987 354 S CA 1.719 59.853 58.200 -0.111 0.000 0.936 354 S CB -0.217 62.854 63.200 -0.215 0.000 0.766 354 S HN 0.732 nan 8.310 nan 0.000 0.528 355 H N 0.908 119.969 119.070 -0.015 0.000 2.507 355 H HA 0.385 4.939 4.556 -0.003 0.000 0.294 355 H C -0.023 175.285 175.328 -0.034 0.000 1.064 355 H CA -0.400 55.641 56.048 -0.013 0.000 1.138 355 H CB -0.062 29.703 29.762 0.006 0.000 1.515 355 H HN 0.371 nan 8.280 nan 0.000 0.547 356 L N 1.378 122.614 121.223 0.021 0.000 2.615 356 L HA -0.118 4.220 4.340 -0.004 0.000 0.284 356 L C 1.039 177.906 176.870 -0.004 0.000 1.237 356 L CA 0.043 54.885 54.840 0.003 0.000 0.905 356 L CB 0.244 42.287 42.059 -0.027 0.000 1.149 356 L HN 0.362 nan 8.230 nan 0.000 0.499 357 C N 5.171 124.475 119.300 0.007 0.000 2.437 357 C HA -0.037 4.421 4.460 -0.004 0.000 0.399 357 C C 1.771 176.669 174.990 -0.152 0.000 1.478 357 C CA -0.226 58.770 59.018 -0.035 0.000 1.538 357 C CB -0.846 26.903 27.740 0.014 0.000 2.506 357 C HN 0.781 nan 8.230 nan 0.000 0.603 358 L N 4.957 126.125 121.223 -0.092 0.000 2.509 358 L HA 0.188 4.526 4.340 -0.004 0.000 0.222 358 L C 2.285 179.073 176.870 -0.137 0.000 1.123 358 L CA 1.104 55.887 54.840 -0.096 0.000 0.856 358 L CB -0.309 41.742 42.059 -0.014 0.000 0.985 358 L HN 0.968 nan 8.230 nan 0.000 0.456 359 G N -0.619 108.088 108.800 -0.155 0.000 3.337 359 G HA2 -0.008 3.950 3.960 -0.004 0.000 0.246 359 G HA3 -0.008 3.950 3.960 -0.004 0.000 0.246 359 G C 1.269 175.995 174.900 -0.290 0.000 1.131 359 G CA -0.176 44.841 45.100 -0.139 0.000 0.773 359 G HN 0.475 nan 8.290 nan 0.000 0.544 360 Q N -0.287 119.139 119.800 -0.623 0.000 2.226 360 Q HA -0.148 4.190 4.340 -0.004 0.000 0.204 360 Q C 1.658 177.255 176.000 -0.672 0.000 0.975 360 Q CA 1.095 56.243 55.803 -1.092 0.000 0.866 360 Q CB -0.424 27.203 28.738 -1.850 0.000 0.915 360 Q HN 0.447 nan 8.270 nan 0.000 0.440 361 H N 0.489 119.409 119.070 -0.251 0.000 2.395 361 H HA -0.028 4.526 4.556 -0.003 0.000 0.299 361 H C 2.107 177.399 175.328 -0.060 0.000 1.070 361 H CA 1.220 57.192 56.048 -0.127 0.000 1.356 361 H CB -0.126 29.583 29.762 -0.088 0.000 1.401 361 H HN 0.255 nan 8.280 nan 0.000 0.524 362 L N 1.194 122.440 121.223 0.037 0.000 2.056 362 L HA -0.003 4.335 4.340 -0.004 0.000 0.207 362 L C 2.497 179.395 176.870 0.046 0.000 1.078 362 L CA 1.664 56.529 54.840 0.042 0.000 0.749 362 L CB -0.822 41.255 42.059 0.030 0.000 0.901 362 L HN 0.161 nan 8.230 nan 0.000 0.433 363 A N -0.222 122.610 122.820 0.019 0.000 1.858 363 A HA -0.221 4.097 4.320 -0.004 0.000 0.216 363 A C 2.440 180.112 177.584 0.147 0.000 1.190 363 A CA 1.866 53.960 52.037 0.095 0.000 0.617 363 A CB -0.594 18.495 19.000 0.148 0.000 0.827 363 A HN 0.486 nan 8.150 nan 0.000 0.443 364 R N -1.246 119.323 120.500 0.115 0.000 2.096 364 R HA -0.141 