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 2fe6_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 0.000 175.494 175.510 -0.027 0.000 1.280 10 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 10 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 11 L N 2.021 123.230 121.223 -0.024 0.000 2.287 11 L HA 0.704 5.042 4.340 -0.003 0.000 0.287 11 L C 0.890 177.761 176.870 0.003 0.000 1.022 11 L CA -0.828 53.999 54.840 -0.021 0.000 0.814 11 L CB 1.532 43.574 42.059 -0.028 0.000 1.217 11 L HN 0.634 nan 8.230 nan 0.000 0.420 12 A N 5.729 128.560 122.820 0.019 0.000 2.407 12 A HA 0.540 4.857 4.320 -0.003 0.000 0.248 12 A C -2.123 175.497 177.584 0.060 0.000 1.082 12 A CA -1.076 50.989 52.037 0.046 0.000 0.785 12 A CB -0.350 18.692 19.000 0.070 0.000 1.020 12 A HN 0.510 nan 8.150 nan 0.000 0.489 13 P HA 0.075 nan 4.420 nan 0.000 0.266 13 P C -0.503 176.813 177.300 0.026 0.000 1.195 13 P CA -0.218 62.898 63.100 0.026 0.000 0.768 13 P CB 0.424 32.133 31.700 0.015 0.000 0.838 14 L N 6.285 127.493 121.223 -0.025 0.000 2.462 14 L HA 0.257 4.595 4.340 -0.003 0.000 0.272 14 L C -2.075 174.671 176.870 -0.207 0.000 1.166 14 L CA -1.536 53.224 54.840 -0.133 0.000 0.880 14 L CB -0.745 41.216 42.059 -0.162 0.000 1.142 14 L HN 0.295 nan 8.230 nan 0.000 0.473 15 P HA 0.158 nan 4.420 nan 0.000 0.269 15 P C -2.129 175.013 177.300 -0.264 0.000 1.215 15 P CA -0.886 62.047 63.100 -0.278 0.000 0.780 15 P CB 0.098 31.548 31.700 -0.417 0.000 0.898 16 P HA -0.193 nan 4.420 nan 0.000 0.218 16 P C 1.003 178.294 177.300 -0.015 0.000 1.146 16 P CA 1.438 64.519 63.100 -0.031 0.000 0.813 16 P CB -0.327 31.390 31.700 0.029 0.000 0.778 17 H N -2.543 116.460 119.070 -0.110 0.000 2.539 17 H HA 0.174 4.728 4.556 -0.004 0.000 0.269 17 H C -0.050 175.228 175.328 -0.083 0.000 0.980 17 H CA 0.113 56.123 56.048 -0.063 0.000 1.152 17 H CB -0.479 29.279 29.762 -0.008 0.000 1.407 17 H HN -0.093 nan 8.280 nan 0.000 0.564 18 V N 5.723 125.259 119.914 -0.630 0.000 2.364 18 V HA 0.225 4.343 4.120 -0.003 0.000 0.272 18 V C -1.870 174.028 176.094 -0.327 0.000 1.036 18 V CA -1.524 60.412 62.300 -0.607 0.000 0.880 18 V CB 1.567 32.666 31.823 -1.206 0.000 0.991 18 V HN 0.269 nan 8.190 nan 0.000 0.460 19 P HA 0.193 nan 4.420 nan 0.000 0.278 19 P C 0.656 177.873 177.300 -0.138 0.000 1.238 19 P CA -0.404 62.638 63.100 -0.096 0.000 0.794 19 P CB 1.106 32.801 31.700 -0.009 0.000 0.955 20 E N 2.369 122.551 120.200 -0.029 0.000 2.118 20 E HA -0.275 4.073 4.350 -0.003 0.000 0.195 20 E C 1.472 178.087 176.600 0.024 0.000 0.992 20 E CA 1.210 57.605 56.400 -0.008 0.000 0.804 20 E CB -0.866 28.853 29.700 0.030 0.000 0.741 20 E HN 0.613 nan 8.360 nan 0.000 0.458 21 H N 0.877 119.966 119.070 0.032 0.000 2.561 21 H HA 0.029 4.583 4.556 -0.003 0.000 0.278 21 H C 1.528 176.909 175.328 0.089 0.000 1.014 21 H CA 0.688 56.768 56.048 0.053 0.000 1.211 21 H CB -0.149 29.638 29.762 0.042 0.000 1.365 21 H HN 0.279 nan 8.280 nan 0.000 0.594 22 L N 1.203 122.255 121.223 -0.284 0.000 2.640 22 L HA 0.199 4.537 4.340 -0.003 0.000 0.230 22 L C 0.125 177.048 176.870 0.087 0.000 1.123 22 L CA -0.261 54.528 54.840 -0.086 0.000 0.900 22 L CB 0.870 42.885 42.059 -0.074 0.000 1.146 22 L HN -0.028 nan 8.230 nan 0.000 0.484 23 V N 0.838 120.796 119.914 0.072 0.000 2.455 23 V HA 0.087 4.205 4.120 -0.003 0.000 0.273 23 V C -0.631 175.571 176.094 0.180 0.000 1.045 23 V CA 0.136 62.513 62.300 0.130 0.000 0.976 23 V CB 0.892 32.755 31.823 0.067 0.000 0.993 23 V HN 0.079 nan 8.190 nan 0.000 0.475 24 F N 3.837 123.797 119.950 0.016 0.000 2.828 24 F HA 0.420 4.944 4.527 -0.003 0.000 0.355 24 F C 0.178 175.963 175.800 -0.026 0.000 1.200 24 F CA -0.820 57.180 58.000 0.000 0.000 1.062 24 F CB 1.320 40.320 39.000 0.000 0.000 1.351 24 F HN 0.498 nan 8.300 nan 0.000 0.504 25 D N 6.448 126.702 120.400 -0.243 0.000 2.597 25 D HA -0.018 4.620 4.640 -0.003 0.000 0.228 25 D C -0.345 175.854 176.300 -0.168 0.000 1.120 25 D CA 0.540 54.427 54.000 -0.189 0.000 1.083 25 D CB -0.334 40.349 40.800 -0.196 0.000 1.116 25 D HN 0.252 nan 8.370 nan 0.000 0.487 26 F N 1.617 121.474 119.950 -0.154 0.000 2.396 26 F HA 0.167 4.692 4.527 -0.004 0.000 0.343 26 F C 0.360 176.039 175.800 -0.202 0.000 1.104 26 F CA -0.833 57.088 58.000 -0.132 0.000 1.161 26 F CB 1.021 40.014 39.000 -0.012 0.000 1.146 26 F HN -0.131 nan 8.300 nan 0.000 0.522 27 D N 7.135 127.016 120.400 -0.865 0.000 2.454 27 D HA 0.111 4.749 4.640 -0.003 0.000 0.225 27 D C 0.958 176.795 176.300 -0.771 0.000 1.081 27 D CA -0.433 53.231 54.000 -0.560 0.000 0.864 27 D CB 0.925 41.514 40.800 -0.352 0.000 1.040 27 D HN 0.745 nan 8.370 nan 0.000 0.517 28 M N 1.902 121.238 119.600 -0.439 0.000 2.346 28 M HA -0.126 4.352 4.480 -0.003 0.000 0.263 28 M C 0.256 176.393 176.300 -0.271 0.000 1.064 28 M CA 1.334 56.434 55.300 -0.333 0.000 1.083 28 M CB -0.260 32.291 32.600 -0.082 0.000 1.399 28 M HN 0.230 nan 8.290 nan 0.000 0.435 29 Y N 0.500 120.765 120.300 -0.058 0.000 2.462 29 Y HA 0.286 4.834 4.550 -0.004 0.000 0.261 29 Y C 0.560 176.435 175.900 -0.042 0.000 1.146 29 Y CA -0.079 58.018 58.100 -0.006 0.000 1.283 29 Y CB 0.494 38.948 38.460 -0.011 0.000 1.090 29 Y HN 0.466 nan 8.280 nan 0.000 0.526 30 N N 0.869 119.547 118.700 -0.036 0.000 2.926 30 N HA 0.079 4.817 4.740 -0.003 0.000 0.201 30 N C -3.278 172.095 175.510 -0.229 0.000 1.419 30 N CA -0.991 52.016 53.050 -0.072 0.000 0.838 30 N CB 0.871 39.338 38.487 -0.035 0.000 1.534 30 N HN -0.176 nan 8.380 nan 0.000 0.569 31 P HA 0.088 nan 4.420 nan 0.000 0.268 31 P C 0.670 177.838 177.300 -0.220 0.000 1.205 31 P CA 0.041 62.847 63.100 -0.491 0.000 0.771 31 P CB 1.530 32.940 31.700 -0.483 0.000 0.858 32 S N 2.185 117.762 115.700 -0.205 0.000 2.374 32 S HA -0.180 4.288 4.470 -0.003 0.000 0.227 32 S C 1.022 175.605 174.600 -0.029 0.000 1.037 32 S CA 1.804 59.947 58.200 -0.095 0.000 1.024 32 S CB -0.708 62.445 63.200 -0.079 0.000 0.861 32 S HN 0.615 nan 8.310 nan 0.000 0.456 33 N N 1.119 119.827 118.700 0.013 0.000 2.378 33 N HA 0.245 4.983 4.740 -0.003 0.000 0.243 33 N C 0.731 176.280 175.510 0.065 0.000 1.137 33 N CA -0.114 52.964 53.050 0.046 0.000 0.862 33 N CB 0.197 38.729 38.487 0.076 0.000 1.116 33 N HN 0.136 nan 8.380 nan 0.000 0.499 34 L N 0.689 121.943 121.223 0.053 0.000 2.127 34 L HA -0.177 4.161 4.340 -0.003 0.000 0.211 34 L C 2.060 178.970 176.870 0.068 0.000 1.089 34 L CA 1.569 56.464 54.840 0.091 0.000 0.757 34 L CB -0.780 41.327 42.059 0.079 0.000 0.899 34 L HN 0.332 nan 8.230 nan 0.000 0.434 35 S N -0.896 114.824 115.700 0.033 0.000 2.419 35 S HA -0.100 4.368 4.470 -0.003 0.000 0.233 35 S C 1.931 176.525 174.600 -0.010 0.000 1.016 35 S CA 0.750 58.953 58.200 0.005 0.000 0.974 35 S CB -0.827 62.376 63.200 0.004 0.000 0.786 35 S HN 0.492 nan 8.310 nan 0.000 0.492 36 A N 1.026 123.857 122.820 0.018 0.000 2.238 36 A HA 0.582 4.900 4.320 -0.003 0.000 0.208 36 A C 1.161 178.762 177.584 0.028 0.000 1.177 36 A CA 0.355 52.404 52.037 0.021 0.000 0.804 36 A CB -0.770 18.254 19.000 0.041 0.000 0.823 36 A HN 1.591 nan 8.150 nan 0.000 0.482 37 G N -2.348 106.469 108.800 0.029 0.000 2.627 37 G HA2 0.122 4.080 3.960 -0.003 0.000 0.680 37 G HA3 0.122 4.080 3.960 -0.003 0.000 0.680 37 G C 0.361 175.442 174.900 0.301 0.000 1.341 37 G CA -0.161 45.000 45.100 0.102 0.000 0.835 37 G HN 0.839 nan 8.290 nan 0.000 0.643 38 V N 1.378 121.635 119.914 0.572 0.000 2.358 38 V HA -0.144 3.974 4.120 -0.003 0.000 0.246 38 V C 2.641 178.952 176.094 0.363 0.000 1.047 38 V CA 3.328 65.902 62.300 0.458 0.000 1.035 38 V CB -0.298 31.785 31.823 0.432 0.000 0.658 38 V HN 0.802 nan 8.190 nan 0.000 0.452 39 Q N -0.016 119.890 119.800 0.176 0.000 2.084 39 Q HA -0.206 4.132 4.340 -0.003 0.000 0.202 39 Q C 2.115 178.196 176.000 0.134 0.000 0.978 39 Q CA 2.199 58.035 55.803 0.055 0.000 0.844 39 Q CB -0.294 28.386 28.738 -0.097 0.000 0.898 39 Q HN 0.691 nan 8.270 nan 0.000 0.426 40 E N 0.147 120.430 120.200 0.138 0.000 2.110 40 E HA -0.143 4.204 4.350 -0.003 0.000 0.193 40 E C 1.784 178.482 176.600 0.163 0.000 0.988 40 E CA 1.181 57.650 56.400 0.114 0.000 0.804 40 E CB -0.320 29.435 29.700 0.092 0.000 0.745 40 E HN 0.410 nan 8.360 nan 0.000 0.458 41 A N -0.118 122.844 122.820 0.238 0.000 1.902 41 A HA -0.163 4.155 4.320 -0.003 0.000 0.217 41 A C 1.714 179.486 177.584 0.313 0.000 1.181 41 A CA 1.264 53.455 52.037 0.256 0.000 0.623 41 A CB -0.935 18.224 19.000 0.265 0.000 0.818 41 A HN 0.368 nan 8.150 nan 0.000 0.443 42 W N -0.392 121.004 121.300 0.161 0.000 2.467 42 W HA 0.184 4.842 4.660 -0.003 0.000 0.275 42 W C 2.531 178.983 176.519 -0.112 0.000 1.239 42 W CA 0.824 58.183 57.345 0.024 0.000 1.266 42 W CB -0.198 29.250 29.460 -0.019 0.000 1.112 42 W HN 0.364 nan 8.180 nan 0.000 0.576 43 A N 0.412 123.324 122.820 0.153 0.000 2.172 43 A HA -0.089 4.229 4.320 -0.003 0.000 0.216 43 A C 1.971 179.550 177.584 -0.007 0.000 1.154 43 A CA 1.647 53.707 52.037 0.037 0.000 0.701 43 A CB -1.142 17.874 19.000 0.027 0.000 0.789 43 A HN 0.248 nan 8.150 nan 0.000 0.465 44 V N -2.520 117.407 119.914 0.022 0.000 2.759 44 V HA -0.108 4.009 4.120 -0.003 0.000 0.256 44 V C 1.857 177.877 176.094 -0.124 0.000 1.080 44 V CA 1.684 63.998 62.300 0.023 0.000 1.101 44 V CB -0.887 31.027 31.823 0.153 0.000 0.698 44 V HN 0.442 nan 8.190 nan 0.000 0.477 45 L N -0.225 120.844 121.223 -0.258 0.000 2.622 45 L HA 0.079 4.417 4.340 -0.003 0.000 0.233 45 L C 2.182 178.864 176.870 -0.314 0.000 1.156 45 L CA 0.942 55.499 54.840 -0.472 0.000 0.866 45 L CB -0.360 41.384 42.059 -0.526 0.000 0.980 45 L HN 0.429 nan 8.230 nan 0.000 0.448 46 Q N -0.605 119.083 119.800 -0.187 0.000 2.157 46 Q HA 0.162 4.500 4.340 -0.003 0.000 0.229 46 Q C -0.155 175.789 176.000 -0.094 0.000 0.827 46 Q CA -0.166 55.558 55.803 -0.132 0.000 1.055 46 Q CB 0.800 29.480 28.738 -0.095 0.000 1.157 46 Q HN 0.433 nan 8.270 nan 0.000 0.482 47 E N 0.395 120.538 120.200 -0.094 0.000 2.371 47 E HA 0.007 4.355 4.350 -0.003 0.000 0.257 47 E C 0.992 177.564 176.600 -0.047 0.000 1.134 47 E CA 0.256 56.627 56.400 -0.048 0.000 0.919 47 E CB 0.878 30.568 29.700 -0.017 0.000 1.025 47 E HN 0.189 nan 8.360 nan 0.000 0.438 48 S N 1.642 117.328 115.700 -0.023 0.000 2.392 48 S HA -0.320 4.148 4.470 -0.003 0.000 0.232 48 S C 1.241 175.833 174.600 -0.014 0.000 1.041 48 S CA 2.074 60.263 58.200 -0.018 0.000 1.026 48 S CB -0.690 62.507 63.200 -0.006 0.000 0.845 48 S HN 0.735 nan 8.310 nan 0.000 0.465 49 N N 0.383 119.082 118.700 -0.002 0.000 2.370 49 N HA 0.178 4.916 4.740 -0.003 0.000 0.198 49 N C -0.519 174.994 175.510 0.005 0.000 1.156 49 N CA -0.222 52.837 53.050 0.015 0.000 0.839 49 N CB 0.214 38.727 38.487 0.043 0.000 0.989 49 N HN 0.262 nan 8.380 nan 0.000 0.468 50 V N 1.553 121.437 119.914 -0.051 0.000 2.398 50 V HA 0.378 4.496 4.120 -0.003 0.000 0.286 50 V C -1.929 174.112 176.094 -0.088 0.000 1.026 50 V CA -1.759 60.474 62.300 -0.112 0.000 0.868 50 V CB 1.135 32.786 31.823 -0.286 0.000 0.982 50 V HN 0.098 nan 8.190 nan 0.000 0.443 51 P HA 0.174 nan 4.420 nan 0.000 0.271 51 P C 0.307 177.567 177.300 -0.066 0.000 1.233 51 P CA -0.285 62.800 63.100 -0.024 0.000 0.789 51 P CB 0.637 32.358 31.700 0.034 0.000 0.951 52 D N -0.371 119.986 120.400 -0.071 0.000 2.178 52 D HA -0.048 4.590 4.640 -0.003 0.000 0.201 52 D C 0.364 176.608 176.300 -0.093 0.000 0.980 52 D CA 1.412 55.343 54.000 -0.115 0.000 0.842 52 D CB -0.106 40.589 40.800 -0.175 0.000 0.948 52 D HN 0.061 nan 8.370 nan 0.000 0.472 53 L N 0.541 121.746 121.223 -0.031 0.000 2.406 53 L HA 0.353 4.691 4.340 -0.003 0.000 0.272 53 L C -0.751 176.232 176.870 0.189 0.000 0.980 53 L CA -0.900 53.977 54.840 0.062 0.000 0.831 53 L CB 1.888 43.963 42.059 0.027 0.000 1.253 53 L HN -0.152 nan 8.230 nan 0.000 0.406 54 V N 1.546 121.612 119.914 0.252 0.000 3.113 54 V HA 0.696 4.813 4.120 -0.003 0.000 0.316 54 V C -1.378 174.964 176.094 0.413 0.000 1.125 54 V CA -0.763 61.716 62.300 0.297 0.000 1.026 54 V CB 2.107 34.002 31.823 0.119 0.000 1.080 54 V HN 0.923 nan 8.190 nan 0.000 0.444 55 W N 1.707 123.015 121.300 0.013 0.000 2.656 55 W HA 0.687 5.345 4.660 -0.003 0.000 0.327 55 W C -1.080 175.305 176.519 -0.222 0.000 1.041 55 W CA -0.221 56.940 57.345 -0.306 0.000 1.229 55 W CB 1.966 30.996 29.460 -0.717 0.000 1.397 55 W HN 0.895 nan 8.180 nan 0.000 0.479 56 T N 5.049 119.112 114.554 -0.819 0.000 2.855 56 T HA 0.399 4.747 4.350 -0.003 0.000 0.281 56 T C 0.840 175.089 174.700 -0.751 0.000 1.007 56 T CA -0.463 61.298 62.100 -0.565 0.000 1.009 56 T CB 1.280 69.863 68.868 -0.474 0.000 0.983 56 T HN 0.630 nan 8.240 nan 0.000 0.455 57 R N 1.857 122.187 120.500 -0.283 0.000 2.310 57 R HA 0.204 4.542 4.340 -0.003 0.000 0.202 57 R C 0.530 176.743 176.300 -0.145 0.000 0.933 57 R CA -0.176 55.851 56.100 -0.121 0.000 1.054 57 R CB -0.268 30.046 30.300 0.023 0.000 0.985 57 R HN 0.554 nan 8.270 nan 0.000 0.489 58 C N 1.381 120.561 119.300 -0.200 0.000 2.656 58 C HA 0.094 4.552 4.460 -0.003 0.000 0.391 58 C C 0.868 175.828 174.990 -0.051 0.000 1.300 58 C CA -0.424 58.524 59.018 -0.116 0.000 2.302 58 C CB -0.028 27.638 27.740 -0.123 0.000 2.655 58 C HN 0.677 nan 8.230 nan 0.000 0.656 59 N N 0.667 119.381 118.700 0.023 0.000 2.716 59 N HA -0.152 4.586 4.740 -0.003 0.000 0.250 59 N C 0.742 176.298 175.510 0.077 0.000 1.033 59 N CA 0.932 54.034 53.050 0.087 0.000 0.727 59 N CB -1.146 37.461 38.487 0.199 0.000 0.950 59 N HN 1.362 nan 8.380 nan 0.000 0.541 60 G N -1.952 106.868 108.800 0.035 0.000 2.217 60 G HA2 0.099 4.057 3.960 -0.003 0.000 0.246 60 G HA3 0.099 4.057 3.960 -0.003 0.000 0.246 60 G C 0.543 175.460 174.900 0.029 0.000 0.990 60 G CA 0.309 45.435 45.100 0.044 0.000 0.627 60 G HN 1.629 nan 8.290 nan 0.000 0.522 61 G N -0.671 108.071 108.800 -0.097 0.000 3.322 61 G HA2 0.570 4.528 3.960 -0.003 0.000 0.686 61 G HA3 0.570 4.528 3.960 -0.003 0.000 0.686 61 G C -0.527 173.919 174.900 -0.757 0.000 1.015 61 G CA 0.642 45.500 45.100 -0.403 0.000 0.826 61 G HN 2.849 nan 8.290 nan 0.000 0.538 62 H N -1.488 116.635 119.070 -1.578 0.000 2.987 62 H HA 0.663 5.217 4.556 -0.003 0.000 0.316 