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 2qbm_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 RMCGLLLVTG 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 0.000 175.497 175.510 -0.021 0.000 1.280 10 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 10 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 11 L N 1.940 123.151 121.223 -0.020 0.000 2.275 11 L HA 0.560 4.892 4.340 -0.013 0.000 0.288 11 L C 0.763 177.639 176.870 0.009 0.000 1.046 11 L CA -0.470 54.360 54.840 -0.016 0.000 0.805 11 L CB 0.124 42.170 42.059 -0.022 0.000 1.193 11 L HN 0.654 nan 8.230 nan 0.000 0.426 12 A N 6.270 129.106 122.820 0.027 0.000 2.462 12 A HA 0.518 4.830 4.320 -0.013 0.000 0.243 12 A C -2.043 175.584 177.584 0.071 0.000 1.076 12 A CA -0.826 51.246 52.037 0.057 0.000 0.773 12 A CB -0.587 18.465 19.000 0.087 0.000 1.010 12 A HN 0.565 nan 8.150 nan 0.000 0.493 13 P HA 0.112 nan 4.420 nan 0.000 0.265 13 P C -0.344 176.969 177.300 0.021 0.000 1.193 13 P CA -0.207 62.909 63.100 0.026 0.000 0.765 13 P CB 0.270 31.979 31.700 0.015 0.000 0.823 14 L N 6.984 128.190 121.223 -0.030 0.000 2.477 14 L HA 0.216 4.548 4.340 -0.013 0.000 0.272 14 L C -2.082 174.648 176.870 -0.232 0.000 1.157 14 L CA -1.360 53.390 54.840 -0.150 0.000 0.889 14 L CB -0.692 41.265 42.059 -0.170 0.000 1.158 14 L HN 0.312 nan 8.230 nan 0.000 0.473 15 P HA 0.195 nan 4.420 nan 0.000 0.271 15 P C -2.141 174.973 177.300 -0.309 0.000 1.218 15 P CA -1.061 61.861 63.100 -0.296 0.000 0.780 15 P CB 0.124 31.618 31.700 -0.343 0.000 0.901 16 P HA -0.226 nan 4.420 nan 0.000 0.217 16 P C 1.217 178.481 177.300 -0.059 0.000 1.151 16 P CA 1.562 64.623 63.100 -0.065 0.000 0.849 16 P CB -0.443 31.262 31.700 0.009 0.000 0.787 17 H N -1.988 117.013 119.070 -0.116 0.000 2.555 17 H HA 0.099 4.647 4.556 -0.013 0.000 0.269 17 H C 0.000 175.287 175.328 -0.068 0.000 0.988 17 H CA 0.315 56.328 56.048 -0.059 0.000 1.178 17 H CB -0.784 28.975 29.762 -0.004 0.000 1.373 17 H HN -0.055 nan 8.280 nan 0.000 0.588 18 V N 4.205 123.755 119.914 -0.606 0.000 2.364 18 V HA 0.233 4.345 4.120 -0.013 0.000 0.272 18 V C -2.104 173.803 176.094 -0.311 0.000 1.036 18 V CA -1.755 60.208 62.300 -0.563 0.000 0.880 18 V CB 1.310 32.426 31.823 -1.179 0.000 0.991 18 V HN 0.181 nan 8.190 nan 0.000 0.460 19 P HA 0.179 nan 4.420 nan 0.000 0.271 19 P C 0.729 177.942 177.300 -0.145 0.000 1.216 19 P CA -0.195 62.846 63.100 -0.098 0.000 0.776 19 P CB 0.956 32.598 31.700 -0.097 0.000 0.881 20 E N 1.344 121.524 120.200 -0.033 0.000 2.204 20 E HA -0.228 4.114 4.350 -0.013 0.000 0.195 20 E C 1.486 178.103 176.600 0.028 0.000 0.990 20 E CA 0.639 57.031 56.400 -0.014 0.000 0.821 20 E CB -0.093 29.618 29.700 0.019 0.000 0.750 20 E HN 0.590 nan 8.360 nan 0.000 0.477 21 H N -0.576 118.513 119.070 0.031 0.000 2.559 21 H HA -0.021 4.527 4.556 -0.013 0.000 0.273 21 H C 1.529 176.909 175.328 0.086 0.000 1.000 21 H CA 0.541 56.620 56.048 0.051 0.000 1.195 21 H CB -0.014 29.772 29.762 0.040 0.000 1.368 21 H HN 0.249 nan 8.280 nan 0.000 0.592 22 L N 1.206 122.272 121.223 -0.262 0.000 2.640 22 L HA 0.186 4.518 4.340 -0.013 0.000 0.230 22 L C 0.250 177.172 176.870 0.087 0.000 1.123 22 L CA -0.193 54.596 54.840 -0.085 0.000 0.900 22 L CB 0.761 42.778 42.059 -0.071 0.000 1.146 22 L HN -0.014 nan 8.230 nan 0.000 0.484 23 V N 0.846 120.803 119.914 0.072 0.000 2.508 23 V HA 0.040 4.152 4.120 -0.013 0.000 0.281 23 V C -0.590 175.618 176.094 0.188 0.000 1.041 23 V CA 0.259 62.636 62.300 0.130 0.000 1.016 23 V CB 0.878 32.744 31.823 0.072 0.000 0.984 23 V HN 0.087 nan 8.190 nan 0.000 0.478 24 F N 3.810 123.765 119.950 0.009 0.000 2.831 24 F HA 0.396 4.915 4.527 -0.013 0.000 0.346 24 F C 0.084 175.866 175.800 -0.029 0.000 1.224 24 F CA -0.718 57.279 58.000 -0.004 0.000 1.048 24 F CB 1.431 40.429 39.000 -0.004 0.000 1.339 24 F HN 0.510 nan 8.300 nan 0.000 0.514 25 D N 6.545 126.776 120.400 -0.282 0.000 2.801 25 D HA 0.000 4.632 4.640 -0.013 0.000 0.232 25 D C -0.203 175.994 176.300 -0.171 0.000 1.128 25 D CA 0.319 54.203 54.000 -0.195 0.000 1.003 25 D CB -0.234 40.454 40.800 -0.187 0.000 1.110 25 D HN 0.276 nan 8.370 nan 0.000 0.477 26 F N 1.881 121.736 119.950 -0.159 0.000 2.504 26 F HA 0.065 4.584 4.527 -0.013 0.000 0.369 26 F C 0.564 176.245 175.800 -0.198 0.000 1.082 26 F CA -0.499 57.423 58.000 -0.129 0.000 1.216 26 F CB 0.731 39.729 39.000 -0.004 0.000 1.108 26 F HN -0.123 nan 8.300 nan 0.000 0.554 27 D N 7.408 127.319 120.400 -0.815 0.000 2.443 27 D HA 0.094 4.726 4.640 -0.013 0.000 0.221 27 D C 0.962 176.745 176.300 -0.861 0.000 1.097 27 D CA -0.457 53.195 54.000 -0.580 0.000 0.865 27 D CB 0.832 41.423 40.800 -0.349 0.000 1.034 27 D HN 0.734 nan 8.370 nan 0.000 0.511 28 M N 1.901 121.151 119.600 -0.583 0.000 2.446 28 M HA -0.108 4.364 4.480 -0.013 0.000 0.263 28 M C 0.282 176.345 176.300 -0.396 0.000 1.066 28 M CA 1.264 56.246 55.300 -0.531 0.000 1.087 28 M CB -0.250 32.217 32.600 -0.222 0.000 1.406 28 M HN 0.228 nan 8.290 nan 0.000 0.459 29 Y N 0.165 120.401 120.300 -0.107 0.000 2.462 29 Y HA 0.246 4.788 4.550 -0.014 0.000 0.261 29 Y C 0.425 176.294 175.900 -0.052 0.000 1.146 29 Y CA -0.217 57.867 58.100 -0.027 0.000 1.283 29 Y CB 0.462 38.912 38.460 -0.017 0.000 1.090 29 Y HN 0.437 nan 8.280 nan 0.000 0.526 30 N N 0.162 118.835 118.700 -0.044 0.000 2.926 30 N HA 0.115 4.847 4.740 -0.013 0.000 0.201 30 N C -3.330 172.047 175.510 -0.221 0.000 1.419 30 N CA -1.384 51.626 53.050 -0.068 0.000 0.838 30 N CB 0.717 39.189 38.487 -0.026 0.000 1.534 30 N HN -0.223 nan 8.380 nan 0.000 0.569 31 P HA 0.123 nan 4.420 nan 0.000 0.271 31 P C 0.842 178.018 177.300 -0.206 0.000 1.218 31 P CA -0.083 62.716 63.100 -0.501 0.000 0.780 31 P CB 1.184 32.566 31.700 -0.530 0.000 0.901 32 S N 1.276 116.872 115.700 -0.174 0.000 2.419 32 S HA -0.172 4.290 4.470 -0.013 0.000 0.233 32 S C 1.286 175.876 174.600 -0.016 0.000 1.016 32 S CA 0.952 59.104 58.200 -0.081 0.000 0.974 32 S CB -0.895 62.259 63.200 -0.078 0.000 0.786 32 S HN 0.651 nan 8.310 nan 0.000 0.492 33 N N 0.306 119.021 118.700 0.024 0.000 2.295 33 N HA 0.131 4.863 4.740 -0.013 0.000 0.221 33 N C 1.134 176.691 175.510 0.078 0.000 1.129 33 N CA -0.100 52.986 53.050 0.059 0.000 0.836 33 N CB -0.054 38.488 38.487 0.091 0.000 1.040 33 N HN 0.258 nan 8.380 nan 0.000 0.494 34 L N 1.156 122.419 121.223 0.067 0.000 2.127 34 L HA -0.171 4.161 4.340 -0.013 0.000 0.211 34 L C 2.400 179.318 176.870 0.080 0.000 1.089 34 L CA 1.738 56.641 54.840 0.105 0.000 0.757 34 L CB -0.809 41.303 42.059 0.089 0.000 0.899 34 L HN 0.267 nan 8.230 nan 0.000 0.434 35 S N -0.901 114.825 115.700 0.044 0.000 2.419 35 S HA -0.117 4.345 4.470 -0.013 0.000 0.233 35 S C 1.943 176.548 174.600 0.008 0.000 1.016 35 S CA 0.774 58.983 58.200 0.016 0.000 0.974 35 S CB -0.816 62.392 63.200 0.013 0.000 0.786 35 S HN 0.478 nan 8.310 nan 0.000 0.492 36 A N 1.025 123.869 122.820 0.041 0.000 2.238 36 A HA 0.567 4.879 4.320 -0.013 0.000 0.208 36 A C 1.198 178.823 177.584 0.069 0.000 1.177 36 A CA 0.398 52.465 52.037 0.050 0.000 0.804 36 A CB -0.916 18.124 19.000 0.066 0.000 0.823 36 A HN 1.655 nan 8.150 nan 0.000 0.482 37 G N -2.408 106.436 108.800 0.073 0.000 2.592 37 G HA2 0.094 4.047 3.960 -0.013 0.000 0.685 37 G HA3 0.094 4.047 3.960 -0.013 0.000 0.685 37 G C 0.396 175.518 174.900 0.369 0.000 1.278 37 G CA -0.178 45.030 45.100 0.181 0.000 0.822 37 G HN 0.845 nan 8.290 nan 0.000 0.652 38 V N 1.385 121.692 119.914 0.655 0.000 2.343 38 V HA -0.161 3.951 4.120 -0.013 0.000 0.247 38 V C 2.710 179.027 176.094 0.373 0.000 1.051 38 V CA 3.363 65.948 62.300 0.474 0.000 1.036 38 V CB -0.389 31.701 31.823 0.446 0.000 0.654 38 V HN 0.818 nan 8.190 nan 0.000 0.451 39 Q N -0.010 119.889 119.800 0.165 0.000 2.084 39 Q HA -0.233 4.099 4.340 -0.013 0.000 0.202 39 Q C 2.092 178.179 176.000 0.146 0.000 0.978 39 Q CA 2.321 58.155 55.803 0.050 0.000 0.844 39 Q CB -0.324 28.343 28.738 -0.118 0.000 0.898 39 Q HN 0.706 nan 8.270 nan 0.000 0.426 40 E N 0.201 120.494 120.200 0.154 0.000 2.077 40 E HA -0.167 4.175 4.350 -0.013 0.000 0.193 40 E C 1.830 178.540 176.600 0.183 0.000 0.989 40 E CA 1.279 57.761 56.400 0.137 0.000 0.800 40 E CB -0.367 29.407 29.700 0.123 0.000 0.746 40 E HN 0.417 nan 8.360 nan 0.000 0.452 41 A N -0.048 122.924 122.820 0.254 0.000 1.902 41 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 41 A C 1.787 179.572 177.584 0.334 0.000 1.181 41 A CA 1.325 53.522 52.037 0.267 0.000 0.623 41 A CB -0.993 18.159 19.000 0.253 0.000 0.818 41 A HN 0.368 nan 8.150 nan 0.000 0.443 42 W N -0.312 121.105 121.300 0.194 0.000 2.402 42 W HA 0.086 4.739 4.660 -0.012 0.000 0.286 42 W C 2.599 179.061 176.519 -0.095 0.000 1.221 42 W CA 1.114 58.496 57.345 0.061 0.000 1.257 42 W CB -0.309 29.156 29.460 0.009 0.000 1.120 42 W HN 0.360 nan 8.180 nan 0.000 0.551 43 A N 0.434 123.355 122.820 0.169 0.000 2.172 43 A HA -0.092 4.220 4.320 -0.013 0.000 0.216 43 A C 1.996 179.580 177.584 0.000 0.000 1.154 43 A CA 1.646 53.709 52.037 0.044 0.000 0.701 43 A CB -1.212 17.807 19.000 0.032 0.000 0.789 43 A HN 0.273 nan 8.150 nan 0.000 0.465 44 V N -2.171 117.766 119.914 0.038 0.000 2.594 44 V HA -0.187 3.925 4.120 -0.013 0.000 0.253 44 V C 1.945 177.966 176.094 -0.122 0.000 1.069 44 V CA 1.931 64.254 62.300 0.038 0.000 1.082 44 V CB -0.938 30.990 31.823 0.175 0.000 0.680 44 V HN 0.456 nan 8.190 nan 0.000 0.469 45 L N -0.229 120.836 121.223 -0.264 0.000 2.549 45 L HA -0.027 4.305 4.340 -0.013 0.000 0.229 45 L C 2.382 179.056 176.870 -0.327 0.000 1.158 45 L CA 1.258 55.815 54.840 -0.472 0.000 0.842 45 L CB -0.444 41.307 42.059 -0.513 0.000 0.952 45 L HN 0.446 nan 8.230 nan 0.000 0.452 46 Q N -0.759 118.924 119.800 -0.195 0.000 2.172 46 Q HA 0.154 4.486 4.340 -0.013 0.000 0.217 46 Q C -0.113 175.827 176.000 -0.101 0.000 0.832 46 Q CA -0.177 55.543 55.803 -0.138 0.000 1.010 46 Q CB 0.732 29.411 28.738 -0.099 0.000 1.133 46 Q HN 0.439 nan 8.270 nan 0.000 0.489 47 E N 0.542 120.679 120.200 -0.104 0.000 2.392 47 E HA 0.003 4.345 4.350 -0.013 0.000 0.259 47 E C 0.899 177.466 176.600 -0.055 0.000 1.108 47 E CA 0.210 56.577 56.400 -0.055 0.000 0.916 47 E CB 0.851 30.540 29.700 -0.019 0.000 0.989 47 E HN 0.182 nan 8.360 nan 0.000 0.432 48 S N 1.432 117.116 115.700 -0.028 0.000 2.419 48 S HA -0.255 4.207 4.470 -0.013 0.000 0.235 48 S C 1.274 175.863 174.600 -0.018 0.000 1.019 48 S CA 1.730 59.916 58.200 -0.024 0.000 0.982 48 S CB -0.575 62.618 63.200 -0.012 0.000 0.789 48 S HN 0.676 nan 8.310 nan 0.000 0.490 49 N N 0.531 119.227 118.700 -0.007 0.000 2.467 49 N HA 0.081 4.813 4.740 -0.013 0.000 0.184 49 N C -0.237 175.271 175.510 -0.002 0.000 1.106 49 N CA 0.161 53.219 53.050 0.014 0.000 0.892 49 N CB -0.018 38.499 38.487 0.050 0.000 0.969 49 N HN 0.282 nan 8.380 nan 0.000 0.454 50 V N 1.643 121.515 119.914 -0.069 0.000 2.394 50 V HA 0.373 4.485 4.120 -0.013 0.000 0.282 50 V C -1.961 174.065 176.094 -0.114 0.000 1.031 50 V CA -1.830 60.380 62.300 -0.151 0.000 0.881 50 V CB 1.046 32.645 31.823 -0.373 0.000 0.982 50 V HN 0.080 nan 8.190 nan 0.000 0.451 51 P HA 0.185 nan 4.420 nan 0.000 0.271 51 P C 0.320 177.575 177.300 -0.075 0.000 1.233 51 P CA -0.317 62.762 63.100 -0.035 0.000 0.789 51 P CB 0.662 32.379 31.700 0.028 0.000 0.951 52 D N -0.451 119.906 120.400 -0.071 0.000 2.218 52 D HA -0.041 4.591 4.640 -0.013 0.000 0.204 52 D C 0.382 176.625 176.300 -0.094 0.000 0.976 52 D CA 1.384 55.318 54.000 -0.111 0.000 0.853 52 D CB 0.033 40.744 40.800 -0.149 0.000 0.939 52 D HN 0.153 nan 8.370 nan 0.000 0.481 53 L N 0.632 121.836 121.223 -0.031 0.000 2.482 53 L HA 0.322 4.654 4.340 -0.013 0.000 0.269 53 L C -0.985 175.996 176.870 0.184 0.000 0.967 53 L CA -0.683 54.191 54.840 0.057 0.000 0.851 53 L CB 1.978 44.041 42.059 0.007 0.000 1.242 53 L HN -0.228 nan 8.230 nan 0.000 0.404 54 V N 0.833 120.898 119.914 0.252 0.000 3.074 54 V HA 0.651 4.763 4.120 -0.013 0.000 0.314 54 V C -1.264 175.068 176.094 0.397 0.000 1.117 54 V CA -0.734 61.736 62.300 0.283 0.000 1.014 54 V CB 2.450 34.338 31.823 0.109 0.000 1.057 54 V HN 0.848 nan 8.190 nan 0.000 0.438 55 W N 2.062 123.352 121.300 -0.016 0.000 2.475 55 W HA 0.642 5.294 4.660 -0.013 0.000 0.317 55 W C -0.864 175.508 176.519 -0.245 0.000 1.046 55 W CA -0.223 56.904 57.345 -0.363 0.000 1.215 55 W CB 1.924 30.946 29.460 -0.729 0.000 1.335 55 W HN 0.879 nan 8.180 nan 0.000 0.471 56 T N 5.306 119.377 114.554 -0.805 0.000 2.824 56 T HA 0.360 4.702 4.350 -0.013 0.000 0.280 56 T C 1.018 175.240 174.700 -0.796 0.000 0.995 56 T CA -0.433 61.308 62.100 -0.599 0.000 1.009 56 T CB 1.076 69.653 68.868 -0.485 0.000 0.955 56 T HN 0.627 nan 8.240 nan 0.000 0.452 57 R N 2.101 122.426 120.500 -0.292 0.000 2.313 57 R HA 0.169 4.501 4.340 -0.013 0.000 0.199 57 R C 0.637 176.852 176.300 -0.141 0.000 0.958 57 R CA -0.156 55.872 56.100 -0.120 0.000 1.047 57 R CB -0.371 29.951 30.300 0.038 0.000 0.955 57 R HN 0.548 nan 8.270 nan 0.000 0.481 58 C N 1.486 120.668 119.300 -0.196 0.000 2.689 58 C HA 0.088 4.540 4.460 -0.013 0.000 0.409 58 C C 0.898 175.863 174.990 -0.042 0.000 1.293 58 C CA -0.389 58.563 59.018 -0.111 0.000 2.136 58 C CB -0.157 27.514 27.740 -0.116 0.000 2.719 58 C HN 0.684 nan 8.230 nan 0.000 0.644 59 N N 0.496 119.214 118.700 0.031 0.000 2.735 59 N HA -0.147 4.585 4.740 -0.013 0.000 0.248 59 N C 0.722 176.284 175.510 0.087 0.000 1.083 59 N CA 0.991 54.099 53.050 0.098 0.000 0.703 59 N CB -1.196 37.413 38.487 0.205 0.000 1.005 59 N HN 1.385 nan 8.380 nan 0.000 0.550 60 G N -1.916 106.912 108.800 0.046 0.000 2.241 60 G HA2 0.118 4.070 3.960 -0.013 0.000 0.244 60 G HA3 0.118 4.070 3.960 -0.013 0.000 0.244 60 G C 0.558 175.484 174.900 0.045 0.000 0.998 60 G CA 0.349 45.482 45.100 0.055 0.000 0.621 60 G HN 1.618 nan 8.290 nan 0.000 0.519 61 G N -0.712 108.041 108.800 -0.079 0.000 3.209 61 G HA2 0.582 4.534 3.960 -0.013 0.000 0.686 61 G HA3 0.582 4.534 3.960 -0.013 0.000 0.686 61 G C -0.561 173.845 174.900 -0.824 0.000 1.065 61 G CA 0.610 45.458 45.100 -0.420 0.000 0.812 61 G HN 2.868 nan 8.290 nan 0.000 0.573 62 