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 1qb4_1_A DATA FIRST_RESID 4 DATA SEQUENCE QYSALRSNVS MLGKVLGETI KDALGEHILE RVETIRKLSK SSRAGNDANR DATA SEQUENCE QELLTTLQNL SNDELLPVAR AFSQFLNLAN TAEQYHSISP KGEAASNPEV DATA SEQUENCE IARTLRKLKN QPELSEDTIK KAVESLSLEL VLTAHPTEIT RRTLIHKMVE DATA SEQUENCE VNACLKQLDN KDIADYEHNQ LMRRLRQLIA QSWHTDEIRK LRPSPVDEAK DATA SEQUENCE WGFAVVENSL WQGVPNYLRE LNEQLEENLG YKLPVEFVPV RFTSWMGGDR DATA SEQUENCE DGNPNVTADI TRHVLLLSRW KATDLFLKDI QVLVSELSMV EATPELLALV DATA SEQUENCE GEEGAAEPYR YLMKNLRSRL MATQAWLEAR LKGEELPKPE GLLTQNEELW DATA SEQUENCE EPLYACYQSL QACGMGIIAN GDLLDTLRRV KCFGVPLVRI DIRQESTRHT DATA SEQUENCE EALGELTRYL GIGDYESWSE ADKQAFLIRE LNSKRPLLPR NWQPSAETRE DATA SEQUENCE VLDTCQVIAE APQGSIAAYV ISMAKTPSDV LAVHLLLKEA GIGFAMPVAP DATA SEQUENCE LFETLDDLNN ANDVMTQLLN IDWYRGLIQG KQMVMIGYSD SAKDAGVMAA DATA SEQUENCE SWAQYQAQDA LIKTCEKAGI ELTLFHGRGG SIGRGGAPAH AALLSQPPGS DATA SEQUENCE LKGGLRVTEQ GEMIRFKYGL PEITVSSLSL YTGAILEANL LPPPEPKESW DATA SEQUENCE RRIMDELSVI SCDVYRGYVR ENKDFVPYFR SATPEQELGK LPLGSRPAKX DATA SEQUENCE XXXXXVESLR AIPWIFAWTQ NRLMLPAWLG AGTALQKVVE DGKQSELEAM DATA SEQUENCE CRDWPFFSTR LGMLEMVFAK ADLWLAEYYD QRLVDKALWP LGKELRNLQE DATA SEQUENCE EDIKVVLAIA NDSHLMADLP WIAESIQLRN IYTDPLNVLQ AELLHRSRQA DATA SEQUENCE EKEGQEPDPR VEQALMVTIA GIAAGMRNTG 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.854 176.000 -0.244 0.000 1.003 4 Q CA 0.000 55.625 55.803 -0.297 0.000 1.022 4 Q CB 0.000 28.402 28.738 -0.559 0.000 1.108 5 Y N 3.204 123.529 120.300 0.041 0.000 2.553 5 Y HA 0.159 4.702 4.550 -0.011 0.000 0.303 5 Y C 2.687 178.576 175.900 -0.018 0.000 1.194 5 Y CA 0.852 58.950 58.100 -0.004 0.000 1.305 5 Y CB -0.255 38.221 38.460 0.027 0.000 1.045 5 Y HN 0.613 nan 8.280 nan 0.000 0.514 6 S N 0.331 116.087 115.700 0.092 0.000 2.368 6 S HA -0.360 4.104 4.470 -0.011 0.000 0.226 6 S C 2.427 177.072 174.600 0.076 0.000 1.044 6 S CA 1.324 59.565 58.200 0.068 0.000 1.062 6 S CB -0.977 62.245 63.200 0.036 0.000 0.931 6 S HN 0.420 nan 8.310 nan 0.000 0.440 7 A N 1.832 124.708 122.820 0.092 0.000 1.940 7 A HA 0.008 4.322 4.320 -0.011 0.000 0.219 7 A C 2.316 179.973 177.584 0.122 0.000 1.176 7 A CA 1.785 53.894 52.037 0.120 0.000 0.631 7 A CB -0.891 18.211 19.000 0.170 0.000 0.814 7 A HN 0.665 nan 8.150 nan 0.000 0.446 8 L N -0.741 120.514 121.223 0.053 0.000 2.072 8 L HA -0.081 4.253 4.340 -0.011 0.000 0.205 8 L C 2.283 179.185 176.870 0.054 0.000 1.079 8 L CA 1.726 56.563 54.840 -0.005 0.000 0.752 8 L CB -0.426 41.472 42.059 -0.268 0.000 0.906 8 L HN 0.200 nan 8.230 nan 0.000 0.436 9 R N 0.319 120.856 120.500 0.063 0.000 2.096 9 R HA -0.050 4.283 4.340 -0.011 0.000 0.235 9 R C 2.319 178.663 176.300 0.074 0.000 1.127 9 R CA 1.406 57.551 56.100 0.075 0.000 0.968 9 R CB -1.537 28.808 30.300 0.076 0.000 0.861 9 R HN 0.652 nan 8.270 nan 0.000 0.440 10 S N 1.697 117.440 115.700 0.072 0.000 2.348 10 S HA -0.112 4.351 4.470 -0.011 0.000 0.221 10 S C 1.717 176.359 174.600 0.069 0.000 1.033 10 S CA 1.065 59.305 58.200 0.067 0.000 1.010 10 S CB -0.441 62.798 63.200 0.064 0.000 0.891 10 S HN 0.216 nan 8.310 nan 0.000 0.442 11 N N 1.702 120.449 118.700 0.078 0.000 2.104 11 N HA -0.108 4.625 4.740 -0.011 0.000 0.190 11 N C 2.035 177.580 175.510 0.059 0.000 1.024 11 N CA 1.571 54.663 53.050 0.070 0.000 0.853 11 N CB -0.964 37.584 38.487 0.102 0.000 1.008 11 N HN 0.527 nan 8.380 nan 0.000 0.424 12 V N -1.048 118.905 119.914 0.065 0.000 2.407 12 V HA -0.153 3.961 4.120 -0.011 0.000 0.248 12 V C 2.332 178.473 176.094 0.077 0.000 1.055 12 V CA 2.401 64.731 62.300 0.050 0.000 1.049 12 V CB -0.969 30.875 31.823 0.035 0.000 0.662 12 V HN 0.321 nan 8.190 nan 0.000 0.455 13 S N -0.182 115.571 115.700 0.088 0.000 2.368 13 S HA -0.244 4.220 4.470 -0.011 0.000 0.225 13 S C 2.127 176.773 174.600 0.076 0.000 1.030 13 S CA 2.116 60.370 58.200 0.091 0.000 0.999 13 S CB -0.504 62.740 63.200 0.074 0.000 0.844 13 S HN 0.669 nan 8.310 nan 0.000 0.459 14 M N 0.963 120.598 119.600 0.059 0.000 2.059 14 M HA -0.059 4.415 4.480 -0.011 0.000 0.259 14 M C 2.058 178.378 176.300 0.033 0.000 1.072 14 M CA 1.750 57.076 55.300 0.044 0.000 1.117 14 M CB -0.856 31.767 32.600 0.038 0.000 1.320 14 M HN 0.447 nan 8.290 nan 0.000 0.408 15 L N -0.270 120.967 121.223 0.023 0.000 2.187 15 L HA -0.145 4.188 4.340 -0.011 0.000 0.213 15 L C 2.526 179.401 176.870 0.009 0.000 1.100 15 L CA 1.134 55.974 54.840 -0.001 0.000 0.765 15 L CB -1.184 40.867 42.059 -0.014 0.000 0.904 15 L HN 0.490 nan 8.230 nan 0.000 0.437 16 G N -0.654 108.198 108.800 0.088 0.000 2.408 16 G HA2 -0.149 3.805 3.960 -0.011 0.000 0.215 16 G HA3 -0.149 3.805 3.960 -0.011 0.000 0.215 16 G C 1.668 176.673 174.900 0.176 0.000 1.156 16 G CA 0.143 45.381 45.100 0.229 0.000 0.793 16 G HN 0.098 nan 8.290 nan 0.000 0.535 17 K N 0.760 121.220 120.400 0.099 0.000 1.985 17 K HA 0.018 4.331 4.320 -0.011 0.000 0.210 17 K C 2.672 179.280 176.600 0.012 0.000 1.047 17 K CA 0.668 56.992 56.287 0.061 0.000 0.932 17 K CB -1.231 31.296 32.500 0.045 0.000 0.716 17 K HN 0.185 nan 8.250 nan 0.000 0.439 18 V N 1.748 121.658 119.914 -0.006 0.000 2.278 18 V HA -0.272 3.842 4.120 -0.011 0.000 0.251 18 V C 2.350 178.387 176.094 -0.095 0.000 1.062 18 V CA 1.897 64.173 62.300 -0.041 0.000 1.038 18 V CB -0.645 31.154 31.823 -0.039 0.000 0.646 18 V HN 0.206 nan 8.190 nan 0.000 0.447 19 L N 1.430 122.560 121.223 -0.155 0.000 2.012 19 L HA -0.067 4.267 4.340 -0.011 0.000 0.210 19 L C 2.351 179.018 176.870 -0.339 0.000 1.073 19 L CA 2.554 57.200 54.840 -0.325 0.000 0.748 19 L CB -1.432 40.292 42.059 -0.558 0.000 0.891 19 L HN 0.273 nan 8.230 nan 0.000 0.431 20 G N -1.424 107.282 108.800 -0.157 0.000 2.418 20 G HA2 -0.251 3.703 3.960 -0.011 0.000 0.217 20 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.217 20 G C 1.464 176.299 174.900 -0.109 0.000 1.158 20 G CA 0.738 45.794 45.100 -0.072 0.000 0.771 20 G HN 0.517 nan 8.290 nan 0.000 0.545 21 E N -0.227 119.925 120.200 -0.079 0.000 2.023 21 E HA -0.138 4.205 4.350 -0.011 0.000 0.196 21 E C 2.817 179.363 176.600 -0.091 0.000 1.003 21 E CA 1.676 58.040 56.400 -0.061 0.000 0.809 21 E CB -0.247 29.431 29.700 -0.037 0.000 0.755 21 E HN 0.320 nan 8.360 nan 0.000 0.449 22 T N 1.089 115.566 114.554 -0.129 0.000 2.737 22 T HA -0.188 4.155 4.350 -0.011 0.000 0.269 22 T C 1.883 176.436 174.700 -0.245 0.000 1.040 22 T CA 1.275 63.290 62.100 -0.142 0.000 1.142 22 T CB -0.218 68.546 68.868 -0.173 0.000 0.861 22 T HN 0.133 nan 8.240 nan 0.000 0.456 23 I N 1.072 121.386 120.570 -0.427 0.000 2.353 23 I HA -0.074 4.090 4.170 -0.011 0.000 0.248 23 I C 2.986 178.985 176.117 -0.196 0.000 1.119 23 I CA 1.285 62.266 61.300 -0.532 0.000 1.417 23 I CB -0.480 37.071 38.000 -0.749 0.000 1.078 23 I HN 0.210 nan 8.210 nan 0.000 0.421 24 K N 0.734 121.059 120.400 -0.127 0.000 1.985 24 K HA -0.247 4.067 4.320 -0.011 0.000 0.210 24 K C 1.677 178.278 176.600 0.000 0.000 1.047 24 K CA 2.295 58.557 56.287 -0.042 0.000 0.932 24 K CB -1.410 31.074 32.500 -0.026 0.000 0.716 24 K HN 0.318 nan 8.250 nan 0.000 0.439 25 D N -0.279 120.125 120.400 0.007 0.000 2.137 25 D HA -0.095 4.539 4.640 -0.011 0.000 0.189 25 D C 2.221 178.584 176.300 0.105 0.000 0.998 25 D CA 2.261 56.293 54.000 0.053 0.000 0.839 25 D CB -0.278 40.561 40.800 0.065 0.000 0.962 25 D HN 0.578 nan 8.370 nan 0.000 0.446 26 A N -0.006 122.909 122.820 0.157 0.000 1.941 26 A HA -0.251 4.063 4.320 -0.011 0.000 0.220 26 A C 2.006 179.738 177.584 0.246 0.000 1.407 26 A CA 3.343 55.561 52.037 0.302 0.000 0.766 26 A CB -0.971 18.267 19.000 0.396 0.000 0.838 26 A HN 0.453 nan 8.150 nan 0.000 0.482 27 L N -6.014 115.336 121.223 0.211 0.000 3.227 27 L HA 0.658 4.991 4.340 -0.011 0.000 0.287 27 L C 0.680 177.627 176.870 0.129 0.000 1.161 27 L CA 0.134 55.077 54.840 0.171 0.000 1.048 27 L CB 0.206 42.393 42.059 0.212 0.000 1.541 27 L HN 0.772 nan 8.230 nan 0.000 0.590 28 G N -0.136 108.724 108.800 0.100 0.000 2.601 28 G HA2 0.459 4.413 3.960 -0.011 0.000 0.291 28 G HA3 0.459 4.413 3.960 -0.011 0.000 0.291 28 G C -0.832 174.098 174.900 0.050 0.000 1.456 28 G CA -0.199 44.954 45.100 0.089 0.000 0.804 28 G HN 0.002 nan 8.290 nan 0.000 0.499 29 E N -0.921 119.324 120.200 0.075 0.000 2.465 29 E HA 0.061 4.405 4.350 -0.011 0.000 0.209 29 E C 1.354 178.012 176.600 0.097 0.000 0.951 29 E CA -0.247 56.187 56.400 0.056 0.000 0.997 29 E CB 0.569 30.298 29.700 0.048 0.000 1.025 29 E HN 0.668 nan 8.360 nan 0.000 0.500 30 H N 1.117 120.191 119.070 0.007 0.000 2.363 30 H HA 0.019 4.569 4.556 -0.011 0.000 0.301 30 H C 2.056 177.389 175.328 0.010 0.000 1.074 30 H CA 1.002 57.057 56.048 0.013 0.000 1.354 30 H CB 0.312 30.087 29.762 0.023 0.000 1.397 30 H HN 0.079 nan 8.280 nan 0.000 0.516 31 I N 0.767 121.283 120.570 -0.091 0.000 2.286 31 I HA -0.253 3.911 4.170 -0.011 0.000 0.245 31 I C 2.527 178.568 176.117 -0.127 0.000 1.104 31 I CA 0.387 61.596 61.300 -0.152 0.000 1.397 31 I CB -0.110 37.853 38.000 -0.062 0.000 1.072 31 I HN 0.331 nan 8.210 nan 0.000 0.417 32 L N 0.746 121.921 121.223 -0.079 0.000 2.127 32 L HA -0.222 4.111 4.340 -0.011 0.000 0.211 32 L C 2.566 179.407 176.870 -0.048 0.000 1.089 32 L CA 1.785 56.586 54.840 -0.065 0.000 0.757 32 L CB -0.820 41.215 42.059 -0.040 0.000 0.899 32 L HN 0.426 nan 8.230 nan 0.000 0.434 33 E N -0.210 119.974 120.200 -0.026 0.000 2.107 33 E HA -0.195 4.148 4.350 -0.011 0.000 0.191 33 E C 2.125 178.709 176.600 -0.026 0.000 0.982 33 E CA 0.424 56.823 56.400 -0.001 0.000 0.809 33 E CB 0.203 29.936 29.700 0.056 0.000 0.756 33 E HN 0.247 nan 8.360 nan 0.000 0.459 34 R N 0.451 120.898 120.500 -0.089 0.000 2.105 34 R HA -0.098 4.236 4.340 -0.011 0.000 0.239 34 R C 2.372 178.675 176.300 0.006 0.000 1.135 34 R CA 0.796 56.848 56.100 -0.079 0.000 0.967 34 R CB -1.013 29.194 30.300 -0.156 0.000 0.861 34 R HN 0.166 nan 8.270 nan 0.000 0.442 35 V N 0.683 120.554 119.914 -0.072 0.000 2.302 35 V HA -0.126 3.988 4.120 -0.011 0.000 0.243 35 V C 2.221 178.387 176.094 0.120 0.000 1.036 35 V CA 1.412 63.668 62.300 -0.073 0.000 1.020 35 V CB -0.362 31.221 31.823 -0.401 0.000 0.657 35 V HN 0.305 nan 8.190 nan 0.000 0.453 36 E N -0.106 120.102 120.200 0.013 0.000 2.153 36 E HA -0.185 4.159 4.350 -0.011 0.000 0.194 36 E C 2.272 178.885 176.600 0.022 0.000 0.988 36 E CA 1.769 58.172 56.400 0.005 0.000 0.811 36 E CB -0.138 29.550 29.700 -0.021 0.000 0.746 36 E HN 0.566 nan 8.360 nan 0.000 0.466 37 T N 1.227 115.803 114.554 0.036 0.000 2.770 37 T HA -0.064 4.279 4.350 -0.011 0.000 0.263 37 T C 1.976 176.700 174.700 0.039 0.000 1.039 37 T CA 0.684 62.802 62.100 0.030 0.000 1.142 37 T CB -0.092 68.797 68.868 0.034 0.000 0.868 37 T HN 0.121 nan 8.240 nan 0.000 0.435 38 I N 1.234 121.859 120.570 0.092 0.000 2.286 38 I HA -0.220 3.944 4.170 -0.011 0.000 0.248 38 I C 2.661 178.767 176.117 -0.018 0.000 1.115 38 I CA 1.382 62.725 61.300 0.072 0.000 1.392 38 I CB -0.422 37.680 38.000 0.168 0.000 1.065 38 I HN 0.226 nan 8.210 nan 0.000 0.418 39 R N 1.189 121.687 120.500 -0.003 0.000 2.062 39 R HA -0.173 4.161 4.340 -0.011 0.000 0.231 39 R C 2.296 178.529 176.300 -0.111 0.000 1.136 39 R CA 1.344 57.380 56.100 -0.108 0.000 0.948 39 R CB -0.593 29.643 30.300 -0.106 0.000 0.845 39 R HN 0.335 nan 8.270 nan 0.000 0.430 40 K N 1.160 121.516 120.400 -0.073 0.000 2.015 40 K HA -0.218 4.096 4.320 -0.011 0.000 0.216 40 K C 1.989 178.539 176.600 -0.083 0.000 1.052 40 K CA 1.623 57.865 56.287 -0.076 0.000 0.937 40 K CB -0.210 32.261 32.500 -0.049 0.000 0.719 40 K HN 0.026 nan 8.250 nan 0.000 0.446 41 L N 1.528 122.715 121.223 -0.060 0.000 2.127 41 L HA -0.122 4.212 4.340 -0.011 0.000 0.211 41 L C 2.679 179.501 176.870 -0.081 0.000 1.089 41 L CA 1.806 56.615 54.840 -0.051 0.000 0.757 41 L CB -1.055 40.994 42.059 -0.016 0.000 0.899 41 L HN 0.380 nan 8.230 nan 0.000 0.434 42 S N -1.210 114.420 115.700 -0.116 0.000 2.371 42 S HA -0.176 4.288 4.470 -0.011 0.000 0.224 42 S C 2.160 176.589 174.600 -0.284 0.000 1.029 42 S CA 1.034 59.130 58.200 -0.174 0.000 0.978 42 S CB -0.095 62.995 63.200 -0.183 0.000 0.833 42 S HN 0.377 nan 8.310 nan 0.000 0.466 43 K N 0.742 120.997 120.400 -0.242 0.000 2.057 43 K HA -0.046 4.267 4.320 -0.011 0.000 0.206 43 K C 2.397 178.842 176.600 -0.259 0.000 1.050 43 K CA 1.452 57.579 56.287 -0.267 0.000 0.935 43 K CB -0.725 31.652 32.500 -0.204 0.000 0.715 43 K HN 0.397 nan 8.250 nan 0.000 0.439 44 S N 0.354 115.943 115.700 -0.185 0.000 2.354 44 S HA -0.150 4.314 4.470 -0.011 0.000 0.219 44 S C 2.080 176.574 174.600 -0.177 0.000 1.035 44 S CA 2.085 60.196 58.200 -0.148 0.000 1.037 44 S CB -0.478 62.667 63.200 -0.091 0.000 0.956 44 S HN 0.419 nan 8.310 nan 0.000 0.428 45 S N 0.839 116.443 115.700 -0.161 0.000 2.380 45 S HA -0.204 4.259 4.470 -0.011 0.000 0.229 45 S C 1.951 176.378 174.600 -0.288 0.000 1.043 45 S CA 1.844 59.981 58.200 -0.104 0.000 1.038 45 S CB -0.520 62.702 63.200 0.037 0.000 0.872 45 S HN 0.608 nan 8.310 nan 0.000 0.456 46 R N 1.091 121.148 120.500 -0.739 0.000 2.075 46 R HA 0.027 4.361 4.340 -0.011 0.000 0.232 46 R C 1.810 177.753 176.300 -0.594 0.000 1.126 46 R CA 1.308 56.680 56.100 -1.213 0.000 0.963 46 R CB -0.421 29.158 30.300 -1.203 0.000 0.858 46 R HN 0.322 nan 8.270 nan 0.000 0.435 47 A N -0.415 122.181 122.820 -0.373 0.000 2.250 47 A HA 0.217 4.531 4.320 -0.011 0.000 0.208 47 A C 1.251 178.748 177.584 -0.145 0.000 1.254 47 A CA 0.762 52.663 52.037 -0.226 0.000 0.858 47 A CB -0.720 18.172 19.000 -0.180 0.000 0.820 47 A HN 0.684 nan 8.150 nan 0.000 0.484 48 G N -0.374 108.350 108.800 -0.127 0.000 2.241 48 G HA2 -0.319 3.635 3.960 -0.011 0.000 0.244 48 G HA3 -0.319 3.635 3.960 -0.011 0.000 0.244 48 G C 0.282 175.170 174.900 -0.020 0.000 0.998 48 G CA 0.196 45.268 45.100 -0.047 0.000 0.621 48 G HN 0.768 nan 8.290 nan 0.000 0.519 49 N N 1.294 119.972 118.700 -0.037 0.000 2.400 49 N HA 0.226 4.960 4.740 -0.011 0.000 0.278 49 N C 0.595 176.115 175.510 0.015 0.000 1.247 49 N CA 0.085 53.126 53.050 -0.016 0.000 0.970 49 N CB 0.081 38.550 38.487 -0.031 0.000 1.312 49 N HN 0.179 nan 8.380 nan 0.000 0.488 50 D N 2.732 123.150 120.400 0.029 0.000 2.371 50 D HA -0.043 4.591 4.640 -0.011 0.000 0.234 50 D C 1.143 177.466 176.300 0.039 0.000 1.049 50 D CA 0.195 54.224 54.000 0.048 0.000 0.907 50 D CB 0.359 41.190 40.800 0.051 0.000 0.891 50 D HN 0.681 nan 8.370 nan 0.000 0.531 51 A N 0.392 123.228 122.820 0.026 0.000 2.014 51 A HA -0.023 4.290 4.320 -0.011 0.000 0.210 51 A C 1.891 179.490 177.584 0.025 0.000 1.188 51 A CA 0.249 52.300 52.037 0.023 0.000 0.731 51 A CB 0.124 19.132 19.000 0.014 0.000 0.858 51 A HN 0.013 nan 8.150 nan 0.000 0.464 52 N N -0.133 118.579 118.700 0.020 0.000 2.515 52 N HA -0.050 4.683 4.740 -0.011 0.000 0.185 52 N C 1.575 177.110 175.510 0.040 0.000 1.109 52 N CA 0.772 53.832 53.050 0.017 0.000 0.903 52 N CB -0.221 38.262 38.487 -0.007 0.000 0.969 52 N HN 0.666 nan 8.380 nan 0.000 0.450 53 R N 0.394 120.933 120.500 0.065 0.000 2.127 53 R HA 0.106 4.440 4.340 -0.011 0.000 0.217 53 R C 1.766 178.122 176.300 0.092 0.000 1.074 53 R CA 0.892 57.058 56.100 0.110 0.000 0.991 53 R CB 0.107 30.496 30.300 0.149 0.000 0.895 53 R HN 0.163 nan 8.270 nan 0.000 0.450 54 Q N 0.053 119.891 119.800 0.064 0.000 2.049 54 Q HA -0.181 4.153 4.340 -0.011 0.000 0.198 54 Q C 1.799 177.826 176.000 0.045 0.000 0.971 54 Q CA 1.698 57.531 55.803 0.050 0.000 0.833 54 Q CB 0.037 28.799 28.738 0.039 0.000 0.896 54 Q HN 0.245 nan 8.270 nan 0.000 0.434 55 E N 0.999 121.224 120.200 0.041 0.000 2.085 55 E HA -0.173 4.171 4.350 -0.011 0.000 0.194 55 E C 1.723 178.348 176.600 0.042 0.000 0.994 55 E CA 0.886 57.307 56.400 0.035 0.000 0.801 55 E CB -0.323 29.392 29.700 0.026 0.000 0.743 55 E HN 0.286 nan 8.360 nan 0.000 0.453 56 L N -0.095 121.159 121.223 0.052 0.000 1.994 56 L HA -0.155 4.179 4.340 -0.011 0.000 0.208 56 L C 2.281 179.196 176.870 0.075 0.000 1.071 56 L CA 1.198 56.075 54.840 0.061 0.000 0.745 56 L CB -0.335 41.771 42.059 0.079 0.000 0.892 56 L HN 0.310 nan 8.230 nan 0.000 0.431 57 L N -0.117 121.155 121.223 0.082 0.000 2.079 57 L HA -0.219 4.115 4.340 -0.011 0.000 0.210 57 L C 2.745 179.636 176.870 0.035 0.000 1.081 57 L CA 2.390 57.266 54.840 0.060 0.000 0.752 57 L CB -1.196 40.888 42.059 0.040 0.000 0.896 57 L HN 0.538 nan 8.230 nan 0.000 0.433 58 T N -5.332 109.244 114.554 0.036 0.000 2.851 58 T HA -0.128 4.215 4.350 -0.011 0.000 0.262 58 T C 1.847 176.570 174.700 0.038 0.000 1.043 58 T CA 1.402 63.521 62.100 0.032 0.000 1.140 58 T CB -0.572 68.314 68.868 0.030 0.000 0.872 58 T HN 0.126 nan 8.240 nan 0.000 0.446 59 T N 2.678 117.258 114.554 0.044 0.000 2.635 59 T HA -0.004 4.340 4.350 -0.011 0.000 0.267 59 T C 1.891 176.623 174.700 0.053 0.000 1.040 59 T CA 1.641 63.770 62.100 0.049 0.000 1.156 59 T CB -0.647 68.250 68.868 0.049 0.000 0.863 59 T HN 0.294 nan 8.240 nan 0.000 0.430 60 L N 0.595 121.852 121.223 0.057 0.000 2.046 60 L HA -0.163 4.170 4.340 -0.011 0.000 0.208 60 L C 2.865 179.766 176.870 0.052 0.000 1.077 60 L CA 1.497 56.374 54.840 0.061 0.000 0.747 60 L CB -0.615 41.486 42.059 0.069 0.000 0.896 60 L HN 0.342 nan 8.230 nan 0.000 0.432 61 Q N -0.388 119.435 119.800 0.039 0.000 2.291 61 Q HA -0.141 4.193 4.340 -0.011 0.000 0.205 61 Q C 1.488 177.516 176.000 0.047 0.000 0.970 61 Q CA 0.945 56.771 55.803 0.039 0.000 0.876 61 Q CB -0.037 28.715 28.738 0.024 0.000 0.935 61 Q HN 0.436 nan 8.270 nan 0.000 0.455 62 N N -0.145 118.583 118.700 0.047 0.000 2.398 62 N HA 0.072 4.806 4.740 -0.011 0.000 0.188 62 N C -0.278 175.266 175.510 0.056 0.000 1.122 62 N CA 0.230 53.310 53.050 0.050 0.000 0.866 62 N CB 0.291 38.808 38.487 0.051 0.000 0.970 62 N HN 0.184 nan 8.380 nan 0.000 0.462 63 L N 1.515 122.772 121.223 0.056 0.000 2.462 63 L HA 0.043 4.377 4.340 -0.011 0.000 0.272 63 L C 1.045 177.948 176.870 0.055 0.000 1.166 63 L CA -0.216 54.657 54.840 0.055 0.000 0.880 63 L CB 0.405 42.498 42.059 0.056 0.000 1.142 63 L HN 0.105 nan 8.230 nan 0.000 0.473 64 S N 2.070 117.805 115.700 0.058 0.000 2.614 64 S HA 0.104 4.568 4.470 -0.011 0.000 0.265 64 S C 0.825 175.454 174.600 0.047 0.000 1.303 64 S CA -0.553 57.680 58.200 0.054 0.000 1.000 64 S CB 0.769 64.005 63.200 0.060 0.000 0.935 64 S HN 0.698 nan 8.310 nan 0.000 0.551 65 N N 0.532 119.255 118.700 0.039 0.000 2.364 65 N HA -0.104 4.630 4.740 -0.011 0.000 0.183 65 N C 0.551 176.080 175.510 0.033 0.000 1.022 65 N CA 0.958 54.027 53.050 0.033 0.000 0.883 65 N CB -0.107 38.394 38.487 0.024 0.000 0.965 65 N HN 0.632 nan 8.380 nan 0.000 0.438 66 D N 0.746 121.169 120.400 0.039 0.000 2.289 66 D HA -0.046 4.588 4.640 -0.011 0.000 0.207 66 D C 1.286 177.613 176.300 0.046 0.000 0.966 66 D CA 0.733 54.757 54.000 0.040 0.000 0.868 66 D CB 0.202 41.028 40.800 0.044 0.000 0.943 66 D HN 0.412 nan 8.370 nan 0.000 0.514 67 E N 0.433 120.661 120.200 0.048 0.000 2.170 67 E HA -0.000 4.344 4.350 -0.011 0.000 0.191 67 E C 2.318 178.943 176.600 0.043 0.000 0.981 67 E CA -0.046 56.376 56.400 0.037 0.000 0.830 67 E CB 0.205 29.915 29.700 0.016 0.000 0.775 67 E HN 0.179 nan 8.360 nan 0.000 0.470 68 L N 1.141 122.393 121.223 0.049 0.000 1.976 68 L HA -0.301 4.033 4.340 -0.011 0.000 0.223 68 L C 2.608 179.518 176.870 0.067 0.000 1.081 68 L CA 1.476 56.352 54.840 0.060 0.000 0.784 68 L CB -0.636 41.454 42.059 0.052 0.000 0.896 68 L HN 0.218 nan 8.230 nan 0.000 0.438 69 L N -0.428 120.824 121.223 0.049 0.000 1.994 69 L HA -0.149 4.185 4.340 -0.011 0.000 0.208 69 L C -0.093 176.812 176.870 0.059 0.000 1.071 69 L CA 1.703 56.568 54.840 0.041 0.000 0.745 69 L CB -1.548 40.513 42.059 0.004 0.000 0.892 69 L HN 0.238 nan 8.230 nan 0.000 0.431 70 P HA -0.148 nan 4.420 nan 0.000 0.215 70 P C 1.921 179.342 177.300 0.201 0.000 1.153 70 P CA 1.349 64.549 63.100 0.166 0.000 0.853 70 P CB -0.041 31.762 31.700 0.170 0.000 0.788 71 V N 0.538 120.507 119.914 0.091 0.000 2.295 71 V HA -0.237 3.877 4.120 -0.011 0.000 0.246 71 V C 2.731 178.867 176.094 0.071 0.000 1.049 71 V CA 2.274 64.581 62.300 0.011 0.000 1.024 71 V CB -1.687 30.168 31.823 0.053 0.000 0.648 71 V HN 0.108 nan 8.190 nan 0.000 0.447 72 A N 0.117 123.039 122.820 0.171 0.000 1.851 72 A HA -0.251 4.063 4.320 -0.011 0.000 0.216 72 A C 2.345 180.064 177.584 0.225 0.000 1.195 72 A CA 2.043 54.220 52.037 0.233 0.000 0.622 72 A CB -0.598 18.497 19.000 0.159 0.000 0.831 72 A HN 0.502 nan 8.150 nan 0.000 0.444 73 R N -0.499 120.111 120.500 0.184 0.000 2.103 73 R HA -0.163 4.171 4.340 -0.011 0.000 0.242 73 R C 2.487 178.970 176.300 0.306 0.000 1.142 73 R CA 1.290 57.519 56.100 0.215 0.000 0.960 73 R CB -0.619 29.750 30.300 0.114 0.000 0.858 73 R HN 0.545 nan 8.270 nan 0.000 0.439 74 A N 1.139 124.118 122.820 0.266 0.000 1.851 74 A HA -0.186 4.128 4.320 -0.011 0.000 0.216 74 A C 2.057 179.745 177.584 0.174 0.000 1.195 74 A CA 1.439 53.495 52.037 0.031 0.000 0.622 74 A CB -0.949 17.928 19.000 -0.204 0.000 0.831 74 A HN 0.277 nan 8.150 nan 0.000 0.444 75 F N -0.056 120.076 119.950 0.303 0.000 2.126 75 F HA -0.203 4.317 4.527 -0.011 0.000 0.299 75 F C 3.030 178.992 175.800 0.270 0.000 1.096 75 F CA 1.333 59.519 58.000 0.309 0.000 1.255 75 F CB -0.207 38.910 39.000 0.194 0.000 0.997 75 F HN 0.286 nan 8.300 nan 0.000 0.479 76 S N -0.555 115.365 115.700 0.367 0.000 2.382 76 S HA -0.185 4.278 4.470 -0.011 0.000 0.228 76 S C 2.107 176.825 174.600 0.196 0.000 1.027 76 S CA 1.086 59.438 58.200 0.254 0.000 0.991 76 S CB -0.153 63.164 63.200 0.194 0.000 0.823 76 S HN 0.291 nan 8.310 nan 0.000 0.469 77 Q N 0.017 119.907 119.800 0.150 0.000 2.083 77 Q HA 0.010 4.343 4.340 -0.011 0.000 0.198 77 Q C 1.878 177.862 176.000 -0.027 0.000 0.969 77 Q CA 1.284 57.099 55.803 0.020 0.000 0.838 77 Q CB -0.711 27.983 28.738 -0.073 0.000 0.900 77 Q HN 0.661 nan 8.270 nan 0.000 0.436 78 F N 0.773 120.763 119.950 0.066 0.000 2.126 78 F HA -0.244 4.277 4.527 -0.011 0.000 0.299 78 F C 2.240 177.978 175.800 -0.103 0.000 1.096 78 F CA 0.811 58.818 58.000 0.013 0.000 1.255 78 F CB -0.427 38.678 39.000 0.175 0.000 0.997 78 F HN 0.121 nan 8.300 nan 0.000 0.479 79 L N 0.702 122.055 121.223 0.217 0.000 2.046 79 L HA -0.240 4.094 4.340 -0.011 0.000 0.208 79 L C 2.116 179.008 176.870 0.038 0.000 1.077 79 L CA 1.768 56.667 54.840 0.098 0.000 0.747 79 L CB -1.324 40.853 42.059 0.196 0.000 0.896 79 L HN 0.070 nan 8.230 nan 0.000 0.432 80 N N -0.045 118.699 118.700 0.073 0.000 2.104 80 N HA -0.204 4.530 4.740 -0.011 0.000 0.190 80 N C 1.848 177.375 175.510 0.028 0.000 1.024 80 N CA 1.937 55.028 53.050 0.068 0.000 0.853 80 N CB -0.231 38.294 38.487 0.065 0.000 1.008 80 N HN 0.505 nan 8.380 nan 0.000 0.424 81 L N 0.106 121.314 121.223 -0.026 0.000 2.109 81 L HA -0.037 4.297 4.340 -0.011 0.000 0.207 81 L C 2.510 179.348 176.870 -0.054 0.000 1.086 81 L CA 0.944 55.760 54.840 -0.039 0.000 0.760 81 L CB -0.537 41.484 42.059 -0.063 0.000 0.910 81 L HN 0.104 nan 8.230 nan 0.000 0.437 82 A N 0.582 123.307 122.820 -0.158 0.000 1.865 82 A HA -0.246 4.067 4.320 -0.011 0.000 0.217 82 A C 2.095 179.663 177.584 -0.028 0.000 1.191 82 A CA 2.071 53.991 52.037 -0.195 0.000 0.623 82 A CB -0.659 18.041 19.000 -0.500 0.000 0.826 82 A HN 0.434 nan 8.150 nan 0.000 0.444 83 N N -0.447 118.271 118.700 0.030 0.000 2.166 83 N HA -0.149 4.585 4.740 -0.011 0.000 0.186 83 N C 2.025 177.644 175.510 0.181 0.000 1.019 83 N CA 2.151 55.276 53.050 0.126 0.000 0.856 83 N CB -0.649 37.992 38.487 0.257 0.000 0.993 83 N HN 0.740 nan 8.380 nan 0.000 0.426 84 T N -1.120 113.519 114.554 0.142 0.000 2.867 84 T HA 0.074 4.418 4.350 -0.011 0.000 0.268 84 T C 1.999 176.807 174.700 0.180 0.000 1.057 84 T CA 1.197 63.387 62.100 0.149 0.000 1.136 84 T CB -0.150 68.773 68.868 0.092 0.000 0.874 84 T HN 0.139 nan 8.240 nan 0.000 0.466 85 A N 1.534 124.440 122.820 0.144 0.000 1.873 85 A HA -0.046 4.268 4.320 -0.011 0.000 0.215 85 A C 2.430 180.169 177.584 0.258 0.000 1.186 85 A CA 1.623 53.772 52.037 0.187 0.000 0.616 85 A CB -0.843 18.225 19.000 0.114 0.000 0.823 85 A HN 0.572 nan 8.150 nan 0.000 0.442 86 E N 0.120 120.452 120.200 0.221 0.000 2.038 86 E HA -0.256 4.088 4.350 -0.011 0.000 0.195 86 E C 2.182 179.019 176.600 0.395 0.000 1.000 86 E CA 1.859 58.453 56.400 0.323 0.000 0.803 86 E CB -0.277 29.518 29.700 0.159 0.000 0.750 86 E HN 0.776 nan 8.360 nan 0.000 0.448 87 Q N -0.897 119.087 119.800 0.307 0.000 2.167 87 Q HA -0.188 4.145 4.340 -0.011 0.000 0.202 87 Q C 2.085 178.217 176.000 0.219 0.000 0.970 87 Q CA 1.431 57.402 55.803 0.280 0.000 0.855 87 Q CB -0.348 28.550 28.738 0.266 0.000 0.911 87 Q HN 0.365 nan 8.270 nan 0.000 0.438 88 Y N 0.979 121.369 120.300 0.150 0.000 2.145 88 Y HA -0.299 4.245 4.550 -0.011 0.000 0.286 88 Y C 2.288 178.239 175.900 0.085 0.000 1.145 88 Y CA 1.931 60.090 58.100 0.099 0.000 1.148 88 Y CB -0.597 37.914 38.460 0.084 0.000 0.981 88 Y HN 0.232 nan 8.280 nan 0.000 0.507 89 H N -0.285 118.631 119.070 -0.256 0.000 2.390 89 H HA -0.157 4.392 4.556 -0.011 0.000 0.298 89 H C 1.937 176.996 175.328 -0.448 0.000 1.106 89 H CA 1.888 57.724 56.048 -0.354 0.000 1.297 89 H CB -0.002 29.671 29.762 -0.149 0.000 1.375 89 H HN 0.493 nan 8.280 nan 0.000 0.509 90 S N 1.183 116.744 115.700 -0.231 0.000 2.402 90 S HA -0.089 4.375 4.470 -0.011 0.000 0.229 90 S C 2.170 176.610 174.600 -0.267 0.000 1.021 90 S CA 1.232 59.286 58.200 -0.242 0.000 0.974 90 S CB -0.094 63.176 63.200 0.117 0.000 0.800 90 S HN 0.625 nan 8.310 nan 0.000 0.484 91 I N 0.673 121.085 120.570 -0.263 0.000 3.941 91 I HA 0.211 4.374 4.170 -0.011 0.000 0.321 91 I C 0.687 176.624 176.117 -0.299 0.000 1.284 91 I CA -0.014 61.155 61.300 -0.218 0.000 1.226 91 I CB -1.006 36.929 38.000 -0.108 0.000 1.045 91 I HN 0.191 nan 8.210 nan 0.000 0.420 92 S N 3.766 119.163 115.700 -0.504 0.000 2.533 92 S HA 0.263 4.726 4.470 -0.011 0.000 0.282 92 S C -1.308 173.092 174.600 -0.333 0.000 1.304 92 S CA -0.747 57.174 58.200 -0.464 0.000 1.063 92 S CB 0.820 63.586 63.200 -0.725 0.000 0.881 92 S HN 0.071 nan 8.310 nan 0.000 0.493 93 P HA 0.029 nan 4.420 nan 0.000 0.221 93 P C 0.506 177.699 177.300 -0.179 0.000 1.145 93 P CA 1.575 64.576 63.100 -0.166 0.000 0.795 93 P CB -0.287 31.352 31.700 -0.101 0.000 0.775 94 K N 0.345 120.632 120.400 -0.187 0.000 2.805 94 K HA 0.600 4.913 4.320 -0.011 0.000 0.227 94 K C 0.497 176.936 176.600 -0.268 0.000 1.207 94 K CA 0.065 56.253 56.287 -0.165 0.000 1.153 94 K CB -0.121 32.328 32.500 -0.086 0.000 1.688 94 K HN 0.333 nan 8.250 nan 0.000 0.467 95 G N -0.726 107.824 108.800 -0.417 0.000 2.428 95 G HA2 0.288 4.242 3.960 -0.011 0.000 0.305 95 G HA3 0.288 4.242 3.960 -0.011 0.000 0.305 95 G C -0.270 174.257 174.900 -0.621 0.000 1.260 95 G CA -0.419 44.210 45.100 -0.784 0.000 0.853 95 G HN 0.019 nan 8.290 nan 0.000 0.480 96 E N 0.068 119.807 120.200 -0.769 0.000 2.331 96 E HA 0.074 4.417 4.350 -0.011 0.000 0.199 96 E C 1.883 178.274 176.600 -0.348 0.000 1.008 96 E CA 1.362 57.455 56.400 -0.512 0.000 0.843 96 E CB -0.336 28.975 29.700 -0.648 0.000 0.761 96 E HN 1.612 nan 8.360 nan 0.000 0.507 97 A N -0.272 122.337 122.820 -0.353 0.000 2.745 97 A HA -0.280 4.034 4.320 -0.011 0.000 0.296 97 A C 1.745 179.232 177.584 -0.162 0.000 1.500 97 A CA 1.155 53.050 52.037 -0.237 0.000 0.766 97 A CB -2.001 16.888 19.000 -0.186 0.000 1.030 97 A HN 0.345 nan 8.150 nan 0.000 0.489 98 A N 0.039 122.771 122.820 -0.148 0.000 2.009 98 A HA -0.083 4.230 4.320 -0.011 0.000 0.222 98 A C 2.103 179.645 177.584 -0.071 0.000 1.175 98 A CA 2.503 54.486 52.037 -0.090 0.000 0.651 98 A CB -0.814 18.149 19.000 -0.061 0.000 0.815 98 A HN 2.194 nan 8.150 nan 0.000 0.459 99 S N -1.242 114.419 115.700 -0.067 0.000 2.573 99 S HA 0.185 4.649 4.470 -0.011 0.000 0.244 99 S C 0.023 174.606 174.600 -0.030 0.000 0.984 99 S CA -0.205 57.974 58.200 -0.036 0.000 1.001 99 S CB -0.858 62.329 63.200 -0.022 0.000 0.788 99 S HN 0.578 nan 8.310 nan 0.000 0.456 100 N N 2.543 121.215 118.700 -0.046 0.000 2.430 100 N HA 0.275 5.008 4.740 -0.011 0.000 0.265 100 N C -2.092 173.405 175.510 -0.022 0.000 1.100 100 N CA -1.937 51.089 53.050 -0.039 0.000 0.961 100 N CB 0.839 39.293 38.487 -0.055 0.000 1.075 100 N HN -0.037 nan 8.380 nan 0.000 0.478 101 P HA -0.158 nan 4.420 nan 0.000 0.238 101 P C 0.443 177.742 177.300 -0.002 0.000 1.175 101 P CA 0.741 63.843 63.100 0.004 0.000 0.757 101 P CB 0.127 31.830 31.700 0.005 0.000 0.839 102 E N -0.268 119.924 120.200 -0.014 0.000 2.285 102 E HA -0.071 4.273 4.350 -0.011 0.000 0.194 102 E C 1.743 178.335 176.600 -0.013 0.000 0.997 102 E CA 0.536 56.927 56.400 -0.015 0.000 0.845 102 E CB -0.103 29.583 29.700 -0.023 0.000 0.782 102 E HN 0.056 nan 8.360 nan 0.000 0.491 103 V N 1.782 121.685 119.914 -0.018 0.000 2.324 103 V HA -0.301 3.813 4.120 -0.011 0.000 0.250 103 V C 2.407 178.506 176.094 0.009 0.000 1.060 103 V CA 1.369 63.655 62.300 -0.024 0.000 1.042 103 V CB -0.414 31.392 31.823 -0.028 0.000 0.650 103 V HN 0.296 nan 8.190 nan 0.000 0.450 104 I N 0.393 120.981 120.570 0.030 0.000 2.193 104 I HA -0.123 4.041 4.170 -0.011 0.000 0.240 104 I C 2.769 178.909 176.117 0.038 0.000 1.084 104 I CA 1.805 63.138 61.300 0.054 0.000 1.365 104 I CB -1.756 36.282 38.000 0.063 0.000 1.064 104 I HN 0.305 nan 8.210 nan 0.000 0.410 105 A N 2.085 124.916 122.820 0.019 0.000 1.940 105 A HA -0.258 4.055 4.320 -0.011 0.000 0.219 105 A C 2.350 179.943 177.584 0.015 0.000 1.176 105 A CA 2.293 54.336 52.037 0.010 0.000 0.631 105 A CB -0.678 18.322 19.000 0.000 0.000 0.814 105 A HN 0.546 nan 8.150 nan 0.000 0.446 106 R N -0.784 119.723 120.500 0.012 0.000 2.073 106 R HA -0.070 4.264 4.340 -0.011 0.000 0.234 106 R C 1.906 178.225 176.300 0.033 0.000 1.134 106 R CA 2.134 58.242 56.100 0.013 0.000 0.952 106 R CB -1.753 28.546 30.300 -0.003 0.000 0.850 106 R HN 0.278 nan 8.270 nan 0.000 0.433 107 T N 1.608 116.191 114.554 0.048 0.000 2.674 107 T HA -0.002 4.342 4.350 -0.011 0.000 0.265 107 T C 1.818 176.557 174.700 0.066 0.000 1.039 107 T CA 1.566 63.716 62.100 0.082 0.000 1.150 107 T CB -0.271 68.668 68.868 0.119 0.000 0.864 107 T HN 0.108 nan 8.240 nan 0.000 0.427 108 L N 0.230 121.484 121.223 0.051 0.000 2.131 108 L HA -0.085 4.249 4.340 -0.011 0.000 0.210 108 L C 2.883 179.772 176.870 0.032 0.000 1.092 108 L CA 1.246 56.109 54.840 0.038 0.000 0.759 108 L CB -0.439 41.628 42.059 0.014 0.000 0.903 108 L HN 0.178 nan 8.230 nan 0.000 0.435 109 R N 0.128 120.644 120.500 0.028 0.000 2.062 109 R HA -0.175 4.159 4.340 -0.011 0.000 0.229 109 R C 2.324 178.644 176.300 0.034 0.000 1.128 109 R CA 1.372 57.487 56.100 0.025 0.000 0.960 109 R CB -0.192 30.119 30.300 0.019 0.000 0.855 109 R HN 0.210 nan 8.270 nan 0.000 0.432 110 K N 1.107 121.531 120.400 0.040 0.000 2.032 110 K HA -0.223 4.090 4.320 -0.011 0.000 0.218 110 K C 2.024 178.654 176.600 0.049 0.000 