62 H C -0.577 174.118 175.328 -1.056 0.000 1.380 62 H CA -1.614 53.732 56.048 -1.169 0.000 1.160 62 H CB 0.135 29.655 29.762 -0.402 0.000 1.865 62 H HN 0.648 nan 8.280 nan 0.000 0.521 63 W N 0.884 122.113 121.300 -0.118 0.000 2.183 63 W HA 0.630 5.288 4.660 -0.004 0.000 0.348 63 W C -0.244 176.345 176.519 0.117 0.000 1.257 63 W CA -0.575 56.822 57.345 0.087 0.000 1.324 63 W CB 0.825 30.440 29.460 0.259 0.000 1.144 63 W HN 0.455 nan 8.180 nan 0.000 0.622 64 I N 2.250 123.035 120.570 0.359 0.000 2.571 64 I HA 0.318 4.486 4.170 -0.003 0.000 0.286 64 I C -0.427 175.763 176.117 0.121 0.000 1.134 64 I CA -1.114 60.303 61.300 0.195 0.000 1.052 64 I CB 1.317 39.364 38.000 0.077 0.000 1.237 64 I HN 0.440 nan 8.210 nan 0.000 0.435 65 A N 3.296 126.153 122.820 0.062 0.000 2.362 65 A HA 0.513 4.831 4.320 -0.003 0.000 0.276 65 A C 0.925 178.482 177.584 -0.044 0.000 1.153 65 A CA -0.063 51.971 52.037 -0.004 0.000 0.813 65 A CB 0.206 19.176 19.000 -0.049 0.000 1.081 65 A HN 0.844 nan 8.150 nan 0.000 0.507 66 T N -0.227 114.278 114.554 -0.082 0.000 3.054 66 T HA 0.286 4.633 4.350 -0.003 0.000 0.255 66 T C 0.507 175.141 174.700 -0.110 0.000 1.035 66 T CA -0.183 61.851 62.100 -0.110 0.000 0.941 66 T CB 0.035 68.807 68.868 -0.160 0.000 1.026 66 T HN 0.525 nan 8.240 nan 0.000 0.533 67 R N 0.033 120.465 120.500 -0.114 0.000 2.744 67 R HA 0.582 4.920 4.340 -0.003 0.000 0.279 67 R C 1.421 177.658 176.300 -0.106 0.000 0.977 67 R CA -0.359 55.673 56.100 -0.113 0.000 0.906 67 R CB 1.227 31.448 30.300 -0.133 0.000 1.197 67 R HN 0.193 nan 8.270 nan 0.000 0.463 68 G N 0.995 109.741 108.800 -0.090 0.000 2.469 68 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.220 68 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.220 68 G C 1.108 175.953 174.900 -0.092 0.000 1.136 68 G CA 0.982 46.031 45.100 -0.085 0.000 0.759 68 G HN 0.488 nan 8.290 nan 0.000 0.562 69 Q N -0.043 119.701 119.800 -0.094 0.000 2.061 69 Q HA -0.047 4.291 4.340 -0.003 0.000 0.204 69 Q C 2.385 178.338 176.000 -0.078 0.000 0.984 69 Q CA 1.318 57.075 55.803 -0.077 0.000 0.846 69 Q CB -0.472 28.220 28.738 -0.077 0.000 0.902 69 Q HN 0.403 nan 8.270 nan 0.000 0.421 70 L N -0.426 120.698 121.223 -0.165 0.000 2.109 70 L HA -0.026 4.312 4.340 -0.003 0.000 0.207 70 L C 2.231 179.087 176.870 -0.023 0.000 1.086 70 L CA 1.135 55.895 54.840 -0.134 0.000 0.760 70 L CB -0.468 41.434 42.059 -0.263 0.000 0.910 70 L HN 0.264 nan 8.230 nan 0.000 0.437 71 I N -0.864 119.657 120.570 -0.082 0.000 2.179 71 I HA -0.317 3.851 4.170 -0.003 0.000 0.242 71 I C 2.606 178.702 176.117 -0.035 0.000 1.088 71 I CA 1.254 62.491 61.300 -0.104 0.000 1.357 71 I CB -0.248 37.730 38.000 -0.036 0.000 1.051 71 I HN 0.195 nan 8.210 nan 0.000 0.409 72 R N 0.502 120.984 120.500 -0.031 0.000 2.075 72 R HA -0.146 4.192 4.340 -0.003 0.000 0.232 72 R C 2.208 178.611 176.300 0.171 0.000 1.126 72 R CA 1.274 57.345 56.100 -0.049 0.000 0.963 72 R CB -0.270 29.849 30.300 -0.302 0.000 0.858 72 R HN 0.413 nan 8.270 nan 0.000 0.435 73 E N 0.457 120.748 120.200 0.151 0.000 2.058 73 E HA -0.200 4.147 4.350 -0.003 0.000 0.194 73 E C 2.070 178.779 176.600 0.182 0.000 0.997 73 E CA 1.266 57.819 56.400 0.256 0.000 0.801 73 E CB -0.111 29.834 29.700 0.408 0.000 0.746 73 E HN 0.379 nan 8.360 nan 0.000 0.450 74 A N 0.482 123.239 122.820 -0.105 0.000 1.902 74 A HA -0.182 4.136 4.320 -0.003 0.000 0.217 74 A C 1.805 179.242 177.584 -0.245 0.000 1.181 74 A CA 1.211 52.847 52.037 -0.668 0.000 0.623 74 A CB -0.689 17.515 19.000 -1.326 0.000 0.818 74 A HN 0.258 nan 8.150 nan 0.000 0.443 75 Y N 0.386 120.705 120.300 0.031 0.000 2.352 75 Y HA -0.081 4.467 4.550 -0.003 0.000 0.292 75 Y C 2.334 178.375 175.900 0.236 0.000 1.136 75 Y CA 1.283 59.479 58.100 0.160 0.000 1.227 75 Y CB -0.276 38.314 38.460 0.217 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.545 76 E N -0.847 119.581 120.200 0.379 0.000 2.122 76 E HA -0.119 4.229 4.350 -0.003 0.000 0.190 76 E C 0.402 177.140 176.600 0.231 0.000 0.977 76 E CA 0.769 57.343 56.400 0.292 0.000 0.820 76 E CB 0.067 29.922 29.700 0.257 0.000 0.770 76 E HN 0.120 nan 8.360 nan 0.000 0.462 77 D N 0.338 120.876 120.400 0.231 0.000 2.563 77 D HA -0.023 4.615 4.640 -0.003 0.000 0.222 77 D C 0.339 176.723 176.300 0.140 0.000 1.145 77 D CA -0.369 53.705 54.000 0.123 0.000 1.001 77 D CB -0.150 40.814 40.800 0.272 0.000 1.049 77 D HN 0.189 nan 8.370 nan 0.000 0.515 78 Y N 0.757 121.148 120.300 0.152 0.000 2.571 78 Y HA 0.108 4.656 4.550 -0.003 0.000 0.294 78 Y C 1.775 177.682 175.900 0.012 0.000 1.141 78 Y CA 0.301 58.479 58.100 0.130 0.000 1.308 78 Y CB -0.341 38.201 38.460 0.137 0.000 1.002 78 Y HN 0.065 nan 8.280 nan 0.000 0.551 79 R N -0.326 119.972 120.500 -0.336 0.000 2.115 79 R HA -0.057 4.281 4.340 -0.003 0.000 0.226 79 R C 1.304 177.333 176.300 -0.453 0.000 1.100 79 R CA 1.796 57.676 56.100 -0.365 0.000 0.980 79 R CB -0.343 29.625 30.300 -0.553 0.000 0.875 79 R HN 0.566 nan 8.270 nan 0.000 0.445 80 H N -1.961 116.871 119.070 -0.396 0.000 2.516 80 H HA 0.123 4.677 4.556 -0.003 0.000 0.284 80 H C -0.288 174.613 175.328 -0.712 0.000 0.999 80 H CA 0.214 55.835 56.048 -0.711 0.000 1.303 80 H CB 0.510 29.490 29.762 -1.304 0.000 1.452 80 H HN -0.048 nan 8.280 nan 0.000 0.530 81 F N 1.079 121.020 119.950 -0.016 0.000 2.311 81 F HA 0.300 4.824 4.527 -0.004 0.000 0.371 81 F C 0.219 176.055 175.800 0.060 0.000 1.083 81 F CA -0.735 57.261 58.000 -0.006 0.000 1.113 81 F CB 1.258 40.216 39.000 -0.071 0.000 1.349 81 F HN -0.106 nan 8.300 nan 0.000 0.470 82 S N 0.981 116.787 115.700 0.176 0.000 2.586 82 S HA 0.253 4.721 4.470 -0.003 0.000 0.274 82 S C 1.045 175.725 174.600 0.132 0.000 1.281 82 S CA -0.489 57.806 58.200 0.158 0.000 1.035 82 S CB 1.051 64.312 63.200 0.101 0.000 0.962 82 S HN 0.528 nan 8.310 nan 0.000 0.512 83 S N 2.758 118.530 115.700 0.120 0.000 2.593 83 S HA 0.057 4.525 4.470 -0.003 0.000 0.217 83 S C 1.520 176.132 174.600 0.022 0.000 0.966 83 S CA -0.083 58.137 58.200 0.033 0.000 0.914 83 S CB -0.161 63.010 63.200 -0.047 0.000 0.776 83 S HN 0.862 nan 8.310 nan 0.000 0.523 84 E N 0.316 120.548 120.200 0.054 0.000 2.160 84 E HA -0.170 4.178 4.350 -0.003 0.000 0.195 84 E C 0.304 176.915 176.600 0.020 0.000 0.991 84 E CA 0.758 57.187 56.400 0.049 0.000 0.810 84 E CB 0.097 29.829 29.700 0.054 0.000 0.742 84 E HN 0.416 nan 8.360 nan 0.000 0.466 85 C N 1.593 120.892 119.300 -0.003 0.000 3.002 85 C HA 0.419 4.877 4.460 -0.003 0.000 0.248 85 C C -2.090 172.862 174.990 -0.064 0.000 1.153 85 C CA -1.476 57.521 59.018 -0.035 0.000 1.502 85 C CB 0.939 28.683 27.740 0.008 0.000 1.805 85 C HN 0.254 nan 8.230 nan 0.000 0.450 86 P HA 0.166 nan 4.420 nan 0.000 0.261 86 P C 0.020 177.358 177.300 0.064 0.000 1.268 86 P CA 0.301 63.321 63.100 -0.134 0.000 0.833 86 P CB 0.091 31.620 31.700 -0.285 0.000 1.231 87 F N 0.159 119.892 119.950 -0.361 0.000 2.538 87 F HA 0.455 4.980 4.527 -0.003 0.000 0.325 87 F C 0.595 176.272 175.800 -0.204 0.000 1.066 87 F CA -1.494 56.325 58.000 -0.303 0.000 0.946 87 F CB 1.964 40.715 39.000 -0.416 0.000 1.199 87 F HN -0.354 nan 8.300 nan 0.000 0.473 88 I N 3.960 124.501 120.570 -0.049 0.000 2.441 88 I HA 0.303 4.471 4.170 -0.003 0.000 0.295 88 I C -2.105 174.060 176.117 0.081 0.000 0.994 88 I CA -2.509 58.751 61.300 -0.067 0.000 1.144 88 I CB 1.653 39.484 38.000 -0.281 0.000 1.314 88 I HN 0.260 nan 8.210 nan 0.000 0.445 89 P HA 0.177 nan 4.420 nan 0.000 0.273 89 P C 0.658 177.972 177.300 0.023 0.000 1.250 89 P CA -0.415 62.714 63.100 0.049 0.000 0.793 89 P CB 1.192 32.920 31.700 0.047 0.000 1.011 90 R N 0.633 121.150 120.500 0.028 0.000 2.117 90 R HA -0.215 4.123 4.340 -0.003 0.000 0.243 90 R C 1.836 178.146 176.300 0.017 0.000 1.143 90 R CA 2.059 58.175 56.100 0.026 0.000 0.968 90 R CB -0.276 30.053 30.300 0.048 0.000 0.863 90 R HN 0.450 nan 8.270 nan 0.000 0.444 91 E N 0.110 120.326 120.200 0.027 0.000 2.085 91 E HA -0.177 4.171 4.350 -0.003 0.000 0.194 91 E C 1.847 178.460 176.600 0.021 0.000 0.994 91 E CA 1.573 57.994 56.400 0.035 0.000 0.801 91 E CB -0.251 29.479 29.700 0.049 0.000 0.743 91 E HN 0.475 nan 8.360 nan 0.000 0.453 92 A N 0.770 123.579 122.820 -0.019 0.000 1.897 92 A HA 0.012 4.330 4.320 -0.003 0.000 0.215 92 A C 2.481 179.828 177.584 -0.394 0.000 1.181 92 A CA 1.523 53.433 52.037 -0.212 0.000 0.620 92 A CB -1.198 17.709 19.000 -0.155 0.000 0.821 92 A HN 0.347 nan 8.150 nan 0.000 0.443 93 G N -0.444 108.251 108.800 -0.175 0.000 2.422 93 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.218 93 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.218 93 G C 1.420 176.259 174.900 -0.102 0.000 1.146 93 G CA 0.998 46.002 45.100 -0.161 0.000 0.769 93 G HN 0.654 nan 8.290 nan 0.000 0.547 94 E N 0.339 120.512 120.200 -0.046 0.000 2.107 94 E HA 0.036 4.384 4.350 -0.003 0.000 0.191 94 E C 2.849 179.458 176.600 0.015 0.000 0.982 94 E CA 0.683 57.083 56.400 -0.001 0.000 0.809 94 E CB -0.101 29.611 29.700 0.020 0.000 0.756 94 E HN 0.418 nan 8.360 nan 0.000 0.459 95 A N 0.750 123.586 122.820 0.027 0.000 2.067 95 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 95 A C 0.763 178.405 177.584 0.095 0.000 1.156 95 A CA 0.146 52.244 52.037 0.101 0.000 0.683 95 A CB -0.404 18.741 19.000 0.243 0.000 0.808 95 A HN 0.297 nan 8.150 nan 0.000 0.455 96 Y N 2.437 122.614 120.300 -0.205 0.000 2.677 96 Y HA 0.192 4.740 4.550 -0.003 0.000 0.335 96 Y C 0.227 175.972 175.900 -0.258 0.000 1.162 96 Y CA -0.100 57.780 58.100 -0.367 0.000 1.483 96 Y CB 0.459 38.464 38.460 -0.758 0.000 1.209 96 Y HN 0.442 nan 8.280 nan 0.000 0.528 97 D N 4.150 124.274 120.400 -0.459 0.000 2.636 97 D HA 0.034 4.672 4.640 -0.003 0.000 0.270 97 D C -0.659 175.553 176.300 -0.147 0.000 1.430 97 D CA -0.366 53.526 54.000 -0.180 0.000 0.796 97 D CB -0.919 39.852 40.800 -0.048 0.000 1.117 97 D HN 0.137 nan 8.370 nan 0.000 0.480 98 F N 1.203 120.904 119.950 -0.415 0.000 2.545 98 F HA 0.302 4.828 4.527 -0.003 0.000 0.348 98 F C 1.226 176.957 175.800 -0.114 0.000 1.163 98 F CA -0.691 57.150 58.000 -0.266 0.000 1.331 98 F CB 0.416 39.173 39.000 -0.406 0.000 1.138 98 F HN -0.101 nan 8.300 nan 0.000 0.602 99 I N 4.067 124.688 120.570 0.086 0.000 2.474 99 I HA 0.227 4.395 4.170 -0.003 0.000 0.294 99 I C -1.816 174.296 176.117 -0.008 0.000 1.005 99 I CA -1.745 59.508 61.300 -0.078 0.000 1.113 99 I CB 2.253 40.030 38.000 -0.372 0.000 1.289 99 I HN 0.355 nan 8.210 nan 0.000 0.436 100 P HA 0.065 nan 4.420 nan 0.000 0.255 100 P C 1.163 178.612 177.300 0.249 0.000 1.248 100 P CA 0.370 63.533 63.100 0.104 0.000 0.807 100 P CB 0.200 31.997 31.700 0.161 0.000 1.150 101 T N -0.391 114.320 114.554 0.261 0.000 2.849 101 T HA -0.128 4.220 4.350 -0.003 0.000 0.270 101 T C 1.632 176.443 174.700 0.185 0.000 1.066 101 T CA 2.001 64.240 62.100 0.232 0.000 1.130 101 T CB -0.614 68.443 68.868 0.314 0.000 0.864 101 T HN 0.285 nan 8.240 nan 0.000 0.481 102 S N -0.298 115.558 115.700 0.260 0.000 2.605 102 S HA 0.362 4.830 4.470 -0.003 0.000 0.217 102 S C 0.388 175.067 174.600 0.132 0.000 0.958 102 S CA -0.444 57.874 58.200 0.197 0.000 0.919 102 S CB -0.355 62.983 63.200 0.229 0.000 0.780 102 S HN 0.333 nan 8.310 nan 0.000 0.507 103 M N 1.734 121.438 119.600 0.172 0.000 2.598 103 M HA 0.530 5.008 4.480 -0.003 0.000 0.317 103 M C -1.045 175.383 176.300 0.213 0.000 1.179 103 M CA -0.676 54.717 55.300 0.156 0.000 0.936 103 M CB 1.613 34.286 32.600 0.122 0.000 1.713 103 M HN 0.016 nan 8.290 nan 0.000 0.460 104 D N 1.435 121.910 120.400 0.125 0.000 2.326 104 D HA 0.518 5.156 4.640 -0.003 0.000 0.248 104 D C -2.497 173.742 176.300 -0.100 0.000 1.001 104 D CA -1.268 52.766 54.000 0.056 0.000 0.961 104 D CB 1.328 42.183 40.800 0.092 0.000 1.183 104 D HN 0.156 nan 8.370 nan 0.000 0.502 105 P HA 0.129 nan 4.420 nan 0.000 0.272 105 P C -1.656 175.547 177.300 -0.161 0.000 1.230 105 P CA -0.814 62.074 63.100 -0.354 0.000 0.788 105 P CB 0.419 31.695 31.700 -0.707 0.000 0.949 106 P HA -0.084 nan 4.420 nan 0.000 0.230 106 P C 1.117 178.398 177.300 -0.030 0.000 1.168 106 P CA 1.010 64.076 63.100 -0.056 0.000 0.793 106 P CB 0.068 31.759 31.700 -0.015 0.000 0.851 107 E N 0.886 121.095 120.200 0.014 0.000 2.160 107 E HA -0.253 4.094 4.350 -0.003 0.000 0.195 107 E C 2.225 178.916 176.600 0.151 0.000 0.991 107 E CA 0.770 57.215 56.400 0.076 0.000 0.810 107 E CB -0.671 29.100 29.700 0.117 0.000 0.742 107 E HN 0.190 nan 8.360 nan 0.000 0.466 108 Q N 1.342 121.201 119.800 0.098 0.000 2.096 108 Q HA -0.229 4.109 4.340 -0.003 0.000 0.204 108 Q C 2.234 178.303 176.000 0.116 0.000 0.982 108 Q CA 1.704 57.587 55.803 0.134 0.000 0.850 108 Q CB -0.080 28.638 28.738 -0.033 0.000 0.901 108 Q HN 0.375 nan 8.270 nan 0.000 0.422 109 R N 0.474 120.963 120.500 -0.018 0.000 2.103 109 R HA -0.226 4.112 4.340 -0.003 0.000 0.242 109 R C 2.530 178.798 176.300 -0.053 0.000 1.142 109 R CA 2.078 58.147 56.100 -0.051 0.000 0.960 109 R CB -0.562 29.689 30.300 -0.081 0.000 0.858 109 R HN 0.585 nan 8.270 nan 0.000 0.439 110 Q N -0.026 119.699 119.800 -0.126 0.000 2.234 110 Q HA -0.155 4.183 4.340 -0.003 0.000 0.206 110 Q C 1.423 177.233 176.000 -0.315 0.000 0.980 110 Q CA 1.536 57.181 55.803 -0.265 0.000 0.869 110 Q CB -0.302 28.187 28.738 -0.415 0.000 0.912 110 Q HN 0.375 nan 8.270 nan 0.000 0.436 111 F N 0.792 120.732 119.950 -0.017 0.000 2.615 111 F HA 0.181 4.706 4.527 -0.003 0.000 0.297 111 F C 2.336 178.133 175.800 -0.005 0.000 1.124 111 F CA 0.208 58.205 58.000 -0.004 0.000 1.451 111 F CB 0.105 39.112 39.000 0.011 0.000 1.103 111 F HN -0.064 nan 8.300 nan 0.000 0.569 112 R N 0.338 120.913 120.500 0.125 0.000 2.096 112 R HA -0.123 4.215 4.340 -0.003 0.000 0.235 112 R C 2.464 178.788 176.300 0.041 0.000 1.127 112 R CA 1.163 57.305 56.100 0.070 0.000 0.968 112 R CB -0.625 29.687 30.300 0.021 0.000 0.861 112 R HN 0.275 nan 8.270 nan 0.000 0.440 113 A N 1.090 123.918 122.820 0.012 0.000 1.933 113 A HA -0.160 4.158 4.320 -0.003 0.000 0.218 113 A C 2.038 179.629 177.584 0.013 0.000 1.175 113 A CA 1.059 53.096 52.037 -0.000 0.000 0.628 113 A CB -0.397 18.587 19.000 -0.026 0.000 0.814 113 A HN 0.230 nan 8.150 nan 0.000 0.444 114 L N -0.300 120.940 121.223 0.027 0.000 2.056 114 L HA 0.009 4.347 4.340 -0.003 0.000 0.207 114 L C 2.649 179.550 176.870 0.051 0.000 1.078 114 L CA 2.121 56.985 54.840 0.040 0.000 0.749 114 L CB -0.849 41.250 42.059 0.067 0.000 0.901 114 L HN 0.324 nan 8.230 nan 0.000 0.433 115 A N -0.535 122.327 122.820 0.071 0.000 1.933 115 A HA -0.269 4.049 4.320 -0.003 0.000 0.218 115 A C 2.173 179.785 177.584 0.046 0.000 1.175 115 A CA 1.818 53.893 52.037 0.063 0.000 0.628 115 A CB -1.013 18.031 19.000 0.073 0.000 0.814 115 A HN 0.621 nan 8.150 nan 0.000 0.444 116 N N -0.294 118.429 118.700 0.039 0.000 2.223 116 N HA -0.167 4.571 4.740 -0.003 0.000 0.185 116 N C 1.834 177.357 175.510 0.023 0.000 1.016 116 N CA 1.549 54.618 53.050 0.032 0.000 0.863 116 N CB -0.264 38.237 38.487 0.024 0.000 0.983 116 N HN 0.627 nan 8.380 nan 0.000 0.429 117 Q N -0.724 119.086 119.800 0.017 0.000 2.226 117 Q HA -0.080 4.257 4.340 -0.003 0.000 0.204 117 Q C 1.671 177.675 176.000 0.008 0.000 0.975 117 Q CA 1.510 57.318 55.803 0.008 0.000 0.866 117 Q CB 0.186 28.927 28.738 0.005 0.000 0.915 117 Q HN 0.511 nan 8.270 nan 0.000 0.440 118 V N -3.483 116.441 119.914 0.017 0.000 3.661 118 V HA 0.102 4.220 4.120 -0.003 0.000 0.271 118 V C 1.398 177.506 176.094 0.023 0.000 1.315 118 V CA 0.448 62.755 62.300 0.012 0.000 1.072 118 V CB 0.713 32.544 31.823 0.013 0.000 0.830 118 V HN 0.207 nan 8.190 nan 0.000 0.443 119 V N -2.775 117.161 119.914 0.038 0.000 3.392 119 V HA 0.692 4.810 4.120 -0.003 0.000 0.294 119 V C 1.081 177.207 176.094 0.054 0.000 1.561 119 V CA 0.308 62.638 62.300 0.051 0.000 1.056 119 V CB -0.543 31.322 31.823 0.070 0.000 0.882 119 V HN 0.431 nan 8.190 nan 0.000 0.440 120 G N 0.033 108.863 108.800 0.049 0.000 2.631 120 G HA2 0.302 4.260 3.960 -0.003 0.000 0.271 120 G HA3 0.302 4.260 3.960 -0.003 0.000 0.271 120 G C 0.562 175.484 174.900 0.037 0.000 1.302 120 G CA 0.290 45.431 45.100 0.067 0.000 1.002 120 G HN 0.176 nan 8.290 nan 0.000 0.519 121 M N 0.571 120.148 119.600 -0.037 0.000 2.082 121 M HA -0.019 4.459 4.480 -0.003 0.000 0.258 121 M C -0.147 176.111 176.300 -0.069 0.000 1.069 121 M CA 1.783 57.002 55.300 -0.135 0.000 1.102 121 M CB -1.150 31.244 32.600 -0.343 0.000 1.336 121 M HN 0.308 nan 8.290 nan 0.000 0.404 122 P HA -0.156 nan 4.420 nan 0.000 0.216 122 P C 1.708 178.995 177.300 -0.022 0.000 1.150 122 P CA 1.452 64.530 63.100 -0.038 0.000 0.843 122 P CB -0.165 31.516 31.700 -0.032 0.000 0.787 123 V N -0.766 119.140 119.914 -0.013 0.000 2.427 123 V HA -0.161 3.957 4.120 -0.003 0.000 0.248 123 V C 2.360 178.453 176.094 -0.002 0.000 1.051 123 V CA 1.491 63.787 62.300 -0.007 0.000 1.048 123 V CB -1.114 30.709 31.823 -0.001 0.000 0.666 123 V HN -0.029 nan 8.190 nan 0.000 0.456 124 V N 0.293 120.211 119.914 0.006 0.000 2.720 124 V HA -0.235 3.882 4.120 -0.003 0.000 0.256 124 V C 2.096 178.196 176.094 0.011 0.000 1.082 124 V CA 1.916 64.226 62.300 0.016 0.000 1.101 124 V CB -0.692 31.149 31.823 0.030 0.000 0.693 124 V HN 0.559 nan 8.190 nan 0.000 0.479 125 D N -0.214 120.185 120.400 -0.001 0.000 2.234 125 D HA -0.092 4.546 4.640 -0.003 0.000 0.205 125 D C 2.159 178.460 176.300 0.001 0.000 0.962 125 D CA 0.834 54.834 54.000 -0.001 0.000 0.855 125 D CB -0.066 40.728 40.800 -0.011 0.000 0.951 125 D HN 0.413 nan 8.370 nan 0.000 0.500 126 K N 0.247 120.645 120.400 -0.003 0.000 2.288 126 K HA 0.040 4.358 4.320 -0.003 0.000 0.201 126 K C 1.378 177.977 176.600 -0.003 0.000 1.048 126 K CA 0.556 56.839 56.287 -0.006 0.000 0.956 126 K CB 0.201 32.694 32.500 -0.012 0.000 0.746 126 K HN 0.114 nan 8.250 nan 0.000 0.461 127 L N -0.017 121.207 121.223 0.001 0.000 2.766 127 L HA 0.153 4.491 4.340 -0.003 0.000 0.242 127 L C 1.605 178.489 176.870 0.023 0.000 1.136 127 L CA -0.238 54.605 54.840 0.004 0.000 0.933 127 L CB 0.269 42.323 42.059 -0.007 0.000 1.241 127 L HN 0.093 nan 8.230 nan 0.000 0.522 128 E N 1.843 122.059 120.200 0.027 0.000 2.068 128 E HA -0.307 4.040 4.350 -0.003 0.000 0.207 128 E C 1.637 178.269 176.600 0.054 0.000 1.032 128 E CA 2.450 58.875 56.400 0.042 0.000 0.839 128 E CB -0.124 29.596 29.700 0.033 0.000 0.758 128 E HN 0.488 nan 8.360 nan 0.000 0.457 129 N N -0.950 117.775 118.700 0.042 0.000 2.120 129 N HA -0.141 4.597 4.740 -0.003 0.000 0.188 129 N C 1.824 177.368 175.510 0.057 0.000 1.024 129 N CA 0.783 53.861 53.050 0.046 0.000 0.852 129 N CB -0.036 38.470 38.487 0.032 0.000 1.003 129 N HN 0.050 nan 8.380 nan 0.000 0.424 130 R N 1.102 121.631 120.500 0.048 0.000 2.092 130 R HA 0.002 4.340 4.340 -0.003 0.000 0.231 130 R C 2.123 178.477 176.300 0.090 0.000 1.119 130 R CA 0.671 56.803 56.100 0.053 0.000 0.970 130 R CB -0.830 29.485 30.300 0.026 0.000 0.864 130 R HN 0.384 nan 8.270 nan 0.000 0.440 131 I N 0.847 121.477 120.570 0.100 0.000 2.179 131 I HA -0.298 3.870 4.170 -0.003 0.000 0.242 131 I C 2.641 178.929 176.117 0.285 0.000 1.088 131 I CA 1.290 62.699 61.300 0.182 0.000 1.357 131 I CB -0.322 37.767 38.000 0.148 0.000 1.051 131 I HN 0.094 nan 8.210 nan 0.000 0.409 132 Q N 1.427 121.338 119.800 0.185 0.000 2.030 132 Q HA -0.283 4.055 4.340 -0.003 0.000 0.204 132 Q C 2.042 178.122 176.000 0.133 0.000 0.986 132 Q CA 2.149 58.043 55.803 0.151 0.000 0.843 132 Q CB -0.325 28.473 28.738 0.100 0.000 0.904 132 Q HN 0.474 nan 8.270 nan 0.000 0.420 133 E N -0.819 119.448 120.200 0.113 0.000 2.058 133 E HA -0.220 4.128 4.350 -0.003 0.000 0.194 133 E C 1.893 178.562 176.600 0.114 0.000 0.997 133 E CA 1.376 57.831 56.400 0.092 0.000 0.801 133 E CB -0.264 29.478 29.700 0.071 0.000 0.746 133 E HN 0.393 nan 8.360 nan 0.000 0.450 134 L N 0.847 122.169 121.223 0.165 0.000 2.046 134 L HA -0.083 4.254 4.340 -0.003 0.000 0.208 134 L C 2.267 179.267 176.870 0.217 0.000 1.077 134 L CA 2.141 57.101 54.840 0.200 0.000 0.747 134 L CB -0.768 41.440 42.059 0.249 0.000 0.896 134 L HN 0.197 nan 8.230 nan 0.000 0.432 135 A N -1.237 121.715 122.820 0.219 0.000 1.858 135 A HA -0.251 4.067 4.320 -0.003 0.000 0.216 135 A C 2.405 180.031 177.584 0.069 0.000 1.190 135 A CA 1.932 53.967 52.037 -0.002 0.000 0.617 135 A CB -1.502 17.411 19.000 -0.145 0.000 0.827 135 A HN 0.609 nan 8.150 nan 0.000 0.443 136 C N -1.181 118.152 119.300 0.055 0.000 2.413 136 C HA -0.069 4.389 4.460 -0.003 0.000 0.276 136 C C 3.303 178.308 174.990 0.024 0.000 1.248 136 C CA 1.377 60.407 59.018 0.020 0.000 1.742 136 C CB -1.215 26.537 27.740 0.021 0.000 2.017 136 C HN 0.693 nan 8.230 nan 0.000 0.481 137 S N 0.334 116.067 115.700 0.055 0.000 2.348 137 S HA -0.107 4.361 4.470 -0.003 0.000 0.221 137 S C 1.755 176.394 174.600 0.065 0.000 1.033 137 S CA 1.475 59.707 58.200 0.053 0.000 1.010 137 S CB -0.303 62.937 63.200 0.065 0.000 0.891 137 S HN 0.601 nan 8.310 nan 0.000 0.442 138 L N 0.800 122.089 121.223 0.111 0.000 2.083 138 L HA -0.070 4.268 4.340 -0.003 0.000 0.209 138 L C 2.351 179.299 176.870 0.131 0.000 1.083 138 L CA 1.199 56.132 54.840 0.154 0.000 0.752 138 L CB -0.505 41.699 42.059 0.241 0.000 0.899 138 L HN 0.379 nan 8.230 nan 0.000 0.433 139 I N -0.434 120.175 120.570 0.065 0.000 2.286 139 I HA -0.232 3.936 4.170 -0.003 0.000 0.245 139 I C 2.588 178.599 176.117 -0.177 0.000 1.104 139 I CA 0.937 62.147 61.300 -0.150 0.000 1.397 139 I CB -0.226 37.602 38.000 -0.286 0.000 1.072 139 I HN 0.228 nan 8.210 nan 0.000 0.417 140 E N 0.936 121.077 120.200 -0.098 0.000 2.153 140 E HA -0.229 4.119 4.350 -0.003 0.000 0.194 140 E C 2.184 178.766 176.600 -0.030 0.000 0.988 140 E CA 1.675 58.029 56.400 -0.077 0.000 0.811 140 E CB -0.221 29.453 29.700 -0.043 0.000 0.746 140 E HN 0.262 nan 8.360 nan 0.000 0.466 141 S N -1.039 114.663 115.700 0.004 0.000 2.402 141 S HA -0.018 4.450 4.470 -0.003 0.000 0.229 141 S C 1.770 176.404 174.600 0.057 0.000 1.021 141 S CA 0.976 59.196 58.200 0.033 0.000 0.974 141 S CB -0.164 63.065 63.200 0.049 0.000 0.800 141 S HN 0.374 nan 8.310 nan 0.000 0.484 142 L N 0.677 121.940 121.223 0.066 0.000 2.162 142 L HA 0.160 4.498 4.340 -0.003 0.000 0.205 142 L C 2.712 179.734 176.870 0.253 0.000 1.086 142 L CA 0.666 55.602 54.840 0.160 0.000 0.778 142 L CB -0.553 41.630 42.059 0.207 0.000 0.928 142 L HN 0.266 nan 8.230 nan 0.000 0.446 143 R N 1.090 121.641 120.500 0.085 0.000 2.159 143 R HA -0.215 4.123 4.340 -0.003 0.000 0.249 143 R C -0.542 175.943 176.300 0.309 0.000 1.136 143 R CA 2.520 58.690 56.100 0.115 0.000 0.951 143 R CB -1.359 28.886 30.300 -0.093 0.000 0.876 143 R HN 0.252 nan 8.270 nan 0.000 0.440 144 P HA -0.103 nan 4.420 nan 0.000 0.226 144 P C 0.525 177.859 177.300 0.056 0.000 1.153 144 P CA 1.234 64.395 63.100 0.103 0.000 0.777 144 P CB -0.028 31.702 31.700 0.050 0.000 0.794 145 Q N -0.472 119.360 119.800 0.054 0.000 2.230 145 Q HA 0.043 4.381 4.340 -0.003 0.000 0.202 145 Q C 1.551 177.368 176.000 -0.305 0.000 0.963 145 Q CA 1.033 56.791 55.803 -0.076 0.000 0.866 145 Q CB -0.542 28.172 28.738 -0.039 0.000 0.931 145 Q HN 0.290 nan 8.270 nan 0.000 0.452 146 G N 1.380 109.838 108.800 -0.571 0.000 2.153 146 G HA2 -0.318 3.639 3.960 -0.003 0.000 0.252 146 G HA3 -0.318 3.639 3.960 -0.003 0.000 0.252 146 G C -0.122 173.788 174.900 -1.650 0.000 0.994 146 G CA 0.804 45.115 45.100 -1.315 0.000 0.698 146 G HN 0.460 nan 8.290 nan 0.000 0.521 147 Q N -1.988 116.896 119.800 -1.526 0.000 2.721 147 Q HA 0.592 4.930 4.340 -0.003 0.000 0.282 147 Q C -0.436 175.396 176.000 -0.280 0.000 0.932 147 Q CA -0.747 54.539 55.803 -0.862 0.000 0.816 147 Q CB 1.305 29.808 28.738 -0.392 0.000 1.506 147 Q HN 1.553 nan 8.270 nan 0.000 0.399 148 C N -0.661 118.674 119.300 0.058 0.000 3.292 148 C HA 0.656 5.114 4.460 -0.003 0.000 0.338 148 C C -1.660 173.460 174.990 0.217 0.000 1.323 148 C CA -0.781 58.374 59.018 0.228 0.000 1.232 148 C CB 0.924 28.949 27.740 0.475 0.000 1.517 148 C HN 1.035 nan 8.230 nan 0.000 0.470 149 N N 0.883 119.691 118.700 0.180 0.000 2.817 149 N HA 0.380 5.118 4.740 -0.003 0.000 0.234 149 N C 0.234 175.850 175.510 0.176 0.000 1.066 149 N CA -0.521 52.618 53.050 0.149 0.000 0.926 149 N CB 0.592 39.131 38.487 0.088 0.000 1.176 149 N HN 0.622 nan 8.380 nan 0.000 0.506 150 F N 2.017 122.017 119.950 0.082 0.000 2.115 150 F HA -0.313 4.212 4.527 -0.004 0.000 0.300 150 F C 2.616 178.444 175.800 0.047 0.000 1.092 150 F CA 1.983 60.014 58.000 0.052 0.000 1.245 150 F CB -0.317 38.641 39.000 -0.071 0.000 0.995 150 F HN 0.423 nan 8.300 nan 0.000 0.481 151 T N -1.385 113.192 114.554 0.038 0.000 2.684 151 T HA -0.283 4.065 4.350 -0.003 0.000 0.267 151 T C 1.681 176.321 174.700 -0.101 0.000 1.036 151 T CA 1.636 63.703 62.100 -0.056 0.000 1.148 151 T CB -0.852 68.016 68.868 -0.000 0.000 0.863 151 T HN 0.679 nan 8.240 nan 0.000 0.436 152 E N 0.597 120.771 120.200 -0.043 0.000 2.340 152 E HA -0.001 4.347 4.350 -0.003 0.000 0.194 152 E C 1.208 177.789 176.600 -0.032 0.000 0.996 152 E CA 0.591 56.971 56.400 -0.033 0.000 0.869 152 E CB -0.057 29.644 29.700 0.001 0.000 0.835 152 E HN 0.382 nan 8.360 nan 0.000 0.493 153 D N -0.575 119.814 120.400 -0.019 0.000 2.305 153 D HA -0.006 4.632 4.640 -0.003 0.000 0.206 153 D C 0.649 176.974 176.300 0.043 0.000 0.974 153 D CA 0.800 54.823 54.000 0.038 0.000 0.871 153 D CB 0.249 41.123 40.800 0.123 0.000 0.947 153 D HN 0.296 nan 8.370 nan 0.000 0.516 154 Y N -0.340 119.783 120.300 -0.295 0.000 3.006 154 Y HA 0.326 4.874 4.550 -0.004 0.000 0.236 154 Y C 1.951 177.624 175.900 -0.379 0.000 1.088 154 Y CA 0.562 58.458 58.100 -0.339 0.000 1.307 154 Y CB -0.204 37.978 38.460 -0.465 0.000 1.445 154 Y HN -0.148 nan 8.280 nan 0.000 0.433 155 A N 0.944 123.411 122.820 -0.588 0.000 1.917 155 A HA -0.224 4.094 4.320 -0.003 0.000 0.219 155 A C 1.801 179.283 177.584 -0.169 0.000 1.182 155 A CA 2.487 54.332 52.037 -0.319 0.000 0.633 155 A CB -0.586 18.252 19.000 -0.271 0.000 0.819 155 A HN 0.692 nan 8.150 nan 0.000 0.448 156 E N -0.912 119.189 120.200 -0.166 0.000 2.024 156 E HA -0.068 4.280 4.350 -0.003 0.000 0.190 156 E C -0.533 176.005 176.600 -0.103 0.000 0.974 156 E CA 0.639 56.977 56.400 -0.104 0.000 0.810 156 E CB -0.614 29.042 29.700 -0.073 0.000 0.775 156 E HN 0.490 nan 8.360 nan 0.000 0.453 157 P HA -0.210 nan 4.420 nan 0.000 0.216 157 P C 1.358 178.607 177.300 -0.084 0.000 1.150 157 P CA 1.200 64.253 63.100 -0.077 0.000 0.837 157 P CB -0.048 31.620 31.700 -0.052 0.000 0.786 158 F N 2.633 122.358 119.950 -0.375 0.000 2.031 158 F HA -0.030 4.494 4.527 -0.004 0.000 0.295 158 F C -0.847 174.843 175.800 -0.183 0.000 1.133 158 F CA 1.493 59.259 58.000 -0.390 0.000 1.188 158 F CB -1.972 36.520 39.000 -0.846 0.000 0.974 158 F HN -0.030 nan 8.300 nan 0.000 0.473 159 P HA -0.135 nan 4.420 nan 0.000 0.217 159 P C 2.126 179.316 177.300 -0.182 0.000 1.151 159 P CA 1.462 64.334 63.100 -0.379 0.000 0.828 159 P CB -0.081 31.520 31.700 -0.165 0.000 0.788 160 I N -0.320 120.185 120.570 -0.109 0.000 2.226 160 I HA -0.168 4.000 4.170 -0.003 0.000 0.245 160 I C 2.275 178.401 176.117 0.014 0.000 1.100 160 I CA 1.570 62.858 61.300 -0.020 0.000 1.374 160 I CB -1.277 36.708 38.000 -0.024 0.000 1.057 160 I HN 0.005 nan 8.210 nan 0.000 0.413 161 R N 0.371 120.847 120.500 -0.039 0.000 2.115 161 R HA -0.058 4.280 4.340 -0.003 0.000 0.230 161 R C 2.335 178.609 176.300 -0.043 0.000 1.111 161 R CA 1.021 57.106 56.100 -0.024 0.000 0.976 161 R CB -0.184 30.103 30.300 -0.022 0.000 0.870 161 R HN 0.336 nan 8.270 nan 0.000 0.445 162 I N -0.117 120.393 120.570 -0.101 0.000 2.252 162 I HA -0.274 3.894 4.170 -0.003 0.000 0.245 162 I C 2.126 178.216 176.117 -0.044 0.000 1.102 162 I CA 1.146 62.380 61.300 -0.109 0.000 1.385 162 I CB -0.211 37.654 38.000 -0.226 0.000 1.064 162 I HN 0.083 nan 8.210 nan 0.000 0.414 163 F N 1.303 121.182 119.950 -0.119 0.000 2.146 163 F HA -0.231 4.294 4.527 -0.003 0.000 0.298 163 F C 2.484 178.254 175.800 -0.049 0.000 1.096 163 F CA 1.547 59.500 58.000 -0.079 0.000 1.275 163 F CB -0.111 38.843 39.000 -0.077 0.000 1.008 163 F HN -0.072 nan 8.300 nan 0.000 0.480 164 M N -0.340 119.235 119.600 -0.041 0.000 2.213 164 M HA -0.135 4.343 4.480 -0.003 0.000 0.263 164 M C 