H N -1.732 116.266 119.070 -1.786 0.000 3.005 62 H HA 0.612 5.160 4.556 -0.013 0.000 0.311 62 H C -0.631 174.029 175.328 -1.113 0.000 1.366 62 H CA -1.570 53.752 56.048 -1.209 0.000 1.210 62 H CB 0.071 29.585 29.762 -0.413 0.000 1.894 62 H HN 0.685 nan 8.280 nan 0.000 0.520 63 W N 1.236 122.448 121.300 -0.147 0.000 2.161 63 W HA 0.577 5.229 4.660 -0.013 0.000 0.344 63 W C -0.191 176.377 176.519 0.082 0.000 1.262 63 W CA -0.484 56.900 57.345 0.065 0.000 1.270 63 W CB 0.735 30.338 29.460 0.238 0.000 1.126 63 W HN 0.451 nan 8.180 nan 0.000 0.598 64 I N 2.467 123.230 120.570 0.321 0.000 2.512 64 I HA 0.376 4.538 4.170 -0.013 0.000 0.287 64 I C -0.242 175.944 176.117 0.114 0.000 1.069 64 I CA -1.196 60.211 61.300 0.177 0.000 1.056 64 I CB 1.406 39.436 38.000 0.050 0.000 1.229 64 I HN 0.430 nan 8.210 nan 0.000 0.429 65 A N 3.234 126.084 122.820 0.050 0.000 2.366 65 A HA 0.510 4.822 4.320 -0.013 0.000 0.272 65 A C 0.903 178.449 177.584 -0.063 0.000 1.135 65 A CA -0.072 51.951 52.037 -0.023 0.000 0.804 65 A CB 0.237 19.194 19.000 -0.073 0.000 1.064 65 A HN 0.863 nan 8.150 nan 0.000 0.499 66 T N -0.369 114.125 114.554 -0.099 0.000 3.054 66 T HA 0.286 4.628 4.350 -0.013 0.000 0.255 66 T C 0.523 175.152 174.700 -0.118 0.000 1.035 66 T CA -0.158 61.866 62.100 -0.127 0.000 0.941 66 T CB 0.071 68.831 68.868 -0.181 0.000 1.026 66 T HN 0.523 nan 8.240 nan 0.000 0.533 67 R N 0.054 120.481 120.500 -0.121 0.000 2.744 67 R HA 0.595 4.927 4.340 -0.013 0.000 0.279 67 R C 1.331 177.562 176.300 -0.115 0.000 0.977 67 R CA -0.382 55.647 56.100 -0.118 0.000 0.906 67 R CB 1.269 31.489 30.300 -0.133 0.000 1.197 67 R HN 0.193 nan 8.270 nan 0.000 0.463 68 G N 0.838 109.579 108.800 -0.098 0.000 2.432 68 G HA2 -0.299 3.653 3.960 -0.013 0.000 0.219 68 G HA3 -0.299 3.653 3.960 -0.013 0.000 0.219 68 G C 1.020 175.855 174.900 -0.108 0.000 1.135 68 G CA 0.624 45.667 45.100 -0.095 0.000 0.767 68 G HN 0.620 nan 8.290 nan 0.000 0.550 69 Q N -0.129 119.608 119.800 -0.106 0.000 2.050 69 Q HA -0.047 4.285 4.340 -0.013 0.000 0.202 69 Q C 2.497 178.433 176.000 -0.107 0.000 0.980 69 Q CA 1.037 56.785 55.803 -0.092 0.000 0.840 69 Q CB -0.214 28.479 28.738 -0.075 0.000 0.898 69 Q HN 0.485 nan 8.270 nan 0.000 0.424 70 L N 0.170 121.271 121.223 -0.202 0.000 2.109 70 L HA -0.131 4.201 4.340 -0.013 0.000 0.207 70 L C 2.465 179.296 176.870 -0.065 0.000 1.086 70 L CA 0.772 55.494 54.840 -0.196 0.000 0.760 70 L CB -0.588 41.268 42.059 -0.338 0.000 0.910 70 L HN 0.312 nan 8.230 nan 0.000 0.437 71 I N 0.140 120.639 120.570 -0.118 0.000 2.179 71 I HA -0.283 3.879 4.170 -0.013 0.000 0.242 71 I C 2.880 178.953 176.117 -0.073 0.000 1.088 71 I CA 1.347 62.561 61.300 -0.142 0.000 1.357 71 I CB -0.287 37.675 38.000 -0.063 0.000 1.051 71 I HN 0.197 nan 8.210 nan 0.000 0.409 72 R N 0.683 121.130 120.500 -0.088 0.000 2.080 72 R HA -0.193 4.139 4.340 -0.013 0.000 0.236 72 R C 2.237 178.601 176.300 0.107 0.000 1.137 72 R CA 1.669 57.663 56.100 -0.177 0.000 0.943 72 R CB -0.440 29.605 30.300 -0.425 0.000 0.846 72 R HN 0.418 nan 8.270 nan 0.000 0.431 73 E N 0.379 120.645 120.200 0.110 0.000 2.085 73 E HA -0.222 4.120 4.350 -0.013 0.000 0.194 73 E C 2.051 178.759 176.600 0.180 0.000 0.994 73 E CA 1.341 57.883 56.400 0.237 0.000 0.801 73 E CB -0.126 29.798 29.700 0.373 0.000 0.743 73 E HN 0.409 nan 8.360 nan 0.000 0.453 74 A N 0.337 123.098 122.820 -0.098 0.000 1.898 74 A HA -0.163 4.149 4.320 -0.013 0.000 0.216 74 A C 1.785 179.206 177.584 -0.272 0.000 1.181 74 A CA 1.083 52.721 52.037 -0.664 0.000 0.620 74 A CB -0.627 17.546 19.000 -1.378 0.000 0.819 74 A HN 0.243 nan 8.150 nan 0.000 0.442 75 Y N 0.533 120.835 120.300 0.003 0.000 2.293 75 Y HA -0.119 4.424 4.550 -0.012 0.000 0.291 75 Y C 2.356 178.401 175.900 0.241 0.000 1.137 75 Y CA 1.336 59.527 58.100 0.151 0.000 1.202 75 Y CB -0.426 38.163 38.460 0.216 0.000 0.990 75 Y HN 0.485 nan 8.280 nan 0.000 0.537 76 E N -0.700 119.745 120.200 0.409 0.000 2.107 76 E HA -0.158 4.184 4.350 -0.013 0.000 0.191 76 E C 0.530 177.279 176.600 0.248 0.000 0.982 76 E CA 1.051 57.637 56.400 0.310 0.000 0.809 76 E CB -0.026 29.841 29.700 0.278 0.000 0.756 76 E HN 0.130 nan 8.360 nan 0.000 0.459 77 D N 0.211 120.756 120.400 0.241 0.000 2.558 77 D HA -0.027 4.605 4.640 -0.013 0.000 0.221 77 D C 0.358 176.744 176.300 0.144 0.000 1.143 77 D CA -0.329 53.752 54.000 0.135 0.000 1.010 77 D CB -0.152 40.816 40.800 0.279 0.000 1.068 77 D HN 0.206 nan 8.370 nan 0.000 0.511 78 Y N 0.980 121.376 120.300 0.161 0.000 2.497 78 Y HA 0.041 4.584 4.550 -0.012 0.000 0.292 78 Y C 1.821 177.731 175.900 0.017 0.000 1.137 78 Y CA 0.283 58.462 58.100 0.132 0.000 1.285 78 Y CB -0.269 38.277 38.460 0.144 0.000 0.991 78 Y HN 0.030 nan 8.280 nan 0.000 0.556 79 R N 0.423 120.698 120.500 -0.375 0.000 2.073 79 R HA -0.123 4.209 4.340 -0.013 0.000 0.234 79 R C 1.649 177.696 176.300 -0.421 0.000 1.134 79 R CA 2.104 57.979 56.100 -0.375 0.000 0.952 79 R CB -0.887 29.070 30.300 -0.572 0.000 0.850 79 R HN 0.591 nan 8.270 nan 0.000 0.433 80 H N -1.802 117.008 119.070 -0.434 0.000 2.465 80 H HA 0.110 4.659 4.556 -0.013 0.000 0.289 80 H C -0.126 174.769 175.328 -0.722 0.000 1.022 80 H CA 0.301 55.904 56.048 -0.743 0.000 1.340 80 H CB 0.263 29.195 29.762 -1.384 0.000 1.437 80 H HN -0.027 nan 8.280 nan 0.000 0.539 81 F N 0.941 120.873 119.950 -0.030 0.000 2.311 81 F HA 0.292 4.811 4.527 -0.014 0.000 0.371 81 F C 0.211 176.039 175.800 0.046 0.000 1.083 81 F CA -0.716 57.270 58.000 -0.022 0.000 1.113 81 F CB 1.214 40.158 39.000 -0.094 0.000 1.349 81 F HN -0.114 nan 8.300 nan 0.000 0.470 82 S N 0.997 116.797 115.700 0.167 0.000 2.562 82 S HA 0.249 4.711 4.470 -0.013 0.000 0.275 82 S C 1.056 175.727 174.600 0.118 0.000 1.281 82 S CA -0.510 57.777 58.200 0.145 0.000 1.045 82 S CB 1.086 64.340 63.200 0.090 0.000 0.962 82 S HN 0.520 nan 8.310 nan 0.000 0.503 83 S N 2.774 118.532 115.700 0.098 0.000 2.650 83 S HA 0.016 4.478 4.470 -0.013 0.000 0.219 83 S C 1.526 176.126 174.600 0.000 0.000 0.960 83 S CA 0.241 58.442 58.200 0.000 0.000 0.925 83 S CB -0.241 62.889 63.200 -0.117 0.000 0.775 83 S HN 0.879 nan 8.310 nan 0.000 0.525 84 E N 0.277 120.501 120.200 0.040 0.000 2.153 84 E HA -0.156 4.186 4.350 -0.013 0.000 0.194 84 E C 0.463 177.068 176.600 0.009 0.000 0.988 84 E CA 0.822 57.246 56.400 0.039 0.000 0.811 84 E CB 0.091 29.819 29.700 0.047 0.000 0.746 84 E HN 0.409 nan 8.360 nan 0.000 0.466 85 C N 1.544 120.838 119.300 -0.011 0.000 3.328 85 C HA 0.454 4.906 4.460 -0.013 0.000 0.230 85 C C -2.137 172.815 174.990 -0.064 0.000 1.232 85 C CA -1.498 57.497 59.018 -0.037 0.000 1.431 85 C CB 0.961 28.706 27.740 0.009 0.000 1.818 85 C HN 0.310 nan 8.230 nan 0.000 0.484 86 P HA 0.167 nan 4.420 nan 0.000 0.257 86 P C 0.065 177.412 177.300 0.078 0.000 1.241 86 P CA 0.354 63.381 63.100 -0.122 0.000 0.816 86 P CB 0.152 31.668 31.700 -0.306 0.000 1.150 87 F N -0.077 119.669 119.950 -0.340 0.000 2.492 87 F HA 0.460 4.979 4.527 -0.014 0.000 0.327 87 F C 0.794 176.491 175.800 -0.171 0.000 1.079 87 F CA -1.506 56.343 58.000 -0.251 0.000 0.967 87 F CB 1.901 40.711 39.000 -0.317 0.000 1.169 87 F HN -0.405 nan 8.300 nan 0.000 0.472 88 I N 4.561 125.117 120.570 -0.023 0.000 2.392 88 I HA 0.296 4.458 4.170 -0.013 0.000 0.295 88 I C -2.022 174.176 176.117 0.135 0.000 0.985 88 I CA -2.015 59.258 61.300 -0.047 0.000 1.221 88 I CB 1.771 39.584 38.000 -0.313 0.000 1.366 88 I HN 0.297 nan 8.210 nan 0.000 0.467 89 P HA 0.150 nan 4.420 nan 0.000 0.276 89 P C 0.319 177.642 177.300 0.039 0.000 1.261 89 P CA -0.471 62.667 63.100 0.065 0.000 0.800 89 P CB 0.910 32.648 31.700 0.062 0.000 1.066 90 R N 0.829 121.351 120.500 0.037 0.000 2.103 90 R HA -0.192 4.140 4.340 -0.013 0.000 0.242 90 R C 2.143 178.456 176.300 0.022 0.000 1.142 90 R CA 2.119 58.239 56.100 0.034 0.000 0.960 90 R CB -0.332 30.000 30.300 0.054 0.000 0.858 90 R HN 0.565 nan 8.270 nan 0.000 0.439 91 E N 0.229 120.449 120.200 0.032 0.000 2.110 91 E HA -0.196 4.146 4.350 -0.013 0.000 0.193 91 E C 1.749 178.362 176.600 0.022 0.000 0.988 91 E CA 1.380 57.802 56.400 0.036 0.000 0.804 91 E CB -0.373 29.358 29.700 0.051 0.000 0.745 91 E HN 0.446 nan 8.360 nan 0.000 0.458 92 A N 1.986 124.803 122.820 -0.005 0.000 1.877 92 A HA -0.013 4.299 4.320 -0.013 0.000 0.216 92 A C 2.625 179.967 177.584 -0.403 0.000 1.186 92 A CA 1.961 53.879 52.037 -0.199 0.000 0.620 92 A CB -1.358 17.605 19.000 -0.061 0.000 0.822 92 A HN 0.424 nan 8.150 nan 0.000 0.443 93 G N -0.547 108.153 108.800 -0.167 0.000 2.422 93 G HA2 -0.205 3.747 3.960 -0.013 0.000 0.218 93 G HA3 -0.205 3.747 3.960 -0.013 0.000 0.218 93 G C 1.432 176.271 174.900 -0.102 0.000 1.146 93 G CA 1.029 46.038 45.100 -0.152 0.000 0.769 93 G HN 0.663 nan 8.290 nan 0.000 0.547 94 E N 0.486 120.656 120.200 -0.049 0.000 2.047 94 E HA -0.017 4.325 4.350 -0.013 0.000 0.191 94 E C 2.899 179.499 176.600 0.000 0.000 0.987 94 E CA 0.768 57.163 56.400 -0.008 0.000 0.799 94 E CB -0.186 29.523 29.700 0.016 0.000 0.752 94 E HN 0.401 nan 8.360 nan 0.000 0.449 95 A N 0.852 123.675 122.820 0.006 0.000 2.067 95 A HA -0.151 4.161 4.320 -0.013 0.000 0.219 95 A C 0.807 178.423 177.584 0.053 0.000 1.158 95 A CA 0.443 52.524 52.037 0.074 0.000 0.661 95 A CB -0.498 18.641 19.000 0.232 0.000 0.801 95 A HN 0.315 nan 8.150 nan 0.000 0.452 96 Y N 2.133 122.279 120.300 -0.257 0.000 2.537 96 Y HA 0.269 4.811 4.550 -0.014 0.000 0.339 96 Y C 0.316 176.056 175.900 -0.266 0.000 1.066 96 Y CA -0.392 57.472 58.100 -0.392 0.000 1.357 96 Y CB 0.528 38.551 38.460 -0.727 0.000 1.175 96 Y HN 0.424 nan 8.280 nan 0.000 0.525 97 D N 4.129 124.243 120.400 -0.476 0.000 2.636 97 D HA 0.024 4.656 4.640 -0.013 0.000 0.270 97 D C -0.677 175.514 176.300 -0.183 0.000 1.430 97 D CA -0.315 53.572 54.000 -0.189 0.000 0.796 97 D CB -0.949 39.798 40.800 -0.088 0.000 1.117 97 D HN 0.173 nan 8.370 nan 0.000 0.480 98 F N 1.194 120.967 119.950 -0.295 0.000 2.545 98 F HA 0.318 4.837 4.527 -0.013 0.000 0.348 98 F C 1.180 176.953 175.800 -0.047 0.000 1.163 98 F CA -0.388 57.500 58.000 -0.186 0.000 1.331 98 F CB 0.501 39.297 39.000 -0.340 0.000 1.138 98 F HN -0.123 nan 8.300 nan 0.000 0.602 99 I N 4.235 124.897 120.570 0.153 0.000 2.474 99 I HA 0.239 4.402 4.170 -0.013 0.000 0.294 99 I C -1.791 174.360 176.117 0.057 0.000 1.005 99 I CA -1.807 59.482 61.300 -0.018 0.000 1.113 99 I CB 2.406 40.225 38.000 -0.302 0.000 1.289 99 I HN 0.354 nan 8.210 nan 0.000 0.436 100 P HA 0.073 nan 4.420 nan 0.000 0.255 100 P C 1.042 178.499 177.300 0.262 0.000 1.248 100 P CA 0.401 63.571 63.100 0.115 0.000 0.807 100 P CB 0.155 31.940 31.700 0.141 0.000 1.150 101 T N -0.524 114.219 114.554 0.315 0.000 2.915 101 T HA -0.094 4.248 4.350 -0.013 0.000 0.269 101 T C 1.689 176.541 174.700 0.253 0.000 1.071 101 T CA 1.849 64.159 62.100 0.349 0.000 1.132 101 T CB -0.556 68.536 68.868 0.373 0.000 0.878 101 T HN 0.275 nan 8.240 nan 0.000 0.479 102 S N -0.091 115.797 115.700 0.313 0.000 2.593 102 S HA 0.306 4.768 4.470 -0.013 0.000 0.217 102 S C 0.483 175.167 174.600 0.141 0.000 0.966 102 S CA -0.285 58.044 58.200 0.216 0.000 0.914 102 S CB -0.447 62.910 63.200 0.262 0.000 0.776 102 S HN 0.333 nan 8.310 nan 0.000 0.523 103 M N 2.002 121.715 119.600 0.188 0.000 2.537 103 M HA 0.475 4.947 4.480 -0.013 0.000 0.324 103 M C -0.933 175.506 176.300 0.231 0.000 1.187 103 M CA -0.652 54.746 55.300 0.163 0.000 0.993 103 M CB 1.428 34.100 32.600 0.121 0.000 1.666 103 M HN 0.026 nan 8.290 nan 0.000 0.461 104 D N 2.058 122.546 120.400 0.145 0.000 2.268 104 D HA 0.450 5.082 4.640 -0.013 0.000 0.249 104 D C -2.419 173.834 176.300 -0.078 0.000 1.008 104 D CA -1.262 52.793 54.000 0.091 0.000 0.939 104 D CB 1.017 41.885 40.800 0.114 0.000 1.170 104 D HN 0.165 nan 8.370 nan 0.000 0.468 105 P HA 0.064 nan 4.420 nan 0.000 0.268 105 P C -1.680 175.502 177.300 -0.197 0.000 1.208 105 P CA -0.757 62.106 63.100 -0.395 0.000 0.777 105 P CB 0.170 31.390 31.700 -0.800 0.000 0.875 106 P HA -0.112 nan 4.420 nan 0.000 0.224 106 P C 1.249 178.529 177.300 -0.033 0.000 1.157 106 P CA 1.116 64.180 63.100 -0.059 0.000 0.799 106 P CB -0.003 31.692 31.700 -0.009 0.000 0.809 107 E N 0.840 121.050 120.200 0.016 0.000 2.160 107 E HA -0.253 4.089 4.350 -0.013 0.000 0.195 107 E C 2.198 178.896 176.600 0.164 0.000 0.991 107 E CA 0.811 57.263 56.400 0.087 0.000 0.810 107 E CB -0.440 29.335 29.700 0.127 0.000 0.742 107 E HN 0.192 nan 8.360 nan 0.000 0.466 108 Q N 0.777 120.638 119.800 0.102 0.000 2.135 108 Q HA -0.212 4.120 4.340 -0.013 0.000 0.204 108 Q C 2.194 178.260 176.000 0.111 0.000 0.981 108 Q CA 1.432 57.314 55.803 0.132 0.000 0.856 108 Q CB -0.015 28.697 28.738 -0.044 0.000 0.902 108 Q HN 0.352 nan 8.270 nan 0.000 0.425 109 R N 0.383 120.875 120.500 -0.012 0.000 2.081 109 R HA -0.190 4.142 4.340 -0.013 0.000 0.235 109 R C 2.533 178.798 176.300 -0.058 0.000 1.131 109 R CA 1.772 57.839 56.100 -0.055 0.000 0.960 109 R CB -0.487 29.765 30.300 -0.081 0.000 0.856 109 R HN 0.575 nan 8.270 nan 0.000 0.436 110 Q N 0.151 119.876 119.800 -0.126 0.000 2.135 110 Q HA -0.170 4.162 4.340 -0.013 0.000 0.204 110 Q C 1.699 177.527 176.000 -0.287 0.000 0.981 110 Q CA 1.678 57.327 55.803 -0.258 0.000 0.856 110 Q CB -0.489 28.004 28.738 -0.408 0.000 0.902 110 Q HN 0.328 nan 8.270 nan 0.000 0.425 111 F N 0.945 120.884 119.950 -0.018 0.000 2.259 111 F HA 0.082 4.602 4.527 -0.012 0.000 0.298 111 F C 2.621 178.416 175.800 -0.008 0.000 1.088 111 F CA 0.669 58.667 58.000 -0.003 0.000 1.358 111 F CB -0.135 38.874 39.000 0.015 0.000 1.040 111 F HN -0.073 nan 8.300 nan 0.000 0.505 112 R N 0.465 121.045 120.500 0.134 0.000 2.096 112 R HA -0.229 4.103 4.340 -0.013 0.000 0.240 112 R C 2.450 178.769 176.300 0.032 0.000 1.139 112 R CA 1.495 57.628 56.100 0.056 0.000 0.952 112 R CB -0.771 29.525 30.300 -0.006 0.000 0.854 112 R HN 0.320 nan 8.270 nan 0.000 0.436 113 A N 0.781 123.602 122.820 0.003 0.000 1.933 113 A HA -0.170 4.142 4.320 -0.013 0.000 0.218 113 A C 2.020 179.607 177.584 0.005 0.000 1.175 113 A CA 1.115 53.146 52.037 -0.009 0.000 0.628 113 