4.197 4.340 -0.004 0.000 0.235 364 R C 2.476 178.871 176.300 0.158 0.000 1.127 364 R CA 1.624 57.814 56.100 0.151 0.000 0.968 364 R CB -0.278 30.096 30.300 0.124 0.000 0.861 364 R HN 0.497 nan 8.270 nan 0.000 0.440 365 R N 1.425 122.008 120.500 0.138 0.000 2.081 365 R HA -0.131 4.207 4.340 -0.004 0.000 0.235 365 R C 1.787 178.217 176.300 0.217 0.000 1.131 365 R CA 1.667 57.857 56.100 0.150 0.000 0.960 365 R CB -0.055 30.316 30.300 0.118 0.000 0.856 365 R HN 0.269 nan 8.270 nan 0.000 0.436 366 E N -0.318 120.023 120.200 0.236 0.000 2.106 366 E HA -0.164 4.184 4.350 -0.004 0.000 0.192 366 E C 1.959 178.847 176.600 0.479 0.000 0.984 366 E CA 1.481 58.119 56.400 0.397 0.000 0.806 366 E CB -0.099 29.739 29.700 0.229 0.000 0.750 366 E HN 0.394 nan 8.360 nan 0.000 0.458 367 I N 0.818 121.601 120.570 0.354 0.000 2.202 367 I HA -0.257 3.911 4.170 -0.004 0.000 0.242 367 I C 2.333 178.603 176.117 0.255 0.000 1.091 367 I CA 1.015 62.523 61.300 0.347 0.000 1.368 367 I CB -0.177 38.039 38.000 0.360 0.000 1.058 367 I HN 0.085 nan 8.210 nan 0.000 0.410 368 I N 0.018 120.714 120.570 0.209 0.000 2.226 368 I HA -0.250 3.918 4.170 -0.004 0.000 0.245 368 I C 2.538 178.740 176.117 0.142 0.000 1.100 368 I CA 1.159 62.548 61.300 0.149 0.000 1.374 368 I CB -0.340 37.734 38.000 0.123 0.000 1.057 368 I HN 0.025 nan 8.210 nan 0.000 0.413 369 V N 0.561 120.584 119.914 0.182 0.000 2.343 369 V HA -0.289 3.829 4.120 -0.004 0.000 0.247 369 V C 2.507 178.669 176.094 0.113 0.000 1.051 369 V CA 2.455 64.853 62.300 0.163 0.000 1.036 369 V CB -0.898 31.073 31.823 0.246 0.000 0.654 369 V HN 0.479 nan 8.190 nan 0.000 0.451 370 T N 0.434 115.070 114.554 0.136 0.000 2.708 370 T HA -0.138 4.210 4.350 -0.004 0.000 0.266 370 T C 1.879 176.613 174.700 0.057 0.000 1.037 370 T CA 1.619 63.756 62.100 0.061 0.000 1.146 370 T CB -0.299 68.670 68.868 0.169 0.000 0.865 370 T HN 0.303 nan 8.240 nan 0.000 0.435 371 L N 0.750 122.020 121.223 0.078 0.000 2.046 371 L HA -0.101 4.237 4.340 -0.004 0.000 0.208 371 L C 2.853 179.772 176.870 0.082 0.000 1.077 371 L CA 1.273 56.152 54.840 0.065 0.000 0.747 371 L CB -0.548 41.545 42.059 0.055 0.000 0.896 371 L HN 0.152 nan 8.230 nan 0.000 0.432 372 K N 0.319 120.761 120.400 0.070 0.000 2.001 372 K HA -0.172 4.146 4.320 -0.004 0.000 0.208 372 K C 1.918 178.545 176.600 0.045 0.000 1.048 372 K CA 1.441 57.762 56.287 0.057 0.000 0.932 372 K CB 0.023 32.554 32.500 0.053 0.000 0.715 372 K HN 0.232 nan 8.250 nan 0.000 0.437 373 E N -0.265 119.958 120.200 0.038 0.000 2.208 373 E HA -0.173 4.175 4.350 -0.004 0.000 0.193 373 E C 1.731 178.307 176.600 -0.041 0.000 0.988 373 E CA 0.507 56.905 56.400 -0.003 0.000 0.828 373 E CB -0.290 29.405 29.700 -0.007 0.000 0.763 373 E HN 0.489 nan 8.360 nan 0.000 0.478 374 W N 1.280 