1.054 110 K CA 1.746 58.061 56.287 0.046 0.000 0.941 110 K CB -0.288 32.246 32.500 0.058 0.000 0.720 110 K HN 0.078 nan 8.250 nan 0.000 0.449 111 L N 0.830 122.086 121.223 0.054 0.000 1.956 111 L HA -0.265 4.068 4.340 -0.011 0.000 0.216 111 L C 2.817 179.718 176.870 0.050 0.000 1.073 111 L CA 2.048 56.921 54.840 0.056 0.000 0.762 111 L CB -0.737 41.359 42.059 0.062 0.000 0.889 111 L HN 0.357 nan 8.230 nan 0.000 0.433 112 K N 0.968 121.396 120.400 0.048 0.000 2.107 112 K HA -0.220 4.094 4.320 -0.011 0.000 0.211 112 K C 0.412 177.037 176.600 0.040 0.000 1.049 112 K CA 2.058 58.373 56.287 0.046 0.000 0.927 112 K CB -0.207 32.317 32.500 0.039 0.000 0.714 112 K HN 0.513 nan 8.250 nan 0.000 0.452 113 N N 0.944 119.666 118.700 0.037 0.000 3.114 113 N HA 0.075 4.808 4.740 -0.011 0.000 0.289 113 N C -1.385 174.146 175.510 0.035 0.000 1.519 113 N CA -0.405 52.665 53.050 0.033 0.000 1.026 113 N CB 1.239 39.743 38.487 0.028 0.000 1.306 113 N HN 0.011 nan 8.380 nan 0.000 0.495 114 Q N 1.339 121.161 119.800 0.037 0.000 2.337 114 Q HA 0.339 4.673 4.340 -0.011 0.000 0.264 114 Q C -2.678 173.343 176.000 0.036 0.000 1.007 114 Q CA -1.585 54.241 55.803 0.038 0.000 0.727 114 Q CB 2.748 31.513 28.738 0.044 0.000 1.256 114 Q HN 0.395 nan 8.270 nan 0.000 0.467 115 P HA -0.023 nan 4.420 nan 0.000 0.268 115 P C -0.160 177.158 177.300 0.030 0.000 1.208 115 P CA 0.334 63.451 63.100 0.029 0.000 0.777 115 P CB 0.630 32.346 31.700 0.026 0.000 0.875 116 E N -0.877 119.340 120.200 0.027 0.000 2.957 116 E HA -0.180 4.163 4.350 -0.011 0.000 0.287 116 E C -0.614 176.004 176.600 0.030 0.000 0.976 116 E CA 0.660 57.076 56.400 0.027 0.000 0.907 116 E CB -1.906 27.810 29.700 0.027 0.000 1.456 116 E HN 0.497 nan 8.360 nan 0.000 0.421 117 L N 1.422 122.664 121.223 0.032 0.000 2.492 117 L HA 0.216 4.550 4.340 -0.011 0.000 0.258 117 L C 0.202 177.093 176.870 0.035 0.000 1.028 117 L CA -0.373 54.489 54.840 0.036 0.000 0.900 117 L CB 0.986 43.070 42.059 0.042 0.000 1.191 117 L HN 0.125 nan 8.230 nan 0.000 0.459 118 S N 0.597 116.315 115.700 0.030 0.000 2.562 118 S HA 0.100 4.564 4.470 -0.011 0.000 0.281 118 S C 0.906 175.527 174.600 0.035 0.000 1.333 118 S CA -0.505 57.711 58.200 0.027 0.000 1.052 118 S CB 1.549 64.760 63.200 0.017 0.000 0.884 118 S HN 0.661 nan 8.310 nan 0.000 0.506 119 E N 2.124 122.347 120.200 0.038 0.000 2.209 119 E HA -0.121 4.223 4.350 -0.011 0.000 0.196 119 E C 2.160 178.784 176.600 0.040 0.000 0.993 119 E CA 1.655 58.089 56.400 0.056 0.000 0.819 119 E CB -0.500 29.241 29.700 0.068 0.000 0.745 119 E HN 0.959 nan 8.360 nan 0.000 0.477 120 D N -0.304 120.100 120.400 0.007 0.000 2.183 120 D HA -0.096 4.538 4.640 -0.011 0.000 0.203 120 D C 1.992 178.290 176.300 -0.003 0.000 0.969 120 D CA 1.383 55.371 54.000 -0.021 0.000 0.842 120 D CB -0.819 39.963 40.800 -0.030 0.000 0.957 120 D HN 0.086 nan 8.370 nan 0.000 0.484 121 T N 0.215 114.777 114.554 0.014 0.000 2.746 121 T HA -0.050 4.293 4.350 -0.011 0.000 0.267 121 T C 2.219 176.941 174.700 0.036 0.000 1.039 121 T CA 1.061 63.174 62.100 0.021 0.000 1.142 121 T CB -0.258 68.625 68.868 0.026 0.000 0.866 121 T HN 0.519 nan 8.240 nan 0.000 0.444 122 I N 0.882 121.486 120.570 0.056 0.000 2.142 122 I HA -0.188 3.976 4.170 -0.011 0.000 0.240 122 I C 2.639 178.823 176.117 0.111 0.000 1.078 122 I CA 1.370 62.722 61.300 0.087 0.000 1.343 122 I CB -0.398 37.667 38.000 0.110 0.000 1.046 122 I HN 0.191 nan 8.210 nan 0.000 0.405 123 K N 1.642 122.109 120.400 0.111 0.000 2.074 123 K HA -0.221 4.093 4.320 -0.011 0.000 0.209 123 K C 2.080 178.692 176.600 0.020 0.000 1.048 123 K CA 1.644 57.984 56.287 0.089 0.000 0.926 123 K CB 0.012 32.428 32.500 -0.140 0.000 0.713 123 K HN 0.232 nan 8.250 nan 0.000 0.444 124 K N -0.307 120.087 120.400 -0.010 0.000 2.211 124 K HA -0.068 4.246 4.320 -0.011 0.000 0.203 124 K C 2.076 178.673 176.600 -0.005 0.000 1.050 124 K CA 0.951 57.220 56.287 -0.030 0.000 0.945 124 K CB -0.008 32.474 32.500 -0.030 0.000 0.732 124 K HN 0.213 nan 8.250 nan 0.000 0.451 125 A N 1.124 123.963 122.820 0.031 0.000 1.968 125 A HA -0.067 4.247 4.320 -0.011 0.000 0.217 125 A C 2.354 179.982 177.584 0.074 0.000 1.169 125 A CA 0.927 52.994 52.037 0.050 0.000 0.638 125 A CB -0.417 18.619 19.000 0.061 0.000 0.812 125 A HN 0.034 nan 8.150 nan 0.000 0.446 126 V N 0.444 120.413 119.914 0.091 0.000 2.261 126 V HA -0.265 3.849 4.120 -0.011 0.000 0.246 126 V C 2.265 178.406 176.094 0.078 0.000 1.047 126 V CA 2.297 64.676 62.300 0.131 0.000 1.015 126 V CB -0.841 31.094 31.823 0.186 0.000 0.642 126 V HN 0.674 nan 8.190 nan 0.000 0.446 127 E N 0.587 120.740 120.200 -0.079 0.000 2.401 127 E HA -0.143 4.201 4.350 -0.011 0.000 0.199 127 E C 1.811 178.197 176.600 -0.357 0.000 1.023 127 E CA 1.294 57.457 56.400 -0.395 0.000 0.859 127 E CB -0.150 29.355 29.700 -0.325 0.000 0.780 127 E HN 0.726 nan 8.360 nan 0.000 0.523 128 S N -0.158 115.505 115.700 -0.062 0.000 2.578 128 S HA 0.125 4.589 4.470 -0.011 0.000 0.231 128 S C 0.535 175.230 174.600 0.158 0.000 0.994 128 S CA -0.590 57.630 58.200 0.033 0.000 0.956 128 S CB 0.225 63.433 63.200 0.012 0.000 0.870 128 S HN -0.043 nan 8.310 nan 0.000 0.494 129 L N 3.305 124.687 121.223 0.266 0.000 2.499 129 L HA 0.487 4.821 4.340 -0.011 0.000 0.281 129 L C 0.440 177.443 176.870 0.222 0.000 1.234 129 L CA 0.857 55.844 54.840 0.246 0.000 0.839 129 L CB 0.966 43.205 42.059 0.300 0.000 1.104 129 L HN 0.577 nan 8.230 nan 0.000 0.500 130 S N 3.378 119.143 115.700 0.109 0.000 2.590 130 S HA 0.626 5.090 4.470 -0.011 0.000 0.286 130 S C -1.530 173.063 174.600 -0.011 0.000 1.147 130 S CA -0.770 57.455 58.200 0.042 0.000 0.963 130 S CB 0.537 63.763 63.200 0.042 0.000 1.124 130 S HN 0.284 nan 8.310 nan 0.000 0.458 131 L N 3.183 124.375 121.223 -0.052 0.000 2.381 131 L HA 0.746 5.079 4.340 -0.011 0.000 0.268 131 L C -0.160 176.601 176.870 -0.183 0.000 0.997 131 L CA -0.276 54.498 54.840 -0.110 0.000 0.818 131 L CB 1.849 43.855 42.059 -0.087 0.000 1.310 131 L HN 0.830 nan 8.230 nan 0.000 0.416 132 E N 3.130 123.191 120.200 -0.232 0.000 2.302 132 E HA 0.455 4.798 4.350 -0.011 0.000 0.263 132 E C -1.788 174.607 176.600 -0.342 0.000 0.897 132 E CA -0.575 55.653 56.400 -0.287 0.000 0.809 132 E CB 1.182 30.751 29.700 -0.218 0.000 1.270 132 E HN 0.389 nan 8.360 nan 0.000 0.410 133 L N 4.414 125.308 121.223 -0.549 0.000 2.287 133 L HA 0.454 4.788 4.340 -0.011 0.000 0.287 133 L C -0.192 176.491 176.870 -0.311 0.000 1.022 133 L CA -0.971 53.590 54.840 -0.464 0.000 0.814 133 L CB 1.048 42.717 42.059 -0.650 0.000 1.217 133 L HN 0.347 nan 8.230 nan 0.000 0.420 134 V N 5.099 124.932 119.914 -0.136 0.000 2.348 134 V HA 0.328 4.442 4.120 -0.011 0.000 0.270 134 V C 0.583 176.653 176.094 -0.041 0.000 1.037 134 V CA -0.549 61.711 62.300 -0.068 0.000 0.872 134 V CB 1.344 33.118 31.823 -0.081 0.000 1.002 134 V HN 0.519 nan 8.190 nan 0.000 0.464 135 L N 4.268 125.533 121.223 0.070 0.000 2.397 135 L HA 0.468 4.801 4.340 -0.011 0.000 0.271 135 L C 0.619 177.568 176.870 0.133 0.000 1.148 135 L CA 0.521 55.445 54.840 0.141 0.000 0.825 135 L CB 0.764 42.958 42.059 0.224 0.000 1.117 135 L HN 0.550 nan 8.230 nan 0.000 0.456 136 T N 1.102 115.750 114.554 0.156 0.000 2.916 136 T HA 0.659 5.003 4.350 -0.011 0.000 0.292 136 T C -0.228 174.565 174.700 0.154 0.000 1.055 136 T CA -0.431 61.747 62.100 0.130 0.000 1.009 136 T CB 1.781 70.649 68.868 -0.001 0.000 1.118 136 T HN 0.703 nan 8.240 nan 0.000 0.497 137 A N 1.855 124.714 122.820 0.065 0.000 2.406 137 A HA 0.370 4.684 4.320 -0.011 0.000 0.243 137 A C -0.083 177.387 177.584 -0.190 0.000 1.082 137 A CA -0.091 51.866 52.037 -0.134 0.000 0.786 137 A CB -0.011 18.926 19.000 -0.105 0.000 1.029 137 A HN 0.847 nan 8.150 nan 0.000 0.495 138 H N 2.106 120.820 119.070 -0.592 0.000 2.652 138 H HA 0.333 4.882 4.556 -0.011 0.000 0.298 138 H C -1.949 173.224 175.328 -0.258 0.000 1.076 138 H CA -2.218 53.601 56.048 -0.381 0.000 1.360 138 H CB 1.312 30.716 29.762 -0.598 0.000 1.421 138 H HN 0.282 nan 8.280 nan 0.000 0.464 139 P HA -0.039 nan 4.420 nan 0.000 0.221 139 P C 0.393 177.750 177.300 0.095 0.000 1.150 139 P CA 0.954 64.038 63.100 -0.026 0.000 0.800 139 P CB 0.329 31.801 31.700 -0.381 0.000 0.787 140 T N -3.225 111.554 114.554 0.375 0.000 3.393 140 T HA 0.328 4.672 4.350 -0.011 0.000 0.255 140 T C -0.149 174.446 174.700 -0.176 0.000 1.008 140 T CA -0.577 61.617 62.100 0.155 0.000 1.053 140 T CB -0.452 68.622 68.868 0.344 0.000 1.120 140 T HN -0.115 nan 8.240 nan 0.000 0.538 141 E N 1.304 121.254 120.200 -0.417 0.000 2.052 141 E HA 0.321 4.665 4.350 -0.011 0.000 0.283 141 E C 0.677 177.147 176.600 -0.216 0.000 1.071 141 E CA -0.455 55.639 56.400 -0.511 0.000 0.851 141 E CB 0.143 29.478 29.700 -0.608 0.000 1.066 141 E HN 0.477 nan 8.360 nan 0.000 0.396 142 I N 3.475 123.965 120.570 -0.133 0.000 3.030 142 I HA -0.037 4.127 4.170 -0.011 0.000 0.270 142 I C 0.565 176.656 176.117 -0.043 0.000 1.211 142 I CA 0.657 61.920 61.300 -0.062 0.000 1.479 142 I CB 0.086 38.073 38.000 -0.023 0.000 1.105 142 I HN 0.596 nan 8.210 nan 0.000 0.447 143 T N -1.884 112.648 114.554 -0.037 0.000 2.884 143 T HA 0.278 4.622 4.350 -0.011 0.000 0.277 143 T C 0.996 175.692 174.700 -0.008 0.000 0.976 143 T CA -0.763 61.329 62.100 -0.014 0.000 0.956 143 T CB 1.243 70.112 68.868 0.002 0.000 1.113 143 T HN 0.317 nan 8.240 nan 0.000 0.554 144 R N -0.758 119.745 120.500 0.005 0.000 2.334 144 R HA 0.426 4.760 4.340 -0.011 0.000 0.212 144 R C 0.503 176.826 176.300 0.037 0.000 0.897 144 R CA -0.579 55.528 56.100 0.011 0.000 1.056 144 R CB 0.144 30.445 30.300 0.001 0.000 1.046 144 R HN 0.309 nan 8.270 nan 0.000 0.513 145 R N 1.905 122.438 120.500 0.055 0.000 2.744 145 R HA 0.201 4.535 4.340 -0.011 0.000 0.279 145 R C -1.051 175.323 176.300 0.123 0.000 0.977 145 R CA -0.596 55.556 56.100 0.087 0.000 0.906 145 R CB 1.541 31.891 30.300 0.084 0.000 1.197 145 R HN 0.182 nan 8.270 nan 0.000 0.463 146 T N 1.395 116.046 114.554 0.161 0.000 2.916 146 T HA 0.199 4.543 4.350 -0.011 0.000 0.303 146 T C 1.006 175.799 174.700 0.155 0.000 1.025 146 T CA -0.313 61.897 62.100 0.183 0.000 1.142 146 T CB 0.324 69.280 68.868 0.148 0.000 0.947 146 T HN 0.536 nan 8.240 nan 0.000 0.544 147 L N 3.051 124.324 121.223 0.084 0.000 2.607 147 L HA 0.157 4.491 4.340 -0.011 0.000 0.228 147 L C 1.985 178.798 176.870 -0.095 0.000 1.123 147 L CA -0.424 54.392 54.840 -0.039 0.000 0.890 147 L CB -0.519 41.529 42.059 -0.018 0.000 1.103 147 L HN 0.646 nan 8.230 nan 0.000 0.468 148 I N 0.970 121.539 120.570 -0.003 0.000 2.065 148 I HA -0.395 3.769 4.170 -0.011 0.000 0.236 148 I C 2.861 178.960 176.117 -0.031 0.000 1.028 148 I CA 2.271 63.557 61.300 -0.022 0.000 1.299 148 I CB -1.885 36.095 38.000 -0.035 0.000 1.015 148 I HN 0.546 nan 8.210 nan 0.000 0.396 149 H N 2.529 121.579 119.070 -0.034 0.000 2.394 149 H HA -0.176 4.373 4.556 -0.011 0.000 0.297 149 H C 1.753 177.072 175.328 -0.014 0.000 1.113 149 H CA 1.631 57.664 56.048 -0.026 0.000 1.277 149 H CB -0.732 29.013 29.762 -0.029 0.000 1.370 149 H HN 0.419 nan 8.280 nan 0.000 0.506 150 K N -0.173 119.873 120.400 -0.589 0.000 2.057 150 K HA -0.072 4.242 4.320 -0.011 0.000 0.207 150 K C 2.303 178.820 176.600 -0.138 0.000 1.049 150 K CA 1.073 57.169 56.287 -0.319 0.000 0.931 150 K CB -0.139 32.162 32.500 -0.332 0.000 0.714 150 K HN 0.231 nan 8.250 nan 0.000 0.440 151 M N 0.888 120.422 119.600 -0.111 0.000 2.149 151 M HA -0.116 4.358 4.480 -0.011 0.000 0.261 151 M C 2.254 178.543 176.300 -0.018 0.000 1.064 151 M CA 1.120 56.392 55.300 -0.046 0.000 1.102 151 M CB -0.850 31.729 32.600 -0.036 0.000 1.369 151 M HN -0.140 nan 8.290 nan 0.000 0.408 152 V N -0.400 119.505 119.914 -0.015 0.000 2.407 152 V HA -0.256 3.858 4.120 -0.011 0.000 0.248 152 V C 2.412 178.509 176.094 0.005 0.000 1.055 152 V CA 1.684 63.990 62.300 0.011 0.000 1.049 152 V CB -0.536 31.300 31.823 0.023 0.000 0.662 152 V HN 0.498 nan 8.190 nan 0.000 0.455 153 E N -0.219 119.975 120.200 -0.010 0.000 2.028 153 E HA -0.155 4.189 4.350 -0.011 0.000 0.190 153 E C 2.282 178.863 176.600 -0.031 0.000 0.984 153 E CA 1.443 57.833 56.400 -0.016 0.000 0.800 153 E CB -0.044 29.646 29.700 -0.017 0.000 0.758 153 E HN 0.430 nan 8.360 nan 0.000 0.448 154 V N 1.857 121.748 119.914 -0.037 0.000 2.380 154 V HA -0.306 3.808 4.120 -0.011 0.000 0.251 154 V C 2.185 178.242 176.094 -0.061 0.000 1.063 154 V CA 2.148 64.420 62.300 -0.048 0.000 1.055 154 V CB -0.769 31.031 31.823 -0.038 0.000 0.657 154 V HN 0.319 nan 8.190 nan 0.000 0.455 155 N N 0.324 119.008 118.700 -0.028 0.000 2.188 155 N HA -0.123 4.611 4.740 -0.011 0.000 0.184 155 N C 1.722 177.204 175.510 -0.047 0.000 1.018 155 N CA 1.479 54.524 53.050 -0.009 0.000 0.858 155 N CB -0.279 38.254 38.487 0.077 0.000 0.989 155 N HN 0.419 nan 8.380 nan 0.000 0.426 156 A N -0.169 122.634 122.820 -0.028 0.000 1.898 156 A HA -0.108 4.206 4.320 -0.011 0.000 0.216 156 A C 2.615 180.153 177.584 -0.077 0.000 1.181 156 A CA 1.318 53.337 52.037 -0.029 0.000 0.620 156 A CB -1.170 17.822 19.000 -0.013 0.000 0.819 156 A HN 0.562 nan 8.150 nan 0.000 0.442 157 C N -0.667 118.577 119.300 -0.093 0.000 2.413 157 C HA -0.080 4.374 4.460 -0.011 0.000 0.276 157 C C 2.662 177.541 174.990 -0.184 0.000 1.248 157 C CA 1.166 60.112 59.018 -0.119 0.000 1.742 157 C CB -1.506 26.174 27.740 -0.101 0.000 2.017 157 C HN 0.632 nan 8.230 nan 0.000 0.481 158 L N 0.670 121.725 121.223 -0.279 0.000 2.093 158 L HA -0.140 4.194 4.340 -0.011 0.000 0.208 158 L C 2.515 179.051 176.870 -0.557 0.000 1.085 158 L CA 1.526 56.078 54.840 -0.480 0.000 0.755 158 L CB -0.726 40.865 42.059 -0.779 0.000 0.904 158 L HN 0.355 nan 8.230 nan 0.000 0.435 159 K N 0.449 120.601 120.400 -0.414 0.000 2.009 159 K HA -0.241 4.073 4.320 -0.011 0.000 0.210 159 K C 2.194 178.761 176.600 -0.055 0.000 1.049 159 K CA 1.690 57.914 56.287 -0.106 0.000 0.929 159 K CB -0.078 32.450 32.500 0.047 0.000 0.714 159 K HN 0.284 nan 8.250 nan 0.000 0.440 160 Q N 0.169 119.923 119.800 -0.077 0.000 2.124 160 Q HA -0.115 4.219 4.340 -0.011 0.000 0.202 160 Q C 2.077 178.039 176.000 -0.063 0.000 0.977 160 Q CA 1.439 57.207 55.803 -0.058 0.000 0.850 160 Q CB -0.051 28.648 28.738 -0.065 0.000 0.901 160 Q HN 0.346 nan 8.270 nan 0.000 0.429 161 L N 0.454 121.617 121.223 -0.100 0.000 2.456 161 L HA -0.133 4.200 4.340 -0.011 0.000 0.224 161 L C 1.462 178.329 176.870 -0.004 0.000 1.148 161 L CA 0.388 55.186 54.840 -0.069 0.000 0.825 161 L CB -0.084 41.901 42.059 -0.123 0.000 0.937 161 L HN 0.104 nan 8.230 nan 0.000 0.450 162 D N 0.038 120.435 120.400 -0.005 0.000 2.317 162 D HA -0.104 4.530 4.640 -0.011 0.000 0.211 162 D C 0.898 177.225 176.300 0.046 0.000 0.966 162 D CA 0.264 54.296 54.000 0.053 0.000 0.876 162 D CB -0.041 40.834 40.800 0.124 0.000 0.927 162 D HN 0.276 nan 8.370 nan 0.000 0.519 163 N N 0.300 119.016 118.700 0.026 0.000 2.452 163 N HA 0.129 4.862 4.740 -0.011 0.000 0.266 163 N C 0.172 175.694 175.510 0.019 0.000 1.209 163 N CA -0.193 52.868 53.050 0.018 0.000 0.929 163 N CB 0.377 38.866 38.487 0.003 0.000 1.063 163 N HN -0.031 nan 8.380 nan 0.000 0.472 164 K N 2.211 122.619 120.400 0.014 0.000 2.132 164 K HA 0.076 4.389 4.320 -0.011 0.000 0.240 164 K C 0.520 177.118 176.600 -0.002 0.000 1.036 164 K CA 0.308 56.600 56.287 0.008 0.000 0.888 164 K CB -0.059 32.444 32.500 0.005 0.000 1.071 164 K HN 0.812 nan 8.250 nan 0.000 0.502 165 D N -1.445 118.950 120.400 -0.009 0.000 2.911 165 D HA -0.166 4.468 4.640 -0.011 0.000 0.227 165 D C 0.207 176.492 176.300 -0.026 0.000 1.164 165 D CA 1.442 55.433 54.000 -0.015 0.000 0.782 165 D CB -1.860 38.933 40.800 -0.011 0.000 1.094 165 D HN 0.797 nan 8.370 nan 0.000 0.425 166 I N -2.583 117.972 120.570 -0.024 0.000 2.371 166 I HA 0.552 4.716 4.170 -0.011 0.000 0.290 166 I C 0.859 176.928 176.117 -0.080 0.000 1.028 166 I CA -0.933 60.339 61.300 -0.046 0.000 1.345 166 I CB 1.369 39.354 38.000 -0.026 0.000 1.407 166 I HN -0.018 nan 8.210 nan 0.000 0.501 167 A N 5.492 128.212 122.820 -0.167 0.000 2.567 167 A HA -0.007 4.307 4.320 -0.011 0.000 0.240 167 A C 1.384 178.848 177.584 -0.199 0.000 1.053 167 A CA 0.256 52.159 52.037 -0.224 0.000 0.755 167 A CB -0.056 18.628 19.000 -0.526 0.000 0.978 167 A HN 0.957 nan 8.150 nan 0.000 0.507 168 D N 2.348 122.729 120.400 -0.031 0.000 2.203 168 D HA -0.340 4.294 4.640 -0.011 0.000 0.199 168 D C 1.310 177.672 176.300 0.102 0.000 0.997 168 D CA 2.396 56.419 54.000 0.038 0.000 0.863 168 D CB -0.547 40.287 40.800 0.056 0.000 0.928 168 D HN 0.942 nan 8.370 nan 0.000 0.458 169 Y N 0.858 121.189 120.300 0.052 0.000 2.242 169 Y HA 0.053 4.597 4.550 -0.011 0.000 0.291 169 Y C 2.226 178.156 175.900 0.051 0.000 1.137 169 Y CA 0.697 58.824 58.100 0.045 0.000 1.181 169 Y CB -0.722 37.754 38.460 0.027 0.000 0.989 169 Y HN -0.117 nan 8.280 nan 0.000 0.527 170 E N 0.134 120.111 120.200 -0.372 0.000 2.051 170 E HA -0.249 4.094 4.350 -0.011 0.000 0.192 170 E C 2.122 178.681 176.600 -0.070 0.000 0.991 170 E CA 1.182 57.451 56.400 -0.218 0.000 0.799 170 E CB -0.442 29.088 29.700 -0.284 0.000 0.748 170 E HN 0.586 nan 8.360 nan 0.000 0.449 171 H N 1.151 120.150 119.070 -0.117 0.000 2.353 171 H HA -0.152 4.398 4.556 -0.011 0.000 0.298 171 H C 2.037 177.347 175.328 -0.029 0.000 1.103 171 H CA 1.514 57.524 56.048 -0.063 0.000 1.293 171 H CB 0.051 29.782 29.762 -0.051 0.000 1.372 171 H HN 0.149 nan 8.280 nan 0.000 0.501 172 N N 0.732 119.509 118.700 0.128 0.000 2.120 172 N HA -0.151 4.583 4.740 -0.011 0.000 0.188 172 N C 1.917 177.436 175.510 0.014 0.000 1.024 172 N CA 1.274 54.380 53.050 0.094 0.000 0.852 172 N CB -0.003 38.561 38.487 0.129 0.000 1.003 172 N HN 0.557 nan 8.380 nan 0.000 0.424 173 Q N 0.425 120.232 119.800 0.012 0.000 2.050 173 Q HA -0.054 4.280 4.340 -0.011 0.000 0.202 173 Q C 2.397 178.369 176.000 -0.047 0.000 0.980 173 Q CA 1.147 56.949 55.803 -0.001 0.000 0.840 173 Q CB -0.039 28.711 28.738 0.020 0.000 0.898 173 Q HN 0.380 nan 8.270 nan 0.000 0.424 174 L N -0.161 121.004 121.223 -0.097 0.000 1.989 174 L HA -0.215 4.119 4.340 -0.011 0.000 0.211 174 L C 2.470 179.250 176.870 -0.150 0.000 1.071 174 L CA 0.846 55.604 54.840 -0.136 0.000 0.749 174 L CB -0.403 41.536 42.059 -0.199 0.000 0.890 174 L HN 0.390 nan 8.230 nan 0.000 0.431 175 M N -0.688 118.790 119.600 -0.203 0.000 2.202 175 M HA -0.230 4.244 4.480 -0.011 0.000 0.262 175 M C 2.322 178.580 176.300 -0.070 0.000 1.063 175 M CA 1.562 56.774 55.300 -0.147 0.000 1.097 175 M CB -1.232 31.288 32.600 -0.134 0.000 1.382 175 M HN 0.251 nan 8.290 nan 0.000 0.413 176 R N -0.087 120.385 120.500 -0.045 0.000 2.092 176 R HA -0.179 4.155 4.340 -0.011 0.000 0.231 176 R C 2.305 178.593 176.300 -0.020 0.000 1.119 176 R CA 1.453 57.542 56.100 -0.019 0.000 0.970 176 R CB -0.048 30.250 30.300 -0.003 0.000 0.864 176 R HN 0.066 nan 8.270 nan 0.000 0.440 177 R N 0.897 121.378 120.500 -0.031 0.000 2.062 177 R HA 0.008 4.342 4.340 -0.011 0.000 0.229 177 R C 2.176 178.456 176.300 -0.032 0.000 1.128 177 R CA 1.263 57.348 56.100 -0.026 0.000 0.960 177 R CB -0.962 29.320 30.300 -0.030 0.000 0.855 177 R HN 0.295 nan 8.270 nan 0.000 0.432 178 L N 0.461 121.653 121.223 -0.052 0.000 2.051 178 L HA -0.255 4.079 4.340 -0.011 0.000 0.214 178 L C 2.540 179.388 176.870 -0.038 0.000 1.076 178 L CA 2.202 57.009 54.840 -0.055 0.000 0.758 178 L CB -0.365 41.649 42.059 -0.076 0.000 0.890 178 L HN 0.295 nan 8.230 nan 0.000 0.433 179 R N -0.577 119.906 120.500 -0.029 0.000 2.092 179 R HA -0.216 4.118 4.340 -0.011 0.000 0.231 179 R C 2.265 178.567 176.300 0.003 0.000 1.119 179 R CA 1.464 57.555 56.100 -0.015 0.000 0.970 179 R CB -0.073 30.221 30.300 -0.009 0.000 0.864 179 R HN 0.407 nan 8.270 nan 0.000 0.440 180 Q N -0.155 119.648 119.800 0.005 0.000 1.993 180 Q HA -0.169 4.164 4.340 -0.011 0.000 0.202 180 Q C 1.908 177.921 176.000 0.021 0.000 0.984 180 Q CA 1.582 57.397 55.803 0.019 0.000 0.837 180 Q CB -0.107 28.638 28.738 0.012 0.000 0.902 180 Q HN 0.219 nan 8.270 nan 0.000 0.423 181 L N 0.391 121.615 121.223 0.002 0.000 2.043 181 L HA -0.229 4.105 4.340 -0.011 0.000 0.212 181 L C 2.060 178.928 176.870 -0.002 0.000 1.075 181 L CA 1.566 56.403 54.840 -0.006 0.000 0.752 181 L CB -0.810 41.236 42.059 -0.023 0.000 0.891 181 L HN 0.356 nan 8.230 nan 0.000 0.432 182 I N -0.764 119.801 120.570 -0.008 0.000 2.202 182 I HA -0.179 3.985 4.170 -0.011 0.000 0.242 182 I C 2.680 178.813 176.117 0.027 0.000 1.091 182 I CA 1.331 62.622 61.300 -0.014 0.000 1.368 182 I CB -1.799 36.172 38.000 -0.048 0.000 1.058 182 I HN 0.186 nan 8.210 nan 0.000 0.410 183 A N 0.201 123.052 122.820 0.052 0.000 1.873 183 A HA -0.321 3.993 4.320 -0.011 0.000 0.218 183 A C 2.280 179.962 177.584 0.163 0.000 1.193 183 A CA 2.161 54.277 52.037 0.132 0.000 0.629 183 A CB -0.900 18.200 19.000 0.165 0.000 0.826 183 A HN 0.482 nan 8.150 nan 0.000 0.447 184 Q N -0.446 119.420 119.800 0.111 0.000 2.047 184 Q HA -0.215 4.119 4.340 -0.011 0.000 0.211 184 Q C 2.521 178.563 176.000 0.070 0.000 1.005 184 Q CA 2.499 58.355 55.803 0.089 0.000 0.866 184 Q CB -0.342 28.422 28.738 0.043 0.000 0.938 184 Q HN 0.666 nan 8.270 nan 0.000 0.414 185 S N -0.397 115.331 115.700 0.046 0.000 2.387 185 S HA -0.186 4.278 4.470 -0.011 0.000 0.230 185 S C 1.134 175.763 174.600 0.049 0.000 1.035 185 S CA 1.109 59.328 58.200 0.033 0.000 1.014 185 S CB -0.441 62.776 63.200 0.028 0.000 0.836 185 S HN 0.548 nan 8.310 nan 0.000 0.466 186 W N 1.390 122.599 121.300 -0.151 0.000 2.436 186 W HA -0.099 4.555 4.660 -0.011 0.000 0.284 186 W C 1.605 177.955 176.519 -0.280 0.000 1.225 186 W CA 1.092 58.284 57.345 -0.256 0.000 1.271 186 W CB -0.190 29.052 29.460 -0.364 0.000 1.114 186 W HN 0.436 nan 8.180 nan 0.000 0.559 187 H N -0.613 118.383 119.070 -0.124 0.000 2.553 187 H HA 0.091 4.641 4.556 -0.011 0.000 0.276 187 H C 0.545 175.779 175.328 -0.156 0.000 0.979 187 H CA 0.993 56.919 56.048 -0.202 0.000 1.268 187 H CB -0.321 29.409 29.762 -0.054 0.000 1.450 187 H HN -0.194 nan 8.280 nan 0.000 0.527 188 T N 4.183 118.744 114.554 0.013 0.000 4.219 188 T HA 0.015 4.358 4.350 -0.011 0.000 0.263 188 T C 0.207 174.873 174.700 -0.056 0.000 1.217 188 T CA -0.289 61.806 62.100 -0.008 0.000 1.145 188 T CB -0.619 68.254 68.868 0.009 0.000 1.298 188 T HN 0.321 nan 8.240 nan 0.000 0.999 189 D N 1.855 122.199 120.400 -0.093 0.000 2.198 189 D HA 0.236 4.869 4.640 -0.011 0.000 0.245 189 D C -0.235 176.027 176.300 -0.064 0.000 1.079 189 D CA -0.626 53.309 54.000 -0.108 0.000 0.854 189 D CB 1.416 42.111 40.800 -0.175 0.000 1.148 189 D HN 0.166 nan 8.370 nan 0.000 0.456 190 E N 2.026 122.198 120.200 -0.048 0.000 2.293 190 E HA 0.519 4.862 4.350 -0.011 0.000 0.270 190 E C -0.461 176.120 176.600 -0.031 0.000 0.879 190 E CA -0.939 55.443 56.400 -0.030 0.000 0.756 190 E CB 2.577 32.270 29.700 -0.012 0.000 1.208 190 E HN 0.424 nan 8.360 nan 0.000 0.428 191 I N 2.123 122.677 120.570 -0.028 0.000 2.627 191 I HA 0.163 4.326 4.170 -0.011 0.000 0.288 191 I C 0.125 176.228 176.117 -0.023 0.000 1.202 191 I CA -0.585 60.699 61.300 -0.026 0.000 1.050 191 I CB 1.561 39.544 38.000 -0.027 0.000 1.264 191 I HN 0.358 nan 8.210 nan 0.000 0.429 192 R N 4.674 125.160 120.500 -0.025 0.000 2.698 192 R HA 0.078 4.412 4.340 -0.011 0.000 0.266 192 R C 0.173 176.460 176.300 -0.023 0.000 1.026 192 R CA -0.107 55.978 56.100 -0.025 0.000 1.102 192 R CB 0.667 30.948 30.300 -0.032 0.000 0.978 192 R HN 0.456 nan 8.270 nan 0.000 0.436 193 K N 1.149 121.537 120.400 -0.021 0.000 2.313 193 K HA 0.200 4.514 4.320 -0.011 0.000 0.197 193 K C 0.298 176.886 176.600 -0.020 0.000 1.061 193 K CA 0.538 56.813 56.287 -0.020 0.000 0.980 193 K CB 0.361 32.850 32.500 -0.018 0.000 0.888 193 K HN 0.321 nan 8.250 nan 0.000 0.502 194 L N 0.703 121.913 121.223 -0.022 0.000 2.354 194 L HA 0.489 4.823 4.340 -0.011 0.000 0.269 194 L C -0.128 176.725 176.870 -0.028 0.000 1.005 194 L CA -1.379 53.447 54.840 -0.023 0.000 0.819 194 L CB 1.774 43.821 42.059 -0.021 0.000 1.311 194 L HN -0.069 nan 8.230 nan 0.000 0.423 195 R N 2.775 123.257 120.500 -0.029 0.000 2.494 195 R HA 0.054 4.388 4.340 -0.011 0.000 0.291 195 R C -2.150 174.128 176.300 -0.038 0.000 0.953 195 R CA -0.719 55.361 56.100 -0.035 0.000 1.098 195 R CB 0.261 30.543 30.300 -0.031 0.000 0.911 195 R HN 0.339 nan 8.270 nan 0.000 0.407 196 P HA 0.012 nan 4.420 nan 0.000 0.274 196 P C -0.972 176.301 177.300 -0.045 0.000 1.260 196 P CA -0.326 62.743 63.100 -0.051 0.000 0.793 196 P CB 0.956 32.611 31.700 -0.074 0.000 1.048 197 S N -1.186 114.489 115.700 -0.043 0.000 2.600 197 S HA 0.516 4.979 4.470 -0.011 0.000 0.300 197 S C -2.070 172.503 174.600 -0.045 0.000 1.087 197 S CA -1.726 56.452 58.200 -0.038 0.000 0.965 197 S CB 1.315 64.498 63.200 -0.029 0.000 1.089 197 S HN 0.085 nan 8.310 nan 0.000 0.496 198 P HA -0.108 nan 4.420 nan 0.000 0.217 198 P C 1.429 178.695 177.300 -0.058 0.000 1.148 198 P CA 0.921 63.998 63.100 -0.039 0.000 0.834 198 P CB -0.099 31.586 31.700 -0.025 0.000 0.783 199 V N -0.027 119.844 119.914 -0.072 0.000 2.453 199 V HA -0.196 3.918 4.120 -0.011 0.000 0.247 199 V C 2.001 178.043 176.094 -0.087 0.000 1.048 199 V CA 1.974 64.207 62.300 -0.112 0.000 1.049 199 V CB -1.156 30.561 31.823 -0.177 0.000 0.672 199 V HN 0.091 nan 8.190 nan 0.000 0.457 200 D N 0.461 120.826 120.400 -0.057 0.000 2.097 200 D HA -0.171 4.463 4.640 -0.011 0.000 0.195 200 D C 2.215 178.500 176.300 -0.025 0.000 0.989 200 D CA 1.542 55.523 54.000 -0.031 0.000 0.827 200 D CB -0.195 40.586 40.800 -0.032 0.000 0.966 200 D HN 0.585 nan 8.370 nan 0.000 0.456 201 E N 0.756 120.924 120.200 -0.053 0.000 2.150 201 E HA -0.064 4.279 4.350 -0.011 0.000 0.193 201 E C 2.084 178.673 176.600 -0.018 0.000 0.985 201 E CA 0.867 57.235 56.400 -0.053 0.000 0.814 201 E CB -0.052 29.592 29.700 -0.093 0.000 0.752 201 E HN 0.184 nan 8.360 nan 0.000 0.466 202 A N 1.684 124.437 122.820 -0.112 0.000 1.969 202 A HA -0.194 4.120 4.320 -0.011 0.000 0.218 202 A C 1.966 179.168 177.584 -0.636 0.000 1.169 202 A CA 1.342 53.198 52.037 -0.301 0.000 0.635 202 A CB -0.222 18.617 19.000 -0.268 0.000 0.810 202 A HN 0.023 nan 8.150 nan 0.000 0.445 203 K N -1.725 118.486 120.400 -0.315 0.000 2.148 203 K HA -0.154 4.159 4.320 -0.011 0.000 0.204 203 K C 1.685 178.283 176.600 -0.003 0.000 1.050 203 K CA 1.370 57.544 56.287 -0.187 0.000 0.942 203 K CB -0.246 32.272 32.500 0.030 0.000 0.724 203 K HN 0.773 nan 8.250 nan 0.000 0.446 204 W N 0.861 122.077 121.300 -0.140 0.000 2.388 204 W HA -0.109 4.545 4.660 -0.011 0.000 0.294 204 W C 1.726 178.221 176.519 -0.039 0.000 1.212 204 W CA 1.510 58.828 57.345 -0.045 0.000 1.271 204 W CB -0.342 29.107 29.460 -0.019 0.000 1.126 204 W HN 0.032 nan 8.180 nan 0.000 0.535 205 G N -0.011 108.881 108.800 0.154 0.000 2.443 205 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.219 205 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.219 205 G C 1.381 176.292 174.900 0.019 0.000 1.131 205 G CA 0.846 45.944 45.100 -0.003 0.000 0.775 205 G HN 0.441 nan 8.290 nan 0.000 0.547 206 F N 1.301 121.276 119.950 0.042 0.000 2.206 206 F HA 0.047 4.568 4.527 -0.011 0.000 0.298 206 F C 3.102 178.848 175.800 -0.091 0.000 1.090 206 F CA 0.241 58.236 58.000 -0.008 0.000 1.323 206 F CB 0.036 39.054 39.000 0.031 0.000 1.028 206 F HN 0.232 nan 8.300 nan 0.000 0.492 207 A N 0.266 123.122 122.820 0.060 0.000 1.902 207 A HA -0.136 4.177 4.320 -0.011 0.000 0.217 207 A C 2.255 179.747 177.584 -0.152 0.000 1.181 207 A CA 1.780 53.783 52.037 -0.056 0.000 0.623 207 A CB -1.119 17.837 19.000 -0.073 0.000 0.818 207 A HN 0.181 nan 8.150 nan 0.000 0.443 208 V N -0.431 119.321 119.914 -0.271 0.000 2.358 208 V HA -0.201 3.912 4.120 -0.011 0.000 0.246 208 V C 2.556 178.560 176.094 -0.149 0.000 1.047 208 V CA 1.822 63.958 62.300 -0.273 0.000 1.035 208 V CB -0.740 30.838 31.823 -0.407 0.000 0.658 208 V HN 0.369 nan 8.190 nan 0.000 0.452 209 V N 1.249 121.109 119.914 -0.090 0.000 2.295 209 V HA -0.293 3.821 4.120 -0.011 0.000 0.246 209 V C 2.534 178.560 176.094 -0.114 0.000 1.049 209 V CA 2.476 64.725 62.300 -0.085 0.000 1.024 209 V CB -0.759 31.070 31.823 0.010 0.000 0.648 209 V HN 0.867 nan 8.190 nan 0.000 0.447 210 E N -0.061 120.057 120.200 -0.137 0.000 2.158 210 E HA -0.160 4.183 4.350 -0.011 0.000 0.191 210 E C 1.716 178.244 176.600 -0.120 0.000 0.982 210 E CA 1.215 57.492 56.400 -0.205 0.000 0.823 210 E CB -0.321 29.185 29.700 -0.323 0.000 0.766 210 E HN 0.529 nan 8.360 nan 0.000 0.468 211 N N -0.148 118.502 118.700 -0.083 0.000 2.467 211 N HA 0.003 4.736 4.740 -0.011 0.000 0.184 211 N C 0.898 176.400 175.510 -0.014 0.000 1.106 211 N CA 0.966 53.991 53.050 -0.041 0.000 0.892 211 N CB 1.002 39.476 38.487 -0.021 0.000 0.969 211 N HN 0.246 nan 8.380 nan 0.000 0.454 212 S N -1.036 114.655 115.700 -0.016 0.000 3.369 212 S HA 0.225 4.689 4.470 -0.011 0.000 0.251 212 S C 1.424 176.037 174.600 0.022 0.000 1.093 212 S CA -0.360 57.849 58.200 0.015 0.000 0.952 212 S CB -0.437 62.772 63.200 0.016 0.000 0.965 212 S HN 0.021 nan 8.310 nan 0.000 0.436 213 L N 0.997 122.199 121.223 -0.034 0.000 2.109 213 L HA 0.050 4.384 4.340 -0.011 0.000 0.207 213 L C 2.410 179.287 176.870 0.012 0.000 1.086 213 L CA 1.213 56.020 54.840 -0.055 0.000 0.760 213 L CB -0.588 41.324 42.059 -0.245 0.000 0.910 213 L HN 0.514 nan 8.230 nan 0.000 0.437 214 W N 1.634 122.747 121.300 -0.311 0.000 2.321 214 W HA -0.263 4.391 4.660 -0.011 0.000 0.306 214 W C 2.247 178.685 176.519 -0.135 0.000 1.217 214 W CA 2.019 59.145 57.345 -0.365 0.000 1.257 214 W CB 0.011 29.219 29.460 -0.420 0.000 1.145 214 W HN 0.332 nan 8.180 nan 0.000 0.509 215 Q N -1.369 118.485 119.800 0.090 0.000 2.259 215 Q HA 0.043 4.376 4.340 -0.011 0.000 0.201 215 Q C 2.544 178.576 176.000 0.053 0.000 0.938 215 Q CA 1.188 57.026 55.803 0.058 0.000 0.872 215 Q CB -0.855 27.929 28.738 0.076 0.000 0.971 215 Q HN 0.192 nan 8.270 nan 0.000 0.494 216 G N 0.514 109.360 108.800 0.076 0.000 2.446 216 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.217 216 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.217 216 G C 1.474 176.471 174.900 0.161 0.000 1.168 216 G CA 1.139 46.306 45.100 0.112 0.000 0.771 216 G HN 0.202 nan 8.290 nan 0.000 0.551 217 V N 2.120 122.133 119.914 0.165 0.000 2.261 217 V HA -0.118 3.996 4.120 -0.011 0.000 0.246 217 V C 0.354 176.558 176.094 0.183 0.000 1.047 217 V CA 2.282 64.723 62.300 0.235 0.000 1.015 217 V CB -1.268 30.686 31.823 0.219 0.000 0.642 217 V HN 0.304 nan 8.190 nan 0.000 0.446 218 P HA -0.087 nan 4.420 nan 0.000 0.216 218 P C 1.201 178.514 177.300 0.022 0.000 1.150 218 P CA 1.299 64.407 63.100 0.015 0.000 0.837 218 P CB -0.132 31.549 31.700 -0.031 0.000 0.786 219 N N -1.197 117.538 118.700 0.057 0.000 2.142 219 N HA -0.184 4.550 4.740 -0.011 