A CB -0.463 18.516 19.000 -0.035 0.000 0.814 113 A HN 0.260 nan 8.150 nan 0.000 0.444 114 L N -0.223 121.010 121.223 0.017 0.000 2.027 114 L HA -0.033 4.299 4.340 -0.013 0.000 0.206 114 L C 2.706 179.607 176.870 0.051 0.000 1.074 114 L CA 2.225 57.086 54.840 0.033 0.000 0.745 114 L CB -0.970 41.122 42.059 0.056 0.000 0.898 114 L HN 0.339 nan 8.230 nan 0.000 0.433 115 A N -0.598 122.266 122.820 0.074 0.000 1.908 115 A HA -0.287 4.025 4.320 -0.013 0.000 0.218 115 A C 2.268 179.881 177.584 0.049 0.000 1.181 115 A CA 1.912 53.991 52.037 0.070 0.000 0.627 115 A CB -1.075 17.973 19.000 0.081 0.000 0.818 115 A HN 0.682 nan 8.150 nan 0.000 0.445 116 N N -0.606 118.117 118.700 0.038 0.000 2.272 116 N HA -0.212 4.520 4.740 -0.013 0.000 0.185 116 N C 1.896 177.420 175.510 0.024 0.000 1.014 116 N CA 1.434 54.502 53.050 0.030 0.000 0.870 116 N CB -0.158 38.341 38.487 0.021 0.000 0.975 116 N HN 0.719 nan 8.380 nan 0.000 0.433 117 Q N 0.405 120.217 119.800 0.020 0.000 2.224 117 Q HA -0.085 4.247 4.340 -0.013 0.000 0.203 117 Q C 1.974 177.982 176.000 0.013 0.000 0.970 117 Q CA 1.224 57.034 55.803 0.011 0.000 0.865 117 Q CB 0.315 29.058 28.738 0.008 0.000 0.922 117 Q HN 0.427 nan 8.270 nan 0.000 0.445 118 V N -3.069 116.859 119.914 0.023 0.000 3.125 118 V HA 0.056 4.168 4.120 -0.013 0.000 0.249 118 V C 1.559 177.670 176.094 0.029 0.000 1.113 118 V CA 0.738 63.051 62.300 0.021 0.000 1.106 118 V CB 0.577 32.415 31.823 0.025 0.000 0.768 118 V HN 0.243 nan 8.190 nan 0.000 0.468 119 V N -1.874 118.065 119.914 0.041 0.000 3.432 119 V HA 0.708 4.820 4.120 -0.013 0.000 0.298 119 V C 1.084 177.208 176.094 0.049 0.000 1.464 119 V CA 0.377 62.707 62.300 0.050 0.000 1.046 119 V CB -0.470 31.391 31.823 0.062 0.000 0.887 119 V HN 0.471 nan 8.190 nan 0.000 0.441 120 G N -0.328 108.501 108.800 0.048 0.000 2.553 120 G HA2 0.344 4.296 3.960 -0.013 0.000 0.278 120 G HA3 0.344 4.296 3.960 -0.013 0.000 0.278 120 G C 0.517 175.449 174.900 0.052 0.000 1.349 120 G CA 0.071 45.216 45.100 0.075 0.000 1.037 120 G HN 0.140 nan 8.290 nan 0.000 0.508 121 M N 1.238 120.843 119.600 0.010 0.000 2.106 121 M HA -0.044 4.428 4.480 -0.013 0.000 0.259 121 M C -0.006 176.268 176.300 -0.044 0.000 1.068 121 M CA 1.780 57.033 55.300 -0.078 0.000 1.100 121 M CB -0.900 31.555 32.600 -0.243 0.000 1.351 121 M HN 0.368 nan 8.290 nan 0.000 0.404 122 P HA -0.075 nan 4.420 nan 0.000 0.218 122 P C 1.610 178.903 177.300 -0.012 0.000 1.149 122 P CA 1.261 64.346 63.100 -0.024 0.000 0.817 122 P CB -0.152 31.534 31.700 -0.022 0.000 0.785 123 V N 0.035 119.947 119.914 -0.004 0.000 2.719 123 V HA -0.131 3.982 4.120 -0.013 0.000 0.252 123 V C 2.794 178.890 176.094 0.004 0.000 1.065 123 V CA 1.158 63.458 62.300 -0.001 0.000 1.086 123 V CB -0.947 30.877 31.823 0.002 0.000 0.700 123 V HN -0.068 nan 8.190 nan 0.000 0.467 124 V N 0.334 120.256 119.914 0.012 0.000 2.392 124 V HA -0.261 3.851 4.120 -0.013 0.000 0.249 124 V C 2.269 178.371 176.094 0.014 0.000 1.059 124 V CA 2.140 64.452 62.300 0.020 0.000 1.051 124 V CB -0.679 31.164 31.823 0.033 0.000 0.658 124 V HN 0.556 nan 8.190 nan 0.000 0.455 125 D N 0.031 120.433 120.400 0.003 0.000 2.117 125 D HA -0.133 4.499 4.640 -0.013 0.000 0.198 125 D C 2.232 178.533 176.300 0.003 0.000 0.982 125 D CA 1.073 55.074 54.000 0.002 0.000 0.828 125 D CB -0.215 40.580 40.800 -0.008 0.000 0.967 125 D HN 0.409 nan 8.370 nan 0.000 0.464 126 K N 0.058 120.457 120.400 -0.001 0.000 2.209 126 K HA -0.020 4.292 4.320 -0.013 0.000 0.204 126 K C 1.928 178.528 176.600 -0.000 0.000 1.048 126 K CA 0.538 56.823 56.287 -0.003 0.000 0.940 126 K CB 0.084 32.579 32.500 -0.009 0.000 0.729 126 K HN 0.177 nan 8.250 nan 0.000 0.451 127 L N -0.019 121.205 121.223 0.003 0.000 2.554 127 L HA 0.026 4.358 4.340 -0.013 0.000 0.225 127 L C 2.126 179.010 176.870 0.023 0.000 1.104 127 L CA 0.019 54.862 54.840 0.005 0.000 0.866 127 L CB -0.023 42.034 42.059 -0.004 0.000 1.047 127 L HN 0.191 nan 8.230 nan 0.000 0.468 128 E N 1.194 121.411 120.200 0.028 0.000 2.113 128 E HA -0.318 4.024 4.350 -0.013 0.000 0.210 128 E C 1.564 178.197 176.600 0.055 0.000 1.040 128 E CA 2.215 58.642 56.400 0.044 0.000 0.847 128 E CB 0.093 29.813 29.700 0.034 0.000 0.755 128 E HN 0.508 nan 8.360 nan 0.000 0.459 129 N N -0.065 118.661 118.700 0.042 0.000 2.216 129 N HA -0.082 4.650 4.740 -0.013 0.000 0.183 129 N C 1.903 177.447 175.510 0.057 0.000 1.017 129 N CA 0.900 53.978 53.050 0.046 0.000 0.861 129 N CB -0.247 38.260 38.487 0.032 0.000 0.986 129 N HN 0.229 nan 8.380 nan 0.000 0.428 130 R N 0.850 121.379 120.500 0.048 0.000 2.081 130 R HA 0.043 4.375 4.340 -0.013 0.000 0.235 130 R C 2.312 178.667 176.300 0.092 0.000 1.131 130 R CA 0.784 56.916 56.100 0.052 0.000 0.960 130 R CB -0.361 29.954 30.300 0.024 0.000 0.856 130 R HN 0.197 nan 8.270 nan 0.000 0.436 131 I N 0.834 121.464 120.570 0.100 0.000 2.127 131 I HA -0.348 3.814 4.170 -0.013 0.000 0.241 131 I C 2.757 179.050 176.117 0.293 0.000 1.075 131 I CA 1.476 62.888 61.300 0.188 0.000 1.334 131 I CB -0.320 37.771 38.000 0.152 0.000 1.040 131 I HN 0.149 nan 8.210 nan 0.000 0.405 132 Q N 1.364 121.276 119.800 0.186 0.000 2.030 132 Q HA -0.261 4.071 4.340 -0.013 0.000 0.204 132 Q C 1.955 178.030 176.000 0.127 0.000 0.986 132 Q CA 2.043 57.935 55.803 0.147 0.000 0.843 132 Q CB -0.227 28.569 28.738 0.097 0.000 0.904 132 Q HN 0.476 nan 8.270 nan 0.000 0.420 133 E N -0.434 119.830 120.200 0.106 0.000 2.085 133 E HA -0.206 4.136 4.350 -0.013 0.000 0.194 133 E C 1.911 178.576 176.600 0.108 0.000 0.994 133 E CA 1.231 57.682 56.400 0.086 0.000 0.801 133 E CB -0.271 29.469 29.700 0.066 0.000 0.743 133 E HN 0.293 nan 8.360 nan 0.000 0.453 134 L N 0.868 122.187 121.223 0.162 0.000 2.056 134 L HA -0.082 4.250 4.340 -0.013 0.000 0.207 134 L C 2.198 179.191 176.870 0.206 0.000 1.078 134 L CA 1.935 56.892 54.840 0.196 0.000 0.749 134 L CB -0.741 41.466 42.059 0.247 0.000 0.901 134 L HN 0.054 nan 8.230 nan 0.000 0.433 135 A N -1.157 121.786 122.820 0.206 0.000 1.865 135 A HA -0.275 4.037 4.320 -0.013 0.000 0.217 135 A C 2.416 180.037 177.584 0.063 0.000 1.191 135 A CA 2.074 54.083 52.037 -0.048 0.000 0.623 135 A CB -1.532 17.335 19.000 -0.221 0.000 0.826 135 A HN 0.622 nan 8.150 nan 0.000 0.444 136 C N -0.178 119.152 119.300 0.050 0.000 2.429 136 C HA -0.090 4.362 4.460 -0.013 0.000 0.277 136 C C 3.486 178.490 174.990 0.022 0.000 1.262 136 C CA 1.500 60.528 59.018 0.018 0.000 1.733 136 C CB -1.259 26.491 27.740 0.016 0.000 2.010 136 C HN 0.814 nan 8.230 nan 0.000 0.483 137 S N 0.653 116.383 115.700 0.050 0.000 2.368 137 S HA -0.098 4.364 4.470 -0.013 0.000 0.224 137 S C 1.704 176.340 174.600 0.061 0.000 1.029 137 S CA 1.127 59.354 58.200 0.046 0.000 0.988 137 S CB -0.537 62.693 63.200 0.049 0.000 0.838 137 S HN 0.335 nan 8.310 nan 0.000 0.462 138 L N 1.791 123.076 121.223 0.104 0.000 2.012 138 L HA 0.061 4.393 4.340 -0.013 0.000 0.210 138 L C 2.505 179.455 176.870 0.133 0.000 1.073 138 L CA 1.407 56.338 54.840 0.153 0.000 0.748 138 L CB -1.166 41.035 42.059 0.236 0.000 0.891 138 L HN 0.398 nan 8.230 nan 0.000 0.431 139 I N -1.071 119.545 120.570 0.076 0.000 2.252 139 I HA -0.238 3.924 4.170 -0.013 0.000 0.245 139 I C 2.464 178.470 176.117 -0.185 0.000 1.102 139 I CA 0.881 62.097 61.300 -0.140 0.000 1.385 139 I CB -0.220 37.622 38.000 -0.264 0.000 1.064 139 I HN 0.235 nan 8.210 nan 0.000 0.414 140 E N 1.141 121.278 120.200 -0.104 0.000 2.118 140 E HA -0.185 4.157 4.350 -0.013 0.000 0.195 140 E C 2.194 178.776 176.600 -0.030 0.000 0.992 140 E CA 1.664 58.017 56.400 -0.079 0.000 0.804 140 E CB -0.166 29.507 29.700 -0.045 0.000 0.741 140 E HN 0.252 nan 8.360 nan 0.000 0.458 141 S N -0.324 115.380 115.700 0.006 0.000 2.382 141 S HA -0.067 4.395 4.470 -0.013 0.000 0.228 141 S C 1.861 176.498 174.600 0.060 0.000 1.027 141 S CA 1.116 59.337 58.200 0.036 0.000 0.991 141 S CB -0.215 63.016 63.200 0.052 0.000 0.823 141 S HN 0.269 nan 8.310 nan 0.000 0.469 142 L N 0.922 122.188 121.223 0.072 0.000 2.109 142 L HA 0.008 4.340 4.340 -0.013 0.000 0.207 142 L C 2.625 179.634 176.870 0.231 0.000 1.086 142 L CA 0.884 55.822 54.840 0.163 0.000 0.760 142 L CB -0.500 41.681 42.059 0.203 0.000 0.910 142 L HN 0.240 nan 8.230 nan 0.000 0.437 143 R N 0.893 121.417 120.500 0.041 0.000 2.133 143 R HA -0.208 4.125 4.340 -0.013 0.000 0.245 143 R C -0.597 175.882 176.300 0.299 0.000 1.137 143 R CA 2.353 58.474 56.100 0.036 0.000 0.947 143 R CB -1.366 28.838 30.300 -0.160 0.000 0.865 143 R HN 0.269 nan 8.270 nan 0.000 0.437 144 P HA -0.079 nan 4.420 nan 0.000 0.233 144 P C 0.559 177.912 177.300 0.089 0.000 1.167 144 P CA 1.124 64.297 63.100 0.123 0.000 0.770 144 P CB -0.050 31.685 31.700 0.058 0.000 0.837 145 Q N -0.483 119.373 119.800 0.094 0.000 2.167 145 Q HA 0.015 4.347 4.340 -0.013 0.000 0.202 145 Q C 1.610 177.435 176.000 -0.291 0.000 0.970 145 Q CA 1.185 56.956 55.803 -0.052 0.000 0.855 145 Q CB -0.566 28.162 28.738 -0.017 0.000 0.911 145 Q HN 0.291 nan 8.270 nan 0.000 0.438 146 G N 1.242 109.688 108.800 -0.591 0.000 2.162 146 G HA2 -0.310 3.642 3.960 -0.013 0.000 0.260 146 G HA3 -0.310 3.642 3.960 -0.013 0.000 0.260 146 G C -0.087 173.799 174.900 -1.690 0.000 0.976 146 G CA 0.756 45.040 45.100 -1.360 0.000 0.655 146 G HN 0.461 nan 8.290 nan 0.000 0.533 147 Q N -1.719 117.173 119.800 -1.513 0.000 2.647 147 Q HA 0.616 4.948 4.340 -0.013 0.000 0.283 147 Q C -0.374 175.440 176.000 -0.308 0.000 0.943 147 Q CA -0.778 54.505 55.803 -0.866 0.000 0.813 147 Q CB 1.328 29.841 28.738 -0.375 0.000 1.477 147 Q HN 1.391 nan 8.270 nan 0.000 0.393 148 C N -0.529 118.809 119.300 0.062 0.000 3.321 148 C HA 0.665 5.117 4.460 -0.013 0.000 0.329 148 C C -1.434 173.684 174.990 0.214 0.000 1.394 148 C CA -0.878 58.282 59.018 0.236 0.000 1.291 148 C CB 1.532 29.564 27.740 0.488 0.000 1.606 148 C HN 0.887 nan 8.230 nan 0.000 0.463 149 N N 1.214 120.019 118.700 0.176 0.000 2.558 149 N HA 0.238 4.970 4.740 -0.013 0.000 0.233 149 N C 0.156 175.774 175.510 0.180 0.000 1.038 149 N CA -0.318 52.824 53.050 0.153 0.000 0.934 149 N CB 0.796 39.337 38.487 0.089 0.000 1.175 149 N HN 0.771 nan 8.380 nan 0.000 0.512 150 F N 2.790 122.792 119.950 0.087 0.000 2.161 150 F HA -0.261 4.257 4.527 -0.014 0.000 0.300 150 F C 2.500 178.335 175.800 0.059 0.000 1.089 150 F CA 1.810 59.845 58.000 0.059 0.000 1.282 150 F CB -0.134 38.825 39.000 -0.069 0.000 1.010 150 F HN 0.415 nan 8.300 nan 0.000 0.485 151 T N -1.380 113.186 114.554 0.020 0.000 2.708 151 T HA -0.263 4.079 4.350 -0.013 0.000 0.266 151 T C 1.760 176.397 174.700 -0.106 0.000 1.037 151 T CA 1.477 63.537 62.100 -0.067 0.000 1.146 151 T CB -0.890 67.976 68.868 -0.004 0.000 0.865 151 T HN 0.665 nan 8.240 nan 0.000 0.435 152 E N 0.946 121.120 120.200 -0.044 0.000 2.230 152 E HA -0.080 4.262 4.350 -0.013 0.000 0.192 152 E C 1.270 177.849 176.600 -0.035 0.000 0.987 152 E CA 1.018 57.398 56.400 -0.032 0.000 0.841 152 E CB -0.162 29.540 29.700 0.002 0.000 0.783 152 E HN 0.410 nan 8.360 nan 0.000 0.481 153 D N -1.043 119.342 120.400 -0.024 0.000 2.354 153 D HA 0.027 4.659 4.640 -0.013 0.000 0.209 153 D C 0.547 176.873 176.300 0.044 0.000 1.015 153 D CA 0.616 54.639 54.000 0.039 0.000 0.867 153 D CB 0.341 41.219 40.800 0.130 0.000 0.933 153 D HN 0.303 nan 8.370 nan 0.000 0.520 154 Y N -0.194 119.925 120.300 -0.302 0.000 3.032 154 Y HA 0.313 4.855 4.550 -0.013 0.000 0.232 154 Y C 1.968 177.636 175.900 -0.387 0.000 1.099 154 Y CA 0.575 58.465 58.100 -0.350 0.000 1.328 154 Y CB -0.181 37.989 38.460 -0.482 0.000 1.432 154 Y HN -0.150 nan 8.280 nan 0.000 0.433 155 A N 0.985 123.467 122.820 -0.564 0.000 1.917 155 A HA -0.204 4.108 4.320 -0.013 0.000 0.219 155 A C 1.802 179.302 177.584 -0.140 0.000 1.182 155 A CA 2.367 54.240 52.037 -0.274 0.000 0.633 155 A CB -0.624 18.242 19.000 -0.222 0.000 0.819 155 A HN 0.690 nan 8.150 nan 0.000 0.448 156 E N -0.695 119.414 120.200 -0.151 0.000 2.008 156 E HA -0.100 4.242 4.350 -0.013 0.000 0.191 156 E C -0.544 175.995 176.600 -0.102 0.000 0.986 156 E CA 1.026 57.367 56.400 -0.098 0.000 0.807 156 E CB -0.750 28.907 29.700 -0.071 0.000 0.766 156 E HN 0.466 nan 8.360 nan 0.000 0.450 157 P HA -0.182 nan 4.420 nan 0.000 0.217 157 P C 1.290 178.531 177.300 -0.100 0.000 1.150 157 P CA 1.087 64.136 63.100 -0.085 0.000 0.832 157 P CB -0.100 31.562 31.700 -0.064 0.000 0.787 158 F N 3.090 122.809 119.950 -0.385 0.000 2.010 158 F HA -0.092 4.428 4.527 -0.013 0.000 0.296 158 F C -0.870 174.824 175.800 -0.177 0.000 1.146 158 F CA 1.851 59.607 58.000 -0.408 0.000 1.181 158 F CB -2.060 36.398 39.000 -0.904 0.000 0.965 158 F HN -0.035 nan 8.300 nan 0.000 0.480 159 P HA -0.097 nan 4.420 nan 0.000 0.219 159 P C 2.198 179.391 177.300 -0.179 0.000 1.150 159 P CA 1.840 64.701 63.100 -0.398 0.000 0.814 159 P CB -0.193 31.399 31.700 -0.180 0.000 0.787 160 I N -0.334 120.170 120.570 -0.110 0.000 2.252 160 I HA -0.171 3.991 4.170 -0.013 0.000 0.245 160 I C 2.709 178.836 176.117 0.017 0.000 1.102 160 I CA 1.301 62.593 61.300 -0.013 0.000 1.385 160 I CB -0.442 37.544 38.000 -0.023 0.000 1.064 160 I HN -0.155 nan 8.210 nan 0.000 0.414 161 R N 0.618 121.092 120.500 -0.044 0.000 2.115 161 R HA -0.084 4.248 4.340 -0.013 0.000 0.230 161 R C 2.296 178.564 176.300 -0.054 0.000 1.111 161 R CA 1.208 57.288 56.100 -0.033 0.000 0.976 161 R CB -0.283 30.000 30.300 -0.029 0.000 0.870 161 R HN 0.358 nan 8.270 nan 0.000 0.445 162 I N -0.053 120.451 120.570 -0.111 0.000 2.179 162 I HA -0.291 3.871 4.170 -0.013 0.000 0.242 162 I C 2.168 178.249 176.117 -0.060 0.000 1.088 162 I CA 1.234 62.464 61.300 -0.118 0.000 1.357 162 I CB -0.260 37.601 38.000 -0.232 0.000 1.051 162 I HN 0.070 nan 8.210 nan 0.000 0.409 163 F N 1.271 121.147 119.950 -0.123 0.000 2.102 163 F HA -0.256 4.263 4.527 -0.013 0.000 0.298 163 F C 2.494 178.264 175.800 -0.051 0.000 1.105 163 F CA 1.661 59.612 58.000 -0.082 0.000 1.239 163 F CB -0.141 38.810 39.000 -0.081 0.000 0.991 163 F HN -0.069 nan 8.300 nan 0.000 0.474 164 M N -0.381 119.170 119.600 -0.081 0.000 2.229 164 M HA -0.155 4.317 4.480 -0.013 0.000 0.264 164 M C 2.228 178.424 176.300 -0.173 0.000 1.063 164 M CA 0.950 56.174 55.300 -0.127 0.000 1.114 164 M CB -1.375 31.232 32.600 0.011 0.000 1.387 164 M HN 0.243 nan 8.290 nan 0.000 0.420 165 L N 0.594 121.735 121.223 -0.136 0.000 1.994 165 L HA -0.170 4.162 4.340 -0.013 0.000 0.208 165 L C 2.429 179.202 176.870 -0.162 0.000 1.071 165 L CA 1.644 56.415 54.840 -0.115 0.000 0.745 165 L CB -1.456 40.556 42.059 -0.078 0.000 0.892 165 L HN 0.261 nan 8.230 nan 0.000 0.431 166 L N 0.316 121.406 121.223 -0.222 0.000 2.079 166 L HA -0.131 4.201 4.340 -0.013 0.000 0.210 166 L C 2.227 178.918 176.870 -0.297 0.000 1.081 166 L CA 2.235 56.933 54.840 -0.238 0.000 0.752 166 L CB -0.825 41.085 42.059 -0.248 0.000 0.896 166 L HN 0.241 nan 8.230 nan 0.000 0.433 167 A N -1.071 121.467 122.820 -0.470 0.000 2.251 167 A HA 0.400 4.712 4.320 -0.013 0.000 0.209 167 A C 1.576 179.045 177.584 -0.192 0.000 1.187 167 A CA 0.475 52.275 52.037 -0.395 0.000 0.823 167 A CB -0.965 17.651 19.000 -0.640 0.000 0.846 167 A HN 0.869 nan 8.150 nan 0.000 0.486 168 G N -0.299 108.407 108.800 -0.156 0.000 2.338 168 G HA2 -0.213 3.739 3.960 -0.013 0.000 0.296 168 G HA3 -0.213 3.739 3.960 -0.013 0.000 0.296 168 G C -0.168 174.705 174.900 -0.044 0.000 1.040 168 G CA 0.669 45.720 45.100 -0.082 0.000 1.004 168 G HN 0.496 nan 8.290 nan 0.000 0.509 169 L N 0.413 121.615 121.223 -0.034 0.000 2.346 169 L HA 0.553 4.885 4.340 -0.013 0.000 0.274 169 L C -1.764 175.132 176.870 0.044 0.000 1.007 169 L CA -2.562 52.303 54.840 0.043 0.000 0.818 169 L CB 2.184 44.312 42.059 0.114 0.000 1.284 169 L HN -0.045 nan 8.230 nan 0.000 0.424 170 P HA 0.098 nan 4.420 nan 0.000 0.271 170 P C -0.124 177.211 177.300 0.057 0.000 1.216 170 P CA -0.185 62.946 63.100 0.052 0.000 0.776 170 P CB 0.893 32.626 31.700 0.056 0.000 0.881 171 E N 1.407 121.629 120.200 0.037 0.000 2.268 171 E HA -0.196 4.146 4.350 -0.013 0.000 0.195 171 E C 1.530 178.153 176.600 0.038 0.000 0.995 171 E CA 0.960 57.380 56.400 0.033 0.000 0.836 171 E CB 0.048 29.760 29.700 0.021 0.000 0.763 171 E HN 0.670 nan 8.360 nan 0.000 0.491 172 E N 0.919 121.144 120.200 0.041 0.000 2.409 172 E HA -0.190 4.152 4.350 -0.013 0.000 0.198 172 E C 0.755 177.390 176.600 0.058 0.000 1.024 172 E CA 0.979 57.405 56.400 0.042 0.000 0.861 172 E CB 0.028 29.749 29.700 0.035 0.000 0.788 172 E HN 0.118 nan 8.360 nan 0.000 0.521 173 D N 0.788 121.235 120.400 0.080 0.000 2.355 173 D HA 0.065 4.697 4.640 -0.013 0.000 0.218 173 D C 1.739 178.068 176.300 0.048 0.000 1.004 173 D CA 0.240 54.297 54.000 0.096 0.000 0.880 173 D CB 0.017 40.916 40.800 0.164 0.000 0.911 173 D HN 0.307 nan 8.370 nan 0.000 0.528 174 I N 1.427 122.021 120.570 0.040 0.000 2.127 174 I HA -0.217 3.946 4.170 -0.013 0.000 0.241 174 I C -0.589 175.539 176.117 0.020 0.000 1.075 174 I CA 1.243 62.554 61.300 0.018 0.000 1.334 174 I CB -1.228 36.783 38.000 0.019 0.000 1.040 174 I HN 0.012 nan 8.210 nan 0.000 0.405 175 P HA -0.210 nan 4.420 nan 0.000 0.215 175 P C 1.432 178.787 177.300 0.091 0.000 1.153 175 P CA 1.652 64.785 63.100 0.056 0.000 0.853 175 P CB -0.084 31.646 31.700 0.050 0.000 0.788 176 H N -0.371 118.695 119.070 -0.006 0.000 2.299 176 H HA -0.032 4.516 4.556 -0.013 0.000 0.302 176 H C 1.824 177.146 175.328 -0.011 0.000 1.078 176 H CA 1.500 57.547 56.048 -0.002 0.000 1.323 176 H CB -1.039 28.703 29.762 -0.034 0.000 1.381 176 H HN -0.058 nan 8.280 nan 0.000 0.498 177 L N -0.109 121.004 121.223 -0.183 0.000 2.083 177 L HA -0.141 4.191 4.340 -0.013 0.000 0.209 177 L C 2.526 179.280 176.870 -0.194 0.000 1.083 177 L CA 1.570 56.236 54.840 -0.290 0.000 0.752 177 L CB -0.400 41.499 42.059 -0.268 0.000 0.899 177 L HN 0.202 nan 8.230 nan 0.000 0.433 178 K N -0.058 120.281 120.400 -0.102 0.000 2.057 178 K HA -0.244 4.068 4.320 -0.013 0.000 0.206 178 K C 2.117 178.678 176.600 -0.066 0.000 1.050 178 K CA 1.505 57.747 56.287 -0.074 0.000 0.935 178 K CB -0.628 31.853 32.500 -0.031 0.000 0.715 178 K HN 0.226 nan 8.250 nan 0.000 0.439 179 Y N 0.880 121.107 120.300 -0.122 0.000 2.081 179 Y HA -0.224 4.318 4.550 -0.013 0.000 0.280 179 Y C 1.628 177.441 175.900 -0.145 0.000 1.163 179 Y CA 2.086 60.120 58.100 -0.111 0.000 1.135 179 Y CB -0.296 38.111 38.460 -0.088 0.000 0.970 179 Y HN 0.026 nan 8.280 nan 0.000 0.498 180 L N -0.843 120.205 121.223 -0.293 0.000 2.046 180 L HA -0.260 4.072 4.340 -0.013 0.000 0.208 180 L C 2.388 179.065 176.870 -0.322 0.000 1.077 180 L CA 1.945 56.568 54.840 -0.361 0.000 0.747 180 L CB -1.079 40.788 42.059 -0.321 0.000 0.896 180 L HN 0.249 nan 8.230 nan 0.000 0.432 181 T N -0.826 113.582 114.554 -0.244 0.000 2.746 181 T HA -0.183 4.159 4.350 -0.013 0.000 0.267 181 T C 1.430 176.057 174.700 -0.122 0.000 1.039 181 T CA 1.574 63.576 62.100 -0.163 0.000 1.142 181 T CB -0.268 68.510 68.868 -0.150 0.000 0.866 181 T HN 0.317 nan 8.240 nan 0.000 0.444 182 D N 1.031 121.331 120.400 -0.167 0.000 2.182 182 D HA -0.075 4.557 4.640 -0.013 0.000 0.201 182 D C 2.336 178.550 176.300 -0.143 0.000 0.986 182 D CA 0.786 54.709 54.000 -0.128 0.000 0.847 182 D CB -0.224 40.496 40.800 -0.133 0.000 0.942 182 D HN 0.287 nan 8.370 nan 0.000 0.467 183 Q N -0.488 119.145 119.800 -0.279 0.000 2.297 183 Q HA 0.078 4.410 4.340 -0.013 0.000 0.204 183 Q C 2.098 178.073 176.000 -0.042 0.000 0.962 183 Q CA 0.452 56.117 55.803 -0.229 0.000 0.879 183 Q CB -0.186 28.327 28.738 -0.376 0.000 0.947 183 Q HN 0.445 nan 8.270 nan 0.000 0.462 184 M N -0.288 119.325 119.600 0.021 0.000 2.388 184 M HA -0.056 4.416 4.480 -0.013 0.000 0.265 184 M C 1.704 178.300 176.300 0.494 0.000 1.088 184 M CA 1.623 57.110 55.300 0.311 0.000 1.134 184 M CB 0.068 32.812 32.600 0.240 0.000 1.384 184 M HN 0.244 nan 8.290 nan 0.000 0.447 185 T N -2.759 111.959 114.554 0.274 0.000 3.026 185 T HA 0.205 4.547 4.350 -0.013 0.000 0.245 185 T C 1.074 175.920 174.700 0.242 0.000 1.004 185 T CA -0.205 62.037 62.100 0.237 0.000 1.069 185 T CB 0.219 69.182 68.868 0.158 0.000 1.005 185 T HN 0.228 nan 8.240 nan 0.000 0.472 186 R N 2.249 122.848 120.500 0.165 0.000 2.674 186 R HA 0.334 4.666 4.340 -0.013 0.000 0.270 186 R C -2.961 173.371 176.300 0.053 0.000 1.492 186 R CA -1.582 54.618 56.100 0.167 0.000 1.624 186 R CB 1.245 31.622 30.300 0.129 0.000 1.307 186 R HN 0.365 nan 8.270 nan 0.000 0.683 187 P HA -0.013 nan 4.420 nan 0.000 0.268 187 P C -0.254 177.011 177.300 -0.059 0.000 1.205 187 P CA 0.140 63.194 63.100 -0.076 0.000 0.771 187 P CB 0.874 32.503 31.700 -0.119 0.000 0.858 188 D N 0.946 121.324 120.400 -0.037 0.000 2.339 188 D HA 0.106 4.738 4.640 -0.013 0.000 0.217 188 D C 1.358 177.658 176.300 -0.000 0.000 1.050 188 D CA 0.419 54.419 54.000 -0.000 0.000 0.856 188 D CB -0.332 40.490 40.800 0.036 0.000 0.922 188 D HN 0.613 nan 8.370 nan 0.000 0.518 189 G N 0.132 108.922 108.800 -0.017 0.000 2.213 189 G HA2 -0.346 3.606 3.960 -0.013 0.000 0.226 189 G HA3 -0.346 3.606 3.960 -0.013 0.000 0.226 189 G C 1.272 176.183 174.900 0.017 0.000 0.992 189 G CA 0.645 45.738 45.100 -0.011 0.000 0.632 189 G HN 0.611 nan 8.290 nan 0.000 0.511 190 S N -0.610 115.120 115.700 0.050 0.000 2.428 190 S HA 0.428 4.890 4.470 -0.013 0.000 0.230 190 S C 1.017 175.667 174.600 0.083 0.000 1.014 190 S CA 1.237 59.488 58.200 0.086 0.000 0.957 190 S CB 0.068 63.363 63.200 0.159 0.000 0.784 190 S HN 0.541 nan 8.310 nan 0.000 0.499 191 M N 2.149 121.781 119.600 0.053 0.000 2.386 191 M HA 0.328 4.800 4.480 -0.013 0.000 0.293 191 M C -0.461 175.839 176.300 0.001 0.000 1.120 191 M CA -0.597 54.720 55.300 0.029 0.000 0.909 191 M CB 2.560 35.171 32.600 0.018 0.000 1.661 191 M HN 0.227 nan 8.290 nan 0.000 0.452 192 T N -1.153 113.409 114.554 0.014 0.000 2.813 192 T HA 0.160 4.502 4.350 -0.013 0.000 0.297 192 T C 0.838 175.567 174.700 0.048 0.000 1.036 192 T CA -0.360 61.765 62.100 0.040 0.000 1.044 192 T CB 0.725 69.626 68.868 0.055 0.000 0.993 192 T HN 0.580 nan 8.240 nan 0.000 0.535 193 F N 1.771 121.714 119.950 -0.012 0.000 2.091 193 F HA -0.090 4.428 4.527 -0.014 0.000 0.299 193 F C 2.555 178.323 175.800 -0.053 0.000 1.103 193 F CA 2.082 60.081 58.000 -0.002 0.000 1.228 193 F CB -1.018 38.021 39.000 0.066 0.000 0.984 193 F HN 0.747 nan 8.300 nan 0.000 0.477 194 A N -0.225 122.676 122.820 0.135 0.000 1.933 194 A HA -0.215 4.097 4.320 -0.013 0.000 0.218 194 A C 2.102 179.626 177.584 -0.099 0.000 1.175 194 A CA 1.933 53.981 52.037 0.018 0.000 0.628 194 A CB -0.880 18.172 19.000 0.088 0.000 0.814 194 A HN 0.590 nan 8.150 nan 0.000 0.444 195 E N -0.405 119.755 120.200 -0.067 0.000 2.072 195 E HA -0.049 4.293 4.350 -0.013 0.000 0.191 195 E C 2.323 178.851 176.600 -0.121 0.000 0.985 195 E CA 0.923 57.287 56.400 -0.060 0.000 0.801 195 E CB -0.266 29.427 29.700 -0.011 0.000 0.750 195 E HN 0.616 nan 8.360 nan 0.000 0.452 196 A N 1.542 124.240 122.820 -0.203 0.000 1.933 196 A HA -0.228 4.084 4.320 -0.013 0.000 0.218 196 A C 2.046 179.408 177.584 -0.370 0.000 1.175 196 A CA 1.530 53.408 52.037 -0.266 0.000 0.628 196 A CB -0.353 18.450 19.000 -0.328 0.000 0.814 196 A HN 0.057 nan 8.150 nan 0.000 0.444 197 K N -0.091 119.971 120.400 -0.564 0.000 2.026 197 K HA -0.223 4.089 4.320 -0.013 0.000 0.208 197 K C 2.106 178.388 176.600 -0.531 0.000 1.048 197 K CA 1.756 57.621 56.287 -0.703 0.000 0.929 197 K CB -0.201 31.793 32.500 -0.844 0.000 0.713 197 K HN 0.658 nan 8.250 nan 0.000 0.439 198 E N -0.058 119.984 120.200 -0.264 0.000 2.110 198 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 198 E C 1.688 178.290 176.600 0.004 0.000 0.988 198 E CA 1.058 57.422 56.400 -0.061 0.000 0.804 198 E CB -0.120 29.574 29.700 -0.010 0.000 0.745 198 E HN 0.401 nan 8.360 nan 0.000 0.458 199 A N 0.943 123.747 122.820 -0.027 0.000 1.929 199 A HA -0.094 4.218 4.320 -0.013 0.000 0.216 199 A C 2.111 179.745 177.584 0.084 0.000 1.176 199 A CA 0.988 53.060 52.037 0.059 0.000 0.628 199 A CB -0.526 18.511 19.000 0.062 0.000 0.816 199 A HN 0.379 nan 8.150 nan 0.000 0.444 200 L N -1.462 119.732 121.223 -0.048 0.000 2.046 200 L HA -0.118 4.214 4.340 -0.013 0.000 0.208 200 L C 2.260 179.253 176.870 0.206 0.000 1.077 200 L CA 1.815 56.654 54.840 -0.001 0.000 0.747 200 L CB -0.740 41.227 42.059 -0.154 0.000 0.896 200 L HN 0.462 nan 8.230 nan 0.000 0.432 201 Y N -0.436 119.921 120.300 0.096 0.000 2.242 201 Y HA -0.203 4.339 4.550 -0.014 0.000 0.291 201 Y C 2.529 178.487 175.900 0.096 0.000 1.137 201 Y CA 1.097 59.250 58.100 0.088 0.000 1.181 201 Y CB -1.069 37.413 38.460 0.037 0.000 0.989 201 Y HN 0.367 nan 8.280 nan 0.000 0.527 202 D N -1.001 119.552 120.400 0.254 0.000 2.123 202 D HA -0.271 4.361 4.640 -0.013 0.000 0.196 202 D C 2.148 178.564 176.300 0.193 0.000 0.992 202 D CA 1.281 55.390 54.000 0.182 0.000 0.833 202 D CB -0.402 40.492 40.800 0.157 0.000 0.954 202 D HN 0.351 nan 8.370 nan 0.000 0.455 203 Y N 0.390 120.768 120.300 0.131 0.000 2.163 203 Y HA -0.060 4.482 4.550 -0.014 0.000 0.288 203 Y C 1.958 177.920 175.900 0.103 0.000 1.136 203 Y CA 1.440 59.614 58.100 0.123 0.000 1.147 203 Y CB -0.208 38.348 38.460 0.160 0.000 0.987 203 Y HN 0.020 nan 8.280 nan 0.000 0.509 204 L N -0.639 120.704 121.223 0.201 0.000 2.179 204 L HA -0.139 4.193 4.340 -0.013 0.000 0.208 204 L C 2.302 179.180 176.870 0.012 0.000 1.096 204 L CA 0.730 55.634 54.840 0.106 0.000 0.779 204 L CB -0.378 41.830 42.059 0.250 0.000 0.922 204 L HN 0.276 nan 8.230 nan 0.000 0.443 205 I N 0.492 121.080 120.570 0.031 0.000 2.118 205 I HA -0.237 3.925 4.170 -0.013 0.000 0.241 205 I C -0.287 175.810 176.117 -0.035 0.000 1.070 205 I CA 1.675 62.973 61.300 -0.004 0.000 1.327 205 I CB -1.317 36.688 38.000 0.008 0.000 1.034 205 I HN 0.240 nan 8.210 nan 0.000 0.405 206 P HA -0.101 nan 4.420 nan 0.000 0.221 206 P C 1.831 179.083 177.300 -0.080 0.000 1.150 206 P CA 1.544 64.605 63.100 -0.065 0.000 0.800 206 P CB -0.085 31.570 31.700 -0.076 0.000 0.787 207 I N -0.611 119.890 120.570 -0.115 0.000 2.252 207 I HA -0.193 3.969 4.170 -0.013 0.000 0.245 207 I C 2.547 178.630 176.117 -0.056 0.000 1.102 207 I CA 1.253 62.488 61.300 -0.108 0.000 1.385 207 I CB -0.587 37.315 38.000 -0.163 0.000 1.064 207 I HN -0.185 nan 8.210 nan 0.000 0.414 208 I N 0.637 121.183 120.570 -0.038 0.000 2.226 208 I HA -0.279 3.883 4.170 -0.013 0.000 0.245 208 I C 2.627 178.730 176.117 -0.023 0.000 1.100 208 I CA 1.324 62.612 61.300 -0.020 0.000 1.374 208 I CB -0.340 37.653 38.000 -0.012 0.000 1.057 208 I HN 0.248 nan 8.210 nan 0.000 0.413 209 E N 1.373 121.556 120.200 -0.029 0.000 2.023 209 E HA -0.321 4.021 4.350 -0.013 0.000 0.196 209 E C 2.132 178.717 176.600 -0.025 0.000 1.003 209 E CA 1.894 58.279 56.400 -0.026 0.000 0.809 209 E CB -0.328 29.356 29.700 -0.028 0.000 0.755 209 E HN 0.401 nan 8.360 nan 0.000 0.449 210 Q N -0.210 119.571 119.800 -0.032 0.000 2.096 210 Q HA -0.216 4.117 4.340 -0.013 0.000 0.208 210 Q C 2.163 178.148 176.000 -0.025 0.000 0.993 210 Q CA 2.162 57.946 55.803 -0.031 0.000 0.862 210 Q CB -0.069 28.645 28.738 -0.040 0.000 0.915 210 Q HN 0.218 nan 8.270 nan 0.000 0.416 211 R N -0.829 119.655 120.500 -0.025 0.000 2.275 211 R HA 0.050 4.382 4.340 -0.013 0.000 0.199 211 R C 2.147 178.438 176.300 -0.015 0.000 0.989 211 R CA 0.430 56.517 56.100 -0.020 0.000 1.016 211 R CB 0.131 30.418 30.300 -0.021 0.000 0.918 211 R HN 0.168 nan 8.270 nan 0.000 0.473 212 R N 0.648 121.140 120.500 -0.014 0.000 2.119 212 R HA -0.112 4.220 4.340 -0.013 0.000 0.222 212 R C 2.349 178.642 176.300 -0.011 0.000 1.088 212 R CA 1.322 57.416 56.100 -0.010 0.000 0.984 212 R CB 0.046 30.340 30.300 -0.009 0.000 0.884 212 R HN 0.262 nan 8.270 nan 0.000 0.447 213 Q N 0.932 120.724 119.800 -0.014 0.000 2.083 213 Q HA -0.088 4.244 4.340 -0.013 0.000 0.198 213 Q C 0.571 176.563 176.000 -0.013 0.000 0.969 213 Q CA 1.407 57.202 55.803 -0.013 0.000 0.838 213 Q CB 0.253 28.982 28.738 -0.014 0.000 0.900 213 Q HN -0.091 nan 8.270 nan 0.000 0.436 214 K N 1.402 121.793 120.400 -0.015 0.000 2.687 214 K HA 0.380 4.692 4.320 -0.013 0.000 0.197 214 K C -2.668 173.922 176.600 -0.015 0.000 1.049 214 K CA -2.511 53.767 56.287 -0.015 0.000 1.030 