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 1o6r_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.477 177.584 -0.178 0.000 1.274 10 A CA 0.000 51.900 52.037 -0.228 0.000 0.836 10 A CB 0.000 18.919 19.000 -0.134 0.000 0.831 11 Y N 0.215 120.582 120.300 0.111 0.000 2.373 11 Y HA 0.465 5.015 4.550 0.001 0.000 0.293 11 Y C 2.395 178.362 175.900 0.112 0.000 1.129 11 Y CA 0.926 59.099 58.100 0.122 0.000 1.226 11 Y CB -1.325 37.234 38.460 0.166 0.000 1.000 11 Y HN 0.425 nan 8.280 nan 0.000 0.549 12 A N 1.696 124.515 122.820 -0.003 0.000 1.940 12 A HA -0.328 3.993 4.320 0.001 0.000 0.221 12 A C 2.343 179.999 177.584 0.120 0.000 1.190 12 A CA 2.461 54.584 52.037 0.142 0.000 0.647 12 A CB -0.817 18.163 19.000 -0.033 0.000 0.821 12 A HN 0.576 nan 8.150 nan 0.000 0.457 13 R N -1.491 119.044 120.500 0.058 0.000 2.115 13 R HA -0.052 4.289 4.340 0.001 0.000 0.226 13 R C 2.282 178.624 176.300 0.071 0.000 1.100 13 R CA 1.568 57.696 56.100 0.046 0.000 0.980 13 R CB -0.524 29.782 30.300 0.010 0.000 0.875 13 R HN 0.597 nan 8.270 nan 0.000 0.445 14 T N 1.639 116.263 114.554 0.117 0.000 2.708 14 T HA -0.123 4.228 4.350 0.001 0.000 0.266 14 T C 1.821 176.633 174.700 0.187 0.000 1.037 14 T CA 0.885 63.068 62.100 0.138 0.000 1.146 14 T CB -0.160 68.852 68.868 0.241 0.000 0.865 14 T HN 0.140 nan 8.240 nan 0.000 0.435 15 L N 0.915 122.279 121.223 0.234 0.000 2.042 15 L HA -0.161 4.180 4.340 0.001 0.000 0.210 15 L C 2.361 179.324 176.870 0.155 0.000 1.076 15 L CA 1.539 56.509 54.840 0.216 0.000 0.749 15 L CB -0.416 41.783 42.059 0.233 0.000 0.893 15 L HN 0.262 nan 8.230 nan 0.000 0.432 16 D N -0.638 119.837 120.400 0.124 0.000 2.183 16 D HA -0.138 4.502 4.640 0.001 0.000 0.203 16 D C 2.236 178.583 176.300 0.079 0.000 0.969 16 D CA 0.911 54.965 54.000 0.091 0.000 0.842 16 D CB 0.030 40.872 40.800 0.069 0.000 0.957 16 D HN 0.334 nan 8.370 nan 0.000 0.484 17 R N 0.471 121.010 120.500 0.064 0.000 2.153 17 R HA 0.078 4.419 4.340 0.001 0.000 0.218 17 R C 2.156 178.500 176.300 0.073 0.000 1.072 17 R CA 0.777 56.897 56.100 0.032 0.000 0.990 17 R CB 0.036 30.312 30.300 -0.040 0.000 0.889 17 R HN 0.042 nan 8.270 nan 0.000 0.452 18 A N 0.550 123.449 122.820 0.131 0.000 1.930 18 A HA -0.041 4.279 4.320 0.001 0.000 0.215 18 A C 2.252 179.963 177.584 0.211 0.000 1.176 18 A CA 0.793 52.977 52.037 0.245 0.000 0.632 18 A CB -0.286 18.953 19.000 0.399 0.000 0.819 18 A HN 0.060 nan 8.150 nan 0.000 0.445 19 V N 1.385 121.384 119.914 0.141 0.000 2.237 19 V HA -0.316 3.805 4.120 0.001 0.000 0.245 19 V C 2.622 178.767 176.094 0.085 0.000 1.046 19 V CA 2.432 64.785 62.300 0.089 0.000 1.007 19 V CB -1.038 30.828 31.823 0.071 0.000 0.638 19 V HN 0.912 nan 8.190 nan 0.000 0.445 20 E N -0.470 119.784 120.200 0.090 0.000 2.209 20 E HA -0.315 4.036 4.350 0.001 0.000 0.196 20 E C 2.192 178.842 176.600 0.083 0.000 0.993 20 E CA 1.957 58.402 56.400 0.074 0.000 0.819 20 E CB -0.595 29.145 29.700 0.066 0.000 0.745 20 E HN 0.687 nan 8.360 nan 0.000 0.477 21 Y N 1.739 122.039 120.300 0.000 0.000 2.133 21 Y HA -0.105 4.445 4.550 0.001 0.000 0.287 21 Y C 2.084 177.987 175.900 0.005 0.000 1.134 21 Y CA 1.357 59.441 58.100 -0.028 0.000 1.133 21 Y CB -0.370 38.050 38.460 -0.066 0.000 0.987 21 Y HN -0.023 nan 8.280 nan 0.000 0.502 22 L N -0.394 120.780 121.223 -0.083 0.000 1.990 22 L HA -0.323 4.018 4.340 0.001 0.000 0.213 22 L C 2.551 179.489 176.870 0.114 0.000 1.072 22 L CA 1.889 56.687 54.840 -0.070 0.000 0.755 22 L CB -0.854 41.180 42.059 -0.043 0.000 0.889 22 L HN 0.319 nan 8.230 nan 0.000 0.432 23 L N -0.370 120.911 121.223 0.098 0.000 2.081 23 L HA -0.259 4.081 4.340 0.001 0.000 0.212 23 L C 2.786 179.616 176.870 -0.067 0.000 1.080 23 L CA 1.675 56.562 54.840 0.077 0.000 0.754 23 L CB -0.581 41.494 42.059 0.027 0.000 0.893 23 L HN 0.438 nan 8.230 nan 0.000 0.433 24 S N -2.060 113.567 115.700 -0.121 0.000 2.481 24 S HA -0.144 4.327 4.470 0.001 0.000 0.231 24 S C 1.878 176.341 174.600 -0.229 0.000 0.996 24 S CA 0.829 58.928 58.200 -0.168 0.000 0.942 24 S CB -0.648 62.465 63.200 -0.146 0.000 0.768 24 S HN 0.451 nan 8.310 nan 0.000 0.520 25 C N 1.174 120.329 119.300 -0.241 0.000 2.495 25 C HA 0.274 4.734 4.460 0.001 0.000 0.275 25 C C 1.412 176.220 174.990 -0.303 0.000 1.392 25 C CA -0.454 58.444 59.018 -0.200 0.000 1.766 25 C CB -1.377 26.296 27.740 -0.111 0.000 1.933 25 C HN 0.739 nan 8.230 nan 0.000 0.519 26 Q N 1.849 121.314 119.800 -0.558 0.000 2.300 26 Q HA 0.065 4.406 4.340 0.001 0.000 0.280 26 Q C -0.209 175.321 176.000 -0.782 0.000 1.033 26 Q CA 0.592 55.677 55.803 -1.198 0.000 0.903 26 Q CB 0.554 28.483 28.738 -1.348 0.000 1.195 26 Q HN 0.324 nan 8.270 nan 0.000 0.386 27 K N 2.804 122.676 120.400 -0.880 0.000 2.149 27 K HA 0.029 4.350 4.320 0.001 0.000 0.245 27 K C 0.226 176.434 176.600 -0.653 0.000 1.024 27 K CA 0.120 55.970 56.287 -0.728 0.000 0.899 27 K CB 0.510 32.401 32.500 -1.016 0.000 1.038 27 K HN 0.612 nan 8.250 nan 0.000 0.496 28 D N 0.882 121.013 120.400 -0.448 0.000 2.097 28 D HA -0.145 4.496 4.640 0.001 0.000 0.195 28 D C 1.013 177.121 176.300 -0.321 0.000 0.989 28 D CA 1.339 55.147 54.000 -0.322 0.000 0.827 28 D CB 0.035 40.712 40.800 -0.205 0.000 0.966 28 D HN 0.511 nan 8.370 nan 0.000 0.456 29 E N -0.591 119.402 120.200 -0.345 0.000 2.331 29 E HA 0.031 4.381 4.350 0.001 0.000 0.199 29 E C 1.613 178.043 176.600 -0.284 0.000 1.008 29 E CA 1.186 57.465 56.400 -0.202 0.000 0.843 29 E CB -0.258 29.434 29.700 -0.013 0.000 0.761 29 E HN 0.399 nan 8.360 nan 0.000 0.507 30 G N -1.301 107.170 108.800 -0.548 0.000 2.211 30 G HA2 -0.231 3.729 3.960 0.001 0.000 0.201 30 G HA3 -0.231 3.729 3.960 0.001 0.000 0.201 30 G C -0.048 174.411 174.900 -0.735 0.000 0.997 30 G CA -0.084 44.705 45.100 -0.519 0.000 0.652 30 G HN 0.310 nan 8.290 nan 0.000 0.500 31 Y N -0.810 118.928 120.300 -0.937 0.000 2.596 31 Y HA 0.868 5.418 4.550 0.001 0.000 0.326 31 Y C 0.068 