0.000 0.186 219 N C 1.717 177.273 175.510 0.076 0.000 1.023 219 N CA 1.073 54.158 53.050 0.058 0.000 0.852 219 N CB -1.318 37.211 38.487 0.071 0.000 0.998 219 N HN 0.311 nan 8.380 nan 0.000 0.424 220 Y N 1.377 121.699 120.300 0.037 0.000 2.128 220 Y HA -0.155 4.389 4.550 -0.011 0.000 0.284 220 Y C 1.975 177.894 175.900 0.033 0.000 1.154 220 Y CA 1.406 59.532 58.100 0.043 0.000 1.149 220 Y CB -0.486 38.016 38.460 0.070 0.000 0.976 220 Y HN -0.059 nan 8.280 nan 0.000 0.505 221 L N 0.331 121.275 121.223 -0.465 0.000 2.191 221 L HA -0.139 4.195 4.340 -0.011 0.000 0.212 221 L C 2.777 179.493 176.870 -0.256 0.000 1.103 221 L CA 1.488 56.018 54.840 -0.518 0.000 0.769 221 L CB -0.484 41.414 42.059 -0.268 0.000 0.908 221 L HN 0.177 nan 8.230 nan 0.000 0.438 222 R N -0.577 119.845 120.500 -0.130 0.000 2.062 222 R HA -0.109 4.225 4.340 -0.011 0.000 0.226 222 R C 2.285 178.549 176.300 -0.062 0.000 1.125 222 R CA 0.824 56.886 56.100 -0.064 0.000 0.966 222 R CB 0.082 30.367 30.300 -0.024 0.000 0.861 222 R HN 0.147 nan 8.270 nan 0.000 0.433 223 E N 0.846 121.015 120.200 -0.051 0.000 2.038 223 E HA -0.218 4.126 4.350 -0.011 0.000 0.195 223 E C 1.860 178.435 176.600 -0.043 0.000 1.000 223 E CA 1.006 57.391 56.400 -0.024 0.000 0.803 223 E CB -0.498 29.213 29.700 0.019 0.000 0.750 223 E HN 0.186 nan 8.360 nan 0.000 0.448 224 L N 1.242 122.405 121.223 -0.100 0.000 2.042 224 L HA -0.199 4.135 4.340 -0.011 0.000 0.210 224 L C 1.685 178.508 176.870 -0.078 0.000 1.076 224 L CA 1.909 56.692 54.840 -0.096 0.000 0.749 224 L CB -0.585 41.330 42.059 -0.240 0.000 0.893 224 L HN 0.028 nan 8.230 nan 0.000 0.432 225 N N -0.569 118.076 118.700 -0.092 0.000 2.171 225 N HA -0.169 4.565 4.740 -0.011 0.000 0.184 225 N C 1.808 177.295 175.510 -0.039 0.000 1.021 225 N CA 1.186 54.206 53.050 -0.049 0.000 0.854 225 N CB -0.027 38.442 38.487 -0.030 0.000 0.994 225 N HN 0.422 nan 8.380 nan 0.000 0.426 226 E N 0.038 120.217 120.200 -0.034 0.000 2.077 226 E HA -0.133 4.211 4.350 -0.011 0.000 0.193 226 E C 1.766 178.345 176.600 -0.035 0.000 0.989 226 E CA 0.997 57.382 56.400 -0.025 0.000 0.800 226 E CB 0.086 29.776 29.700 -0.017 0.000 0.746 226 E HN 0.319 nan 8.360 nan 0.000 0.452 227 Q N -0.100 119.678 119.800 -0.037 0.000 2.119 227 Q HA -0.126 4.207 4.340 -0.011 0.000 0.201 227 Q C 2.409 178.365 176.000 -0.074 0.000 0.972 227 Q CA 0.854 56.633 55.803 -0.039 0.000 0.847 227 Q CB -0.210 28.518 28.738 -0.018 0.000 0.903 227 Q HN 0.389 nan 8.270 nan 0.000 0.433 228 L N 0.556 121.717 121.223 -0.103 0.000 1.989 228 L HA -0.241 4.093 4.340 -0.011 0.000 0.211 228 L C 2.547 179.254 176.870 -0.272 0.000 1.071 228 L CA 1.707 56.420 54.840 -0.212 0.000 0.749 228 L CB -0.507 41.416 42.059 -0.227 0.000 0.890 228 L HN 0.316 nan 8.230 nan 0.000 0.431 229 E N -0.115 119.982 120.200 -0.171 0.000 2.077 229 E HA -0.253 4.091 4.350 -0.011 0.000 0.193 229 E C 2.098 178.655 176.600 -0.073 0.000 0.989 229 E CA 1.143 57.476 56.400 -0.112 0.000 0.800 229 E CB 0.095 29.772 29.700 -0.039 0.000 0.746 229 E HN 0.379 nan 8.360 nan 0.000 0.452 230 E N 0.159 120.324 120.200 -0.059 0.000 2.007 230 E HA -0.207 4.137 4.350 -0.011 0.000 0.194 230 E C 1.792 178.368 176.600 -0.040 0.000 0.999 230 E CA 1.636 58.015 56.400 -0.036 0.000 0.811 230 E CB -0.058 29.625 29.700 -0.027 0.000 0.762 230 E HN 0.262 nan 8.360 nan 0.000 0.450 231 N N -0.393 118.274 118.700 -0.054 0.000 2.216 231 N HA -0.063 4.670 4.740 -0.011 0.000 0.183 231 N C 1.690 177.167 175.510 -0.055 0.000 1.017 231 N CA 0.956 53.980 53.050 -0.044 0.000 0.861 231 N CB 0.174 38.640 38.487 -0.036 0.000 0.986 231 N HN 0.139 nan 8.380 nan 0.000 0.428 232 L N -2.586 118.560 121.223 -0.130 0.000 2.575 232 L HA 0.424 4.758 4.340 -0.011 0.000 0.228 232 L C 1.064 177.897 176.870 -0.060 0.000 1.075 232 L CA 0.208 54.970 54.840 -0.131 0.000 0.867 232 L CB 0.382 42.252 42.059 -0.316 0.000 1.097 232 L HN 0.202 nan 8.230 nan 0.000 0.485 233 G N 0.333 109.083 108.800 -0.084 0.000 2.148 233 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.203 233 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.203 233 G C -0.139 174.881 174.900 0.201 0.000 0.993 233 G CA 0.059 45.208 45.100 0.082 0.000 0.661 233 G HN 0.429 nan 8.290 nan 0.000 0.518 234 Y N -2.117 118.198 120.300 0.024 0.000 2.604 234 Y HA 0.772 5.316 4.550 -0.011 0.000 0.331 234 Y C -0.624 175.297 175.900 0.033 0.000 1.158 234 Y CA -1.892 56.224 58.100 0.027 0.000 1.056 234 Y CB 0.777 39.249 38.460 0.021 0.000 1.330 234 Y HN 0.057 nan 8.280 nan 0.000 0.457 235 K N 2.785 123.295 120.400 0.183 0.000 2.207 235 K HA 0.571 4.885 4.320 -0.011 0.000 0.255 235 K C -0.818 175.897 176.600 0.192 0.000 0.941 235 K CA -0.914 55.443 56.287 0.116 0.000 0.825 235 K CB 2.375 34.930 32.500 0.092 0.000 1.119 235 K HN 0.660 nan 8.250 nan 0.000 0.430 236 L N 3.311 124.642 121.223 0.180 0.000 2.483 236 L HA 0.134 4.468 4.340 -0.011 0.000 0.275 236 L C -1.852 175.129 176.870 0.186 0.000 1.220 236 L CA -1.664 53.309 54.840 0.222 0.000 0.833 236 L CB -0.120 42.151 42.059 0.354 0.000 1.102 236 L HN 0.378 nan 8.230 nan 0.000 0.490 237 P HA 0.048 nan 4.420 nan 0.000 0.274 237 P C 0.837 178.226 177.300 0.149 0.000 1.231 237 P CA -0.433 62.751 63.100 0.140 0.000 0.790 237 P CB 0.848 32.607 31.700 0.099 0.000 0.951 238 V N 1.825 121.801 119.914 0.103 0.000 2.380 238 V HA -0.261 3.853 4.120 -0.011 0.000 0.251 238 V C 1.740 177.897 176.094 0.106 0.000 1.063 238 V CA 2.118 64.443 62.300 0.042 0.000 1.055 238 V CB -1.279 30.441 31.823 -0.172 0.000 0.657 238 V HN 0.620 nan 8.190 nan 0.000 0.455 239 E N -0.859 119.401 120.200 0.100 0.000 2.516 239 E HA -0.055 4.289 4.350 -0.011 0.000 0.199 239 E C 0.509 177.128 176.600 0.031 0.000 1.069 239 E CA 0.124 56.536 56.400 0.020 0.000 0.876 239 E CB -0.126 29.510 29.700 -0.107 0.000 0.843 239 E HN 0.569 nan 8.360 nan 0.000 0.530 240 F N 1.430 121.349 119.950 -0.052 0.000 2.303 240 F HA 0.271 4.791 4.527 -0.011 0.000 0.368 240 F C -0.710 175.071 175.800 -0.032 0.000 1.105 240 F CA -1.583 56.385 58.000 -0.055 0.000 1.153 240 F CB 0.638 39.623 39.000 -0.025 0.000 1.362 240 F HN -0.330 nan 8.300 nan 0.000 0.511 241 V N 9.209 128.877 119.914 -0.411 0.000 2.259 241 V HA 0.254 4.368 4.120 -0.011 0.000 0.267 241 V C -1.562 174.220 176.094 -0.521 0.000 1.051 241 V CA -1.092 60.964 62.300 -0.406 0.000 0.830 241 V CB 0.759 32.475 31.823 -0.179 0.000 1.080 241 V HN 0.575 nan 8.190 nan 0.000 0.467 242 P HA 0.040 nan 4.420 nan 0.000 0.247 242 P C 0.083 177.283 177.300 -0.166 0.000 1.225 242 P CA 0.534 63.357 63.100 -0.462 0.000 0.768 242 P CB 0.192 31.622 31.700 -0.450 0.000 1.020 243 V N -0.464 119.385 119.914 -0.108 0.000 2.715 243 V HA 0.642 4.756 4.120 -0.011 0.000 0.310 243 V C 0.153 176.173 176.094 -0.123 0.000 1.054 243 V CA -0.889 61.373 62.300 -0.063 0.000 0.928 243 V CB 2.611 34.479 31.823 0.076 0.000 1.007 243 V HN -0.110 nan 8.190 nan 0.000 0.437 244 R N 1.819 122.216 120.500 -0.171 0.000 2.584 244 R HA 0.569 4.903 4.340 -0.011 0.000 0.276 244 R C -2.001 174.169 176.300 -0.218 0.000 1.046 244 R CA -0.411 55.594 56.100 -0.158 0.000 0.906 244 R CB 2.297 32.517 30.300 -0.133 0.000 1.215 244 R HN 0.650 nan 8.270 nan 0.000 0.449 245 F N 0.187 120.013 119.950 -0.208 0.000 2.480 245 F HA 0.572 5.093 4.527 -0.011 0.000 0.329 245 F C 0.583 176.379 175.800 -0.007 0.000 1.091 245 F CA -0.072 57.867 58.000 -0.102 0.000 0.972 245 F CB 2.331 41.297 39.000 -0.058 0.000 1.150 245 F HN 0.245 nan 8.300 nan 0.000 0.467 246 T N 0.739 115.375 114.554 0.136 0.000 2.883 246 T HA 0.587 4.930 4.350 -0.011 0.000 0.296 246 T C -1.233 173.593 174.700 0.209 0.000 1.117 246 T CA -0.893 61.300 62.100 0.155 0.000 1.006 246 T CB 1.994 70.906 68.868 0.073 0.000 1.191 246 T HN 0.525 nan 8.240 nan 0.000 0.508 247 S N -0.552 115.306 115.700 0.264 0.000 2.569 247 S HA 0.535 4.999 4.470 -0.011 0.000 0.280 247 S C -1.184 173.672 174.600 0.427 0.000 1.111 247 S CA -0.569 57.809 58.200 0.295 0.000 0.887 247 S CB 0.997 64.356 63.200 0.265 0.000 1.095 247 S HN 0.731 nan 8.310 nan 0.000 0.476 248 W N 2.247 123.618 121.300 0.119 0.000 3.220 248 W HA 0.440 5.094 4.660 -0.010 0.000 0.328 248 W C 0.055 176.610 176.519 0.060 0.000 1.205 248 W CA -0.782 56.618 57.345 0.092 0.000 1.773 248 W CB -0.478 29.043 29.460 0.101 0.000 1.086 248 W HN 0.503 nan 8.180 nan 0.000 0.622 249 M N 0.683 120.441 119.600 0.263 0.000 2.307 249 M HA 0.317 4.791 4.480 -0.011 0.000 0.346 249 M C 1.439 177.787 176.300 0.080 0.000 1.552 249 M CA 1.497 56.879 55.300 0.136 0.000 1.116 249 M CB 0.089 32.745 32.600 0.094 0.000 1.889 249 M HN 0.210 nan 8.290 nan 0.000 0.460 250 G N 2.056 110.881 108.800 0.042 0.000 2.148 250 G HA2 -0.224 3.729 3.960 -0.011 0.000 0.254 250 G HA3 -0.224 3.729 3.960 -0.011 0.000 0.254 250 G C 0.606 175.512 174.900 0.010 0.000 0.981 250 G CA 0.243 45.355 45.100 0.020 0.000 0.670 250 G HN 1.007 nan 8.290 nan 0.000 0.528 251 G N -0.939 107.856 108.800 -0.008 0.000 2.707 251 G HA2 0.367 4.320 3.960 -0.011 0.000 0.198 251 G HA3 0.367 4.320 3.960 -0.011 0.000 0.198 251 G C 0.144 174.914 174.900 -0.216 0.000 1.065 251 G CA 0.859 45.907 45.100 -0.086 0.000 0.763 251 G HN 0.515 nan 8.290 nan 0.000 0.625 252 D N 1.004 121.285 120.400 -0.198 0.000 2.339 252 D HA 0.246 4.880 4.640 -0.011 0.000 0.241 252 D C 1.480 177.683 176.300 -0.163 0.000 1.183 252 D CA -0.581 53.246 54.000 -0.288 0.000 0.859 252 D CB 0.645 41.317 40.800 -0.213 0.000 1.067 252 D HN 0.304 nan 8.370 nan 0.000 0.484 253 R N 2.548 122.940 120.500 -0.180 0.000 2.437 253 R HA 0.125 4.459 4.340 -0.011 0.000 0.257 253 R C -0.167 176.074 176.300 -0.098 0.000 0.927 253 R CA -0.522 55.512 56.100 -0.110 0.000 1.078 253 R CB -0.198 30.043 30.300 -0.099 0.000 1.161 253 R HN 0.225 nan 8.270 nan 0.000 0.529 254 D N 1.994 122.320 120.400 -0.122 0.000 2.554 254 D HA 0.027 4.661 4.640 -0.011 0.000 0.251 254 D C 1.132 177.404 176.300 -0.047 0.000 1.213 254 D CA 2.090 56.040 54.000 -0.083 0.000 0.900 254 D CB 0.162 40.911 40.800 -0.084 0.000 1.135 254 D HN 0.490 nan 8.370 nan 0.000 0.522 255 G N 3.953 112.728 108.800 -0.041 0.000 2.184 255 G HA2 -0.341 3.613 3.960 -0.011 0.000 0.264 255 G HA3 -0.341 3.613 3.960 -0.011 0.000 0.264 255 G C 0.484 175.367 174.900 -0.027 0.000 0.975 255 G CA 0.345 45.429 45.100 -0.026 0.000 0.642 255 G HN 0.709 nan 8.290 nan 0.000 0.536 256 N N 0.594 119.272 118.700 -0.036 0.000 2.626 256 N HA 0.484 5.217 4.740 -0.011 0.000 0.242 256 N C -1.160 174.328 175.510 -0.037 0.000 1.005 256 N CA -1.857 51.173 53.050 -0.033 0.000 0.905 256 N CB 1.563 40.032 38.487 -0.030 0.000 1.128 256 N HN -0.044 nan 8.380 nan 0.000 0.512 257 P HA -0.133 nan 4.420 nan 0.000 0.215 257 P C 0.571 177.852 177.300 -0.031 0.000 1.153 257 P CA 1.154 64.233 63.100 -0.034 0.000 0.853 257 P CB 0.219 31.900 31.700 -0.032 0.000 0.788 258 N N -0.447 118.237 118.700 -0.027 0.000 2.513 258 N HA -0.057 4.677 4.740 -0.011 0.000 0.187 258 N C 0.119 175.616 175.510 -0.021 0.000 1.056 258 N CA 0.656 53.692 53.050 -0.023 0.000 0.907 258 N CB -0.378 38.095 38.487 -0.023 0.000 0.954 258 N HN 0.109 nan 8.380 nan 0.000 0.445 259 V N 2.304 122.202 119.914 -0.027 0.000 2.284 259 V HA 0.111 4.225 4.120 -0.011 0.000 0.260 259 V C 0.715 176.793 176.094 -0.027 0.000 1.084 259 V CA -0.512 61.772 62.300 -0.026 0.000 0.894 259 V CB 0.259 32.060 31.823 -0.036 0.000 1.119 259 V HN 0.169 nan 8.190 nan 0.000 0.484 260 T N 1.370 115.915 114.554 -0.014 0.000 2.881 260 T HA 0.610 4.954 4.350 -0.011 0.000 0.278 260 T C 1.446 176.145 174.700 -0.002 0.000 0.982 260 T CA 0.041 62.133 62.100 -0.013 0.000 0.989 260 T CB 1.934 70.796 68.868 -0.010 0.000 1.058 260 T HN 0.478 nan 8.240 nan 0.000 0.529 261 A N 0.481 123.300 122.820 -0.001 0.000 1.972 261 A HA -0.075 4.239 4.320 -0.011 0.000 0.219 261 A C 2.038 179.636 177.584 0.024 0.000 1.169 261 A CA 1.604 53.648 52.037 0.011 0.000 0.635 261 A CB -1.028 17.979 19.000 0.012 0.000 0.810 261 A HN 0.911 nan 8.150 nan 0.000 0.446 262 D N 0.061 120.472 120.400 0.020 0.000 2.097 262 D HA -0.125 4.509 4.640 -0.011 0.000 0.195 262 D C 1.953 178.294 176.300 0.068 0.000 0.989 262 D CA 1.054 55.071 54.000 0.029 0.000 0.827 262 D CB -0.196 40.611 40.800 0.011 0.000 0.966 262 D HN 0.322 nan 8.370 nan 0.000 0.456 263 I N 1.220 121.828 120.570 0.063 0.000 2.163 263 I HA -0.224 3.940 4.170 -0.011 0.000 0.243 263 I C 2.306 178.479 176.117 0.094 0.000 1.085 263 I CA 1.193 62.546 61.300 0.088 0.000 1.347 263 I CB -1.508 36.515 38.000 0.038 0.000 1.044 263 I HN 0.005 nan 8.210 nan 0.000 0.408 264 T N 0.408 114.999 114.554 0.061 0.000 2.746 264 T HA -0.205 4.138 4.350 -0.011 0.000 0.267 264 T C 2.069 176.828 174.700 0.099 0.000 1.039 264 T CA 1.366 63.505 62.100 0.064 0.000 1.142 264 T CB -0.278 68.610 68.868 0.032 0.000 0.866 264 T HN 0.272 nan 8.240 nan 0.000 0.444 265 R N -0.017 120.540 120.500 0.096 0.000 2.094 265 R HA -0.176 4.157 4.340 -0.011 0.000 0.239 265 R C 2.350 178.740 176.300 0.151 0.000 1.137 265 R CA 1.953 58.113 56.100 0.101 0.000 0.943 265 R CB -0.427 29.912 30.300 0.065 0.000 0.850 265 R HN 0.638 nan 8.270 nan 0.000 0.433 266 H N -0.716 118.373 119.070 0.032 0.000 2.267 266 H HA -0.137 4.413 4.556 -0.011 0.000 0.297 266 H C 1.981 177.354 175.328 0.074 0.000 1.080 266 H CA 1.873 57.940 56.048 0.031 0.000 1.278 266 H CB 0.076 29.848 29.762 0.016 0.000 1.365 266 H HN 0.082 nan 8.280 nan 0.000 0.489 267 V N 1.061 121.064 119.914 0.148 0.000 2.469 267 V HA -0.274 3.840 4.120 -0.011 0.000 0.251 267 V C 2.692 178.909 176.094 0.205 0.000 1.064 267 V CA 1.635 64.005 62.300 0.118 0.000 1.066 267 V CB -0.553 31.322 31.823 0.087 0.000 0.667 267 V HN 0.403 nan 8.190 nan 0.000 0.461 268 L N -1.091 120.242 121.223 0.182 0.000 2.083 268 L HA -0.181 4.153 4.340 -0.011 0.000 0.209 268 L C 2.331 179.317 176.870 0.193 0.000 1.083 268 L CA 1.456 56.405 54.840 0.182 0.000 0.752 268 L CB -0.305 41.844 42.059 0.150 0.000 0.899 268 L HN 0.306 nan 8.230 nan 0.000 0.433 269 L N -1.136 120.202 121.223 0.191 0.000 2.005 269 L HA -0.244 4.090 4.340 -0.011 0.000 0.207 269 L C 2.469 179.469 176.870 0.217 0.000 1.072 269 L CA 1.099 56.047 54.840 0.179 0.000 0.744 269 L CB -0.429 41.708 42.059 0.130 0.000 0.895 269 L HN 0.227 nan 8.230 nan 0.000 0.433 270 L N -0.588 120.781 121.223 0.243 0.000 2.051 270 L HA -0.303 4.031 4.340 -0.011 0.000 0.214 270 L C 2.747 179.732 176.870 0.193 0.000 1.076 270 L CA 1.563 56.561 54.840 0.264 0.000 0.758 270 L CB -0.280 41.949 42.059 0.284 0.000 0.890 270 L HN 0.312 nan 8.230 nan 0.000 0.433 271 S N -0.527 115.283 115.700 0.184 0.000 2.370 271 S HA -0.217 4.247 4.470 -0.011 0.000 0.226 271 S C 1.872 176.463 174.600 -0.016 0.000 1.033 271 S CA 1.331 59.511 58.200 -0.033 0.000 1.011 271 S CB -0.279 63.044 63.200 0.204 0.000 0.852 271 S HN 0.427 nan 8.310 nan 0.000 0.457 272 R N -0.452 120.120 120.500 0.120 0.000 2.096 272 R HA -0.109 4.224 4.340 -0.011 0.000 0.235 272 R C 2.100 178.473 176.300 0.120 0.000 1.127 272 R CA 1.442 57.621 56.100 0.133 0.000 0.968 272 R CB -0.308 30.100 30.300 0.180 0.000 0.861 272 R HN 0.540 nan 8.270 nan 0.000 0.440 273 W N 2.255 123.550 121.300 -0.008 0.000 2.355 273 W HA -0.193 4.460 4.660 -0.011 0.000 0.309 273 W C 2.072 178.535 176.519 -0.093 0.000 1.206 273 W CA 1.390 58.721 57.345 -0.024 0.000 1.284 273 W CB -0.138 29.308 29.460 -0.023 0.000 1.145 273 W HN -0.175 nan 8.180 nan 0.000 0.502 274 K N 0.692 120.979 120.400 -0.188 0.000 2.209 274 K HA -0.072 4.241 4.320 -0.011 0.000 0.204 274 K C 2.035 178.321 176.600 -0.523 0.000 1.048 274 K CA 1.711 57.650 56.287 -0.579 0.000 0.940 274 K CB -0.751 31.380 32.500 -0.615 0.000 0.729 274 K HN 0.136 nan 8.250 nan 0.000 0.451 275 A N -0.760 121.907 122.820 -0.256 0.000 1.969 275 A HA -0.102 4.212 4.320 -0.011 0.000 0.218 275 A C 2.262 179.876 177.584 0.050 0.000 1.169 275 A CA 1.968 53.991 52.037 -0.024 0.000 0.635 275 A CB -0.886 18.254 19.000 0.233 0.000 0.810 275 A HN 0.375 nan 8.150 nan 0.000 0.445 276 T N -0.472 114.008 114.554 -0.123 0.000 2.777 276 T HA -0.126 4.217 4.350 -0.011 0.000 0.266 276 T C 1.720 176.247 174.700 -0.288 0.000 1.040 276 T CA 1.738 63.761 62.100 -0.129 0.000 1.141 276 T CB -0.343 68.422 68.868 -0.173 0.000 0.868 276 T HN 0.657 nan 8.240 nan 0.000 0.444 277 D N 0.650 120.681 120.400 -0.614 0.000 2.088 277 D HA -0.070 4.564 4.640 -0.011 0.000 0.191 277 D C 2.098 178.086 176.300 -0.520 0.000 0.992 277 D CA 1.306 54.910 54.000 -0.658 0.000 0.831 277 D CB -0.374 39.841 40.800 -0.975 0.000 0.973 277 D HN 0.334 nan 8.370 nan 0.000 0.447 278 L N -0.890 119.928 121.223 -0.674 0.000 2.046 278 L HA -0.102 4.232 4.340 -0.011 0.000 0.208 278 L C 2.543 179.028 176.870 -0.642 0.000 1.077 278 L CA 0.810 55.079 54.840 -0.952 0.000 0.747 278 L CB -0.598 40.406 42.059 -1.759 0.000 0.896 278 L HN 0.080 nan 8.230 nan 0.000 0.432 279 F N -0.812 119.017 119.950 -0.203 0.000 2.269 279 F HA -0.226 4.294 4.527 -0.011 0.000 0.301 279 F C 2.245 178.022 175.800 -0.038 0.000 1.082 279 F CA 0.514 58.522 58.000 0.013 0.000 1.360 279 F CB -0.073 38.957 39.000 0.050 0.000 1.041 279 F HN 0.022 nan 8.300 nan 0.000 0.512 280 L N 0.596 121.836 121.223 0.028 0.000 2.027 280 L HA -0.185 4.148 4.340 -0.011 0.000 0.206 280 L C 2.132 178.985 176.870 -0.028 0.000 1.074 280 L CA 1.779 56.615 54.840 -0.006 0.000 0.745 280 L CB -1.017 41.002 42.059 -0.067 0.000 0.898 280 L HN 0.038 nan 8.230 nan 0.000 0.433 281 K N -0.586 119.749 120.400 -0.109 0.000 2.103 281 K HA -0.198 4.116 4.320 -0.011 0.000 0.207 281 K C 1.660 178.250 176.600 -0.017 0.000 1.048 281 K CA 1.613 57.842 56.287 -0.096 0.000 0.930 281 K CB -0.212 32.182 32.500 -0.176 0.000 0.716 281 K HN 0.299 nan 8.250 nan 0.000 0.444 282 D N 0.769 121.196 120.400 0.044 0.000 2.103 282 D HA -0.088 4.545 4.640 -0.011 0.000 0.199 282 D C 1.842 178.207 176.300 0.108 0.000 0.978 282 D CA 0.793 54.870 54.000 0.127 0.000 0.829 282 D CB -0.077 40.873 40.800 0.249 0.000 0.981 282 D HN 0.015 nan 8.370 nan 0.000 0.464 283 I N 1.160 121.802 120.570 0.120 0.000 2.286 283 I HA -0.201 3.962 4.170 -0.011 0.000 0.248 283 I C 2.214 178.362 176.117 0.051 0.000 1.115 283 I CA 1.092 62.444 61.300 0.087 0.000 1.392 283 I CB -0.917 37.135 38.000 0.086 0.000 1.065 283 I HN 0.108 nan 8.210 nan 0.000 0.418 284 Q N 0.538 120.358 119.800 0.033 0.000 2.030 284 Q HA -0.154 4.180 4.340 -0.011 0.000 0.204 284 Q C 2.574 178.588 176.000 0.023 0.000 0.986 284 Q CA 1.354 57.169 55.803 0.020 0.000 0.843 284 Q CB -0.780 27.960 28.738 0.004 0.000 0.904 284 Q HN 0.349 nan 8.270 nan 0.000 0.420 285 V N 1.584 121.512 119.914 0.024 0.000 2.250 285 V HA -0.300 3.813 4.120 -0.011 0.000 0.250 285 V C 2.531 178.641 176.094 0.026 0.000 1.060 285 V CA 1.843 64.157 62.300 0.023 0.000 1.030 285 V CB -0.725 31.116 31.823 0.029 0.000 0.643 285 V HN 0.291 nan 8.190 nan 0.000 0.445 286 L N -0.706 120.539 121.223 0.036 0.000 2.046 286 L HA -0.159 4.174 4.340 -0.011 0.000 0.208 286 L C 2.453 179.345 176.870 0.037 0.000 1.077 286 L CA 1.141 56.002 54.840 0.035 0.000 0.747 286 L CB -0.647 41.441 42.059 0.047 0.000 0.896 286 L HN 0.204 nan 8.230 nan 0.000 0.432 287 V N -0.148 119.790 119.914 0.040 0.000 2.392 287 V HA -0.283 3.831 4.120 -0.011 0.000 0.249 287 V C 2.542 178.660 176.094 0.040 0.000 1.059 287 V CA 2.171 64.497 62.300 0.044 0.000 1.051 287 V CB -0.508 31.338 31.823 0.039 0.000 0.658 287 V HN 0.602 nan 8.190 nan 0.000 0.455 288 S N -0.527 115.191 115.700 0.028 0.000 2.406 288 S HA -0.071 4.393 4.470 -0.011 0.000 0.224 288 S C 1.749 176.359 174.600 0.016 0.000 1.030 288 S CA 0.739 58.952 58.200 0.022 0.000 0.958 288 S CB -0.256 62.953 63.200 0.016 0.000 0.811 288 S HN 0.665 nan 8.310 nan 0.000 0.489 289 E N 0.922 121.127 120.200 0.010 0.000 2.358 289 E HA 0.172 4.515 4.350 -0.011 0.000 0.195 289 E C -0.045 176.545 176.600 -0.016 0.000 1.010 289 E CA 0.216 56.613 56.400 -0.005 0.000 0.856 289 E CB -0.091 29.602 29.700 -0.012 0.000 0.795 289 E HN 0.466 nan 8.360 nan 0.000 0.504 290 L N 1.645 122.867 121.223 -0.000 0.000 2.466 290 L HA 0.147 4.481 4.340 -0.011 0.000 0.248 290 L C 0.376 177.277 176.870 0.052 0.000 1.240 290 L CA -0.166 54.668 54.840 -0.011 0.000 1.180 290 L CB 0.470 42.536 42.059 0.011 0.000 1.413 290 L HN 0.011 nan 8.230 nan 0.000 0.406 291 S N 0.507 116.223 115.700 0.028 0.000 2.577 291 S HA 0.196 4.659 4.470 -0.011 0.000 0.219 291 S C 0.702 175.343 174.600 0.069 0.000 0.962 291 S CA -0.407 57.824 58.200 0.053 0.000 0.921 291 S CB -0.107 63.108 63.200 0.025 0.000 0.789 291 S HN 0.415 nan 8.310 nan 0.000 0.497 292 M N 1.486 121.122 119.600 0.061 0.000 2.250 292 M HA 0.052 4.526 4.480 -0.011 0.000 0.337 292 M C 0.936 177.382 176.300 0.242 0.000 1.161 292 M CA 0.455 55.805 55.300 0.083 0.000 1.088 292 M CB 0.214 32.733 32.600 -0.135 0.000 1.639 292 M HN -0.034 nan 8.290 nan 0.000 0.447 293 V N -0.452 119.562 119.914 0.167 0.000 3.556 293 V HA 0.186 4.299 4.120 -0.011 0.000 0.287 293 V C 0.829 176.988 176.094 0.108 0.000 1.422 293 V CA 0.465 62.839 62.300 0.123 0.000 1.038 293 V CB -0.933 30.923 31.823 0.055 0.000 0.850 293 V HN 0.870 nan 8.190 nan 0.000 0.437 294 E N 1.043 121.335 120.200 0.152 0.000 2.180 294 E HA 0.756 5.100 4.350 -0.011 0.000 0.283 294 E C -0.071 176.628 176.600 0.165 0.000 1.061 294 E CA 0.513 56.979 56.400 0.109 0.000 0.861 294 E CB 1.090 30.835 29.700 0.075 0.000 1.056 294 E HN 0.763 nan 8.360 nan 0.000 0.407 295 A N 2.091 124.940 122.820 0.048 0.000 2.569 295 A HA 0.898 5.212 4.320 -0.011 0.000 0.290 295 A C 0.412 177.985 177.584 -0.018 0.000 1.136 295 A CA -0.035 51.994 52.037 -0.013 0.000 0.710 295 A CB 1.279 20.139 19.000 -0.234 0.000 1.303 295 A HN 1.098 nan 8.150 nan 0.000 0.413 296 T N -1.116 113.421 114.554 -0.027 0.000 2.918 296 T HA 0.535 4.879 4.350 -0.011 0.000 0.283 296 T C -2.005 172.675 174.700 -0.033 0.000 1.001 296 T CA -1.454 60.634 62.100 -0.020 0.000 1.041 296 T CB 1.031 69.893 68.868 -0.010 0.000 1.028 296 T HN 0.242 nan 8.240 nan 0.000 0.511 297 P HA -0.161 nan 4.420 nan 0.000 0.214 297 P C 1.360 178.645 177.300 -0.024 0.000 1.169 297 P CA 1.376 64.464 63.100 -0.021 0.000 0.908 297 P CB 0.014 31.707 31.700 -0.012 0.000 0.791 298 E N -0.763 119.426 120.200 -0.020 0.000 2.065 298 E HA -0.226 4.118 4.350 -0.011 0.000 0.201 298 E C 1.988 178.569 176.600 -0.032 0.000 1.016 298 E CA 1.248 57.636 56.400 -0.019 0.000 0.818 298 E CB -1.075 28.616 29.700 -0.015 0.000 0.749 298 E HN 0.100 nan 8.360 nan 0.000 0.453 299 L N 0.604 121.796 121.223 -0.051 0.000 2.046 299 L HA -0.132 4.202 4.340 -0.011 0.000 0.208 299 L C 2.052 178.872 176.870 -0.085 0.000 1.077 299 L CA 1.503 56.294 54.840 -0.081 0.000 0.747 299 L CB -0.267 41.710 42.059 -0.136 0.000 0.896 299 L HN 0.142 nan 8.230 nan 0.000 0.432 300 L N -0.638 120.536 121.223 -0.081 0.000 2.042 300 L HA -0.224 4.110 4.340 -0.011 0.000 0.210 300 L C 2.704 179.551 176.870 -0.038 0.000 1.076 300 L CA 1.263 56.062 54.840 -0.069 0.000 0.749 300 L CB -0.974 41.049 42.059 -0.061 0.000 0.893 300 L HN 0.394 nan 8.230 nan 0.000 0.432 301 A N -0.171 122.633 122.820 -0.028 0.000 1.892 301 A HA -0.225 4.089 4.320 -0.011 0.000 0.218 301 A C 2.185 179.767 177.584 -0.003 0.000 1.188 301 A CA 1.478 53.507 52.037 -0.014 0.000 0.631 301 A CB -0.807 18.186 19.000 -0.010 0.000 0.822 301 A HN 0.312 nan 8.150 nan 0.000 0.447 302 L N -0.499 120.720 121.223 -0.007 0.000 2.447 302 L HA -0.123 4.211 4.340 -0.011 0.000 0.225 302 L C 1.945 178.835 176.870 0.033 0.000 1.148 302 L CA 1.480 56.323 54.840 0.005 0.000 0.808 302 L CB -0.465 41.589 42.059 -0.010 0.000 0.928 302 L HN 0.335 nan 8.230 nan 0.000 0.448 303 V N -1.618 118.322 119.914 0.043 0.000 3.137 303 V HA 0.274 4.388 4.120 -0.011 0.000 0.236 303 V C 1.120 177.247 176.094 0.055 0.000 1.260 303 V CA 0.549 62.920 62.300 0.119 0.000 1.244 303 V CB -0.178 31.719 31.823 0.123 0.000 1.016 303 V HN 0.426 nan 8.190 nan 0.000 0.477 304 G N 1.610 110.412 108.800 0.003 0.000 2.256 304 G HA2 0.214 4.168 3.960 -0.011 0.000 0.218 304 G HA3 0.214 4.168 3.960 -0.011 0.000 0.218 304 G C 0.197 175.074 174.900 -0.038 0.000 0.485 304 G CA 1.578 46.667 45.100 -0.018 0.000 1.003 304 G HN 1.586 nan 8.290 nan 0.000 0.360 305 E N -0.772 119.388 120.200 -0.067 0.000 9.197 305 E HA 0.141 4.485 4.350 -0.011 0.000 0.478 305 E C 0.978 177.488 176.600 -0.150 0.000 1.409 305 E CA 1.766 58.114 56.400 -0.088 0.000 2.454 305 E CB -1.323 28.341 29.700 -0.059 0.000 1.029 305 E HN 2.616 nan 8.360 nan 0.000 0.289 306 E N -2.573 117.526 120.200 -0.167 0.000 4.540 306 E HA -0.283 4.061 4.350 -0.011 0.000 0.175 306 E C 1.410 177.773 176.600 -0.394 0.000 1.236 306 E CA 3.076 59.333 56.400 -0.239 0.000 2.396 306 E CB -1.776 27.786 29.700 -0.230 0.000 1.797 306 E HN 2.077 nan 8.360 nan 0.000 0.437 307 G N -0.721 107.706 108.800 -0.621 0.000 3.993 307 G HA2 0.615 4.568 3.960 -0.011 0.000 0.294 307 G HA3 0.615 4.568 3.960 -0.011 0.000 0.294 307 G C 0.392 175.104 174.900 -0.313 0.000 1.043 307 G CA 0.499 45.187 45.100 -0.687 0.000 0.839 307 G HN 0.484 nan 8.290 nan 0.000 0.516 308 A N 0.055 122.749 122.820 -0.211 0.000 2.327 308 A HA 0.645 4.959 4.320 -0.011 0.000 0.228 308 A C 1.744 179.271 177.584 -0.095 0.000 1.275 308 A CA 0.841 52.803 52.037 -0.124 0.000 0.875 308 A CB 0.044 18.987 19.000 -0.095 0.000 0.925 308 A HN 0.679 nan 8.150 nan 0.000 0.493 309 A N -0.524 122.238 122.820 -0.097 0.000 2.545 309 A HA 0.514 4.828 4.320 -0.011 0.000 0.263 309 A C 0.356 177.919 177.584 -0.035 0.000 1.202 309 A CA 0.490 52.492 52.037 -0.059 0.000 0.959 309 A CB 0.095 19.059 19.000 -0.060 0.000 1.124 309 A HN 0.446 nan 8.150 nan 0.000 0.543 310 E N -0.068 120.109 120.200 -0.038 0.000 2.931 310 E HA 0.077 4.420 4.350 -0.011 0.000 0.327 310 E C -2.466 174.150 176.600 0.027 0.000 1.078 310 E CA -0.695 55.715 56.400 0.017 0.000 0.974 310 E CB 0.680 30.389 29.700 0.016 0.000 1.338 310 E HN 0.145 nan 8.360 nan 0.000 0.395 311 P HA -0.188 nan 4.420 nan 0.000 0.211 311 P C 0.990 178.227 177.300 -0.104 0.000 1.179 311 P CA 1.280 64.301 63.100 -0.132 0.000 0.910 311 P CB -0.062 31.436 31.700 -0.337 0.000 0.785 312 Y N 0.044 120.374 120.300 0.049 0.000 2.224 312 Y HA -0.130 4.413 4.550 -0.011 0.000 0.289 312 Y C 3.076 179.004 175.900 0.048 0.000 1.146 312 Y CA 1.376 59.497 58.100 0.034 0.000 1.182 312 Y CB -0.978 37.488 38.460 0.010 0.000 0.983 312 Y HN -0.129 nan 8.280 nan 0.000 0.524 313 R N -0.358 120.275 120.500 0.222 0.000 2.096 313 R HA -0.214 4.119 4.340 -0.011 0.000 0.235 313 R C 2.149 178.549 176.300 0.167 0.000 1.127 313 R CA 1.410 57.605 56.100 0.159 0.000 0.968 313 R CB -0.883 29.496 30.300 0.132 0.000 0.861 313 R HN 0.508 nan 8.270 nan 0.000 0.440 314 Y N 0.770 121.081 120.300 0.017 0.000 2.070 314 Y HA -0.288 4.256 4.550 -0.010 0.000 0.280 314 Y C 1.826 177.728 175.900 0.002 0.000 1.148 314 Y CA 1.914 60.013 58.100 -0.002 0.000 1.125 314 Y CB -0.109 38.335 38.460 -0.027 0.000 0.975 314 Y HN 0.054 nan 8.280 nan 0.000 0.492 315 L N -0.452 120.728 121.223 -0.072 0.000 2.127 315 L HA -0.288 4.046 4.340 -0.011 0.000 0.211 315 L C 2.236 179.052 176.870 -0.090 0.000 1.089 315 L CA 0.830 55.578 54.840 -0.153 0.000 0.757 315 L CB -0.488 41.535 42.059 -0.061 0.000 0.899 315 L HN 0.406 nan 8.230 nan 0.000 0.434 316 M N -0.677 118.918 119.600 -0.009 0.000 2.349 316 M HA -0.087 4.387 4.480 -0.011 0.000 0.266 316 M C 2.071 178.363 176.300 -0.014 0.000 1.076 316 M CA 1.351 56.654 55.300 0.004 0.000 1.126 316 M CB -0.727 31.900 32.600 0.044 0.000 1.392 316 M HN 0.153 nan 8.290 nan 0.000 0.440 317 K N -0.076 120.312 120.400 -0.020 0.000 2.155 317 K HA -0.061 4.253 4.320 -0.011 0.000 0.203 317 K C 1.771 178.332 176.600 -0.066 0.000 1.052 317 K CA 0.626 56.906 56.287 -0.011 0.000 0.948 317 K CB 0.041 32.572 32.500 0.052 0.000 0.728 317 K HN 0.260 nan 8.250 nan 0.000 0.448 318 N N 1.468 120.064 118.700 -0.174 0.000 2.084 318 N HA -0.154 4.579 4.740 -0.011 0.000 0.190 318 N C 1.790 177.235 175.510 -0.109 0.000 1.030 318 N CA 0.868 53.800 53.050 -0.196 0.000 0.849 318 N CB -0.197 38.091 38.487 -0.333 0.000 1.012 318 N HN 0.140 nan 8.380 nan 0.000 0.423 319 L N 1.088 122.255 121.223 -0.093 0.000 2.083 319 L HA -0.148 4.185 4.340 -0.011 0.000 0.209 319 L C 2.586 179.438 176.870 -0.031 0.000 1.083 319 L CA 1.063 55.868 54.840 -0.057 0.000 0.752 319 L CB -0.141 41.890 42.059 -0.045 0.000 0.899 319 L HN 0.152 nan 8.230 nan 0.000 0.433 320 R N -0.898 119.590 120.500 -0.019 0.000 2.091 320 R HA -0.198 4.135 4.340 -0.011 0.000 0.238 320 R C 2.357 178.657 176.300 -0.001 0.000 1.136 320 R CA 2.025 58.125 56.100 -0.001 0.000 0.959 320 R CB -0.205 30.099 30.300 0.006 0.000 0.856 320 R HN 0.209 nan 8.270 nan 0.000 0.437 321 S N -0.310 115.384 115.700 -0.009 0.000 2.371 321 S HA -0.073 4.391 4.470 -0.011 0.000 0.224 321 S C 1.798 176.397 174.600 -0.003 0.000 1.029 321 S CA 1.141 59.340 58.200 -0.002 0.000 0.978 321 S CB -0.159 63.035 63.200 -0.010 0.000 0.833 321 S HN 0.359 nan 8.310 nan 0.000 0.466 322 R N 0.383 120.871 120.500 -0.019 0.000 2.081 322 R HA -0.016 4.317 4.340 -0.011 0.000 0.235 322 R C 2.005 178.300 176.300 -0.007 0.000 1.131 322 R CA 1.167 57.253 56.100 -0.023 0.000 0.960 322 R CB -0.381 29.894 30.300 -0.041 0.000 0.856 322 R HN 0.252 nan 8.270 nan 0.000 0.436 323 L N 0.319 121.540 121.223 -0.004 0.000 2.056 323 L HA -0.027 4.306 4.340 -0.011 0.000 0.207 323 L C 2.154 179.040 176.870 0.027 0.000 1.078 323 L CA 1.737 56.582 54.840 0.009 0.000 0.749 323 L CB -0.575 41.491 42.059 0.011 0.000 0.901 323 L HN 0.327 nan 8.230 nan 0.000 0.433 324 M N -1.741 117.874 119.600 0.026 0.000 2.213 324 M HA -0.185 4.289 4.480 -0.011 0.000 0.263 324 M C 2.152 178.493 176.300 0.068 0.000 1.062 324 M CA 1.512 56.837 55.300 0.042 0.000 1.105 324 M CB -0.320 32.300 32.600 0.034 0.000 1.385 324 M HN 0.326 nan 8.290 nan 0.000 0.417 325 A N 0.045 122.898 122.820 0.055 0.000 1.840 325 A HA -0.167 4.146 4.320 -0.011 0.000 0.214 325 A C 2.202 179.858 177.584 0.120 0.000 1.198 325 A CA 2.226 54.304 52.037 0.070 0.000 0.608 325 A CB -1.299 17.718 19.000 0.028 0.000 0.839 325 A HN 0.505 nan 8.150 nan 0.000 0.443 326 T N -1.194 113.420 114.554 0.100 0.000 2.759 326 T HA -0.278 4.065 4.350 -0.011 0.000 0.269 326 T C 2.009 176.858 174.700 0.249 0.000 1.042 326 T CA 2.049 64.255 62.100 0.177 0.000 1.140 326 T CB -0.440 68.500 68.868 0.119 0.000 0.864 326 T HN 0.585 nan 8.240 nan 0.000 0.455 327 Q N 0.530 120.435 119.800 0.175 0.000 2.030 327 Q HA -0.099 4.234 4.340 -0.011 0.000 0.204 327 Q C 2.594 178.764 176.000 0.284 0.000 0.986 327 Q CA 1.973 57.908 55.803 0.221 0.000 0.843 327 Q CB -0.758 28.060 28.738 0.133 0.000 0.904 327 Q HN 0.708 nan 8.270 nan 0.000 0.420 328 A N 0.087 123.041 122.820 0.223 0.000 1.892 328 A HA -0.242 4.072 4.320 -0.011 