214 K CB 1.442 33.933 32.500 -0.016 0.000 1.261 214 K HN 0.102 nan 8.250 nan 0.000 0.565 215 P HA 0.073 nan 4.420 nan 0.000 0.268 215 P C -0.094 177.197 177.300 -0.016 0.000 1.204 215 P CA -0.101 62.991 63.100 -0.014 0.000 0.768 215 P CB 1.347 33.040 31.700 -0.012 0.000 0.842 216 G N 0.719 109.508 108.800 -0.018 0.000 2.828 216 G HA2 0.415 4.367 3.960 -0.013 0.000 0.244 216 G HA3 0.415 4.367 3.960 -0.013 0.000 0.244 216 G C 0.667 175.555 174.900 -0.021 0.000 1.365 216 G CA -0.224 44.864 45.100 -0.020 0.000 1.041 216 G HN 0.421 nan 8.290 nan 0.000 0.560 217 T N -1.528 113.011 114.554 -0.024 0.000 3.065 217 T HA 0.110 4.452 4.350 -0.013 0.000 0.252 217 T C 0.761 175.441 174.700 -0.033 0.000 1.099 217 T CA 0.624 62.709 62.100 -0.025 0.000 1.063 217 T CB -0.344 68.509 68.868 -0.024 0.000 0.948 217 T HN 0.615 nan 8.240 nan 0.000 0.506 218 D N 1.266 121.641 120.400 -0.041 0.000 2.363 218 D HA 0.259 4.891 4.640 -0.013 0.000 0.240 218 D C 1.444 177.710 176.300 -0.056 0.000 1.236 218 D CA 0.039 54.003 54.000 -0.060 0.000 0.927 218 D CB 1.259 42.019 40.800 -0.067 0.000 1.150 218 D HN 0.140 nan 8.370 nan 0.000 0.458 219 A N 0.927 123.697 122.820 -0.082 0.000 1.930 219 A HA -0.112 4.200 4.320 -0.013 0.000 0.217 219 A C 2.409 179.977 177.584 -0.026 0.000 1.175 219 A CA 0.894 52.896 52.037 -0.058 0.000 0.627 219 A CB -0.701 18.246 19.000 -0.090 0.000 0.815 219 A HN 0.658 nan 8.150 nan 0.000 0.443 220 I N -0.335 120.216 120.570 -0.032 0.000 2.226 220 I HA -0.222 3.940 4.170 -0.013 0.000 0.245 220 I C 2.661 178.777 176.117 -0.001 0.000 1.100 220 I CA 1.423 62.722 61.300 -0.001 0.000 1.374 220 I CB -0.328 37.674 38.000 0.003 0.000 1.057 220 I HN 0.227 nan 8.210 nan 0.000 0.413 221 S N 0.946 116.638 115.700 -0.014 0.000 2.368 221 S HA -0.134 4.328 4.470 -0.013 0.000 0.225 221 S C 2.004 176.601 174.600 -0.005 0.000 1.030 221 S CA 1.314 59.507 58.200 -0.011 0.000 0.999 221 S CB -0.321 62.868 63.200 -0.018 0.000 0.844 221 S HN 0.326 nan 8.310 nan 0.000 0.459 222 I N 0.991 121.557 120.570 -0.006 0.000 2.179 222 I HA -0.159 4.003 4.170 -0.013 0.000 0.242 222 I C 2.213 178.337 176.117 0.012 0.000 1.088 222 I CA 0.976 62.276 61.300 -0.000 0.000 1.357 222 I CB -0.544 37.453 38.000 -0.004 0.000 1.051 222 I HN 0.150 nan 8.210 nan 0.000 0.409 223 V N 1.058 120.985 119.914 0.022 0.000 2.295 223 V HA -0.277 3.835 4.120 -0.013 0.000 0.246 223 V C 2.678 178.795 176.094 0.038 0.000 1.049 223 V CA 2.068 64.392 62.300 0.041 0.000 1.024 223 V CB -0.957 30.899 31.823 0.055 0.000 0.648 223 V HN 0.506 nan 8.190 nan 0.000 0.447 224 A N 0.021 122.856 122.820 0.026 0.000 2.067 224 A HA -0.173 4.139 4.320 -0.013 0.000 0.219 224 A C 1.719 179.312 177.584 0.015 0.000 1.158 224 A CA 1.972 54.022 52.037 0.020 0.000 0.661 224 A CB -0.612 18.393 19.000 0.010 0.000 0.801 224 A HN 0.703 nan 8.150 nan 0.000 0.452 225 N N -0.821 117.885 118.700 0.011 0.000 2.214 225 N HA 0.299 5.031 4.740 -0.013 0.000 0.214 225 N C 0.645 176.159 175.510 0.006 0.000 1.132 225 N CA 0.248 53.301 53.050 0.005 0.000 0.856 225 N CB 0.720 39.207 38.487 -0.001 0.000 1.020 225 N HN 0.404 nan 8.380 nan 0.000 0.509 226 G N -0.073 108.736 108.800 0.014 0.000 2.580 226 G HA2 0.339 4.291 3.960 -0.013 0.000 0.278 226 G HA3 0.339 4.291 3.960 -0.013 0.000 0.278 226 G C -0.482 174.419 174.900 0.003 0.000 1.212 226 G CA -0.313 44.794 45.100 0.011 0.000 0.939 226 G HN 0.099 nan 8.290 nan 0.000 0.513 227 Q N -1.365 118.428 119.800 -0.013 0.000 2.345 227 Q HA 0.512 4.844 4.340 -0.013 0.000 0.268 227 Q C -0.698 175.262 176.000 -0.066 0.000 1.054 227 Q CA -0.912 54.872 55.803 -0.033 0.000 0.835 227 Q CB 2.715 31.432 28.738 -0.036 0.000 1.339 227 Q HN 0.518 nan 8.270 nan 0.000 0.447 228 V N -0.261 119.585 119.914 -0.112 0.000 2.409 228 V HA 0.431 4.544 4.120 -0.013 0.000 0.291 228 V C -0.369 175.606 176.094 -0.198 0.000 1.020 228 V CA -1.057 61.111 62.300 -0.220 0.000 0.848 228 V CB 1.324 32.864 31.823 -0.472 0.000 0.990 228 V HN 0.808 nan 8.190 nan 0.000 0.430 229 N N 3.833 122.432 118.700 -0.170 0.000 2.689 229 N HA -0.182 4.550 4.740 -0.013 0.000 0.263 229 N C 1.316 176.773 175.510 -0.089 0.000 0.987 229 N CA 1.976 54.953 53.050 -0.121 0.000 0.782 229 N CB -1.142 37.267 38.487 -0.130 0.000 0.903 229 N HN 2.019 nan 8.380 nan 0.000 0.547 230 G N -1.728 107.028 108.800 -0.073 0.000 2.179 230 G HA2 -0.363 3.589 3.960 -0.013 0.000 0.260 230 G HA3 -0.363 3.589 3.960 -0.013 0.000 0.260 230 G C 0.033 174.905 174.900 -0.046 0.000 0.977 230 G CA 0.696 45.765 45.100 -0.052 0.000 0.641 230 G HN 0.898 nan 8.290 nan 0.000 0.533 231 R N -0.277 120.189 120.500 -0.056 0.000 2.807 231 R HA 0.776 5.108 4.340 -0.013 0.000 0.276 231 R C -2.968 173.311 176.300 -0.035 0.000 0.979 231 R CA -2.484 53.591 56.100 -0.041 0.000 0.928 231 R CB 0.878 31.154 30.300 -0.039 0.000 1.191 231 R HN 0.065 nan 8.270 nan 0.000 0.471 232 P HA -0.001 nan 4.420 nan 0.000 0.265 232 P C -0.236 177.069 177.300 0.008 0.000 1.193 232 P CA -0.041 63.056 63.100 -0.006 0.000 0.765 232 P CB 0.627 32.326 31.700 -0.002 0.000 0.823 233 I N 2.991 123.575 120.570 0.023 0.000 2.634 233 I HA 0.030 4.192 4.170 -0.013 0.000 0.284 233 I C 1.050 177.200 176.117 0.055 0.000 1.124 233 I CA 0.036 61.375 61.300 0.065 0.000 1.417 233 I CB 0.873 38.927 38.000 0.089 0.000 1.396 233 I HN 0.417 nan 8.210 nan 0.000 0.571 234 T N 2.441 117.037 114.554 0.070 0.000 2.868 234 T HA 0.125 4.467 4.350 -0.013 0.000 0.292 234 T C 1.110 175.823 174.700 0.022 0.000 1.028 234 T CA -0.444 61.679 62.100 0.038 0.000 1.059 234 T CB 1.538 70.427 68.868 0.035 0.000 0.991 234 T HN 0.672 nan 8.240 nan 0.000 0.531 235 S N 0.620 116.321 115.700 0.001 0.000 2.365 235 S HA -0.170 4.292 4.470 -0.013 0.000 0.225 235 S C 1.704 176.278 174.600 -0.043 0.000 1.039 235 S CA 1.873 60.062 58.200 -0.017 0.000 1.033 235 S CB -0.757 62.429 63.200 -0.024 0.000 0.887 235 S HN 0.998 nan 8.310 nan 0.000 0.447 236 D N 0.619 120.987 120.400 -0.052 0.000 2.104 236 D HA -0.146 4.486 4.640 -0.013 0.000 0.194 236 D C 1.946 178.187 176.300 -0.099 0.000 0.994 236 D CA 1.549 55.490 54.000 -0.097 0.000 0.830 236 D CB -0.159 40.596 40.800 -0.076 0.000 0.959 236 D HN 0.463 nan 8.370 nan 0.000 0.452 237 E N -0.301 119.877 120.200 -0.038 0.000 2.077 237 E HA -0.141 4.201 4.350 -0.013 0.000 0.193 237 E C 2.179 178.774 176.600 -0.008 0.000 0.989 237 E CA 0.952 57.336 56.400 -0.026 0.000 0.800 237 E CB -0.216 29.546 29.700 0.103 0.000 0.746 237 E HN 0.386 nan 8.360 nan 0.000 0.452 238 A N 1.730 124.562 122.820 0.020 0.000 1.883 238 A HA -0.287 4.025 4.320 -0.013 0.000 0.217 238 A C 2.066 179.656 177.584 0.011 0.000 1.186 238 A CA 1.844 53.899 52.037 0.030 0.000 0.624 238 A CB -0.479 18.536 19.000 0.025 0.000 0.822 238 A HN 0.090 nan 8.150 nan 0.000 0.444 239 K N -0.455 119.918 120.400 -0.044 0.000 2.032 239 K HA -0.205 4.107 4.320 -0.013 0.000 0.209 239 K C 2.322 178.909 176.600 -0.022 0.000 1.048 239 K CA 1.643 57.880 56.287 -0.082 0.000 0.927 239 K CB -0.180 32.163 32.500 -0.261 0.000 0.712 239 K HN 0.510 nan 8.250 nan 0.000 0.441 240 R N 0.328 120.787 120.500 -0.068 0.000 2.070 240 R HA -0.103 4.230 4.340 -0.013 0.000 0.227 240 R C 2.423 178.841 176.300 0.196 0.000 1.147 240 R CA 1.616 57.788 56.100 0.119 0.000 0.924 240 R CB -0.544 29.750 30.300 -0.010 0.000 0.827 240 R HN 0.227 nan 8.270 nan 0.000 0.431 241 M N 0.683 120.325 119.600 0.071 0.000 5.579 241 M HA -0.422 4.050 4.480 -0.013 0.000 0.326 241 M C 2.153 178.503 176.300 0.084 0.000 0.956 241 M CA 2.286 57.628 55.300 0.070 0.000 1.026 241 M CB -0.639 31.998 32.600 0.062 0.000 1.184 241 M HN 0.396 nan 8.290 nan 0.000 0.847 242 C N 0.327 119.684 119.300 0.095 0.000 2.391 242 C HA -0.233 4.219 4.460 -0.013 0.000 0.276 242 C C 2.641 177.689 174.990 0.096 0.000 1.191 242 C CA 1.126 60.210 59.018 0.109 0.000 1.808 242 C CB -2.336 25.476 27.740 0.119 0.000 2.095 242 C HN 0.931 nan 8.230 nan 0.000 0.478 243 G N -0.172 108.718 108.800 0.150 0.000 2.459 243 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.217 243 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.217 243 G C 1.445 176.000 174.900 -0.575 0.000 1.183 243 G CA 1.097 46.232 45.100 0.059 0.000 0.776 243 G HN 0.500 nan 8.290 nan 0.000 0.552 244 L N 0.529 121.366 121.223 -0.644 0.000 2.042 244 L HA 0.030 4.362 4.340 -0.013 0.000 0.210 244 L C 2.741 179.385 176.870 -0.376 0.000 1.076 244 L CA 1.437 55.834 54.840 -0.738 0.000 0.749 244 L CB -0.412 41.479 42.059 -0.281 0.000 0.893 244 L HN 0.234 nan 8.230 nan 0.000 0.432 245 L N -1.319 119.809 121.223 -0.157 0.000 2.083 245 L HA -0.245 4.087 4.340 -0.013 0.000 0.209 245 L C 2.507 179.245 176.870 -0.221 0.000 1.083 245 L CA 1.165 55.977 54.840 -0.046 0.000 0.752 245 L CB -0.624 41.543 42.059 0.181 0.000 0.899 245 L HN 0.330 nan 8.230 nan 0.000 0.433 246 L N -1.003 120.132 121.223 -0.148 0.000 2.017 246 L HA -0.198 4.134 4.340 -0.013 0.000 0.208 246 L C 2.598 179.203 176.870 -0.442 0.000 1.073 246 L CA 1.027 55.701 54.840 -0.277 0.000 0.745 246 L CB -0.776 41.247 42.059 -0.061 0.000 0.894 246 L HN 0.097 nan 8.230 nan 0.000 0.432 247 V N 0.328 120.012 119.914 -0.384 0.000 2.287 247 V HA -0.294 3.818 4.120 -0.013 0.000 0.248 247 V C 2.823 178.752 176.094 -0.274 0.000 1.053 247 V CA 2.480 64.597 62.300 -0.304 0.000 1.027 247 V CB -1.028 30.616 31.823 -0.299 0.000 0.646 247 V HN 0.689 nan 8.190 nan 0.000 0.447 248 T N -1.514 112.862 114.554 -0.297 0.000 2.867 248 T HA -0.068 4.274 4.350 -0.013 0.000 0.268 248 T C 1.892 176.389 174.700 -0.337 0.000 1.057 248 T CA 1.495 63.461 62.100 -0.224 0.000 1.136 248 T CB -0.612 68.168 68.868 -0.147 0.000 0.874 248 T HN 0.477 nan 8.240 nan 0.000 0.466 249 G N 0.666 109.045 108.800 -0.701 0.000 2.464 249 G HA2 0.133 4.085 3.960 -0.013 0.000 0.217 249 G HA3 0.133 4.085 3.960 -0.013 0.000 0.217 249 G C 1.232 175.807 174.900 -0.543 0.000 1.138 249 G CA 0.315 44.836 45.100 -0.965 0.000 0.793 249 G HN 0.470 nan 8.290 nan 0.000 0.539 250 L N -0.462 120.500 121.223 -0.436 0.000 2.616 250 L HA 0.373 4.705 4.340 -0.013 0.000 0.229 250 L C 1.483 178.270 176.870 -0.138 0.000 1.110 250 L CA 0.783 55.480 54.840 -0.240 0.000 0.884 250 L CB 0.917 42.845 42.059 -0.218 0.000 1.115 250 L HN 0.050 nan 8.230 nan 0.000 0.481 251 D N -2.145 118.185 120.400 -0.117 0.000 2.929 251 D HA -0.026 4.606 4.640 -0.013 0.000 0.291 251 D C 2.049 178.347 176.300 -0.004 0.000 1.086 251 D CA 1.293 55.264 54.000 -0.049 0.000 0.971 251 D CB 0.474 41.257 40.800 -0.028 0.000 1.275 251 D HN 0.173 nan 8.370 nan 0.000 0.469 252 T N -1.107 113.448 114.554 0.002 0.000 2.770 252 T HA -0.048 4.295 4.350 -0.013 0.000 0.263 252 T C 2.089 176.855 174.700 0.110 0.000 1.039 252 T CA 1.163 63.295 62.100 0.053 0.000 1.142 252 T CB -0.793 68.097 68.868 0.037 0.000 0.868 252 T HN -0.058 nan 8.240 nan 0.000 0.435 253 V N 1.662 121.630 119.914 0.091 0.000 2.343 253 V HA -0.138 3.974 4.120 -0.013 0.000 0.247 253 V C 2.936 179.138 176.094 0.180 0.000 1.051 253 V CA 1.182 63.582 62.300 0.166 0.000 1.036 253 V CB -0.833 31.061 31.823 0.118 0.000 0.654 253 V HN 0.355 nan 8.190 nan 0.000 0.451 254 V N 0.849 120.812 119.914 0.081 0.000 2.278 254 V HA -0.320 3.792 4.120 -0.013 0.000 0.251 254 V C 2.300 178.422 176.094 0.047 0.000 1.062 254 V CA 2.466 64.792 62.300 0.044 0.000 1.038 254 V CB -0.783 31.032 31.823 -0.015 0.000 0.646 254 V HN 0.614 nan 8.190 nan 0.000 0.447 255 N N -0.934 117.796 118.700 0.050 0.000 2.250 255 N HA -0.091 4.641 4.740 -0.013 0.000 0.181 255 N C 1.789 177.315 175.510 0.026 0.000 1.017 255 N CA 1.390 54.422 53.050 -0.030 0.000 0.866 255 N CB -0.287 38.205 38.487 0.009 0.000 0.985 255 N HN 0.545 nan 8.380 nan 0.000 0.429 256 F N 2.341 122.353 119.950 0.103 0.000 2.134 256 F HA -0.092 4.428 4.527 -0.012 0.000 0.299 256 F C 2.176 178.066 175.800 0.150 0.000 1.097 256 F CA 0.995 59.115 58.000 0.200 0.000 1.264 256 F CB -0.214 38.859 39.000 0.123 0.000 1.001 256 F HN -0.089 nan 8.300 nan 0.000 0.479 257 L N -0.499 120.796 121.223 0.121 0.000 2.043 257 L HA -0.307 4.025 4.340 -0.013 0.000 0.212 257 L C 2.527 179.417 176.870 0.034 0.000 1.075 257 L CA 1.663 56.576 54.840 0.122 0.000 0.752 257 L CB -0.981 41.299 42.059 0.368 0.000 0.891 257 L HN 0.119 nan 8.230 nan 0.000 0.432 258 S N -0.640 115.072 115.700 0.019 0.000 2.368 258 S HA -0.109 4.353 4.470 -0.013 0.000 0.224 258 S C 1.754 176.155 174.600 -0.332 0.000 1.029 258 S CA 1.115 59.271 58.200 -0.074 0.000 0.988 258 S CB -0.328 62.803 63.200 -0.115 0.000 0.838 258 S HN 0.209 nan 8.310 nan 0.000 0.462 259 F N 2.181 121.909 119.950 -0.371 0.000 2.126 259 F HA -0.100 4.418 4.527 -0.014 0.000 0.299 259 F C 2.788 178.067 175.800 -0.868 0.000 1.096 259 F CA 0.917 58.556 58.000 -0.603 0.000 1.255 259 F CB -0.988 37.665 39.000 -0.579 0.000 0.997 259 F HN 0.102 nan 8.300 nan 0.000 0.479 260 S N -0.531 114.792 115.700 -0.629 0.000 2.368 260 S HA -0.154 4.308 4.470 -0.013 0.000 0.224 260 S C 2.104 176.498 174.600 -0.344 0.000 1.029 260 S CA 1.104 58.980 58.200 -0.538 0.000 0.988 260 S CB -0.202 62.698 63.200 -0.500 0.000 0.838 260 S HN 0.184 nan 8.310 nan 0.000 0.462 261 M N 1.115 120.447 119.600 -0.447 0.000 2.254 261 M HA 0.031 4.503 4.480 -0.013 0.000 0.265 261 M C 2.149 178.239 176.300 -0.351 0.000 1.066 261 M CA 0.995 55.954 55.300 -0.567 0.000 1.123 261 M CB -1.134 30.674 32.600 -1.320 0.000 1.388 261 M HN 0.420 nan 8.290 nan 0.000 0.425 262 E N 0.056 120.076 120.200 -0.300 0.000 2.058 262 E HA -0.249 4.093 4.350 -0.013 0.000 0.194 262 E C 1.994 178.520 176.600 -0.123 0.000 0.997 262 E CA 1.398 57.704 56.400 -0.156 0.000 0.801 262 E CB -0.221 29.430 29.700 -0.080 0.000 0.746 262 E HN 0.401 nan 8.360 nan 0.000 0.450 263 F N 0.731 120.483 119.950 -0.330 0.000 2.095 263 F HA -0.237 4.282 4.527 -0.013 0.000 0.298 263 F C 1.951 177.658 175.800 -0.155 0.000 1.104 263 F CA 0.974 58.829 58.000 -0.241 0.000 1.232 263 F CB -0.107 38.690 39.000 -0.339 0.000 0.987 263 F HN 0.086 nan 8.300 nan 0.000 0.475 264 L N 0.790 121.852 121.223 -0.267 0.000 2.046 264 L HA -0.118 4.214 4.340 -0.013 0.000 0.208 