175.579 175.900 -0.649 0.000 1.167 31 Y CA -2.820 54.731 58.100 -0.915 0.000 1.246 31 Y CB 0.946 38.438 38.460 -1.613 0.000 1.347 31 Y HN 0.077 nan 8.280 nan 0.000 0.515 32 W N 0.997 122.284 121.300 -0.022 0.000 2.639 32 W HA 0.367 5.027 4.660 0.001 0.000 0.347 32 W C -1.727 174.984 176.519 0.319 0.000 1.067 32 W CA -0.830 56.544 57.345 0.048 0.000 1.218 32 W CB 2.032 31.474 29.460 -0.030 0.000 1.393 32 W HN 0.773 nan 8.180 nan 0.000 0.557 33 W N 2.360 123.819 121.300 0.264 0.000 2.861 33 W HA 0.433 5.094 4.660 0.001 0.000 0.302 33 W C -0.964 175.602 176.519 0.079 0.000 1.068 33 W CA -1.270 56.159 57.345 0.139 0.000 1.161 33 W CB 0.178 29.749 29.460 0.185 0.000 0.981 33 W HN 0.372 nan 8.180 nan 0.000 0.322 34 G N 4.526 113.423 108.800 0.162 0.000 2.412 34 G HA2 0.690 4.651 3.960 0.001 0.000 0.318 34 G HA3 0.690 4.651 3.960 0.001 0.000 0.318 34 G C -2.776 172.004 174.900 -0.200 0.000 1.146 34 G CA -1.409 43.669 45.100 -0.037 0.000 0.882 34 G HN 0.113 nan 8.290 nan 0.000 0.501 35 P HA 0.231 nan 4.420 nan 0.000 0.272 35 P C -0.660 176.519 177.300 -0.201 0.000 1.230 35 P CA -0.535 62.380 63.100 -0.308 0.000 0.788 35 P CB 0.918 32.438 31.700 -0.300 0.000 0.949 36 L N 2.754 123.855 121.223 -0.203 0.000 2.298 36 L HA 0.359 4.699 4.340 0.001 0.000 0.284 36 L C -1.260 175.472 176.870 -0.230 0.000 1.013 36 L CA -0.500 54.186 54.840 -0.257 0.000 0.824 36 L CB 0.343 42.280 42.059 -0.204 0.000 1.221 36 L HN 0.084 nan 8.230 nan 0.000 0.418 37 L N 4.243 125.290 121.223 -0.294 0.000 2.334 37 L HA 0.645 4.985 4.340 0.001 0.000 0.277 37 L C 0.820 177.476 176.870 -0.357 0.000 1.075 37 L CA 0.247 54.951 54.840 -0.226 0.000 0.804 37 L CB 1.035 43.020 42.059 -0.124 0.000 1.174 37 L HN 0.917 nan 8.230 nan 0.000 0.438 38 S N 2.050 117.686 115.700 -0.106 0.000 3.756 38 S HA 0.590 5.060 4.470 0.001 0.000 0.183 38 S C -0.196 174.467 174.600 0.105 0.000 1.093 38 S CA -0.117 57.991 58.200 -0.154 0.000 1.303 38 S CB 1.132 64.253 63.200 -0.133 0.000 1.593 38 S HN 0.661 nan 8.310 nan 0.000 0.841 39 N N -0.550 118.210 118.700 0.101 0.000 2.934 39 N HA 0.398 5.139 4.740 0.001 0.000 0.253 39 N C 0.279 175.901 175.510 0.187 0.000 1.466 39 N CA -0.363 52.792 53.050 0.174 0.000 0.858 39 N CB 1.226 39.797 38.487 0.139 0.000 1.459 39 N HN 0.783 nan 8.380 nan 0.000 0.532 40 V N -3.002 116.992 119.914 0.134 0.000 3.383 40 V HA -0.052 4.068 4.120 0.001 0.000 0.272 40 V C 1.435 177.527 176.094 -0.003 0.000 1.181 40 V CA 1.702 64.054 62.300 0.087 0.000 1.171 40 V CB -1.956 29.773 31.823 -0.156 0.000 0.800 40 V HN 0.868 nan 8.190 nan 0.000 0.515 41 T N -2.448 112.106 114.554 0.000 0.000 2.962 41 T HA -0.095 4.256 4.350 0.001 0.000 0.270 41 T C 1.823 176.443 174.700 -0.134 0.000 1.088 41 T CA 1.523 63.571 62.100 -0.087 0.000 1.127 41 T CB -0.380 68.463 68.868 -0.042 0.000 0.883 41 T HN 0.388 nan 8.240 nan 0.000 0.493 42 M N 1.522 121.104 119.600 -0.030 0.000 2.077 42 M HA 0.022 4.502 4.480 0.001 0.000 0.261 42 M C 2.234 178.506 176.300 -0.047 0.000 1.070 42 M CA 1.669 56.918 55.300 -0.086 0.000 1.125 42 M CB -1.169 31.486 32.600 0.092 0.000 1.339 42 M HN 0.262 nan 8.290 nan 0.000 0.409 43 E N 0.898 121.144 120.200 0.077 0.000 2.106 43 E HA -0.019 4.331 4.350 0.001 0.000 0.192 43 E C 2.161 178.832 176.600 0.118 0.000 0.984 43 E CA 1.464 57.967 56.400 0.172 0.000 0.806 43 E CB -0.495 29.358 29.700 0.255 0.000 0.750 43 E HN 0.512 nan 8.360 nan 0.000 0.458 44 A N 0.982 123.787 122.820 -0.025 0.000 1.877 44 A HA -0.229 4.092 4.320 0.001 0.000 0.216 44 A C 2.002 179.420 177.584 -0.276 0.000 1.186 44 A CA 1.634 53.587 52.037 -0.139 0.000 0.620 44 A CB -0.484 18.382 19.000 -0.223 0.000 0.822 44 A HN 0.189 nan 8.150 nan 0.000 0.443 45 E N -1.786 118.157 120.200 -0.429 0.000 2.153 45 E HA -0.189 4.162 4.350 0.001 0.000 0.194 45 E C 1.746 178.138 176.600 -0.346 0.000 0.988 45 E CA 1.234 57.139 56.400 -0.825 0.000 0.811 45 E CB -0.282 28.817 29.700 -1.002 0.000 0.746 45 E HN 0.777 nan 8.360 nan 0.000 0.466 46 Y N 0.909 121.153 120.300 -0.093 0.000 2.097 46 Y HA -0.292 4.259 4.550 0.001 0.000 0.282 46 Y C 2.100 177.924 175.900 -0.126 0.000 1.152 46 Y CA 1.451 59.541 58.100 -0.017 0.000 1.136 46 Y CB -0.391 38.075 38.460 0.010 0.000 0.975 46 Y HN -0.171 nan 8.280 nan 0.000 0.498 47 V N 0.728 120.632 119.914 -0.016 0.000 2.324 47 V HA -0.365 3.755 4.120 0.001 0.000 0.250 47 V C 2.495 178.419 176.094 -0.284 0.000 1.060 47 V CA 2.194 64.430 62.300 -0.106 0.000 1.042 47 V CB -0.877 30.929 31.823 -0.029 0.000 0.650 47 V HN 0.477 nan 8.190 nan 0.000 0.450 48 L N -0.976 120.065 121.223 -0.302 0.000 2.056 48 L HA -0.154 4.186 4.340 0.001 0.000 0.207 48 L C 2.474 179.315 176.870 -0.049 0.000 1.078 48 L CA 1.213 55.925 54.840 -0.212 0.000 0.749 48 L CB -0.607 41.344 42.059 -0.180 0.000 0.901 48 L HN 0.352 nan 8.230 nan 0.000 0.433 49 L N -0.273 120.897 121.223 -0.089 0.000 2.043 49 L HA -0.257 4.084 4.340 0.001 0.000 0.212 49 L C 2.523 179.241 176.870 -0.252 0.000 1.075 49 L CA 1.851 56.637 54.840 -0.089 0.000 0.752 49 L CB -0.693 41.153 42.059 -0.355 0.000 0.891 49 L HN 0.249 nan 8.230 nan 0.000 0.432 50 C N -0.837 118.249 119.300 -0.357 0.000 2.425 50 C HA -0.162 4.298 4.460 0.001 0.000 0.277 50 C C 2.712 177.588 174.990 -0.189 0.000 1.280 50 C CA 0.973 59.823 59.018 -0.281 0.000 1.744 50 C CB -1.375 26.203 27.740 -0.269 0.000 1.989 50 C HN 0.826 nan 8.230 nan 0.000 0.491 51 H N 0.712 119.631 119.070 -0.251 0.000 2.357 51 H HA -0.043 4.513 4.556 0.001 0.000 0.301 51 H C 1.953 177.170 175.328 -0.185 0.000 1.082 51 H CA 1.671 57.607 56.048 -0.187 0.000 1.342 51 H CB -0.205 29.331 29.762 -0.377 0.000 1.389 51 H HN 0.239 nan 8.280 nan 0.000 0.511 52 I N 0.578 120.897 120.570 -0.419 0.000 2.226 52 I HA -0.205 3.966 4.170 0.001 0.000 0.245 52 I C 1.981 177.684 176.117 -0.690 0.000 1.100 52 I CA 1.113 61.991 61.300 -0.704 0.000 1.374 52 I CB -0.913 36.774 38.000 -0.523 0.000 1.057 52 