0.000 0.218 328 A C 1.734 179.451 177.584 0.222 0.000 1.188 328 A CA 1.630 53.783 52.037 0.194 0.000 0.631 328 A CB -1.427 17.670 19.000 0.162 0.000 0.822 328 A HN 0.793 nan 8.150 nan 0.000 0.447 329 W N 0.642 121.987 121.300 0.074 0.000 2.354 329 W HA -0.144 4.510 4.660 -0.011 0.000 0.315 329 W C 1.851 178.416 176.519 0.077 0.000 1.206 329 W CA 2.064 59.446 57.345 0.062 0.000 1.290 329 W CB -0.550 28.942 29.460 0.054 0.000 1.152 329 W HN 0.271 nan 8.180 nan 0.000 0.489 330 L N 0.484 121.836 121.223 0.215 0.000 2.131 330 L HA -0.172 4.162 4.340 -0.011 0.000 0.210 330 L C 2.164 179.001 176.870 -0.055 0.000 1.092 330 L CA 1.716 56.555 54.840 -0.002 0.000 0.759 330 L CB -1.152 41.017 42.059 0.184 0.000 0.903 330 L HN 0.042 nan 8.230 nan 0.000 0.435 331 E N 0.753 120.968 120.200 0.025 0.000 2.204 331 E HA -0.179 4.165 4.350 -0.011 0.000 0.195 331 E C 2.323 178.845 176.600 -0.130 0.000 0.990 331 E CA 0.984 57.327 56.400 -0.096 0.000 0.821 331 E CB -0.202 29.465 29.700 -0.054 0.000 0.750 331 E HN 0.578 nan 8.360 nan 0.000 0.477 332 A N 2.098 124.836 122.820 -0.137 0.000 1.854 332 A HA -0.133 4.181 4.320 -0.011 0.000 0.214 332 A C 2.138 179.576 177.584 -0.242 0.000 1.192 332 A CA 0.825 52.764 52.037 -0.163 0.000 0.611 332 A CB -0.205 18.708 19.000 -0.145 0.000 0.832 332 A HN 0.021 nan 8.150 nan 0.000 0.442 333 R N -0.127 120.137 120.500 -0.394 0.000 2.096 333 R HA -0.135 4.199 4.340 -0.011 0.000 0.240 333 R C 2.095 178.227 176.300 -0.280 0.000 1.139 333 R CA 1.508 57.363 56.100 -0.409 0.000 0.952 333 R CB -1.240 28.691 30.300 -0.616 0.000 0.854 333 R HN 0.535 nan 8.270 nan 0.000 0.436 334 L N 1.476 122.561 121.223 -0.231 0.000 2.051 334 L HA -0.244 4.089 4.340 -0.011 0.000 0.214 334 L C 3.041 179.781 176.870 -0.218 0.000 1.076 334 L CA 2.443 57.166 54.840 -0.195 0.000 0.758 334 L CB -0.832 41.150 42.059 -0.129 0.000 0.890 334 L HN 0.321 nan 8.230 nan 0.000 0.433 335 K N -0.032 120.258 120.400 -0.182 0.000 2.362 335 K HA 0.140 4.454 4.320 -0.011 0.000 0.200 335 K C 1.526 178.039 176.600 -0.144 0.000 1.046 335 K CA 1.064 57.263 56.287 -0.148 0.000 0.952 335 K CB -0.819 31.609 32.500 -0.120 0.000 0.753 335 K HN 0.611 nan 8.250 nan 0.000 0.466 336 G N 0.070 108.769 108.800 -0.168 0.000 2.144 336 G HA2 -0.179 3.774 3.960 -0.011 0.000 0.218 336 G HA3 -0.179 3.774 3.960 -0.011 0.000 0.218 336 G C -0.271 174.561 174.900 -0.114 0.000 0.988 336 G CA 0.147 45.161 45.100 -0.143 0.000 0.659 336 G HN 0.611 nan 8.290 nan 0.000 0.522 337 E N 0.751 120.877 120.200 -0.123 0.000 2.216 337 E HA 0.588 4.931 4.350 -0.011 0.000 0.279 337 E C 0.227 176.769 176.600 -0.097 0.000 0.997 337 E CA 0.181 56.527 56.400 -0.090 0.000 0.817 337 E CB 1.098 30.753 29.700 -0.076 0.000 1.096 337 E HN 0.529 nan 8.360 nan 0.000 0.393 338 E N 3.201 123.374 120.200 -0.044 0.000 2.151 338 E HA 0.582 4.926 4.350 -0.011 0.000 0.275 338 E C -0.826 175.804 176.600 0.050 0.000 0.936 338 E CA -0.660 55.735 56.400 -0.008 0.000 0.777 338 E CB 0.670 30.378 29.700 0.013 0.000 1.108 338 E HN 0.456 nan 8.360 nan 0.000 0.401 339 L N 0.320 121.619 121.223 0.128 0.000 2.549 339 L HA 0.691 5.024 4.340 -0.011 0.000 0.259 339 L C -2.788 174.287 176.870 0.341 0.000 0.934 339 L CA -2.410 52.541 54.840 0.184 0.000 0.865 339 L CB 1.634 43.786 42.059 0.154 0.000 1.352 339 L HN 0.255 nan 8.230 nan 0.000 0.410 340 P HA 0.052 nan 4.420 nan 0.000 0.267 340 P C -1.178 176.182 177.300 0.101 0.000 1.195 340 P CA -0.069 63.125 63.100 0.156 0.000 0.773 340 P CB 0.273 32.012 31.700 0.066 0.000 0.837 341 K N 2.369 122.642 120.400 -0.211 0.000 2.234 341 K HA 0.500 4.814 4.320 -0.011 0.000 0.282 341 K C -2.280 174.082 176.600 -0.397 0.000 1.039 341 K CA -1.912 53.926 56.287 -0.748 0.000 0.928 341 K CB -0.618 31.184 32.500 -1.163 0.000 1.039 341 K HN 0.245 nan 8.250 nan 0.000 0.470 342 P HA -0.007 nan 4.420 nan 0.000 0.268 342 P C 0.935 178.142 177.300 -0.156 0.000 1.208 342 P CA 0.084 63.089 63.100 -0.159 0.000 0.777 342 P CB 0.523 32.172 31.700 -0.085 0.000 0.875 343 E N 1.630 121.774 120.200 -0.094 0.000 2.147 343 E HA -0.147 4.196 4.350 -0.011 0.000 0.199 343 E C 1.697 178.248 176.600 -0.082 0.000 1.005 343 E CA 1.830 58.182 56.400 -0.079 0.000 0.810 343 E CB -1.315 28.357 29.700 -0.047 0.000 0.736 343 E HN 0.706 nan 8.360 nan 0.000 0.460 344 G N -0.129 108.626 108.800 -0.074 0.000 3.949 344 G HA2 0.445 4.399 3.960 -0.011 0.000 0.295 344 G HA3 0.445 4.399 3.960 -0.011 0.000 0.295 344 G C 0.034 174.888 174.900 -0.077 0.000 1.286 344 G CA -0.298 44.762 45.100 -0.066 0.000 1.171 344 G HN 0.376 nan 8.290 nan 0.000 0.586 345 L N 0.772 121.921 121.223 -0.123 0.000 2.410 345 L HA 0.405 4.738 4.340 -0.011 0.000 0.273 345 L C 0.034 176.850 176.870 -0.089 0.000 1.152 345 L CA -0.222 54.531 54.840 -0.145 0.000 0.855 345 L CB 0.727 42.601 42.059 -0.308 0.000 1.129 345 L HN 0.081 nan 8.230 nan 0.000 0.463 346 L N 5.307 126.505 121.223 -0.042 0.000 2.292 346 L HA 0.406 4.740 4.340 -0.011 0.000 0.284 346 L C 0.810 177.677 176.870 -0.005 0.000 1.065 346 L CA 0.114 54.938 54.840 -0.026 0.000 0.806 346 L CB 1.161 43.206 42.059 -0.023 0.000 1.175 346 L HN 0.898 nan 8.230 nan 0.000 0.431 347 T N -1.855 112.691 114.554 -0.013 0.000 3.029 347 T HA 0.206 4.550 4.350 -0.011 0.000 0.256 347 T C 0.440 175.138 174.700 -0.003 0.000 0.914 347 T CA -0.349 61.754 62.100 0.006 0.000 0.880 347 T CB 0.546 69.411 68.868 -0.006 0.000 1.246 347 T HN 0.395 nan 8.240 nan 0.000 0.523 348 Q N 0.911 120.700 119.800 -0.019 0.000 2.399 348 Q HA 0.492 4.826 4.340 -0.011 0.000 0.276 348 Q C -0.014 175.971 176.000 -0.025 0.000 1.098 348 Q CA -0.516 55.272 55.803 -0.026 0.000 0.827 348 Q CB 2.063 30.780 28.738 -0.034 0.000 1.386 348 Q HN 0.222 nan 8.270 nan 0.000 0.443 349 N N 0.456 119.142 118.700 -0.023 0.000 2.244 349 N HA -0.177 4.557 4.740 -0.011 0.000 0.183 349 N C 0.784 176.314 175.510 0.034 0.000 1.016 349 N CA 0.663 53.708 53.050 -0.009 0.000 0.866 349 N CB 0.274 38.757 38.487 -0.008 0.000 0.980 349 N HN 0.459 nan 8.380 nan 0.000 0.430 350 E N 1.302 121.512 120.200 0.017 0.000 2.171 350 E HA -0.188 4.155 4.350 -0.011 0.000 0.197 350 E C 1.477 178.134 176.600 0.096 0.000 0.997 350 E CA 1.049 57.489 56.400 0.066 0.000 0.810 350 E CB -0.003 29.704 29.700 0.013 0.000 0.738 350 E HN 0.444 nan 8.360 nan 0.000 0.467 351 E N -0.502 119.718 120.200 0.032 0.000 2.150 351 E HA -0.150 4.193 4.350 -0.011 0.000 0.193 351 E C 1.649 178.247 176.600 -0.002 0.000 0.985 351 E CA 0.620 57.025 56.400 0.009 0.000 0.814 351 E CB 0.024 29.711 29.700 -0.021 0.000 0.752 351 E HN 0.135 nan 8.360 nan 0.000 0.466 352 L N 0.112 121.324 121.223 -0.018 0.000 2.102 352 L HA -0.039 4.294 4.340 -0.011 0.000 0.202 352 L C 2.043 178.927 176.870 0.022 0.000 1.076 352 L CA 1.100 55.899 54.840 -0.067 0.000 0.761 352 L CB -0.720 41.207 42.059 -0.221 0.000 0.921 352 L HN 0.336 nan 8.230 nan 0.000 0.444 353 W N 1.341 122.601 121.300 -0.067 0.000 2.298 353 W HA -0.301 4.353 4.660 -0.010 0.000 0.328 353 W C 2.171 178.716 176.519 0.043 0.000 1.259 353 W CA 2.369 59.698 57.345 -0.026 0.000 1.251 353 W CB -0.323 29.102 29.460 -0.059 0.000 1.161 353 W HN 0.282 nan 8.180 nan 0.000 0.466 354 E N -0.343 120.000 120.200 0.237 0.000 2.072 354 E HA -0.291 4.053 4.350 -0.011 0.000 0.218 354 E C 0.042 176.661 176.600 0.032 0.000 1.051 354 E CA 2.933 59.437 56.400 0.173 0.000 0.880 354 E CB -1.652 28.142 29.700 0.156 0.000 0.783 354 E HN 0.231 nan 8.360 nan 0.000 0.473 355 P HA -0.148 nan 4.420 nan 0.000 0.215 355 P C 1.480 178.751 177.300 -0.049 0.000 1.157 355 P CA 0.942 64.025 63.100 -0.028 0.000 0.863 355 P CB -0.057 31.620 31.700 -0.039 0.000 0.787 356 L N -1.511 119.657 121.223 -0.091 0.000 2.013 356 L HA -0.202 4.132 4.340 -0.011 0.000 0.212 356 L C 2.531 179.318 176.870 -0.137 0.000 1.073 356 L CA 1.822 56.595 54.840 -0.111 0.000 0.753 356 L CB -2.165 39.795 42.059 -0.166 0.000 0.890 356 L HN -0.004 nan 8.230 nan 0.000 0.432 357 Y N 0.268 120.280 120.300 -0.480 0.000 2.293 357 Y HA -0.147 4.397 4.550 -0.010 0.000 0.291 357 Y C 2.352 178.181 175.900 -0.118 0.000 1.137 357 Y CA 1.009 58.830 58.100 -0.465 0.000 1.202 357 Y CB -0.351 37.644 38.460 -0.776 0.000 0.990 357 Y HN 0.137 nan 8.280 nan 0.000 0.537 358 A N -0.682 122.062 122.820 -0.126 0.000 1.877 358 A HA -0.231 4.082 4.320 -0.011 0.000 0.216 358 A C 2.440 180.003 177.584 -0.035 0.000 1.186 358 A CA 1.864 53.830 52.037 -0.119 0.000 0.620 358 A CB -1.581 17.391 19.000 -0.047 0.000 0.822 358 A HN 0.595 nan 8.150 nan 0.000 0.443 359 C N -2.328 117.004 119.300 0.053 0.000 2.413 359 C HA -0.144 4.310 4.460 -0.011 0.000 0.276 359 C C 2.476 177.548 174.990 0.137 0.000 1.236 359 C CA 1.019 60.164 59.018 0.212 0.000 1.735 359 C CB -1.692 26.194 27.740 0.243 0.000 2.031 359 C HN 0.713 nan 8.230 nan 0.000 0.474 360 Y N 1.447 121.706 120.300 -0.067 0.000 2.069 360 Y HA -0.345 4.199 4.550 -0.010 0.000 0.278 360 Y C 2.750 178.592 175.900 -0.098 0.000 1.175 360 Y CA 2.188 60.237 58.100 -0.085 0.000 1.134 360 Y CB -0.504 37.914 38.460 -0.069 0.000 0.965 360 Y HN 0.412 nan 8.280 nan 0.000 0.498 361 Q N -0.385 119.456 119.800 0.069 0.000 2.030 361 Q HA -0.218 4.115 4.340 -0.011 0.000 0.204 361 Q C 2.373 178.369 176.000 -0.008 0.000 0.986 361 Q CA 2.359 58.151 55.803 -0.019 0.000 0.843 361 Q CB -0.257 28.359 28.738 -0.202 0.000 0.904 361 Q HN 0.570 nan 8.270 nan 0.000 0.420 362 S N 1.251 116.976 115.700 0.042 0.000 2.355 362 S HA -0.133 4.331 4.470 -0.011 0.000 0.222 362 S C 2.096 176.743 174.600 0.079 0.000 1.031 362 S CA 0.949 59.207 58.200 0.098 0.000 0.993 362 S CB -0.536 62.790 63.200 0.210 0.000 0.859 362 S HN 0.224 nan 8.310 nan 0.000 0.453 363 L N 1.562 122.799 121.223 0.023 0.000 2.013 363 L HA -0.208 4.126 4.340 -0.011 0.000 0.212 363 L C 3.056 179.834 176.870 -0.154 0.000 1.073 363 L CA 1.424 56.173 54.840 -0.153 0.000 0.753 363 L CB -0.693 41.172 42.059 -0.323 0.000 0.890 363 L HN 0.323 nan 8.230 nan 0.000 0.432 364 Q N -0.355 119.330 119.800 -0.192 0.000 2.020 364 Q HA -0.218 4.116 4.340 -0.011 0.000 0.202 364 Q C 2.497 178.461 176.000 -0.060 0.000 0.982 364 Q CA 1.813 57.526 55.803 -0.150 0.000 0.838 364 Q CB -0.403 28.255 28.738 -0.132 0.000 0.899 364 Q HN 0.596 nan 8.270 nan 0.000 0.423 365 A N 0.479 123.283 122.820 -0.028 0.000 1.883 365 A HA -0.188 4.126 4.320 -0.011 0.000 0.217 365 A C 2.203 179.786 177.584 -0.002 0.000 1.186 365 A CA 1.480 53.514 52.037 -0.004 0.000 0.624 365 A CB -0.821 18.184 19.000 0.007 0.000 0.822 365 A HN 0.484 nan 8.150 nan 0.000 0.444 366 C N -0.765 118.537 119.300 0.004 0.000 2.509 366 C HA 0.443 4.897 4.460 -0.011 0.000 0.301 366 C C 1.875 176.858 174.990 -0.012 0.000 1.317 366 C CA 0.290 59.315 59.018 0.011 0.000 1.667 366 C CB -1.526 26.245 27.740 0.053 0.000 1.717 366 C HN 1.098 nan 8.230 nan 0.000 0.595 367 G N 0.461 109.243 108.800 -0.030 0.000 2.159 367 G HA2 -0.295 3.658 3.960 -0.011 0.000 0.256 367 G HA3 -0.295 3.658 3.960 -0.011 0.000 0.256 367 G C 0.254 175.116 174.900 -0.063 0.000 0.977 367 G CA 0.278 45.355 45.100 -0.039 0.000 0.652 367 G HN 0.546 nan 8.290 nan 0.000 0.531 368 M N 1.718 121.262 119.600 -0.094 0.000 3.123 368 M HA 0.377 4.850 4.480 -0.011 0.000 0.283 368 M C 1.999 178.200 176.300 -0.165 0.000 1.191 368 M CA 0.561 55.784 55.300 -0.129 0.000 1.012 368 M CB 0.368 32.867 32.600 -0.167 0.000 1.247 368 M HN 0.225 nan 8.290 nan 0.000 0.542 369 G N 1.126 109.842 108.800 -0.139 0.000 2.514 369 G HA2 -0.217 3.736 3.960 -0.011 0.000 0.217 369 G HA3 -0.217 3.736 3.960 -0.011 0.000 0.217 369 G C 1.312 176.121 174.900 -0.151 0.000 1.198 369 G CA 1.045 46.048 45.100 -0.161 0.000 0.780 369 G HN 0.583 nan 8.290 nan 0.000 0.565 370 I N 0.825 121.336 120.570 -0.100 0.000 2.315 370 I HA -0.189 3.975 4.170 -0.011 0.000 0.251 370 I C 2.410 178.474 176.117 -0.089 0.000 1.125 370 I CA 0.723 61.978 61.300 -0.076 0.000 1.392 370 I CB -0.342 37.625 38.000 -0.054 0.000 1.065 370 I HN 0.111 nan 8.210 nan 0.000 0.424 371 I N 1.067 121.565 120.570 -0.119 0.000 2.406 371 I HA -0.100 4.064 4.170 -0.011 0.000 0.249 371 I C 2.879 178.908 176.117 -0.146 0.000 1.122 371 I CA 1.280 62.506 61.300 -0.124 0.000 1.431 371 I CB -1.594 36.315 38.000 -0.152 0.000 1.087 371 I HN 0.144 nan 8.210 nan 0.000 0.424 372 A N 1.239 123.924 122.820 -0.226 0.000 1.877 372 A HA -0.166 4.147 4.320 -0.011 0.000 0.216 372 A C 1.861 179.344 177.584 -0.169 0.000 1.186 372 A CA 1.491 53.336 52.037 -0.321 0.000 0.620 372 A CB -0.750 17.843 19.000 -0.679 0.000 0.822 372 A HN 0.416 nan 8.150 nan 0.000 0.443 373 N N 0.307 118.932 118.700 -0.125 0.000 2.551 373 N HA 0.023 4.757 4.740 -0.011 0.000 0.199 373 N C 0.926 176.454 175.510 0.031 0.000 1.277 373 N CA 0.738 53.803 53.050 0.026 0.000 0.870 373 N CB 0.107 38.608 38.487 0.023 0.000 1.028 373 N HN 0.534 nan 8.380 nan 0.000 0.452 374 G N 0.814 109.618 108.800 0.007 0.000 3.441 374 G HA2 0.011 3.964 3.960 -0.011 0.000 0.195 374 G HA3 0.011 3.964 3.960 -0.011 0.000 0.195 374 G C 0.449 175.363 174.900 0.023 0.000 1.633 374 G CA -0.043 45.062 45.100 0.007 0.000 0.895 374 G HN 0.034 nan 8.290 nan 0.000 0.654 375 D N -0.330 120.080 120.400 0.017 0.000 2.263 375 D HA -0.069 4.565 4.640 -0.011 0.000 0.208 375 D C 2.236 178.563 176.300 0.045 0.000 0.971 375 D CA 0.211 54.229 54.000 0.031 0.000 0.867 375 D CB 0.148 40.965 40.800 0.029 0.000 0.929 375 D HN 0.082 nan 8.370 nan 0.000 0.492 376 L N 0.311 121.563 121.223 0.047 0.000 2.027 376 L HA -0.052 4.282 4.340 -0.011 0.000 0.206 376 L C 1.853 178.779 176.870 0.093 0.000 1.074 376 L CA 1.265 56.147 54.840 0.070 0.000 0.745 376 L CB -0.729 41.375 42.059 0.075 0.000 0.898 376 L HN 0.083 nan 8.230 nan 0.000 0.433 377 L N -0.262 121.041 121.223 0.133 0.000 2.013 377 L HA -0.266 4.068 4.340 -0.011 0.000 0.212 377 L C 2.071 178.975 176.870 0.056 0.000 1.073 377 L CA 1.958 56.874 54.840 0.128 0.000 0.753 377 L CB -1.110 41.044 42.059 0.159 0.000 0.890 377 L HN 0.321 nan 8.230 nan 0.000 0.432 378 D N -1.566 118.858 120.400 0.040 0.000 2.144 378 D HA -0.146 4.487 4.640 -0.011 0.000 0.199 378 D C 2.103 178.396 176.300 -0.010 0.000 0.984 378 D CA 1.685 55.686 54.000 0.001 0.000 0.834 378 D CB -0.136 40.662 40.800 -0.003 0.000 0.955 378 D HN 0.342 nan 8.370 nan 0.000 0.465 379 T N 0.569 115.148 114.554 0.041 0.000 2.857 379 T HA -0.053 4.291 4.350 -0.011 0.000 0.266 379 T C 1.753 176.527 174.700 0.123 0.000 1.048 379 T CA 0.108 62.271 62.100 0.105 0.000 1.139 379 T CB -0.098 68.867 68.868 0.161 0.000 0.874 379 T HN -0.013 nan 8.240 nan 0.000 0.455 380 L N 1.750 123.000 121.223 0.047 0.000 1.990 380 L HA -0.070 4.263 4.340 -0.011 0.000 0.213 380 L C 2.475 179.445 176.870 0.167 0.000 1.072 380 L CA 1.783 56.618 54.840 -0.007 0.000 0.755 380 L CB -0.726 41.247 42.059 -0.144 0.000 0.889 380 L HN 0.206 nan 8.230 nan 0.000 0.432 381 R N -1.199 119.363 120.500 0.102 0.000 2.115 381 R HA -0.084 4.250 4.340 -0.011 0.000 0.230 381 R C 2.188 178.532 176.300 0.074 0.000 1.111 381 R CA 0.954 57.103 56.100 0.081 0.000 0.976 381 R CB -0.312 29.998 30.300 0.017 0.000 0.870 381 R HN 0.390 nan 8.270 nan 0.000 0.445 382 R N 0.306 120.842 120.500 0.061 0.000 2.148 382 R HA -0.014 4.320 4.340 -0.011 0.000 0.223 382 R C 2.231 178.733 176.300 0.336 0.000 1.088 382 R CA 0.729 56.885 56.100 0.093 0.000 0.985 382 R CB -0.243 29.827 30.300 -0.384 0.000 0.880 382 R HN 0.028 nan 8.270 nan 0.000 0.451 383 V N 1.824 121.955 119.914 0.362 0.000 2.261 383 V HA -0.270 3.844 4.120 -0.011 0.000 0.246 383 V C 2.063 178.292 176.094 0.224 0.000 1.047 383 V CA 1.824 64.328 62.300 0.340 0.000 1.015 383 V CB -0.280 31.702 31.823 0.265 0.000 0.642 383 V HN 0.314 nan 8.190 nan 0.000 0.446 384 K N -1.032 119.466 120.400 0.164 0.000 2.155 384 K HA -0.134 4.180 4.320 -0.011 0.000 0.203 384 K C 2.226 178.802 176.600 -0.040 0.000 1.052 384 K CA 1.454 57.752 56.287 0.017 0.000 0.948 384 K CB -0.470 31.991 32.500 -0.065 0.000 0.728 384 K HN 0.570 nan 8.250 nan 0.000 0.448 385 C N 0.096 119.352 119.300 -0.073 0.000 2.486 385 C HA 0.036 4.489 4.460 -0.011 0.000 0.279 385 C C 2.069 176.794 174.990 -0.442 0.000 1.302 385 C CA 0.311 59.137 59.018 -0.320 0.000 1.720 385 C CB -0.628 26.801 27.740 -0.519 0.000 2.030 385 C HN 0.363 nan 8.230 nan 0.000 0.490 386 F N 0.723 120.734 119.950 0.102 0.000 2.537 386 F HA 0.423 4.944 4.527 -0.011 0.000 0.277 386 F C 1.882 177.825 175.800 0.239 0.000 1.013 386 F CA 0.854 58.955 58.000 0.169 0.000 1.332 386 F CB -1.282 37.813 39.000 0.159 0.000 1.108 386 F HN 0.397 nan 8.300 nan 0.000 0.679 387 G N 1.394 110.486 108.800 0.486 0.000 2.649 387 G HA2 -0.288 3.666 3.960 -0.011 0.000 0.281 387 G HA3 -0.288 3.666 3.960 -0.011 0.000 0.281 387 G C 0.927 176.030 174.900 0.338 0.000 1.325 387 G CA 0.077 45.371 45.100 0.323 0.000 0.916 387 G HN 0.173 nan 8.290 nan 0.000 0.562 388 V N 1.922 121.914 119.914 0.131 0.000 2.250 388 V HA -0.205 3.909 4.120 -0.011 0.000 0.253 388 V C 0.659 176.848 176.094 0.159 0.000 1.065 388 V CA 3.170 65.531 62.300 0.102 0.000 1.039 388 V CB -1.349 30.499 31.823 0.042 0.000 0.647 388 V HN 0.778 nan 8.190 nan 0.000 0.446 389 P HA 0.081 nan 4.420 nan 0.000 0.241 389 P C 1.176 178.600 177.300 0.206 0.000 1.191 389 P CA 0.598 63.799 63.100 0.169 0.000 0.771 389 P CB 0.573 32.364 31.700 0.152 0.000 0.929 390 L N -3.037 118.350 121.223 0.274 0.000 2.848 390 L HA -0.208 4.126 4.340 -0.011 0.000 0.400 390 L C -0.178 176.935 176.870 0.405 0.000 2.308 390 L CA 1.762 56.798 54.840 0.327 0.000 2.916 390 L CB -1.375 40.771 42.059 0.145 0.000 1.824 390 L HN -0.061 nan 8.230 nan 0.000 0.807 391 V N 1.172 121.289 119.914 0.339 0.000 2.577 391 V HA 0.423 4.537 4.120 -0.011 0.000 0.294 391 V C 0.143 176.393 176.094 0.260 0.000 1.052 391 V CA -0.591 61.909 62.300 0.333 0.000 0.891 391 V CB 1.664 33.728 31.823 0.401 0.000 1.017 391 V HN 0.302 nan 8.190 nan 0.000 0.436 392 R N 4.257 124.873 120.500 0.194 0.000 2.679 392 R HA 0.430 4.764 4.340 -0.011 0.000 0.268 392 R C 0.169 176.575 176.300 0.177 0.000 1.044 392 R CA 0.036 56.229 56.100 0.156 0.000 1.105 392 R CB 0.742 31.103 30.300 0.101 0.000 0.989 392 R HN 0.787 nan 8.270 nan 0.000 0.447 393 I N -1.768 118.900 120.570 0.163 0.000 3.062 393 I HA 0.483 4.646 4.170 -0.011 0.000 0.316 393 I C -0.654 175.545 176.117 0.137 0.000 1.041 393 I CA -0.844 60.560 61.300 0.174 0.000 1.069 393 I CB 1.957 40.042 38.000 0.142 0.000 1.300 393 I HN 0.291 nan 8.210 nan 0.000 0.518 394 D N 2.734 123.211 120.400 0.128 0.000 2.498 394 D HA 0.533 5.167 4.640 -0.011 0.000 0.247 394 D C -0.594 175.589 176.300 -0.195 0.000 1.070 394 D CA -0.234 53.781 54.000 0.025 0.000 0.842 394 D CB 2.256 43.153 40.800 0.161 0.000 1.361 394 D HN 0.329 nan 8.370 nan 0.000 0.484 395 I N 1.640 122.052 120.570 -0.264 0.000 2.428 395 I HA 0.435 4.599 4.170 -0.011 0.000 0.296 395 I C 0.302 176.061 176.117 -0.596 0.000 0.985 395 I CA -0.522 60.507 61.300 -0.453 0.000 1.260 395 I CB 1.314 38.959 38.000 -0.593 0.000 1.389 395 I HN 0.231 nan 8.210 nan 0.000 0.484 396 R N 4.084 124.249 120.500 -0.558 0.000 2.515 396 R HA 0.457 4.791 4.340 -0.011 0.000 0.291 396 R C -1.328 174.813 176.300 -0.264 0.000 1.046 396 R CA -0.521 55.310 56.100 -0.448 0.000 0.914 396 R CB 1.812 31.729 30.300 -0.638 0.000 1.191 396 R HN 0.638 nan 8.270 nan 0.000 0.435 397 Q N 2.251 122.014 119.800 -0.061 0.000 2.421 397 Q HA 0.246 4.579 4.340 -0.011 0.000 0.280 397 Q C -1.318 174.683 176.000 0.002 0.000 1.085 397 Q CA -0.791 54.997 55.803 -0.024 0.000 0.807 397 Q CB 1.749 30.515 28.738 0.046 0.000 1.405 397 Q HN 0.648 nan 8.270 nan 0.000 0.419 398 E N 0.299 120.441 120.200 -0.096 0.000 2.371 398 E HA 0.250 4.593 4.350 -0.011 0.000 0.257 398 E C 0.181 176.727 176.600 -0.091 0.000 1.134 398 E CA 0.279 56.646 56.400 -0.056 0.000 0.919 398 E CB 0.898 30.571 29.700 -0.045 0.000 1.025 398 E HN 0.717 nan 8.360 nan 0.000 0.438 399 S N 1.857 117.583 115.700 0.044 0.000 2.368 399 S HA -0.208 4.256 4.470 -0.011 0.000 0.225 399 S C 1.878 176.511 174.600 0.056 0.000 1.030 399 S CA 1.548 59.837 58.200 0.149 0.000 0.999 399 S CB -0.842 62.434 63.200 0.127 0.000 0.844 399 S HN 0.626 nan 8.310 nan 0.000 0.459 400 T N 1.908 116.466 114.554 0.007 0.000 2.685 400 T HA -0.142 4.201 4.350 -0.011 0.000 0.268 400 T C 1.965 176.632 174.700 -0.055 0.000 1.034 400 T CA 1.783 63.879 62.100 -0.007 0.000 1.149 400 T CB -0.370 68.489 68.868 -0.015 0.000 0.860 400 T HN 0.441 nan 8.240 nan 0.000 0.449 401 R N -0.664 119.740 120.500 -0.160 0.000 2.096 401 R HA -0.085 4.248 4.340 -0.011 0.000 0.235 401 R C 2.234 178.417 176.300 -0.195 0.000 1.127 401 R CA 1.558 57.535 56.100 -0.205 0.000 0.968 401 R CB -0.205 29.952 30.300 -0.238 0.000 0.861 401 R HN 0.650 nan 8.270 nan 0.000 0.440 402 H N -1.597 117.481 119.070 0.013 0.000 2.389 402 H HA -0.012 4.538 4.556 -0.011 0.000 0.299 402 H C 2.029 177.335 175.328 -0.036 0.000 1.081 402 H CA 1.580 57.621 56.048 -0.012 0.000 1.345 402 H CB 0.018 29.768 29.762 -0.021 0.000 1.393 402 H HN 0.092 nan 8.280 nan 0.000 0.520 403 T N 0.660 115.281 114.554 0.112 0.000 2.746 403 T HA -0.146 4.198 4.350 -0.011 0.000 0.267 403 T C 1.717 176.442 174.700 0.042 0.000 1.039 403 T CA 1.558 63.730 62.100 0.120 0.000 1.142 403 T CB -0.142 68.829 68.868 0.171 0.000 0.866 403 T HN 0.477 nan 8.240 nan 0.000 0.444 404 E N 1.154 121.363 120.200 0.015 0.000 2.051 404 E HA -0.046 4.297 4.350 -0.011 0.000 0.192 404 E C 2.589 179.185 176.600 -0.007 0.000 0.991 404 E CA 0.988 57.385 56.400 -0.004 0.000 0.799 404 E CB -0.262 29.427 29.700 -0.017 0.000 0.748 404 E HN 0.466 nan 8.360 nan 0.000 0.449 405 A N 1.140 123.959 122.820 -0.001 0.000 1.883 405 A HA -0.180 4.134 4.320 -0.011 0.000 0.217 405 A C 2.105 179.711 177.584 0.036 0.000 1.186 405 A CA 1.153 53.209 52.037 0.032 0.000 0.624 405 A CB -0.496 18.534 19.000 0.050 0.000 0.822 405 A HN 0.169 nan 8.150 nan 0.000 0.444 406 L N -0.228 120.951 121.223 -0.073 0.000 2.376 406 L HA 0.054 4.388 4.340 -0.011 0.000 0.219 406 L C 2.334 179.065 176.870 -0.233 0.000 1.133 406 L CA 1.400 56.110 54.840 -0.217 0.000 0.816 406 L CB -1.097 40.662 42.059 -0.500 0.000 0.933 406 L HN 0.375 nan 8.230 nan 0.000 0.449 407 G N -1.072 107.651 108.800 -0.127 0.000 2.425 407 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.213 407 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.213 407 G C 1.399 176.278 174.900 -0.036 0.000 1.201 407 G CA 0.579 45.620 45.100 -0.099 0.000 0.799 407 G HN 0.464 nan 8.290 nan 0.000 0.534 408 E N -0.053 120.172 120.200 0.042 0.000 2.114 408 E HA -0.222 4.122 4.350 -0.011 0.000 0.199 408 E C 2.303 179.062 176.600 0.266 0.000 1.008 408 E CA 1.418 57.906 56.400 0.146 0.000 0.810 408 E CB -0.291 29.487 29.700 0.131 0.000 0.739 408 E HN 0.291 nan 8.360 nan 0.000 0.456 409 L N 1.202 122.568 121.223 0.237 0.000 1.955 409 L HA -0.203 4.130 4.340 -0.011 0.000 0.213 409 L C 2.671 179.528 176.870 -0.022 0.000 1.072 409 L CA 3.100 57.963 54.840 0.038 0.000 0.755 409 L CB -1.446 40.605 42.059 -0.014 0.000 0.888 409 L HN 0.461 nan 8.230 nan 0.000 0.432 410 T N -2.025 112.490 114.554 -0.065 0.000 2.665 410 T HA -0.291 4.053 4.350 -0.011 0.000 0.268 410 T C 1.973 176.656 174.700 -0.028 0.000 1.035 410 T CA 1.830 63.874 62.100 -0.094 0.000 1.151 410 T CB -0.600 68.103 68.868 -0.275 0.000 0.862 410 T HN 0.376 nan 8.240 nan 0.000 0.438 411 R N 0.231 120.731 120.500 0.000 0.000 2.081 411 R HA 0.041 4.375 4.340 -0.011 0.000 0.235 411 R C 2.273 178.627 176.300 0.090 0.000 1.131 411 R CA 1.466 57.590 56.100 0.040 0.000 0.960 411 R CB -1.273 29.056 30.300 0.048 0.000 0.856 411 R HN 0.584 nan 8.270 nan 0.000 0.436 412 Y N 0.979 121.282 120.300 0.005 0.000 2.224 412 Y HA -0.077 4.468 4.550 -0.008 0.000 0.289 412 Y C 1.502 177.359 175.900 -0.072 0.000 1.146 412 Y CA 1.351 59.449 58.100 -0.003 0.000 1.182 412 Y CB 0.030 38.508 38.460 0.030 0.000 0.983 412 Y HN -0.035 nan 8.280 nan 0.000 0.524 413 L N -0.599 120.557 121.223 -0.111 0.000 2.552 413 L HA 0.093 4.426 4.340 -0.011 0.000 0.227 413 L C 1.765 178.568 176.870 -0.110 0.000 1.146 413 L CA 0.876 55.620 54.840 -0.161 0.000 0.858 413 L CB -0.887 41.131 42.059 -0.068 0.000 0.969 413 L HN 0.544 nan 8.230 nan 0.000 0.451 414 G N 0.447 109.204 108.800 -0.072 0.000 2.153 414 G HA2 -0.313 3.640 3.960 -0.011 0.000 0.252 414 G HA3 -0.313 3.640 3.960 -0.011 0.000 0.252 414 G C 0.825 175.734 174.900 0.015 0.000 0.994 414 G CA 0.553 45.633 45.100 -0.032 0.000 0.698 414 G HN 0.407 nan 8.290 nan 0.000 0.521 415 I N 0.112 120.708 120.570 0.043 0.000 2.439 415 I HA 0.336 4.500 4.170 -0.011 0.000 0.251 415 I C 1.808 178.041 176.117 0.193 0.000 1.139 415 I CA 1.546 62.908 61.300 0.103 0.000 1.438 415 I CB -0.127 37.954 38.000 0.134 0.000 1.085 415 I HN 0.747 nan 8.210 nan 0.000 0.427 416 G N 0.188 109.105 108.800 0.194 0.000 2.356 416 G HA2 -0.003 3.951 3.960 -0.011 0.000 0.266 416 G HA3 -0.003 3.951 3.960 -0.011 0.000 0.266 416 G C -1.928 173.010 174.900 0.064 0.000 1.312 416 G CA -0.475 44.809 45.100 0.307 0.000 0.922 416 G HN 0.033 nan 8.290 nan 0.000 0.480 417 D N -1.308 119.031 120.400 -0.102 0.000 2.375 417 D HA 0.426 5.060 4.640 -0.011 0.000 0.259 417 D C 0.686 176.333 176.300 -1.088 0.000 1.235 417 D CA -0.732 53.021 54.000 -0.412 0.000 0.924 417 D CB 0.603 41.296 40.800 -0.178 0.000 1.143 417 D HN 0.437 nan 8.370 nan 0.000 0.529 418 Y N 3.456 122.824 120.300 -1.553 0.000 2.132 418 Y HA -0.271 4.270 4.550 -0.016 0.000 0.280 418 Y C 1.623 177.042 175.900 -0.802 0.000 1.193 418 Y CA 2.355 59.487 58.100 -1.614 0.000 1.157 418 Y CB 0.260 38.182 38.460 -0.897 0.000 0.966 418 Y HN 0.542 nan 8.280 nan 0.000 0.511 419 E N -1.020 118.986 120.200 -0.324 0.000 2.335 419 E HA 0.019 4.363 4.350 -0.011 0.000 0.191 419 E C 0.686 177.175 176.600 -0.185 0.000 1.150 419 E CA 0.785 57.077 56.400 -0.180 0.000 1.001 419 E CB -0.083 29.593 29.700 -0.040 0.000 1.127 419 E HN 0.377 nan 8.360 nan 0.000 0.462 420 S N -0.414 115.129 115.700 -0.262 0.000 2.691 420 S HA 0.108 4.571 4.470 -0.011 0.000 0.258 420 S C -0.255 174.381 174.600 0.061 0.000 1.078 420 S CA -0.684 57.467 58.200 -0.082 0.000 1.000 420 S CB 0.135 63.312 63.200 -0.039 0.000 0.942 420 S HN 0.313 nan 8.310 nan 0.000 0.521 421 W N 4.563 125.777 121.300 -0.144 0.000 2.181 421 W HA 0.410 5.069 4.660 -0.001 0.000 0.335 421 W C 1.139 177.565 176.519 -0.155 0.000 1.310 421 W CA -1.535 55.718 57.345 -0.153 0.000 1.226 421 W CB -0.478 28.855 29.460 -0.212 0.000 1.155 421 W HN 0.210 nan 8.180 nan 0.000 0.565 422 S N 0.662 116.436 115.700 0.123 0.000 2.580 422 S HA -0.099 4.365 4.470 -0.011 0.000 0.261 422 S C 1.129 175.747 174.600 0.030 0.000 1.366 422 S CA 0.151 58.377 58.200 0.044 0.000 0.996 422 S CB 0.942 64.156 63.200 0.023 0.000 0.902 422 S HN 0.480 nan 8.310 nan 0.000 0.566 423 E N 1.211 121.417 120.200 0.011 0.000 2.153 423 E HA -0.074 4.269 4.350 -0.011 0.000 0.194 423 E C 1.973 178.586 176.600 0.021 0.000 0.988 423 E CA 1.667 58.073 56.400 0.010 0.000 0.811 423 E CB -0.864 28.844 29.700 0.014 0.000 0.746 423 E HN 0.779 nan 8.360 nan 0.000 0.466 424 A N 0.445 123.273 122.820 0.013 0.000 1.968 424 A HA -0.123 4.191 4.320 -0.011 0.000 0.217 424 A C 1.782 179.370 177.584 0.006 0.000 1.169 424 A CA 1.561 53.603 52.037 0.008 0.000 0.638 424 A CB -0.397 18.600 19.000 -0.005 0.000 0.812 424 A HN 0.225 nan 8.150 nan 0.000 0.446 425 D N 0.032 120.428 120.400 -0.006 0.000 2.123 425 D HA -0.081 4.552 4.640 -0.011 0.000 0.200 425 D C 1.906 178.263 176.300 0.095 0.000 0.976 425 D CA 1.131 55.101 54.000 -0.050 0.000 0.831 425 D CB -0.229 40.487 40.800 -0.140 0.000 0.974 425 D HN 0.437 nan 8.370 nan 0.000 0.469 426 K N 0.532 121.017 120.400 0.142 0.000 2.057 426 K HA -0.133 4.180 4.320 -0.011 0.000 0.207 426 K C 2.203 178.975 176.600 0.286 0.000 1.049 426 K CA 0.949 57.358 56.287 0.203 0.000 0.931 426 K CB -0.129 32.319 32.500 -0.087 0.000 0.714 426 K HN 0.249 nan 8.250 nan 0.000 0.440 427 Q N 0.220 120.110 119.800 0.149 0.000 2.119 427 Q HA -0.100 4.234 4.340 -0.011 0.000 0.201 427 Q C 2.191 178.242 176.000 0.085 0.000 0.972 427 Q CA 1.224 57.095 55.803 0.114 0.000 0.847 427 Q CB -0.175 28.601 28.738 0.063 0.000 0.903 427 Q HN 0.330 nan 8.270 nan 0.000 0.433 428 A N 0.958 123.824 122.820 0.078 0.000 1.865 428 A HA -0.221 4.093 4.320 -0.011 0.000 0.217 428 A C 1.897 179.515 177.584 0.057 0.000 1.191 428 A CA 1.414 53.471 52.037 0.033 0.000 0.623 428 A CB -0.900 18.096 19.000 -0.007 0.000 0.826 428 A HN 0.472 nan 8.150 nan 0.000 0.444 429 F N 0.699 120.665 119.950 0.027 0.000 2.095 429 F HA -0.161 4.348 4.527 -0.030 0.000 0.298 429 F C 1.911 177.770 175.800 0.099 0.000 1.104 429 F CA 1.875 59.936 58.000 0.103 0.000 1.232 429 F CB -0.383 38.831 39.000 0.357 0.000 0.987 429 F HN 0.144 nan 8.300 nan 0.000 0.475 430 L N 0.110 121.356 121.223 0.038 0.000 2.046 430 L HA -0.235 4.098 4.340 -0.011 0.000 0.208 430 L C 2.492 179.182 176.870 -0.301 0.000 1.077 430 L CA 1.589 56.339 54.840 -0.150 0.000 0.747 430 L CB -0.750 41.361 42.059 0.086 0.000 0.896 430 L HN 0.205 nan 8.230 nan 0.000 0.432 431 I N -0.927 119.509 120.570 -0.223 0.000 2.315 431 I HA -0.251 3.913 4.170 -0.011 0.000 0.248 431 I C 2.821 178.724 176.117 -0.357 0.000 1.117 431 I CA 0.916 62.019 61.300 -0.329 0.000 1.404 431 I CB -0.392 37.499 38.000 -0.182 0.000 1.071 431 I HN 0.229 nan 8.210 nan 0.000 0.419 432 R N 1.064 121.394 120.500 -0.283 0.000 2.082 432 R HA -0.183 4.150 4.340 -0.011 0.000 0.234 432 R C 2.297 178.405 176.300 -0.321 0.000 1.136 432 R CA 1.654 57.602 56.100 -0.254 0.000 0.935 432 R CB -0.049 30.136 30.300 -0.193 0.000 0.842 432 R HN 0.244 nan 8.270 nan 0.000 0.430 433 E N 0.681 120.608 120.200 -0.456 0.000 2.077 433 E HA -0.183 4.161 4.350 -0.011 0.000 0.193 433 E C 1.974 178.364 176.600 -0.350 0.000 0.989 433 E CA 0.606 56.753 56.400 -0.421 0.000 0.800 433 E CB -0.314 29.023 29.700 -0.605 0.000 0.746 433 E HN 0.242 nan 8.360 nan 0.000 0.452 434 L N 1.677 122.634 121.223 -0.443 0.000 2.127 434 L HA -0.133 4.201 4.340 -0.011 0.000 0.211 434 L C 1.608 178.212 176.870 -0.442 0.000 1.089 434 L CA 1.508 56.042 54.840 -0.511 0.000 0.757 434 L CB -0.922 40.567 42.059 -0.950 0.000 0.899 434 L HN 0.184 nan 8.230 nan 0.000 0.434 435 N N -1.395 117.063 118.700 -0.403 0.000 2.392 435 N HA -0.047 4.686 4.740 -0.011 0.000 0.177 435 N C 0.688 176.117 175.510 -0.135 0.000 1.066 435 N CA -0.037 52.871 53.050 -0.236 0.000 0.895 435 N CB 0.586 38.945 38.487 -0.213 0.000 0.988 435 N HN 0.117 nan 8.380 nan 0.000 0.457 436 S N 0.737 116.346 115.700 -0.152 0.000 2.560 436 S HA 0.067 4.531 4.470 -0.011 0.000 0.284 436 S C 1.043 175.601 174.600 -0.069 0.000 1.327 436 S CA 0.082 58.219 58.200 -0.105 0.000 1.055 436 S CB 1.120 64.249 63.200 -0.117 0.000 0.868 436 S HN 0.087 nan 8.310 nan 0.000 