2.252 178.456 176.300 -0.159 0.000 1.062 164 M CA 1.162 56.403 55.300 -0.099 0.000 1.105 164 M CB -1.489 31.125 32.600 0.024 0.000 1.385 164 M HN 0.366 nan 8.290 nan 0.000 0.417 165 L N 0.782 121.930 121.223 -0.125 0.000 2.017 165 L HA -0.130 4.208 4.340 -0.003 0.000 0.208 165 L C 2.308 179.085 176.870 -0.155 0.000 1.073 165 L CA 1.540 56.316 54.840 -0.106 0.000 0.745 165 L CB -1.043 40.972 42.059 -0.072 0.000 0.894 165 L HN 0.255 nan 8.230 nan 0.000 0.432 166 L N -0.179 120.915 121.223 -0.216 0.000 2.079 166 L HA -0.090 4.248 4.340 -0.003 0.000 0.210 166 L C 2.192 178.886 176.870 -0.295 0.000 1.081 166 L CA 1.887 56.586 54.840 -0.235 0.000 0.752 166 L CB -0.538 41.374 42.059 -0.245 0.000 0.896 166 L HN 0.299 nan 8.230 nan 0.000 0.433 167 A N -0.892 121.655 122.820 -0.454 0.000 2.251 167 A HA 0.348 4.666 4.320 -0.003 0.000 0.209 167 A C 1.570 179.042 177.584 -0.187 0.000 1.187 167 A CA 0.465 52.273 52.037 -0.381 0.000 0.823 167 A CB -0.747 17.889 19.000 -0.607 0.000 0.846 167 A HN 0.770 nan 8.150 nan 0.000 0.486 168 G N -0.507 108.203 108.800 -0.151 0.000 2.246 168 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.273 168 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.273 168 G C -0.149 174.725 174.900 -0.042 0.000 1.055 168 G CA 0.564 45.616 45.100 -0.080 0.000 0.851 168 G HN 0.483 nan 8.290 nan 0.000 0.500 169 L N 0.631 121.836 121.223 -0.030 0.000 2.334 169 L HA 0.553 4.891 4.340 -0.003 0.000 0.276 169 L C -1.613 175.286 176.870 0.047 0.000 1.014 169 L CA -2.503 52.364 54.840 0.046 0.000 0.815 169 L CB 2.051 44.180 42.059 0.117 0.000 1.268 169 L HN -0.027 nan 8.230 nan 0.000 0.428 170 P HA 0.070 nan 4.420 nan 0.000 0.271 170 P C -0.163 177.174 177.300 0.061 0.000 1.220 170 P CA -0.131 63.003 63.100 0.056 0.000 0.768 170 P CB 0.905 32.640 31.700 0.059 0.000 0.848 171 E N 1.959 122.183 120.200 0.040 0.000 2.265 171 E HA -0.204 4.144 4.350 -0.003 0.000 0.196 171 E C 1.490 178.115 176.600 0.042 0.000 0.996 171 E CA 1.097 57.520 56.400 0.038 0.000 0.832 171 E CB 0.043 29.758 29.700 0.025 0.000 0.756 171 E HN 0.687 nan 8.360 nan 0.000 0.491 172 E N 0.900 121.127 120.200 0.044 0.000 2.409 172 E HA -0.164 4.184 4.350 -0.003 0.000 0.198 172 E C 0.723 177.358 176.600 0.059 0.000 1.024 172 E CA 0.816 57.242 56.400 0.043 0.000 0.861 172 E CB 0.067 29.789 29.700 0.037 0.000 0.788 172 E HN 0.106 nan 8.360 nan 0.000 0.521 173 D N 0.744 121.191 120.400 0.079 0.000 2.340 173 D HA 0.106 4.744 4.640 -0.003 0.000 0.220 173 D C 1.697 178.032 176.300 0.058 0.000 1.039 173 D CA 0.112 54.171 54.000 0.098 0.000 0.866 173 D CB 0.070 40.971 40.800 0.169 0.000 0.913 173 D HN 0.294 nan 8.370 nan 0.000 0.523 174 I N 1.436 122.034 120.570 0.046 0.000 2.163 174 I HA -0.215 3.953 4.170 -0.003 0.000 0.243 174 I C -0.570 175.564 176.117 0.028 0.000 1.085 174 I CA 1.241 62.557 61.300 0.026 0.000 1.347 174 I CB -1.258 36.757 38.000 0.024 0.000 1.044 174 I HN -0.001 nan 8.210 nan 0.000 0.408 175 P HA -0.222 nan 4.420 nan 0.000 0.216 175 P C 1.493 178.850 177.300 0.095 0.000 1.153 175 P CA 1.671 64.808 63.100 0.061 0.000 0.858 175 P CB -0.065 31.667 31.700 0.053 0.000 0.789 176 H N -0.567 118.502 119.070 -0.001 0.000 2.326 176 H HA -0.035 4.519 4.556 -0.004 0.000 0.301 176 H C 1.823 177.143 175.328 -0.014 0.000 1.081 176 H CA 1.472 57.520 56.048 0.001 0.000 1.334 176 H CB -0.996 28.751 29.762 -0.025 0.000 1.385 176 H HN -0.054 nan 8.280 nan 0.000 0.504 177 L N -0.079 121.049 121.223 -0.158 0.000 2.046 177 L HA -0.148 4.189 4.340 -0.003 0.000 0.208 177 L C 2.526 179.290 176.870 -0.175 0.000 1.077 177 L CA 1.645 56.326 54.840 -0.264 0.000 0.747 177 L CB -0.424 41.490 42.059 -0.240 0.000 0.896 177 L HN 0.225 nan 8.230 nan 0.000 0.432 178 K N -0.067 120.281 120.400 -0.087 0.000 2.097 178 K HA -0.246 4.072 4.320 -0.003 0.000 0.205 178 K C 2.115 178.681 176.600 -0.058 0.000 1.050 178 K CA 1.506 57.755 56.287 -0.063 0.000 0.938 178 K CB -0.588 31.899 32.500 -0.021 0.000 0.718 178 K HN 0.205 nan 8.250 nan 0.000 0.442 179 Y N 0.771 120.999 120.300 -0.120 0.000 2.145 179 Y HA -0.135 4.413 4.550 -0.004 0.000 0.286 179 Y C 1.610 177.429 175.900 -0.135 0.000 1.145 179 Y CA 1.862 59.899 58.100 -0.105 0.000 1.148 179 Y CB -0.179 38.226 38.460 -0.091 0.000 0.981 179 Y HN 0.016 nan 8.280 nan 0.000 0.507 180 L N -1.021 120.069 121.223 -0.221 0.000 2.046 180 L HA -0.245 4.093 4.340 -0.003 0.000 0.208 180 L C 2.337 179.050 176.870 -0.261 0.000 1.077 180 L CA 1.852 56.523 54.840 -0.282 0.000 0.747 180 L CB -0.997 40.886 42.059 -0.293 0.000 0.896 180 L HN 0.203 nan 8.230 nan 0.000 0.432 181 T N -0.926 113.506 114.554 -0.204 0.000 2.746 181 T HA -0.177 4.171 4.350 -0.003 0.000 0.267 181 T C 1.406 176.044 174.700 -0.104 0.000 1.039 181 T CA 1.530 63.553 62.100 -0.129 0.000 1.142 181 T CB -0.250 68.547 68.868 -0.118 0.000 0.866 181 T HN 0.295 nan 8.240 nan 0.000 0.444 182 D N 1.007 121.310 120.400 -0.162 0.000 2.218 182 D HA -0.058 4.580 4.640 -0.003 0.000 0.204 182 D C 2.293 178.496 176.300 -0.161 0.000 0.976 182 D CA 0.665 54.581 54.000 -0.140 0.000 0.853 182 D CB -0.202 40.499 40.800 -0.166 0.000 0.939 182 D HN 0.274 nan 8.370 nan 0.000 0.481 183 Q N -0.581 119.054 119.800 -0.275 0.000 2.369 183 Q HA 0.078 4.416 4.340 -0.003 0.000 0.206 183 Q C 1.944 177.921 176.000 -0.039 0.000 0.963 183 Q CA 0.442 56.114 55.803 -0.218 0.000 0.894 183 Q CB -0.098 28.451 28.738 -0.315 0.000 0.965 183 Q HN 0.455 nan 8.270 nan 0.000 0.475 184 M N -0.462 119.158 119.600 0.033 0.000 2.476 184 M HA -0.025 4.453 4.480 -0.003 0.000 0.262 184 M C 1.625 178.169 176.300 0.408 0.000 1.111 184 M CA 1.415 56.895 55.300 0.300 0.000 1.127 184 M CB 0.178 32.947 32.600 0.283 0.000 1.376 184 M HN 0.203 nan 8.290 nan 0.000 0.465 185 T N -2.496 112.191 114.554 0.221 0.000 3.026 185 T HA 0.210 4.558 4.350 -0.003 0.000 0.245 185 T C 1.093 175.911 174.700 0.197 0.000 1.004 185 T CA -0.184 62.024 62.100 0.179 0.000 1.069 185 T CB 0.232 69.175 68.868 0.126 0.000 1.005 185 T HN 0.235 nan 8.240 nan 0.000 0.472 186 R N 2.285 122.865 120.500 0.133 0.000 2.638 186 R HA 0.314 4.652 4.340 -0.003 0.000 0.261 186 R C -2.934 173.383 176.300 0.029 0.000 1.515 186 R CA -1.557 54.625 56.100 0.137 0.000 1.623 186 R CB 1.179 31.543 30.300 0.106 0.000 1.347 186 R HN 0.370 nan 8.270 nan 0.000 0.705 187 P HA -0.063 nan 4.420 nan 0.000 0.264 187 P C -0.273 176.988 177.300 -0.065 0.000 1.183 187 P CA 0.350 63.401 63.100 -0.082 0.000 0.763 187 P CB 0.852 32.484 31.700 -0.113 0.000 0.807 188 D N 1.513 121.886 120.400 -0.044 0.000 2.349 188 D HA 0.082 4.720 4.640 -0.003 0.000 0.215 188 D C 1.431 177.730 176.300 -0.001 0.000 1.016 188 D CA 0.647 54.646 54.000 -0.001 0.000 0.870 188 D CB -0.318 40.510 40.800 0.047 0.000 0.917 188 D HN 0.617 nan 8.370 nan 0.000 0.524 189 G N -0.006 108.784 108.800 -0.018 0.000 2.238 189 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.217 189 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.217 189 G C 1.258 176.164 174.900 0.011 0.000 0.996 189 G CA 0.575 45.667 45.100 -0.014 0.000 0.632 189 G HN 0.617 nan 8.290 nan 0.000 0.503 190 S N -0.516 115.209 115.700 0.041 0.000 2.489 190 S HA 0.503 4.971 4.470 -0.003 0.000 0.228 190 S C 0.956 175.591 174.600 0.058 0.000 0.995 190 S CA 1.078 59.316 58.200 0.063 0.000 0.934 190 S CB 0.096 63.365 63.200 0.114 0.000 0.771 190 S HN 0.533 nan 8.310 nan 0.000 0.522 191 M N 1.891 121.514 119.600 0.038 0.000 2.446 191 M HA 0.345 4.823 4.480 -0.003 0.000 0.294 191 M C -0.532 175.767 176.300 -0.001 0.000 1.158 191 M CA -0.573 54.739 55.300 0.020 0.000 0.899 191 M CB 2.638 35.248 32.600 0.016 0.000 1.687 191 M HN 0.227 nan 8.290 nan 0.000 0.455 192 T N -1.550 113.009 114.554 0.009 0.000 2.847 192 T HA 0.318 4.666 4.350 -0.003 0.000 0.279 192 T C 0.716 175.445 174.700 0.048 0.000 0.984 192 T CA -0.536 61.586 62.100 0.038 0.000 0.988 192 T CB 0.910 69.808 68.868 0.051 0.000 1.040 192 T HN 0.588 nan 8.240 nan 0.000 0.528 193 F N 1.383 121.324 119.950 -0.015 0.000 2.095 193 F HA 0.025 4.549 4.527 -0.004 0.000 0.298 193 F C 2.569 178.339 175.800 -0.049 0.000 1.104 193 F CA 1.858 59.855 58.000 -0.005 0.000 1.232 193 F CB -0.945 38.088 39.000 0.055 0.000 0.987 193 F HN 0.728 nan 8.300 nan 0.000 0.475 194 A N 0.144 123.028 122.820 0.106 0.000 1.908 194 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 194 A C 2.099 179.608 177.584 -0.126 0.000 1.181 194 A CA 2.009 54.042 52.037 -0.007 0.000 0.627 194 A CB -0.909 18.140 19.000 0.082 0.000 0.818 194 A HN 0.599 nan 8.150 nan 0.000 0.445 195 E N -0.360 119.790 120.200 -0.082 0.000 2.106 195 E HA -0.051 4.297 4.350 -0.003 0.000 0.192 195 E C 2.307 178.829 176.600 -0.130 0.000 0.984 195 E CA 0.837 57.194 56.400 -0.071 0.000 0.806 195 E CB -0.271 29.416 29.700 -0.022 0.000 0.750 195 E HN 0.626 nan 8.360 nan 0.000 0.458 196 A N 1.831 124.527 122.820 -0.208 0.000 1.898 196 A HA -0.208 4.110 4.320 -0.003 0.000 0.216 196 A C 2.081 179.449 177.584 -0.360 0.000 1.181 196 A CA 1.447 53.330 52.037 -0.256 0.000 0.620 196 A CB -0.335 18.487 19.000 -0.297 0.000 0.819 196 A HN 0.045 nan 8.150 nan 0.000 0.442 197 K N -0.518 119.540 120.400 -0.569 0.000 2.057 197 K HA -0.177 4.141 4.320 -0.003 0.000 0.207 197 K C 1.765 178.039 176.600 -0.544 0.000 1.049 197 K CA 1.511 57.379 56.287 -0.698 0.000 0.931 197 K CB -0.115 31.842 32.500 -0.904 0.000 0.714 197 K HN 0.347 nan 8.250 nan 0.000 0.440 198 E N 0.277 120.305 120.200 -0.287 0.000 2.153 198 E HA -0.145 4.203 4.350 -0.003 0.000 0.194 198 E C 1.850 178.444 176.600 -0.011 0.000 0.988 198 E CA 1.098 57.449 56.400 -0.081 0.000 0.811 198 E CB -0.172 29.520 29.700 -0.013 0.000 0.746 198 E HN 0.424 nan 8.360 nan 0.000 0.466 199 A N 0.898 123.693 122.820 -0.043 0.000 1.969 199 A HA -0.117 4.201 4.320 -0.003 0.000 0.218 199 A C 2.205 179.834 177.584 0.074 0.000 1.169 199 A CA 0.900 52.963 52.037 0.044 0.000 0.635 199 A CB -0.419 18.603 19.000 0.036 0.000 0.810 199 A HN 0.224 nan 8.150 nan 0.000 0.445 200 L N -1.566 119.630 121.223 -0.045 0.000 2.056 200 L HA -0.084 4.254 4.340 -0.003 0.000 0.207 200 L C 2.213 179.209 176.870 0.210 0.000 1.078 200 L CA 1.771 56.614 54.840 0.005 0.000 0.749 200 L CB -0.762 41.218 42.059 -0.131 0.000 0.901 200 L HN 0.452 nan 8.230 nan 0.000 0.433 201 Y N -0.415 119.939 120.300 0.092 0.000 2.293 201 Y HA -0.189 4.359 4.550 -0.003 0.000 0.291 201 Y C 2.510 178.469 175.900 0.099 0.000 1.137 201 Y CA 1.059 59.214 58.100 0.091 0.000 1.202 201 Y CB -1.033 37.458 38.460 0.051 0.000 0.990 201 Y HN 0.372 nan 8.280 nan 0.000 0.537 202 D N -1.039 119.517 120.400 0.261 0.000 2.149 202 D HA -0.258 4.380 4.640 -0.003 0.000 0.198 202 D C 2.131 178.549 176.300 0.197 0.000 0.990 202 D CA 1.167 55.279 54.000 0.186 0.000 0.839 202 D CB -0.343 40.552 40.800 0.158 0.000 0.948 202 D HN 0.354 nan 8.370 nan 0.000 0.460 203 Y N 0.411 120.787 120.300 0.128 0.000 2.184 203 Y HA -0.025 4.523 4.550 -0.004 0.000 0.290 203 Y C 1.978 177.936 175.900 0.096 0.000 1.129 203 Y CA 1.419 59.589 58.100 0.116 0.000 1.144 203 Y CB -0.209 38.341 38.460 0.150 0.000 0.995 203 Y HN -0.012 nan 8.280 nan 0.000 0.513 204 L N -0.534 120.840 121.223 0.250 0.000 2.109 204 L HA -0.206 4.132 4.340 -0.003 0.000 0.207 204 L C 2.297 179.180 176.870 0.021 0.000 1.086 204 L CA 0.394 55.310 54.840 0.127 0.000 0.760 204 L CB -0.587 41.612 42.059 0.234 0.000 0.910 204 L HN 0.264 nan 8.230 nan 0.000 0.437 205 I N 0.782 121.374 120.570 0.037 0.000 2.091 205 I HA -0.254 3.914 4.170 -0.003 0.000 0.240 205 I C 0.109 176.207 176.117 -0.033 0.000 1.046 205 I CA 2.233 63.530 61.300 -0.006 0.000 1.306 205 I CB -2.583 35.423 38.000 0.009 0.000 1.018 205 I HN 0.254 nan 8.210 nan 0.000 0.404 206 P HA -0.113 nan 4.420 nan 0.000 0.219 206 P C 2.005 179.259 177.300 -0.077 0.000 1.150 206 P CA 1.357 64.420 63.100 -0.062 0.000 0.814 206 P CB -0.041 31.616 31.700 -0.072 0.000 0.787 207 I N -0.110 120.394 120.570 -0.111 0.000 2.252 207 I HA -0.172 3.996 4.170 -0.003 0.000 0.245 207 I C 2.698 178.779 176.117 -0.060 0.000 1.102 207 I CA 1.091 62.327 61.300 -0.107 0.000 1.385 207 I CB -1.265 36.643 38.000 -0.154 0.000 1.064 207 I HN -0.076 nan 8.210 nan 0.000 0.414 208 I N 0.586 121.130 120.570 -0.044 0.000 2.226 208 I HA -0.283 3.885 4.170 -0.003 0.000 0.245 208 I C 2.577 178.676 176.117 -0.028 0.000 1.100 208 I CA 1.274 62.557 61.300 -0.028 0.000 1.374 208 I CB -0.259 37.728 38.000 -0.022 0.000 1.057 208 I HN 0.180 nan 8.210 nan 0.000 0.413 209 E N 0.993 121.174 120.200 -0.032 0.000 2.072 209 E HA -0.282 4.066 4.350 -0.003 0.000 0.191 209 E C 2.098 178.681 176.600 -0.028 0.000 0.985 209 E CA 1.460 57.843 56.400 -0.028 0.000 0.801 209 E CB -0.186 29.497 29.700 -0.028 0.000 0.750 209 E HN 0.431 nan 8.360 nan 0.000 0.452 210 Q N -0.107 119.672 119.800 -0.035 0.000 2.124 210 Q HA -0.122 4.216 4.340 -0.003 0.000 0.202 210 Q C 1.884 177.866 176.000 -0.029 0.000 0.977 210 Q CA 1.387 57.170 55.803 -0.033 0.000 0.850 210 Q CB 0.022 28.735 28.738 -0.042 0.000 0.901 210 Q HN 0.163 nan 8.270 nan 0.000 0.429 211 R N -0.672 119.810 120.500 -0.030 0.000 2.275 211 R HA 0.067 4.405 4.340 -0.003 0.000 0.199 211 R C 1.980 178.268 176.300 -0.020 0.000 0.989 211 R CA 0.376 56.461 56.100 -0.025 0.000 1.016 211 R CB 0.160 30.444 30.300 -0.027 0.000 0.918 211 R HN 0.159 nan 8.270 nan 0.000 0.473 212 R N -0.106 120.383 120.500 -0.019 0.000 2.210 212 R HA 0.031 4.369 4.340 -0.003 0.000 0.203 212 R C 1.900 178.192 176.300 -0.014 0.000 1.010 212 R CA 0.575 56.666 56.100 -0.015 0.000 1.008 212 R CB 0.265 30.557 30.300 -0.013 0.000 0.923 212 R HN 0.107 nan 8.270 nan 0.000 0.469 213 Q N 0.453 120.243 119.800 -0.017 0.000 2.123 213 Q HA 0.044 4.382 4.340 -0.003 0.000 0.196 213 Q C 0.144 176.135 176.000 -0.015 0.000 0.958 213 Q CA 1.234 57.028 55.803 -0.015 0.000 0.841 213 Q CB 0.487 29.215 28.738 -0.017 0.000 0.915 213 Q HN 0.070 nan 8.270 nan 0.000 0.455 214 K N 0.971 121.361 120.400 -0.017 0.000 2.687 214 K HA 0.345 4.663 4.320 -0.003 0.000 0.197 214 K C -2.616 173.973 176.600 -0.018 0.000 1.049 214 K CA -1.519 54.758 56.287 -0.017 0.000 1.030 214 K CB 1.795 34.285 32.500 -0.018 0.000 1.261 214 K HN -0.068 nan 8.250 nan 0.000 0.565 215 P HA -0.004 nan 4.420 nan 0.000 0.266 215 P C 0.048 177.337 177.300 -0.019 0.000 1.195 215 P CA -0.007 63.082 63.100 -0.017 0.000 0.768 215 P CB 1.015 32.706 31.700 -0.015 0.000 0.838 216 G N 0.222 109.009 108.800 -0.021 0.000 3.175 216 G HA2 0.489 4.447 3.960 -0.003 0.000 0.255 216 G HA3 0.489 4.447 3.960 -0.003 0.000 0.255 216 G C 0.257 175.142 174.900 -0.024 0.000 1.352 216 G CA -0.296 44.791 45.100 -0.023 0.000 1.037 216 G HN 0.409 nan 8.290 nan 0.000 0.556 217 T N -1.678 112.860 114.554 -0.027 0.000 3.054 217 T HA 0.195 4.543 4.350 -0.003 0.000 0.255 217 T C 0.473 175.151 174.700 -0.036 0.000 1.035 217 T CA 0.332 62.416 62.100 -0.028 0.000 0.941 217 T CB -0.263 68.590 68.868 -0.025 0.000 1.026 217 T HN 0.601 nan 8.240 nan 0.000 0.533 218 D N 1.135 121.509 120.400 -0.044 0.000 2.371 218 D HA 0.312 4.950 4.640 -0.003 0.000 0.242 218 D C 1.464 177.727 176.300 -0.062 0.000 1.218 218 D CA -0.080 53.882 54.000 -0.063 0.000 0.945 218 D CB 1.409 42.167 40.800 -0.071 0.000 1.137 218 D HN 0.099 nan 8.370 nan 0.000 0.464 219 A N 1.265 124.033 122.820 -0.088 0.000 1.940 219 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 219 A C 2.364 179.924 177.584 -0.041 0.000 1.176 219 A CA 1.180 53.175 52.037 -0.069 0.000 0.631 219 A CB -0.763 18.171 19.000 -0.110 0.000 0.814 219 A HN 0.675 nan 8.150 nan 0.000 0.446 220 I N -0.533 120.009 120.570 -0.047 0.000 2.315 220 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 220 I C 2.604 178.713 176.117 -0.014 0.000 1.117 220 I CA 1.310 62.599 61.300 -0.017 0.000 1.404 220 I CB -0.315 37.678 38.000 -0.012 0.000 1.071 220 I HN 0.220 nan 8.210 nan 0.000 0.419 221 S N 0.942 116.628 115.700 -0.024 0.000 2.368 221 S HA -0.091 4.377 4.470 -0.003 0.000 0.225 221 S C 2.009 176.602 174.600 -0.012 0.000 1.030 221 S CA 1.215 59.404 58.200 -0.019 0.000 0.999 221 S CB -0.237 62.949 63.200 -0.024 0.000 0.844 221 S HN 0.331 nan 8.310 nan 0.000 0.459 222 I N 0.934 121.496 120.570 -0.013 0.000 2.252 222 I HA -0.131 4.037 4.170 -0.003 0.000 0.245 222 I C 2.156 178.276 176.117 0.005 0.000 1.102 222 I CA 0.869 62.165 61.300 -0.007 0.000 1.385 222 I CB -0.454 37.540 38.000 -0.009 0.000 1.064 222 I HN 0.147 nan 8.210 nan 0.000 0.414 223 V N 1.101 121.021 119.914 0.011 0.000 2.307 223 V HA -0.265 3.853 4.120 -0.003 0.000 0.245 223 V C 2.719 178.829 176.094 0.026 0.000 1.045 223 V CA 1.990 64.306 62.300 0.027 0.000 1.024 223 V CB -0.981 30.861 31.823 0.033 0.000 0.651 223 V HN 0.490 nan 8.190 nan 0.000 0.449 224 A N 0.234 123.061 122.820 0.013 0.000 2.019 224 A HA -0.204 4.114 4.320 -0.003 0.000 0.219 224 A C 1.726 179.314 177.584 0.007 0.000 1.164 224 A CA 2.189 54.231 52.037 0.008 0.000 0.644 224 A CB -0.607 18.392 19.000 -0.002 0.000 0.805 224 A HN 0.692 nan 8.150 nan 0.000 0.449 225 N N -0.889 117.813 118.700 0.004 0.000 2.204 225 N HA 0.311 5.049 4.740 -0.003 0.000 0.219 225 N C 0.656 176.168 175.510 0.003 0.000 1.151 225 N CA 0.378 53.428 53.050 0.001 0.000 0.867 225 N CB 0.724 39.208 38.487 -0.005 0.000 1.043 225 N HN 0.407 nan 8.380 nan 0.000 0.516 226 G N -0.115 108.692 108.800 0.011 0.000 2.616 226 G HA2 0.339 4.297 3.960 -0.003 0.000 0.268 226 G HA3 0.339 4.297 3.960 -0.003 0.000 0.268 226 G C -0.426 174.476 174.900 0.004 0.000 1.213 226 G CA -0.302 44.803 45.100 0.009 0.000 0.926 226 G HN 0.098 nan 8.290 nan 0.000 0.523 227 Q N -1.523 118.271 119.800 -0.011 0.000 2.387 227 Q HA 0.536 4.874 4.340 -0.003 0.000 0.273 227 Q C -1.230 174.734 176.000 -0.060 0.000 1.089 227 Q CA -0.829 54.957 55.803 -0.029 0.000 0.824 227 Q CB 2.962 31.680 28.738 -0.032 0.000 1.367 227 Q HN 0.275 nan 8.270 nan 0.000 0.443 228 V N 1.959 121.812 119.914 -0.102 0.000 2.376 228 V HA 0.215 4.333 4.120 -0.003 0.000 0.287 228 V C -0.056 175.925 176.094 -0.189 0.000 1.015 228 V CA -0.731 61.440 62.300 -0.216 0.000 0.834 228 V CB 0.837 32.436 31.823 -0.374 0.000 1.001 228 V HN 0.912 nan 8.190 nan 0.000 0.428 229 N N 4.038 122.640 118.700 -0.164 0.000 2.699 229 N HA -0.257 4.481 4.740 -0.003 0.000 0.256 229 N C 1.219 176.676 175.510 -0.088 0.000 0.993 229 N CA 0.527 53.503 53.050 -0.122 0.000 0.759 229 N CB -0.576 37.827 38.487 -0.139 0.000 0.906 229 N HN 1.389 nan 8.380 nan 0.000 0.541 230 G N -0.518 108.239 108.800 -0.071 0.000 2.179 230 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.260 230 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.260 230 G C 0.100 174.973 174.900 -0.045 0.000 0.977 230 G CA 0.987 46.056 45.100 -0.051 0.000 0.641 230 G HN 0.749 nan 8.290 nan 0.000 0.533 231 R N -0.509 119.959 120.500 -0.053 0.000 2.803 231 R HA 0.761 5.099 4.340 -0.003 0.000 0.276 231 R C -3.218 173.063 176.300 -0.032 0.000 0.978 231 R CA -2.561 53.516 56.100 -0.038 0.000 0.939 231 R CB 0.381 30.659 30.300 -0.036 0.000 1.179 231 R HN 0.057 nan 8.270 nan 0.000 0.472 232 P HA 0.009 nan 4.420 nan 0.000 0.265 232 P C -0.381 176.925 177.300 0.010 0.000 1.193 232 P CA -0.091 63.006 63.100 -0.005 0.000 0.765 232 P CB 0.476 32.175 31.700 -0.002 0.000 0.823 233 I N 2.412 122.997 120.570 0.025 0.000 2.638 233 I HA 0.156 4.324 4.170 -0.003 0.000 0.286 233 I C 0.690 176.838 176.117 0.051 0.000 1.088 233 I CA -0.121 61.217 61.300 0.065 0.000 1.397 233 I CB 0.956 39.010 38.000 0.090 0.000 1.414 233 I HN 0.386 nan 8.210 nan 0.000 0.566 234 T N 2.115 116.707 114.554 0.063 0.000 2.874 234 T HA 0.217 4.564 4.350 -0.003 0.000 0.281 234 T C 1.011 175.719 174.700 0.013 0.000 0.994 234 T CA -0.502 61.617 62.100 0.031 0.000 1.015 234 T CB 1.572 70.458 68.868 0.030 0.000 1.028 234 T HN 0.650 nan 8.240 nan 0.000 0.523 235 S N 0.465 116.161 115.700 -0.006 0.000 2.370 235 S HA -0.135 4.332 4.470 -0.003 0.000 0.226 235 S C 1.678 176.247 174.600 -0.051 0.000 1.033 235 S CA 1.704 59.890 58.200 -0.025 0.000 1.011 235 S CB -0.679 62.504 63.200 -0.029 0.000 0.852 235 S HN 0.986 nan 8.310 nan 0.000 0.457 236 D N 0.790 121.156 120.400 -0.056 0.000 2.117 236 D HA -0.136 4.502 4.640 -0.003 0.000 0.197 236 D C 1.903 178.143 176.300 -0.101 0.000 0.987 236 D CA 1.238 55.179 54.000 -0.097 0.000 0.829 236 D CB -0.054 40.702 40.800 -0.073 0.000 0.961 236 D HN 0.444 nan 8.370 nan 0.000 0.460 237 E N -0.155 120.018 120.200 -0.045 0.000 2.077 237 E HA -0.138 4.210 4.350 -0.003 0.000 0.193 237 E C 2.177 178.753 176.600 -0.039 0.000 0.989 237 E CA 0.913 57.286 56.400 -0.045 0.000 0.800 237 E CB -0.172 29.571 29.700 0.072 0.000 0.746 237 E HN 0.399 nan 8.360 nan 0.000 0.452 238 A N 1.676 124.491 122.820 -0.009 0.000 1.933 238 A HA -0.248 4.070 4.320 -0.003 0.000 0.218 238 A C 2.059 179.627 177.584 -0.026 0.000 1.175 238 A CA 1.615 53.653 52.037 0.000 0.000 0.628 238 A CB -0.387 18.616 19.000 0.006 0.000 0.814 238 A HN 0.071 nan 8.150 nan 0.000 0.444 239 K N -0.324 120.028 120.400 -0.079 0.000 2.026 239 K HA -0.157 4.161 4.320 -0.003 0.000 0.208 239 K C 2.216 178.768 176.600 -0.079 0.000 1.048 239 K CA 1.486 57.696 56.287 -0.128 0.000 0.929 239 K CB -0.193 32.119 32.500 -0.314 0.000 0.713 239 K HN 0.442 nan 8.250 nan 0.000 0.439 240 R N 0.062 120.500 120.500 -0.103 0.000 2.152 240 R HA -0.082 4.256 4.340 -0.003 0.000 0.232 240 R C 2.347 178.691 176.300 0.072 0.000 1.117 240 R CA 1.582 57.730 56.100 0.079 0.000 0.981 240 R CB -0.169 30.127 30.300 -0.007 0.000 0.870 240 R HN 0.352 nan 8.270 nan 0.000 0.451 241 M N -0.435 119.155 119.600 -0.016 0.000 2.248 241 M HA -0.089 4.389 4.480 -0.003 0.000 0.265 241 M C 1.801 178.077 176.300 -0.040 0.000 1.079 241 M CA 1.369 56.650 55.300 -0.032 0.000 1.150 241 M CB 0.123 32.722 32.600 -0.001 0.000 1.366 241 M HN 0.188 nan 8.290 nan 0.000 0.433 242 C N 0.751 120.052 119.300 0.002 0.000 2.435 242 C HA -0.013 4.445 4.460 -0.003 0.000 0.279 242 C C 2.739 177.718 174.990 -0.018 0.000 1.321 242 C CA 0.989 60.025 59.018 0.031 0.000 1.752 242 C CB -1.837 25.945 27.740 0.070 0.000 1.959 242 C HN 0.811 nan 8.230 nan 0.000 0.500 243 G N 0.383 109.154 108.800 -0.048 0.000 2.418 243 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.217 243 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.217 243 G C 1.514 175.934 174.900 -0.800 0.000 1.158 243 G CA 0.905 45.863 45.100 -0.238 0.000 0.771 243 G HN 0.465 nan 8.290 nan 0.000 0.545 244 L N 0.552 121.202 121.223 -0.955 0.000 2.046 244 L HA 0.108 4.446 4.340 -0.003 0.000 0.208 244 L C 2.680 179.327 176.870 -0.371 0.000 1.077 244 L CA 1.321 55.668 54.840 -0.821 0.000 0.747 244 L CB -0.412 41.391 42.059 -0.428 0.000 0.896 244 L HN 0.211 nan 8.230 nan 0.000 0.432 245 L N -1.488 119.615 121.223 -0.201 0.000 2.083 245 L HA -0.217 4.121 4.340 -0.003 0.000 0.209 245 L C 2.472 179.192 176.870 -0.250 0.000 1.083 245 L CA 0.559 55.359 54.840 -0.066 0.000 0.752 245 L CB -0.693 41.458 42.059 0.152 0.000 0.899 245 L HN 0.299 nan 8.230 nan 0.000 0.433 246 L N -0.441 120.663 121.223 -0.200 0.000 2.017 246 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 246 L C 2.599 179.201 176.870 -0.446 0.000 1.073 246 L CA 1.550 56.191 54.840 -0.333 0.000 0.745 246 L CB -0.831 41.173 42.059 -0.092 0.000 0.894 246 L HN 0.107 nan 8.230 nan 0.000 0.432 247 V N -0.018 119.704 119.914 -0.321 0.000 2.295 247 V HA -0.206 3.912 4.120 -0.003 0.000 0.246 247 V C 2.655 178.621 176.094 -0.214 0.000 1.049 247 V CA 1.808 63.984 62.300 -0.207 0.000 1.024 247 V CB -1.258 30.510 31.823 -0.092 0.000 0.648 247 V HN 0.554 nan 8.190 nan 0.000 0.447 248 G N -0.139 108.516 108.800 -0.241 0.000 2.422 248 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.218 248 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.218 248 G C 1.562 176.283 174.900 -0.297 0.000 1.146 248 G CA 0.898 45.884 45.100 -0.189 0.000 0.769 248 G HN 0.599 nan 8.290 nan 0.000 0.547 249 G N 0.114 108.528 108.800 -0.643 0.000 2.464 249 G HA2 0.092 4.050 3.960 -0.003 0.000 0.217 249 G HA3 0.092 4.050 3.960 -0.003 0.000 0.217 249 G C 1.447 176.060 174.900 -0.478 0.000 1.138 249 G CA 0.415 45.026 45.100 -0.814 0.000 0.793 249 G HN 0.339 nan 8.290 nan 0.000 0.539 250 L N -0.465 120.514 121.223 -0.407 0.000 2.590 250 L HA 0.376 4.714 4.340 -0.003 0.000 0.227 250 L C 0.714 177.508 176.870 -0.126 0.000 1.099 250 L CA 0.687 55.396 54.840 -0.218 0.000 0.872 250 L CB 0.764 42.704 42.059 -0.197 0.000 1.088 250 L HN 0.052 nan 8.230 nan 0.000 0.479 251 D N -2.201 118.135 120.400 -0.107 0.000 2.760 251 D HA 0.101 4.739 4.640 -0.003 0.000 0.314 251 D C 1.124 177.422 176.300 -0.002 0.000 1.464 251 D CA 0.837 54.812 54.000 -0.041 0.000 0.797 251 D CB 0.523 41.309 40.800 -0.023 0.000 1.149 251 D HN 0.225 nan 8.370 nan 0.000 0.455 252 T N -4.176 110.377 114.554 -0.002 0.000 3.478 252 T HA 0.076 4.424 4.350 -0.003 0.000 0.223 252 T C 1.825 176.585 174.700 0.100 0.000 0.958 252 T CA 0.561 62.687 62.100 0.044 0.000 1.324 252 T CB -0.561 68.324 68.868 0.028 0.000 1.262 252 T HN -0.165 nan 8.240 nan 0.000 0.379 253 V N 2.454 122.426 119.914 0.096 0.000 2.469 253 V HA -0.139 3.979 4.120 -0.003 0.000 0.251 253 V C 2.946 179.147 176.094 0.178 0.000 1.064 253 V CA 1.554 63.960 62.300 0.176 0.000 1.066 253 V CB -0.996 30.907 31.823 0.134 0.000 0.667 253 V HN 0.434 nan 8.190 nan 0.000 0.461 254 V N 0.934 120.895 119.914 0.079 0.000 2.282 254 V HA -0.312 3.806 4.120 -0.003 0.000 0.249 254 V C 2.306 178.422 176.094 0.036 0.000 1.057 254 V CA 2.462 64.783 62.300 0.036 0.000 1.032 254 V CB -0.780 31.032 31.823 -0.018 0.000 0.645 254 V HN 0.634 nan 8.190 nan 0.000 0.447 255 N N -0.732 117.995 118.700 0.046 0.000 2.207 255 N HA -0.098 4.640 4.740 -0.003 0.000 0.182 255 N C 1.797 177.320 175.510 0.021 0.000 1.020 255 N CA 1.440 54.474 53.050 -0.027 0.000 0.858 255 N CB -0.411 38.089 38.487 0.022 0.000 0.991 255 N HN 0.532 nan 8.380 nan 0.000 0.427 256 F N 2.388 122.401 119.950 0.104 0.000 2.126 256 F HA -0.089 4.436 4.527 -0.003 0.000 0.299 256 F C 2.130 178.016 175.800 0.143 0.000 1.096 256 F CA 1.033 59.153 58.000 0.198 0.000 1.255 256 F CB -0.183 38.897 39.000 0.133 0.000 0.997 256 F HN -0.082 nan 8.300 nan 0.000 0.479 257 L N -0.731 120.549 121.223 0.095 0.000 2.079 257 L HA -0.256 4.082 4.340 -0.003 0.000 0.210 257 L C 2.520 179.394 176.870 0.007 0.000 1.081 257 L CA 1.459 56.349 54.840 0.083 0.000 0.752 257 L CB -0.902 41.357 42.059 0.334 0.000 0.896 257 L HN 0.094 nan 8.230 nan 0.000 0.433 258 S N -0.655 115.045 115.700 0.000 0.000 2.383 258 S HA -0.086 4.382 4.470 -0.003 0.000 0.227 258 S C 1.755 176.143 174.600 -0.352 0.000 1.026 258 S CA 1.008 59.158 58.200 -0.082 0.000 0.981 258 S CB -0.243 62.883 63.200 -0.124 0.000 0.818 258 S HN 0.213 nan 8.310 nan 0.000 0.472 259 F N 2.202 121.917 119.950 -0.391 0.000 2.134 259 F HA -0.081 4.443 4.527 -0.004 0.000 0.299 259 F C 2.745 178.012 175.800 -0.887 0.000 1.097 259 F CA 0.863 58.495 58.000 -0.613 0.000 1.264 259 F CB -0.960 37.685 39.000 -0.591 0.000 1.001 259 F HN 0.101 nan 8.300 nan 0.000 0.479 260 S N -0.511 114.795 115.700 -0.657 0.000 2.368 260 S HA -0.162 4.306 4.470 -0.003 0.000 0.224 260 S C 2.122 176.515 174.600 -0.346 0.000 1.029 260 S CA 1.041 58.911 58.200 -0.551 0.000 0.988 260 S CB -0.242 62.662 63.200 -0.494 0.000 0.838 260 S HN 0.192 nan 8.310 nan 0.000 0.462 261 M N 1.276 120.595 119.600 -0.468 0.000 2.229 261 M HA -0.006 4.472 4.480 -0.003 0.000 0.264 261 M C 2.186 178.270 176.300 -0.360 0.000 1.063 261 M CA 1.104 56.047 55.300 -0.594 0.000 1.114 261 M CB -1.032 30.730 32.600 -1.397 0.000 1.387 261 M HN 0.438 nan 8.290 nan 0.000 0.420 262 E N -0.287 119.727 120.200 -0.311 0.000 2.077 262 E HA -0.237 4.111 4.350 -0.003 0.000 0.193 262 E C 1.987 178.527 176.600 -0.101 0.000 0.989 262 E CA 1.199 57.507 56.400 -0.155 0.000 0.800 262 E CB -0.207 29.446 29.700 -0.079 0.000 0.746 262 E HN 0.404 nan 8.360 nan 0.000 0.452 263 F N 1.253 121.027 119.950 -0.294 0.000 2.102 263 F HA -0.154 4.371 4.527 -0.004 0.000 0.298 263 F C 1.956 177.677 175.800 -0.132 0.000 1.105 263 F CA 1.301 59.180 58.000 -0.202 0.000 1.239 263 F CB -0.117 38.721 39.000 -0.270 0.000 0.991 263 F HN -0.010 nan 8.300 