122.464 121.300 -0.194 0.000 2.441 374 W HA -0.024 4.634 4.660 -0.004 0.000 0.302 374 W C 1.725 178.125 176.519 -0.199 0.000 1.191 374 W CA 0.697 57.871 57.345 -0.283 0.000 1.327 374 W CB -0.307 28.918 29.460 -0.392 0.000 1.128 374 W HN -0.000 nan 8.180 nan 0.000 0.522 375 L N 0.490 121.831 121.223 0.197 0.000 2.275 375 L HA -0.188 4.150 4.340 -0.004 0.000 0.215 375 L C 2.270 179.154 176.870 0.024 0.000 1.119 375 L CA 1.427 56.363 54.840 0.161 0.000 0.790 375 L CB -0.983 41.174 42.059 0.163 0.000 0.919 375 L HN -0.139 nan 8.230 nan 0.000 0.443 376 T N -0.803 113.736 114.554 -0.025 0.000 2.857 376 T HA -0.077 4.271 4.350 -0.004 0.000 0.266 376 T C 2.022 176.656 174.700 -0.109 0.000 1.048 376 T CA 1.094 63.164 62.100 -0.050 0.000 1.139 376 T CB 0.044 68.888 68.868 -0.040 0.000 0.874 376 T HN 0.343 nan 8.240 nan 0.000 0.455 377 R N -0.066 120.308 120.500 -0.210 0.000 2.167 377 R HA 0.352 4.690 4.340 -0.004 0.000 0.201 377 R C 0.468 176.534 176.300 -0.389 0.000 1.024 377 R CA 0.550 56.479 56.100 -0.285 0.000 1.053 377 R CB 0.493 30.581 30.300 -0.353 0.000 0.987 377 R HN 0.287 nan 8.270 nan 0.000 0.493 378 I N 2.852 123.087 120.570 -0.558 0.000 2.833 378 I HA 0.181 4.349 4.170 -0.004 0.000 0.286 378 I C -1.889 174.153 176.117 -0.124 0.000 1.287 378 I CA -1.634 59.302 61.300 -0.608 0.000 1.046 378 I CB 1.857 39.016 38.000 -1.401 0.000 1.612 378 I HN -0.103 nan 8.210 nan 0.000 0.585 379 P HA -0.104 nan 4.420 nan 0.000 0.219 379 P C 0.195 177.578 177.300 0.139 0.000 1.150 379 P CA 1.235 64.401 63.100 0.110 0.000 0.814 379 P CB 0.343 32.064 31.700 0.035 0.000 0.787 380 D N -0.366 120.113 120.400 0.130 0.000 2.425 380 D HA 0.451 5.089 4.640 -0.004 0.000 0.240 380 D C -0.876 175.572 176.300 0.247 0.000 1.080 380 D CA -0.757 53.288 54.000 0.075 0.000 0.836 380 D CB 0.554 41.385 40.800 0.052 0.000 1.125 380 D HN -0.053 nan 8.370 nan 0.000 0.525 381 F N 0.509 120.529 119.950 0.118 0.000 2.662 381 F HA 0.822 5.347 4.527 -0.003 0.000 0.312 381 F C -1.019 174.866 175.800 0.142 0.000 1.113 381 F CA -0.909 57.227 58.000 0.227 0.000 0.951 381 F CB 1.282 40.455 39.000 0.288 0.000 1.344 381 F HN 0.115 nan 8.300 nan 0.000 0.462 382 S N 1.091 116.981 115.700 0.317 0.000 2.651 382 S HA 0.606 5.074 4.470 -0.004 0.000 0.279 382 S C -1.113 173.602 174.600 0.191 0.000 1.148 382 S CA -0.809 57.468 58.200 0.128 0.000 0.837 382 S CB 1.802 65.039 63.200 0.061 0.000 1.138 382 S HN 0.586 nan 8.310 nan 0.000 0.478 383 I N 2.019 122.646 120.570 0.094 0.000 2.692 383 I HA 0.212 4.380 4.170 -0.004 0.000 0.284 383 I C 1.090 177.254 176.117 0.078 0.000 1.159 383 I CA -0.248 61.103 61.300 0.084 0.000 1.423 383 I CB 0.037 38.059 38.000 0.037 0.000 1.380 383 I HN 0.845 nan 8.210 nan 0.000 0.580 384 A N 8.394 131.259 122.820 0.075 0.000 2.520 