0.506 437 K N 1.533 121.906 120.400 -0.045 0.000 2.361 437 K HA 0.135 4.449 4.320 -0.011 0.000 0.194 437 K C 0.493 177.079 176.600 -0.024 0.000 1.032 437 K CA -0.009 56.262 56.287 -0.027 0.000 1.048 437 K CB 0.271 32.762 32.500 -0.016 0.000 0.842 437 K HN 0.664 nan 8.250 nan 0.000 0.526 438 R N 0.934 121.416 120.500 -0.030 0.000 2.407 438 R HA 0.333 4.667 4.340 -0.011 0.000 0.303 438 R C -2.504 173.780 176.300 -0.027 0.000 0.981 438 R CA -1.802 54.285 56.100 -0.022 0.000 0.905 438 R CB 0.325 30.614 30.300 -0.019 0.000 1.099 438 R HN -0.212 nan 8.270 nan 0.000 0.459 439 P HA -0.040 nan 4.420 nan 0.000 0.272 439 P C -0.425 176.862 177.300 -0.021 0.000 1.248 439 P CA -0.352 62.737 63.100 -0.018 0.000 0.799 439 P CB 0.633 32.329 31.700 -0.006 0.000 0.997 440 L N -1.202 120.008 121.223 -0.023 0.000 2.885 440 L HA 0.319 4.652 4.340 -0.011 0.000 0.251 440 L C 0.265 177.099 176.870 -0.061 0.000 1.071 440 L CA 0.213 55.037 54.840 -0.026 0.000 0.956 440 L CB 0.010 42.064 42.059 -0.009 0.000 1.483 440 L HN 0.089 nan 8.230 nan 0.000 0.525 441 L N 3.093 124.290 121.223 -0.044 0.000 2.369 441 L HA 0.395 4.729 4.340 -0.011 0.000 0.279 441 L C -2.071 174.770 176.870 -0.049 0.000 1.108 441 L CA -1.581 53.225 54.840 -0.058 0.000 0.852 441 L CB -0.100 41.977 42.059 0.030 0.000 1.169 441 L HN 0.036 nan 8.230 nan 0.000 0.452 442 P HA 0.183 nan 4.420 nan 0.000 0.267 442 P C 0.708 178.055 177.300 0.079 0.000 1.205 442 P CA 0.185 63.261 63.100 -0.041 0.000 0.765 442 P CB 0.465 32.091 31.700 -0.123 0.000 0.828 443 R N 3.478 124.024 120.500 0.077 0.000 2.096 443 R HA -0.159 4.175 4.340 -0.011 0.000 0.240 443 R C 1.011 177.380 176.300 0.115 0.000 1.139 443 R CA 1.790 57.942 56.100 0.086 0.000 0.952 443 R CB -1.229 29.109 30.300 0.063 0.000 0.854 443 R HN 0.560 nan 8.270 nan 0.000 0.436 444 N N -0.760 118.021 118.700 0.136 0.000 2.716 444 N HA 0.166 4.900 4.740 -0.011 0.000 0.253 444 N C -2.062 173.572 175.510 0.206 0.000 1.170 444 N CA -0.466 52.665 53.050 0.136 0.000 0.807 444 N CB 0.735 39.277 38.487 0.093 0.000 1.183 444 N HN 0.511 nan 8.380 nan 0.000 0.524 445 W N 2.125 123.396 121.300 -0.048 0.000 2.576 445 W HA 0.326 4.986 4.660 0.001 0.000 0.360 445 W C -0.137 176.294 176.519 -0.147 0.000 1.109 445 W CA -0.727 56.529 57.345 -0.149 0.000 1.237 445 W CB 0.888 30.222 29.460 -0.211 0.000 1.369 445 W HN 0.319 nan 8.180 nan 0.000 0.609 446 Q N 2.193 121.733 119.800 -0.433 0.000 2.462 446 Q HA 0.372 4.706 4.340 -0.011 0.000 0.395 446 Q C -2.382 173.174 176.000 -0.741 0.000 0.911 446 Q CA -1.393 54.136 55.803 -0.455 0.000 1.112 446 Q CB 0.170 28.799 28.738 -0.181 0.000 1.350 446 Q HN 0.024 nan 8.270 nan 0.000 0.407 447 P HA 0.094 nan 4.420 nan 0.000 0.288 447 P C -0.191 176.811 177.300 -0.497 0.000 1.291 447 P CA -0.313 62.177 63.100 -1.018 0.000 0.766 447 P CB 0.550 31.419 31.700 -1.385 0.000 1.242 448 S N -1.723 113.766 115.700 -0.351 0.000 2.669 448 S HA 0.500 4.963 4.470 -0.011 0.000 0.270 448 S C 1.317 175.803 174.600 -0.190 0.000 1.225 448 S CA -0.147 57.927 58.200 -0.209 0.000 0.991 448 S CB 0.596 63.710 63.200 -0.143 0.000 0.987 448 S HN 0.552 nan 8.310 nan 0.000 0.552 449 A N 1.246 123.985 122.820 -0.134 0.000 1.859 449 A HA -0.174 4.139 4.320 -0.011 0.000 0.217 449 A C 2.122 179.641 177.584 -0.108 0.000 1.198 449 A CA 1.836 53.804 52.037 -0.113 0.000 0.629 449 A CB -1.282 17.668 19.000 -0.083 0.000 0.830 449 A HN 0.938 nan 8.150 nan 0.000 0.446 450 E N -0.742 119.401 120.200 -0.095 0.000 2.048 450 E HA -0.214 4.130 4.350 -0.011 0.000 0.202 450 E C 2.141 178.688 176.600 -0.089 0.000 1.021 450 E CA 1.940 58.291 56.400 -0.082 0.000 0.825 450 E CB -0.935 28.722 29.700 -0.071 0.000 0.756 450 E HN 0.634 nan 8.360 nan 0.000 0.454 451 T N 1.333 115.821 114.554 -0.111 0.000 2.665 451 T HA -0.223 4.120 4.350 -0.011 0.000 0.268 451 T C 1.898 176.524 174.700 -0.124 0.000 1.035 451 T CA 1.673 63.705 62.100 -0.113 0.000 1.151 451 T CB -0.289 68.477 68.868 -0.171 0.000 0.862 451 T HN 0.198 nan 8.240 nan 0.000 0.438 452 R N 0.804 121.196 120.500 -0.180 0.000 2.091 452 R HA -0.148 4.186 4.340 -0.011 0.000 0.238 452 R C 2.356 178.612 176.300 -0.074 0.000 1.136 452 R CA 1.404 57.411 56.100 -0.154 0.000 0.959 452 R CB -0.113 30.081 30.300 -0.177 0.000 0.856 452 R HN 0.245 nan 8.270 nan 0.000 0.437 453 E N 0.207 120.367 120.200 -0.066 0.000 2.038 453 E HA -0.153 4.191 4.350 -0.011 0.000 0.195 453 E C 2.064 178.661 176.600 -0.005 0.000 1.000 453 E CA 1.353 57.731 56.400 -0.036 0.000 0.803 453 E CB -0.401 29.274 29.700 -0.042 0.000 0.750 453 E HN 0.186 nan 8.360 nan 0.000 0.448 454 V N 1.564 121.478 119.914 -0.000 0.000 2.282 454 V HA -0.277 3.837 4.120 -0.011 0.000 0.249 454 V C 2.607 178.752 176.094 0.085 0.000 1.057 454 V CA 1.609 63.947 62.300 0.063 0.000 1.032 454 V CB -0.551 31.313 31.823 0.069 0.000 0.645 454 V HN 0.227 nan 8.190 nan 0.000 0.447 455 L N -0.378 120.878 121.223 0.054 0.000 2.046 455 L HA -0.197 4.137 4.340 -0.011 0.000 0.208 455 L C 2.381 179.285 176.870 0.056 0.000 1.077 455 L CA 1.710 56.590 54.840 0.067 0.000 0.747 455 L CB -0.787 41.310 42.059 0.064 0.000 0.896 455 L HN 0.340 nan 8.230 nan 0.000 0.432 456 D N -0.551 119.867 120.400 0.029 0.000 2.117 456 D HA -0.144 4.489 4.640 -0.011 0.000 0.197 456 D C 2.190 178.516 176.300 0.044 0.000 0.987 456 D CA 1.596 55.613 54.000 0.029 0.000 0.829 456 D CB -0.299 40.505 40.800 0.006 0.000 0.961 456 D HN 0.230 nan 8.370 nan 0.000 0.460 457 T N 0.058 114.641 114.554 0.047 0.000 2.665 457 T HA -0.185 4.158 4.350 -0.011 0.000 0.268 457 T C 2.229 176.979 174.700 0.084 0.000 1.035 457 T CA 1.211 63.343 62.100 0.054 0.000 1.151 457 T CB -0.666 68.229 68.868 0.045 0.000 0.862 457 T HN 0.252 nan 8.240 nan 0.000 0.438 458 C N 1.298 120.666 119.300 0.114 0.000 2.419 458 C HA -0.033 4.421 4.460 -0.011 0.000 0.281 458 C C 2.848 177.886 174.990 0.081 0.000 1.336 458 C CA 0.293 59.382 59.018 0.118 0.000 1.770 458 C CB -1.150 26.651 27.740 0.101 0.000 1.929 458 C HN 0.591 nan 8.230 nan 0.000 0.509 459 Q N 0.681 120.523 119.800 0.070 0.000 2.119 459 Q HA -0.134 4.200 4.340 -0.011 0.000 0.201 459 Q C 2.236 178.280 176.000 0.073 0.000 0.972 459 Q CA 1.496 57.337 55.803 0.064 0.000 0.847 459 Q CB 0.047 28.819 28.738 0.056 0.000 0.903 459 Q HN 0.564 nan 8.270 nan 0.000 0.433 460 V N 1.235 121.192 119.914 0.072 0.000 2.261 460 V HA -0.310 3.803 4.120 -0.011 0.000 0.246 460 V C 2.368 178.524 176.094 0.103 0.000 1.047 460 V CA 1.804 64.153 62.300 0.081 0.000 1.015 460 V CB -0.589 31.274 31.823 0.068 0.000 0.642 460 V HN 0.369 nan 8.190 nan 0.000 0.446 461 I N 0.684 121.316 120.570 0.104 0.000 2.087 461 I HA -0.362 3.802 4.170 -0.011 0.000 0.240 461 I C 2.709 178.929 176.117 0.172 0.000 1.054 461 I CA 2.027 63.410 61.300 0.140 0.000 1.311 461 I CB -0.764 37.317 38.000 0.136 0.000 1.024 461 I HN 0.325 nan 8.210 nan 0.000 0.402 462 A N -0.071 122.814 122.820 0.109 0.000 1.940 462 A HA -0.274 4.039 4.320 -0.011 0.000 0.219 462 A C 2.228 179.902 177.584 0.149 0.000 1.176 462 A CA 2.121 54.216 52.037 0.095 0.000 0.631 462 A CB -0.655 18.366 19.000 0.034 0.000 0.814 462 A HN 0.485 nan 8.150 nan 0.000 0.446 463 E N -0.297 119.981 120.200 0.130 0.000 2.150 463 E HA 0.143 4.487 4.350 -0.011 0.000 0.193 463 E C 0.988 177.678 176.600 0.151 0.000 0.985 463 E CA 0.457 56.934 56.400 0.129 0.000 0.814 463 E CB -0.187 29.577 29.700 0.106 0.000 0.752 463 E HN 0.628 nan 8.360 nan 0.000 0.466 464 A N 1.816 124.735 122.820 0.165 0.000 2.407 464 A HA 0.266 4.580 4.320 -0.011 0.000 0.248 464 A C -2.288 175.385 177.584 0.148 0.000 1.082 464 A CA -1.283 50.849 52.037 0.157 0.000 0.785 464 A CB -0.097 18.994 19.000 0.152 0.000 1.020 464 A HN -0.011 nan 8.150 nan 0.000 0.489 465 P HA 0.070 nan 4.420 nan 0.000 0.268 465 P C -0.374 176.885 177.300 -0.068 0.000 1.205 465 P CA -0.110 63.011 63.100 0.035 0.000 0.771 465 P CB 0.312 32.035 31.700 0.039 0.000 0.858 466 Q N 1.553 121.211 119.800 -0.238 0.000 2.263 466 Q HA 0.267 4.601 4.340 -0.011 0.000 0.289 466 Q C 0.978 176.783 176.000 -0.324 0.000 1.061 466 Q CA 1.148 56.591 55.803 -0.601 0.000 0.927 466 Q CB -0.519 27.763 28.738 -0.761 0.000 1.154 466 Q HN 0.843 nan 8.270 nan 0.000 0.378 467 G N 2.405 111.037 108.800 -0.280 0.000 2.159 467 G HA2 -0.226 3.728 3.960 -0.011 0.000 0.227 467 G HA3 -0.226 3.728 3.960 -0.011 0.000 0.227 467 G C 0.572 175.454 174.900 -0.030 0.000 0.986 467 G CA 0.277 45.303 45.100 -0.124 0.000 0.651 467 G HN 0.618 nan 8.290 nan 0.000 0.523 468 S N -0.458 115.241 115.700 -0.001 0.000 2.441 468 S HA 0.375 4.839 4.470 -0.011 0.000 0.224 468 S C 0.939 175.590 174.600 0.086 0.000 1.043 468 S CA 0.495 58.734 58.200 0.064 0.000 0.948 468 S CB 0.422 63.676 63.200 0.091 0.000 0.810 468 S HN 0.447 nan 8.310 nan 0.000 0.504 469 I N 1.811 122.431 120.570 0.083 0.000 2.339 469 I HA 0.395 4.559 4.170 -0.011 0.000 0.290 469 I C 1.006 177.178 176.117 0.092 0.000 0.994 469 I CA -0.356 61.005 61.300 0.103 0.000 1.191 469 I CB 1.173 39.255 38.000 0.137 0.000 1.343 469 I HN 0.104 nan 8.210 nan 0.000 0.458 470 A N 5.409 128.276 122.820 0.079 0.000 1.903 470 A HA 0.586 4.900 4.320 -0.011 0.000 0.213 470 A C 0.995 178.619 177.584 0.066 0.000 1.185 470 A CA 1.028 53.098 52.037 0.055 0.000 0.628 470 A CB 0.198 19.218 19.000 0.033 0.000 0.830 470 A HN 0.836 nan 8.150 nan 0.000 0.446 471 A N -2.620 120.248 122.820 0.079 0.000 2.601 471 A HA 0.551 4.865 4.320 -0.011 0.000 0.291 471 A C -1.609 176.042 177.584 0.113 0.000 1.075 471 A CA -0.409 51.688 52.037 0.101 0.000 0.671 471 A CB 0.213 19.263 19.000 0.083 0.000 1.277 471 A HN 0.540 nan 8.150 nan 0.000 0.417 472 Y N 1.242 121.550 120.300 0.012 0.000 2.342 472 Y HA 0.556 5.101 4.550 -0.009 0.000 0.338 472 Y C -0.549 175.350 175.900 -0.002 0.000 0.965 472 Y CA -0.539 57.549 58.100 -0.020 0.000 1.159 472 Y CB 1.331 39.751 38.460 -0.066 0.000 1.157 472 Y HN 0.537 nan 8.280 nan 0.000 0.486 473 V N 7.969 127.992 119.914 0.181 0.000 2.481 473 V HA 0.282 4.396 4.120 -0.011 0.000 0.286 473 V C -0.068 176.147 176.094 0.202 0.000 1.042 473 V CA -0.588 61.815 62.300 0.172 0.000 0.928 473 V CB 1.492 33.381 31.823 0.110 0.000 0.986 473 V HN 0.632 nan 8.190 nan 0.000 0.462 474 I N 4.971 125.631 120.570 0.151 0.000 2.412 474 I HA 0.253 4.416 4.170 -0.011 0.000 0.279 474 I C 0.695 176.842 176.117 0.050 0.000 1.063 474 I CA -0.147 61.244 61.300 0.152 0.000 1.193 474 I CB 1.235 39.287 38.000 0.087 0.000 1.370 474 I HN 0.698 nan 8.210 nan 0.000 0.479 475 S N 6.622 122.349 115.700 0.044 0.000 2.579 475 S HA 0.244 4.707 4.470 -0.011 0.000 0.275 475 S C 0.919 175.529 174.600 0.018 0.000 1.345 475 S CA -0.380 57.828 58.200 0.013 0.000 1.031 475 S CB 0.930 64.133 63.200 0.006 0.000 0.892 475 S HN 0.667 nan 8.310 nan 0.000 0.529 476 M N -0.966 118.642 119.600 0.014 0.000 2.653 476 M HA -0.184 4.290 4.480 -0.011 0.000 0.203 476 M C 0.403 176.728 176.300 0.041 0.000 0.502 476 M CA 0.956 56.276 55.300 0.033 0.000 0.601 476 M CB -2.840 29.781 32.600 0.035 0.000 2.228 476 M HN 1.044 nan 8.290 nan 0.000 0.711 477 A N 0.597 123.409 122.820 -0.012 0.000 2.451 477 A HA 0.317 4.630 4.320 -0.011 0.000 0.266 477 A C 1.156 178.828 177.584 0.147 0.000 1.119 477 A CA 0.318 52.354 52.037 -0.002 0.000 0.786 477 A CB 0.325 19.200 19.000 -0.209 0.000 1.061 477 A HN 0.572 nan 8.150 nan 0.000 0.503 478 K N 0.647 121.143 120.400 0.160 0.000 2.436 478 K HA 0.123 4.437 4.320 -0.011 0.000 0.198 478 K C 0.357 177.060 176.600 0.173 0.000 1.174 478 K CA 1.098 57.498 56.287 0.188 0.000 0.951 478 K CB 0.699 33.267 32.500 0.115 0.000 1.040 478 K HN 0.855 nan 8.250 nan 0.000 0.536 479 T N -2.692 111.948 114.554 0.143 0.000 2.838 479 T HA 0.277 4.621 4.350 -0.011 0.000 0.292 479 T C -2.599 172.158 174.700 0.096 0.000 1.113 479 T CA -1.785 60.379 62.100 0.106 0.000 1.008 479 T CB 1.816 70.730 68.868 0.076 0.000 1.259 479 T HN -0.345 nan 8.240 nan 0.000 0.520 480 P HA -0.059 nan 4.420 nan 0.000 0.218 480 P C 1.815 179.139 177.300 0.039 0.000 1.149 480 P CA 1.304 64.417 63.100 0.021 0.000 0.817 480 P CB -0.115 31.579 31.700 -0.010 0.000 0.785 481 S N -1.108 114.639 115.700 0.079 0.000 2.447 481 S HA -0.156 4.308 4.470 -0.011 0.000 0.233 481 S C 1.602 176.290 174.600 0.147 0.000 1.006 481 S CA 1.203 59.483 58.200 0.134 0.000 0.957 481 S CB -1.208 62.088 63.200 0.160 0.000 0.773 481 S HN 0.030 nan 8.310 nan 0.000 0.507 482 D N 1.621 122.092 120.400 0.117 0.000 2.117 482 D HA -0.036 4.598 4.640 -0.011 0.000 0.197 482 D C 2.032 178.363 176.300 0.053 0.000 0.987 482 D CA 1.030 55.093 54.000 0.105 0.000 0.829 482 D CB -0.461 40.396 40.800 0.095 0.000 0.961 482 D HN 0.370 nan 8.370 nan 0.000 0.460 483 V N 0.656 120.601 119.914 0.051 0.000 2.407 483 V HA -0.123 3.991 4.120 -0.011 0.000 0.245 483 V C 2.523 178.703 176.094 0.142 0.000 1.041 483 V CA 0.832 63.170 62.300 0.063 0.000 1.040 483 V CB -0.326 31.529 31.823 0.053 0.000 0.671 483 V HN 0.182 nan 8.190 nan 0.000 0.455 484 L N 0.250 121.556 121.223 0.138 0.000 2.131 484 L HA -0.141 4.193 4.340 -0.011 0.000 0.210 484 L C 2.727 179.673 176.870 0.125 0.000 1.092 484 L CA 1.351 56.306 54.840 0.192 0.000 0.759 484 L CB -0.834 41.307 42.059 0.135 0.000 0.903 484 L HN 0.361 nan 8.230 nan 0.000 0.435 485 A N 0.299 123.163 122.820 0.073 0.000 1.883 485 A HA -0.212 4.102 4.320 -0.011 0.000 0.217 485 A C 2.416 179.909 177.584 -0.152 0.000 1.186 485 A CA 2.163 54.196 52.037 -0.007 0.000 0.624 485 A CB -1.013 17.996 19.000 0.014 0.000 0.822 485 A HN 0.318 nan 8.150 nan 0.000 0.444 486 V N -2.149 117.577 119.914 -0.313 0.000 2.515 486 V HA -0.219 3.894 4.120 -0.011 0.000 0.250 486 V C 2.129 178.014 176.094 -0.347 0.000 1.058 486 V CA 2.425 64.389 62.300 -0.560 0.000 1.064 486 V CB -1.226 29.942 31.823 -1.092 0.000 0.675 486 V HN 0.655 nan 8.190 nan 0.000 0.461 487 H N -0.349 118.648 119.070 -0.122 0.000 2.387 487 H HA -0.079 4.470 4.556 -0.011 0.000 0.299 487 H C 2.231 177.539 175.328 -0.033 0.000 1.090 487 H CA 2.262 58.308 56.048 -0.003 0.000 1.332 487 H CB 0.081 29.959 29.762 0.194 0.000 1.386 487 H HN 0.520 nan 8.280 nan 0.000 0.516 488 L N 0.799 122.045 121.223 0.039 0.000 2.005 488 L HA -0.138 4.195 4.340 -0.011 0.000 0.207 488 L C 2.422 179.265 176.870 -0.045 0.000 1.072 488 L CA 1.252 56.069 54.840 -0.037 0.000 0.744 488 L CB -0.783 41.235 42.059 -0.069 0.000 0.895 488 L HN 0.104 nan 8.230 nan 0.000 0.433 489 L N -1.023 120.158 121.223 -0.071 0.000 2.013 489 L HA -0.291 4.043 4.340 -0.011 0.000 0.212 489 L C 2.581 179.424 176.870 -0.045 0.000 1.073 489 L CA 1.633 56.442 54.840 -0.052 0.000 0.753 489 L CB -0.706 41.309 42.059 -0.074 0.000 0.890 489 L HN 0.335 nan 8.230 nan 0.000 0.432 490 L N -0.379 120.791 121.223 -0.087 0.000 2.079 490 L HA -0.239 4.095 4.340 -0.011 0.000 0.210 490 L C 2.809 179.653 176.870 -0.043 0.000 1.081 490 L CA 1.188 55.985 54.840 -0.071 0.000 0.752 490 L CB -0.555 41.430 42.059 -0.122 0.000 0.896 490 L HN 0.282 nan 8.230 nan 0.000 0.433 491 K N 0.133 120.522 120.400 -0.017 0.000 2.057 491 K HA -0.204 4.110 4.320 -0.011 0.000 0.207 491 K C 1.983 178.575 176.600 -0.012 0.000 1.049 491 K CA 1.370 57.654 56.287 -0.005 0.000 0.931 491 K CB 0.103 32.608 32.500 0.009 0.000 0.714 491 K HN 0.123 nan 8.250 nan 0.000 0.440 492 E N 0.357 120.550 120.200 -0.012 0.000 2.150 492 E HA -0.067 4.277 4.350 -0.011 0.000 0.193 492 E C 1.545 178.152 176.600 0.013 0.000 0.985 492 E CA 1.040 57.440 56.400 -0.000 0.000 0.814 492 E CB -0.223 29.480 29.700 0.006 0.000 0.752 492 E HN 0.371 nan 8.360 nan 0.000 0.466 493 A N -0.172 122.654 122.820 0.009 0.000 2.206 493 A HA 0.289 4.603 4.320 -0.011 0.000 0.211 493 A C 1.085 178.676 177.584 0.012 0.000 1.158 493 A CA 0.920 52.970 52.037 0.020 0.000 0.761 493 A CB -0.427 18.588 19.000 0.026 0.000 0.801 493 A HN 0.213 nan 8.150 nan 0.000 0.473 494 G N -0.782 108.016 108.800 -0.003 0.000 2.905 494 G HA2 -0.086 3.868 3.960 -0.011 0.000 0.245 494 G HA3 -0.086 3.868 3.960 -0.011 0.000 0.245 494 G C -0.563 174.316 174.900 -0.036 0.000 1.004 494 G CA 0.148 45.245 45.100 -0.005 0.000 1.089 494 G HN 1.021 nan 8.290 nan 0.000 0.456 495 I N 1.688 122.204 120.570 -0.090 0.000 2.582 495 I HA 0.726 4.890 4.170 -0.011 0.000 0.292 495 I C 1.101 177.091 176.117 -0.212 0.000 1.066 495 I CA -0.260 60.898 61.300 -0.235 0.000 1.053 495 I CB 1.759 39.524 38.000 -0.392 0.000 1.241 495 I HN 0.435 nan 8.210 nan 0.000 0.421 496 G N 5.984 114.692 108.800 -0.154 0.000 2.986 496 G HA2 0.157 4.111 3.960 -0.011 0.000 0.213 496 G HA3 0.157 4.111 3.960 -0.011 0.000 0.213 496 G C -0.008 174.952 174.900 0.100 0.000 1.156 496 G CA 0.051 45.170 45.100 0.031 0.000 0.763 496 G HN 0.508 nan 8.290 nan 0.000 0.547 497 F N -1.350 118.621 119.950 0.035 0.000 2.639 497 F HA 0.831 5.353 4.527 -0.008 0.000 0.339 497 F C 0.052 175.872 175.800 0.034 0.000 1.071 497 F CA -2.281 55.734 58.000 0.025 0.000 0.994 497 F CB 1.361 40.374 39.000 0.021 0.000 1.341 497 F HN -0.043 nan 8.300 nan 0.000 0.498 498 A N 2.321 125.258 122.820 0.196 0.000 2.343 498 A HA 0.541 4.855 4.320 -0.011 0.000 0.305 498 A C -0.469 177.222 177.584 0.179 0.000 1.308 498 A CA -0.423 51.678 52.037 0.105 0.000 0.949 498 A CB -0.233 18.794 19.000 0.044 0.000 1.148 498 A HN 0.771 nan 8.150 nan 0.000 0.545 499 M N 5.049 124.712 119.600 0.106 0.000 2.120 499 M HA 0.409 4.883 4.480 -0.011 0.000 0.354 499 M C -2.479 173.879 176.300 0.098 0.000 1.287 499 M CA -2.029 53.349 55.300 0.132 0.000 1.103 499 M CB 0.392 33.000 32.600 0.013 0.000 1.623 499 M HN 0.241 nan 8.290 nan 0.000 0.471 500 P HA 0.082 nan 4.420 nan 0.000 0.260 500 P C -1.278 176.079 177.300 0.095 0.000 1.207 500 P CA -0.027 63.132 63.100 0.098 0.000 0.780 500 P CB 0.169 31.918 31.700 0.082 0.000 0.789 501 V N 3.443 123.416 119.914 0.098 0.000 2.472 501 V HA 0.722 4.835 4.120 -0.011 0.000 0.290 501 V C 0.294 176.467 176.094 0.131 0.000 1.037 501 V CA -0.604 61.732 62.300 0.061 0.000 0.908 501 V CB 1.563 33.328 31.823 -0.097 0.000 0.985 501 V HN 0.576 nan 8.190 nan 0.000 0.454 502 A N 6.638 129.533 122.820 0.125 0.000 2.359 502 A HA 0.899 5.213 4.320 -0.011 0.000 0.303 502 A C -2.989 174.609 177.584 0.025 0.000 1.066 502 A CA -1.757 50.347 52.037 0.112 0.000 0.730 502 A CB 1.848 20.954 19.000 0.177 0.000 1.211 502 A HN 0.592 nan 8.150 nan 0.000 0.439 503 P HA 0.387 nan 4.420 nan 0.000 0.278 503 P C -0.777 176.237 177.300 -0.476 0.000 1.238 503 P CA -0.294 62.593 63.100 -0.355 0.000 0.794 503 P CB 0.952 32.268 31.700 -0.640 0.000 0.955 504 L N 4.008 124.983 121.223 -0.413 0.000 2.295 504 L HA 0.481 4.814 4.340 -0.011 0.000 0.281 504 L C -1.319 175.358 176.870 -0.322 0.000 1.018 504 L CA -0.534 54.140 54.840 -0.277 0.000 0.841 504 L CB -0.383 41.636 42.059 -0.067 0.000 1.218 504 L HN 0.096 nan 8.230 nan 0.000 0.424 505 F N 4.280 124.256 119.950 0.044 0.000 2.421 505 F HA 0.339 4.859 4.527 -0.011 0.000 0.358 505 F C 0.904 176.720 175.800 0.026 0.000 1.115 505 F CA -0.203 57.816 58.000 0.031 0.000 1.160 505 F CB 0.812 39.825 39.000 0.022 0.000 1.123 505 F HN 0.632 nan 8.300 nan 0.000 0.508 506 E N 1.073 121.372 120.200 0.164 0.000 3.729 506 E HA 0.311 4.654 4.350 -0.011 0.000 0.195 506 E C -0.663 175.977 176.600 0.067 0.000 1.005 506 E CA -0.401 56.057 56.400 0.097 0.000 1.356 506 E CB 0.908 30.647 29.700 0.064 0.000 1.138 506 E HN 0.459 nan 8.360 nan 0.000 0.450 507 T N 0.296 114.898 114.554 0.079 0.000 2.889 507 T HA 0.171 4.514 4.350 -0.011 0.000 0.315 507 T C 0.242 174.965 174.700 0.039 0.000 1.291 507 T CA -0.635 61.492 62.100 0.045 0.000 1.028 507 T CB 1.914 70.813 68.868 0.051 0.000 1.235 507 T HN 0.209 nan 8.240 nan 0.000 0.491 508 L N 2.185 123.420 121.223 0.020 0.000 1.989 508 L HA -0.059 4.275 4.340 -0.011 0.000 0.211 508 L C 2.034 178.908 176.870 0.007 0.000 1.071 508 L CA 2.203 57.053 54.840 0.016 0.000 0.749 508 L CB -0.434 41.637 42.059 0.020 0.000 0.890 508 L HN 0.731 nan 8.230 nan 0.000 0.431 509 D N -0.591 119.816 120.400 0.010 0.000 2.123 509 D HA -0.205 4.428 4.640 -0.011 0.000 0.196 509 D C 1.623 177.915 176.300 -0.013 0.000 0.992 509 D CA 1.621 55.620 54.000 -0.001 0.000 0.833 509 D CB -0.307 40.497 40.800 0.008 0.000 0.954 509 D HN 0.477 nan 8.370 nan 0.000 0.455 510 D N 1.001 121.416 120.400 0.025 0.000 2.117 510 D HA -0.084 4.550 4.640 -0.011 0.000 0.197 510 D C 2.476 178.727 176.300 -0.081 0.000 0.987 510 D CA 0.292 54.319 54.000 0.046 0.000 0.829 510 D CB -0.402 40.515 40.800 0.195 0.000 0.961 510 D HN 0.226 nan 8.370 nan 0.000 0.460 511 L N 0.836 122.043 121.223 -0.026 0.000 2.012 511 L HA -0.207 4.126 4.340 -0.011 0.000 0.210 511 L C 2.153 178.923 176.870 -0.167 0.000 1.073 511 L CA 0.970 55.756 54.840 -0.091 0.000 0.748 511 L CB -0.372 41.681 42.059 -0.010 0.000 0.891 511 L HN -0.015 nan 8.230 nan 0.000 0.431 512 N N 0.407 119.041 118.700 -0.111 0.000 2.104 512 N HA -0.201 4.532 4.740 -0.011 0.000 0.190 512 N C 1.459 176.883 175.510 -0.144 0.000 1.024 512 N CA 1.569 54.551 53.050 -0.113 0.000 0.853 512 N CB -0.471 37.976 38.487 -0.065 0.000 1.008 512 N HN 0.390 nan 8.380 nan 0.000 0.424 513 N N -0.021 118.584 118.700 -0.158 0.000 2.422 513 N HA 0.168 4.901 4.740 -0.011 0.000 0.181 513 N C 1.509 176.844 175.510 -0.292 0.000 1.080 513 N CA 0.418 53.367 53.050 -0.167 0.000 0.893 513 N CB 0.117 38.542 38.487 -0.104 0.000 0.973 513 N HN 0.175 nan 8.380 nan 0.000 0.456 514 A N 1.503 124.011 122.820 -0.519 0.000 1.896 514 A HA -0.326 3.988 4.320 -0.011 0.000 0.220 514 A C 2.060 179.368 177.584 -0.459 0.000 1.206 514 A CA 2.145 53.630 52.037 -0.920 0.000 0.647 514 A CB -0.914 17.375 19.000 -1.184 0.000 0.828 514 A HN 0.389 nan 8.150 nan 0.000 0.455 515 N N -0.341 118.191 118.700 -0.280 0.000 2.120 515 N HA -0.153 4.580 4.740 -0.011 0.000 0.188 515 N C 1.343 176.790 175.510 -0.105 0.000 1.024 515 N CA 1.829 54.788 53.050 -0.151 0.000 0.852 515 N CB -0.270 38.146 38.487 -0.118 0.000 1.003 515 N HN 0.445 nan 8.380 nan 0.000 0.424 516 D N -0.505 119.829 120.400 -0.111 0.000 2.097 516 D HA -0.101 4.532 4.640 -0.011 0.000 0.195 516 D C 1.999 178.268 176.300 -0.052 0.000 0.989 516 D CA 0.778 54.737 54.000 -0.068 0.000 0.827 516 D CB -0.332 40.431 40.800 -0.061 0.000 0.966 516 D HN 0.094 nan 8.370 nan 0.000 0.456 517 V N 1.340 121.212 119.914 -0.070 0.000 2.332 517 V HA -0.249 3.865 4.120 -0.011 0.000 0.248 517 V C 2.363 178.464 176.094 0.012 0.000 1.055 517 V CA 1.278 63.573 62.300 -0.009 0.000 1.038 517 V CB -0.288 31.562 31.823 0.045 0.000 0.651 517 V HN 0.246 nan 8.190 nan 0.000 0.450 518 M N -0.152 119.454 119.600 0.010 0.000 2.419 518 M HA -0.040 4.433 4.480 -0.011 0.000 0.264 518 M C 2.364 178.676 176.300 0.021 0.000 1.082 518 M CA 1.822 57.146 55.300 0.040 0.000 1.119 518 M CB -1.544 31.102 32.600 0.076 0.000 1.398 518 M HN 0.633 nan 8.290 nan 0.000 0.453 519 T N -0.954 113.602 114.554 0.002 0.000 2.942 519 T HA -0.154 4.190 4.350 -0.011 0.000 0.265 519 T C 1.809 176.514 174.700 0.009 0.000 1.062 519 T CA 1.397 63.502 62.100 0.008 0.000 1.139 519 T CB 0.066 68.934 68.868 -0.001 0.000 0.883 519 T HN 0.250 nan 8.240 nan 0.000 0.468 520 Q N 1.029 120.829 119.800 -0.001 0.000 2.016 520 Q HA 0.084 4.417 4.340 -0.011 0.000 0.200 520 Q C 2.255 178.251 176.000 -0.007 0.000 0.978 520 Q CA 1.693 57.496 55.803 0.000 0.000 0.833 520 Q CB -0.997 27.740 28.738 -0.003 0.000 0.895 520 Q HN 0.635 nan 8.270 nan 0.000 0.427 521 L N -0.224 120.971 121.223 -0.046 0.000 2.013 521 L HA -0.207 4.127 4.340 -0.011 0.000 0.212 521 L C 2.323 179.192 176.870 -0.002 0.000 1.073 521 L CA 1.273 56.025 54.840 -0.146 0.000 0.753 521 L CB -0.419 41.435 42.059 -0.341 0.000 0.890 521 L HN 0.298 nan 8.230 nan 0.000 0.432 522 L N -0.579 120.685 121.223 0.068 0.000 2.465 522 L HA -0.119 4.214 4.340 -0.011 0.000 0.224 522 L C 1.843 178.768 176.870 0.091 0.000 1.145 522 L CA 0.297 55.216 54.840 0.131 0.000 0.834 522 L CB -0.486 41.632 42.059 0.098 0.000 0.944 522 L HN 0.318 nan 8.230 nan 0.000 0.451 523 N N 0.208 118.945 118.700 0.062 0.000 2.463 523 N HA 0.090 4.824 4.740 -0.011 0.000 0.181 523 N C 0.641 176.193 175.510 0.070 0.000 1.078 523 N CA 0.469 53.550 53.050 0.052 0.000 0.902 523 N CB 0.206 38.714 38.487 0.033 0.000 0.970 523 N HN 0.265 nan 8.380 nan 0.000 0.451 524 I N 1.979 122.609 120.570 0.100 0.000 2.406 524 I HA -0.035 4.128 4.170 -0.011 0.000 0.293 524 I C 0.770 176.986 176.117 0.164 0.000 1.101 524 I CA -0.285 61.099 61.300 0.140 0.000 1.334 524 I CB 0.682 38.786 38.000 0.174 0.000 1.421 524 I HN -0.181 nan 8.210 nan 0.000 0.513 525 D N 4.792 125.267 120.400 0.125 0.000 2.158 525 D HA -0.254 4.380 4.640 -0.011 0.000 0.197 525 D C 1.575 177.929 176.300 0.090 0.000 0.995 525 D CA 1.416 55.470 54.000 0.090 0.000 0.846 525 D CB -0.042 40.799 40.800 0.069 0.000 0.941 525 D HN 0.718 nan 8.370 nan 0.000 0.456 526 W N 0.368 121.682 121.300 0.022 0.000 2.358 526 W HA -0.263 4.398 4.660 0.000 0.000 0.303 526 W C 2.265 178.781 176.519 -0.005 0.000 1.208 526 W CA 1.188 58.534 57.345 0.002 0.000 1.274 526 W CB -0.709 28.753 29.460 0.004 0.000 1.138 526 W HN 0.008 nan 8.180 nan 0.000 0.515 527 Y N 1.095 121.379 120.300 -0.027 0.000 2.181 527 Y HA -0.214 4.329 4.550 -0.012 0.000 0.288 527 Y C 2.808 178.504 175.900 -0.339 0.000 1.146 527 Y CA 2.698 60.649 58.100 -0.247 0.000 1.164 527 Y CB -0.833 37.647 38.460 0.033 0.000 0.982 527 Y HN -0.075 nan 8.280 nan 0.000 0.515 528 R N -0.440 119.985 120.500 -0.126 0.000 2.091 528 R HA -0.126 4.207 4.340 -0.011 0.000 0.238 528 R C 2.329 178.456 176.300 -0.288 0.000 1.136 528 R CA 1.611 57.619 56.100 -0.153 0.000 0.959 528 R CB -0.833 29.454 30.300 -0.023 0.000 0.856 528 R HN 0.476 nan 8.270 nan 0.000 0.437 529 G N -0.149 108.444 108.800 -0.346 0.000 2.712 529 G HA2 -0.135 3.819 3.960 -0.011 0.000 0.212 529 G HA3 -0.135 3.819 3.960 -0.011 0.000 0.212 529 G C 1.167 175.780 174.900 -0.478 0.000 1.142 529 G CA 0.106 45.000 45.100 -0.344 0.000 0.789 529 G HN 0.301 nan 8.290 nan 0.000 0.535 530 L N 1.197 121.964 121.223 -0.759 0.000 2.209 530 L HA 0.255 4.588 4.340 -0.011 0.000 0.207 530 L C 2.392 178.931 176.870 -0.552 0.000 1.094 530 L CA 1.085 55.451 54.840 -0.790 0.000 0.790 530 L CB -0.195 41.067 42.059 -1.328 0.000 0.932 530 L HN 0.354 nan 8.230 nan 0.000 0.447 531 I N -2.875 117.346 120.570 -0.583 0.000 3.564 531 I HA 0.047 4.210 4.170 -0.011 0.000 0.294 531 I C 0.438 176.427 176.117 -0.213 0.000 1.289 531 I CA 0.032 61.108 61.300 -0.374 0.000 1.325 531 I CB -0.716 37.014 38.000 -0.450 0.000 1.039 531 I HN 0.294 nan 8.210 nan 0.000 0.474 532 Q N 1.977 121.651 119.800 -0.210 0.000 2.439 532 Q HA -0.196 4.138 4.340 -0.011 0.000 0.325 532 Q C 1.043 176.986 176.000 -0.095 0.000 1.372 532 Q CA 0.723 56.445 55.803 -0.135 0.000 0.909 532 Q CB -2.031 26.645 28.738 -0.104 0.000 1.167 532 Q HN 0.996 nan 8.270 nan 0.000 0.418 533 G N -0.520 108.225 108.800 -0.092 0.000 2.160 533 G HA2 -0.345 3.609 3.960 -0.011 0.000 0.251 533 G HA3 -0.345 3.609 3.960 -0.011 0.000 0.251 533 G C -0.188 174.690 174.900 -0.037 0.000 1.008 533 G CA 0.597 45.664 45.100 -0.056 0.000 0.724 533 G HN 0.331 nan 8.290 nan 0.000 0.514 534 K N -0.503 119.871 120.400 -0.043 0.000 2.535 534 K HA 0.586 4.900 4.320 -0.011 0.000 0.251 534 K C -0.683 175.921 176.600 0.007 0.000 0.942 534 K CA -0.782 55.498 56.287 -0.012 0.000 0.798 534 K CB 1.922 34.414 32.500 -0.013 0.000 1.267 534 K HN 0.073 nan 8.250 nan 0.000 0.434 535 Q N 2.192 122.020 119.800 0.046 0.000 2.413 535 Q HA 0.505 4.839 4.340 -0.011 0.000 0.276 535 Q C -1.487 174.569 176.000 0.093 0.000 1.099 535 Q CA -0.751 55.107 55.803 0.092 0.000 0.814 535 Q CB 2.820 31.639 28.738 0.136 0.000 1.379 535 Q HN 0.717 nan 8.270 nan 0.000 0.436 536 M N 2.247 121.917 119.600 0.116 0.000 2.204 536 M HA 0.473 4.946 4.480 -0.011 0.000 0.293 536 M C -1.765 174.622 176.300 0.146 0.000 0.994 536 M CA -0.579 54.789 55.300 0.113 0.000 0.925 536 M CB 1.462 34.116 32.600 0.091 0.000 1.577 536 M HN 0.304 nan 8.290 nan 0.000 0.439 537 V N 5.124 125.128 119.914 0.150 0.000 2.850 537 V HA 0.609 4.722 4.120 -0.011 0.000 0.315 537 V C -0.389 175.793 176.094 0.147 0.000 1.064 537 V CA -0.751 61.642 62.300 0.155 0.000 0.979 537 V CB 2.098 34.050 31.823 0.216 0.000 1.039 537 V HN 0.983 nan 8.190 nan 0.000 0.452 538 M N 3.701 123.350 119.600 0.082 0.000 2.321 538 M HA 0.564 5.037 4.480 -0.011 0.000 0.315 538 M C -1.836 174.469 176.300 0.008 0.000 1.052 538 M CA -0.656 54.656 55.300 0.021 0.000 0.936 538 M CB 1.473 34.065 32.600 -0.013 0.000 1.639 538 M HN 0.393 nan 8.290 nan 0.000 0.433 539 I N 4.103 124.647 120.570 -0.042 0.000 2.312 539 I HA 0.306 4.469 4.170 -0.011 0.000 0.290 539 I C 0.836 176.989 176.117 0.060 0.000 1.008 539 I CA -0.470 60.858 61.300 0.046 0.000 1.226 539 I CB 0.796 38.794 38.000 -0.002 0.000 1.371 539 I HN 0.887 nan 8.210 nan 0.000 0.468 540 G N 5.456 114.315 108.800 0.097 0.000 3.209 540 G HA2 -0.006 3.948 3.960 -0.011 0.000 0.274 540 G HA3 -0.006 3.948 3.960 -0.011 0.000 0.274 540 G C 0.689 175.659 174.900 0.117 0.000 0.850 540 G CA -0.272 44.882 45.100 0.090 0.000 1.907 540 G HN 0.674 nan 8.290 nan 0.000 0.591 541 Y N 2.089 122.427 120.300 0.063 0.000 2.053 541 Y HA -0.267 4.277 4.550 -0.011 0.000 0.277 541 Y C 2.768 178.708 175.900 0.067 0.000 1.159 541 Y CA 2.460 60.604 58.100 0.075 0.000 1.125 541 Y CB -0.200 38.313 38.460 0.088 0.000 0.969 541 Y HN 0.398 nan 8.280 nan 0.000 0.492 542 S N 0.073 115.786 115.700 0.022 0.000 2.402 542 S HA -0.214 4.249 4.470 -0.011 0.000 0.233 542 S C 1.615 176.182 174.600 -0.056 0.000 1.030 542 S CA 1.564 59.743 58.200 -0.034 0.000 1.003 542 S CB -0.394 62.897 63.200 0.152 0.000 0.813 542 S HN 0.598 nan 8.310 nan 0.000 0.477 543 D N 0.361 120.749 120.400 -0.021 0.000 2.216 543 D HA 0.044 4.677 4.640 -0.011 0.000 0.208 543 D C 2.165 178.432 176.300 -0.055 0.000 0.960 543 D CA 0.815 54.811 54.000 -0.007 0.000 0.861 543 D CB -0.130 40.686 40.800 0.027 0.000 0.985 543 D HN 0.371 nan 8.370 nan 0.000 0.493 544 S N 1.518 117.171 115.700 -0.080 0.000 2.370 544 S HA -0.149 4.314 4.470 -0.011 0.000 0.226 544 S C 2.242 176.741 174.600 -0.168 0.000 1.033 544 S CA 1.119 59.267 58.200 -0.087 0.000 1.011 544 S CB -0.296 62.874 63.200 -0.051 0.000 0.852 544 S HN 0.296 nan 8.310 nan 0.000 0.457 545 A N 1.799 124.424 122.820 -0.323 0.000 2.019 545 A HA -0.104 4.209 4.320 -0.011 0.000 0.219 545 A C 2.103 179.546 177.584 -0.234 0.000 1.164 545 A CA 1.732 53.545 52.037 -0.374 0.000 0.644 545 A CB -0.537 18.119 19.000 -0.572 0.000 0.805 545 A HN 0.508 nan 8.150 nan 0.000 0.449 546 K N -0.511 119.843 120.400 -0.076 0.000 2.103 546 K HA -0.176 4.138 4.320 -0.011 0.000 0.204 546 K C 1.678 178.296 176.600 0.030 0.000 1.052 546 K CA 1.437 57.734 56.287 0.015 0.000 0.945 546 K CB -0.139 32.321 32.500 -0.067 0.000 0.722 546 K HN 0.415 