I HN 0.371 nan 8.210 nan 0.000 0.413 53 L N 0.216 121.172 121.223 -0.444 0.000 2.599 53 L HA -0.018 4.323 4.340 0.001 0.000 0.230 53 L C 0.291 176.952 176.870 -0.349 0.000 1.141 53 L CA 0.099 54.715 54.840 -0.374 0.000 0.877 53 L CB -0.586 41.257 42.059 -0.359 0.000 1.009 53 L HN 0.249 nan 8.230 nan 0.000 0.447 54 D N 1.856 122.061 120.400 -0.325 0.000 2.686 54 D HA -0.230 4.410 4.640 0.001 0.000 0.235 54 D C 0.229 176.416 176.300 -0.189 0.000 1.160 54 D CA 0.732 54.601 54.000 -0.218 0.000 0.645 54 D CB -0.312 40.382 40.800 -0.177 0.000 1.039 54 D HN 0.340 nan 8.370 nan 0.000 0.423 55 R N -0.057 120.319 120.500 -0.207 0.000 2.738 55 R HA 0.309 4.650 4.340 0.001 0.000 0.280 55 R C -0.794 175.490 176.300 -0.026 0.000 1.456 55 R CA -0.641 55.355 56.100 -0.174 0.000 1.612 55 R CB 1.229 31.257 30.300 -0.453 0.000 1.286 55 R HN -0.033 nan 8.270 nan 0.000 0.660 56 V N 1.395 121.321 119.914 0.019 0.000 2.406 56 V HA 0.104 4.225 4.120 0.001 0.000 0.272 56 V C -0.004 176.133 176.094 0.071 0.000 1.043 56 V CA -0.487 61.860 62.300 0.077 0.000 0.915 56 V CB 1.555 33.467 31.823 0.149 0.000 0.988 56 V HN 0.342 nan 8.190 nan 0.000 0.466 57 D N 4.714 125.157 120.400 0.072 0.000 2.454 57 D HA 0.273 4.913 4.640 0.001 0.000 0.225 57 D C 1.282 177.598 176.300 0.028 0.000 1.081 57 D CA -0.554 53.474 54.000 0.047 0.000 0.864 57 D CB 0.847 41.670 40.800 0.040 0.000 1.040 57 D HN 0.201 nan 8.370 nan 0.000 0.517 58 R N 2.568 123.085 120.500 0.027 0.000 2.140 58 R HA -0.195 4.146 4.340 0.001 0.000 0.250 58 R C 1.208 177.513 176.300 0.009 0.000 1.150 58 R CA 1.294 57.406 56.100 0.020 0.000 0.966 58 R CB -0.426 29.882 30.300 0.014 0.000 0.869 58 R HN 0.671 nan 8.270 nan 0.000 0.445 59 D N -0.118 120.280 120.400 -0.003 0.000 2.117 59 D HA -0.170 4.470 4.640 0.001 0.000 0.198 59 D C 1.920 178.192 176.300 -0.047 0.000 0.982 59 D CA 0.981 54.971 54.000 -0.016 0.000 0.828 59 D CB 0.137 40.926 40.800 -0.018 0.000 0.967 59 D HN 0.004 nan 8.370 nan 0.000 0.464 60 R N 0.230 120.674 120.500 -0.093 0.000 2.081 60 R HA -0.072 4.268 4.340 0.001 0.000 0.235 60 R C 2.352 178.579 176.300 -0.122 0.000 1.131 60 R CA 1.136 57.106 56.100 -0.217 0.000 0.960 60 R CB -0.597 29.521 30.300 -0.302 0.000 0.856 60 R HN 0.139 nan 8.270 nan 0.000 0.436 61 M N 0.744 120.332 119.600 -0.020 0.000 2.106 61 M HA -0.148 4.333 4.480 0.001 0.000 0.259 61 M C 1.863 178.201 176.300 0.063 0.000 1.068 61 M CA 1.581 56.912 55.300 0.052 0.000 1.100 61 M CB -0.945 31.703 32.600 0.080 0.000 1.351 61 M HN 0.149 nan 8.290 nan 0.000 0.404 62 E N 0.813 121.039 120.200 0.043 0.000 2.058 62 E HA -0.158 4.193 4.350 0.001 0.000 0.194 62 E C 2.006 178.661 176.600 0.093 0.000 0.997 62 E CA 1.322 57.759 56.400 0.062 0.000 0.801 62 E CB -0.221 29.505 29.700 0.042 0.000 0.746 62 E HN 0.519 nan 8.360 nan 0.000 0.450 63 K N 0.153 120.595 120.400 0.069 0.000 2.148 63 K HA -0.029 4.292 4.320 0.001 0.000 0.204 63 K C 2.297 179.024 176.600 0.212 0.000 1.050 63 K CA 0.811 57.170 56.287 0.119 0.000 0.942 63 K CB -0.077 32.470 32.500 0.078 0.000 0.724 63 K HN 0.134 nan 8.250 nan 0.000 0.446 64 I N 0.615 121.298 120.570 0.187 0.000 2.315 64 I HA -0.243 3.928 4.170 0.001 0.000 0.248 64 I C 2.671 178.977 176.117 0.315 0.000 1.117 64 I CA 0.946 62.417 61.300 0.287 0.000 1.404 64 I CB -0.184 37.948 38.000 0.220 0.000 1.071 64 I HN 0.179 nan 8.210 nan 0.000 0.419 65 R N 1.119 121.753 120.500 0.224 0.000 2.073 65 R HA -0.149 4.191 4.340 0.001 0.000 0.234 65 R C 2.499 178.945 176.300 0.244 0.000 1.134 65 R CA 1.340 57.561 56.100 0.203 0.000 0.952 65 R CB -0.085 30.299 30.300 0.140 0.000 0.850 65 R HN 0.254 nan 8.270 nan 0.000 0.433 66 R N -0.676 119.980 120.500 0.261 0.000 2.096 66 R HA -0.234 4.106 4.340 0.001 0.000 0.240 66 R C 2.304 178.862 176.300 0.430 0.000 1.139 66 R CA 2.083 58.370 56.100 0.311 0.000 0.952 66 R CB -0.713 29.790 30.300 0.338 0.000 0.854 66 R HN 0.355 nan 8.270 nan 0.000 0.436 67 Y N 1.653 122.169 120.300 0.360 0.000 2.145 67 Y HA -0.200 4.351 4.550 0.001 0.000 0.286 67 Y C 2.044 178.161 175.900 0.362 0.000 1.145 67 Y CA 1.465 59.801 58.100 0.393 0.000 1.148 67 Y CB -0.464 38.159 38.460 0.271 0.000 0.981 67 Y HN -0.047 nan 8.280 nan 0.000 0.507 68 L N -0.687 120.674 121.223 0.229 0.000 2.012 68 L HA -0.279 4.062 4.340 0.001 0.000 0.210 68 L C 2.418 179.504 176.870 0.361 0.000 1.073 68 L CA 0.995 55.953 54.840 0.197 0.000 0.748 68 L CB -0.786 41.409 42.059 0.227 0.000 0.891 68 L HN 0.305 nan 8.230 nan 0.000 0.431 69 L N -0.547 120.834 121.223 0.263 0.000 1.976 69 L HA -0.283 4.058 4.340 0.001 0.000 0.209 69 L C 2.538 179.419 176.870 0.018 0.000 1.071 69 L CA 2.115 57.039 54.840 0.140 0.000 0.746 69 L CB -1.753 40.360 42.059 0.091 0.000 0.890 69 L HN 0.377 nan 8.230 nan 0.000 0.432 70 H N -0.092 118.935 119.070 -0.072 0.000 2.437 70 H HA -0.200 4.357 4.556 0.001 0.000 0.296 70 H C 1.754 176.955 175.328 -0.212 0.000 1.121 70 H CA 1.900 57.822 56.048 -0.209 0.000 1.255 70 H CB 0.390 29.948 29.762 -0.340 0.000 1.366 70 H HN 0.299 nan 8.280 nan 0.000 0.512 71 E N 0.248 120.440 120.200 -0.013 0.000 2.447 71 E HA -0.028 4.323 4.350 0.001 0.000 0.195 71 E C 0.362 176.802 176.600 -0.268 0.000 1.028 71 E CA 0.058 56.432 56.400 -0.044 0.000 0.876 71 E CB 0.138 29.829 29.700 -0.014 0.000 0.885 71 E HN 0.642 nan 8.360 nan 0.000 0.500 72 Q N 1.255 120.728 119.800 -0.546 0.000 2.352 72 Q HA 0.137 4.478 4.340 0.001 0.000 0.260 72 Q C -0.401 175.201 176.000 -0.664 0.000 0.976 72 Q CA -0.092 55.005 55.803 -1.176 0.000 0.881 72 Q CB 0.656 28.683 28.738 -1.185 0.000 1.235 72 Q HN -0.135 nan 8.270 nan 0.000 0.419 73 R N 1.485 121.616 120.500 -0.615 0.000 2.549 73 R HA 0.128 4.469 4.340 0.001 0.000 0.259 73 R C 1.101 177.196 176.300 -0.341 0.000 1.095 73 R CA -0.392 55.469 56.100 -0.398 0.000 1.148 73 R CB 0.371 30.473 30.300 -0.330 0.000 1.181 73 R HN 0.698 nan 8.270 nan 0.000 0.571 74 E N 0.852 120.902 120.200 -0.251 0.000 2.130 74 E HA -0.255 4.096 4.350 0.001 0.000 0.196 74 E C 0.849 177.338 176.600 -0.185 0.000 0.998 74 E CA 2.033 58.315 56.400 -0.196 0.000 0.806 74 E CB -0.071 29.540 29.700 -0.149 0.000 0.738 74 E HN 0.633 nan 8.360 nan 0.000 0.459 75 D N -0.941 119.338 120.400 -0.202 0.000 2.348 75 D HA -0.032 4.609 4.640 0.001 0.000 0.216 75 D C 1.281 177.464 176.300 -0.195 0.000 0.970 75 D CA 0.937 54.831 54.000 -0.176 0.000 0.889 75 D CB -0.095 40.588 40.800 -0.195 0.000 0.912 75 D HN 0.254 nan 8.370 nan 0.000 0.524 76 G N -0.429 108.199 108.800 -0.286 0.000 2.141 76 G HA2 -0.215 3.745 3.960 0.001 0.000 0.231 76 G HA3 -0.215 3.745 3.960 0.001 0.000 0.231 76 G C 0.383 175.029 174.900 -0.423 0.000 0.984 76 G CA 0.444 45.349 45.100 -0.324 0.000 0.660 76 G HN 0.830 nan 8.290 nan 0.000 0.525 77 T N -2.911 111.358 114.554 -0.476 0.000 2.938 77 T HA 0.762 5.113 4.350 0.001 0.000 0.285 77 T C -0.156 174.313 174.700 -0.385 0.000 1.028 77 T CA -0.897 60.996 62.100 -0.344 0.000 1.005 77 T CB 2.315 70.852 68.868 -0.551 0.000 1.157 77 T HN 0.468 nan 8.240 nan 0.000 0.550 78 W N -0.365 120.848 121.300 -0.145 0.000 2.882 78 W HA 0.688 5.349 4.660 0.001 0.000 0.345 78 W C -0.139 176.310 176.519 -0.117 0.000 1.125 78 W CA -1.234 56.044 57.345 -0.113 0.000 1.167 78 W CB 2.458 31.888 29.460 -0.050 0.000 1.431 78 W HN 1.072 nan 8.180 nan 0.000 0.543 79 A N 0.968 123.849 122.820 0.102 0.000 2.437 79 A HA 0.641 4.962 4.320 0.001 0.000 0.288 79 A C 0.268 177.880 177.584 0.048 0.000 1.201 79 A CA -0.582 51.446 52.037 -0.014 0.000 0.795 79 A CB 1.178 20.038 19.000 -0.234 0.000 1.359 79 A HN 0.698 nan 8.150 nan 0.000 0.435 80 L N -0.923 120.340 121.223 0.066 0.000 2.240 80 L HA 0.106 4.447 4.340 0.001 0.000 0.211 80 L C -0.021 177.059 176.870 0.349 0.000 1.106 80 L CA 0.982 55.991 54.840 0.281 0.000 0.793 80 L CB -0.449 41.923 42.059 0.523 0.000 0.927 80 L HN 0.765 nan 8.230 nan 0.000 0.446 81 Y N -3.072 117.229 120.300 0.001 0.000 2.571 81 Y HA 0.572 5.122 4.550 0.001 0.000 0.341 81 Y C -2.886 172.808 175.900 -0.342 0.000 1.076 81 Y CA -3.918 54.008 58.100 -0.290 0.000 1.029 81 Y CB -0.283 38.037 38.460 -0.234 0.000 1.308 81 Y HN -0.227 nan 8.280 nan 0.000 0.461 82 P HA 0.155 nan 4.420 nan 0.000 0.260 82 P C 0.755 177.957 177.300 -0.163 0.000 1.185 82 P CA 1.789 64.697 63.100 -0.320 0.000 0.763 82 P CB 0.743 32.221 31.700 -0.370 0.000 0.776 83 G N 2.051 110.737 108.800 -0.190 0.000 2.143 83 G HA2 -0.136 3.825 3.960 0.001 0.000 0.249 83 G HA3 -0.136 3.825 3.960 0.001 0.000 0.249 83 G C 0.412 175.184 174.900 -0.214 0.000 0.981 83 G CA -0.203 44.837 45.100 -0.100 0.000 0.665 83 G HN 0.906 nan 8.290 nan 0.000 0.528 84 G N -0.145 108.323 108.800 -0.553 0.000 2.488 84 G HA2 0.791 4.751 3.960 0.001 0.000 0.318 84 G HA3 0.791 4.751 3.960 0.001 0.000 0.318 84 G C -1.633 172.990 174.900 -0.461 0.000 1.188 84 G CA -0.780 43.786 45.100 -0.890 0.000 0.944 84 G HN 0.234 nan 8.290 nan 0.000 0.495 85 P HA 0.169 nan 4.420 nan 0.000 0.269 85 P C -2.544 174.671 177.300 -0.142 0.000 1.217 85 P CA -0.857 62.163 63.100 -0.134 0.000 0.783 85 P CB 0.346 32.040 31.700 -0.011 0.000 0.898 86 P HA 0.068 nan 4.420 nan 0.000 0.271 86 P C -0.492 176.826 177.300 0.030 0.000 1.216 86 P CA 0.385 63.344 63.100 -0.235 0.000 0.771 86 P CB 0.786 32.042 31.700 -0.739 0.000 0.864 87 D N 2.703 123.170 120.400 0.112 0.000 2.217 87 D HA 0.081 4.722 4.640 0.001 0.000 0.243 87 D C 0.833 177.352 176.300 0.366 0.000 1.054 87 D CA -0.582 53.564 54.000 0.245 0.000 0.838 87 D CB 1.785 42.715 40.800 0.217 0.000 1.162 87 D HN 0.074 nan 8.370 nan 0.000 0.472 88 L N 4.666 126.112 121.223 0.371 0.000 2.007 88 L HA -0.087 4.253 4.340 0.001 0.000 0.205 88 L C 1.599 178.583 176.870 0.190 0.000 1.073 88 L CA 1.731 56.757 54.840 0.310 0.000 0.744 88 L CB -0.466 41.663 42.059 0.117 0.000 0.898 88 L HN 0.447 nan 8.230 nan 0.000 0.435 89 D N -0.796 119.692 120.400 0.147 0.000 2.106 89 D HA -0.219 4.422 4.640 0.001 0.000 0.191 89 D C 1.951 178.292 176.300 0.069 0.000 0.997 89 D CA 2.228 56.281 54.000 0.089 0.000 0.834 89 D CB -0.557 40.306 40.800 0.106 0.000 0.956 89 D HN 0.402 nan 8.370 nan 0.000 0.448 90 T N 0.824 115.444 114.554 0.110 0.000 2.652 90 T HA -0.139 4.212 4.350 0.001 0.000 0.267 90 T C 2.128 176.815 174.700 -0.020 0.000 1.039 90 T CA 2.033 64.163 62.100 0.049 0.000 1.153 90 T CB -0.639 68.302 68.868 0.121 0.000 0.863 90 T HN 0.174 nan 8.240 nan 0.000 0.428 91 T N 2.058 116.703 114.554 0.150 0.000 2.746 91 T HA 0.019 4.370 4.350 0.001 0.000 0.267 91 T C 2.002 176.775 174.700 0.121 0.000 1.039 91 T CA 0.929 63.176 62.100 0.245 0.000 1.142 91 T CB -0.453 68.723 68.868 0.513 0.000 0.866 91 T HN 0.318 nan 8.240 nan 0.000 0.444 92 I N 0.898 121.524 120.570 0.093 0.000 2.208 92 I HA -0.191 3.979 4.170 0.001 0.000 0.245 92 I C 2.647 178.777 176.117 0.021 0.000 1.097 92 I CA 1.492 62.815 61.300 0.039 0.000 1.363 92 I CB -0.367 37.618 38.000 -0.024 0.000 1.051 92 I HN 0.340 nan 8.210 nan 0.000 0.413 93 E N 0.762 120.924 120.200 -0.063 0.000 2.072 93 E HA -0.183 4.168 4.350 0.001 0.000 0.191 93 E C 2.352 178.829 176.600 -0.204 0.000 0.985 93 E CA 1.188 57.509 56.400 -0.132 0.000 0.801 93 E CB -0.175 29.416 29.700 -0.181 0.000 0.750 93 E HN 0.508 nan 8.360 nan 0.000 0.452 94 A N 0.788 123.380 122.820 -0.381 0.000 1.933 94 A HA -0.221 4.100 4.320 0.001 0.000 0.218 94 A C 1.990 179.360 177.584 -0.356 0.000 1.175 94 A CA 1.302 52.947 52.037 -0.654 0.000 0.628 94 A CB -0.748 17.174 19.000 -1.797 0.000 0.814 94 A HN 0.388 nan 8.150 nan 0.000 0.444 95 Y N 0.793 120.935 120.300 -0.262 0.000 2.049 95 Y HA -0.246 4.305 4.550 0.001 0.000 0.277 95 Y C 2.414 178.305 175.900 -0.014 0.000 1.143 95 Y CA 2.369 60.453 58.100 -0.026 0.000 1.115 95 Y CB -0.492 37.995 38.460 0.046 0.000 0.975 95 Y HN 0.068 nan 8.280 nan 0.000 0.487 96 V N 0.724 120.721 119.914 0.137 0.000 2.332 96 V HA -0.381 3.739 4.120 0.001 0.000 