384 A HA 0.269 4.587 4.320 -0.004 0.000 0.235 384 A C -2.089 175.513 177.584 0.030 0.000 1.065 384 A CA -0.784 51.283 52.037 0.049 0.000 0.764 384 A CB -0.905 18.119 19.000 0.039 0.000 1.002 384 A HN 0.530 nan 8.150 nan 0.000 0.502 385 P HA 0.150 nan 4.420 nan 0.000 0.260 385 P C 1.067 178.373 177.300 0.010 0.000 1.172 385 P CA 2.038 65.145 63.100 0.012 0.000 0.760 385 P CB 0.323 32.026 31.700 0.005 0.000 0.773 386 G N 2.265 111.070 108.800 0.008 0.000 2.186 386 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.266 386 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.266 386 G C 0.487 175.393 174.900 0.009 0.000 0.982 386 G CA 0.123 45.227 45.100 0.007 0.000 0.670 386 G HN 0.868 nan 8.290 nan 0.000 0.533 387 A N -0.502 122.326 122.820 0.014 0.000 2.388 387 A HA 0.676 4.994 4.320 -0.004 0.000 0.257 387 A C 0.401 177.993 177.584 0.013 0.000 1.095 387 A CA 0.236 52.283 52.037 0.017 0.000 0.791 387 A CB 0.402 19.418 19.000 0.027 0.000 1.029 387 A HN 0.521 nan 8.150 nan 0.000 0.489 388 Q N 2.053 121.860 119.800 0.011 0.000 2.401 388 Q HA 0.329 4.667 4.340 -0.004 0.000 0.260 388 Q C -0.831 175.171 176.000 0.004 0.000 1.034 388 Q CA -0.614 55.191 55.803 0.002 0.000 0.737 388 Q CB 1.548 30.286 28.738 -0.000 0.000 1.227 388 Q HN 0.648 nan 8.270 nan 0.000 0.488 389 I N 2.732 123.302 120.570 0.000 0.000 2.598 389 I HA -0.025 4.143 4.170 -0.004 0.000 0.284 389 I C 0.408 176.511 176.117 -0.024 0.000 1.140 389 I CA 0.544 61.851 61.300 0.012 0.000 1.420 389 I CB -0.003 38.019 38.000 0.036 0.000 1.387 389 I HN 0.556 nan 8.210 nan 0.000 0.553 390 Q N 6.020 125.843 119.800 0.037 0.000 2.282 390 Q HA 0.451 4.789 4.340 -0.004 0.000 0.260 390 Q C -0.706 175.413 176.000 0.198 0.000 0.964 390 Q CA -0.568 55.263 55.803 0.047 0.000 0.880 390 Q CB 2.220 30.991 28.738 0.055 0.000 1.286 390 Q HN 0.590 nan 8.270 nan 0.000 0.445 391 H N 0.711 119.843 119.070 0.104 0.000 2.559 391 H HA 0.491 5.045 4.556 -0.003 0.000 0.343 391 H C -0.511 174.899 175.328 0.136 0.000 1.209 391 H CA -1.066 55.070 56.048 0.145 0.000 1.287 391 H CB 1.543 31.467 29.762 0.269 0.000 1.650 391 H HN 0.447 nan 8.280 nan 0.000 0.567 392 K N 0.247 120.817 120.400 0.283 0.000 2.464 392 K HA 0.541 4.859 4.320 -0.004 0.000 0.253 392 K C -1.196 175.550 176.600 0.244 0.000 0.933 392 K CA -0.909 55.504 56.287 0.210 0.000 0.801 392 K CB 2.595 35.180 32.500 0.141 0.000 1.271 392 K HN 0.360 nan 8.250 nan 0.000 0.430 393 S N 0.500 116.345 115.700 0.241 0.000 2.568 393 S HA 0.913 5.381 4.470 -0.004 0.000 0.302 393 S C -0.404 174.328 174.600 0.219 0.000 1.082 393 S CA 0.221 58.592 58.200 0.286 0.000 1.009 393 S CB 1.480 64.906 63.200 0.376 0.000 1.069 393 S HN 1.013 nan 8.310 nan 0.000 0.500 394 G N 2.281 111.171 108.800 0.149 0.000 2.392 394 G HA2 0.202 4.160 