nan 8.250 nan 0.000 0.443 547 D N 0.017 120.405 120.400 -0.019 0.000 2.077 547 D HA -0.095 4.538 4.640 -0.011 0.000 0.197 547 D C 1.252 177.612 176.300 0.100 0.000 0.983 547 D CA 1.855 55.867 54.000 0.020 0.000 0.841 547 D CB -0.020 40.774 40.800 -0.010 0.000 0.992 547 D HN 0.251 nan 8.370 nan 0.000 0.450 548 A N -1.133 121.686 122.820 -0.002 0.000 2.390 548 A HA 0.610 4.923 4.320 -0.011 0.000 0.232 548 A C 0.914 178.353 177.584 -0.242 0.000 1.233 548 A CA 0.802 52.836 52.037 -0.006 0.000 0.907 548 A CB 0.022 19.017 19.000 -0.008 0.000 0.967 548 A HN 0.575 nan 8.150 nan 0.000 0.512 549 G N -1.470 106.862 108.800 -0.779 0.000 2.663 549 G HA2 0.045 3.999 3.960 -0.011 0.000 0.686 549 G HA3 0.045 3.999 3.960 -0.011 0.000 0.686 549 G C 0.697 175.328 174.900 -0.448 0.000 1.246 549 G CA -0.014 44.458 45.100 -1.046 0.000 0.795 549 G HN 1.413 nan 8.290 nan 0.000 0.627 550 V N -1.283 118.440 119.914 -0.318 0.000 2.626 550 V HA -0.024 4.090 4.120 -0.011 0.000 0.252 550 V C 2.540 178.649 176.094 0.025 0.000 1.067 550 V CA 2.370 64.601 62.300 -0.115 0.000 1.081 550 V CB -0.538 31.279 31.823 -0.009 0.000 0.686 550 V HN 0.745 nan 8.190 nan 0.000 0.468 551 M N 0.912 120.529 119.600 0.028 0.000 2.099 551 M HA 0.053 4.526 4.480 -0.011 0.000 0.262 551 M C 2.485 178.918 176.300 0.223 0.000 1.067 551 M CA 2.317 57.692 55.300 0.125 0.000 1.124 551 M CB -1.284 31.383 32.600 0.111 0.000 1.353 551 M HN 0.546 nan 8.290 nan 0.000 0.410 552 A N 0.007 122.927 122.820 0.166 0.000 1.877 552 A HA -0.042 4.272 4.320 -0.011 0.000 0.216 552 A C 2.377 180.078 177.584 0.195 0.000 1.186 552 A CA 2.285 54.444 52.037 0.204 0.000 0.620 552 A CB -1.075 17.994 19.000 0.114 0.000 0.822 552 A HN 0.491 nan 8.150 nan 0.000 0.443 553 A N -0.416 122.460 122.820 0.093 0.000 1.865 553 A HA -0.129 4.184 4.320 -0.011 0.000 0.217 553 A C 2.468 180.212 177.584 0.267 0.000 1.191 553 A CA 2.312 54.396 52.037 0.078 0.000 0.623 553 A CB -1.083 17.837 19.000 -0.133 0.000 0.826 553 A HN 0.477 nan 8.150 nan 0.000 0.444 554 S N -1.705 114.229 115.700 0.389 0.000 2.370 554 S HA -0.195 4.269 4.470 -0.011 0.000 0.226 554 S C 1.638 176.642 174.600 0.673 0.000 1.033 554 S CA 1.187 59.715 58.200 0.546 0.000 1.011 554 S CB -0.510 62.952 63.200 0.436 0.000 0.852 554 S HN 0.784 nan 8.310 nan 0.000 0.457 555 W N 2.184 123.719 121.300 0.392 0.000 2.418 555 W HA -0.082 4.572 4.660 -0.010 0.000 0.292 555 W C 2.348 179.001 176.519 0.224 0.000 1.213 555 W CA 0.826 58.350 57.345 0.299 0.000 1.283 555 W CB -0.297 29.315 29.460 0.253 0.000 1.119 555 W HN 0.351 nan 8.180 nan 0.000 0.542 556 A N 0.937 123.824 122.820 0.112 0.000 1.883 556 A HA -0.347 3.967 4.320 -0.011 0.000 0.217 556 A C 2.009 179.587 177.584 -0.010 0.000 1.186 556 A CA 2.166 54.175 52.037 -0.046 0.000 0.624 556 A CB -1.349 17.669 19.000 0.031 0.000 0.822 556 A HN 0.591 nan 8.150 nan 0.000 0.444 557 Q N -2.052 117.838 119.800 0.150 0.000 2.119 557 Q HA -0.226 4.107 4.340 -0.011 0.000 0.201 557 Q C 1.930 177.993 176.000 0.106 0.000 0.972 557 Q CA 1.770 57.662 55.803 0.149 0.000 0.847 557 Q CB -0.384 28.512 28.738 0.264 0.000 0.903 557 Q HN 0.746 nan 8.270 nan 0.000 0.433 558 Y N 1.330 121.669 120.300 0.064 0.000 2.128 558 Y HA -0.295 4.249 4.550 -0.010 0.000 0.284 558 Y C 2.214 178.014 175.900 -0.167 0.000 1.154 558 Y CA 2.449 60.536 58.100 -0.022 0.000 1.149 558 Y CB -0.058 38.316 38.460 -0.143 0.000 0.976 558 Y HN 0.230 nan 8.280 nan 0.000 0.505 559 Q N -0.354 119.293 119.800 -0.255 0.000 2.046 559 Q HA -0.172 4.162 4.340 -0.011 0.000 0.200 559 Q C 2.560 178.416 176.000 -0.240 0.000 0.975 559 Q CA 1.357 56.964 55.803 -0.327 0.000 0.836 559 Q CB -0.401 28.031 28.738 -0.510 0.000 0.896 559 Q HN 0.618 nan 8.270 nan 0.000 0.428 560 A N 1.172 123.879 122.820 -0.189 0.000 1.902 560 A HA -0.261 4.053 4.320 -0.011 0.000 0.217 560 A C 1.978 179.484 177.584 -0.129 0.000 1.181 560 A CA 1.579 53.526 52.037 -0.150 0.000 0.623 560 A CB -0.499 18.430 19.000 -0.119 0.000 0.818 560 A HN 0.377 nan 8.150 nan 0.000 0.443 561 Q N -0.917 118.804 119.800 -0.132 0.000 2.119 561 Q HA -0.195 4.139 4.340 -0.011 0.000 0.201 561 Q C 1.744 177.664 176.000 -0.134 0.000 0.972 561 Q CA 1.373 57.112 55.803 -0.108 0.000 0.847 561 Q CB -0.258 28.430 28.738 -0.082 0.000 0.903 561 Q HN 0.723 nan 8.270 nan 0.000 0.433 562 D N 0.575 120.841 120.400 -0.224 0.000 2.117 562 D HA -0.121 4.513 4.640 -0.011 0.000 0.198 562 D C 1.822 178.063 176.300 -0.099 0.000 0.982 562 D CA 1.419 55.313 54.000 -0.176 0.000 0.828 562 D CB -0.051 40.602 40.800 -0.245 0.000 0.967 562 D HN 0.221 nan 8.370 nan 0.000 0.464 563 A N 0.124 122.881 122.820 -0.105 0.000 1.858 563 A HA -0.114 4.200 4.320 -0.011 0.000 0.216 563 A C 2.430 179.981 177.584 -0.055 0.000 1.190 563 A CA 1.402 53.393 52.037 -0.076 0.000 0.617 563 A CB -0.975 17.968 19.000 -0.095 0.000 0.827 563 A HN 0.350 nan 8.150 nan 0.000 0.443 564 L N -0.517 120.672 121.223 -0.057 0.000 2.083 564 L HA -0.187 4.147 4.340 -0.011 0.000 0.209 564 L C 2.465 179.330 176.870 -0.007 0.000 1.083 564 L CA 1.231 56.058 54.840 -0.022 0.000 0.752 564 L CB -0.571 41.489 42.059 0.001 0.000 0.899 564 L HN 0.372 nan 8.230 nan 0.000 0.433 565 I N -0.216 120.345 120.570 -0.016 0.000 2.127 565 I HA -0.339 3.825 4.170 -0.011 0.000 0.241 565 I C 2.622 178.738 176.117 -0.001 0.000 1.075 565 I CA 1.556 62.854 61.300 -0.004 0.000 1.334 565 I CB -0.265 37.728 38.000 -0.011 0.000 1.040 565 I HN 0.194 nan 8.210 nan 0.000 0.405 566 K N 0.100 120.494 120.400 -0.009 0.000 2.026 566 K HA -0.155 4.159 4.320 -0.011 0.000 0.208 566 K C 2.114 178.713 176.600 -0.001 0.000 1.048 566 K CA 2.079 58.363 56.287 -0.004 0.000 0.929 566 K CB -0.314 32.179 32.500 -0.010 0.000 0.713 566 K HN 0.289 nan 8.250 nan 0.000 0.439 567 T N 0.741 115.292 114.554 -0.004 0.000 2.607 567 T HA -0.219 4.125 4.350 -0.011 0.000 0.267 567 T C 2.105 176.812 174.700 0.013 0.000 1.049 567 T CA 1.629 63.731 62.100 0.003 0.000 1.162 567 T CB -0.586 68.282 68.868 0.001 0.000 0.863 567 T HN 0.331 nan 8.240 nan 0.000 0.424 568 C N 1.041 120.352 119.300 0.019 0.000 2.411 568 C HA -0.037 4.417 4.460 -0.011 0.000 0.279 568 C C 2.761 177.761 174.990 0.017 0.000 1.288 568 C CA 0.475 59.508 59.018 0.025 0.000 1.764 568 C CB -1.118 26.641 27.740 0.033 0.000 1.974 568 C HN 0.595 nan 8.230 nan 0.000 0.498 569 E N 1.547 121.754 120.200 0.013 0.000 2.072 569 E HA -0.098 4.246 4.350 -0.011 0.000 0.191 569 E C 2.412 179.016 176.600 0.008 0.000 0.985 569 E CA 2.178 58.584 56.400 0.010 0.000 0.801 569 E CB -0.166 29.540 29.700 0.010 0.000 0.750 569 E HN 0.610 nan 8.360 nan 0.000 0.452 570 K N 0.443 120.847 120.400 0.007 0.000 2.009 570 K HA 0.007 4.320 4.320 -0.011 0.000 0.210 570 K C 2.203 178.807 176.600 0.006 0.000 1.049 570 K CA 1.717 58.008 56.287 0.006 0.000 0.929 570 K CB -1.476 31.027 32.500 0.005 0.000 0.714 570 K HN 0.292 nan 8.250 nan 0.000 0.440 571 A N -0.475 122.351 122.820 0.010 0.000 2.248 571 A HA 0.395 4.709 4.320 -0.011 0.000 0.210 571 A C 2.114 179.702 177.584 0.006 0.000 1.174 571 A CA 1.270 53.313 52.037 0.011 0.000 0.750 571 A CB -1.023 17.989 19.000 0.020 0.000 0.780 571 A HN 1.815 nan 8.150 nan 0.000 0.478 572 G N -1.149 107.654 108.800 0.004 0.000 2.160 572 G HA2 -0.205 3.749 3.960 -0.011 0.000 0.251 572 G HA3 -0.205 3.749 3.960 -0.011 0.000 0.251 572 G C -0.052 174.847 174.900 -0.002 0.000 1.008 572 G CA 0.350 45.449 45.100 -0.001 0.000 0.724 572 G HN 0.367 nan 8.290 nan 0.000 0.514 573 I N 0.451 121.025 120.570 0.006 0.000 2.392 573 I HA 0.327 4.490 4.170 -0.011 0.000 0.295 573 I C 0.708 176.832 176.117 0.012 0.000 0.985 573 I CA -1.395 59.909 61.300 0.007 0.000 1.221 573 I CB 1.538 39.552 38.000 0.023 0.000 1.366 573 I HN 0.303 nan 8.210 nan 0.000 0.467 574 E N 5.406 125.611 120.200 0.008 0.000 2.029 574 E HA 0.137 4.480 4.350 -0.011 0.000 0.276 574 E C -0.792 175.823 176.600 0.024 0.000 1.163 574 E CA -0.616 55.791 56.400 0.013 0.000 0.909 574 E CB 0.521 30.225 29.700 0.007 0.000 1.046 574 E HN 0.377 nan 8.360 nan 0.000 0.406 575 L N 4.430 125.672 121.223 0.032 0.000 2.397 575 L HA 0.259 4.592 4.340 -0.011 0.000 0.271 575 L C -0.506 176.391 176.870 0.045 0.000 1.148 575 L CA 0.579 55.446 54.840 0.044 0.000 0.825 575 L CB 1.595 43.681 42.059 0.045 0.000 1.117 575 L HN 0.400 nan 8.230 nan 0.000 0.456 576 T N 6.018 120.604 114.554 0.054 0.000 2.840 576 T HA 0.487 4.831 4.350 -0.011 0.000 0.287 576 T C -0.431 174.313 174.700 0.072 0.000 0.991 576 T CA -0.348 61.782 62.100 0.051 0.000 0.964 576 T CB 0.641 69.528 68.868 0.032 0.000 0.954 576 T HN 0.431 nan 8.240 nan 0.000 0.438 577 L N 4.011 125.276 121.223 0.069 0.000 2.290 577 L HA 0.495 4.828 4.340 -0.011 0.000 0.284 577 L C -0.349 176.569 176.870 0.080 0.000 1.078 577 L CA -0.818 54.039 54.840 0.028 0.000 0.815 577 L CB 0.441 42.477 42.059 -0.037 0.000 1.162 577 L HN 0.502 nan 8.230 nan 0.000 0.435 578 F N 4.256 124.139 119.950 -0.112 0.000 2.405 578 F HA 0.357 4.877 4.527 -0.011 0.000 0.355 578 F C 0.211 175.918 175.800 -0.155 0.000 1.121 578 F CA -0.705 57.262 58.000 -0.056 0.000 1.112 578 F CB 0.133 39.149 39.000 0.027 0.000 1.126 578 F HN 0.385 nan 8.300 nan 0.000 0.481 579 H N 3.789 123.007 119.070 0.247 0.000 2.481 579 H HA 0.448 4.998 4.556 -0.010 0.000 0.339 579 H C 0.436 175.600 175.328 -0.273 0.000 1.131 579 H CA 0.069 56.099 56.048 -0.031 0.000 1.301 579 H CB 1.602 31.373 29.762 0.014 0.000 1.476 579 H HN 0.816 nan 8.280 nan 0.000 0.529 580 G N 1.118 109.858 108.800 -0.099 0.000 2.641 580 G HA2 0.282 4.235 3.960 -0.011 0.000 0.239 580 G HA3 0.282 4.235 3.960 -0.011 0.000 0.239 580 G C -0.545 174.337 174.900 -0.030 0.000 1.402 580 G CA -0.841 44.156 45.100 -0.172 0.000 1.046 580 G HN 0.425 nan 8.290 nan 0.000 0.565 581 R N -0.009 120.490 120.500 -0.001 0.000 2.421 581 R HA 0.494 4.828 4.340 -0.011 0.000 0.305 581 R C 1.007 177.384 176.300 0.129 0.000 1.039 581 R CA 0.595 56.728 56.100 0.056 0.000 1.003 581 R CB -0.090 30.253 30.300 0.070 0.000 0.959 581 R HN 1.310 nan 8.270 nan 0.000 0.427 582 G N 1.475 110.334 108.800 0.098 0.000 2.539 582 G HA2 0.149 4.103 3.960 -0.011 0.000 0.256 582 G HA3 0.149 4.103 3.960 -0.011 0.000 0.256 582 G C 0.419 175.322 174.900 0.005 0.000 1.233 582 G CA -0.086 45.070 45.100 0.092 0.000 0.936 582 G HN 1.393 nan 8.290 nan 0.000 0.571 583 G N -2.531 106.242 108.800 -0.045 0.000 2.828 583 G HA2 0.247 4.201 3.960 -0.011 0.000 0.463 583 G HA3 0.247 4.201 3.960 -0.011 0.000 0.463 583 G C 1.282 176.009 174.900 -0.289 0.000 1.394 583 G CA 1.456 46.257 45.100 -0.498 0.000 0.862 583 G HN 2.516 nan 8.290 nan 0.000 0.540 584 S N -0.943 114.554 115.700 -0.338 0.000 2.481 584 S HA 0.096 4.560 4.470 -0.011 0.000 0.231 584 S C 2.223 176.728 174.600 -0.158 0.000 0.996 584 S CA 1.376 59.446 58.200 -0.216 0.000 0.942 584 S CB -0.133 62.928 63.200 -0.232 0.000 0.768 584 S HN 0.689 nan 8.310 nan 0.000 0.520 585 I N 1.382 121.844 120.570 -0.179 0.000 2.761 585 I HA 0.064 4.228 4.170 -0.011 0.000 0.261 585 I C 2.136 178.219 176.117 -0.057 0.000 1.198 585 I CA 0.930 62.142 61.300 -0.147 0.000 1.482 585 I CB -0.666 37.168 38.000 -0.277 0.000 1.100 585 I HN 0.521 nan 8.210 nan 0.000 0.445 586 G N 0.858 109.631 108.800 -0.046 0.000 3.609 586 G HA2 0.089 4.043 3.960 -0.011 0.000 0.280 586 G HA3 0.089 4.043 3.960 -0.011 0.000 0.280 586 G C 1.321 176.235 174.900 0.024 0.000 1.155 586 G CA -0.376 44.737 45.100 0.023 0.000 0.876 586 G HN 0.262 nan 8.290 nan 0.000 0.535 587 R N 0.154 120.651 120.500 -0.004 0.000 2.200 587 R HA 0.248 4.582 4.340 -0.011 0.000 0.208 587 R C 1.366 177.662 176.300 -0.006 0.000 1.033 587 R CA 0.487 56.574 56.100 -0.021 0.000 1.000 587 R CB 0.037 30.305 30.300 -0.053 0.000 0.906 587 R HN 0.395 nan 8.270 nan 0.000 0.462 588 G N 0.358 109.171 108.800 0.021 0.000 2.814 588 G HA2 0.005 3.958 3.960 -0.011 0.000 0.677 588 G HA3 0.005 3.958 3.960 -0.011 0.000 0.677 588 G C 0.346 175.230 174.900 -0.027 0.000 1.429 588 G CA -0.285 44.808 45.100 -0.010 0.000 0.868 588 G HN 0.578 nan 8.290 nan 0.000 0.553 589 G N -0.357 108.404 108.800 -0.066 0.000 2.574 589 G HA2 0.172 4.125 3.960 -0.011 0.000 0.282 589 G HA3 0.172 4.125 3.960 -0.011 0.000 0.282 589 G C 1.692 176.592 174.900 -0.000 0.000 1.257 589 G CA 2.363 47.441 45.100 -0.037 0.000 0.956 589 G HN 2.546 nan 8.290 nan 0.000 0.560 590 A N 0.055 122.877 122.820 0.004 0.000 1.898 590 A HA 0.203 4.517 4.320 -0.011 0.000 0.216 590 A C 0.739 178.354 177.584 0.052 0.000 1.181 590 A CA 2.966 55.012 52.037 0.014 0.000 0.620 590 A CB -1.323 17.671 19.000 -0.011 0.000 0.819 590 A HN 0.538 nan 8.150 nan 0.000 0.442 591 P HA -0.161 nan 4.420 nan 0.000 0.216 591 P C 1.767 179.077 177.300 0.016 0.000 1.153 591 P CA 1.979 65.078 63.100 -0.002 0.000 0.858 591 P CB -0.096 31.580 31.700 -0.040 0.000 0.789 592 A N -0.571 122.273 122.820 0.039 0.000 1.865 592 A HA -0.281 4.033 4.320 -0.011 0.000 0.217 592 A C 2.379 180.027 177.584 0.105 0.000 1.191 592 A CA 1.842 53.919 52.037 0.067 0.000 0.623 592 A CB -1.988 17.085 19.000 0.122 0.000 0.826 592 A HN 0.233 nan 8.150 nan 0.000 0.444 593 H N 0.242 119.334 119.070 0.038 0.000 2.319 593 H HA -0.137 4.412 4.556 -0.010 0.000 0.299 593 H C 2.283 177.627 175.328 0.026 0.000 1.092 593 H CA 2.039 58.114 56.048 0.046 0.000 1.302 593 H CB -0.330 29.453 29.762 0.036 0.000 1.373 593 H HN 0.397 nan 8.280 nan 0.000 0.497 594 A N 1.235 124.158 122.820 0.172 0.000 1.877 594 A HA -0.104 4.210 4.320 -0.011 0.000 0.216 594 A C 2.796 180.376 177.584 -0.006 0.000 1.186 594 A CA 2.069 54.154 52.037 0.079 0.000 0.620 594 A CB -1.183 17.850 19.000 0.054 0.000 0.822 594 A HN 0.590 nan 8.150 nan 0.000 0.443 595 A N -0.759 122.046 122.820 -0.025 0.000 1.908 595 A HA -0.082 4.231 4.320 -0.011 0.000 0.218 595 A C 2.049 179.595 177.584 -0.064 0.000 1.181 595 A CA 1.845 53.844 52.037 -0.064 0.000 0.627 595 A CB -0.581 18.365 19.000 -0.091 0.000 0.818 595 A HN 0.419 nan 8.150 nan 0.000 0.445 596 L N -1.067 120.112 121.223 -0.074 0.000 2.083 596 L HA -0.090 4.244 4.340 -0.011 0.000 0.209 596 L C 2.149 178.988 176.870 -0.052 0.000 1.083 596 L CA 1.322 56.109 54.840 -0.089 0.000 0.752 596 L CB -0.845 41.157 42.059 -0.096 0.000 0.899 596 L HN 0.275 nan 8.230 nan 0.000 0.433 597 L N -1.009 120.174 121.223 -0.067 0.000 2.376 597 L HA -0.043 4.291 4.340 -0.011 0.000 0.219 597 L C 2.195 179.098 176.870 0.056 0.000 1.133 597 L CA 1.371 56.197 54.840 -0.023 0.000 0.816 597 L CB -1.128 40.902 42.059 -0.048 0.000 0.933 597 L HN 0.408 nan 8.230 nan 0.000 0.449 598 S N -1.700 114.036 115.700 0.060 0.000 2.679 598 S HA 0.154 4.618 4.470 -0.011 0.000 0.233 598 S C 0.611 175.351 174.600 0.233 0.000 0.951 598 S CA -0.485 57.791 58.200 0.128 0.000 0.973 598 S CB -0.242 62.982 63.200 0.040 0.000 0.778 598 S HN 0.421 nan 8.310 nan 0.000 0.477 599 Q N 1.433 121.346 119.800 0.189 0.000 2.205 599 Q HA 0.449 4.783 4.340 -0.011 0.000 0.249 599 Q C -2.703 173.410 176.000 0.189 0.000 0.948 599 Q CA -2.679 53.245 55.803 0.203 0.000 0.895 599 Q CB 0.614 29.419 28.738 0.112 0.000 1.249 599 Q HN 0.195 nan 8.270 nan 0.000 0.458 600 P HA -0.043 nan 4.420 nan 0.000 0.264 600 P C -2.430 174.907 177.300 0.061 0.000 1.179 600 P CA -0.567 62.523 63.100 -0.017 0.000 0.763 600 P CB -0.322 31.189 31.700 -0.313 0.000 0.806 601 P HA -0.032 nan 4.420 nan 0.000 0.266 601 P C 1.171 178.502 177.300 0.051 0.000 1.193 601 P CA 1.422 64.574 63.100 0.087 0.000 0.770 601 P CB 0.117 31.876 31.700 0.098 0.000 0.836 602 G N 1.338 110.167 108.800 0.048 0.000 2.383 602 G HA2 -0.348 3.605 3.960 -0.011 0.000 0.229 602 G HA3 -0.348 3.605 3.960 -0.011 0.000 0.229 602 G C 1.661 176.584 174.900 0.039 0.000 1.089 602 G CA 0.560 45.682 45.100 0.037 0.000 0.640 602 G HN 0.458 nan 8.290 nan 0.000 0.510 603 S N 0.024 115.750 115.700 0.042 0.000 2.422 603 S HA -0.167 4.297 4.470 -0.011 0.000 0.241 603 S C 1.746 176.390 174.600 0.073 0.000 1.076 603 S CA 1.862 60.098 58.200 0.061 0.000 1.066 603 S CB -0.195 63.051 63.200 0.076 0.000 0.890 603 S HN 0.590 nan 8.310 nan 0.000 0.465 604 L N -0.351 120.906 121.223 0.057 0.000 3.122 604 L HA 0.290 4.624 4.340 -0.011 0.000 0.274 604 L C 1.532 178.428 176.870 0.043 0.000 1.222 604 L CA -0.076 54.794 54.840 0.050 0.000 1.028 604 L CB 0.175 42.254 42.059 0.034 0.000 1.386 604 L HN 0.061 nan 8.230 nan 0.000 0.578 605 K N 0.859 121.284 120.400 0.042 0.000 2.148 605 K HA -0.042 4.271 4.320 -0.011 0.000 0.204 605 K C 1.581 178.201 176.600 0.035 0.000 1.050 605 K CA 1.269 57.578 56.287 0.037 0.000 0.942 605 K CB 0.071 32.591 32.500 0.032 0.000 0.724 605 K HN 0.357 nan 8.250 nan 0.000 0.446 606 G N -0.125 108.697 108.800 0.035 0.000 3.609 606 G HA2 0.418 4.372 3.960 -0.011 0.000 0.280 606 G HA3 0.418 4.372 3.960 -0.011 0.000 0.280 606 G C -0.060 174.856 174.900 0.027 0.000 1.155 606 G CA 0.115 45.233 45.100 0.030 0.000 0.876 606 G HN 0.511 nan 8.290 nan 0.000 0.535 607 G N -0.547 108.271 108.800 0.030 0.000 2.707 607 G HA2 0.100 4.054 3.960 -0.011 0.000 0.686 607 G HA3 0.100 4.054 3.960 -0.011 0.000 0.686 607 G C -0.774 174.134 174.900 0.013 0.000 1.315 607 G CA -0.370 44.741 45.100 0.018 0.000 0.832 607 G HN 1.021 nan 8.290 nan 0.000 0.573 608 L N 0.391 121.599 121.223 -0.026 0.000 2.272 608 L HA 0.898 5.232 4.340 -0.011 0.000 0.289 608 L C 0.332 177.152 176.870 -0.082 0.000 1.032 608 L CA -0.625 54.179 54.840 -0.061 0.000 0.810 608 L CB 1.165 43.130 42.059 -0.157 0.000 1.205 608 L HN 0.814 nan 8.230 nan 0.000 0.422 609 R N 4.778 125.275 120.500 -0.005 0.000 2.502 609 R HA 0.763 5.096 4.340 -0.011 0.000 0.298 609 R C -1.996 174.431 176.300 0.212 0.000 1.018 609 R CA -0.525 55.560 56.100 -0.025 0.000 0.899 609 R CB 1.480 31.689 30.300 -0.151 0.000 1.181 609 R HN 0.564 nan 8.270 nan 0.000 0.444 610 V N 1.062 121.060 119.914 0.140 0.000 3.078 610 V HA 0.507 4.621 4.120 -0.011 0.000 0.311 610 V C -0.230 175.973 176.094 0.182 0.000 1.138 610 V CA -0.990 61.429 62.300 0.199 0.000 1.007 610 V CB 2.142 33.965 31.823 0.001 0.000 1.045 610 V HN 0.644 nan 8.190 nan 0.000 0.432 611 T N 2.502 117.104 114.554 0.080 0.000 3.016 611 T HA 0.252 4.596 4.350 -0.011 0.000 0.335 611 T C -0.151 174.527 174.700 -0.036 0.000 1.176 611 T CA -0.194 61.840 62.100 -0.110 0.000 0.987 611 T CB -0.264 68.380 68.868 -0.373 0.000 1.073 611 T HN 0.645 nan 8.240 nan 0.000 0.547 612 E N 4.133 124.355 120.200 0.036 0.000 2.299 612 E HA 0.037 4.380 4.350 -0.011 0.000 0.272 612 E C 0.760 177.433 176.600 0.120 0.000 1.043 612 E CA -0.317 56.173 56.400 0.150 0.000 0.895 612 E CB 0.594 30.468 29.700 0.290 0.000 1.011 612 E HN 0.622 nan 8.360 nan 0.000 0.432 613 Q N 2.050 121.924 119.800 0.123 0.000 2.361 613 Q HA 0.059 4.392 4.340 -0.011 0.000 0.276 613 Q C 0.964 177.054 176.000 0.151 0.000 1.022 613 Q CA 0.395 56.267 55.803 0.115 0.000 0.898 613 Q CB 0.360 29.175 28.738 0.128 0.000 1.246 613 Q HN 0.578 nan 8.270 nan 0.000 0.410 614 G N 3.434 112.299 108.800 0.108 0.000 2.459 614 G HA2 -0.335 3.619 3.960 -0.011 0.000 0.217 614 G HA3 -0.335 3.619 3.960 -0.011 0.000 0.217 614 G C 0.820 175.691 174.900 -0.049 0.000 1.183 614 G CA 1.008 46.160 45.100 0.086 0.000 0.776 614 G HN 0.747 nan 8.290 nan 0.000 0.552 615 E N 0.110 120.173 120.200 -0.229 0.000 2.472 615 E HA 0.050 4.394 4.350 -0.011 0.000 0.200 615 E C 1.965 178.613 176.600 0.080 0.000 1.046 615 E CA 0.512 56.719 56.400 -0.322 0.000 0.871 615 E CB -0.085 29.581 29.700 -0.057 0.000 0.806 615 E HN 0.329 nan 8.360 nan 0.000 0.533 616 M N -0.159 119.544 119.600 0.172 0.000 2.333 616 M HA 0.174 4.648 4.480 -0.011 0.000 0.257 616 M C 1.186 177.628 176.300 0.235 0.000 1.078 616 M CA 0.089 55.556 55.300 0.278 0.000 1.005 616 M CB 0.177 32.909 32.600 0.219 0.000 1.444 616 M HN 0.117 nan 8.290 nan 0.000 0.496 617 I N 0.305 121.022 120.570 0.244 0.000 2.163 617 I HA -0.318 3.846 4.170 -0.011 0.000 0.243 617 I C 2.446 178.623 176.117 0.100 0.000 1.085 617 I CA 1.502 62.969 61.300 0.279 0.000 1.347 617 I CB -1.038 37.167 38.000 0.342 0.000 1.044 617 I HN 0.401 nan 8.210 nan 0.000 0.408 618 R N 0.978 121.406 120.500 -0.120 0.000 2.091 618 R HA -0.199 4.134 4.340 -0.011 0.000 0.238 618 R C 2.395 178.477 176.300 -0.364 0.000 1.136 618 R CA 1.836 57.722 56.100 -0.357 0.000 0.959 618 R CB -0.408 29.451 30.300 -0.736 0.000 0.856 618 R HN 0.259 nan 8.270 nan 0.000 0.437 619 F N 0.268 120.267 119.950 0.082 0.000 2.558 619 F HA 0.060 4.581 4.527 -0.011 0.000 0.298 619 F C 2.087 177.862 175.800 -0.041 0.000 1.119 619 F CA 0.627 58.645 58.000 0.029 0.000 1.451 619 F CB 0.183 39.200 39.000 0.027 0.000 1.091 619 F HN -0.035 nan 8.300 nan 0.000 0.563 620 K N -1.322 119.077 120.400 -0.002 0.000 2.350 620 K HA 0.128 4.442 4.320 -0.011 0.000 0.196 620 K C 0.217 176.468 176.600 -0.583 0.000 1.084 620 K CA 0.634 56.730 56.287 -0.319 0.000 0.967 620 K CB 0.254 32.472 32.500 -0.471 0.000 0.950 620 K HN 0.280 nan 8.250 nan 0.000 0.512 621 Y N -0.410 119.921 120.300 0.052 0.000 2.675 621 Y HA 0.232 4.775 4.550 -0.010 0.000 0.248 621 Y C 1.794 177.685 175.900 -0.016 0.000 1.161 621 Y CA -0.487 57.634 58.100 0.034 0.000 1.203 621 Y CB 0.602 39.103 38.460 0.068 0.000 1.262 621 Y HN 0.037 nan 8.280 nan 0.000 0.544 622 G N 0.968 109.796 108.800 0.048 0.000 2.475 622 G HA2 -0.098 3.855 3.960 -0.011 0.000 0.220 622 G HA3 -0.098 3.855 3.960 -0.011 0.000 0.220 622 G C 0.397 175.303 174.900 0.010 0.000 1.125 622 G CA 0.969 46.063 45.100 -0.008 0.000 0.755 622 G HN 0.220 nan 8.290 nan 0.000 0.565 623 L N -1.677 119.567 121.223 0.034 0.000 2.376 623 L HA 0.378 4.712 4.340 -0.011 0.000 0.258 623 L C -1.940 174.962 176.870 0.053 0.000 1.013 623 L CA -2.201 52.664 54.840 0.041 0.000 0.822 623 L CB 2.502 44.591 42.059 0.051 0.000 1.388 623 L HN -0.281 nan 8.230 nan 0.000 0.413 624 P HA -0.153 nan 4.420 nan 0.000 0.216 624 P C 1.062 178.399 177.300 0.062 0.000 1.150 624 P CA 0.983 64.122 63.100 0.064 0.000 0.837 624 P CB 0.448 32.183 31.700 0.058 0.000 0.786 625 E N -0.487 119.741 120.200 0.047 0.000 2.107 625 E HA -0.096 4.248 4.350 -0.011 0.000 0.191 625 E C 1.877 178.487 176.600 0.016 0.000 0.982 625 E CA 0.855 57.275 56.400 0.032 0.000 0.809 625 E CB -1.024 28.690 29.700 0.023 0.000 0.756 625 E HN 0.168 nan 8.360 nan 0.000 0.459 626 I N -0.048 120.531 120.570 0.015 0.000 2.226 626 I HA -0.268 3.895 4.170 -0.011 0.000 0.245 626 I C 2.114 178.200 176.117 -0.052 0.000 1.100 626 I CA 1.387 62.675 61.300 -0.020 0.000 1.374 626 I CB -0.461 37.535 38.000 -0.006 0.000 1.057 626 I HN 0.088 nan 8.210 nan 0.000 0.413 627 T N 0.620 115.187 114.554 0.020 0.000 2.699 627 T HA -0.157 4.186 4.350 -0.011 0.000 0.268 627 T C 2.017 176.742 174.700 0.043 0.000 1.036 627 T CA 1.474 63.627 62.100 0.089 0.000 1.147 627 T CB -0.333 68.658 68.868 0.205 0.000 0.862 627 T HN 0.124 nan 8.240 nan 0.000 0.446 628 V N 1.091 121.039 119.914 0.057 0.000 2.407 628 V HA -0.170 3.943 4.120 -0.011 0.000 0.248 628 V C 2.665 178.761 176.094 0.002 0.000 1.055 628 V CA 1.913 64.259 62.300 0.076 0.000 1.049 628 V CB -0.816 31.067 31.823 0.100 0.000 0.662 628 V HN 0.497 nan 8.190 nan 0.000 0.455 629 S N -0.153 115.523 115.700 -0.041 0.000 2.343 629 S HA -0.216 4.248 4.470 -0.011 0.000 0.219 629 S C 2.288 176.788 174.600 -0.167 0.000 1.033 629 S CA 2.152 60.303 58.200 -0.081 0.000 1.014 629 S CB -0.357 62.794 63.200 -0.080 0.000 0.915 629 S HN 0.635 nan 8.310 nan 0.000 0.435 630 S N 1.812 117.356 115.700 -0.260 0.000 2.359 630 S HA -0.069 4.394 4.470 -0.011 0.000 0.223 630 S C 1.865 176.153 174.600 -0.521 0.000 1.039 630 S CA 1.688 59.596 58.200 -0.485 0.000 1.042 630 S CB -0.680 62.134 63.200 -0.643 0.000 0.915 630 S HN 0.474 nan 8.310 nan 0.000 0.439 631 L N 0.957 121.995 121.223 -0.308 0.000 2.093 631 L HA -0.075 4.259 4.340 -0.011 0.000 0.208 631 L C 2.585 179.275 176.870 -0.301 0.000 1.085 631 L CA 0.914 55.539 54.840 -0.359 0.000 0.755 631 L CB -0.628 41.006 42.059 -0.708 0.000 0.904 631 L HN 0.277 nan 8.230 nan 0.000 0.435 632 S N 0.116 115.726 115.700 -0.150 0.000 2.368 632 S HA -0.116 4.348 4.470 -0.011 0.000 0.224 632 S C 1.987 176.616 174.600 0.049 0.000 1.029 632 S CA 1.075 59.306 58.200 0.053 0.000 0.988 632 S CB -0.216 63.035 63.200 0.084 0.000 0.838 632 S HN 0.255 nan 8.310 nan 0.000 0.462 633 L N -0.005 121.198 121.223 -0.034 0.000 1.989 633 L HA -0.180 4.153 4.340 -0.011 0.000 0.211 633 L C 2.257 179.239 176.870 0.187 0.000 1.071 633 L CA 1.683 56.545 54.840 0.036 0.000 0.749 633 L CB -0.696 41.312 42.059 -0.085 0.000 0.890 633 L HN 0.406 nan 8.230 nan 0.000 0.431 634 Y N -0.225 120.101 120.300 0.042 0.000 2.114 634 Y HA -0.336 4.208 4.550 -0.010 0.000 0.282 634 Y C 2.861 178.785 175.900 0.040 0.000 1.165 634 Y CA 1.279 59.392 58.100 0.020 0.000 1.148 634 Y CB -0.643 37.801 38.460 -0.027 0.000 0.972 634 Y HN 0.223 nan 8.280 nan 0.000 0.504 635 T N -0.558 114.130 114.554 0.223 0.000 2.720 635 T HA -0.211 4.133 4.350 -0.011 0.000 0.268 635 T C 2.048 176.855 174.700 0.180 0.000 1.037 635 T CA 1.350 63.569 62.100 0.198 0.000 1.144 635 T CB -0.898 68.124 68.868 0.257 0.000 0.864 635 T HN 0.632 nan 8.240 nan 0.000 0.444 636 G N 1.021 109.942 108.800 0.201 0.000 2.418 636 G HA2 -0.031 3.922 3.960 -0.011 0.000 0.217 636 G HA3 -0.031 3.922 3.960 -0.011 0.000 0.217 636 G C 1.855 176.839 174.900 0.140 0.000 1.158 636 G CA 0.920 46.144 45.100 0.206 0.000 0.771 636 G HN 0.582 nan 8.290 nan 0.000 0.545 637 A N 1.193 124.050 122.820 0.061 0.000 1.892 637 A HA -0.080 4.234 4.320 -0.011 0.000 0.218 637 A C 2.338 179.891 177.584 -0.053 0.000 1.188 637 A CA 1.823 53.751 52.037 -0.181 0.000 0.631 637 A CB -0.366 18.541 19.000 -0.155 0.000 0.822 637 A HN 0.276 nan 8.150 nan 0.000 0.447 638 I N -0.607 119.977 120.570 0.023 0.000 2.099 638 I HA -0.211 3.953 4.170 -0.011 0.000 0.239 638 I C 2.395 178.540 176.117 0.047 0.000 1.066 638 I CA 1.091 62.412 61.300 0.034 0.000 1.324 638 I CB -1.806 36.229 38.000 0.059 0.000 1.037 638 I HN 0.179 nan 8.210 nan 0.000 0.401 639 L N 0.579 121.844 121.223 0.071 0.000 1.990 639 L HA -0.218 4.115 4.340 -0.011 0.000 0.213 639 L C 2.651 179.559 176.870 0.062 0.000 1.072 639 L CA 1.798 56.684 54.840 0.077 0.000 0.755 639 L CB -1.040 41.077 42.059 0.096 0.000 0.889 639 L HN 0.354 nan 8.230 nan 0.000 0.432 640 E N -1.164 119.068 120.200 0.054 0.000 2.051 640 E HA -0.217 4.127 4.350 -0.011 0.000 0.192 640 E C 2.180 178.801 176.600 0.036 0.000 0.991 640 E CA 1.041 57.470 56.400 0.049 0.000 0.799 640 E CB -0.058 29.671 29.700 0.048 0.000 0.748 640 E HN 0.486 nan 8.360 nan 0.000 0.449 641 A N 1.131 123.959 122.820 0.014 0.000 1.940 641 A HA -0.211 4.102 4.320 -0.011 0.000 0.219 641 A C 1.819 179.429 177.584 0.043 0.000 1.176 641 A CA 1.731 53.782 52.037 0.023 0.000 0.631 641 A CB -0.482 18.520 19.000 0.003 0.000 0.814 641 A HN 0.227 nan 8.150 nan 0.000 0.446 642 N N -0.511 118.215 118.700 0.043 0.000 2.333 642 N HA 0.058 4.792 4.740 -0.011 0.000 0.178 642 N C 1.441 176.981 175.510 0.050 0.000 1.018 642 N CA 0.979 54.057 53.050 0.047 0.000 0.882 642 N CB -0.230 38.286 38.487 0.048 0.000 0.984 642 N HN 0.487 nan 8.380 nan 0.000 0.434 643 L N -0.471 120.783 121.223 0.053 0.000 2.354 643 L HA 0.232 4.566 4.340 -0.011 0.000 0.212 643 L C 0.128 177.031 176.870 0.056 0.000 1.091 643 L CA 0.441 55.312 54.840 0.053 0.000 0.828 643 L CB 0.213 42.306 42.059 0.056 0.000 0.973 643 L HN -0.041 nan 8.230 nan 0.000 0.461 644 L N 1.498 122.757 121.223 0.060 0.000 2.502 644 L HA 0.384 4.718 4.340 -0.011 0.000 0.247 644 L C -2.400 174.515 176.870 0.076 0.000 1.180 644 L CA -1.692 53.188 54.840 0.067 0.000 0.956 644 L CB 0.424 42.524 42.059 0.069 0.000 1.282 644 L HN -0.138 nan 8.230 nan 0.000 0.470 645 P HA 0.255 nan 4.420 nan 0.000 0.272 645 P C -2.369 175.008 177.300 0.128 0.000 1.230 645 P CA -1.075 62.085 63.100 0.100 0.000 0.788 645 P CB -0.225 31.532 31.700 0.095 0.000 0.949 646 P HA 0.245 nan 4.420 nan 0.000 0.274 646 P C -2.379 175.060 177.300 0.232 0.000 1.246 646 P CA -1.368 61.865 63.100 0.222 0.000 0.795 646 P CB -0.875 30.997 31.700 0.286 0.000 1.006 647 P HA 0.267 nan 4.420 nan 0.000 0.276 647 P C -0.381 177.049 177.300 0.218 0.000 1.252 647 P CA -0.144 63.073 63.100 0.195 0.000 0.802 647 P CB 0.761 32.574 31.700 0.188 0.000 1.035 648 E N 1.518 121.788 120.200 0.116 0.000 2.331 648 E HA 0.266 4.609 4.350 -0.011 0.000 0.272 648 E C -1.887 174.661 176.600 -0.088 0.000 1.036 648 E CA -1.875 54.579 56.400 0.090 0.000 0.864 648 E CB -0.073 29.659 29.700 0.054 0.000 1.035 648 E HN 0.348 nan 8.360 nan 0.000 0.408 649 P HA 0.000 nan 4.420 nan 0.000 0.269 649 P C -0.969 175.992 177.300 -0.565 0.000 1.209 649 P CA 0.007 62.736 63.100 -0.619 0.000 0.776 649 P CB 0.494 31.610 31.700 -0.974 0.000 0.876 650 K N 1.790 121.587 120.400 -1.005 0.000 2.412 650 K HA -0.031 4.282 4.320 -0.011 0.000 0.281 650 K C 1.465 177.651 176.600 -0.691 0.000 1.027 650 K CA 0.003 55.641 56.287 -1.081 0.000 0.989 650 K CB 0.218 31.514 32.500 -2.006 0.000 0.935 650 K HN 0.438 nan 8.250 nan 0.000 0.475 651 E N 1.612 121.562 120.200 -0.418 0.000 2.147 651 E HA -0.278 4.065 4.350 -0.011 0.000 0.199 651 E C 1.421 177.899 176.600 -0.204 0.000 1.005 651 E CA 2.074 58.332 56.400 -0.236 0.000 0.810 651 E CB 0.092 29.697 29.700 -0.158 0.000 0.736 651 E HN 0.775 nan 8.360 nan 0.000 0.460 652 S N -0.262 115.279 115.700 -0.265 0.000 2.400 652 S HA -0.173 4.290 4.470 -0.011 0.000 0.232 652 S C 1.660 176.256 174.600 -0.006 0.000 1.025 652 S CA 0.981 59.104 58.200 -0.128 0.000 0.993 652 S CB -0.681 62.451 63.200 -0.113 0.000 0.808 652 S HN 0.362 nan 8.310 nan 0.000 0.478 653 W N 2.678 123.822 121.300 -0.259 0.000 2.335 653 W HA 0.070 4.724 4.660 -0.011 0.000 0.311 653 W C 2.746 179.060 176.519 -0.343 0.000 1.213 653 W CA 0.473 57.609 57.345 -0.348 0.000 1.274 653 W CB -1.148 27.965 29.460 -0.578 0.000 1.148 653 W HN 0.401 nan 8.180 nan 0.000 0.498 654 R N 0.237 120.689 120.500 -0.081 0.000 2.103 654 R HA -0.175 4.159 4.340 -0.011 0.000 0.242 654 R C 2.100 178.415 176.300 0.024 0.000 1.142 654 R CA 1.849 57.945 56.100 -0.007 0.000 0.960 654 R CB -0.725 29.671 30.300 0.160 0.000 0.858 654 R HN 0.237 nan 8.270 nan 0.000 0.439 655 R N 0.287 120.797 120.500 0.016 0.000 2.153 655 R HA 0.071 4.405 4.340 -0.011 0.000 0.218 655 R C 2.241 178.539 176.300 -0.004 0.000 1.072 655 R CA 0.732 56.851 56.100 0.031 0.000 0.990 655 R CB -0.104 30.210 30.300 0.023 0.000 0.889 655 R HN 0.212 nan 8.270 nan 0.000 0.452 656 I N 0.372 120.917 120.570 -0.041 0.000 2.353 656 I HA -0.192 3.972 4.170 -0.011 0.000 0.248 656 I C 2.071 178.113 176.117 -0.125 0.000 1.119 656 I CA 1.132 62.392 61.300 -0.068 0.000 1.417 656 I CB -0.347 37.594 38.000 -0.098 0.000 1.078 656 I HN 0.190 nan 8.210 nan 0.000 0.421 657 M N 0.267 119.702 119.600 -0.276 0.000 2.132 657 M HA -0.151 