nan 0.000 0.474 264 L N 0.132 121.247 121.223 -0.180 0.000 2.131 264 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 264 L C 2.788 179.419 176.870 -0.398 0.000 1.092 264 L CA 1.026 55.720 54.840 -0.244 0.000 0.759 264 L CB -1.137 40.943 42.059 0.034 0.000 0.903 264 L HN 0.299 nan 8.230 nan 0.000 0.435 265 A N 0.057 122.735 122.820 -0.238 0.000 1.969 265 A HA -0.172 4.146 4.320 -0.003 0.000 0.218 265 A C 2.181 179.597 177.584 -0.280 0.000 1.169 265 A CA 1.387 53.255 52.037 -0.281 0.000 0.635 265 A CB -0.207 18.840 19.000 0.078 0.000 0.810 265 A HN 0.351 nan 8.150 nan 0.000 0.445 266 K N -0.808 119.427 120.400 -0.276 0.000 2.393 266 K HA 0.138 4.456 4.320 -0.003 0.000 0.193 266 K C 0.236 176.652 176.600 -0.306 0.000 1.026 266 K CA 0.455 56.600 56.287 -0.236 0.000 1.064 266 K CB 0.345 32.748 32.500 -0.163 0.000 0.833 266 K HN 0.224 nan 8.250 nan 0.000 0.521 267 S N 1.236 116.669 115.700 -0.445 0.000 2.259 267 S HA 0.271 4.739 4.470 -0.003 0.000 0.181 267 S C -2.340 172.123 174.600 -0.230 0.000 1.589 267 S CA -1.712 56.269 58.200 -0.365 0.000 1.234 267 S CB 0.693 63.503 63.200 -0.649 0.000 1.119 267 S HN -0.127 nan 8.310 nan 0.000 0.458 268 P HA -0.113 nan 4.420 nan 0.000 0.217 268 P C 0.938 178.194 177.300 -0.073 0.000 1.148 268 P CA 1.120 64.132 63.100 -0.147 0.000 0.828 268 P CB 0.232 31.860 31.700 -0.120 0.000 0.783 269 E N -1.627 118.541 120.200 -0.053 0.000 2.085 269 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 269 E C 1.884 178.445 176.600 -0.065 0.000 0.994 269 E CA 1.405 57.765 56.400 -0.066 0.000 0.801 269 E CB -1.094 28.544 29.700 -0.104 0.000 0.743 269 E HN 0.487 nan 8.360 nan 0.000 0.453 270 H N -0.271 118.790 119.070 -0.016 0.000 2.428 270 H HA 0.137 4.691 4.556 -0.004 0.000 0.296 270 H C 1.893 177.348 175.328 0.211 0.000 1.062 270 H CA 1.128 57.258 56.048 0.137 0.000 1.350 270 H CB 0.171 30.026 29.762 0.156 0.000 1.403 270 H HN 0.003 nan 8.280 nan 0.000 0.533 271 R N 0.109 120.708 120.500 0.165 0.000 2.073 271 R HA -0.161 4.177 4.340 -0.003 0.000 0.234 271 R C 2.155 178.512 176.300 0.094 0.000 1.134 271 R CA 1.390 57.553 56.100 0.105 0.000 0.952 271 R CB -0.163 30.114 30.300 -0.039 0.000 0.850 271 R HN 0.249 nan 8.270 nan 0.000 0.433 272 Q N 1.180 121.011 119.800 0.051 0.000 2.170 272 Q HA -0.189 4.149 4.340 -0.003 0.000 0.203 272 Q C 1.776 177.814 176.000 0.063 0.000 0.976 272 Q CA 1.715 57.542 55.803 0.039 0.000 0.858 272 Q CB -0.056 28.687 28.738 0.008 0.000 0.907 272 Q HN 0.362 nan 8.270 nan 0.000 0.433 273 E N -0.673 119.586 120.200 0.098 0.000 2.077 273 E HA -0.168 4.180 4.350 -0.003 0.000 0.193 273 E C 1.662 178.340 176.600 0.131 0.000 0.989 273 E CA 1.146 57.622 56.400 0.127 0.000 0.800 273 E CB -0.116 29.704 29.700 0.199 0.000 0.746 273 E HN 0.440 nan 8.360 nan 0.000 0.452 274 L N 0.495 121.807 121.223 0.148 0.000 2.291 274 L HA -0.063 4.275 4.340 -0.003 0.000 0.214 274 L C 2.337 179.242 176.870 0.058 0.000 1.120 274 L CA 0.380 55.265 54.840 0.074 0.000 0.799 274 L CB -0.181 41.909 42.059 0.052 0.000 0.925 274 L HN 0.245 nan 8.230 nan 0.000 0.446 275 I N -0.261 120.348 120.570 0.065 0.000 2.333 275 I HA -0.198 3.970 4.170 -0.003 0.000 0.246 275 I C 2.291 178.429 176.117 0.036 0.000 1.106 275 I CA 1.181 62.509 61.300 0.047 0.000 1.411 275 I CB -0.082 37.944 38.000 0.043 0.000 1.082 275 I HN 0.230 nan 8.210 nan 0.000 0.420 276 E N 0.837 121.060 120.200 0.039 0.000 2.158 276 E HA -0.034 4.314 4.350 -0.003 0.000 0.191 276 E C 0.451 177.070 176.600 0.032 0.000 0.982 276 E CA 0.636 57.055 56.400 0.032 0.000 0.823 276 E CB 0.199 29.917 29.700 0.030 0.000 0.766 276 E HN 0.406 nan 8.360 nan 0.000 0.468 277 R N 1.034 121.558 120.500 0.040 0.000 2.585 277 R HA 0.149 4.487 4.340 -0.003 0.000 0.278 277 R C -2.184 174.134 176.300 0.030 0.000 1.663 277 R CA -1.143 54.978 56.100 0.036 0.000 1.592 277 R CB 1.015 31.343 30.300 0.045 0.000 1.200 277 R HN 0.023 nan 8.270 nan 0.000 0.611 278 P HA -0.226 nan 4.420 nan 0.000 0.221 278 P C 0.804 178.111 177.300 0.011 0.000 1.145 278 P CA 1.235 64.345 63.100 0.017 0.000 0.795 278 P CB 0.398 32.110 31.700 0.020 0.000 0.775 279 E N 0.981 121.191 120.200 0.016 0.000 2.472 279 E HA -0.147 4.201 4.350 -0.003 0.000 0.200 279 E C 1.506 178.113 176.600 0.012 0.000 1.046 279 E CA 0.614 57.025 56.400 0.017 0.000 0.871 279 E CB -0.606 29.107 29.700 0.022 0.000 0.806 279 E HN 0.331 nan 8.360 nan 0.000 0.533 280 R N 0.205 120.705 120.500 0.001 0.000 2.317 280 R HA 0.290 4.628 4.340 -0.003 0.000 0.208 280 R C 2.267 178.513 176.300 -0.090 0.000 0.914 280 R CA 0.038 56.127 56.100 -0.018 0.000 1.060 280 R CB -0.075 30.229 30.300 0.008 0.000 1.015 280 R HN 0.179 nan 8.270 nan 0.000 0.498 281 I N 1.634 122.159 120.570 -0.075 0.000 2.163 281 I HA -0.216 3.952 4.170 -0.003 0.000 0.243 281 I C -0.780 175.301 176.117 -0.060 0.000 1.085 281 I CA 1.502 62.745 61.300 -0.095 0.000 1.347 281 I CB -0.989 36.994 38.000 -0.029 0.000 1.044 281 I HN 0.035 nan 8.210 nan 0.000 0.408 282 P HA -0.156 nan 4.420 nan 0.000 0.217 282 P C 1.447 178.763 177.300 0.027 0.000 1.150 282 P CA 1.721 64.837 63.100 0.027 0.000 0.832 282 P CB -0.004 31.720 31.700 0.040 0.000 0.787 283 A N -0.130 122.695 122.820 0.010 0.000 1.969 283 A HA -0.039 4.279 4.320 -0.003 0.000 0.218 283 A C 2.277 179.873 177.584 0.020 0.000 1.169 283 A CA 1.794 53.854 52.037 0.040 0.000 0.635 283 A CB -1.514 17.521 19.000 0.058 0.000 0.810 283 A HN 0.183 nan 8.150 nan 0.000 0.445 284 A N -1.000 121.720 122.820 -0.167 0.000 1.930 284 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 284 A C 2.357 179.917 177.584 -0.040 0.000 1.175 284 A CA 1.563 53.349 52.037 -0.419 0.000 0.627 284 A CB -1.383 16.959 19.000 -1.096 0.000 0.815 284 A HN 0.823 nan 8.150 nan 0.000 0.443 285 C N -0.555 118.752 119.300 0.012 0.000 2.413 285 C HA -0.123 4.335 4.460 -0.003 0.000 0.276 285 C C 2.566 177.634 174.990 0.131 0.000 1.236 285 C CA 1.857 60.948 59.018 0.121 0.000 1.735 285 C CB -1.011 26.798 27.740 0.116 0.000 2.031 285 C HN 0.676 nan 8.230 nan 0.000 0.474 286 E N 0.598 120.862 120.200 0.108 0.000 2.077 286 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 286 E C 2.047 178.699 176.600 0.087 0.000 0.989 286 E CA 1.835 58.298 56.400 0.105 0.000 0.800 286 E CB -0.351 29.439 29.700 0.149 0.000 0.746 286 E HN 0.785 nan 8.360 nan 0.000 0.452 287 E N -0.121 120.169 120.200 0.149 0.000 2.106 287 E HA -0.105 4.242 4.350 -0.003 0.000 0.192 287 E C 1.868 178.526 176.600 0.096 0.000 0.984 287 E CA 1.006 57.495 56.400 0.148 0.000 0.806 287 E CB -0.246 29.629 29.700 0.292 0.000 0.750 287 E HN 0.331 nan 8.360 nan 0.000 0.458 288 L N -0.067 121.283 121.223 0.212 0.000 2.093 288 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 288 L C 2.406 179.503 176.870 0.379 0.000 1.085 288 L CA 0.699 55.729 54.840 0.316 0.000 0.755 288 L CB -0.334 41.986 42.059 0.436 0.000 0.904 288 L HN 0.211 nan 8.230 nan 0.000 0.435 289 L N -0.519 120.803 121.223 0.164 0.000 2.201 289 L HA -0.187 4.151 4.340 -0.003 0.000 0.212 289 L C 2.809 179.471 176.870 -0.347 0.000 1.105 289 L CA 0.988 55.686 54.840 -0.237 0.000 0.775 289 L CB -0.408 41.295 42.059 -0.594 0.000 0.913 289 L HN 0.266 nan 8.230 nan 0.000 0.440 290 R N 0.275 120.605 120.500 -0.283 0.000 2.055 290 R HA -0.156 4.182 4.340 -0.003 0.000 0.226 290 R C 2.464 178.599 176.300 -0.274 0.000 1.135 290 R CA 1.137 57.074 56.100 -0.272 0.000 0.959 290 R CB -0.048 30.186 30.300 -0.111 0.000 0.854 290 R HN 0.054 nan 8.270 nan 0.000 0.431 291 R N -0.049 120.243 120.500 -0.348 0.000 2.115 291 R HA -0.055 4.283 4.340 -0.003 0.000 0.230 291 R C 0.368 176.127 176.300 -0.902 0.000 1.111 291 R CA 1.485 57.185 56.100 -0.667 0.000 0.976 291 R CB -0.133 29.596 30.300 -0.952 0.000 0.870 291 R HN 0.237 nan 8.270 nan 0.000 0.445 292 F N 0.328 120.170 119.950 -0.180 0.000 2.928 292 F HA 0.412 4.937 4.527 -0.004 0.000 0.337 292 F C 0.319 175.986 175.800 -0.222 0.000 1.259 292 F CA -0.599 57.233 58.000 -0.280 0.000 1.267 292 F CB 0.420 39.253 39.000 -0.279 0.000 0.986 292 F HN -0.135 nan 8.300 nan 0.000 0.507 293 S N 1.582 117.170 115.700 -0.187 0.000 2.573 293 S HA 0.288 4.756 4.470 -0.003 0.000 0.277 293 S C 0.904 175.344 174.600 -0.267 0.000 1.346 293 S CA -0.077 57.985 58.200 -0.229 0.000 1.034 293 S CB 0.559 63.591 63.200 -0.280 0.000 0.879 293 S HN 0.593 nan 8.310 nan 0.000 0.528 294 L N 1.358 122.451 121.223 -0.217 0.000 3.515 294 L HA 0.561 4.899 4.340 -0.003 0.000 0.322 294 L C -0.850 175.895 176.870 -0.208 0.000 1.225 294 L CA -0.498 54.222 54.840 -0.201 0.000 1.104 294 L CB 0.167 42.246 42.059 0.033 0.000 1.506 294 L HN 0.306 nan 8.230 nan 0.000 0.624 295 V N 1.984 121.767 119.914 -0.217 0.000 2.532 295 V HA 0.841 4.959 4.120 -0.003 0.000 0.295 295 V C 0.260 176.206 176.094 -0.248 0.000 1.041 295 V CA 0.056 62.244 62.300 -0.187 0.000 0.926 295 V CB 1.426 33.180 31.823 -0.115 0.000 0.992 295 V HN 0.349 nan 8.190 nan 0.000 0.457 296 A N 3.680 126.358 122.820 -0.237 0.000 2.684 296 A HA 0.670 4.988 4.320 -0.003 0.000 0.289 296 A C -0.699 176.794 177.584 -0.152 0.000 1.139 296 A CA -0.631 51.275 52.037 -0.218 0.000 0.793 296 A CB 0.657 19.419 19.000 -0.397 0.000 1.334 296 A HN 0.843 nan 8.150 nan 0.000 0.408 297 D N 1.455 121.823 120.400 -0.054 0.000 2.723 297 D HA 0.848 5.486 4.640 -0.003 0.000 0.247 297 D C 0.432 176.752 176.300 0.033 0.000 1.134 297 D CA 0.094 54.065 54.000 -0.050 0.000 1.099 297 D CB 1.345 42.172 40.800 0.044 0.000 1.287 297 D HN 0.804 nan 8.370 nan 0.000 0.634 298 G N -1.649 107.180 108.800 0.048 0.000 2.753 298 G HA2 0.586 4.543 3.960 -0.003 0.000 0.303 298 G HA3 0.586 4.543 3.960 -0.003 0.000 0.303 298 G C -1.053 173.872 174.900 0.041 0.000 1.242 298 G CA -0.706 44.409 45.100 0.025 0.000 0.810 298 G HN 0.447 nan 8.290 nan 0.000 0.515 299 R N -1.284 119.236 120.500 0.034 0.000 2.831 299 R HA 0.629 4.967 4.340 -0.003 0.000 0.266 299 R C -1.480 174.900 176.300 0.133 0.000 1.051 299 R CA -0.728 55.427 56.100 0.091 0.000 0.943 299 R CB 1.702 32.084 30.300 0.137 0.000 1.228 299 R HN 0.599 nan 8.270 nan 0.000 0.467 300 I N 1.257 121.913 120.570 0.144 0.000 2.608 300 I HA 0.292 4.459 4.170 -0.003 0.000 0.295 300 I C -0.713 175.480 176.117 0.127 0.000 1.049 300 I CA -1.069 60.317 61.300 0.143 0.000 1.063 300 I CB 1.440 39.498 38.000 0.097 0.000 1.248 300 I HN 0.229 nan 8.210 nan 0.000 0.424 301 L N 6.269 127.565 121.223 0.122 0.000 2.410 301 L HA 0.126 4.464 4.340 -0.003 0.000 0.273 301 L C 1.565 178.436 176.870 0.000 0.000 1.144 301 L CA 0.433 55.281 54.840 0.013 0.000 0.863 301 L CB 1.029 43.118 42.059 0.050 0.000 1.140 301 L HN 0.805 nan 8.230 nan 0.000 0.463 302 T N -1.557 112.963 114.554 -0.057 0.000 3.088 302 T HA 0.067 4.415 4.350 -0.003 0.000 0.259 302 T C 0.717 175.402 174.700 -0.024 0.000 1.122 302 T CA 0.459 62.538 62.100 -0.035 0.000 1.095 302 T CB 0.142 68.969 68.868 -0.068 0.000 0.930 302 T HN 0.650 nan 8.240 nan 0.000 0.508 303 S N -0.416 115.272 115.700 -0.020 0.000 2.636 303 S HA 0.422 4.890 4.470 -0.003 0.000 0.266 303 S C -2.166 172.447 174.600 0.020 0.000 1.147 303 S CA -1.160 57.043 58.200 0.006 0.000 0.815 303 S CB 0.764 63.972 63.200 0.013 0.000 1.119 303 S HN 0.039 nan 8.310 nan 0.000 0.470 304 D N 1.033 121.448 120.400 0.025 0.000 2.455 304 D HA 0.501 5.139 4.640 -0.003 0.000 0.241 304 D C -0.867 175.486 176.300 0.088 0.000 1.138 304 D CA 1.095 55.113 54.000 0.029 0.000 0.877 304 D CB 0.098 40.903 40.800 0.007 0.000 1.187 304 D HN 0.538 nan 8.370 nan 0.000 0.451 305 Y N 0.433 120.656 120.300 -0.129 0.000 2.436 305 Y HA 0.170 4.718 4.550 -0.003 0.000 0.327 305 Y C -1.210 174.613 175.900 -0.129 0.000 1.138 305 Y CA -0.888 57.087 58.100 -0.209 0.000 1.042 305 Y CB 1.228 39.421 38.460 -0.444 0.000 1.302 305 Y HN 0.267 nan 8.280 nan 0.000 0.439 306 E N 5.770 125.660 120.200 -0.516 0.000 2.152 306 E HA 0.267 4.615 4.350 -0.003 0.000 0.285 306 E C -1.667 174.497 176.600 -0.727 0.000 1.043 306 E CA -0.333 55.796 56.400 -0.452 0.000 0.839 306 E CB 1.142 30.681 29.700 -0.268 0.000 1.069 306 E HN 0.389 nan 8.360 nan 0.000 0.399 307 F N 3.646 123.233 119.950 -0.605 0.000 2.445 307 F HA 0.189 4.714 4.527 -0.003 0.000 0.348 307 F C 0.012 175.735 175.800 -0.130 0.000 1.125 307 F CA -0.712 57.043 58.000 -0.409 0.000 0.983 307 F CB 0.365 39.261 39.000 -0.172 0.000 1.198 307 F HN 0.545 nan 8.300 nan 0.000 0.436 308 H N 4.077 122.831 119.070 -0.527 0.000 2.692 308 H HA -0.192 4.361 4.556 -0.004 0.000 0.316 308 H C 1.424 176.604 175.328 -0.246 0.000 1.176 308 H CA 1.136 56.922 56.048 -0.436 0.000 1.142 308 H CB -0.998 28.407 29.762 -0.595 0.000 1.475 308 H HN 1.169 nan 8.280 nan 0.000 0.423 309 G N -1.122 107.589 108.800 -0.148 0.000 2.184 309 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.264 309 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.264 309 G C 0.287 175.154 174.900 -0.056 0.000 0.975 309 G CA 0.372 45.421 45.100 -0.085 0.000 0.642 309 G HN 0.485 nan 8.290 nan 0.000 0.536 310 V N 0.447 120.310 119.914 -0.085 0.000 2.513 310 V HA 0.616 4.733 4.120 -0.003 0.000 0.299 310 V C 0.323 176.350 176.094 -0.113 0.000 1.035 310 V CA -0.808 61.437 62.300 -0.092 0.000 0.889 310 V CB 1.861 33.568 31.823 -0.194 0.000 0.988 310 V HN 0.327 nan 8.190 nan 0.000 0.440 311 Q N 4.194 123.980 119.800 -0.025 0.000 2.337 311 Q HA 0.485 4.823 4.340 -0.003 0.000 0.255 311 Q C -1.126 174.936 176.000 0.104 0.000 0.997 311 Q CA 0.285 56.101 55.803 0.021 0.000 0.925 311 Q CB 0.584 29.373 28.738 0.085 0.000 1.212 311 Q HN 0.674 nan 8.270 nan 0.000 0.436 312 L N 3.558 124.787 121.223 0.010 0.000 2.334 312 L HA 0.605 4.943 4.340 -0.003 0.000 0.275 312 L C 0.162 177.076 176.870 0.072 0.000 1.036 312 L CA -1.064 53.833 54.840 0.096 0.000 0.807 312 L CB 1.344 43.383 42.059 -0.034 0.000 1.231 312 L HN 0.380 nan 8.230 nan 0.000 0.438 313 K N 1.726 122.172 120.400 0.077 0.000 2.203 313 K HA 0.324 4.642 4.320 -0.003 0.000 0.251 313 K C -0.666 175.960 176.600 0.044 0.000 0.944 313 K CA -0.959 55.285 56.287 -0.072 0.000 0.829 313 K CB 2.209 34.480 32.500 -0.382 0.000 1.125 313 K HN 0.414 nan 