3.960 -0.004 0.000 0.260 394 G HA3 0.202 4.160 3.960 -0.004 0.000 0.260 394 G C 0.186 175.015 174.900 -0.119 0.000 1.226 394 G CA -0.311 44.765 45.100 -0.039 0.000 0.913 394 G HN 0.547 nan 8.290 nan 0.000 0.483 395 I N 0.056 120.541 120.570 -0.142 0.000 2.264 395 I HA 0.013 4.181 4.170 -0.004 0.000 0.248 395 I C 0.863 176.882 176.117 -0.163 0.000 1.111 395 I CA 1.546 62.687 61.300 -0.264 0.000 1.382 395 I CB -0.727 37.010 38.000 -0.439 0.000 1.060 395 I HN 0.046 nan 8.210 nan 0.000 0.418 396 V N 0.638 120.519 119.914 -0.054 0.000 2.577 396 V HA 0.296 4.414 4.120 -0.004 0.000 0.303 396 V C 0.066 176.186 176.094 0.043 0.000 1.042 396 V CA -0.589 61.702 62.300 -0.017 0.000 0.872 396 V CB 1.901 33.744 31.823 0.033 0.000 0.998 396 V HN 0.080 nan 8.190 nan 0.000 0.423 397 S N 2.305 118.040 115.700 0.059 0.000 2.652 397 S HA 0.896 5.364 4.470 -0.004 0.000 0.270 397 S C 0.429 175.197 174.600 0.279 0.000 1.243 397 S CA 0.087 58.391 58.200 0.174 0.000 0.999 397 S CB 1.789 65.080 63.200 0.153 0.000 0.973 397 S HN 1.157 nan 8.310 nan 0.000 0.544 398 G N -0.400 108.522 108.800 0.203 0.000 2.749 398 G HA2 0.578 4.536 3.960 -0.004 0.000 0.300 398 G HA3 0.578 4.536 3.960 -0.004 0.000 0.300 398 G C -1.843 172.841 174.900 -0.360 0.000 1.352 398 G CA -0.500 44.511 45.100 -0.150 0.000 0.789 398 G HN 0.615 nan 8.290 nan 0.000 0.509 399 V N 0.911 120.537 119.914 -0.480 0.000 2.409 399 V HA 0.280 4.398 4.120 -0.004 0.000 0.291 399 V C 1.015 177.060 176.094 -0.082 0.000 1.020 399 V CA -0.353 61.776 62.300 -0.285 0.000 0.848 399 V CB 1.266 32.841 31.823 -0.414 0.000 0.990 399 V HN 0.879 nan 8.190 nan 0.000 0.430 400 Q N 2.877 122.692 119.800 0.025 0.000 2.084 400 Q HA 0.077 4.414 4.340 -0.004 0.000 0.202 400 Q C 0.675 176.690 176.000 0.026 0.000 0.978 400 Q CA 1.635 57.458 55.803 0.033 0.000 0.844 400 Q CB 0.250 29.023 28.738 0.059 0.000 0.898 400 Q HN 0.905 nan 8.270 nan 0.000 0.426 401 A N -0.009 122.832 122.820 0.036 0.000 2.589 401 A HA 0.539 4.857 4.320 -0.004 0.000 0.296 401 A C -1.909 175.708 177.584 0.056 0.000 1.062 401 A CA -0.619 51.444 52.037 0.044 0.000 0.686 401 A CB 1.517 20.544 19.000 0.044 0.000 1.282 401 A HN 0.100 nan 8.150 nan 0.000 0.404 402 L N 3.170 124.442 121.223 0.081 0.000 2.481 402 L HA 0.484 4.822 4.340 -0.004 0.000 0.255 402 L C -2.625 174.320 176.870 0.126 0.000 1.192 402 L CA -1.495 53.400 54.840 0.092 0.000 0.924 402 L CB 1.721 43.838 42.059 0.096 0.000 1.179 402 L HN 0.457 nan 8.230 nan 0.000 0.491 403 P HA 0.256 nan 4.420 nan 0.000 0.282 403 P C -0.986 176.394 177.300 0.133 0.000 1.274 403 P CA 0.014 63.179 63.100 0.108 0.000 0.770 403 P CB 1.131 32.871 31.700 0.068 0.000 0.867 404 L N 3.852 125.194 121.223 0.199 0.000 2.333 404 L HA 0.735 5.073 4.340 -0.004 0.000 0.269 404 L C 0.442 177.457 