4.323 4.480 -0.011 0.000 0.263 657 M C 1.868 177.988 176.300 -0.301 0.000 1.065 657 M CA 1.511 56.486 55.300 -0.540 0.000 1.122 657 M CB -1.194 30.484 32.600 -1.535 0.000 1.365 657 M HN 0.181 nan 8.290 nan 0.000 0.411 658 D N 0.311 120.709 120.400 -0.004 0.000 2.106 658 D HA -0.212 4.422 4.640 -0.011 0.000 0.191 658 D C 1.923 178.315 176.300 0.153 0.000 0.997 658 D CA 1.359 55.516 54.000 0.261 0.000 0.834 658 D CB -0.241 40.704 40.800 0.241 0.000 0.956 658 D HN 0.488 nan 8.370 nan 0.000 0.448 659 E N 0.276 120.524 120.200 0.080 0.000 2.085 659 E HA -0.149 4.194 4.350 -0.011 0.000 0.194 659 E C 2.503 179.146 176.600 0.072 0.000 0.994 659 E CA 0.488 56.928 56.400 0.068 0.000 0.801 659 E CB -0.070 29.655 29.700 0.042 0.000 0.743 659 E HN 0.208 nan 8.360 nan 0.000 0.453 660 L N 0.205 121.460 121.223 0.054 0.000 2.017 660 L HA -0.206 4.128 4.340 -0.011 0.000 0.208 660 L C 2.796 179.732 176.870 0.109 0.000 1.073 660 L CA 1.361 56.245 54.840 0.074 0.000 0.745 660 L CB -0.538 41.560 42.059 0.066 0.000 0.894 660 L HN 0.180 nan 8.230 nan 0.000 0.432 661 S N -0.342 115.443 115.700 0.141 0.000 2.370 661 S HA -0.184 4.279 4.470 -0.011 0.000 0.226 661 S C 1.998 176.691 174.600 0.155 0.000 1.033 661 S CA 1.748 60.069 58.200 0.202 0.000 1.011 661 S CB -0.375 63.044 63.200 0.366 0.000 0.852 661 S HN 0.360 nan 8.310 nan 0.000 0.457 662 V N 0.344 120.339 119.914 0.135 0.000 2.283 662 V HA -0.016 4.098 4.120 -0.011 0.000 0.243 662 V C 2.167 178.316 176.094 0.091 0.000 1.039 662 V CA 1.853 64.217 62.300 0.106 0.000 1.016 662 V CB -1.041 30.836 31.823 0.091 0.000 0.650 662 V HN 0.559 nan 8.190 nan 0.000 0.449 663 I N 2.507 123.129 120.570 0.086 0.000 2.151 663 I HA -0.259 3.905 4.170 -0.011 0.000 0.243 663 I C 3.037 179.210 176.117 0.093 0.000 1.080 663 I CA 2.382 63.730 61.300 0.080 0.000 1.339 663 I CB -0.671 37.374 38.000 0.074 0.000 1.039 663 I HN 0.610 nan 8.210 nan 0.000 0.409 664 S N 0.064 115.825 115.700 0.101 0.000 2.356 664 S HA -0.290 4.173 4.470 -0.011 0.000 0.223 664 S C 2.276 176.947 174.600 0.119 0.000 1.032 664 S CA 1.281 59.545 58.200 0.107 0.000 1.005 664 S CB -1.359 61.898 63.200 0.094 0.000 0.867 664 S HN 0.643 nan 8.310 nan 0.000 0.449 665 C N 1.831 121.196 119.300 0.109 0.000 2.425 665 C HA -0.067 4.387 4.460 -0.011 0.000 0.277 665 C C 2.445 177.517 174.990 0.135 0.000 1.280 665 C CA 1.391 60.483 59.018 0.124 0.000 1.744 665 C CB -1.650 26.149 27.740 0.099 0.000 1.989 665 C HN 0.724 nan 8.230 nan 0.000 0.491 666 D N 0.108 120.566 120.400 0.097 0.000 2.092 666 D HA -0.136 4.498 4.640 -0.011 0.000 0.193 666 D C 2.134 178.472 176.300 0.064 0.000 0.994 666 D CA 2.057 56.096 54.000 0.065 0.000 0.828 666 D CB -0.060 40.772 40.800 0.053 0.000 0.963 666 D HN 0.351 nan 8.370 nan 0.000 0.450 667 V N -0.080 119.892 119.914 0.097 0.000 2.343 667 V HA -0.223 3.891 4.120 -0.011 0.000 0.247 667 V C 2.092 178.285 176.094 0.165 0.000 1.051 667 V CA 1.785 64.158 62.300 0.122 0.000 1.036 667 V CB -0.837 31.085 31.823 0.166 0.000 0.654 667 V HN 0.340 nan 8.190 nan 0.000 0.451 668 Y N 1.374 121.690 120.300 0.027 0.000 2.181 668 Y HA -0.207 4.336 4.550 -0.011 0.000 0.288 668 Y C 2.670 178.537 175.900 -0.055 0.000 1.146 668 Y CA 1.747 59.832 58.100 -0.025 0.000 1.164 668 Y CB -0.164 38.264 38.460 -0.053 0.000 0.982 668 Y HN 0.079 nan 8.280 nan 0.000 0.515 669 R N -0.303 120.161 120.500 -0.061 0.000 2.148 669 R HA -0.032 4.301 4.340 -0.011 0.000 0.223 669 R C 2.514 178.699 176.300 -0.192 0.000 1.088 669 R CA 0.669 56.666 56.100 -0.172 0.000 0.985 669 R CB -0.691 29.585 30.300 -0.040 0.000 0.880 669 R HN 0.532 nan 8.270 nan 0.000 0.451 670 G N 0.697 109.413 108.800 -0.139 0.000 2.514 670 G HA2 -0.300 3.653 3.960 -0.011 0.000 0.217 670 G HA3 -0.300 3.653 3.960 -0.011 0.000 0.217 670 G C 1.037 175.751 174.900 -0.310 0.000 1.198 670 G CA 0.923 45.895 45.100 -0.212 0.000 0.780 670 G HN 0.267 nan 8.290 nan 0.000 0.565 671 Y N -0.018 120.106 120.300 -0.293 0.000 2.114 671 Y HA -0.046 4.497 4.550 -0.011 0.000 0.284 671 Y C 3.161 178.643 175.900 -0.696 0.000 1.119 671 Y CA 1.057 58.913 58.100 -0.407 0.000 1.108 671 Y CB -0.663 37.523 38.460 -0.457 0.000 0.995 671 Y HN 0.024 nan 8.280 nan 0.000 0.491 672 V N 0.219 119.652 119.914 -0.801 0.000 2.295 672 V HA -0.300 3.813 4.120 -0.011 0.000 0.246 672 V C 2.154 177.998 176.094 -0.417 0.000 1.049 672 V CA 2.151 63.880 62.300 -0.952 0.000 1.024 672 V CB -0.458 30.775 31.823 -0.984 0.000 0.648 672 V HN 0.359 nan 8.190 nan 0.000 0.447 673 R N -0.610 119.710 120.500 -0.300 0.000 2.087 673 R HA 0.038 4.372 4.340 -0.011 0.000 0.213 673 R C 2.334 178.582 176.300 -0.086 0.000 1.137 673 R CA 0.931 56.942 56.100 -0.147 0.000 1.022 673 R CB -0.200 30.027 30.300 -0.122 0.000 0.920 673 R HN 0.530 nan 8.270 nan 0.000 0.451 674 E N 1.006 121.141 120.200 -0.109 0.000 2.072 674 E HA -0.083 4.261 4.350 -0.011 0.000 0.190 674 E C 0.553 177.122 176.600 -0.052 0.000 0.982 674 E CA 0.267 56.622 56.400 -0.076 0.000 0.803 674 E CB -0.063 29.580 29.700 -0.095 0.000 0.755 674 E HN 0.107 nan 8.360 nan 0.000 0.453 675 N N 1.531 120.193 118.700 -0.063 0.000 2.447 675 N HA -0.074 4.660 4.740 -0.011 0.000 0.263 675 N C 0.218 175.789 175.510 0.102 0.000 1.226 675 N CA 0.230 53.283 53.050 0.005 0.000 0.906 675 N CB 0.817 39.325 38.487 0.034 0.000 1.060 675 N HN 0.003 nan 8.380 nan 0.000 0.468 676 K N 2.288 122.737 120.400 0.082 0.000 2.211 676 K HA -0.027 4.287 4.320 -0.011 0.000 0.203 676 K C 0.647 177.332 176.600 0.143 0.000 1.050 676 K CA 1.127 57.472 56.287 0.097 0.000 0.945 676 K CB 0.301 32.837 32.500 0.060 0.000 0.732 676 K HN 0.429 nan 8.250 nan 0.000 0.451 677 D N -0.086 120.416 120.400 0.170 0.000 2.333 677 D HA 0.003 4.637 4.640 -0.011 0.000 0.208 677 D C 1.305 177.782 176.300 0.296 0.000 0.984 677 D CA 0.172 54.291 54.000 0.198 0.000 0.873 677 D CB -0.105 40.791 40.800 0.161 0.000 0.935 677 D HN 0.053 nan 8.370 nan 0.000 0.521 678 F N 1.839 121.917 119.950 0.212 0.000 2.025 678 F HA -0.314 4.207 4.527 -0.011 0.000 0.297 678 F C 2.258 178.293 175.800 0.391 0.000 1.132 678 F CA 1.436 59.623 58.000 0.312 0.000 1.191 678 F CB -0.497 38.646 39.000 0.240 0.000 0.963 678 F HN -0.211 nan 8.300 nan 0.000 0.481 679 V N 1.185 121.318 119.914 0.365 0.000 2.250 679 V HA -0.301 3.813 4.120 -0.011 0.000 0.250 679 V C -0.347 175.859 176.094 0.187 0.000 1.060 679 V CA 2.671 65.145 62.300 0.290 0.000 1.030 679 V CB -2.184 29.805 31.823 0.276 0.000 0.643 679 V HN 0.263 nan 8.190 nan 0.000 0.445 680 P HA -0.197 nan 4.420 nan 0.000 0.216 680 P C 1.541 178.897 177.300 0.093 0.000 1.150 680 P CA 1.624 64.784 63.100 0.100 0.000 0.837 680 P CB -0.143 31.623 31.700 0.110 0.000 0.786 681 Y N -0.250 120.066 120.300 0.028 0.000 2.089 681 Y HA -0.214 4.330 4.550 -0.011 0.000 0.282 681 Y C 2.292 178.179 175.900 -0.022 0.000 1.139 681 Y CA 1.327 59.442 58.100 0.026 0.000 1.123 681 Y CB -1.355 37.137 38.460 0.053 0.000 0.980 681 Y HN -0.182 nan 8.280 nan 0.000 0.493 682 F N 1.598 121.371 119.950 -0.295 0.000 2.063 682 F HA -0.313 4.208 4.527 -0.011 0.000 0.298 682 F C 2.295 177.842 175.800 -0.422 0.000 1.105 682 F CA 2.366 60.097 58.000 -0.448 0.000 1.215 682 F CB -0.785 38.044 39.000 -0.284 0.000 0.972 682 F HN 0.044 nan 8.300 nan 0.000 0.483 683 R N -0.647 119.598 120.500 -0.424 0.000 2.152 683 R HA -0.091 4.243 4.340 -0.011 0.000 0.232 683 R C 2.460 178.534 176.300 -0.377 0.000 1.117 683 R CA 1.271 57.077 56.100 -0.489 0.000 0.981 683 R CB -0.494 29.662 30.300 -0.241 0.000 0.870 683 R HN 0.256 nan 8.270 nan 0.000 0.451 684 S N 0.246 115.758 115.700 -0.313 0.000 2.387 684 S HA 0.042 4.505 4.470 -0.011 0.000 0.221 684 S C 1.948 176.378 174.600 -0.283 0.000 1.041 684 S CA 0.816 58.870 58.200 -0.244 0.000 0.959 684 S CB 0.135 63.229 63.200 -0.176 0.000 0.843 684 S HN 0.437 nan 8.310 nan 0.000 0.488 685 A N 1.059 123.614 122.820 -0.440 0.000 2.015 685 A HA 0.066 4.379 4.320 -0.011 0.000 0.219 685 A C 1.418 178.837 177.584 -0.275 0.000 1.163 685 A CA 1.469 53.268 52.037 -0.396 0.000 0.646 685 A CB -0.592 17.951 19.000 -0.761 0.000 0.806 685 A HN 0.571 nan 8.150 nan 0.000 0.448 686 T N -3.897 110.388 114.554 -0.447 0.000 2.932 686 T HA 0.561 4.905 4.350 -0.011 0.000 0.289 686 T C -2.759 171.762 174.700 -0.298 0.000 1.039 686 T CA -1.930 59.927 62.100 -0.405 0.000 1.024 686 T CB 2.273 70.707 68.868 -0.723 0.000 1.090 686 T HN -0.002 nan 8.240 nan 0.000 0.496 687 P HA 0.175 nan 4.420 nan 0.000 0.244 687 P C 0.809 178.016 177.300 -0.154 0.000 1.632 687 P CA -0.178 62.853 63.100 -0.114 0.000 0.944 687 P CB 0.250 31.947 31.700 -0.005 0.000 1.569 688 E N 1.350 121.375 120.200 -0.292 0.000 2.058 688 E HA -0.246 4.097 4.350 -0.011 0.000 0.194 688 E C 1.637 178.134 176.600 -0.171 0.000 0.997 688 E CA 1.670 57.910 56.400 -0.267 0.000 0.801 688 E CB -0.135 29.179 29.700 -0.643 0.000 0.746 688 E HN 0.127 nan 8.360 nan 0.000 0.450 689 Q N 0.496 120.174 119.800 -0.204 0.000 2.084 689 Q HA -0.167 4.167 4.340 -0.011 0.000 0.202 689 Q C 2.052 178.004 176.000 -0.080 0.000 0.978 689 Q CA 2.251 57.977 55.803 -0.127 0.000 0.844 689 Q CB -0.055 28.602 28.738 -0.136 0.000 0.898 689 Q HN 0.406 nan 8.270 nan 0.000 0.426 690 E N -0.356 119.797 120.200 -0.079 0.000 2.106 690 E HA -0.184 4.160 4.350 -0.011 0.000 0.192 690 E C 1.820 178.404 176.600 -0.027 0.000 0.984 690 E CA 0.756 57.127 56.400 -0.049 0.000 0.806 690 E CB -0.421 29.251 29.700 -0.046 0.000 0.750 690 E HN 0.270 nan 8.360 nan 0.000 0.458 691 L N 1.460 122.672 121.223 -0.020 0.000 2.187 691 L HA -0.047 4.287 4.340 -0.011 0.000 0.213 691 L C 2.311 179.177 176.870 -0.005 0.000 1.100 691 L CA 1.865 56.709 54.840 0.007 0.000 0.765 691 L CB -0.878 41.201 42.059 0.033 0.000 0.904 691 L HN 0.265 nan 8.230 nan 0.000 0.437 692 G N -1.498 107.293 108.800 -0.015 0.000 2.408 692 G HA2 -0.140 3.813 3.960 -0.011 0.000 0.213 692 G HA3 -0.140 3.813 3.960 -0.011 0.000 0.213 692 G C 1.681 176.568 174.900 -0.020 0.000 1.177 692 G CA 0.206 45.296 45.100 -0.015 0.000 0.802 692 G HN 0.308 nan 8.290 nan 0.000 0.533 693 K N 0.117 120.502 120.400 -0.025 0.000 1.984 693 K HA 0.108 4.422 4.320 -0.011 0.000 0.209 693 K C 1.048 177.635 176.600 -0.022 0.000 1.046 693 K CA 0.108 56.380 56.287 -0.025 0.000 0.934 693 K CB -0.519 31.963 32.500 -0.030 0.000 0.717 693 K HN 0.201 nan 8.250 nan 0.000 0.438 694 L N 2.908 124.119 121.223 -0.019 0.000 2.517 694 L HA -0.028 4.305 4.340 -0.011 0.000 0.294 694 L C -1.775 175.084 176.870 -0.018 0.000 1.264 694 L CA -1.038 53.793 54.840 -0.015 0.000 0.839 694 L CB -0.342 41.713 42.059 -0.007 0.000 1.098 694 L HN 0.091 nan 8.230 nan 0.000 0.525 695 P HA 0.116 nan 4.420 nan 0.000 0.218 695 P C 0.545 177.826 177.300 -0.032 0.000 1.793 695 P CA 0.138 63.222 63.100 -0.026 0.000 0.941 695 P CB 0.168 31.853 31.700 -0.026 0.000 1.919 696 L N -0.435 120.769 121.223 -0.030 0.000 2.116 696 L HA 0.215 4.549 4.340 -0.011 0.000 0.200 696 L C 1.687 178.522 176.870 -0.060 0.000 1.084 696 L CA 1.160 55.978 54.840 -0.036 0.000 0.766 696 L CB -0.841 41.209 42.059 -0.015 0.000 0.930 696 L HN 0.207 nan 8.230 nan 0.000 0.453 697 G N -1.413 107.350 108.800 -0.062 0.000 2.705 697 G HA2 0.282 4.236 3.960 -0.011 0.000 0.299 697 G HA3 0.282 4.236 3.960 -0.011 0.000 0.299 697 G C 0.675 175.537 174.900 -0.063 0.000 1.315 697 G CA 0.335 45.389 45.100 -0.076 0.000 1.045 697 G HN 0.185 nan 8.290 nan 0.000 0.517 698 S N -1.025 114.638 115.700 -0.062 0.000 2.489 698 S HA 0.044 4.508 4.470 -0.011 0.000 0.228 698 S C 1.046 175.623 174.600 -0.038 0.000 0.995 698 S CA -0.057 58.113 58.200 -0.049 0.000 0.934 698 S CB -0.141 63.031 63.200 -0.047 0.000 0.771 698 S HN 0.492 nan 8.310 nan 0.000 0.522 699 R N 2.776 123.255 120.500 -0.036 0.000 2.679 699 R HA 0.249 4.583 4.340 -0.011 0.000 0.268 699 R C -2.471 173.812 176.300 -0.028 0.000 1.044 699 R CA -1.446 54.637 56.100 -0.028 0.000 1.105 699 R CB -0.645 29.640 30.300 -0.024 0.000 0.989 699 R HN 0.328 nan 8.270 nan 0.000 0.447 700 P HA -0.041 nan 4.420 nan 0.000 0.268 700 P C -0.567 176.721 177.300 -0.021 0.000 1.208 700 P CA -0.053 63.034 63.100 -0.023 0.000 0.777 700 P CB 0.417 32.104 31.700 -0.022 0.000 0.875 701 A N 1.231 124.039 122.820 -0.021 0.000 2.561 701 A HA 0.428 4.742 4.320 -0.011 0.000 0.251 701 A C 0.703 178.277 177.584 -0.016 0.000 1.062 701 A CA 1.090 53.116 52.037 -0.020 0.000 0.761 701 A CB -1.277 17.710 19.000 -0.020 0.000 0.986 701 A HN 0.911 nan 8.150 nan 0.000 0.510 710 E N 1.909 122.043 120.200 -0.111 0.000 2.158 710 E HA 0.011 4.355 4.350 -0.011 0.000 0.191 710 E C 2.372 178.941 176.600 -0.051 0.000 0.982 710 E CA 1.354 57.701 56.400 -0.090 0.000 0.823 710 E CB -0.045 29.620 29.700 -0.058 0.000 0.766 710 E HN 0.753 nan 8.360 nan 0.000 0.468 711 S N 1.839 117.526 115.700 -0.021 0.000 2.353 711 S HA -0.117 4.347 4.470 -0.011 0.000 0.222 711 S C 1.250 175.859 174.600 0.015 0.000 1.035 711 S CA 0.862 59.065 58.200 0.005 0.000 1.025 711 S CB -0.323 62.894 63.200 0.028 0.000 0.902 711 S HN -0.065 nan 8.310 nan 0.000 0.440 712 L N 1.217 122.458 121.223 0.031 0.000 2.477 712 L HA 0.146 4.479 4.340 -0.011 0.000 0.289 712 L C 0.829 177.730 176.870 0.052 0.000 1.279 712 L CA 0.637 55.521 54.840 0.073 0.000 0.825 712 L CB 0.135 42.259 42.059 0.109 0.000 1.085 712 L HN 0.444 nan 8.230 nan 0.000 0.548 713 R N 0.411 120.976 120.500 0.108 0.000 2.873 713 R HA 0.555 4.889 4.340 -0.011 0.000 0.264 713 R C 0.917 177.324 176.300 0.179 0.000 1.026 713 R CA -0.272 55.888 56.100 0.101 0.000 1.002 713 R CB 1.082 31.431 30.300 0.083 0.000 1.174 713 R HN 0.731 nan 8.270 nan 0.000 0.488 714 A N 2.271 125.193 122.820 0.169 0.000 1.869 714 A HA -0.223 4.090 4.320 -0.011 0.000 0.218 714 A C 1.937 179.714 177.584 0.321 0.000 1.203 714 A CA 1.687 53.880 52.037 0.260 0.000 0.638 714 A CB -0.704 18.411 19.000 0.192 0.000 0.831 714 A HN 0.611 nan 8.150 nan 0.000 0.450 715 I N 0.583 121.278 120.570 0.209 0.000 2.065 715 I HA -0.231 3.933 4.170 -0.011 0.000 0.236 715 I C -0.277 175.966 176.117 0.210 0.000 1.028 715 I CA 2.247 63.629 61.300 0.135 0.000 1.299 715 I CB -2.895 35.047 38.000 -0.098 0.000 1.015 715 I HN 0.245 nan 8.210 nan 0.000 0.396 716 P HA -0.208 nan 4.420 nan 0.000 0.219 716 P C 1.948 179.527 177.300 0.465 0.000 1.146 716 P CA 1.647 64.897 63.100 0.251 0.000 0.808 716 P CB -0.359 31.451 31.700 0.183 0.000 0.779 717 W N 0.790 122.257 121.300 0.279 0.000 2.380 717 W HA -0.129 4.525 4.660 -0.010 0.000 0.317 717 W C 1.906 178.686 176.519 0.434 0.000 1.196 717 W CA 0.618 58.177 57.345 0.355 0.000 1.307 717 W CB -0.604 29.009 29.460 0.255 0.000 1.157 717 W HN -0.205 nan 8.180 nan 0.000 0.483 718 I N 0.179 120.985 120.570 0.392 0.000 2.127 718 I HA -0.352 3.812 4.170 -0.011 0.000 0.241 718 I C 2.351 178.641 176.117 0.288 0.000 1.075 718 I CA 1.609 63.059 61.300 0.249 0.000 1.334 718 I CB -0.979 37.200 38.000 0.297 0.000 1.040 718 I HN -0.126 nan 8.210 nan 0.000 0.405 719 F N 0.974 121.006 119.950 0.136 0.000 2.126 719 F HA -0.254 4.267 4.527 -0.010 0.000 0.299 719 F C 2.583 178.432 175.800 0.082 0.000 1.096 719 F CA 1.432 59.496 58.000 0.106 0.000 1.255 719 F CB -1.072 37.991 39.000 0.105 0.000 0.997 719 F HN 0.020 nan 8.300 nan 0.000 0.479 720 A N -1.130 121.846 122.820 0.260 0.000 1.902 720 A HA -0.224 4.089 4.320 -0.011 0.000 0.217 720 A C 2.075 179.629 177.584 -0.051 0.000 1.181 720 A CA 1.607 53.679 52.037 0.057 0.000 0.623 720 A CB -1.477 17.545 19.000 0.036 0.000 0.818 720 A HN 0.559 nan 8.150 nan 0.000 0.443 721 W N -0.097 121.220 121.300 0.029 0.000 2.518 721 W HA -0.014 4.639 4.660 -0.011 0.000 0.273 721 W C 2.451 178.925 176.519 -0.075 0.000 1.247 721 W CA 1.259 58.564 57.345 -0.067 0.000 1.288 721 W CB -0.333 28.990 29.460 -0.228 0.000 1.107 721 W HN 0.225 nan 8.180 nan 0.000 0.586 722 T N 0.033 114.652 114.554 0.108 0.000 2.821 722 T HA -0.205 4.139 4.350 -0.011 0.000 0.267 722 T C 1.759 176.447 174.700 -0.021 0.000 1.046 722 T CA 1.187 63.289 62.100 0.004 0.000 1.139 722 T CB -0.248 68.545 68.868 -0.125 0.000 0.871 722 T HN 0.114 nan 8.240 nan 0.000 0.454 723 Q N 0.977 120.770 119.800 -0.012 0.000 2.167 723 Q HA -0.030 4.303 4.340 -0.011 0.000 0.202 723 Q C 2.124 178.050 176.000 -0.124 0.000 0.970 723 Q CA 0.844 56.646 55.803 -0.001 0.000 0.855 723 Q CB -0.467 28.308 28.738 0.062 0.000 0.911 723 Q HN 0.640 nan 8.270 nan 0.000 0.438 724 N N 0.045 118.601 118.700 -0.240 0.000 2.409 724 N HA -0.120 4.614 4.740 -0.011 0.000 0.179 724 N C 0.056 175.312 175.510 -0.423 0.000 1.032 724 N CA 0.196 52.884 53.050 -0.603 0.000 0.898 724 N CB 0.259 38.592 38.487 -0.256 0.000 0.971 724 N HN 0.008 nan 8.380 nan 0.000 0.441 725 R N -1.255 119.165 120.500 -0.134 0.000 3.489 725 R HA -0.149 4.184 4.340 -0.011 0.000 0.489 725 R C 1.029 177.367 176.300 0.063 0.000 0.770 725 R CA 0.582 56.659 56.100 -0.040 0.000 1.404 725 R CB -2.134 28.122 30.300 -0.072 0.000 2.091 725 R HN 0.314 nan 8.270 nan 0.000 0.456 726 L N 1.218 122.539 121.223 0.163 0.000 2.156 726 L HA 0.149 4.482 4.340 -0.011 0.000 0.208 726 L C 1.102 178.200 176.870 0.381 0.000 1.095 726 L CA 2.145 57.149 54.840 0.273 0.000 0.770 726 L CB -0.154 42.123 42.059 0.364 0.000 0.914 726 L HN 0.336 nan 8.230 nan 0.000 0.439 727 M N -1.854 117.916 119.600 0.283 0.000 2.818 727 M HA -0.237 4.237 4.480 -0.011 0.000 0.194 727 M C 1.323 177.635 176.300 0.019 0.000 0.586 727 M CA 0.804 56.234 55.300 0.217 0.000 0.664 727 M CB -2.800 29.953 32.600 0.254 0.000 2.418 727 M HN 0.404 nan 8.290 nan 0.000 0.517 728 L N 2.060 123.061 121.223 -0.370 0.000 2.011 728 L HA -0.133 4.201 4.340 -0.011 0.000 0.225 728 L C -0.595 175.647 176.870 -1.047 0.000 1.084 728 L CA 3.290 57.450 54.840 -1.133 0.000 0.791 728 L CB -2.415 38.695 42.059 -1.581 0.000 0.898 728 L HN 0.168 nan 8.230 nan 0.000 0.440 729 P HA -0.152 nan 4.420 nan 0.000 0.217 729 P C 1.454 178.575 177.300 -0.299 0.000 1.151 729 P CA 2.493 65.316 63.100 -0.462 0.000 0.849 729 P CB -0.306 31.121 31.700 -0.456 0.000 0.787 730 A N -1.899 120.778 122.820 -0.239 0.000 2.238 730 A HA -0.025 4.289 4.320 -0.011 0.000 0.208 730 A C 1.588 179.140 177.584 -0.053 0.000 1.177 730 A CA 0.528 52.507 52.037 -0.097 0.000 0.804 730 A CB -1.124 17.865 19.000 -0.018 0.000 0.823 730 A HN 0.443 nan 8.150 nan 0.000 0.482 731 W N -3.112 118.097 121.300 -0.152 0.000 3.864 731 W HA 0.226 4.880 4.660 -0.010 0.000 0.197 731 W C 0.968 177.469 176.519 -0.030 0.000 1.100 731 W CA 0.245 57.512 57.345 -0.129 0.000 1.557 731 W CB -0.747 28.645 29.460 -0.115 0.000 0.673 731 W HN 0.068 nan 8.180 nan 0.000 0.888 732 L N 2.004 122.824 121.223 -0.673 0.000 2.412 732 L HA -0.359 3.974 4.340 -0.011 0.000 0.242 732 L C 2.136 178.994 176.870 -0.021 0.000 1.139 732 L CA 3.312 57.826 54.840 -0.542 0.000 0.818 732 L CB -1.361 40.474 42.059 -0.373 0.000 0.998 732 L HN 0.313 nan 8.230 nan 0.000 0.421 733 G N -3.096 105.736 108.800 0.054 0.000 2.838 733 G HA2 0.195 4.148 3.960 -0.011 0.000 0.210 733 G HA3 0.195 4.148 3.960 -0.011 0.000 0.210 733 G C 1.445 176.428 174.900 0.137 0.000 1.153 733 G CA 0.743 45.919 45.100 0.128 0.000 0.778 733 G HN 0.719 nan 8.290 nan 0.000 0.539 734 A N 1.458 124.353 122.820 0.125 0.000 1.863 734 A HA -0.029 4.284 4.320 -0.011 0.000 0.218 734 A C 2.711 180.386 177.584 0.153 0.000 1.233 734 A CA 2.500 54.610 52.037 0.122 0.000 0.655 734 A CB -1.345 17.703 19.000 0.081 0.000 0.839 734 A HN 0.602 nan 8.150 nan 0.000 0.454 735 G N -1.707 107.222 108.800 0.216 0.000 2.440 735 G HA2 -0.180 3.774 3.960 -0.011 0.000 0.218 735 G HA3 -0.180 3.774 3.960 -0.011 0.000 0.218 735 G C 1.554 176.537 174.900 0.137 0.000 1.154 735 G CA 1.830 47.040 45.100 0.183 0.000 0.767 735 G HN 0.499 nan 8.290 nan 0.000 0.552 736 T N 1.744 116.391 114.554 0.154 0.000 2.684 736 T HA -0.046 4.297 4.350 -0.011 0.000 0.267 736 T C 2.796 177.557 174.700 0.102 0.000 1.036 736 T CA 1.661 63.836 62.100 0.125 0.000 1.148 736 T CB -0.421 68.535 68.868 0.146 0.000 0.863 736 T HN 0.394 nan 8.240 nan 0.000 0.436 737 A N 1.071 123.956 122.820 0.107 0.000 1.933 737 A HA 0.067 4.381 4.320 -0.011 0.000 0.218 737 A C 2.331 179.966 177.584 0.085 0.000 1.175 737 A CA 1.074 53.167 52.037 0.093 0.000 0.628 737 A CB -0.820 18.239 19.000 0.098 0.000 0.814 737 A HN 0.469 nan 8.150 nan 0.000 0.444 738 L N -0.791 120.489 121.223 0.096 0.000 2.141 738 L HA -0.213 4.120 4.340 -0.011 0.000 0.209 738 L C 2.892 179.803 176.870 0.069 0.000 1.094 738 L CA 1.672 56.568 54.840 0.093 0.000 0.763 738 L CB -0.379 41.743 42.059 0.106 0.000 0.908 738 L HN 0.642 nan 8.230 nan 0.000 0.437 739 Q N 0.626 120.462 119.800 0.061 0.000 2.119 739 Q HA -0.269 4.064 4.340 -0.011 0.000 0.201 739 Q C 2.168 178.191 176.000 0.039 0.000 0.972 739 Q CA 1.641 57.470 55.803 0.043 0.000 0.847 739 Q CB 0.133 28.894 28.738 0.038 0.000 0.903 739 Q HN 0.262 nan 8.270 nan 0.000 0.433 740 K N -0.262 120.165 120.400 0.046 0.000 2.026 740 K HA -0.106 4.208 4.320 -0.011 0.000 0.208 740 K C 1.862 178.483 176.600 0.035 0.000 1.048 740 K CA 1.439 57.750 56.287 0.040 0.000 0.929 740 K CB -0.185 32.343 32.500 0.047 0.000 0.713 740 K HN 0.104 nan 8.250 nan 0.000 0.439 741 V N 0.069 120.006 119.914 0.038 0.000 2.515 741 V HA -0.174 3.940 4.120 -0.011 0.000 0.250 741 V C 2.110 178.219 176.094 0.025 0.000 1.058 741 V CA 1.331 63.648 62.300 0.030 0.000 1.064 741 V CB 0.045 31.887 31.823 0.030 0.000 0.675 741 V HN 0.192 nan 8.190 nan 0.000 0.461 742 V N -0.204 119.727 119.914 0.028 0.000 2.358 742 V HA -0.194 3.919 4.120 -0.011 0.000 0.246 742 V C 2.191 178.296 176.094 0.018 0.000 1.047 742 V CA 1.681 63.994 62.300 0.022 0.000 1.035 742 V CB -0.452 31.384 31.823 0.023 0.000 0.658 742 V HN 0.615 nan 8.190 nan 0.000 0.452 743 E N -0.101 120.111 120.200 0.020 0.000 2.533 743 E HA -0.163 4.181 4.350 -0.011 0.000 0.203 743 E C 0.499 177.108 176.600 0.016 0.000 1.101 743 E CA 0.601 57.011 56.400 0.017 0.000 0.894 743 E CB -0.035 29.676 29.700 0.019 0.000 0.843 743 E HN 0.622 nan 8.360 nan 0.000 0.552 744 D N -0.993 119.416 120.400 0.016 0.000 2.469 744 D HA 0.113 4.746 4.640 -0.011 0.000 0.215 744 D C 0.979 177.287 176.300 0.013 0.000 1.154 744 D CA 0.394 54.403 54.000 0.015 0.000 0.832 744 D CB 1.021 41.831 40.800 0.016 0.000 1.008 744 D HN 0.197 nan 8.370 nan 0.000 0.506 745 G N 1.777 110.585 108.800 0.013 0.000 2.148 745 G HA2 -0.332 3.622 3.960 -0.011 0.000 0.254 745 G HA3 -0.332 3.622 3.960 -0.011 0.000 0.254 745 G C 0.959 175.868 174.900 0.013 0.000 0.981 745 G CA 0.207 45.315 45.100 0.012 0.000 0.670 745 G HN 0.324 nan 8.290 nan 0.000 0.528 746 K N 0.004 120.413 120.400 0.014 0.000 2.476 746 K HA 0.149 4.463 4.320 -0.011 0.000 0.196 746 K C 1.804 178.409 176.600 0.009 0.000 1.025 746 K CA 0.396 56.691 56.287 0.012 0.000 1.138 746 K CB 0.238 32.744 32.500 0.010 0.000 0.860 746 K HN 0.585 nan 8.250 nan 0.000 0.515 747 Q N 1.394 121.201 119.800 0.013 0.000 2.152 747 Q HA -0.170 4.164 4.340 -0.011 0.000 0.206 747 Q C 1.394 177.401 176.000 0.012 0.000 0.985 747 Q CA 1.976 57.788 55.803 0.015 0.000 0.863 747 Q CB 0.030 28.777 28.738 0.016 0.000 0.904 747 Q HN 0.320 nan 8.270 nan 0.000 0.422 748 S N 0.416 116.126 115.700 0.016 0.000 2.423 748 S HA -0.108 4.356 4.470 -0.011 0.000 0.231 748 S C 1.482 176.097 174.600 0.024 0.000 1.014 748 S CA 0.871 59.084 58.200 0.022 0.000 0.965 748 S CB -0.071 63.145 63.200 0.027 0.000 0.785 748 S HN 0.375 nan 8.310 nan 0.000 0.495 749 E N 1.101 121.312 120.200 0.018 0.000 2.122 749 E HA 0.119 4.463 4.350 -0.011 0.000 0.190 749 E C 2.035 178.565 176.600 -0.116 0.000 0.977 749 E CA 0.315 56.729 56.400 0.024 0.000 0.820 749 E CB -0.173 29.569 29.700 0.069 0.000 0.770 749 E HN 0.466 nan 8.360 nan 0.000 0.462 750 L N 0.971 122.131 121.223 -0.105 0.000 2.046 750 L HA -0.181 4.152 4.340 -0.011 0.000 0.208 750 L C 2.249 179.086 176.870 -0.055 0.000 1.077 750 L CA 1.245 56.000 54.840 -0.141 0.000 0.747 750 L CB -0.333 41.728 42.059 0.004 0.000 0.896 750 L HN 0.098 nan 8.230 nan 0.000 0.432 751 E N 0.010 120.203 120.200 -0.012 0.000 2.150 751 E HA -0.172 4.172 4.350 -0.011 0.000 0.193 751 E C 2.248 178.839 176.600 -0.015 0.000 0.985 751 E CA 0.990 57.397 56.400 0.013 0.000 0.814 751 E CB -0.074 29.639 29.700 0.021 0.000 0.752 751 E HN 0.497 nan 8.360 nan 0.000 0.466 752 A N 0.811 123.603 122.820 -0.048 0.000 1.929 752 A HA -0.116 4.198 4.320 -0.011 0.000 0.216 752 A C 2.098 179.530 177.584 -0.253 0.000 1.176 752 A CA 0.920 52.938 52.037 -0.032 0.000 0.628 752 A CB -0.303 18.765 19.000 0.114 0.000 0.816 752 A HN 0.110 nan 8.150 nan 0.000 0.444 753 M N -1.186 118.066 119.600 -0.579 0.000 2.117 753 M HA -0.184 4.290 4.480 -0.011 0.000 0.262 753 M C 2.420 178.621 176.300 -0.165 0.000 1.065 753 M CA 1.650 56.390 55.300 -0.934 0.000 1.114 753 M CB -0.500 31.372 32.600 -1.212 0.000 1.361 753 M HN 0.662 nan 8.290 nan 0.000 0.408 754 C N 0.655 120.010 119.300 0.093 0.000 2.432 754 C HA -0.127 4.327 4.460 -0.011 0.000 0.277 754 C C 2.780 177.806 174.990 0.061 0.000 1.249 754 C CA 1.148 60.274 59.018 0.181 0.000 1.725 754 C CB -0.798 27.023 27.740 0.135 0.000 2.028 754 C HN 0.468 nan 8.230 nan 0.000 0.477 755 R N 0.389 120.909 120.500 0.033 0.000 2.066 755 R HA -0.056 4.277 4.340 -0.011 0.000 0.232 755 R C 1.588 177.934 176.300 0.078 0.000 1.131 755 R CA 1.753 57.882 56.100 0.049 0.000 0.955 755 R CB -0.378 29.954 30.300 0.053 0.000 0.851 755 R HN 0.606 nan 8.270 nan 0.000 0.432 756 D N -1.394 119.055 120.400 0.081 0.000 2.349 756 D HA -0.035 4.598 4.640 -0.011 0.000 0.214 756 D C -0.480 175.987 176.300 0.280 0.000 1.063 756 D CA 0.311 54.420 54.000 0.181 0.000 0.847 756 D CB 0.322 41.297 40.800 0.292 0.000 0.933 756 D HN 0.132 nan 8.370 nan 0.000 0.513 757 W N 2.245 123.497 121.300 -0.080 0.000 2.338 757 W HA 0.320 4.974 4.660 -0.011 0.000 0.315 757 W C -2.249 174.332 176.519 0.105 0.000 1.005 757 W CA -3.027 54.334 57.345 0.027 0.000 1.380 757 W CB 1.385 30.728 29.460 -0.195 0.000 1.235 757 W HN -0.210 nan 8.180 nan 0.000 0.409 758 P HA -0.283 nan 4.420 nan 0.000 0.216 758 P C 1.751 178.969 177.300 -0.136 0.000 1.157 758 P CA 1.821 64.952 63.100 0.051 0.000 0.880 758 P CB -0.217 31.563 31.700 0.133 0.000 0.791 759 F N -0.684 118.986 119.950 -0.466 0.000 2.115 759 F HA -0.263 4.257 4.527 -0.011 0.000 0.300 759 F C 2.084 177.528 175.800 -0.592 0.000 1.092 759 F CA 1.557 59.209 58.000 -0.581 0.000 1.245 759 F CB -0.927 37.495 39.000 -0.964 0.000 0.995 759 F HN -0.194 nan 8.300 nan 0.000 0.481 760 F N 1.119 120.539 119.950 -0.883 0.000 2.187 760 F HA -0.062 4.459 4.527 -0.011 0.000 0.295 760 F C 2.818 178.346 175.800 -0.452 0.000 1.091 760 F CA 1.453 59.047 58.000 -0.676 0.000 1.308 760 F CB -0.902 37.865 39.000 -0.388 0.000 1.030 760 F HN 0.118 nan 8.300 nan 0.000 0.487 761 S N -1.685 113.831 115.700 -0.307 0.000 2.368 761 S HA -0.185 4.278 4.470 -0.011 0.000 0.224 761 S C 2.061 176.449 174.600 -0.353 0.000 1.029 761 S CA 1.618 59.639 58.200 -0.298 0.000 0.988 761 S CB -1.230 61.895 63.200 -0.125 0.000 0.838 761 S HN 0.370 nan 8.310 nan 0.000 0.462 762 T N 2.008 116.360 114.554 -0.338 0.000 2.720 762 T HA -0.080 4.263 4.350 -0.011 0.000 0.268 762 T C 1.941 176.384 174.700 -0.428 0.000 1.037 762 T CA 1.811 63.720 62.100 -0.319 0.000 1.144 762 T CB -0.353 68.355 68.868 -0.267 0.000 0.864 762 T HN 0.511 nan 8.240 nan 0.000 0.444 763 R N 0.708 120.823 120.500 -0.640 0.000 2.096 763 R HA 0.102 4.436 4.340 -0.011 0.000 0.235 763 R C 2.135 178.122 176.300 -0.522 0.000 1.127 763 R CA 1.375 57.099 56.100 -0.627 0.000 0.968 763 R CB -0.689 29.092 30.300 -0.864 0.000 0.861 763 R HN 0.381 nan 8.270 nan 0.000 0.440 764 L N -0.580 120.280 121.223 -0.605 0.000 2.179 764 L HA 0.124 4.457 4.340 -0.011 0.000 0.208 764 L C 2.337 179.026 176.870 -0.301 0.000 1.096 764 L CA 0.974 55.542 54.840 -0.454 0.000 0.779 764 L CB -0.653 41.121 42.059 -0.474 0.000 0.922 764 L HN 0.473 nan 8.230 nan 0.000 0.443 765 G N 0.155 108.784 108.800 -0.285 0.000 2.514 765 G HA2 -0.394 3.560 3.960 -0.011 0.000 0.217 765 G HA3 -0.394 3.560 3.960 -0.011 0.000 0.217 765 G C 1.538 176.316 174.900 -0.204 0.000 1.198 765 G CA 1.114 46.092 45.100 -0.203 0.000 0.780 765 G HN 0.228 nan 8.290 nan 0.000 0.565 766 M N -0.109 119.353 119.600 -0.230 0.000 2.192 766 M HA -0.034 4.440 4.480 -0.011 0.000 0.259 766 M C 2.032 178.173 176.300 -0.265 0.000 1.071 766 M CA 1.097 56.264 55.300 -0.222 0.000 1.082 766 M CB -0.195 32.268 32.600 -0.228 0.000 1.373 766 M HN 0.125 nan 8.290 nan 0.000 0.408 767 L N -0.158 120.866 121.223 -0.331 0.000 2.109 767 L HA -0.085 4.249 4.340 -0.011 0.000 0.207 767 L C 2.226 178.727 176.870 -0.615 0.000 1.086 767 L CA 1.623 56.123 54.840 -0.566 0.000 0.760 767 L CB -1.575 40.144 42.059 -0.567 0.000 0.910 767 L HN 0.425 nan 8.230 nan 0.000 0.437 768 E N -0.783 119.256 120.200 -0.267 0.000 2.070 768 E HA -0.294 4.050 4.350 -0.011 0.000 0.197 768 E C 2.143 178.690 176.600 -0.089 0.000 1.004 768 E CA 1.409 57.759 56.400 -0.083 0.000 0.805 768 E CB -0.162 29.505 29.700 -0.056 0.000 0.744 768 E HN 0.362 nan 8.360 nan 0.000 0.451 769 M N 0.953 120.469 119.600 -0.139 0.000 2.117 769 M HA -0.139 4.335 4.480 -0.011 0.000 0.262 769 M C 2.208 178.432 176.300 -0.126 0.000 1.065 769 M CA 1.297 56.523 55.300 -0.124 0.000 1.114 769 M CB -0.071 32.450 32.600 -0.132 0.000 1.361 769 M HN -0.005 nan 8.290 nan 0.000 0.408 770 V N 0.861 120.663 119.914 -0.188 0.000 2.358 770 V HA -0.268 3.845 4.120 -0.011 0.000 0.246 770 V C 2.220 178.262 176.094 -0.086 0.000 1.047 770 V CA 1.662 63.872 62.300 -0.151 0.000 1.035 770 V CB -1.057 30.648 31.823 -0.196 0.000 0.658 770 V HN 0.322 nan 8.190 nan 0.000 0.452 771 F N 0.992 120.866 119.950 -0.127 0.000 2.234 771 F HA -0.039 4.481 4.527 -0.010 0.000 0.299 771 F C 2.431 178.142 175.800 -0.149 0.000 1.087 771 F CA 0.767 58.648 58.000 -0.197 0.000 1.340 771 F CB -1.379 37.487 39.000 -0.223 0.000 1.031 771 F HN 0.113 nan 8.300 nan 0.000 0.500 772 A N -0.004 122.844 122.820 0.046 0.000 1.972 772 A HA -0.174 4.140 4.320 -0.011 0.000 0.219 772 A C 2.129 179.690 177.584 -0.038 0.000 1.169 772 A CA 1.535 53.563 52.037 -0.014 0.000 0.635 772 A CB -0.506 18.464 19.000 -0.050 0.000 0.810 772 A HN 0.398 nan 8.150 nan 0.000 0.446 773 K N -0.584 119.792 120.400 -0.040 0.000 2.352 773 K HA 0.387 4.701 4.320 -0.011 0.000 0.194 773 K C 0.912 177.500 176.600 -0.020 0.000 1.038 773 K CA 0.330 56.589 56.287 -0.046 0.000 1.023 773 K CB 0.033 32.495 32.500 -0.062 0.000 0.840 773 K HN 0.387 nan 8.250 nan 0.000 0.519 774 A N 2.129 124.949 122.820 0.001 0.000 2.429 774 A HA 0.034 4.348 4.320 -0.011 0.000 0.242 774 A C -0.195 177.389 177.584 0.001 0.000 1.088 774 A CA 0.348 52.395 52.037 0.018 0.000 0.784 774 A CB 0.215 19.229 19.000 0.024 0.000 1.038 774 A HN 0.212 nan 8.150 nan 0.000 0.501 775 D N 1.188 