0.248 96 V C 2.671 178.749 176.094 -0.027 0.000 1.055 96 V CA 1.837 64.174 62.300 0.061 0.000 1.038 96 V CB -1.807 30.059 31.823 0.072 0.000 0.651 96 V HN 0.614 nan 8.190 nan 0.000 0.450 97 A N -0.001 122.780 122.820 -0.065 0.000 1.865 97 A HA -0.210 4.110 4.320 0.001 0.000 0.217 97 A C 2.242 179.835 177.584 0.015 0.000 1.191 97 A CA 2.176 54.189 52.037 -0.040 0.000 0.623 97 A CB -0.651 18.301 19.000 -0.080 0.000 0.826 97 A HN 0.500 nan 8.150 nan 0.000 0.444 98 L N -0.874 120.320 121.223 -0.049 0.000 2.046 98 L HA -0.212 4.129 4.340 0.001 0.000 0.208 98 L C 2.659 179.487 176.870 -0.070 0.000 1.077 98 L CA 1.992 56.812 54.840 -0.034 0.000 0.747 98 L CB -0.423 41.612 42.059 -0.039 0.000 0.896 98 L HN 0.480 nan 8.230 nan 0.000 0.432 99 K N -0.645 119.654 120.400 -0.168 0.000 2.147 99 K HA -0.259 4.061 4.320 0.001 0.000 0.205 99 K C 2.222 178.803 176.600 -0.031 0.000 1.049 99 K CA 1.477 57.678 56.287 -0.143 0.000 0.936 99 K CB -0.203 32.177 32.500 -0.200 0.000 0.722 99 K HN 0.188 nan 8.250 nan 0.000 0.446 100 Y N 1.081 121.325 120.300 -0.092 0.000 2.184 100 Y HA -0.093 4.458 4.550 0.001 0.000 0.290 100 Y C 1.630 177.504 175.900 -0.044 0.000 1.129 100 Y CA 1.551 59.608 58.100 -0.072 0.000 1.144 100 Y CB -0.012 38.396 38.460 -0.086 0.000 0.995 100 Y HN -0.016 nan 8.280 nan 0.000 0.513 101 I N -0.603 120.019 120.570 0.086 0.000 2.567 101 I HA -0.192 3.979 4.170 0.001 0.000 0.257 101 I C 2.009 178.090 176.117 -0.061 0.000 1.184 101 I CA 1.671 62.988 61.300 0.028 0.000 1.451 101 I CB -0.542 37.514 38.000 0.094 0.000 1.089 101 I HN 0.565 nan 8.210 nan 0.000 0.441 102 G N -0.570 108.188 108.800 -0.070 0.000 3.382 102 G HA2 -0.085 3.875 3.960 0.001 0.000 0.214 102 G HA3 -0.085 3.875 3.960 0.001 0.000 0.214 102 G C 0.424 175.297 174.900 -0.045 0.000 1.025 102 G CA -0.613 44.447 45.100 -0.067 0.000 0.869 102 G HN 0.037 nan 8.290 nan 0.000 0.458 103 M N 3.126 122.705 119.600 -0.035 0.000 2.260 103 M HA 0.303 4.784 4.480 0.001 0.000 0.348 103 M C 0.916 177.191 176.300 -0.043 0.000 1.342 103 M CA 0.541 55.823 55.300 -0.031 0.000 1.040 103 M CB 0.555 33.139 32.600 -0.028 0.000 1.810 103 M HN 0.502 nan 8.290 nan 0.000 0.453 104 S N 2.864 118.554 115.700 -0.018 0.000 2.584 104 S HA 0.292 4.762 4.470 0.001 0.000 0.273 104 S C 0.904 175.511 174.600 0.011 0.000 1.311 104 S CA -0.994 57.204 58.200 -0.003 0.000 1.034 104 S CB 0.934 64.140 63.200 0.009 0.000 0.939 104 S HN 0.822 nan 8.310 nan 0.000 0.513 105 R N 0.637 121.162 120.500 0.040 0.000 2.377 105 R HA -0.055 4.286 4.340 0.001 0.000 0.207 105 R C -0.068 176.292 176.300 0.100 0.000 1.075 105 R CA 1.144 57.304 56.100 0.100 0.000 1.035 105 R CB -0.578 29.816 30.300 0.156 0.000 0.857 105 R HN 0.585 nan 8.270 nan 0.000 0.475 106 D N 1.681 122.119 120.400 0.064 0.000 2.214 106 D HA -0.060 4.580 4.640 0.001 0.000 0.217 106 D C 0.004 176.335 176.300 0.051 0.000 0.973 106 D CA 0.297 54.330 54.000 0.055 0.000 0.880 106 D CB -0.346 40.478 40.800 0.039 0.000 1.031 106 D HN 0.270 nan 8.370 nan 0.000 0.468 107 E N 1.826 122.049 120.200 0.038 0.000 3.513 107 E HA -0.214 4.137 4.350 0.001 0.000 0.295 107 E C 0.866 177.488 176.600 0.037 0.000 0.838 107 E CA 0.326 56.745 56.400 0.031 0.000 0.995 107 E CB 0.689 30.404 29.700 0.025 0.000 0.968 107 E HN 0.192 nan 8.360 nan 0.000 0.532 108 E N 4.533 124.746 120.200 0.021 0.000 2.132 108 E HA -0.233 4.117 4.350 0.001 0.000 0.218 108 E C -0.954 175.656 176.600 0.016 0.000 1.058 108 E CA 2.677 59.084 56.400 0.012 0.000 0.882 108 E CB -0.831 28.864 29.700 -0.008 0.000 0.774 108 E HN 0.420 nan 8.360 nan 0.000 0.467 109 P HA -0.173 nan 4.420 nan 0.000 0.214 109 P C 1.455 178.810 177.300 0.092 0.000 1.163 109 P CA 1.858 64.964 63.100 0.009 0.000 0.883 109 P CB -0.113 31.592 31.700 0.009 0.000 0.788 110 M N -1.062 118.613 119.600 0.124 0.000 2.144 110 M HA -0.189 4.292 4.480 0.001 0.000 0.260 110 M C 2.046 178.511 176.300 0.275 0.000 1.067 110 M CA 1.747 57.184 55.300 0.227 0.000 1.095 110 M CB -1.792 30.884 32.600 0.126 0.000 1.365 110 M HN 0.042 nan 8.290 nan 0.000 0.406 111 Q N 0.824 120.718 119.800 0.157 0.000 2.002 111 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 111 Q C 2.103 178.171 176.000 0.113 0.000 0.988 111 Q CA 1.553 57.430 55.803 0.123 0.000 0.843 111 Q CB -0.472 28.310 28.738 0.074 0.000 0.908 111 Q HN 0.560 nan 8.270 nan 0.000 0.420 112 K N 0.330 120.779 120.400 0.082 0.000 2.044 112 K HA -0.152 4.169 4.320 0.001 0.000 0.210 112 K C 2.114 178.783 176.600 0.115 0.000 1.049 112 K CA 1.398 57.721 56.287 0.061 0.000 0.927 112 K CB -0.266 32.230 32.500 -0.006 0.000 0.713 112 K HN 0.168 nan 8.250 nan 0.000 0.443 113 A N 1.788 124.707 122.820 0.165 0.000 1.858 113 A HA -0.158 4.163 4.320 0.001 0.000 0.216 113 A C 2.185 179.901 177.584 0.219 0.000 1.190 113 A CA 1.178 53.380 52.037 0.275 0.000 0.617 113 A CB -0.760 18.521 19.000 0.469 0.000 0.827 113 A HN 0.253 nan 8.150 nan 0.000 0.443 114 L N -0.983 120.321 121.223 0.135 0.000 2.013 114 L HA -0.244 4.097 4.340 0.001 0.000 0.212 114 L C 2.906 179.771 176.870 -0.010 0.000 1.073 114 L CA 1.715 56.522 54.840 -0.057 0.000 0.753 114 L CB -0.294 41.767 42.059 0.003 0.000 0.890 114 L HN 0.404 nan 8.230 nan 0.000 0.432 115 R N -1.349 119.186 120.500 0.059 0.000 2.092 115 R HA -0.207 4.133 4.340 0.001 0.000 0.231 115 R C 2.204 178.545 176.300 0.069 0.000 1.119 115 R CA 1.701 57.831 56.100 0.050 0.000 0.970 115 R CB -0.379 29.959 30.300 0.063 0.000 0.864 115 R HN 0.315 nan 8.270 nan 0.000 0.440 116 F N 1.585 121.535 119.950 -0.001 0.000 2.075 116 F HA -0.179 4.349 4.527 0.001 0.000 0.297 116 F C 1.918 177.716 175.800 -0.003 0.000 1.113 116 F CA 1.388 59.392 58.000 0.006 0.000 1.218 116 F CB -0.416 38.598 39.000 0.023 0.000 0.984 116 F HN -0.125 nan 8.300 nan 0.000 0.472 117 I N 0.471 120.943 120.570 -0.164 0.000 2.151 117 I HA -0.395 3.776 4.170 0.001 0.000 0.243 117 I C 2.461 178.406 176.117 -0.286 