264 L C 2.767 179.342 176.870 -0.491 0.000 1.077 264 L CA 1.821 56.472 54.840 -0.314 0.000 0.747 264 L CB -2.029 40.031 42.059 0.001 0.000 0.896 264 L HN 0.303 nan 8.230 nan 0.000 0.432 265 A N -0.989 121.620 122.820 -0.352 0.000 1.972 265 A HA -0.209 4.103 4.320 -0.013 0.000 0.219 265 A C 2.241 179.618 177.584 -0.345 0.000 1.169 265 A CA 1.545 53.331 52.037 -0.418 0.000 0.635 265 A CB -0.355 18.635 19.000 -0.017 0.000 0.810 265 A HN 0.424 nan 8.150 nan 0.000 0.446 266 K N -0.961 119.248 120.400 -0.319 0.000 2.393 266 K HA 0.138 4.450 4.320 -0.013 0.000 0.193 266 K C 0.272 176.682 176.600 -0.317 0.000 1.026 266 K CA 0.456 56.592 56.287 -0.252 0.000 1.064 266 K CB 0.327 32.727 32.500 -0.166 0.000 0.833 266 K HN 0.224 nan 8.250 nan 0.000 0.521 267 S N 1.220 116.640 115.700 -0.468 0.000 2.158 267 S HA 0.259 4.721 4.470 -0.013 0.000 0.160 267 S C -2.307 172.144 174.600 -0.249 0.000 1.693 267 S CA -1.719 56.237 58.200 -0.406 0.000 1.251 267 S CB 0.605 63.311 63.200 -0.822 0.000 1.153 267 S HN -0.106 nan 8.310 nan 0.000 0.439 268 P HA -0.135 nan 4.420 nan 0.000 0.216 268 P C 0.885 178.140 177.300 -0.075 0.000 1.150 268 P CA 1.218 64.231 63.100 -0.145 0.000 0.843 268 P CB 0.189 31.822 31.700 -0.113 0.000 0.787 269 E N -1.598 118.569 120.200 -0.056 0.000 2.077 269 E HA -0.211 4.131 4.350 -0.013 0.000 0.193 269 E C 1.888 178.436 176.600 -0.085 0.000 0.989 269 E CA 1.344 57.701 56.400 -0.072 0.000 0.800 269 E CB -1.140 28.502 29.700 -0.097 0.000 0.746 269 E HN 0.473 nan 8.360 nan 0.000 0.452 270 H N 0.096 119.130 119.070 -0.060 0.000 2.395 270 H HA 0.136 4.684 4.556 -0.013 0.000 0.299 270 H C 1.943 177.383 175.328 0.186 0.000 1.070 270 H CA 1.266 57.346 56.048 0.053 0.000 1.356 270 H CB 0.141 29.902 29.762 -0.002 0.000 1.401 270 H HN 0.002 nan 8.280 nan 0.000 0.524 271 R N 0.405 120.994 120.500 0.148 0.000 2.080 271 R HA -0.195 4.137 4.340 -0.013 0.000 0.236 271 R C 2.290 178.651 176.300 0.101 0.000 1.137 271 R CA 1.525 57.688 56.100 0.104 0.000 0.943 271 R CB -0.345 29.933 30.300 -0.037 0.000 0.846 271 R HN 0.451 nan 8.270 nan 0.000 0.431 272 Q N 1.110 120.940 119.800 0.050 0.000 2.133 272 Q HA -0.276 4.056 4.340 -0.013 0.000 0.208 272 Q C 2.045 178.085 176.000 0.067 0.000 0.991 272 Q CA 2.081 57.907 55.803 0.039 0.000 0.867 272 Q CB -0.045 28.697 28.738 0.007 0.000 0.911 272 Q HN 0.418 nan 8.270 nan 0.000 0.417 273 E N -0.171 120.089 120.200 0.099 0.000 2.077 273 E HA -0.191 4.151 4.350 -0.013 0.000 0.193 273 E C 2.048 178.737 176.600 0.148 0.000 0.989 273 E CA 1.184 57.662 56.400 0.130 0.000 0.800 273 E CB -0.103 29.708 29.700 0.185 0.000 0.746 273 E HN 0.461 nan 8.360 nan 0.000 0.452 274 L N 0.385 121.713 121.223 0.175 0.000 2.240 274 L HA -0.054 4.278 4.340 -0.013 0.000 0.211 274 L C 2.422 179.337 176.870 0.075 0.000 1.106 274 L CA 0.366 55.270 54.840 0.107 0.000 0.793 274 L CB -0.187 41.930 42.059 0.096 0.000 0.927 274 L HN 0.235 nan 8.230 nan 0.000 0.446 275 I N -0.075 120.542 120.570 0.078 0.000 2.252 275 I HA -0.246 3.916 4.170 -0.013 0.000 0.245 275 I C 2.306 178.449 176.117 0.043 0.000 1.102 275 I CA 1.402 62.735 61.300 0.056 0.000 1.385 275 I CB -0.073 37.958 38.000 0.052 0.000 1.064 275 I HN 0.244 nan 8.210 nan 0.000 0.414 276 E N 0.349 120.576 120.200 0.046 0.000 2.216 276 E HA -0.038 4.304 4.350 -0.013 0.000 0.192 276 E C 0.518 177.141 176.600 0.039 0.000 0.988 276 E CA 0.521 56.943 56.400 0.037 0.000 0.834 276 E CB 0.273 29.993 29.700 0.035 0.000 0.772 276 E HN 0.316 nan 8.360 nan 0.000 0.479 277 R N 0.517 121.047 120.500 0.049 0.000 2.681 277 R HA 0.126 4.458 4.340 -0.013 0.000 0.277 277 R C -2.112 174.212 176.300 0.040 0.000 1.563 277 R CA -0.988 55.140 56.100 0.046 0.000 1.673 277 R CB 0.981 31.316 30.300 0.057 0.000 1.258 277 R HN 0.013 nan 8.270 nan 0.000 0.650 278 P HA -0.221 nan 4.420 nan 0.000 0.222 278 P C 0.724 178.034 177.300 0.017 0.000 1.147 278 P CA 1.127 64.242 63.100 0.024 0.000 0.790 278 P CB 0.441 32.155 31.700 0.024 0.000 0.780 279 E N 1.279 121.492 120.200 0.021 0.000 2.333 279 E HA -0.180 4.162 4.350 -0.013 0.000 0.198 279 E C 1.581 178.191 176.600 0.016 0.000 1.007 279 E CA 0.873 57.285 56.400 0.020 0.000 0.845 279 E CB -0.722 28.992 29.700 0.024 0.000 0.766 279 E HN 0.309 nan 8.360 nan 0.000 0.507 280 R N 0.216 120.724 120.500 0.012 0.000 2.299 280 R HA 0.233 4.565 4.340 -0.013 0.000 0.197 280 R C 2.369 178.629 176.300 -0.068 0.000 0.971 280 R CA 0.231 56.330 56.100 -0.001 0.000 1.030 280 R CB -0.191 30.128 30.300 0.033 0.000 0.932 280 R HN 0.211 nan 8.270 nan 0.000 0.477 281 I N 1.564 122.098 120.570 -0.059 0.000 2.151 281 I HA -0.247 3.915 4.170 -0.013 0.000 0.243 281 I C -0.792 175.286 176.117 -0.065 0.000 1.080 281 I CA 1.603 62.851 61.300 -0.087 0.000 1.339 281 I CB -1.127 36.855 38.000 -0.031 0.000 1.039 281 I HN 0.055 nan 8.210 nan 0.000 0.409 282 P HA -0.194 nan 4.420 nan 0.000 0.215 282 P C 1.507 178.816 177.300 0.015 0.000 1.157 282 P CA 1.974 65.085 63.100 0.019 0.000 0.868 282 P CB -0.048 31.673 31.700 0.033 0.000 0.788 283 A N -0.176 122.646 122.820 0.003 0.000 1.933 283 A HA -0.117 4.195 4.320 -0.013 0.000 0.218 283 A C 2.315 179.892 177.584 -0.012 0.000 1.175 283 A CA 2.084 54.136 52.037 0.025 0.000 0.628 283 A CB -1.602 17.428 19.000 0.050 0.000 0.814 283 A HN 0.194 nan 8.150 nan 0.000 0.444 284 A N -0.898 121.808 122.820 -0.190 0.000 1.902 284 A HA -0.217 4.095 4.320 -0.013 0.000 0.217 284 A C 2.418 179.903 177.584 -0.166 0.000 1.181 284 A CA 1.701 53.425 52.037 -0.521 0.000 0.623 284 A CB -1.507 16.785 19.000 -1.180 0.000 0.818 284 A HN 0.940 nan 8.150 nan 0.000 0.443 285 C N -0.489 118.776 119.300 -0.058 0.000 2.398 285 C HA -0.166 4.286 4.460 -0.013 0.000 0.276 285 C C 2.575 177.632 174.990 0.111 0.000 1.222 285 C CA 1.974 61.045 59.018 0.088 0.000 1.746 285 C CB -1.140 26.663 27.740 0.105 0.000 2.039 285 C HN 0.687 nan 8.230 nan 0.000 0.470 286 E N 0.592 120.845 120.200 0.088 0.000 2.077 286 E HA -0.193 4.149 4.350 -0.013 0.000 0.193 286 E C 2.054 178.695 176.600 0.067 0.000 0.989 286 E CA 1.841 58.300 56.400 0.099 0.000 0.800 286 E CB -0.374 29.413 29.700 0.144 0.000 0.746 286 E HN 0.790 nan 8.360 nan 0.000 0.452 287 E N -0.208 120.057 120.200 0.108 0.000 2.150 287 E HA -0.094 4.248 4.350 -0.013 0.000 0.193 287 E C 1.822 178.458 176.600 0.059 0.000 0.985 287 E CA 0.956 57.420 56.400 0.107 0.000 0.814 287 E CB -0.197 29.645 29.700 0.236 0.000 0.752 287 E HN 0.345 nan 8.360 nan 0.000 0.466 288 L N -0.178 121.147 121.223 0.171 0.000 2.109 288 L HA -0.052 4.280 4.340 -0.013 0.000 0.207 288 L C 2.406 179.503 176.870 0.377 0.000 1.086 288 L CA 0.564 55.579 54.840 0.292 0.000 0.760 288 L CB -0.321 41.968 42.059 0.382 0.000 0.910 288 L HN 0.191 nan 8.230 nan 0.000 0.437 289 L N -0.392 120.953 121.223 0.203 0.000 2.131 289 L HA -0.218 4.114 4.340 -0.013 0.000 0.210 289 L C 2.871 179.497 176.870 -0.406 0.000 1.092 289 L CA 1.159 55.852 54.840 -0.246 0.000 0.759 289 L CB -0.416 41.292 42.059 -0.585 0.000 0.903 289 L HN 0.266 nan 8.230 nan 0.000 0.435 290 R N 0.164 120.449 120.500 -0.359 0.000 2.061 290 R HA -0.203 4.129 4.340 -0.013 0.000 0.230 290 R C 2.482 178.601 176.300 -0.303 0.000 1.140 290 R CA 1.581 57.500 56.100 -0.302 0.000 0.940 290 R CB -0.101 30.120 30.300 -0.132 0.000 0.839 290 R HN 0.066 nan 8.270 nan 0.000 0.429 291 R N -0.120 120.151 120.500 -0.381 0.000 2.092 291 R HA -0.055 4.277 4.340 -0.013 0.000 0.231 291 R C 0.734 176.466 176.300 -0.947 0.000 1.119 291 R CA 1.554 57.219 56.100 -0.725 0.000 0.970 291 R CB -0.169 29.505 30.300 -1.044 0.000 0.864 291 R HN 0.252 nan 8.270 nan 0.000 0.440 292 F N 0.272 120.104 119.950 -0.197 0.000 2.850 292 F HA 0.396 4.914 4.527 -0.014 0.000 0.306 292 F C 0.472 176.128 175.800 -0.240 0.000 1.162 292 F CA -0.547 57.269 58.000 -0.307 0.000 1.327 292 F CB 0.297 39.115 39.000 -0.303 0.000 0.953 292 F HN -0.121 nan 8.300 nan 0.000 0.507 293 S N 1.691 117.278 115.700 -0.187 0.000 2.563 293 S HA 0.181 4.643 4.470 -0.013 0.000 0.284 293 S C 0.891 175.308 174.600 -0.306 0.000 1.331 293 S CA 0.030 58.079 58.200 -0.252 0.000 1.047 293 S CB 0.523 63.541 63.200 -0.303 0.000 0.859 293 S HN 0.565 nan 8.310 nan 0.000 0.514 294 L N 2.022 123.088 121.223 -0.262 0.000 3.515 294 L HA 0.571 4.903 4.340 -0.013 0.000 0.322 294 L C -0.842 175.881 176.870 -0.246 0.000 1.225 294 L CA -0.512 54.185 54.840 -0.237 0.000 1.104 294 L CB 0.238 42.313 42.059 0.026 0.000 1.506 294 L HN 0.342 nan 8.230 nan 0.000 0.624 295 V N 1.993 121.751 119.914 -0.260 0.000 2.532 295 V HA 0.836 4.948 4.120 -0.013 0.000 0.295 295 V C 0.264 176.178 176.094 -0.300 0.000 1.041 295 V CA 0.086 62.250 62.300 -0.226 0.000 0.926 295 V CB 1.464 33.200 31.823 -0.145 0.000 0.992 295 V HN 0.341 nan 8.190 nan 0.000 0.457 296 A N 3.416 126.070 122.820 -0.277 0.000 2.679 296 A HA 0.668 4.980 4.320 -0.013 0.000 0.288 296 A C -0.627 176.866 177.584 -0.152 0.000 1.160 296 A CA -0.646 51.255 52.037 -0.225 0.000 0.763 296 A CB 0.562 19.335 19.000 -0.377 0.000 1.270 296 A HN 0.843 nan 8.150 nan 0.000 0.417 297 D N 1.456 121.815 120.400 -0.068 0.000 2.607 297 D HA 0.862 5.495 4.640 -0.013 0.000 0.253 297 D C 0.559 176.884 176.300 0.042 0.000 1.171 297 D CA 0.084 54.044 54.000 -0.066 0.000 1.084 297 D CB 0.946 41.732 40.800 -0.024 0.000 1.203 297 D HN 0.951 nan 8.370 nan 0.000 0.629 298 G N -1.933 106.904 108.800 0.061 0.000 2.500 298 G HA2 0.527 4.479 3.960 -0.013 0.000 0.299 298 G HA3 0.527 4.479 3.960 -0.013 0.000 0.299 298 G C -1.242 173.682 174.900 0.042 0.000 1.242 298 G CA -0.759 44.359 45.100 0.029 0.000 0.859 298 G HN 0.472 nan 8.290 nan 0.000 0.481 299 R N -1.273 119.247 120.500 0.033 0.000 2.795 299 R HA 0.662 4.994 4.340 -0.013 0.000 0.268 299 R C -1.466 174.914 176.300 0.134 0.000 1.041 299 R CA -0.727 55.427 56.100 0.090 0.000 0.927 299 R CB 1.732 32.113 30.300 0.134 0.000 1.235 299 R HN 0.646 nan 8.270 nan 0.000 0.463 300 I N 1.190 121.846 120.570 0.144 0.000 2.608 300 I HA 0.293 4.455 4.170 -0.013 0.000 0.295 300 I C -0.777 175.416 176.117 0.127 0.000 1.049 300 I CA -1.066 60.321 61.300 0.144 0.000 1.063 300 I CB 1.451 39.510 38.000 0.098 0.000 1.248 300 I HN 0.220 nan 8.210 nan 0.000 0.424 301 L N 6.403 127.701 121.223 0.125 0.000 2.360 301 L HA 0.160 4.493 4.340 -0.013 0.000 0.276 301 L C 1.533 178.403 176.870 0.000 0.000 1.121 301 L CA 0.400 55.248 54.840 0.015 0.000 0.845 301 L CB 1.028 43.121 42.059 0.056 0.000 1.143 301 L HN 0.815 nan 8.230 nan 0.000 0.452 302 T N -1.462 113.056 114.554 -0.060 0.000 3.067 302 T HA 0.050 4.392 4.350 -0.013 0.000 0.261 302 T C 0.742 175.425 174.700 -0.029 0.000 1.110 302 T CA 0.473 62.550 62.100 -0.039 0.000 1.113 302 T CB 0.136 68.959 68.868 -0.075 0.000 0.917 302 T HN 0.611 nan 8.240 nan 0.000 0.499 303 S N -0.113 115.573 115.700 -0.023 0.000 2.588 303 S HA 0.469 4.931 4.470 -0.013 0.000 0.269 303 S C -1.964 172.651 174.600 0.026 0.000 1.157 303 S CA -1.147 57.057 58.200 0.007 0.000 0.824 303 S CB 1.150 64.359 63.200 0.015 0.000 1.126 303 S HN 0.050 nan 8.310 nan 0.000 0.464 304 D N 1.198 121.616 120.400 0.029 0.000 2.525 304 D HA 0.360 4.992 4.640 -0.013 0.000 0.235 304 D C -0.859 175.500 176.300 0.099 0.000 1.137 304 D CA 1.218 55.242 54.000 0.039 0.000 0.868 304 D CB -0.112 40.698 40.800 0.017 0.000 1.180 304 D HN 0.524 nan 8.370 nan 0.000 0.465 305 Y N 0.650 120.876 120.300 -0.123 0.000 2.436 305 Y HA 0.172 4.715 4.550 -0.013 0.000 0.327 305 Y C -1.106 174.720 175.900 -0.124 0.000 1.138 305 Y CA -1.090 56.881 58.100 -0.214 0.000 1.042 305 Y CB 1.324 39.498 38.460 -0.476 0.000 1.302 305 Y HN 0.351 nan 8.280 nan 0.000 0.439 306 E N 6.053 125.981 120.200 -0.453 0.000 2.167 306 E HA 0.371 4.713 4.350 -0.013 0.000 0.284 306 E C -1.949 174.230 176.600 -0.702 0.000 1.016 306 E CA -0.427 55.722 56.400 -0.418 0.000 0.817 306 E CB 0.600 30.161 29.700 -0.231 0.000 1.080 306 E HN 0.446 nan 8.360 nan 0.000 0.397 307 F N 5.430 125.011 119.950 -0.615 0.000 2.499 307 F HA 0.257 4.776 4.527 -0.013 0.000 0.333 307 F C -0.415 175.309 175.800 -0.126 0.000 1.138 307 F CA -0.622 57.122 58.000 -0.427 0.000 0.945 307 F CB 0.606 39.483 39.000 -0.206 0.000 1.181 307 F HN 0.676 nan 8.300 nan 0.000 0.435 308 H N 4.127 122.844 119.070 -0.588 0.000 2.626 308 H HA -0.192 4.356 4.556 -0.013 0.000 0.317 308 H C 1.397 176.567 175.328 -0.264 0.000 1.140 308 H CA 1.081 56.851 56.048 -0.463 0.000 1.134 308 H CB -1.033 28.364 29.762 -0.608 0.000 1.486 308 H HN 1.198 nan 8.280 nan 0.000 0.417 309 G N -0.962 107.738 108.800 -0.167 0.000 2.168 309 G HA2 -0.314 3.638 3.960 -0.013 0.000 0.263 309 G HA3 -0.314 3.638 3.960 -0.013 0.000 0.263 309 G C 0.253 175.114 174.900 -0.064 0.000 0.977 309 G CA 0.378 45.419 45.100 -0.098 0.000 0.659 309 G HN 0.484 nan 8.290 nan 0.000 0.533 310 V N 1.249 121.104 119.914 -0.098 0.000 2.495 310 V HA 0.484 4.596 4.120 -0.013 0.000 0.298 310 V C -0.054 175.964 176.094 -0.126 0.000 1.031 310 V CA -1.076 61.162 62.300 -0.103 0.000 0.871 310 V CB 1.915 33.620 31.823 -0.197 0.000 0.988 310 V HN 0.265 nan 8.190 nan 0.000 0.432 311 Q N 4.880 124.659 119.800 -0.035 0.000 2.344 311 Q HA 0.434 4.766 4.340 -0.013 0.000 0.253 311 Q C -0.712 175.345 176.000 0.095 0.000 1.050 311 Q CA 0.072 55.887 55.803 0.021 0.000 0.912 311 Q CB 1.110 29.901 28.738 0.089 0.000 1.258 311 Q HN 0.571 nan 8.270 nan 0.000 0.443 312 L N 2.052 123.267 121.223 -0.014 0.000 2.334 312 L HA 0.434 4.766 4.340 -0.013 0.000 0.277 312 L C 0.297 177.238 176.870 0.117 0.000 1.075 312 L CA -0.737 54.146 54.840 0.071 0.000 0.804 312 L CB 0.720 42.736 42.059 -0.072 0.000 1.174 312 L HN 0.180 nan 8.230 nan 0.000 0.438 313 K N 1.966 122.461 120.400 0.158 0.000 2.156 313 K HA 0.274 4.586 4.320 -0.013 0.000 0.254 313 K C -0.546 176.083 176.600 0.048 0.000 0.950 313 K CA -0.747 55.507 56.287 -0.055 0.000 0.849 313 K CB 1.467 33.660 32.500 -0.511 0.000 1.100 313 K HN 0.303 nan 8.250 nan 0.000 0.434 314 K N 1.019 121.427 120.400 0.013 0.000 2.530 314 K HA 0.010 4.322 4.320 -0.013 0.000 0.280 314 K C 0.607 177.248 176.600 0.068 0.000 1.004 314 K CA 1.566 