8.250 nan 0.000 0.430 314 K N 0.160 120.570 120.400 0.016 0.000 2.511 314 K HA 0.013 4.331 4.320 -0.003 0.000 0.280 314 K C 0.754 177.397 176.600 0.072 0.000 1.008 314 K CA 1.580 57.890 56.287 0.039 0.000 1.050 314 K CB -0.070 32.442 32.500 0.020 0.000 0.889 314 K HN 0.774 nan 8.250 nan 0.000 0.484 315 G N 3.042 111.900 108.800 0.098 0.000 2.258 315 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.233 315 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.233 315 G C -0.354 174.662 174.900 0.194 0.000 1.006 315 G CA 0.113 45.286 45.100 0.122 0.000 0.620 315 G HN 0.721 nan 8.290 nan 0.000 0.511 316 D N 1.693 122.256 120.400 0.272 0.000 2.443 316 D HA 0.433 5.071 4.640 -0.003 0.000 0.239 316 D C 0.830 177.364 176.300 0.390 0.000 1.136 316 D CA 0.556 54.821 54.000 0.442 0.000 0.879 316 D CB 0.569 41.794 40.800 0.707 0.000 1.195 316 D HN 0.516 nan 8.370 nan 0.000 0.443 317 Q N 0.663 120.685 119.800 0.369 0.000 2.235 317 Q HA 0.591 4.929 4.340 -0.003 0.000 0.256 317 Q C -0.633 175.580 176.000 0.354 0.000 0.951 317 Q CA -0.896 55.065 55.803 0.262 0.000 0.890 317 Q CB 2.468 31.281 28.738 0.124 0.000 1.279 317 Q HN 0.360 nan 8.270 nan 0.000 0.444 318 I N 2.251 122.977 120.570 0.260 0.000 2.499 318 I HA 0.285 4.453 4.170 -0.003 0.000 0.288 318 I C -1.920 174.249 176.117 0.087 0.000 1.048 318 I CA -0.815 60.642 61.300 0.261 0.000 1.062 318 I CB 1.557 39.692 38.000 0.225 0.000 1.238 318 I HN 0.500 nan 8.210 nan 0.000 0.426 319 L N 8.110 129.397 121.223 0.107 0.000 2.290 319 L HA 0.517 4.855 4.340 -0.003 0.000 0.284 319 L C -1.076 175.802 176.870 0.012 0.000 1.078 319 L CA 0.131 54.989 54.840 0.030 0.000 0.815 319 L CB 0.674 42.778 42.059 0.076 0.000 1.162 319 L HN 0.580 nan 8.230 nan 0.000 0.435 320 L N 7.571 128.768 121.223 -0.043 0.000 2.506 320 L HA 0.375 4.713 4.340 -0.003 0.000 0.247 320 L C -2.117 174.784 176.870 0.052 0.000 1.141 320 L CA -1.748 53.037 54.840 -0.092 0.000 0.973 320 L CB 0.664 42.442 42.059 -0.468 0.000 1.319 320 L HN 0.477 nan 8.230 nan 0.000 0.455 321 P HA -0.027 nan 4.420 nan 0.000 0.252 321 P C 0.377 177.645 177.300 -0.054 0.000 1.183 321 P CA 0.243 63.307 63.100 -0.060 0.000 0.973 321 P CB 0.517 32.187 31.700 -0.051 0.000 0.990 322 Q N 2.130 121.913 119.800 -0.030 0.000 2.308 322 Q HA -0.198 4.140 4.340 -0.003 0.000 0.209 322 Q C 1.855 177.782 176.000 -0.121 0.000 0.985 322 Q CA 1.473 57.257 55.803 -0.031 0.000 0.881 322 Q CB -0.438 28.255 28.738 -0.075 0.000 0.917 322 Q HN 0.530 nan 8.270 nan 0.000 0.443 323 M N -0.371 119.101 119.600 -0.213 0.000 2.099 323 M HA -0.171 4.307 4.480 -0.003 0.000 0.262 323 M C 1.544 177.726 176.300 -0.197 0.000 1.067 323 M CA 1.493 56.630 55.300 -0.271 0.000 1.124 323 M CB -0.002 32.326 32.600 -0.454 0.000 1.353 323 M HN 0.287 nan 8.290 nan 0.000 0.410 324 L N -0.191 120.941 121.223 -0.152 0.000 2.127 324 L HA -0.202 4.136 4.340 -0.003 0.000 0.211 324 L C 2.427 179.247 176.870 -0.083 0.000 1.089 324 L CA 1.052 55.835 54.840 -0.096 0.000 0.757 324 L CB -0.680 41.344 42.059 -0.059 0.000 0.899 324 L HN 0.366 nan 8.230 nan 0.000 0.434 325 S N 0.201 115.859 115.700 -0.071 0.000 2.359 325 S HA -0.174 4.294 4.470 -0.003 0.000 0.224 325 S C 2.020 176.586 174.600 -0.056 0.000 1.035 325 S CA 1.436 59.600 58.200 -0.060 0.000 1.018 325 S CB -0.676 62.496 63.200 -0.047 0.000 0.876 325 S HN 0.628 nan 8.310 nan 0.000 0.448 326 G N 1.028 109.794 108.800 -0.056 0.000 2.443 326 G HA2 -0.056 3.902 3.960 -0.003 0.000 0.219 326 G HA3 -0.056 3.902 3.960 -0.003 0.000 0.219 326 G C 1.118 175.967 174.900 -0.084 0.000 1.131 326 G CA 0.394 45.463 45.100 -0.052 0.000 0.775 326 G HN 0.472 nan 8.290 nan 0.000 0.547 327 L N 0.427 121.589 121.223 -0.101 0.000 2.592 327 L HA 0.178 4.516 4.340 -0.003 0.000 0.227 327 L C 0.430 177.256 176.870 -0.074 0.000 1.127 327 L CA -0.342 54.438 54.840 -0.100 0.000 0.884 327 L CB 0.076 42.068 42.059 -0.112 0.000 1.065 327 L HN 0.023 nan 8.230 nan 0.000 0.457 328 D N 1.944 122.303 120.400 -0.068 0.000 2.363 328 D HA -0.076 4.562 4.640 -0.003 0.000 0.263 328 D C 1.415 177.685 176.300 -0.050 0.000 1.258 328 D CA 0.097 54.060 54.000 -0.061 0.000 0.907 328 D CB 0.955 41.716 40.800 -0.065 0.000 1.107 328 D HN 0.378 nan 8.370 nan 0.000 0.495 329 E N 3.777 123.950 120.200 -0.045 0.000 2.219 329 E HA -0.262 4.086 4.350 -0.003 0.000 0.198 329 E C 1.105 177.684 176.600 -0.034 0.000 0.998 329 E CA 0.849 57.228 56.400 -0.035 0.000 0.818 329 E CB -0.088 29.595 29.700 -0.029 0.000 0.741 329 E HN 0.468 nan 8.360 nan 0.000 0.477 330 R N 0.431 120.908 120.500 -0.039 0.000 2.235 330 R HA 0.011 4.349 4.340 -0.003 0.000 0.213 330 R C 1.860 178.139 176.300 -0.035 0.000 1.059 330 R CA 1.185 57.263 56.100 -0.037 0.000 0.997 330 R CB 0.021 30.295 30.300 -0.043 0.000 0.884 330 R HN 0.343 nan 8.270 nan 0.000 0.462 331 E N -0.342 119.836 120.200 -0.038 0.000 2.290 331 E HA 0.110 4.457 4.350 -0.003 0.000 0.197 331 E C -0.242 176.341 176.600 -0.028 0.000 0.948 331 E CA 0.210 56.589 56.400 -0.035 0.000 0.895 331 E CB 0.604 30.278 29.700 -0.042 0.000 0.865 331 E HN 0.189 nan 8.360 nan 0.000 0.486 332 N N 0.358 119.041 118.700 -0.029 0.000 2.500 332 N HA 0.266 5.004 4.740 -0.003 0.000 0.291 332 N C -1.203 174.292 175.510 -0.024 0.000 1.092 332 N CA -0.192 52.843 53.050 -0.024 0.000 0.890 332 N CB 2.015 40.487 38.487 -0.025 0.000 1.466 332 N HN -0.032 nan 8.380 nan 0.000 0.507 333 A N 0.513 123.319 122.820 -0.022 0.000 2.445 333 A HA 0.276 4.594 4.320 -0.003 0.000 0.242 333 A C 0.776 178.346 177.584 -0.022 0.000 1.075 333 A CA -0.009 52.013 52.037 -0.025 0.000 0.777 333 A CB -0.163 18.819 19.000 -0.030 0.000 1.013 333 A HN 0.970 nan 8.150 nan 0.000 0.493 334 C N 1.924 121.217 119.300 -0.012 0.000 3.727 334 C HA -0.104 4.354 4.460 -0.003 0.000 0.293 334 C C -0.237 174.796 174.990 0.071 0.000 1.339 334 C CA -0.033 59.007 59.018 0.036 0.000 2.150 334 C CB -2.434 25.244 27.740 -0.103 0.000 1.383 334 C HN 0.883 nan 8.230 nan 0.000 0.614 335 P HA -0.205 nan 4.420 nan 0.000 0.216 335 P C 1.412 178.674 177.300 -0.064 0.000 1.150 335 P CA 1.727 64.809 63.100 -0.029 0.000 0.843 335 P CB -0.010 31.662 31.700 -0.047 0.000 0.787 336 M N -1.755 117.821 119.600 -0.041 0.000 2.562 336 M HA 0.021 4.498 4.480 -0.003 0.000 0.257 336 M C 1.075 177.275 176.300 -0.166 0.000 1.099 336 M CA 0.513 55.733 55.300 -0.133 0.000 1.099 336 M CB -1.491 31.032 32.600 -0.128 0.000 1.427 336 M HN 0.064 nan 8.290 nan 0.000 0.489 337 H N 0.245 119.256 119.070 -0.097 0.000 2.548 337 H HA 0.279 4.833 4.556 -0.004 0.000 0.331 337 H C -0.426 174.828 175.328 -0.123 0.000 1.093 337 H CA -0.287 55.721 56.048 -0.068 0.000 1.367 337 H CB 1.764 31.509 29.762 -0.029 0.000 1.455 337 H HN -0.169 nan 8.280 nan 0.000 0.519 338 V N 4.081 123.976 119.914 -0.033 0.000 2.348 338 V HA -0.000 4.118 4.120 -0.003 0.000 0.270 338 V C 0.177 176.248 176.094 -0.038 0.000 1.037 338 V CA -0.242 61.950 62.300 -0.180 0.000 0.872 338 V CB 1.042 32.531 31.823 -0.557 0.000 1.002 338 V HN 0.689 nan 8.190 nan 0.000 0.464 339 D N 4.216 124.587 120.400 -0.048 0.000 2.440 339 D HA 0.353 4.991 4.640 -0.003 0.000 0.252 339 D C 0.470 176.821 176.300 0.085 0.000 1.180 339 D CA -0.553 53.439 54.000 -0.014 0.000 0.894 339 D CB 0.994 41.806 40.800 0.020 0.000 1.111 339 D HN 0.222 nan 8.370 nan 0.000 0.544 340 F N 1.301 121.339 119.950 0.147 0.000 2.408 340 F HA -0.024 4.501 4.527 -0.003 0.000 0.300 340 F C 2.144 177.992 175.800 0.080 0.000 1.090 340 F CA 0.481 58.552 58.000 0.118 0.000 1.427 340 F CB -0.418 38.667 39.000 0.141 0.000 1.070 340 F HN 0.285 nan 8.300 nan 0.000 0.549 341 S N -0.780 115.053 115.700 0.222 0.000 2.614 341 S HA 0.090 4.558 4.470 -0.003 0.000 0.230 341 S C 0.807 175.465 174.600 0.096 0.000 0.952 341 S CA -0.496 57.787 58.200 0.138 0.000 0.949 341 S CB -0.332 62.927 63.200 0.099 0.000 0.786 341 S HN 0.148 nan 8.310 nan 0.000 0.478 342 R N 2.164 122.726 120.500 0.103 0.000 2.480 342 R HA 0.016 4.354 4.340 -0.003 0.000 0.303 342 R C 1.208 177.546 176.300 0.062 0.000 0.985 342 R CA 0.099 56.240 56.100 0.068 0.000 1.051 342 R CB 0.267 30.608 30.300 0.069 0.000 0.935 342 R HN 0.241 nan 8.270 nan 0.000 0.410 343 Q N 2.438 122.263 119.800 0.043 0.000 2.002 343 Q HA -0.192 4.146 4.340 -0.003 0.000 0.204 343 Q C 0.278 176.299 176.000 0.035 0.000 0.988 343 Q CA 1.731 57.556 55.803 0.036 0.000 0.843 343 Q CB -0.113 28.639 28.738 0.024 0.000 0.908 343 Q HN 0.261 nan 8.270 nan 0.000 0.420 344 K N 0.836 121.252 120.400 0.028 0.000 2.530 344 K HA 0.251 4.569 4.320 -0.003 0.000 0.230 344 K C -1.512 175.103 176.600 0.025 0.000 1.002 344 K CA -0.305 55.995 56.287 0.022 0.000 1.014 344 K CB 0.903 33.409 32.500 0.010 0.000 1.286 344 K HN -0.216 nan 8.250 nan 0.000 0.480 345 V N 3.183 123.123 119.914 0.043 0.000 2.381 345 V HA 0.153 4.271 4.120 -0.003 0.000 0.257 345 V C 0.201 176.316 176.094 0.035 0.000 1.057 345 V CA -0.305 62.036 62.300 0.068 0.000 1.013 345 V CB 0.441 32.339 31.823 0.126 0.000 1.069 345 V HN 0.729 nan 8.190 nan 0.000 0.484 346 S N 5.090 120.798 115.700 0.014 0.000 2.480 346 S HA 0.718 5.186 4.470 -0.003 0.000 0.286 346 S C -0.545 174.062 174.600 0.011 0.000 1.180 346 S CA -0.443 57.730 58.200 -0.045 0.000 1.075 346 S CB 0.277 63.455 63.200 -0.038 0.000 0.996 346 S HN 1.118 nan 8.310 nan 0.000 0.487 347 H N -0.022 119.020 119.070 -0.047 0.000 2.904 347 H HA 0.471 5.024 4.556 -0.004 0.000 0.290 347 H C -0.580 174.708 175.328 -0.066 0.000 1.437 347 H CA -0.353 55.649 56.048 -0.078 0.000 1.147 347 H CB 0.588 30.287 29.762 -0.105 0.000 1.824 347 H HN 0.318 nan 8.280 nan 0.000 0.505 348 T N -2.622 112.037 114.554 0.175 0.000 3.487 348 T HA 0.185 4.533 4.350 -0.003 0.000 0.287 348 T C 0.383 175.134 174.700 0.085 0.000 1.004 348 T CA 0.125 62.294 62.100 0.114 0.000 0.977 348 T CB -0.444 68.437 68.868 0.022 0.000 1.180 348 T HN 0.615 nan 8.240 nan 0.000 0.490 349 T N 1.282 115.904 114.554 0.113 0.000 2.833 349 T HA 0.038 4.386 4.350 -0.003 0.000 0.269 349 T C 0.390 174.862 174.700 -0.379 0.000 1.054 349 T CA 1.187 63.082 62.100 -0.342 0.000 1.135 349 T CB -0.371 68.006 68.868 -0.818 0.000 0.869 349 T HN 0.476 nan 8.240 nan 0.000 0.466 350 F N 1.071 121.030 119.950 0.015 0.000 2.668 350 F HA 0.492 5.017 4.527 -0.003 0.000 0.297 350 F C 1.548 177.317 175.800 -0.052 0.000 1.124 350 F CA -0.428 57.550 58.000 -0.037 0.000 1.353 350 F CB -0.346 38.637 39.000 -0.029 0.000 0.992 350 F HN 0.276 nan 8.300 nan 0.000 0.524 351 G N 0.144 108.975 108.800 0.052 0.000 2.627 351 G HA2 -0.056 3.902 3.960 -0.003 0.000 0.214 351 G HA3 -0.056 3.902 3.960 -0.003 0.000 0.214 351 G C -1.487 173.421 174.900 0.013 0.000 1.331 351 G CA -0.653 44.395 45.100 -0.087 0.000 0.891 351 G HN 0.537 nan 8.290 nan 0.000 0.539 352 H N -1.020 117.927 119.070 -0.206 0.000 3.112 352 H HA 0.676 5.230 4.556 -0.003 0.000 0.347 352 H C 0.534 175.874 175.328 0.021 0.000 1.188 352 H CA 1.918 57.936 56.048 -0.049 0.000 1.240 352 H CB 1.209 30.987 29.762 0.027 0.000 1.920 352 H HN 2.638 nan 8.280 nan 0.000 0.535 353 G N 1.424 109.996 108.800 -0.381 0.000 2.466 353 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.218 353 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.218 353 G C 1.043 175.911 174.900 -0.053 0.000 1.237 353 G CA 0.507 45.524 45.100 -0.138 0.000 0.954 353 G HN 1.381 nan 8.290 nan 0.000 0.580 354 S N -0.838 114.863 115.700 0.002 0.000 2.489 354 S HA 0.051 4.518 4.470 -0.003 0.000 0.228 354 S C 1.255 175.733 174.600 -0.204 0.000 0.995 354 S CA 1.639 59.764 58.200 -0.125 0.000 0.934 354 S CB -0.199 62.855 63.200 -0.242 0.000 0.771 354 S HN 0.719 nan 8.310 nan 0.000 0.522 355 H N 0.883 119.940 119.070 -0.022 0.000 2.507 355 H HA 0.384 4.938 4.556 -0.003 0.000 0.294 355 H C 0.016 175.324 175.328 -0.033 0.000 1.064 355 H CA -0.393 55.645 56.048 -0.016 0.000 1.138 355 H CB -0.084 29.678 29.762 -0.001 0.000 1.515 355 H HN 0.358 nan 8.280 nan 0.000 0.547 356 L N 1.452 122.694 121.223 0.031 0.000 2.615 356 L HA -0.129 4.209 4.340 -0.003 0.000 0.284 356 L C 0.968 177.841 176.870 0.006 0.000 1.237 356 L CA 0.060 54.907 54.840 0.012 0.000 0.905 356 L CB 0.263 42.312 42.059 -0.017 0.000 1.149 356 L HN 0.389 nan 8.230 nan 0.000 0.499 357 C N 5.286 124.595 119.300 0.014 0.000 2.334 357 C HA -0.067 4.391 4.460 -0.003 0.000 0.395 357 C C 1.728 176.639 174.990 -0.131 0.000 1.507 357 C CA -0.165 58.835 59.018 -0.030 0.000 1.494 357 C CB -0.816 26.926 27.740 0.004 0.000 2.509 357 C HN 0.780 nan 8.230 nan 0.000 0.599 358 L N 4.950 126.127 121.223 -0.076 0.000 2.529 358 L HA 0.211 4.549 4.340 -0.003 0.000 0.223 358 L C 2.271 179.081 176.870 -0.100 0.000 1.113 358 L CA 1.019 55.818 54.840 -0.069 0.000 0.861 358 L CB -0.286 41.773 42.059 0.001 0.000 1.012 358 L HN 0.967 nan 8.230 nan 0.000 0.461 359 G N -0.571 108.149 108.800 -0.133 0.000 3.233 359 G HA2 -0.034 3.924 3.960 -0.003 0.000 0.234 359 G HA3 -0.034 3.924 3.960 -0.003 0.000 0.234 359 G C 1.302 176.042 174.900 -0.265 0.000 1.137 359 G CA -0.142 44.886 45.100 -0.120 0.000 0.763 359 G HN 0.475 nan 8.290 nan 0.000 0.549 360 Q N -0.158 119.290 119.800 -0.587 0.000 2.226 360 Q HA -0.166 4.172 4.340 -0.003 0.000 0.204 360 Q C 1.673 177.291 176.000 -0.636 0.000 0.975 360 Q CA 1.162 56.355 55.803 -1.017 0.000 0.866 360 Q CB -0.485 27.161 28.738 -1.820 0.000 0.915 360 Q HN 0.463 nan 8.270 nan 0.000 0.440 361 H N 0.450 119.381 119.070 -0.231 0.000 2.395 361 H HA -0.032 4.522 4.556 -0.003 0.000 0.299 361 H C 2.130 177.425 175.328 -0.056 0.000 1.070 361 H CA 1.272 57.249 56.048 -0.117 0.000 1.356 361 H CB -0.075 29.637 29.762 -0.084 0.000 1.401 361 H HN 0.263 nan 8.280 nan 0.000 0.524 362 L N 1.188 122.437 121.223 0.043 0.000 2.056 362 L HA 0.021 4.358 4.340 -0.003 0.000 0.207 362 L C 2.498 179.392 176.870 0.041 0.000 1.078 362 L CA 1.673 56.538 54.840 0.042 0.000 0.749 362 L CB -0.809 41.270 42.059 0.032 0.000 0.901 362 L HN 0.146 nan 8.230 nan 0.000 0.433 363 A N -0.280 122.548 122.820 0.013 0.000 1.877 363 A HA -0.203 4.115 4.320 -0.003 0.000 0.216 363 A C 2.444 180.100 177.584 0.121 0.000 1.186 363 A CA 1.730 53.813 