176.870 0.241 0.000 1.010 404 L CA -1.225 53.792 54.840 0.295 0.000 0.818 404 L CB 2.228 44.551 42.059 0.440 0.000 1.306 404 L HN 0.224 nan 8.230 nan 0.000 0.430 405 V N -1.434 118.652 119.914 0.287 0.000 3.078 405 V HA 0.828 4.946 4.120 -0.004 0.000 0.311 405 V C -1.730 174.574 176.094 0.349 0.000 1.138 405 V CA -0.608 61.724 62.300 0.054 0.000 1.007 405 V CB 1.844 33.660 31.823 -0.011 0.000 1.045 405 V HN 0.990 nan 8.190 nan 0.000 0.432 406 W N 0.475 121.845 121.300 0.115 0.000 3.057 406 W HA 0.721 5.379 4.660 -0.003 0.000 0.328 406 W C -1.878 174.677 176.519 0.060 0.000 1.232 406 W CA -0.653 56.759 57.345 0.112 0.000 1.187 406 W CB 0.804 30.362 29.460 0.163 0.000 1.417 406 W HN 0.705 nan 8.180 nan 0.000 0.569 407 D N 2.108 122.679 120.400 0.285 0.000 2.313 407 D HA 0.369 5.007 4.640 -0.004 0.000 0.239 407 D C -1.492 174.961 176.300 0.254 0.000 1.142 407 D CA -2.444 51.650 54.000 0.158 0.000 0.847 407 D CB 1.962 42.829 40.800 0.112 0.000 1.082 407 D HN 0.069 nan 8.370 nan 0.000 0.480 408 P HA -0.132 nan 4.420 nan 0.000 0.218 408 P C 0.835 178.213 177.300 0.130 0.000 1.146 408 P CA 1.248 64.472 63.100 0.207 0.000 0.813 408 P CB 0.220 31.982 31.700 0.104 0.000 0.778 409 A N -0.724 122.151 122.820 0.092 0.000 2.121 409 A HA -0.111 4.207 4.320 -0.004 0.000 0.218 409 A C 1.941 179.560 177.584 0.059 0.000 1.154 409 A CA 1.910 53.983 52.037 0.060 0.000 0.679 409 A CB -1.526 17.500 19.000 0.044 0.000 0.795 409 A HN 0.342 nan 8.150 nan 0.000 0.458 410 T N -2.504 112.101 114.554 0.085 0.000 3.086 410 T HA 0.189 4.537 4.350 -0.004 0.000 0.250 410 T C 0.752 175.474 174.700 0.037 0.000 1.074 410 T CA 0.579 62.718 62.100 0.065 0.000 0.988 410 T CB -0.766 68.154 68.868 0.087 0.000 0.988 410 T HN 0.482 nan 8.240 nan 0.000 0.530 411 T N -0.341 114.232 114.554 0.032 0.000 2.912 411 T HA 0.598 4.946 4.350 -0.004 0.000 0.280 411 T C -0.699 173.976 174.700 -0.041 0.000 0.989 411 T CA -0.964 61.112 62.100 -0.040 0.000 0.995 411 T CB 1.644 70.477 68.868 -0.058 0.000 1.077 411 T HN 0.171 nan 8.240 nan 0.000 0.531 412 K N 0.701 121.054 120.400 -0.079 0.000 2.413 412 K HA 0.617 4.935 4.320 -0.004 0.000 0.257 412 K C -0.991 175.566 176.600 -0.072 0.000 0.946 412 K CA -0.902 55.350 56.287 -0.059 0.000 0.823 412 K CB 2.176 34.643 32.500 -0.054 0.000 1.109 412 K HN 0.800 nan 8.250 nan 0.000 0.427 413 A N 3.087 125.879 122.820 -0.047 0.000 2.294 413 A HA 0.638 4.956 4.320 -0.004 0.000 0.316 413 A C -0.431 177.131 177.584 -0.036 0.000 1.359 413 A CA -0.338 51.672 52.037 -0.045 0.000 0.956 413 A CB 0.154 19.137 19.000 -0.027 0.000 1.155 413 A HN 0.492 nan 8.150 nan 0.000 0.544 414 V N 0.000 119.888 119.914 -0.043 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 414 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556