57.874 56.287 0.035 0.000 1.071 314 K CB -0.159 32.349 32.500 0.015 0.000 0.876 314 K HN 0.723 nan 8.250 nan 0.000 0.487 315 G N 3.009 111.866 108.800 0.095 0.000 2.225 315 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.254 315 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.254 315 G C -0.382 174.637 174.900 0.197 0.000 0.988 315 G CA 0.210 45.383 45.100 0.121 0.000 0.625 315 G HN 0.753 nan 8.290 nan 0.000 0.527 316 D N 1.803 122.374 120.400 0.284 0.000 2.455 316 D HA 0.361 4.993 4.640 -0.013 0.000 0.241 316 D C 0.998 177.538 176.300 0.400 0.000 1.138 316 D CA 0.549 54.828 54.000 0.464 0.000 0.877 316 D CB 0.478 41.734 40.800 0.759 0.000 1.187 316 D HN 0.558 nan 8.370 nan 0.000 0.451 317 Q N 1.062 121.073 119.800 0.352 0.000 2.259 317 Q HA 0.511 4.843 4.340 -0.013 0.000 0.249 317 Q C -0.177 176.043 176.000 0.367 0.000 0.914 317 Q CA -0.415 55.544 55.803 0.260 0.000 0.904 317 Q CB 2.078 30.890 28.738 0.124 0.000 1.213 317 Q HN 0.477 nan 8.270 nan 0.000 0.428 318 I N 2.738 123.480 120.570 0.288 0.000 2.439 318 I HA 0.222 4.385 4.170 -0.013 0.000 0.285 318 I C -1.453 174.727 176.117 0.104 0.000 1.021 318 I CA -1.106 60.365 61.300 0.285 0.000 1.091 318 I CB 1.071 39.225 38.000 0.257 0.000 1.242 318 I HN 0.498 nan 8.210 nan 0.000 0.439 319 L N 8.315 129.613 121.223 0.126 0.000 2.367 319 L HA 0.372 4.704 4.340 -0.013 0.000 0.275 319 L C -0.999 175.881 176.870 0.018 0.000 1.129 319 L CA 0.374 55.243 54.840 0.047 0.000 0.839 319 L CB 0.716 42.835 42.059 0.099 0.000 1.133 319 L HN 0.558 nan 8.230 nan 0.000 0.453 320 L N 7.585 128.780 121.223 -0.047 0.000 2.502 320 L HA 0.381 4.713 4.340 -0.013 0.000 0.247 320 L C -2.212 174.683 176.870 0.043 0.000 1.180 320 L CA -1.664 53.093 54.840 -0.137 0.000 0.956 320 L CB 0.874 42.570 42.059 -0.606 0.000 1.282 320 L HN 0.490 nan 8.230 nan 0.000 0.470 321 P HA 0.091 nan 4.420 nan 0.000 0.269 321 P C 0.266 177.549 177.300 -0.029 0.000 1.263 321 P CA -0.053 63.042 63.100 -0.009 0.000 0.813 321 P CB 0.969 32.687 31.700 0.030 0.000 0.868 322 Q N 2.795 122.582 119.800 -0.021 0.000 2.152 322 Q HA -0.220 4.112 4.340 -0.013 0.000 0.206 322 Q C 1.906 177.827 176.000 -0.130 0.000 0.985 322 Q CA 1.780 57.558 55.803 -0.042 0.000 0.863 322 Q CB -0.613 28.067 28.738 -0.095 0.000 0.904 322 Q HN 0.513 nan 8.270 nan 0.000 0.422 323 M N -0.354 119.103 119.600 -0.239 0.000 2.144 323 M HA -0.216 4.256 4.480 -0.013 0.000 0.260 323 M C 1.399 177.575 176.300 -0.207 0.000 1.067 323 M CA 1.559 56.682 55.300 -0.295 0.000 1.095 323 M CB -0.016 32.287 32.600 -0.495 0.000 1.365 323 M HN 0.291 nan 8.290 nan 0.000 0.406 324 L N -0.733 120.401 121.223 -0.148 0.000 2.240 324 L HA -0.108 4.224 4.340 -0.013 0.000 0.211 324 L C 2.378 179.197 176.870 -0.085 0.000 1.106 324 L CA 0.560 55.343 54.840 -0.095 0.000 0.793 324 L CB -0.469 41.558 42.059 -0.053 0.000 0.927 324 L HN 0.304 nan 8.230 nan 0.000 0.446 325 S N 0.376 116.032 115.700 -0.073 0.000 2.359 325 S HA -0.144 4.318 4.470 -0.013 0.000 0.224 325 S C 1.971 176.537 174.600 -0.056 0.000 1.035 325 S CA 1.468 59.630 58.200 -0.062 0.000 1.018 325 S CB -0.529 62.640 63.200 -0.052 0.000 0.876 325 S HN 0.598 nan 8.310 nan 0.000 0.448 326 G N 0.819 109.589 108.800 -0.051 0.000 2.572 326 G HA2 0.043 3.995 3.960 -0.013 0.000 0.216 326 G HA3 0.043 3.995 3.960 -0.013 0.000 0.216 326 G C 1.137 175.987 174.900 -0.083 0.000 1.133 326 G CA 0.136 45.212 45.100 -0.039 0.000 0.791 326 G HN 0.443 nan 8.290 nan 0.000 0.538 327 L N 0.301 121.461 121.223 -0.104 0.000 2.509 327 L HA 0.151 4.483 4.340 -0.013 0.000 0.222 327 L C 0.610 177.432 176.870 -0.080 0.000 1.123 327 L CA -0.214 54.560 54.840 -0.108 0.000 0.856 327 L CB -0.009 41.979 42.059 -0.118 0.000 0.985 327 L HN 0.036 nan 8.230 nan 0.000 0.456 328 D N 1.672 122.029 120.400 -0.072 0.000 2.358 328 D HA -0.071 4.561 4.640 -0.013 0.000 0.258 328 D C 1.306 177.574 176.300 -0.054 0.000 1.223 328 D CA 0.031 53.992 54.000 -0.065 0.000 0.886 328 D CB 1.078 41.837 40.800 -0.068 0.000 1.120 328 D HN 0.374 nan 8.370 nan 0.000 0.482 329 E N 3.650 123.820 120.200 -0.049 0.000 2.333 329 E HA -0.215 4.127 4.350 -0.013 0.000 0.198 329 E C 1.180 177.760 176.600 -0.033 0.000 1.007 329 E CA 0.659 57.037 56.400 -0.037 0.000 0.845 329 E CB -0.009 29.671 29.700 -0.033 0.000 0.766 329 E HN 0.441 nan 8.360 nan 0.000 0.507 330 R N 0.660 121.137 120.500 -0.039 0.000 2.148 330 R HA -0.055 4.277 4.340 -0.013 0.000 0.227 330 R C 1.954 178.235 176.300 -0.032 0.000 1.103 330 R CA 1.499 57.578 56.100 -0.036 0.000 0.983 330 R CB -0.072 30.203 30.300 -0.043 0.000 0.874 330 R HN 0.379 nan 8.270 nan 0.000 0.451 331 E N -0.155 120.024 120.200 -0.035 0.000 2.166 331 E HA 0.072 4.414 4.350 -0.013 0.000 0.192 331 E C -0.028 176.560 176.600 -0.021 0.000 0.967 331 E CA 0.414 56.796 56.400 -0.030 0.000 0.840 331 E CB 0.381 30.059 29.700 -0.038 0.000 0.795 331 E HN 0.237 nan 8.360 nan 0.000 0.470 332 N N 0.303 118.989 118.700 -0.022 0.000 2.454 332 N HA 0.272 5.004 4.740 -0.013 0.000 0.291 332 N C -1.154 174.348 175.510 -0.013 0.000 1.079 332 N CA -0.183 52.858 53.050 -0.014 0.000 0.893 332 N CB 2.074 40.549 38.487 -0.020 0.000 1.512 332 N HN -0.029 nan 8.380 nan 0.000 0.497 333 A N 0.588 123.407 122.820 -0.002 0.000 2.531 333 A HA 0.190 4.502 4.320 -0.013 0.000 0.236 333 A C 0.798 178.389 177.584 0.012 0.000 1.062 333 A CA 0.079 52.118 52.037 0.002 0.000 0.760 333 A CB -0.273 18.732 19.000 0.008 0.000 0.995 333 A HN 0.976 nan 8.150 nan 0.000 0.501 334 C N 2.062 121.367 119.300 0.007 0.000 3.727 334 C HA -0.096 4.356 4.460 -0.013 0.000 0.293 334 C C -0.512 174.492 174.990 0.023 0.000 1.339 334 C CA 0.031 59.061 59.018 0.020 0.000 2.150 334 C CB -2.290 25.474 27.740 0.041 0.000 1.383 334 C HN 0.863 nan 8.230 nan 0.000 0.614 335 P HA -0.139 nan 4.420 nan 0.000 0.223 335 P C 1.387 178.634 177.300 -0.090 0.000 1.151 335 P CA 1.424 64.492 63.100 -0.053 0.000 0.787 335 P CB 0.024 31.686 31.700 -0.063 0.000 0.788 336 M N -1.500 118.065 119.600 -0.058 0.000 2.558 336 M HA 0.040 4.512 4.480 -0.013 0.000 0.255 336 M C 0.806 177.073 176.300 -0.056 0.000 1.113 336 M CA 0.269 55.517 55.300 -0.087 0.000 1.097 336 M CB -1.841 30.735 32.600 -0.040 0.000 1.426 336 M HN 0.039 nan 8.290 nan 0.000 0.488 337 H N 0.704 119.712 119.070 -0.103 0.000 2.646 337 H HA 0.352 4.900 4.556 -0.013 0.000 0.325 337 H C -0.953 174.296 175.328 -0.133 0.000 1.075 337 H CA -0.321 55.681 56.048 -0.077 0.000 1.421 337 H CB 0.756 30.500 29.762 -0.030 0.000 1.461 337 H HN -0.166 nan 8.280 nan 0.000 0.525 338 V N 5.934 125.492 119.914 -0.593 0.000 2.432 338 V HA 0.130 4.242 4.120 -0.013 0.000 0.271 338 V C -0.017 175.654 176.094 -0.705 0.000 1.046 338 V CA -0.197 61.726 62.300 -0.628 0.000 0.945 338 V CB 0.841 32.167 31.823 -0.828 0.000 0.992 338 V HN 0.824 nan 8.190 nan 0.000 0.471 339 D N 4.252 124.398 120.400 -0.424 0.000 2.389 339 D HA 0.330 4.962 4.640 -0.013 0.000 0.256 339 D C 0.411 176.730 176.300 0.031 0.000 1.239 339 D CA -0.555 53.305 54.000 -0.233 0.000 0.925 339 D CB 0.927 41.667 40.800 -0.099 0.000 1.145 339 D HN 0.220 nan 8.370 nan 0.000 0.542 340 F N 1.210 121.199 119.950 0.065 0.000 2.494 340 F HA -0.021 4.498 4.527 -0.012 0.000 0.298 340 F C 2.141 177.973 175.800 0.053 0.000 1.106 340 F CA 0.457 58.501 58.000 0.073 0.000 1.452 340 F CB -0.463 38.605 39.000 0.112 0.000 1.085 340 F HN 0.268 nan 8.300 nan 0.000 0.569 341 S N -0.941 114.880 115.700 0.202 0.000 2.577 341 S HA 0.076 4.538 4.470 -0.013 0.000 0.219 341 S C 0.849 175.508 174.600 0.097 0.000 0.962 341 S CA -0.535 57.743 58.200 0.131 0.000 0.921 341 S CB -0.241 63.019 63.200 0.100 0.000 0.789 341 S HN 0.177 nan 8.310 nan 0.000 0.497 342 R N 2.150 122.707 120.500 0.096 0.000 2.494 342 R HA -0.024 4.308 4.340 -0.013 0.000 0.291 342 R C 1.180 177.520 176.300 0.066 0.000 0.953 342 R CA 0.353 56.496 56.100 0.071 0.000 1.098 342 R CB 0.255 30.590 30.300 0.059 0.000 0.911 342 R HN 0.245 nan 8.270 nan 0.000 0.407 343 Q N 2.785 122.616 119.800 0.052 0.000 2.083 343 Q HA -0.086 4.246 4.340 -0.013 0.000 0.198 343 Q C -0.018 176.007 176.000 0.042 0.000 0.969 343 Q CA 1.621 57.451 55.803 0.046 0.000 0.838 343 Q CB 0.203 28.964 28.738 0.037 0.000 0.900 343 Q HN 0.405 nan 8.270 nan 0.000 0.436 344 K N 0.412 120.834 120.400 0.036 0.000 2.572 344 K HA 0.315 4.627 4.320 -0.013 0.000 0.244 344 K C -1.357 175.263 176.600 0.033 0.000 0.965 344 K CA -0.173 56.132 56.287 0.030 0.000 0.943 344 K CB 2.219 34.731 32.500 0.019 0.000 1.154 344 K HN -0.206 nan 8.250 nan 0.000 0.447 345 V N 2.427 122.369 119.914 0.048 0.000 2.353 345 V HA 0.191 4.303 4.120 -0.013 0.000 0.264 345 V C -0.043 176.083 176.094 0.053 0.000 1.049 345 V CA -0.447 61.896 62.300 0.072 0.000 0.896 345 V CB 0.951 32.846 31.823 0.119 0.000 1.025 345 V HN 0.665 nan 8.190 nan 0.000 0.475 346 S N 5.254 120.972 115.700 0.031 0.000 2.442 346 S HA 0.730 5.193 4.470 -0.013 0.000 0.297 346 S C -0.615 174.003 174.600 0.030 0.000 1.131 346 S CA -0.466 57.721 58.200 -0.021 0.000 1.092 346 S CB 0.276 63.463 63.200 -0.021 0.000 0.998 346 S HN 1.094 nan 8.310 nan 0.000 0.478 347 H N 0.111 119.162 119.070 -0.031 0.000 2.967 347 H HA 0.540 5.087 4.556 -0.014 0.000 0.318 347 H C -0.540 174.763 175.328 -0.041 0.000 1.375 347 H CA -0.455 55.556 56.048 -0.061 0.000 1.132 347 H CB 0.797 30.504 29.762 -0.091 0.000 1.848 347 H HN 0.320 nan 8.280 nan 0.000 0.524 348 T N -1.833 112.805 114.554 0.140 0.000 3.448 348 T HA 0.189 4.531 4.350 -0.013 0.000 0.271 348 T C 0.340 175.096 174.700 0.094 0.000 1.002 348 T CA 0.032 62.198 62.100 0.109 0.000 0.995 348 T CB -0.410 68.478 68.868 0.034 0.000 1.153 348 T HN 0.629 nan 8.240 nan 0.000 0.510 349 T N 1.183 115.840 114.554 0.172 0.000 2.867 349 T HA 0.068 4.410 4.350 -0.013 0.000 0.268 349 T C 0.454 174.925 174.700 -0.381 0.000 1.057 349 T CA 1.134 63.060 62.100 -0.291 0.000 1.136 349 T CB -0.363 68.071 68.868 -0.723 0.000 0.874 349 T HN 0.520 nan 8.240 nan 0.000 0.466 350 F N 1.272 121.221 119.950 -0.002 0.000 2.645 350 F HA 0.464 4.986 4.527 -0.009 0.000 0.300 350 F C 1.601 177.357 175.800 -0.073 0.000 1.115 350 F CA -0.256 57.709 58.000 -0.058 0.000 1.355 350 F CB -0.551 38.415 39.000 -0.057 0.000 1.026 350 F HN 0.275 nan 8.300 nan 0.000 0.536 351 G N 0.057 108.875 108.800 0.031 0.000 2.698 351 G HA2 -0.102 3.850 3.960 -0.013 0.000 0.225 351 G HA3 -0.102 3.850 3.960 -0.013 0.000 0.225 351 G C -1.426 173.465 174.900 -0.016 0.000 1.345 351 G CA -0.619 44.414 45.100 -0.112 0.000 0.871 351 G HN 0.540 nan 8.290 nan 0.000 0.540 352 H N -1.062 117.855 119.070 -0.254 0.000 3.094 352 H HA 0.670 5.219 4.556 -0.012 0.000 0.346 352 H C 0.593 175.912 175.328 -0.016 0.000 1.238 352 H CA 1.848 57.848 56.048 -0.081 0.000 1.209 352 H CB 1.278 31.052 29.762 0.019 0.000 1.911 352 H HN 2.646 nan 8.280 nan 0.000 0.540 353 G N 1.227 109.785 108.800 -0.403 0.000 2.542 353 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.235 353 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.235 353 G C 1.149 176.024 174.900 -0.043 0.000 1.286 353 G CA 0.649 45.673 45.100 -0.127 0.000 0.904 353 G HN 1.414 nan 8.290 nan 0.000 0.577 354 S N -0.960 114.762 115.700 0.036 0.000 2.481 354 S HA -0.005 4.457 4.470 -0.013 0.000 0.231 354 S C 1.337 175.825 174.600 -0.186 0.000 0.996 354 S CA 1.743 59.890 58.200 -0.088 0.000 0.942 354 S CB -0.255 62.843 63.200 -0.171 0.000 0.768 354 S HN 0.741 nan 8.310 nan 0.000 0.520 355 H N 0.362 119.414 119.070 -0.030 0.000 2.519 355 H HA 0.328 4.877 4.556 -0.012 0.000 0.289 355 H C 0.072 175.369 175.328 -0.052 0.000 1.040 355 H CA -0.552 55.479 56.048 -0.028 0.000 1.165 355 H CB -0.032 29.724 29.762 -0.011 0.000 1.462 355 H HN 0.305 nan 8.280 nan 0.000 0.555 356 L N 1.962 123.188 121.223 0.005 0.000 2.678 356 L HA -0.136 4.197 4.340 -0.013 0.000 0.285 356 L C 0.646 177.506 176.870 -0.017 0.000 1.233 356 L CA 0.364 55.195 54.840 -0.015 0.000 0.920 356 L CB -0.055 41.977 42.059 -0.046 0.000 1.176 356 L HN 0.352 nan 8.230 nan 0.000 0.495 357 C N 6.173 125.476 119.300 0.005 0.000 2.437 357 C HA -0.036 4.416 4.460 -0.013 0.000 0.399 357 C C 1.918 176.825 174.990 -0.139 0.000 1.478 357 C CA -0.197 58.806 59.018 -0.024 0.000 1.538 357 C CB -1.255 26.520 27.740 0.058 0.000 2.506 357 C HN 0.891 nan 8.230 nan 0.000 0.603 358 L N 5.067 126.241 121.223 -0.082 0.000 2.313 358 L HA 0.132 4.464 4.340 -0.013 0.000 0.214 358 L C 2.463 179.255 176.870 -0.130 0.000 1.119 358 L CA 1.334 56.122 54.840 -0.085 0.000 0.809 358 L CB -0.436 41.615 42.059 -0.013 0.000 0.933 358 L HN 0.972 nan 8.230 nan 0.000 0.449 359 G N -0.409 108.309 108.800 -0.137 0.000 2.985 359 G HA2 -0.105 3.847 3.960 -0.013 0.000 0.209 359 G HA3 -0.105 3.847 3.960 -0.013 0.000 0.209 359 G C 1.392 176.127 174.900 -0.275 0.000 1.165 359 G CA 0.049 45.075 45.100 -0.124 0.000 0.776 359 G HN 0.541 nan 8.290 nan 0.000 0.541 360 Q N -0.160 119.282 119.800 -0.597 0.000 2.170 360 Q HA -0.162 4.170 4.340 -0.013 0.000 0.203 360 Q C 1.806 177.376 176.000 -0.717 0.000 0.976 360 Q CA 1.250 56.393 55.803 -1.099 0.000 0.858 360 Q CB -0.508 27.151 28.738 -1.799 0.000 0.907 360 Q HN 0.471 nan 8.270 nan 0.000 0.433 361 H N 0.453 119.357 119.070 -0.277 0.000 2.395 361 H HA -0.036 4.514 4.556 -0.010 0.000 0.299 361 H C 2.160 177.443 175.328 -0.075 0.000 1.070 361 H CA 1.191 57.151 56.048 -0.148 0.000 1.356 361 H CB -0.176 29.524 29.762 -0.104 0.000 1.401 361 H HN 0.232 nan 8.280 nan 0.000 0.524 362 L N 1.341 122.580 121.223 0.028 0.000 2.017 362 L HA -0.086 4.246 4.340 -0.013 0.000 0.208 362 L C 2.560 179.451 176.870 0.035 0.000 1.073 362 L CA 1.871 56.729 54.840 0.030 0.000 0.745 362 L CB -1.005 41.066 42.059 0.019 0.000 0.894 362 L HN 0.184 nan 8.230 nan 0.000 0.432 363 A N -0.437 122.388 122.820 0.007 0.000 1.883 363 A HA -0.247 4.065 4.320 -0.013 0.000 0.217 363 A C 2.450 180.115 177.584 0.134 0.000 1.186 363 A CA 1.990 54.079 52.037 0.087 0.000 0.624 363 A CB -0.610 18.482 19.000 0.154 0.000 0.822 363 A HN 0.505 nan 8.150 nan 0.000 0.444 364 R N -1.370 119.186 120.500 0.093 0.000 2.096 