52.037 0.075 0.000 0.620 363 A CB -0.567 18.500 19.000 0.112 0.000 0.822 363 A HN 0.481 nan 8.150 nan 0.000 0.443 364 R N -1.175 119.379 120.500 0.090 0.000 2.096 364 R HA -0.149 4.189 4.340 -0.003 0.000 0.235 364 R C 2.477 178.863 176.300 0.143 0.000 1.127 364 R CA 1.667 57.842 56.100 0.126 0.000 0.968 364 R CB -0.260 30.100 30.300 0.099 0.000 0.861 364 R HN 0.512 nan 8.270 nan 0.000 0.440 365 R N 1.379 121.956 120.500 0.129 0.000 2.081 365 R HA -0.131 4.207 4.340 -0.003 0.000 0.235 365 R C 1.757 178.183 176.300 0.210 0.000 1.131 365 R CA 1.671 57.857 56.100 0.145 0.000 0.960 365 R CB -0.034 30.337 30.300 0.117 0.000 0.856 365 R HN 0.262 nan 8.270 nan 0.000 0.436 366 E N -0.281 120.055 120.200 0.228 0.000 2.106 366 E HA -0.163 4.185 4.350 -0.003 0.000 0.192 366 E C 1.942 178.811 176.600 0.449 0.000 0.984 366 E CA 1.479 58.111 56.400 0.386 0.000 0.806 366 E CB -0.086 29.753 29.700 0.232 0.000 0.750 366 E HN 0.405 nan 8.360 nan 0.000 0.458 367 I N 0.373 121.142 120.570 0.330 0.000 2.233 367 I HA -0.235 3.933 4.170 -0.003 0.000 0.243 367 I C 2.054 178.318 176.117 0.244 0.000 1.093 367 I CA 0.676 62.171 61.300 0.326 0.000 1.380 367 I CB -0.082 38.118 38.000 0.334 0.000 1.067 367 I HN 0.068 nan 8.210 nan 0.000 0.413 368 I N 0.110 120.800 120.570 0.199 0.000 2.226 368 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 368 I C 2.425 178.625 176.117 0.139 0.000 1.100 368 I CA 1.337 62.723 61.300 0.144 0.000 1.374 368 I CB -0.552 37.519 38.000 0.119 0.000 1.057 368 I HN -0.035 nan 8.210 nan 0.000 0.413 369 V N -0.042 119.977 119.914 0.175 0.000 2.343 369 V HA -0.293 3.825 4.120 -0.003 0.000 0.247 369 V C 2.435 178.598 176.094 0.115 0.000 1.051 369 V CA 2.351 64.744 62.300 0.156 0.000 1.036 369 V CB -1.050 30.907 31.823 0.224 0.000 0.654 369 V HN 0.459 nan 8.190 nan 0.000 0.451 370 T N 0.437 115.077 114.554 0.142 0.000 2.708 370 T HA -0.129 4.219 4.350 -0.003 0.000 0.266 370 T C 1.898 176.647 174.700 0.082 0.000 1.037 370 T CA 1.566 63.718 62.100 0.087 0.000 1.146 370 T CB -0.298 68.684 68.868 0.190 0.000 0.865 370 T HN 0.288 nan 8.240 nan 0.000 0.435 371 L N 0.759 122.040 121.223 0.097 0.000 2.012 371 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 371 L C 2.817 179.743 176.870 0.093 0.000 1.073 371 L CA 1.474 56.364 54.840 0.083 0.000 0.748 371 L CB -0.519 41.583 42.059 0.072 0.000 0.891 371 L HN 0.192 nan 8.230 nan 0.000 0.431 372 K N 0.031 120.477 120.400 0.076 0.000 2.001 372 K HA -0.173 4.145 4.320 -0.003 0.000 0.208 372 K C 1.950 178.579 176.600 0.048 0.000 1.048 372 K CA 1.332 57.654 56.287 0.059 0.000 0.932 372 K CB 0.075 32.606 32.500 0.052 0.000 0.715 372 K HN 0.221 nan 8.250 nan 0.000 0.437 373 E N -0.143 120.083 120.200 0.042 0.000 2.274 373 E HA -0.179 4.169 4.350 -0.003 0.000 0.194 373 E C 1.658 178.236 176.600 -0.036 0.000 0.996 373 E CA 0.511 56.910 56.400 -0.001 0.000 0.840 373 E CB -0.217 29.480 29.700 -0.006 0.000 0.772 373 E HN 0.515 nan 8.360 nan 0.000 0.491 374 W N 1.231 122.422 121.300 -0.182 0.000 2.444 374 W HA -0.025 4.633 4.660 -0.004 0.000 0.308 374 W C 1.705 178.110 176.519 -0.189 0.000 1.183 374 W CA 0.687 57.872 57.345 -0.267 0.000 1.340 374 W CB -0.305 28.943 29.460 -0.353 0.000 1.138 374 W HN -0.001 nan 8.180 nan 0.000 0.510 375 L N 0.561 121.898 121.223 0.191 0.000 2.275 375 L HA -0.191 4.147 4.340 -0.003 0.000 0.215 375 L C 2.302 179.178 176.870 0.010 0.000 1.119 375 L CA 1.432 56.359 54.840 0.146 0.000 0.790 375 L CB -1.026 41.131 42.059 0.162 0.000 0.919 375 L HN -0.132 nan 8.230 nan 0.000 0.443 376 T N -0.696 113.840 114.554 -0.031 0.000 2.821 376 T HA -0.109 4.239 4.350 -0.003 0.000 0.267 376 T C 2.038 176.671 174.700 -0.111 0.000 1.046 376 T CA 1.199 63.267 62.100 -0.053 0.000 1.139 376 T CB 0.007 68.850 68.868 -0.042 0.000 0.871 376 T HN 0.346 nan 8.240 nan 0.000 0.454 377 R N -0.289 120.085 120.500 -0.210 0.000 2.146 377 R HA 0.278 4.616 4.340 -0.003 0.000 0.206 377 R C -0.120 175.957 176.300 -0.372 0.000 1.049 377 R CA 0.529 56.460 56.100 -0.282 0.000 1.029 377 R CB 0.368 30.455 30.300 -0.355 0.000 0.949 377 R HN 0.242 nan 8.270 nan 0.000 0.471 378 I N 2.004 122.261 120.570 -0.522 0.000 2.782 378 I HA 0.169 4.337 4.170 -0.003 0.000 0.279 378 I C -1.957 174.098 176.117 -0.104 0.000 1.247 378 I CA -1.807 59.168 61.300 -0.543 0.000 1.062 378 I CB 1.965 39.225 38.000 -1.234 0.000 1.421 378 I HN -0.120 nan 8.210 nan 0.000 0.558 379 P HA -0.063 nan 4.420 nan 0.000 0.221 379 P C 0.123 177.490 177.300 0.112 0.000 1.150 379 P CA 1.040 64.199 63.100 0.098 0.000 0.800 379 P CB 0.514 32.232 31.700 0.030 0.000 0.787 380 D N -0.234 120.236 120.400 0.116 0.000 2.481 380 D HA 0.459 5.097 4.640 -0.003 0.000 0.246 380 D C -0.898 175.547 176.300 0.242 0.000 1.109 380 D CA -0.759 53.278 54.000 0.062 0.000 0.845 380 D CB 0.659 41.488 40.800 0.049 0.000 1.160 380 D HN -0.049 nan 8.370 nan 0.000 0.534 381 F N 0.414 120.421 119.950 0.095 0.000 2.713 381 F HA 0.816 5.341 4.527 -0.003 0.000 0.311 381 F C -1.100 174.776 175.800 0.127 0.000 1.141 381 F CA -0.879 57.238 58.000 0.196 0.000 0.939 381 F CB 1.138 40.271 39.000 0.221 0.000 1.325 381 F HN 0.125 nan 8.300 nan 0.000 0.453 382 S N 0.541 116.448 115.700 0.346 0.000 2.671 382 S HA 0.664 5.132 4.470 -0.003 0.000 0.277 382 S C -1.204 173.520 174.600 0.206 0.000 1.165 382 S CA -0.744 57.549 58.200 0.155 0.000 0.822 382 S CB 1.876 65.121 63.200 0.076 0.000 1.150 382 S HN 0.599 nan 8.310 nan 0.000 0.479 383 I N 2.109 122.745 120.570 0.109 0.000 2.634 383 I HA 0.365 4.533 4.170 -0.003 0.000 0.284 383 I C 0.981 177.148 176.117 0.084 0.000 1.124 383 I CA 0.125 61.483 61.300 0.095 0.000 1.417 383 I CB 0.145 38.173 38.000 0.048 0.000 1.396 383 I HN 0.789 nan 8.210 nan 0.000 0.571 384 A N 7.266 130.134 122.820 0.080 0.000 2.520 384 A HA 0.302 4.620 4.320 -0.003 0.000 0.235 384 A C -2.157 175.447 177.584 0.034 0.000 1.065 384 A CA -0.836 51.232 52.037 0.053 0.000 0.764 384 A CB -0.966 18.060 19.000 0.043 0.000 1.002 384 A HN 0.569 nan 8.150 nan 0.000 0.502 385 P HA 0.187 nan 4.420 nan 0.000 0.261 385 P C 0.991 178.299 177.300 0.013 0.000 1.183 385 P CA 1.915 65.024 63.100 0.015 0.000 0.761 385 P CB 0.340 32.044 31.700 0.008 0.000 0.785 386 G N 2.248 111.054 108.800 0.011 0.000 2.187 386 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.261 386 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.261 386 G C 0.431 175.338 174.900 0.012 0.000 1.000 386 G CA 0.097 45.203 45.100 0.009 0.000 0.718 386 G HN 0.855 nan 8.290 nan 0.000 0.519 387 A N -0.634 122.195 122.820 0.016 0.000 2.327 387 A HA 0.742 5.060 4.320 -0.003 0.000 0.283 387 A C 0.330 177.923 177.584 0.015 0.000 1.127 387 A CA -0.082 51.966 52.037 0.019 0.000 0.810 387 A CB 0.593 19.611 19.000 0.029 0.000 1.066 387 A HN 0.484 nan 8.150 nan 0.000 0.492 388 Q N 2.091 121.899 119.800 0.013 0.000 2.401 388 Q HA 0.317 4.655 4.340 -0.003 0.000 0.260 388 Q C -0.831 175.173 176.000 0.006 0.000 1.034 388 Q CA -0.608 55.198 55.803 0.005 0.000 0.737 388 Q CB 1.503 30.242 28.738 0.002 0.000 1.227 388 Q HN 0.648 nan 8.270 nan 0.000 0.488 389 I N 2.899 123.472 120.570 0.004 0.000 2.662 389 I HA -0.045 4.123 4.170 -0.003 0.000 0.285 389 I C 0.423 176.528 176.117 -0.020 0.000 1.161 389 I CA 0.623 61.932 61.300 0.015 0.000 1.415 389 I CB -0.076 37.946 38.000 0.035 0.000 1.385 389 I HN 0.543 nan 8.210 nan 0.000 0.552 390 Q N 6.241 126.063 119.800 0.038 0.000 2.282 390 Q HA 0.455 4.793 4.340 -0.003 0.000 0.260 390 Q C -0.683 175.435 176.000 0.197 0.000 0.964 390 Q CA -0.576 55.257 55.803 0.050 0.000 0.880 390 Q CB 2.172 30.943 28.738 0.056 0.000 1.286 390 Q HN 0.589 nan 8.270 nan 0.000 0.445 391 H N 0.745 119.876 119.070 0.102 0.000 2.559 391 H HA 0.492 5.046 4.556 -0.003 0.000 0.343 391 H C -0.513 174.893 175.328 0.131 0.000 1.209 391 H CA -1.080 55.053 56.048 0.141 0.000 1.287 391 H CB 1.561 31.477 29.762 0.257 0.000 1.650 391 H HN 0.453 nan 8.280 nan 0.000 0.567 392 K N 0.283 120.849 120.400 0.277 0.000 2.468 392 K HA 0.510 4.828 4.320 -0.003 0.000 0.252 392 K C -1.230 175.510 176.600 0.233 0.000 0.932 392 K CA -0.873 55.536 56.287 0.203 0.000 0.794 392 K CB 2.541 35.121 32.500 0.133 0.000 1.241 392 K HN 0.340 nan 8.250 nan 0.000 0.428 393 S N 0.760 116.601 115.700 0.236 0.000 2.593 393 S HA 0.905 5.373 4.470 -0.003 0.000 0.297 393 S C -0.330 174.400 174.600 0.218 0.000 1.112 393 S CA 0.266 58.634 58.200 0.279 0.000 1.043 393 S CB 1.348 64.766 63.200 0.363 0.000 1.054 393 S HN 0.986 nan 8.310 nan 0.000 0.516 394 G N 2.403 111.293 108.800 0.149 0.000 2.392 394 G HA2 0.209 4.167 3.960 -0.003 0.000 0.260 394 G HA3 0.209 4.167 3.960 -0.003 0.000 0.260 394 G C 0.219 175.047 174.900 -0.120 0.000 1.226 394 G CA -0.359 44.735 45.100 -0.011 0.000 0.913 394 G HN 0.537 nan 8.290 nan 0.000 0.483 395 I N 0.013 120.497 120.570 -0.143 0.000 2.208 395 I HA -0.001 4.167 4.170 -0.003 0.000 0.245 395 I C 0.972 176.998 176.117 -0.150 0.000 1.097 395 I CA 1.552 62.701 61.300 -0.251 0.000 1.363 395 I CB -0.855 36.906 38.000 -0.399 0.000 1.051 395 I HN 0.046 nan 8.210 nan 0.000 0.413 396 V N 0.790 120.674 119.914 -0.050 0.000 2.531 396 V HA 0.306 4.424 4.120 -0.003 0.000 0.301 396 V C 0.110 176.228 176.094 0.041 0.000 1.034 396 V CA -0.565 61.728 62.300 -0.012 0.000 0.865 396 V CB 1.877 33.719 31.823 0.033 0.000 0.995 396 V HN 0.102 nan 8.190 nan 0.000 0.424 397 S N 2.263 118.000 115.700 0.062 0.000 2.672 397 S HA 0.905 5.373 4.470 -0.003 0.000 0.276 397 S C 0.414 175.172 174.600 0.263 0.000 1.207 397 S CA 0.088 58.388 58.200 0.167 0.000 1.002 397 S CB 1.790 65.083 63.200 0.155 0.000 0.998 397 S HN 1.168 nan 8.310 nan 0.000 0.542 398 G N -0.415 108.497 108.800 0.187 0.000 2.682 398 G HA2 0.565 4.523 3.960 -0.003 0.000 0.303 398 G HA3 0.565 4.523 3.960 -0.003 0.000 0.303 398 G C -1.867 172.812 174.900 -0.369 0.000 1.341 398 G CA -0.492 44.502 45.100 -0.177 0.000 0.784 398 G HN 0.621 nan 8.290 nan 0.000 0.497 399 V N 0.842 120.465 119.914 -0.485 0.000 2.448 399 V HA 0.287 4.404 4.120 -0.003 0.000 0.295 399 V C 0.969 177.016 176.094 -0.078 0.000 1.025 399 V CA -0.367 61.773 62.300 -0.267 0.000 0.859 399 V CB 1.321 32.919 31.823 -0.375 0.000 0.988 399 V HN 0.876 nan 8.190 nan 0.000 0.431 400 Q N 2.925 122.741 119.800 0.026 0.000 2.079 400 Q HA 0.157 4.495 4.340 -0.003 0.000 0.200 400 Q C 0.652 176.668 176.000 0.027 0.000 0.974 400 Q CA 1.542 57.364 55.803 0.032 0.000 0.840 400 Q CB 0.254 29.027 28.738 0.058 0.000 0.898 400 Q HN 0.900 nan 8.270 nan 0.000 0.430 401 A N 0.096 122.939 122.820 0.038 0.000 2.594 401 A HA 0.539 4.857 4.320 -0.003 0.000 0.296 401 A C -1.957 175.663 177.584 0.060 0.000 1.061 401 A CA -0.634 51.431 52.037 0.046 0.000 0.689 401 A CB 1.475 20.503 19.000 0.046 0.000 1.280 401 A HN 0.091 nan 8.150 nan 0.000 0.406 402 L N 3.165 124.439 121.223 0.085 0.000 2.481 402 L HA 0.487 4.825 4.340 -0.003 0.000 0.255 402 L C -2.612 174.335 176.870 0.129 0.000 1.192 402 L CA -1.490 53.408 54.840 0.097 0.000 0.924 402 L CB 1.703 43.822 42.059 0.101 0.000 1.179 402 L HN 0.465 nan 8.230 nan 0.000 0.491 403 P HA 0.249 nan 4.420 nan 0.000 0.282 403 P C -0.990 176.392 177.300 0.136 0.000 1.274 403 P CA 0.010 63.177 63.100 0.111 0.000 0.770 403 P CB 1.118 32.861 31.700 0.071 0.000 0.867 404 L N 3.885 125.228 121.223 0.200 0.000 2.333 404 L HA 0.717 5.055 4.340 -0.003 0.000 0.269 404 L C 0.443 177.470 176.870 0.262 0.000 1.010 404 L CA -1.213 53.805 54.840 0.296 0.000 0.818 404 L CB 2.250 44.562 42.059 0.421 0.000 1.306 404 L HN 0.226 nan 8.230 nan 0.000 0.430 405 V N -1.300 118.799 119.914 0.308 0.000 3.078 405 V HA 0.829 4.947 4.120 -0.003 0.000 0.311 405 V C -1.673 174.650 176.094 0.383 0.000 1.138 405 V CA -0.620 61.731 62.300 0.084 0.000 1.007 405 V CB 1.850 33.674 31.823 0.001 0.000 1.045 405 V HN 0.992 nan 8.190 nan 0.000 0.432 406 W N 0.428 121.791 121.300 0.106 0.000 3.057 406 W HA 0.715 5.373 4.660 -0.003 0.000 0.328 406 W C -1.906 174.646 176.519 0.056 0.000 1.232 406 W CA -0.634 56.774 57.345 0.105 0.000 1.187 406 W CB 0.810 30.362 29.460 0.153 0.000 1.417 406 W HN 0.702 nan 8.180 nan 0.000 0.569 407 D N 2.080 122.648 120.400 0.279 0.000 2.313 407 D HA 0.376 5.014 4.640 -0.003 0.000 0.239 407 D C -1.478 174.968 176.300 0.243 0.000 1.142 407 D CA -2.460 51.631 54.000 0.152 0.000 0.847 407 D CB 1.964 42.829 40.800 0.109 0.000 1.082 407 D HN 0.072 nan 8.370 nan 0.000 0.480 408 P HA -0.121 nan 4.420 nan 0.000 0.218 408 P C 0.868 178.242 177.300 0.123 0.000 1.146 408 P CA 1.153 64.370 63.100 0.195 0.000 0.813 408 P CB 0.209 31.966 31.700 0.096 0.000 0.778 409 A N -0.581 122.293 122.820 0.089 0.000 2.067 409 A HA -0.134 4.184 4.320 -0.003 0.000 0.219 409 A C 2.017 179.636 177.584 0.057 0.000 1.158 409 A CA 2.028 54.100 52.037 0.058 0.000 0.661 409 A CB -1.601 17.425 19.000 0.043 0.000 0.801 409 A HN 0.351 nan 8.150 nan 0.000 0.452 410 T N -2.579 112.024 114.554 0.082 0.000 3.107 410 T HA 0.165 4.513 4.350 -0.003 0.000 0.249 410 T C 0.831 175.553 174.700 0.037 0.000 1.096 410 T CA 0.670 62.807 62.100 0.062 0.000 1.012 410 T CB -0.804 68.113 68.868 0.082 0.000 0.977 410 T HN 0.508 nan 8.240 nan 0.000 0.527 411 T N -0.138 114.439 114.554 0.038 0.000 2.881 411 T HA 0.598 4.946 4.350 -0.003 0.000 0.278 411 T C -0.695 173.985 174.700 -0.033 0.000 0.982 411 T CA -0.919 61.165 62.100 -0.027 0.000 0.989 411 T CB 1.464 70.313 68.868 -0.032 0.000 1.058 411 T HN 0.230 nan 8.240 nan 0.000 0.529 412 K N 0.506 120.864 120.400 -0.071 0.000 2.471 412 K HA 0.612 4.930 4.320 -0.003 0.000 0.252 412 K C -1.105 175.453 176.600 -0.069 0.000 0.938 412 K CA -0.939 55.315 56.287 -0.055 0.000 0.796 412 K CB 2.275 34.745 32.500 -0.050 0.000 1.161 412 K HN 0.766 nan 8.250 nan 0.000 0.425 413 A N 3.425 126.218 122.820 -0.046 0.000 2.621 413 A HA 0.525 4.843 4.320 -0.003 0.000 0.329 413 A C -0.341 177.222 177.584 -0.035 0.000 1.458 413 A CA -0.358 51.652 52.037 -0.044 0.000 1.052 413 A CB -0.172 18.812 19.000 -0.027 0.000 1.142 413 A HN 0.402 nan 8.150 nan 0.000 0.523 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556