0.000 1.080 117 I CA 1.870 62.997 61.300 -0.289 0.000 1.339 117 I CB -0.768 37.127 38.000 -0.176 0.000 1.039 117 I HN 0.330 nan 8.210 nan 0.000 0.409 118 Q N 0.348 120.037 119.800 -0.185 0.000 2.084 118 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 118 Q C 2.318 178.236 176.000 -0.136 0.000 0.978 118 Q CA 1.979 57.703 55.803 -0.130 0.000 0.844 118 Q CB -0.323 28.372 28.738 -0.073 0.000 0.898 118 Q HN 0.619 nan 8.270 nan 0.000 0.426 119 S N 0.275 115.882 115.700 -0.154 0.000 2.537 119 S HA -0.121 4.350 4.470 0.001 0.000 0.240 119 S C 1.570 176.063 174.600 -0.180 0.000 0.981 119 S CA 0.772 58.896 58.200 -0.128 0.000 0.948 119 S CB 0.058 63.210 63.200 -0.080 0.000 0.759 119 S HN 0.237 nan 8.310 nan 0.000 0.531 120 Q N 0.142 119.775 119.800 -0.279 0.000 2.319 120 Q HA 0.309 4.650 4.340 0.001 0.000 0.209 120 Q C 1.306 177.220 176.000 -0.143 0.000 0.884 120 Q CA 0.713 56.361 55.803 -0.257 0.000 0.938 120 Q CB 0.729 29.202 28.738 -0.442 0.000 1.098 120 Q HN 0.789 nan 8.270 nan 0.000 0.517 121 G N 0.030 108.761 108.800 -0.115 0.000 2.143 121 G HA2 -0.039 3.921 3.960 0.001 0.000 0.175 121 G HA3 -0.039 3.921 3.960 0.001 0.000 0.175 121 G C 0.586 175.455 174.900 -0.052 0.000 1.004 121 G CA 0.097 45.163 45.100 -0.057 0.000 0.671 121 G HN 0.650 nan 8.290 nan 0.000 0.512 122 G N -0.437 108.305 108.800 -0.097 0.000 2.601 122 G HA2 -0.171 3.790 3.960 0.001 0.000 0.261 122 G HA3 -0.171 3.790 3.960 0.001 0.000 0.261 122 G C 1.148 175.977 174.900 -0.119 0.000 1.289 122 G CA 0.325 45.360 45.100 -0.108 0.000 0.920 122 G HN 1.339 nan 8.290 nan 0.000 0.571 123 I N 0.499 120.969 120.570 -0.168 0.000 2.454 123 I HA -0.090 4.081 4.170 0.001 0.000 0.254 123 I C 2.341 178.396 176.117 -0.103 0.000 1.156 123 I CA 2.054 63.235 61.300 -0.198 0.000 1.433 123 I CB -0.186 37.592 38.000 -0.369 0.000 1.082 123 I HN 0.553 nan 8.210 nan 0.000 0.432 124 E N 0.445 120.658 120.200 0.021 0.000 2.463 124 E HA -0.108 4.243 4.350 0.001 0.000 0.201 124 E C 1.796 178.414 176.600 0.030 0.000 1.045 124 E CA 0.588 57.043 56.400 0.092 0.000 0.872 124 E CB 0.011 29.803 29.700 0.153 0.000 0.797 124 E HN 0.425 nan 8.360 nan 0.000 0.538 125 S N 0.302 115.993 115.700 -0.014 0.000 2.540 125 S HA 0.039 4.510 4.470 0.001 0.000 0.218 125 S C 0.711 175.301 174.600 -0.018 0.000 0.977 125 S CA -0.237 57.956 58.200 -0.012 0.000 0.918 125 S CB 0.393 63.577 63.200 -0.027 0.000 0.806 125 S HN 0.211 nan 8.310 nan 0.000 0.496 126 S N 2.319 117.990 115.700 -0.049 0.000 2.652 126 S HA 0.506 4.976 4.470 0.001 0.000 0.270 126 S C 0.221 174.792 174.600 -0.049 0.000 1.243 126 S CA -1.114 57.060 58.200 -0.043 0.000 0.999 126 S CB 0.720 63.873 63.200 -0.079 0.000 0.973 126 S HN 0.535 nan 8.310 nan 0.000 0.544 127 R N 0.408 120.899 120.500 -0.016 0.000 2.861 127 R HA 0.215 4.556 4.340 0.001 0.000 0.268 127 R C 0.794 177.017 176.300 -0.128 0.000 1.027 127 R CA -0.574 55.502 56.100 -0.041 0.000 1.163 127 R CB -0.293 30.018 30.300 0.020 0.000 1.060 127 R HN 0.378 nan 8.270 nan 0.000 0.483 128 V N 0.652 120.424 119.914 -0.236 0.000 2.252 128 V HA -0.299 3.822 4.120 0.001 0.000 0.249 128 V C 2.181 178.139 176.094 -0.227 0.000 1.056 128 V CA 1.970 64.080 62.300 -0.317 0.000 1.022 128 V CB -0.921 30.529 31.823 -0.621 0.000 0.641 128 V HN 0.676 nan 8.190 nan 0.000 0.445 129 F N 1.021 120.830 119.950 -0.235 0.000 2.063 129 F HA -0.240 4.288 4.527 0.001 0.000 0.298 129 F C 2.694 178.515 175.800 0.035 0.000 1.109 129 F CA 2.092 60.030 58.000 -0.104 0.000 1.212 129 F CB -1.759 37.195 39.000 -0.076 0.000 0.973 129 F HN 0.114 nan 8.300 nan 0.000 0.480 130 T N -0.233 114.432 114.554 0.185 0.000 2.684 130 T HA -0.223 4.127 4.350 0.001 0.000 0.267 130 T C 2.125 176.809 174.700 -0.026 0.000 1.036 130 T CA 1.670 63.828 62.100 0.096 0.000 1.148 130 T CB -0.280 68.584 68.868 -0.007 0.000 0.863 130 T HN 0.195 nan 8.240 nan 0.000 0.436 131 R N 0.187 120.568 120.500 -0.200 0.000 2.115 131 R HA 0.141 4.482 4.340 0.001 0.000 0.226 131 R C 2.533 178.655 176.300 -0.297 0.000 1.100 131 R CA 0.920 56.721 56.100 -0.498 0.000 0.980 131 R CB -0.282 29.521 30.300 -0.828 0.000 0.875 131 R HN 0.411 nan 8.270 nan 0.000 0.445 132 M N -0.512 118.995 119.600 -0.155 0.000 2.099 132 M HA -0.172 4.309 4.480 0.001 0.000 0.262 132 M C 1.402 177.584 176.300 -0.197 0.000 1.067 132 M CA 1.753 56.918 55.300 -0.226 0.000 1.124 132 M CB -0.143 32.394 32.600 -0.104 0.000 1.353 132 M HN 0.166 nan 8.290 nan 0.000 0.410 133 W N 0.923 122.197 121.300 -0.044 0.000 2.318 133 W HA -0.224 4.437 4.660 0.001 0.000 0.313 133 W C 2.117 178.614 176.519 -0.035 0.000 1.221 133 W CA 1.335 58.686 57.345 0.010 0.000 1.266 133 W CB -0.483 28.989 29.460 0.021 0.000 1.150 133 W HN 0.211 nan 8.180 nan 0.000 0.496 134 L N -0.358 120.955 121.223 0.150 0.000 2.083 134 L HA -0.221 4.120 4.340 0.001 0.000 0.209 134 L C 2.605 179.497 176.870 0.037 0.000 1.083 134 L CA 1.292 56.182 54.840 0.083 0.000 0.752 134 L CB -1.106 40.958 42.059 0.007 0.000 0.899 134 L HN 0.008 nan 8.230 nan 0.000 0.433 135 A N -0.128 122.610 122.820 -0.137 0.000 1.933 135 A HA -0.170 4.150 4.320 0.001 0.000 0.218 135 A C 2.247 179.646 177.584 -0.308 0.000 1.175 135 A CA 1.366 53.147 52.037 -0.426 0.000 0.628 135 A CB -0.654 17.665 19.000 -1.135 0.000 0.814 135 A HN 0.371 nan 8.150 nan 0.000 0.444 136 L N -0.155 121.001 121.223 -0.112 0.000 2.083 136 L HA -0.140 4.201 4.340 0.001 0.000 0.209 136 L C 2.212 179.291 176.870 0.349 0.000 1.083 136 L CA 1.501 56.483 54.840 0.237 0.000 0.752 136 L CB -0.291 41.914 42.059 0.244 0.000 0.899 136 L HN 0.465 nan 8.230 nan 0.000 0.433 137 V N -3.584 116.496 119.914 0.277 0.000 3.596 137 V HA 0.439 4.559 4.120 0.001 0.000 0.289 137 V C 1.184 177.411 176.094 0.221 0.000 1.336 137 V CA 0.287 62.770 62.300 0.304 0.000 1.137 137 V CB -0.422 31.536 31.823 0.225 0.000 0.966 137 V HN 0.482 nan 8.190 nan 0.000 0.428 138 G N 0.950 109.853 108.800 0.172 0.000 