121.596 120.400 0.013 0.000 2.354 775 D HA 0.215 4.849 4.640 -0.011 0.000 0.230 775 D C 0.448 176.776 176.300 0.046 0.000 1.361 775 D CA -0.381 53.638 54.000 0.032 0.000 0.992 775 D CB 0.683 41.512 40.800 0.048 0.000 1.409 775 D HN 0.364 nan 8.370 nan 0.000 0.573 776 L N 2.197 123.444 121.223 0.039 0.000 2.275 776 L HA 0.001 4.335 4.340 -0.011 0.000 0.215 776 L C 1.957 178.864 176.870 0.061 0.000 1.119 776 L CA 0.636 55.495 54.840 0.032 0.000 0.790 776 L CB -0.079 41.977 42.059 -0.005 0.000 0.919 776 L HN 0.477 nan 8.230 nan 0.000 0.443 777 W N 0.684 121.966 121.300 -0.031 0.000 2.443 777 W HA -0.069 4.585 4.660 -0.011 0.000 0.296 777 W C 2.136 178.670 176.519 0.026 0.000 1.202 777 W CA 0.866 58.199 57.345 -0.020 0.000 1.312 777 W CB 0.005 29.436 29.460 -0.049 0.000 1.120 777 W HN -0.088 nan 8.180 nan 0.000 0.536 778 L N 0.504 121.778 121.223 0.085 0.000 2.027 778 L HA -0.156 4.177 4.340 -0.011 0.000 0.206 778 L C 2.783 179.631 176.870 -0.038 0.000 1.074 778 L CA 1.443 56.283 54.840 0.001 0.000 0.745 778 L CB -1.369 40.764 42.059 0.124 0.000 0.898 778 L HN 0.060 nan 8.230 nan 0.000 0.433 779 A N -0.354 122.425 122.820 -0.069 0.000 1.903 779 A HA -0.306 4.008 4.320 -0.011 0.000 0.219 779 A C 2.244 179.803 177.584 -0.042 0.000 1.191 779 A CA 2.143 54.140 52.037 -0.067 0.000 0.638 779 A CB -0.647 18.364 19.000 0.019 0.000 0.823 779 A HN 0.460 nan 8.150 nan 0.000 0.451 780 E N -1.938 118.192 120.200 -0.116 0.000 2.153 780 E HA -0.206 4.137 4.350 -0.011 0.000 0.194 780 E C 1.767 178.210 176.600 -0.261 0.000 0.988 780 E CA 1.279 57.562 56.400 -0.197 0.000 0.811 780 E CB -0.201 29.336 29.700 -0.272 0.000 0.746 780 E HN 0.809 nan 8.360 nan 0.000 0.466 781 Y N -0.377 119.663 120.300 -0.434 0.000 2.242 781 Y HA -0.242 4.302 4.550 -0.011 0.000 0.291 781 Y C 1.590 177.412 175.900 -0.130 0.000 1.137 781 Y CA 1.410 59.263 58.100 -0.413 0.000 1.181 781 Y CB -0.211 37.871 38.460 -0.630 0.000 0.989 781 Y HN 0.051 nan 8.280 nan 0.000 0.527 782 Y N 0.537 120.694 120.300 -0.238 0.000 2.314 782 Y HA -0.133 4.411 4.550 -0.011 0.000 0.293 782 Y C 2.085 177.846 175.900 -0.232 0.000 1.129 782 Y CA 1.307 59.257 58.100 -0.249 0.000 1.201 782 Y CB -0.776 37.612 38.460 -0.120 0.000 0.999 782 Y HN 0.200 nan 8.280 nan 0.000 0.541 783 D N -0.525 119.855 120.400 -0.034 0.000 2.097 783 D HA -0.154 4.479 4.640 -0.011 0.000 0.197 783 D C 2.048 178.287 176.300 -0.101 0.000 0.984 783 D CA 1.242 55.222 54.000 -0.032 0.000 0.826 783 D CB -0.246 40.511 40.800 -0.072 0.000 0.973 783 D HN 0.341 nan 8.370 nan 0.000 0.460 784 Q N -0.427 119.170 119.800 -0.339 0.000 2.170 784 Q HA -0.085 4.249 4.340 -0.011 0.000 0.203 784 Q C 1.833 177.742 176.000 -0.152 0.000 0.976 784 Q CA 0.933 56.536 55.803 -0.333 0.000 0.858 784 Q CB 0.259 28.741 28.738 -0.426 0.000 0.907 784 Q HN 0.109 nan 8.270 nan 0.000 0.433 785 R N -0.534 119.786 120.500 -0.300 0.000 2.146 785 R HA 0.130 4.463 4.340 -0.011 0.000 0.206 785 R C 1.916 178.130 176.300 -0.143 0.000 1.049 785 R CA 0.657 56.569 56.100 -0.313 0.000 1.029 785 R CB 0.153 30.111 30.300 -0.570 0.000 0.949 785 R HN 0.261 nan 8.270 nan 0.000 0.471 786 L N 0.206 121.367 121.223 -0.103 0.000 2.575 786 L HA 0.257 4.591 4.340 -0.011 0.000 0.228 786 L C 0.283 177.171 176.870 0.030 0.000 1.075 786 L CA 0.049 54.868 54.840 -0.036 0.000 0.867 786 L CB 0.471 42.476 42.059 -0.089 0.000 1.097 786 L HN -0.253 nan 8.230 nan 0.000 0.485 787 V N 0.345 120.333 119.914 0.123 0.000 2.472 787 V HA 0.158 4.272 4.120 -0.011 0.000 0.290 787 V C -0.421 175.828 176.094 0.257 0.000 1.037 787 V CA -0.860 61.559 62.300 0.199 0.000 0.908 787 V CB 1.854 33.844 31.823 0.279 0.000 0.985 787 V HN 0.096 nan 8.190 nan 0.000 0.454 788 D N 2.987 123.444 120.400 0.095 0.000 2.455 788 D HA 0.057 4.691 4.640 -0.011 0.000 0.241 788 D C 1.221 177.352 176.300 -0.281 0.000 1.138 788 D CA 0.181 54.150 54.000 -0.052 0.000 0.877 788 D CB 0.790 41.566 40.800 -0.041 0.000 1.187 788 D HN 0.517 nan 8.370 nan 0.000 0.451 789 K N 2.506 122.521 120.400 -0.641 0.000 2.144 789 K HA -0.283 4.030 4.320 -0.011 0.000 0.209 789 K C 1.737 177.937 176.600 -0.666 0.000 1.047 789 K CA 1.579 57.133 56.287 -1.221 0.000 0.927 789 K CB -0.191 31.763 32.500 -0.909 0.000 0.716 789 K HN 0.593 nan 8.250 nan 0.000 0.454 790 A N 0.523 123.159 122.820 -0.308 0.000 2.121 790 A HA -0.057 4.256 4.320 -0.011 0.000 0.218 790 A C 1.769 179.343 177.584 -0.016 0.000 1.154 790 A CA 0.958 52.919 52.037 -0.127 0.000 0.679 790 A CB -0.207 18.749 19.000 -0.074 0.000 0.795 790 A HN 0.201 nan 8.150 nan 0.000 0.458 791 L N -2.198 119.051 121.223 0.043 0.000 2.567 791 L HA -0.008 4.326 4.340 -0.011 0.000 0.225 791 L C 1.886 178.960 176.870 0.341 0.000 1.119 791 L CA -0.271 54.698 54.840 0.215 0.000 0.871 791 L CB -0.331 41.933 42.059 0.342 0.000 1.036 791 L HN 0.488 nan 8.230 nan 0.000 0.459 792 W N 1.324 122.692 121.300 0.114 0.000 2.321 792 W HA -0.091 4.563 4.660 -0.011 0.000 0.306 792 W C -0.217 176.333 176.519 0.050 0.000 1.217 792 W CA 0.865 58.269 57.345 0.098 0.000 1.257 792 W CB -2.349 27.152 29.460 0.067 0.000 1.145 792 W HN 0.151 nan 8.180 nan 0.000 0.509 793 P HA -0.194 nan 4.420 nan 0.000 0.216 793 P C 2.219 179.571 177.300 0.087 0.000 1.153 793 P CA 1.597 64.788 63.100 0.152 0.000 0.858 793 P CB -0.335 31.432 31.700 0.111 0.000 0.789 794 L N -0.930 120.311 121.223 0.029 0.000 2.046 794 L HA -0.118 4.216 4.340 -0.011 0.000 0.208 794 L C 2.302 179.057 176.870 -0.192 0.000 1.077 794 L CA 2.132 56.925 54.840 -0.079 0.000 0.747 794 L CB -1.268 40.667 42.059 -0.206 0.000 0.896 794 L HN 0.079 nan 8.230 nan 0.000 0.432 795 G N -0.095 108.578 108.800 -0.212 0.000 2.433 795 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.216 795 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.216 795 G C 1.577 176.502 174.900 0.042 0.000 1.186 795 G CA 0.765 45.843 45.100 -0.036 0.000 0.779 795 G HN 0.332 nan 8.290 nan 0.000 0.543 796 K N 0.297 120.730 120.400 0.055 0.000 2.044 796 K HA -0.144 4.169 4.320 -0.011 0.000 0.210 796 K C 2.351 178.976 176.600 0.042 0.000 1.049 796 K CA 1.466 57.780 56.287 0.045 0.000 0.927 796 K CB -0.214 32.322 32.500 0.059 0.000 0.713 796 K HN 0.448 nan 8.250 nan 0.000 0.443 797 E N 1.094 121.323 120.200 0.049 0.000 2.038 797 E HA -0.183 4.161 4.350 -0.011 0.000 0.195 797 E C 2.036 178.662 176.600 0.042 0.000 1.000 797 E CA 1.055 57.493 56.400 0.065 0.000 0.803 797 E CB -0.014 29.752 29.700 0.110 0.000 0.750 797 E HN 0.213 nan 8.360 nan 0.000 0.448 798 L N 0.108 121.332 121.223 0.002 0.000 2.131 798 L HA -0.154 4.180 4.340 -0.011 0.000 0.210 798 L C 2.747 179.698 176.870 0.135 0.000 1.092 798 L CA 0.953 55.798 54.840 0.007 0.000 0.759 798 L CB -0.268 41.761 42.059 -0.049 0.000 0.903 798 L HN 0.085 nan 8.230 nan 0.000 0.435 799 R N 0.014 120.562 120.500 0.080 0.000 2.092 799 R HA -0.096 4.237 4.340 -0.011 0.000 0.231 799 R C 1.998 178.277 176.300 -0.037 0.000 1.119 799 R CA 1.436 57.555 56.100 0.033 0.000 0.970 799 R CB -0.250 30.066 30.300 0.027 0.000 0.864 799 R HN 0.531 nan 8.270 nan 0.000 0.440 800 N N 0.337 119.030 118.700 -0.012 0.000 2.244 800 N HA -0.115 4.618 4.740 -0.011 0.000 0.183 800 N C 1.699 177.185 175.510 -0.039 0.000 1.016 800 N CA 0.354 53.386 53.050 -0.030 0.000 0.866 800 N CB 0.086 38.573 38.487 0.000 0.000 0.980 800 N HN 0.134 nan 8.380 nan 0.000 0.430 801 L N 1.647 122.879 121.223 0.016 0.000 2.017 801 L HA -0.222 4.111 4.340 -0.011 0.000 0.208 801 L C 2.586 179.411 176.870 -0.076 0.000 1.073 801 L CA 1.679 56.556 54.840 0.061 0.000 0.745 801 L CB -0.676 41.504 42.059 0.202 0.000 0.894 801 L HN 0.340 nan 8.230 nan 0.000 0.432 802 Q N -0.146 119.473 119.800 -0.302 0.000 2.050 802 Q HA -0.238 4.096 4.340 -0.011 0.000 0.202 802 Q C 1.948 177.590 176.000 -0.596 0.000 0.980 802 Q CA 1.773 57.113 55.803 -0.771 0.000 0.840 802 Q CB 0.046 28.145 28.738 -1.065 0.000 0.898 802 Q HN 0.488 nan 8.270 nan 0.000 0.424 803 E N 0.129 120.103 120.200 -0.377 0.000 2.070 803 E HA -0.259 4.084 4.350 -0.011 0.000 0.197 803 E C 1.964 178.392 176.600 -0.287 0.000 1.004 803 E CA 1.498 57.714 56.400 -0.307 0.000 0.805 803 E CB -0.032 29.556 29.700 -0.186 0.000 0.744 803 E HN 0.311 nan 8.360 nan 0.000 0.451 804 E N 0.588 120.664 120.200 -0.207 0.000 2.150 804 E HA -0.153 4.190 4.350 -0.011 0.000 0.193 804 E C 1.388 177.878 176.600 -0.183 0.000 0.985 804 E CA 1.077 57.387 56.400 -0.151 0.000 0.814 804 E CB 0.047 29.703 29.700 -0.073 0.000 0.752 804 E HN 0.166 nan 8.360 nan 0.000 0.466 805 D N -0.604 119.642 120.400 -0.255 0.000 2.224 805 D HA -0.072 4.561 4.640 -0.011 0.000 0.205 805 D C 1.631 177.682 176.300 -0.415 0.000 0.965 805 D CA 0.595 54.458 54.000 -0.228 0.000 0.852 805 D CB -0.001 40.738 40.800 -0.101 0.000 0.947 805 D HN 0.255 nan 8.370 nan 0.000 0.494 806 I N 0.851 120.983 120.570 -0.729 0.000 2.353 806 I HA -0.205 3.959 4.170 -0.011 0.000 0.248 806 I C 2.163 178.101 176.117 -0.298 0.000 1.119 806 I CA 0.910 61.798 61.300 -0.687 0.000 1.417 806 I CB -0.012 37.541 38.000 -0.745 0.000 1.078 806 I HN -0.042 nan 8.210 nan 0.000 0.421 807 K N 0.602 120.860 120.400 -0.237 0.000 2.002 807 K HA -0.110 4.204 4.320 -0.011 0.000 0.209 807 K C 2.098 178.642 176.600 -0.092 0.000 1.048 807 K CA 1.507 57.707 56.287 -0.144 0.000 0.930 807 K CB -0.800 31.628 32.500 -0.120 0.000 0.714 807 K HN 0.192 nan 8.250 nan 0.000 0.438 808 V N 1.959 121.830 119.914 -0.073 0.000 2.324 808 V HA -0.226 3.888 4.120 -0.011 0.000 0.250 808 V C 2.569 178.660 176.094 -0.005 0.000 1.060 808 V CA 1.623 63.908 62.300 -0.024 0.000 1.042 808 V CB -0.746 31.080 31.823 0.004 0.000 0.650 808 V HN 0.047 nan 8.190 nan 0.000 0.450 809 V N -0.680 119.234 119.914 -0.000 0.000 2.307 809 V HA -0.197 3.916 4.120 -0.011 0.000 0.245 809 V C 2.405 178.497 176.094 -0.002 0.000 1.045 809 V CA 1.683 64.002 62.300 0.032 0.000 1.024 809 V CB -0.498 31.413 31.823 0.148 0.000 0.651 809 V HN 0.376 nan 8.190 nan 0.000 0.449 810 L N 0.256 121.459 121.223 -0.033 0.000 2.046 810 L HA -0.105 4.229 4.340 -0.011 0.000 0.208 810 L C 2.599 179.448 176.870 -0.035 0.000 1.077 810 L CA 2.295 57.109 54.840 -0.044 0.000 0.747 810 L CB -1.610 40.400 42.059 -0.081 0.000 0.896 810 L HN 0.320 nan 8.230 nan 0.000 0.432 811 A N -0.366 122.434 122.820 -0.034 0.000 1.858 811 A HA -0.207 4.107 4.320 -0.011 0.000 0.216 811 A C 2.323 179.905 177.584 -0.004 0.000 1.190 811 A CA 1.920 53.945 52.037 -0.021 0.000 0.617 811 A CB -0.747 18.242 19.000 -0.019 0.000 0.827 811 A HN 0.378 nan 8.150 nan 0.000 0.443 812 I N -0.259 120.316 120.570 0.007 0.000 2.286 812 I HA -0.270 3.894 4.170 -0.011 0.000 0.248 812 I C 2.695 178.820 176.117 0.014 0.000 1.115 812 I CA 1.123 62.438 61.300 0.025 0.000 1.392 812 I CB -0.177 37.855 38.000 0.053 0.000 1.065 812 I HN 0.358 nan 8.210 nan 0.000 0.418 813 A N -0.275 122.543 122.820 -0.003 0.000 2.208 813 A HA -0.054 4.259 4.320 -0.011 0.000 0.209 813 A C 0.860 178.442 177.584 -0.003 0.000 1.161 813 A CA 0.316 52.347 52.037 -0.009 0.000 0.782 813 A CB -0.336 18.652 19.000 -0.021 0.000 0.816 813 A HN 0.551 nan 8.150 nan 0.000 0.477 814 N N 0.336 119.034 118.700 -0.004 0.000 2.727 814 N HA -0.124 4.610 4.740 -0.011 0.000 0.251 814 N C -1.020 174.490 175.510 -0.000 0.000 1.040 814 N CA 1.299 54.348 53.050 -0.001 0.000 0.712 814 N CB -0.865 37.626 38.487 0.007 0.000 0.912 814 N HN 0.682 nan 8.380 nan 0.000 0.545 815 D N -2.276 118.117 120.400 -0.011 0.000 2.596 815 D HA 0.454 5.088 4.640 -0.011 0.000 0.262 815 D C 0.212 176.481 176.300 -0.052 0.000 1.210 815 D CA -0.033 53.965 54.000 -0.003 0.000 0.873 815 D CB 0.988 41.801 40.800 0.022 0.000 1.408 815 D HN 0.011 nan 8.370 nan 0.000 0.441 816 S N -0.668 114.981 115.700 -0.085 0.000 2.603 816 S HA 0.219 4.683 4.470 -0.011 0.000 0.232 816 S C 0.008 174.274 174.600 -0.558 0.000 1.016 816 S CA -0.148 57.869 58.200 -0.304 0.000 0.976 816 S CB 0.247 63.220 63.200 -0.379 0.000 0.921 816 S HN 0.389 nan 8.310 nan 0.000 0.516 817 H N 0.634 119.686 119.070 -0.029 0.000 2.529 817 H HA 0.576 5.126 4.556 -0.011 0.000 0.348 817 H C -0.900 174.410 175.328 -0.030 0.000 1.079 817 H CA -0.891 55.138 56.048 -0.032 0.000 1.198 817 H CB 0.941 30.688 29.762 -0.024 0.000 1.521 817 H HN 0.011 nan 8.280 nan 0.000 0.514 818 L N 4.427 125.678 121.223 0.046 0.000 2.490 818 L HA -0.009 4.324 4.340 -0.011 0.000 0.274 818 L C 0.736 177.617 176.870 0.019 0.000 1.201 818 L CA 0.357 55.211 54.840 0.022 0.000 0.869 818 L CB -0.308 41.758 42.059 0.013 0.000 1.123 818 L HN 0.976 nan 8.230 nan 0.000 0.484 819 M N 2.730 122.330 119.600 0.000 0.000 2.259 819 M HA -0.264 4.209 4.480 -0.011 0.000 0.188 819 M C 0.496 176.796 176.300 -0.001 0.000 0.665 819 M CA 1.316 56.606 55.300 -0.017 0.000 0.464 819 M CB -1.992 30.582 32.600 -0.044 0.000 1.063 819 M HN 0.605 nan 8.290 nan 0.000 0.912 820 A N 0.079 122.911 122.820 0.020 0.000 2.167 820 A HA 0.018 4.332 4.320 -0.011 0.000 0.214 820 A C 1.174 178.772 177.584 0.023 0.000 1.151 820 A CA 1.492 53.549 52.037 0.032 0.000 0.735 820 A CB -0.243 18.791 19.000 0.057 0.000 0.802 820 A HN 0.848 nan 8.150 nan 0.000 0.467 821 D N -0.562 119.846 120.400 0.012 0.000 2.355 821 D HA 0.141 4.774 4.640 -0.011 0.000 0.218 821 D C 0.142 176.454 176.300 0.020 0.000 1.004 821 D CA 0.509 54.517 54.000 0.014 0.000 0.880 821 D CB 0.069 40.871 40.800 0.004 0.000 0.911 821 D HN 0.374 nan 8.370 nan 0.000 0.528 822 L N 1.211 122.442 121.223 0.014 0.000 2.556 822 L HA 0.294 4.628 4.340 -0.011 0.000 0.243 822 L C -1.661 175.228 176.870 0.031 0.000 1.331 822 L CA -1.274 53.579 54.840 0.023 0.000 0.927 822 L CB 1.685 43.735 42.059 -0.014 0.000 1.219 822 L HN -0.179 nan 8.230 nan 0.000 0.490 823 P HA -0.248 nan 4.420 nan 0.000 0.216 823 P C 1.478 178.866 177.300 0.148 0.000 1.150 823 P CA 1.353 64.524 63.100 0.118 0.000 0.837 823 P CB 0.082 31.887 31.700 0.177 0.000 0.786 824 W N 1.431 122.754 121.300 0.038 0.000 2.381 824 W HA -0.115 4.538 4.660 -0.011 0.000 0.301 824 W C 1.828 178.270 176.519 -0.129 0.000 1.205 824 W CA 0.690 58.001 57.345 -0.057 0.000 1.285 824 W CB -0.668 28.828 29.460 0.061 0.000 1.133 824 W HN -0.200 nan 8.180 nan 0.000 0.521 825 I N 1.688 122.051 120.570 -0.346 0.000 2.286 825 I HA -0.276 3.888 4.170 -0.011 0.000 0.248 825 I C 2.841 178.725 176.117 -0.387 0.000 1.115 825 I CA 1.456 62.468 61.300 -0.480 0.000 1.392 825 I CB -1.039 36.804 38.000 -0.261 0.000 1.065 825 I HN -0.032 nan 8.210 nan 0.000 0.418 826 A N 0.404 123.085 122.820 -0.232 0.000 1.858 826 A HA -0.247 4.066 4.320 -0.011 0.000 0.216 826 A C 2.381 179.824 177.584 -0.236 0.000 1.190 826 A CA 1.731 53.661 52.037 -0.178 0.000 0.617 826 A CB -0.619 18.328 19.000 -0.088 0.000 0.827 826 A HN 0.389 nan 8.150 nan 0.000 0.443 827 E N -0.071 119.959 120.200 -0.283 0.000 2.038 827 E HA -0.199 4.144 4.350 -0.011 0.000 0.195 827 E C 2.407 178.760 176.600 -0.412 0.000 1.000 827 E CA 1.580 57.777 56.400 -0.339 0.000 0.803 827 E CB -0.330 29.053 29.700 -0.529 0.000 0.750 827 E HN 0.551 nan 8.360 nan 0.000 0.448 828 S N 0.136 115.429 115.700 -0.679 0.000 2.383 828 S HA -0.149 4.314 4.470 -0.011 0.000 0.229 828 S C 2.141 176.490 174.600 -0.418 0.000 1.030 828 S CA 1.147 58.932 58.200 -0.691 0.000 1.002 828 S CB -0.302 62.147 63.200 -1.252 0.000 0.829 828 S HN 0.281 nan 8.310 nan 0.000 0.467 829 I N 0.807 121.160 120.570 -0.361 0.000 2.315 829 I HA -0.145 4.018 4.170 -0.011 0.000 0.248 829 I C 2.805 178.819 176.117 -0.172 0.000 1.117 829 I CA 1.368 62.524 61.300 -0.241 0.000 1.404 829 I CB -0.364 37.512 38.000 -0.207 0.000 1.071 829 I HN 0.424 nan 8.210 nan 0.000 0.419 830 Q N 0.949 120.648 119.800 -0.169 0.000 2.061 830 Q HA -0.231 4.102 4.340 -0.011 0.000 0.204 830 Q C 2.362 178.309 176.000 -0.088 0.000 0.984 830 Q CA 1.672 57.404 55.803 -0.118 0.000 0.846 830 Q CB -0.071 28.600 28.738 -0.112 0.000 0.902 830 Q HN 0.488 nan 8.270 nan 0.000 0.421 831 L N 0.161 121.337 121.223 -0.078 0.000 1.970 831 L HA -0.264 4.070 4.340 -0.011 0.000 0.212 831 L C 2.464 179.400 176.870 0.109 0.000 1.071 831 L CA 1.835 56.689 54.840 0.022 0.000 0.751 831 L CB -0.272 41.786 42.059 -0.002 0.000 0.889 831 L HN 0.312 nan 8.230 nan 0.000 0.432 832 R N -0.461 120.052 120.500 0.021 0.000 2.096 832 R HA -0.159 4.174 4.340 -0.011 0.000 0.235 832 R C 1.957 178.279 176.300 0.035 0.000 1.127 832 R CA 1.613 57.741 56.100 0.047 0.000 0.968 832 R CB -0.489 29.777 30.300 -0.057 0.000 0.861 832 R HN 0.581 nan 8.270 nan 0.000 0.440 833 N N 1.028 119.711 118.700 -0.028 0.000 2.104 833 N HA -0.150 4.584 4.740 -0.011 0.000 0.190 833 N C 2.047 177.520 175.510 -0.062 0.000 1.024 833 N CA 1.393 54.416 53.050 -0.045 0.000 0.853 833 N CB -0.127 38.320 38.487 -0.066 0.000 1.008 833 N HN 0.306 nan 8.380 nan 0.000 0.424 834 I N -1.718 118.796 120.570 -0.094 0.000 2.439 834 I HA -0.187 3.977 4.170 -0.011 0.000 0.251 834 I C 1.222 177.175 176.117 -0.274 0.000 1.139 834 I CA 1.328 62.502 61.300 -0.211 0.000 1.438 834 I CB -0.528 37.293 38.000 -0.299 0.000 1.085 834 I HN 0.082 nan 8.210 nan 0.000 0.427 835 Y N 2.309 122.583 120.300 -0.043 0.000 2.395 835 Y HA -0.067 4.477 4.550 -0.011 0.000 0.293 835 Y C 2.751 178.648 175.900 -0.005 0.000 1.123 835 Y CA 1.790 59.885 58.100 -0.007 0.000 1.227 835 Y CB -0.311 38.176 38.460 0.044 0.000 1.012 835 Y HN 0.174 nan 8.280 nan 0.000 0.552 836 T N -0.833 113.781 114.554 0.101 0.000 2.942 836 T HA -0.155 4.189 4.350 -0.011 0.000 0.265 836 T C 1.358 176.053 174.700 -0.008 0.000 1.062 836 T CA 1.242 63.378 62.100 0.060 0.000 1.139 836 T CB -0.395 68.500 68.868 0.046 0.000 0.883 836 T HN 0.372 nan 8.240 nan 0.000 0.468 837 D N 1.870 122.234 120.400 -0.060 0.000 2.303 837 D HA -0.175 4.458 4.640 -0.011 0.000 0.190 837 D C -0.703 175.509 176.300 -0.147 0.000 1.011 837 D CA 1.995 55.937 54.000 -0.097 0.000 0.860 837 D CB -0.669 40.036 40.800 -0.159 0.000 0.961 837 D HN 0.283 nan 8.370 nan 0.000 0.453 838 P HA -0.077 nan 4.420 nan 0.000 0.223 838 P C 1.788 178.873 177.300 -0.358 0.000 1.151 838 P CA 0.938 63.730 63.100 -0.514 0.000 0.787 838 P CB -0.111 30.916 31.700 -1.122 0.000 0.788 839 L N -0.550 120.578 121.223 -0.158 0.000 2.072 839 L HA -0.142 4.192 4.340 -0.011 0.000 0.205 839 L C 2.219 179.121 176.870 0.054 0.000 1.079 839 L CA 1.615 56.464 54.840 0.015 0.000 0.752 839 L CB -1.081 41.037 42.059 0.098 0.000 0.906 839 L HN -0.043 nan 8.230 nan 0.000 0.436 840 N N -0.716 118.028 118.700 0.073 0.000 2.166 840 N HA -0.162 4.572 4.740 -0.011 0.000 0.186 840 N C 1.771 177.376 175.510 0.158 0.000 1.019 840 N CA 1.121 54.290 53.050 0.199 0.000 0.856 840 N CB -0.174 38.459 38.487 0.243 0.000 0.993 840 N HN 0.012 nan 8.380 nan 0.000 0.426 841 V N 0.740 120.659 119.914 0.009 0.000 2.407 841 V HA -0.164 3.949 4.120 -0.011 0.000 0.248 841 V C 2.075 178.201 176.094 0.053 0.000 1.055 841 V CA 1.201 63.460 62.300 -0.068 0.000 1.049 841 V CB -0.486 31.226 31.823 -0.186 0.000 0.662 841 V HN 0.298 nan 8.190 nan 0.000 0.455 842 L N -0.004 121.234 121.223 0.025 0.000 2.095 842 L HA -0.115 4.219 4.340 -0.011 0.000 0.204 842 L C 2.508 179.409 176.870 0.051 0.000 1.080 842 L CA 2.118 56.997 54.840 0.064 0.000 0.759 842 L CB -0.816 41.304 42.059 0.101 0.000 0.914 842 L HN 0.393 nan 8.230 nan 0.000 0.439 843 Q N -0.404 119.423 119.800 0.045 0.000 2.152 843 Q HA -0.263 4.071 4.340 -0.011 0.000 0.206 843 Q C 2.066 177.992 176.000 -0.124 0.000 0.985 843 Q CA 2.068 57.876 55.803 0.008 0.000 0.863 843 Q CB -0.239 28.546 28.738 0.078 0.000 0.904 843 Q HN 0.650 nan 8.270 nan 0.000 0.422 844 A N 0.657 123.327 122.820 -0.250 0.000 1.933 844 A HA -0.202 4.111 4.320 -0.011 0.000 0.218 844 A C 1.985 179.450 177.584 -0.199 0.000 1.175 844 A CA 1.540 53.313 52.037 -0.440 0.000 0.628 844 A CB -0.544 18.180 19.000 -0.460 0.000 0.814 844 A HN 0.421 nan 8.150 nan 0.000 0.444 845 E N -0.126 120.036 120.200 -0.063 0.000 2.106 845 E HA -0.098 4.245 4.350 -0.011 0.000 0.192 845 E C 2.056 178.680 176.600 0.041 0.000 0.984 845 E CA 0.798 57.201 56.400 0.004 0.000 0.806 845 E CB -0.242 29.483 29.700 0.041 0.000 0.750 845 E HN 0.679 nan 8.360 nan 0.000 0.458 846 L N 0.255 121.485 121.223 0.012 0.000 2.005 846 L HA -0.176 4.157 4.340 -0.011 0.000 0.207 846 L C 2.649 179.514 176.870 -0.009 0.000 1.072 846 L CA 0.813 55.661 54.840 0.013 0.000 0.744 846 L CB -0.473 41.596 42.059 0.018 0.000 0.895 846 L HN 0.118 nan 8.230 nan 0.000 0.433 847 L N -0.908 120.290 121.223 -0.040 0.000 2.079 847 L HA -0.295 4.039 4.340 -0.011 0.000 0.210 847 L C 2.758 179.602 176.870 -0.044 0.000 1.081 847 L CA 1.278 56.082 54.840 -0.060 0.000 0.752 847 L CB -0.825 41.174 42.059 -0.101 0.000 0.896 847 L HN 0.424 nan 8.230 nan 0.000 0.433 848 H N 0.806 119.809 119.070 -0.111 0.000 2.326 848 H HA -0.115 4.435 4.556 -0.011 0.000 0.301 848 H C 2.409 177.700 175.328 -0.062 0.000 1.081 848 H CA 1.644 57.637 56.048 -0.093 0.000 1.334 848 H CB 0.207 29.907 29.762 -0.104 0.000 1.385 848 H HN 0.262 nan 8.280 nan 0.000 0.504 849 R N 0.081 120.532 120.500 -0.082 0.000 2.081 849 R HA -0.105 4.229 4.340 -0.011 0.000 0.235 849 R C 2.849 179.075 176.300 -0.123 0.000 1.131 849 R CA 1.304 57.340 56.100 -0.108 0.000 0.960 849 R CB -0.305 29.994 30.300 -0.002 0.000 0.856 849 R HN 0.201 nan 8.270 nan 0.000 0.436 850 S N 0.770 116.419 115.700 -0.085 0.000 2.348 850 S HA -0.157 4.306 4.470 -0.011 0.000 0.221 850 S C 1.953 176.493 174.600 -0.100 0.000 1.033 850 S CA 1.228 59.383 58.200 -0.075 0.000 1.010 850 S CB -0.034 63.133 63.200 -0.054 0.000 0.891 850 S HN 0.230 nan 8.310 nan 0.000 0.442 851 R N 0.652 121.078 120.500 -0.123 0.000 2.193 851 R HA -0.092 4.242 4.340 -0.011 0.000 0.229 851 R C 2.568 178.778 176.300 -0.151 0.000 1.110 851 R CA 1.583 57.607 56.100 -0.126 0.000 0.988 851 R CB -0.179 30.047 30.300 -0.122 0.000 0.871 851 R HN 0.763 nan 8.270 nan 0.000 0.458 852 Q N -0.738 118.933 119.800 -0.214 0.000 2.376 852 Q HA 0.125 4.459 4.340 -0.011 0.000 0.206 852 Q C 1.821 177.746 176.000 -0.125 0.000 0.921 852 Q CA 0.868 56.552 55.803 -0.198 0.000 0.911 852 Q CB 0.136 28.692 28.738 -0.303 0.000 1.032 852 Q HN 0.178 nan 8.270 nan 0.000 0.510 853 A N 2.367 125.122 122.820 -0.109 0.000 1.877 853 A HA -0.269 4.045 4.320 -0.011 0.000 0.216 853 A C 2.096 179.643 177.584 -0.061 0.000 1.186 853 A CA 1.623 53.617 52.037 -0.072 0.000 0.620 853 A CB -0.741 18.224 19.000 -0.058 0.000 0.822 853 A HN 0.728 nan 8.150 nan 0.000 0.443 854 E N 0.348 120.508 120.200 -0.066 0.000 2.017 854 E HA -0.305 4.039 4.350 -0.011 0.000 0.193 854 E C 1.925 178.493 176.600 -0.052 0.000 0.997 854 E CA 1.546 57.913 56.400 -0.055 0.000 0.804 854 E CB -0.631 29.036 29.700 -0.055 0.000 0.757 854 E HN 0.564 nan 8.360 nan 0.000 0.448 855 K N 1.307 121.671 120.400 -0.060 0.000 2.521 855 K HA -0.220 4.094 4.320 -0.011 0.000 0.198 855 K C 0.719 177.294 176.600 -0.043 0.000 1.046 855 K CA 1.751 58.007 56.287 -0.052 0.000 0.931 855 K CB -0.026 32.437 32.500 -0.062 0.000 0.764 855 K HN 0.291 nan 8.250 nan 0.000 0.487 856 E N -0.911 119.264 120.200 -0.043 0.000 4.170 856 E HA 0.138 4.482 4.350 -0.011 0.000 0.199 856 E C -0.596 175.985 176.600 -0.031 0.000 1.080 856 E CA 0.078 56.456 56.400 -0.035 0.000 1.446 856 E CB 0.426 30.101 29.700 -0.040 0.000 1.170 856 E HN 0.394 nan 8.360 nan 0.000 0.429 857 G N 1.498 110.280 108.800 -0.031 0.000 2.318 857 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.272 857 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.272 857 G C 0.044 174.929 174.900 -0.026 0.000 0.845 857 G CA 1.203 46.286 45.100 -0.027 0.000 1.153 857 G HN 0.547 nan 8.290 nan 0.000 0.460 858 Q N -0.216 119.566 119.800 -0.030 0.000 2.241 858 Q HA 0.731 5.065 4.340 -0.011 0.000 0.262 858 Q C 0.241 176.225 176.000 -0.027 0.000 1.014 858 Q CA -0.211 55.576 55.803 -0.027 0.000 0.885 858 Q CB 0.621 29.342 28.738 -0.029 0.000 1.311 858 Q HN 0.769 nan 8.270 nan 0.000 0.461 859 E N 2.652 122.838 120.200 -0.023 0.000 2.265 859 E HA 0.260 4.604 4.350 -0.011 0.000 0.272 859 E C -2.038 174.549 176.600 -0.022 0.000 1.067 859 E CA -1.526 54.862 56.400 -0.021 0.000 0.900 859 E CB 0.187 29.877 29.700 -0.017 0.000 1.017 859 E HN 0.476 nan 8.360 nan 0.000 0.431 860 P HA -0.084 nan 4.420 nan 0.000 0.257 860 P C -0.522 176.767 177.300 -0.019 0.000 1.227 860 P CA 0.089 63.175 63.100 -0.023 0.000 0.981 860 P CB 0.321 32.007 31.700 -0.023 0.000 1.044 861 D N 5.376 125.765 120.400 -0.018 0.000 2.450 861 D HA -0.007 4.627 4.640 -0.011 0.000 0.247 861 D C -1.086 175.208 176.300 -0.010 0.000 1.162 861 D CA -1.512 52.481 54.000 -0.012 0.000 0.879 861 D CB 1.124 41.918 40.800 -0.010 0.000 1.163 861 D HN 0.190 nan 8.370 nan 0.000 0.472 862 P HA -0.110 nan 4.420 nan 0.000 0.218 862 P C 1.166 178.463 177.300 -0.006 0.000 1.149 862 P CA 0.930 64.024 63.100 -0.009 0.000 0.817 862 P CB 0.302 31.995 31.700 -0.010 0.000 0.785 863 R N -0.091 120.407 120.500 -0.002 0.000 2.062 863 R HA -0.032 4.302 4.340 -0.011 0.000 0.231 863 R C 2.292 178.597 176.300 0.008 0.000 1.136 863 R CA 1.235 57.337 56.100 0.003 0.000 0.948 863 R CB -1.839 28.466 30.300 0.008 0.000 0.845 863 R HN 0.078 nan 8.270 nan 0.000 0.430 864 V N 2.106 122.024 119.914 0.007 0.000 2.324 864 V HA -0.254 3.860 4.120 -0.011 0.000 0.250 864 V C 2.322 178.420 176.094 0.006 0.000 1.060 864 V CA 1.951 64.255 62.300 0.008 0.000 1.042 864 V CB -0.552 31.271 31.823 -0.001 0.000 0.650 864 V HN 0.369 nan 8.190 nan 0.000 0.450 865 E N -0.620 119.579 120.200 -0.001 0.000 2.072 865 E HA -0.254 4.090 4.350 -0.011 0.000 0.191 865 E C 2.376 178.979 176.600 0.005 0.000 0.985 865 E CA 1.251 57.650 56.400 -0.002 0.000 0.801 865 E CB -0.118 29.577 29.700 -0.008 0.000 0.750 865 E HN 0.644 nan 8.360 nan 0.000 0.452 866 Q N -0.146 119.656 119.800 0.004 0.000 2.119 866 Q HA -0.113 4.221 4.340 -0.011 0.000 0.201 866 Q C 2.131 178.142 176.000 0.019 0.000 0.972 866 Q CA 1.095 56.901 55.803 0.005 0.000 0.847 866 Q CB -0.037 28.699 28.738 -0.004 0.000 0.903 866 Q HN 0.205 nan 8.270 nan 0.000 0.433 867 A N 0.774 123.610 122.820 0.027 0.000 1.933 867 A HA -0.164 4.150 4.320 -0.011 0.000 0.218 867 A C 1.971 179.589 177.584 0.056 0.000 1.175 867 A CA 0.826 52.892 52.037 0.048 0.000 0.628 867 A CB -0.641 18.392 19.000 0.055 0.000 0.814 867 A HN 0.396 nan 8.150 nan 0.000 0.444 868 L N -0.911 120.338 121.223 0.042 0.000 2.017 868 L HA -0.197 4.137 4.340 -0.011 0.000 0.208 868 L C 2.711 179.611 176.870 0.050 0.000 1.073 868 L CA 1.784 56.649 54.840 0.042 0.000 0.745 868 L CB -0.314 41.758 42.059 0.021 0.000 0.894 868 L HN 0.456 nan 8.230 nan 0.000 0.432 869 M N -1.479 118.144 119.600 0.039 0.000 2.213 869 M HA -0.206 4.267 4.480 -0.011 0.000 0.263 869 M C 2.119 178.454 176.300 0.059 0.000 1.062 869 M CA 1.232 56.557 55.300 0.042 0.000 1.105 869 M CB -0.318 32.295 32.600 0.022 0.000 1.385 869 M HN 0.148 nan 8.290 nan 0.000 0.417 870 V N 0.525 120.476 119.914 0.063 0.000 2.358 870 V HA -0.245 3.869 4.120 -0.011 0.000 0.246 870 V C 2.663 178.823 176.094 0.109 0.000 1.047 870 V CA 2.358 64.708 62.300 0.083 0.000 1.035 870 V CB -1.186 30.687 31.823 0.083 0.000 0.658 870 V HN 0.640 nan 8.190 nan 0.000 0.452 871 T N -1.257 113.363 114.554 0.110 0.000 2.708 871 T HA -0.178 4.166 4.350 -0.011 0.000 0.266 871 T C 1.859 176.633 174.700 0.123 0.000 1.037 871 T CA 1.725 63.899 62.100 0.124 0.000 1.146 871 T CB -0.571 68.367 68.868 0.116 0.000 0.865 871 T HN 0.335 nan 8.240 nan 0.000 0.435 872 I N 2.304 122.942 120.570 0.114 0.000 2.087 872 I HA -0.253 3.910 4.170 -0.011 0.000 0.240 872 I C 3.218 179.424 176.117 0.148 0.000 1.054 872 I CA 1.786 63.163 61.300 0.128 0.000 1.311 872 I CB -0.645 37.426 38.000 0.118 0.000 1.024 872 I HN 0.401 nan 8.210 nan 0.000 0.402 873 A N 0.407 123.310 122.820 0.138 0.000 1.969 873 A HA -0.081 4.232 4.320 -0.011 0.000 0.218 873 A C 2.370 180.052 177.584 0.164 0.000 1.169 873 A CA 1.760 53.891 52.037 0.156 0.000 0.635 873 A CB -1.297 17.767 19.000 0.107 0.000 0.810 873 A HN 0.516 nan 8.150 nan 0.000 0.445 874 G N 0.196 109.084 108.800 0.148 0.000 2.414 874 G HA2 -0.143 3.810 3.960 -0.011 0.000 0.215 874 G HA3 -0.143 3.810 3.960 -0.011 0.000 0.215 874 G C 1.514 176.497 174.900 0.139 0.000 1.188 874 G CA 1.032 46.224 45.100 0.155 0.000 0.783 874 G HN 0.458 nan 8.290 nan 0.000 0.537 875 I N 1.596 122.238 120.570 0.120 0.000 2.208 875 I HA -0.223 3.941 4.170 -0.011 0.000 0.245 875 I C 3.276 179.425 176.117 0.055 0.000 1.097 875 I CA 1.070 62.421 61.300 0.085 0.000 1.363 875 I CB -0.262 37.790 38.000 0.087 0.000 1.051 875 I HN 0.244 nan 8.210 nan 0.000 0.413 876 A N 0.675 123.541 122.820 0.076 0.000 1.972 876 A HA -0.101 4.212 4.320 -0.011 0.000 0.219 876 A C 2.507 180.146 177.584 0.092 0.000 1.169 876 A CA 1.791 53.849 52.037 0.035 0.000 0.635 876 A CB -0.623 18.466 19.000 0.148 0.000 0.810 876 A HN 0.454 nan 8.150 nan 0.000 0.446 877 A N -0.717 122.206 122.820 0.170 0.000 1.930 877 A HA 0.260 4.574 4.320 -0.011 0.000 0.215 877 A C 2.322 179.980 177.584 0.123 0.000 1.176 877 A CA 1.553 53.738 52.037 0.246 0.000 0.632 877 A CB -1.073 18.101 19.000 0.290 0.000 0.819 877 A HN 0.633 nan 8.150 nan 0.000 0.445 878 G N -0.914 107.926 108.800 0.068 0.000 2.403 878 G HA2 -0.092 3.862 3.960 -0.011 0.000 0.216 878 G HA3 -0.092 3.862 3.960 -0.011 0.000 0.216 878 G C 1.387 176.243 174.900 -0.072 0.000 1.154 878 G CA 1.061 46.163 45.100 0.002 0.000 0.784 878 G HN 0.334 nan 8.290 nan 0.000 0.538 879 M N 0.069 119.633 119.600 -0.059 0.000 2.492 879 M HA 0.242 4.716 4.480 -0.011 0.000 0.262 879 M C 1.431 177.651 176.300 -0.132 0.000 1.090 879 M CA 0.076 55.316 55.300 -0.100 0.000 1.110 879 M CB -0.817 31.724 32.600 -0.098 0.000 1.407 879 M HN 0.238 nan 8.290 nan 0.000 0.470 880 R N 1.321 121.752 120.500 -0.115 0.000 3.603 880 R HA -0.220 4.114 4.340 -0.011 0.000 0.560 880 R C 0.384 176.630 176.300 -0.091 0.000 0.241 880 R CA 1.656 57.697 56.100 -0.099 0.000 1.735 880 R CB -1.761 28.401 30.300 -0.229 0.000 0.912 880 R HN 0.567 nan 8.270 nan 0.000 0.603 881 N N 1.585 120.244 118.700 -0.068 0.000 2.452 881 N HA -0.013 4.721 4.740 -0.011 0.000 0.266 881 N C 0.108 175.576 175.510 -0.071 0.000 1.209 881 N CA 0.877 53.898 53.050 -0.048 0.000 0.929 881 N CB 1.072 39.548 38.487 -0.018 0.000 1.063 881 N HN 0.699 nan 8.380 nan 0.000 0.472 882 T N -1.429 113.088 114.554 -0.063 0.000 3.209 882 T HA 0.394 4.738 4.350 -0.011 0.000 0.295 882 T C 0.509 175.201 174.700 -0.012 0.000 0.977 882 T CA -0.240 61.827 62.100 -0.056 0.000 0.922 882 T CB -0.075 68.741 68.868 -0.086 0.000 1.152 882 T HN 0.580 nan 8.240 nan 0.000 0.527 883 G N 0.000 108.816 108.800 0.027 0.000 5.446 883 G HA2 0.000 3.954 3.960 -0.011 0.000 0.244 883 G HA3 0.000 3.954 3.960 -0.011 0.000 0.244 883 G CA 0.000 45.155 45.100 0.092 0.000 0.502 883 G HN 0.000 nan 8.290 nan 0.000 0.925