364 R HA -0.134 4.198 4.340 -0.013 0.000 0.235 364 R C 2.456 178.842 176.300 0.144 0.000 1.127 364 R CA 1.518 57.697 56.100 0.132 0.000 0.968 364 R CB -0.252 30.106 30.300 0.096 0.000 0.861 364 R HN 0.455 nan 8.270 nan 0.000 0.440 365 R N 1.546 122.122 120.500 0.126 0.000 2.081 365 R HA -0.122 4.210 4.340 -0.013 0.000 0.235 365 R C 1.631 178.056 176.300 0.208 0.000 1.131 365 R CA 1.763 57.947 56.100 0.140 0.000 0.960 365 R CB -0.212 30.154 30.300 0.111 0.000 0.856 365 R HN 0.263 nan 8.270 nan 0.000 0.436 366 E N -0.443 119.894 120.200 0.229 0.000 2.106 366 E HA -0.134 4.208 4.350 -0.013 0.000 0.192 366 E C 1.989 178.863 176.600 0.458 0.000 0.984 366 E CA 1.489 58.122 56.400 0.389 0.000 0.806 366 E CB -0.123 29.717 29.700 0.234 0.000 0.750 366 E HN 0.359 nan 8.360 nan 0.000 0.458 367 I N 0.760 121.533 120.570 0.338 0.000 2.163 367 I HA -0.262 3.900 4.170 -0.013 0.000 0.240 367 I C 2.320 178.581 176.117 0.239 0.000 1.081 367 I CA 1.016 62.514 61.300 0.330 0.000 1.353 367 I CB -0.172 38.037 38.000 0.348 0.000 1.054 367 I HN 0.076 nan 8.210 nan 0.000 0.407 368 I N 0.004 120.691 120.570 0.194 0.000 2.163 368 I HA -0.277 3.885 4.170 -0.013 0.000 0.243 368 I C 2.538 178.732 176.117 0.128 0.000 1.085 368 I CA 1.254 62.635 61.300 0.135 0.000 1.347 368 I CB -0.326 37.741 38.000 0.111 0.000 1.044 368 I HN 0.022 nan 8.210 nan 0.000 0.408 369 V N 0.455 120.468 119.914 0.166 0.000 2.287 369 V HA -0.323 3.789 4.120 -0.013 0.000 0.248 369 V C 2.500 178.652 176.094 0.097 0.000 1.053 369 V CA 2.569 64.958 62.300 0.148 0.000 1.027 369 V CB -0.955 31.003 31.823 0.226 0.000 0.646 369 V HN 0.485 nan 8.190 nan 0.000 0.447 370 T N 0.488 115.115 114.554 0.122 0.000 2.652 370 T HA -0.173 4.169 4.350 -0.013 0.000 0.267 370 T C 1.869 176.593 174.700 0.041 0.000 1.039 370 T CA 1.795 63.926 62.100 0.052 0.000 1.153 370 T CB -0.344 68.626 68.868 0.170 0.000 0.863 370 T HN 0.306 nan 8.240 nan 0.000 0.428 371 L N 0.653 121.914 121.223 0.063 0.000 2.012 371 L HA -0.114 4.218 4.340 -0.013 0.000 0.210 371 L C 2.870 179.779 176.870 0.067 0.000 1.073 371 L CA 1.295 56.164 54.840 0.048 0.000 0.748 371 L CB -0.570 41.513 42.059 0.041 0.000 0.891 371 L HN 0.131 nan 8.230 nan 0.000 0.431 372 K N 0.288 120.722 120.400 0.056 0.000 2.002 372 K HA -0.180 4.132 4.320 -0.013 0.000 0.209 372 K C 1.978 178.598 176.600 0.032 0.000 1.048 372 K CA 1.563 57.877 56.287 0.044 0.000 0.930 372 K CB -0.018 32.507 32.500 0.041 0.000 0.714 372 K HN 0.239 nan 8.250 nan 0.000 0.438 373 E N -0.327 119.888 120.200 0.025 0.000 2.152 373 E HA -0.168 4.175 4.350 -0.013 0.000 0.192 373 E C 1.749 178.316 176.600 -0.055 0.000 0.983 373 E CA 0.452 56.843 56.400 -0.016 0.000 0.818 373 E CB -0.362 29.328 29.700 -0.017 0.000 0.758 373 E HN 0.470 nan 8.360 nan 0.000 0.467 374 W N 1.486 122.653 121.300 -0.221 0.000 2.378 374 W HA -0.084 4.567 4.660 -0.014 0.000 0.313 374 W C 1.796 178.169 176.519 -0.244 0.000 1.197 374 W CA 0.908 58.059 57.345 -0.323 0.000 1.304 374 W CB -0.408 28.788 29.460 -0.439 0.000 1.148 374 W HN 0.016 nan 8.180 nan 0.000 0.494 375 L N 0.527 121.844 121.223 0.157 0.000 2.191 375 L HA -0.215 4.117 4.340 -0.013 0.000 0.212 375 L C 2.363 179.234 176.870 0.001 0.000 1.103 375 L CA 1.554 56.472 54.840 0.130 0.000 0.769 375 L CB -1.063 41.086 42.059 0.150 0.000 0.908 375 L HN -0.110 nan 8.230 nan 0.000 0.438 376 T N -0.664 113.865 114.554 -0.041 0.000 2.746 376 T HA -0.170 4.172 4.350 -0.013 0.000 0.267 376 T C 2.054 176.681 174.700 -0.122 0.000 1.039 376 T CA 1.386 63.448 62.100 -0.063 0.000 1.142 376 T CB -0.045 68.791 68.868 -0.054 0.000 0.866 376 T HN 0.335 nan 8.240 nan 0.000 0.444 377 R N -0.190 120.173 120.500 -0.227 0.000 2.146 377 R HA 0.345 4.677 4.340 -0.013 0.000 0.206 377 R C 0.510 176.564 176.300 -0.411 0.000 1.049 377 R CA 0.568 56.484 56.100 -0.306 0.000 1.029 377 R CB 0.432 30.500 30.300 -0.386 0.000 0.949 377 R HN 0.300 nan 8.270 nan 0.000 0.471 378 I N 2.241 122.469 120.570 -0.571 0.000 2.862 378 I HA 0.192 4.354 4.170 -0.013 0.000 0.285 378 I C -1.970 174.050 176.117 -0.162 0.000 1.339 378 I CA -1.553 59.358 61.300 -0.648 0.000 1.002 378 I CB 1.936 39.036 38.000 -1.499 0.000 1.618 378 I HN -0.109 nan 8.210 nan 0.000 0.593 379 P HA -0.073 nan 4.420 nan 0.000 0.223 379 P C 0.179 177.596 177.300 0.194 0.000 1.151 379 P CA 1.251 64.422 63.100 0.119 0.000 0.787 379 P CB 0.471 32.197 31.700 0.043 0.000 0.788 380 D N -0.145 120.373 120.400 0.197 0.000 2.469 380 D HA 0.380 5.012 4.640 -0.013 0.000 0.251 380 D C -0.925 175.552 176.300 0.296 0.000 1.173 380 D CA -0.681 53.400 54.000 0.135 0.000 0.882 380 D CB 0.691 41.540 40.800 0.083 0.000 1.129 380 D HN -0.052 nan 8.370 nan 0.000 0.549 381 F N 0.414 120.435 119.950 0.119 0.000 2.711 381 F HA 0.766 5.285 4.527 -0.013 0.000 0.313 381 F C -0.950 174.930 175.800 0.132 0.000 1.141 381 F CA -0.967 57.166 58.000 0.222 0.000 0.941 381 F CB 1.169 40.346 39.000 0.296 0.000 1.349 381 F HN 0.118 nan 8.300 nan 0.000 0.464 382 S N 0.799 116.652 115.700 0.255 0.000 2.625 382 S HA 0.676 5.138 4.470 -0.013 0.000 0.271 382 S C -1.263 173.437 174.600 0.167 0.000 1.161 382 S CA -1.088 57.156 58.200 0.073 0.000 0.820 382 S CB 1.477 64.687 63.200 0.016 0.000 1.137 382 S HN 0.764 nan 8.310 nan 0.000 0.470 383 I N 1.841 122.457 120.570 0.076 0.000 2.648 383 I HA 0.267 4.429 4.170 -0.013 0.000 0.284 383 I C 1.307 177.467 176.117 0.071 0.000 1.153 383 I CA -0.087 61.260 61.300 0.079 0.000 1.426 383 I CB -0.150 37.871 38.000 0.035 0.000 1.381 383 I HN 1.000 nan 8.210 nan 0.000 0.571 384 A N 8.791 131.655 122.820 0.073 0.000 2.567 384 A HA 0.228 4.540 4.320 -0.013 0.000 0.240 384 A C -2.063 175.538 177.584 0.029 0.000 1.053 384 A CA -0.648 51.416 52.037 0.046 0.000 0.755 384 A CB -0.983 18.040 19.000 0.038 0.000 0.978 384 A HN 0.522 nan 8.150 nan 0.000 0.507 385 P HA 0.276 nan 4.420 nan 0.000 0.265 385 P C 1.077 178.383 177.300 0.010 0.000 1.193 385 P CA 1.501 64.608 63.100 0.012 0.000 0.765 385 P CB 0.643 32.347 31.700 0.007 0.000 0.823 386 G N 1.661 110.466 108.800 0.009 0.000 2.205 386 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.261 386 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.261 386 G C 0.448 175.355 174.900 0.011 0.000 0.980 386 G CA 0.080 45.184 45.100 0.008 0.000 0.632 386 G HN 0.880 nan 8.290 nan 0.000 0.533 387 A N 0.170 122.999 122.820 0.015 0.000 2.425 387 A HA 0.620 4.932 4.320 -0.013 0.000 0.249 387 A C 0.435 178.027 177.584 0.014 0.000 1.084 387 A CA 0.290 52.338 52.037 0.018 0.000 0.781 387 A CB 0.391 19.407 19.000 0.028 0.000 1.019 387 A HN 0.321 nan 8.150 nan 0.000 0.490 388 Q N 1.977 121.784 119.800 0.012 0.000 2.348 388 Q HA 0.307 4.639 4.340 -0.013 0.000 0.265 388 Q C -0.722 175.280 176.000 0.003 0.000 0.998 388 Q CA -0.529 55.276 55.803 0.004 0.000 0.831 388 Q CB 1.568 30.308 28.738 0.002 0.000 1.251 388 Q HN 0.605 nan 8.270 nan 0.000 0.456 389 I N 2.793 123.359 120.570 -0.006 0.000 2.396 389 I HA 0.102 4.264 4.170 -0.013 0.000 0.289 389 I C 0.648 176.736 176.117 -0.049 0.000 1.056 389 I CA 0.011 61.311 61.300 -0.001 0.000 1.365 389 I CB 0.400 38.414 38.000 0.024 0.000 1.407 389 I HN 0.304 nan 8.210 nan 0.000 0.509 390 Q N 6.085 125.893 119.800 0.013 0.000 2.271 390 Q HA 0.398 4.730 4.340 -0.013 0.000 0.258 390 Q C -0.584 175.517 176.000 0.169 0.000 0.936 390 Q CA -0.401 55.420 55.803 0.030 0.000 0.909 390 Q CB 2.035 30.803 28.738 0.050 0.000 1.253 390 Q HN 0.597 nan 8.270 nan 0.000 0.440 391 H N 0.711 119.843 119.070 0.103 0.000 2.595 391 H HA 0.474 5.022 4.556 -0.013 0.000 0.346 391 H C -0.258 175.151 175.328 0.135 0.000 1.181 391 H CA -0.935 55.198 56.048 0.142 0.000 1.242 391 H CB 1.733 31.654 29.762 0.264 0.000 1.652 391 H HN 0.379 nan 8.280 nan 0.000 0.548 392 K N 0.489 121.057 120.400 0.280 0.000 2.422 392 K HA 0.520 4.832 4.320 -0.013 0.000 0.251 392 K C -1.145 175.602 176.600 0.246 0.000 0.933 392 K CA -0.886 55.528 56.287 0.212 0.000 0.798 392 K CB 2.576 35.162 32.500 0.144 0.000 1.238 392 K HN 0.353 nan 8.250 nan 0.000 0.428 393 S N 0.798 116.648 115.700 0.250 0.000 2.537 393 S HA 0.885 5.347 4.470 -0.013 0.000 0.301 393 S C -0.337 174.405 174.600 0.238 0.000 1.092 393 S CA 0.193 58.572 58.200 0.298 0.000 1.048 393 S CB 1.323 64.745 63.200 0.370 0.000 1.053 393 S HN 0.975 nan 8.310 nan 0.000 0.501 394 G N 2.527 111.432 108.800 0.174 0.000 2.393 394 G HA2 0.229 4.181 3.960 -0.013 0.000 0.264 394 G HA3 0.229 4.181 3.960 -0.013 0.000 0.264 394 G C 0.279 175.126 174.900 -0.088 0.000 1.221 394 G CA -0.371 44.739 45.100 0.017 0.000 0.912 394 G HN 0.545 nan 8.290 nan 0.000 0.483 395 I N 0.002 120.497 120.570 -0.125 0.000 2.208 395 I HA -0.014 4.148 4.170 -0.013 0.000 0.245 395 I C 0.910 176.939 176.117 -0.146 0.000 1.097 395 I CA 1.557 62.707 61.300 -0.251 0.000 1.363 395 I CB -0.806 36.905 38.000 -0.481 0.000 1.051 395 I HN 0.013 nan 8.210 nan 0.000 0.413 396 V N 0.976 120.866 119.914 -0.040 0.000 2.444 396 V HA 0.292 4.404 4.120 -0.013 0.000 0.294 396 V C 0.148 176.272 176.094 0.050 0.000 1.022 396 V CA -0.536 61.760 62.300 -0.007 0.000 0.850 396 V CB 1.817 33.660 31.823 0.034 0.000 0.992 396 V HN 0.114 nan 8.190 nan 0.000 0.426 397 S N 2.388 118.127 115.700 0.065 0.000 2.669 397 S HA 0.903 5.365 4.470 -0.013 0.000 0.270 397 S C 0.426 175.186 174.600 0.268 0.000 1.225 397 S CA 0.084 58.388 58.200 0.174 0.000 0.991 397 S CB 1.768 65.055 63.200 0.144 0.000 0.987 397 S HN 1.173 nan 8.310 nan 0.000 0.552 398 G N -0.576 108.349 108.800 0.207 0.000 2.619 398 G HA2 0.554 4.506 3.960 -0.013 0.000 0.305 398 G HA3 0.554 4.506 3.960 -0.013 0.000 0.305 398 G C -1.965 172.729 174.900 -0.345 0.000 1.330 398 G CA -0.475 44.536 45.100 -0.148 0.000 0.789 398 G HN 0.621 nan 8.290 nan 0.000 0.487 399 V N 0.893 120.541 119.914 -0.444 0.000 2.487 399 V HA 0.303 4.415 4.120 -0.013 0.000 0.298 399 V C 0.951 176.999 176.094 -0.078 0.000 1.028 399 V CA -0.383 61.753 62.300 -0.273 0.000 0.860 399 V CB 1.395 32.965 31.823 -0.423 0.000 0.991 399 V HN 0.881 nan 8.190 nan 0.000 0.427 400 Q N 2.806 122.622 119.800 0.027 0.000 2.046 400 Q HA 0.140 4.472 4.340 -0.013 0.000 0.200 400 Q C 0.635 176.650 176.000 0.024 0.000 0.975 400 Q CA 1.587 57.410 55.803 0.032 0.000 0.836 400 Q CB 0.304 29.076 28.738 0.056 0.000 0.896 400 Q HN 0.890 nan 8.270 nan 0.000 0.428 401 A N -0.067 122.775 122.820 0.036 0.000 2.604 401 A HA 0.558 4.870 4.320 -0.013 0.000 0.295 401 A C -1.920 175.700 177.584 0.060 0.000 1.067 401 A CA -0.595 51.468 52.037 0.045 0.000 0.683 401 A CB 1.572 20.600 19.000 0.045 0.000 1.281 401 A HN 0.102 nan 8.150 nan 0.000 0.407 402 L N 2.316 123.592 121.223 0.088 0.000 2.489 402 L HA 0.466 4.798 4.340 -0.013 0.000 0.257 402 L C -2.665 174.289 176.870 0.140 0.000 1.215 402 L CA -1.473 53.431 54.840 0.106 0.000 0.915 402 L CB 1.678 43.809 42.059 0.122 0.000 1.146 402 L HN 0.421 nan 8.230 nan 0.000 0.494 403 P HA 0.220 nan 4.420 nan 0.000 0.276 403 P C -0.796 176.589 177.300 0.143 0.000 1.264 403 P CA 0.223 63.392 63.100 0.115 0.000 0.769 403 P CB 0.732 32.475 31.700 0.071 0.000 0.840 404 L N 3.896 125.248 121.223 0.214 0.000 2.322 404 L HA 0.743 5.076 4.340 -0.013 0.000 0.269 404 L C 0.577 177.589 176.870 0.236 0.000 1.012 404 L CA -1.223 53.805 54.840 0.313 0.000 0.815 404 L CB 2.010 44.369 42.059 0.500 0.000 1.295 404 L HN 0.202 nan 8.230 nan 0.000 0.438 405 V N -1.443 118.646 119.914 0.292 0.000 3.007 405 V HA 0.800 4.912 4.120 -0.013 0.000 0.311 405 V C -1.698 174.621 176.094 0.376 0.000 1.120 405 V CA -0.593 61.745 62.300 0.063 0.000 0.980 405 V CB 1.788 33.609 31.823 -0.004 0.000 1.033 405 V HN 0.980 nan 8.190 nan 0.000 0.429 406 W N 0.648 122.021 121.300 0.121 0.000 3.059 406 W HA 0.743 5.396 4.660 -0.013 0.000 0.329 406 W C -1.642 174.913 176.519 0.061 0.000 1.246 406 W CA -0.717 56.697 57.345 0.115 0.000 1.190 406 W CB 0.890 30.442 29.460 0.152 0.000 1.423 406 W HN 0.696 nan 8.180 nan 0.000 0.571 407 D N 2.021 122.591 120.400 0.284 0.000 2.339 407 D HA 0.353 4.985 4.640 -0.013 0.000 0.241 407 D C -1.416 175.040 176.300 0.261 0.000 1.183 407 D CA -2.378 51.719 54.000 0.163 0.000 0.859 407 D CB 1.767 42.636 40.800 0.115 0.000 1.067 407 D HN 0.044 nan 8.370 nan 0.000 0.484 408 P HA -0.113 nan 4.420 nan 0.000 0.219 408 P C 0.917 178.295 177.300 0.130 0.000 1.146 408 P CA 1.019 64.251 63.100 0.221 0.000 0.808 408 P CB 0.155 31.922 31.700 0.113 0.000 0.779 409 A N -0.373 122.502 122.820 0.092 0.000 2.070 409 A HA -0.146 4.166 4.320 -0.013 0.000 0.220 409 A C 2.014 179.633 177.584 0.058 0.000 1.159 409 A CA 2.107 54.180 52.037 0.060 0.000 0.656 409 A CB -1.686 17.340 19.000 0.044 0.000 0.800 409 A HN 0.359 nan 8.150 nan 0.000 0.453 410 T N -2.477 112.127 114.554 0.083 0.000 3.107 410 T HA 0.172 4.514 4.350 -0.013 0.000 0.249 410 T C 0.800 175.519 174.700 0.030 0.000 1.096 410 T CA 0.653 62.789 62.100 0.062 0.000 1.012 410 T CB -0.828 68.090 68.868 0.083 0.000 0.977 410 T HN 0.527 nan 8.240 nan 0.000 0.527 411 T N -0.597 113.973 114.554 0.026 0.000 2.927 411 T HA 0.526 4.868 4.350 -0.013 0.000 0.281 411 T C -0.661 174.011 174.700 -0.047 0.000 0.998 411 T CA -0.961 61.110 62.100 -0.048 0.000 1.019 411 T CB 1.923 70.752 68.868 -0.064 0.000 1.061 411 T HN 0.258 nan 8.240 nan 0.000 0.518 412 K N 0.842 121.191 120.400 -0.086 0.000 2.545 412 K HA 0.580 4.892 4.320 -0.013 0.000 0.252 412 K C -0.698 175.853 176.600 -0.081 0.000 0.948 412 K CA -0.837 55.411 56.287 -0.065 0.000 0.827 412 K CB 1.563 34.030 32.500 -0.056 0.000 1.128 412 K HN 0.910 nan 8.250 nan 0.000 0.429 413 A N 3.752 126.538 122.820 -0.057 0.000 2.450 413 A HA 0.363 4.675 4.320 -0.013 0.000 0.255 413 A C -0.108 177.448 177.584 -0.046 0.000 1.096 413 A CA -0.351 51.653 52.037 -0.054 0.000 0.778 413 A CB 0.485 19.465 19.000 -0.034 0.000 1.031 413 A HN 0.481 nan 8.150 nan 0.000 0.494 414 V N 0.000 119.884 119.914 -0.050 0.000 2.409 414 V HA 0.000 4.112 4.120 -0.013 0.000 0.244 414 V CA 0.000 62.278 62.300 -0.036 0.000 1.235 414 V CB 0.000 31.798 31.823 -0.041 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556