2.160 138 G HA2 -0.205 3.755 3.960 0.001 0.000 0.244 138 G HA3 -0.205 3.755 3.960 0.001 0.000 0.244 138 G C 0.253 175.240 174.900 0.145 0.000 1.022 138 G CA 0.460 45.647 45.100 0.144 0.000 0.741 138 G HN 0.559 nan 8.290 nan 0.000 0.508 139 E N -1.361 118.935 120.200 0.160 0.000 2.501 139 E HA 0.308 4.659 4.350 0.001 0.000 0.200 139 E C -0.262 176.533 176.600 0.325 0.000 1.016 139 E CA -0.183 56.343 56.400 0.209 0.000 0.921 139 E CB 0.556 30.355 29.700 0.166 0.000 1.034 139 E HN 0.669 nan 8.360 nan 0.000 0.468 140 Y N 0.918 121.264 120.300 0.078 0.000 2.521 140 Y HA 0.269 4.820 4.550 0.001 0.000 0.332 140 Y C -2.628 173.267 175.900 -0.009 0.000 1.121 140 Y CA -2.280 55.873 58.100 0.088 0.000 1.037 140 Y CB 2.004 40.474 38.460 0.016 0.000 1.330 140 Y HN -0.171 nan 8.280 nan 0.000 0.452 141 P HA 0.010 nan 4.420 nan 0.000 0.271 141 P C 0.074 177.323 177.300 -0.084 0.000 1.220 141 P CA 0.268 63.240 63.100 -0.212 0.000 0.768 141 P CB 0.889 32.418 31.700 -0.284 0.000 0.848 142 W N 1.916 123.242 121.300 0.044 0.000 2.425 142 W HA -0.119 4.542 4.660 0.001 0.000 0.277 142 W C 2.010 178.631 176.519 0.171 0.000 1.231 142 W CA 0.786 58.201 57.345 0.117 0.000 1.248 142 W CB -0.337 29.166 29.460 0.073 0.000 1.117 142 W HN 0.433 nan 8.180 nan 0.000 0.568 143 E N 0.202 120.602 120.200 0.333 0.000 2.209 143 E HA -0.185 4.166 4.350 0.001 0.000 0.196 143 E C 1.602 178.239 176.600 0.061 0.000 0.993 143 E CA 1.184 57.750 56.400 0.277 0.000 0.819 143 E CB -0.257 29.512 29.700 0.114 0.000 0.745 143 E HN 0.163 nan 8.360 nan 0.000 0.477 144 K N 0.320 120.751 120.400 0.052 0.000 2.444 144 K HA 0.122 4.443 4.320 0.001 0.000 0.193 144 K C -0.321 176.427 176.600 0.247 0.000 1.024 144 K CA 0.092 56.406 56.287 0.044 0.000 1.077 144 K CB 0.821 33.271 32.500 -0.084 0.000 0.833 144 K HN -0.008 nan 8.250 nan 0.000 0.517 145 V N 3.627 123.763 119.914 0.371 0.000 2.370 145 V HA 0.169 4.290 4.120 0.001 0.000 0.279 145 V C -2.330 174.043 176.094 0.465 0.000 1.029 145 V CA -2.341 60.189 62.300 0.384 0.000 0.870 145 V CB 1.052 33.090 31.823 0.359 0.000 0.984 145 V HN 0.013 nan 8.190 nan 0.000 0.451 146 P HA -0.024 nan 4.420 nan 0.000 0.263 146 P C -0.430 177.095 177.300 0.375 0.000 1.168 146 P CA 0.215 63.547 63.100 0.387 0.000 0.759 146 P CB 0.300 32.178 31.700 0.297 0.000 0.782 147 M N 4.405 124.159 119.600 0.257 0.000 2.264 147 M HA 0.372 4.852 4.480 0.001 0.000 0.352 147 M C -1.338 174.936 176.300 -0.042 0.000 1.173 147 M CA -0.212 55.093 55.300 0.008 0.000 1.075 147 M CB 1.083 33.533 32.600 -0.250 0.000 1.621 147 M HN -0.026 nan 8.290 nan 0.000 0.457 148 V N 7.948 127.767 119.914 -0.159 0.000 2.357 148 V HA 0.503 4.624 4.120 0.001 0.000 0.281 148 V C -2.253 173.694 176.094 -0.245 0.000 1.015 148 V CA -1.212 60.925 62.300 -0.271 0.000 0.827 148 V CB 1.193 32.694 31.823 -0.536 0.000 1.018 148 V HN 0.788 nan 8.190 nan 0.000 0.432 149 P HA 0.299 nan 4.420 nan 0.000 0.278 149 P C -2.460 174.719 177.300 -0.202 0.000 1.238 149 P CA -1.794 61.206 63.100 -0.166 0.000 0.794 149 P CB 1.679 33.341 31.700 -0.063 0.000 0.955 150 P HA -0.153 nan 4.420 nan 0.000 0.216 150 P C 1.161 178.282 177.300 -0.299 0.000 1.150 150 P CA 1.515 64.463 63.100 -0.254 0.000 0.837 150 P CB -0.075 31.491 31.700 -0.224 0.000 0.786 151 E N -0.611 119.477 120.200 -0.187 0.000 2.333 151 E HA -0.170 4.181 4.350 0.001 0.000 0.200 151 E C 1.802 178.318 176.600 -0.140 0.000 1.010 151 E CA 0.438 56.759 56.400 -0.132 0.000 0.841 151 E CB -1.176 28.638 29.700 0.190 0.000 0.757 151 E HN 0.304 nan 8.360 nan 0.000 0.508 152 I N -0.028 120.441 120.570 -0.168 0.000 2.423 152 I HA -0.280 3.891 4.170 0.001 0.000 0.254 152 I C 1.251 177.249 176.117 -0.199 0.000 1.151 152 I CA 0.956 62.167 61.300 -0.149 0.000 1.421 152 I CB 0.077 37.948 38.000 -0.216 0.000 1.079 152 I HN 0.151 nan 8.210 nan 0.000 0.431 153 M N -0.092 119.303 119.600 -0.342 0.000 2.446 153 M HA -0.164 4.317 4.480 0.001 0.000 0.263 153 M C 1.622 177.772 176.300 -0.249 0.000 1.066 153 M CA 1.416 56.492 55.300 -0.375 0.000 1.087 153 M CB -1.146 31.163 32.600 -0.485 0.000 1.406 153 M HN 0.239 nan 8.290 nan 0.000 0.459 154 F N -0.107 119.810 119.950 -0.055 0.000 2.664 154 F HA 0.168 4.695 4.527 0.001 0.000 0.296 154 F C 1.077 176.860 175.800 -0.029 0.000 1.125 154 F CA -0.503 57.472 58.000 -0.043 0.000 1.444 154 F CB -0.782 38.186 39.000 -0.053 0.000 1.114 154 F HN -0.064 nan 8.300 nan 0.000 0.576 155 L N 0.441 121.748 121.223 0.141 0.000 2.540 155 L HA 0.169 4.510 4.340 0.001 0.000 0.276 155 L C 1.244 178.171 176.870 0.095 0.000 1.212 155 L CA -0.162 54.735 54.840 0.095 0.000 0.893 155 L CB -0.331 41.768 42.059 0.067 0.000 1.138 155 L HN 0.123 nan 8.230 nan 0.000 0.491 156 G N 2.223 111.071 108.800 0.079 0.000 2.651 156 G HA2 0.119 4.080 3.960 0.001 0.000 0.260 156 G HA3 0.119 4.080 3.960 0.001 0.000 0.260 156 G C 0.670 175.624 174.900 0.089 0.000 1.216 156 G CA -0.542 44.603 45.100 0.075 0.000 0.913 156 G HN 0.762 nan 8.290 nan 0.000 0.535 157 K N -0.158 120.284 120.400 0.071 0.000 2.160 157 K HA -0.118 4.203 4.320 0.001 0.000 0.206 157 K C 1.297 177.934 176.600 0.060 0.000 1.047 157 K CA 1.177 57.499 56.287 0.060 0.000 0.930 157 K CB -0.009 32.478 32.500 -0.022 0.000 0.720 157 K HN 0.468 nan 8.250 nan 0.000 0.450 158 R N 0.933 121.458 120.500 0.042 0.000 3.194 158 R HA 0.322 4.663 4.340 0.001 0.000 0.306 158 R C -0.637 175.683 176.300 0.034 0.000 1.347 158 R CA 0.012 56.132 56.100 0.034 0.000 1.540 158 R CB -0.103 30.208 30.300 0.017 0.000 1.352 158 R HN 0.025 nan 8.270 nan 0.000 0.621 159 M N 1.733 121.362 119.600 0.048 0.000 2.550 159 M HA 0.443 4.924 4.480 0.001 0.000 0.292 159 M C -2.550 173.779 176.300 0.047 0.000 1.221 159 M CA -2.217 53.108 55.300 0.042 0.000 0.873 159 M CB 3.491 36.119 32.600 0.046 0.000 1.727 159 M HN -0.026 nan 8.290 nan 0.000 0.459 160 P HA 0.043 nan 4.420 nan 0.000 0.264 160 P C 0.023 177.358 177.300 0.057 0.000 1.193 160 P CA 0.402 63.526 63.100 0.040 0.000 0.763 160 P CB 0.465 32.188 31.700 0.040 0.000 0.810 161 L N -1.076 120.174 121.223 0.046 0.000 4.232 161 L HA -0.299 4.042 4.340 0.001 0.000 0.415 161 L C 0.702 177.682 176.870 0.184 0.000 1.168 161 L CA 0.524 55.427 54.840 0.106 0.000 0.966 161 L CB -2.173 39.961 42.059 0.125 0.000 2.052 161 L HN 0.587 nan 8.230 nan 0.000 0.887 162 N N 0.795 119.575 118.700 0.134 0.000 2.482 162 N HA 0.316 5.056 4.740 0.001 0.000 0.260 162 N C 1.401 176.985 175.510 0.123 0.000 1.236 162 N CA -0.040 53.075 53.050 0.107 0.000 0.938 162 N CB 0.510 39.076 38.487 0.132 0.000 1.128 162 N HN 0.347 nan 8.380 nan 0.000 0.448 163 I N -2.785 117.722 120.570 -0.105 0.000 2.623 163 I HA -0.232 3.939 4.170 0.001 0.000 0.261 163 I C 0.168 176.097 176.117 -0.314 0.000 1.204 163 I CA 1.214 62.298 61.300 -0.361 0.000 1.444 163 I CB -0.522 37.009 38.000 -0.781 0.000 1.094 163 I HN 0.466 nan 8.210 nan 0.000 0.451 164 Y N 1.443 121.786 120.300 0.072 0.000 2.461 164 Y HA 0.199 4.749 4.550 0.001 0.000 0.277 164 Y C 2.038 177.997 175.900 0.099 0.000 1.182 164 Y CA 0.159 58.317 58.100 0.097 0.000 1.276 164 Y CB -0.165 38.346 38.460 0.085 0.000 1.087 164 Y HN 0.289 nan 8.280 nan 0.000 0.519 165 E N -0.750 119.569 120.200 0.198 0.000 2.452 165 E HA 0.068 4.418 4.350 0.001 0.000 0.197 165 E C -0.382 176.170 176.600 -0.080 0.000 1.022 165 E CA 0.032 56.457 56.400 0.041 0.000 0.890 165 E CB 0.275 29.944 29.700 -0.052 0.000 0.918 165 E HN 0.193 nan 8.360 nan 0.000 0.496 166 F N 0.763 120.634 119.950 -0.131 0.000 2.380 166 F HA 0.381 4.909 4.527 0.001 0.000 0.321 166 F C 1.379 177.015 175.800 -0.274 0.000 1.103 166 F CA -0.691 57.186 58.000 -0.205 0.000 1.067 166 F CB 0.491 39.343 39.000 -0.246 0.000 1.265 166 F HN -0.222 nan 8.300 nan 0.000 0.517 167 G N 0.002 108.634 108.800 -0.280 0.000 2.527 167 G HA2 0.310 4.271 3.960 0.001 0.000 0.248 167 G HA3 0.310 4.271 3.960 0.001 0.000 0.248 167 G C 0.814 175.291 174.900 -0.705 0.000 1.231 167 G CA 0.054 44.729 45.100 -0.709 0.000 0.838 167 G HN 0.808 nan 8.290 nan 0.000 0.570 168 S N 0.565 115.966 115.700 -0.499 0.000 2.378 168 S HA -0.300 4.170 4.470 0.001 0.000 0.229 168 S C 1.978 176.380 174.600 -0.330 0.000 1.052 168 S CA 2.427 60.444 58.200 -0.306 0.000 1.084 168 S CB -0.954 62.041 63.200 -0.341 0.000 0.950 168 S HN 0.995 nan 8.310 nan 0.000 0.440 169 W N 2.436 123.675 121.300 -0.101 0.000 2.358 169 W HA 0.257 4.918 4.660 0.001 0.000 0.303 169 W C 2.486 179.059 176.519 0.089 0.000 1.208 169 W CA 0.732 58.074 57.345 -0.005 0.000 1.274 169 W CB -1.057 28.489 29.460 0.144 0.000 1.138 169 W HN 0.375 nan 8.180 nan 0.000 0.515 170 A N 1.273 123.987 122.820 -0.176 0.000 1.897 170 A HA -0.092 4.229 4.320 0.001 0.000 0.215 170 A C 2.260 179.760 177.584 -0.139 0.000 1.181 170 A CA 1.731 53.787 52.037 0.032 0.000 0.620 170 A CB -0.966 18.056 19.000 0.037 0.000 0.821 170 A HN 0.393 nan 8.150 nan 0.000 0.443 171 R N -0.234 120.117 120.500 -0.248 0.000 2.122 171 R HA -0.225 4.115 4.340 0.001 0.000 0.236 171 R C 2.307 178.386 176.300 -0.369 0.000 1.129 171 R CA 1.969 57.837 56.100 -0.388 0.000 0.925 171 R CB -0.504 29.633 30.300 -0.272 0.000 0.850 171 R HN 0.439 nan 8.270 nan 0.000 0.431 172 A N -0.365 122.407 122.820 -0.080 0.000 1.933 172 A HA -0.133 4.187 4.320 0.001 0.000 0.218 172 A C 2.179 179.782 177.584 0.032 0.000 1.175 172 A CA 2.048 54.154 52.037 0.115 0.000 0.628 172 A CB -0.764 18.430 19.000 0.324 0.000 0.814 172 A HN 0.539 nan 8.150 nan 0.000 0.444 173 T N -0.366 114.226 114.554 0.062 0.000 2.788 173 T HA -0.098 4.253 4.350 0.001 0.000 0.268 173 T C 1.869 176.531 174.700 -0.063 0.000 1.044 173 T CA 1.510 63.696 62.100 0.143 0.000 1.139 173 T CB -0.375 68.683 68.868 0.318 0.000 0.867 173 T HN 0.183 nan 8.240 nan 0.000 0.454 174 V N 1.361 121.122 119.914 -0.255 0.000 2.270 174 V HA -0.145 3.975 4.120 0.001 0.000 0.245 174 V C 2.705 178.526 176.094 -0.456 0.000 1.043 174 V CA 1.300 63.306 62.300 -0.490 0.000 1.014 174 V CB -0.826 30.537 31.823 -0.767 0.000 0.645 174 V HN 0.311 nan 8.190 nan 0.000 0.447 175 V N 0.646 120.276 119.914 -0.474 0.000 2.287 175 V HA -0.304 3.816 4.120 0.001 0.000 0.248 175 V C 2.746 178.688 176.094 -0.253 0.000 1.053 175 V CA 2.247 64.284 62.300 -0.437 0.000 1.027 175 V CB -1.378 30.102 31.823 -0.573 0.000 0.646 175 V HN 0.557 nan 8.190 nan 0.000 0.447 176 A N -0.341 122.380 122.820 -0.165 0.000 1.902 176 A HA -0.141 4.180 4.320 0.001 0.000 0.217 176 A C 2.237 179.736 177.584 -0.141 0.000 1.181 176 A CA 1.839 53.807 52.037 -0.115 0.000 0.623 176 A CB -0.560 18.416 19.000 -0.041 0.000 0.818 176 A HN 0.506 nan 8.150 nan 0.000 0.443 177 L N 0.545 121.650 121.223 -0.198 0.000 2.141 177 L HA -0.173 4.167 4.340 0.001 0.000 0.209 177 L C 2.998 179.719 176.870 -0.248 0.000 1.094 177 L CA 1.407 56.101 54.840 -0.244 0.000 0.763 177 L CB -0.458 41.413 42.059 -0.313 0.000 0.908 177 L HN 0.623 nan 8.230 nan 0.000 0.437 178 S N 0.161 115.688 115.700 -0.289 0.000 2.400 178 S HA -0.201 4.269 4.470 0.001 0.000 0.232 178 S C 1.872 176.327 174.600 -0.241 0.000 1.025 178 S CA 1.155 59.186 58.200 -0.282 0.000 0.993 178 S CB -0.704 62.313 63.200 -0.305 0.000 0.808 178 S HN 0.402 nan 8.310 nan 0.000 0.478 179 I N 1.339 121.787 120.570 -0.204 0.000 2.252 179 I HA -0.110 4.061 4.170 0.001 0.000 0.245 179 I C 2.398 178.408 176.117 -0.178 0.000 1.102 179 I CA 1.012 62.209 61.300 -0.172 0.000 1.385 179 I CB -0.502 37.422 38.000 -0.126 0.000 1.064 179 I HN 0.233 nan 8.210 nan 0.000 0.414 180 V N 0.589 120.406 119.914 -0.162 0.000 2.379 180 V HA -0.244 3.877 4.120 0.001 0.000 0.245 180 V C 2.432 178.343 176.094 -0.304 0.000 1.044 180 V CA 1.632 63.840 62.300 -0.153 0.000 1.036 180 V CB -0.529 31.259 31.823 -0.057 0.000 0.664 180 V HN 0.373 nan 8.190 nan 0.000 0.453 181 M N -0.043 119.374 119.600 -0.306 0.000 2.296 181 M HA -0.121 4.359 4.480 0.001 0.000 0.265 181 M C 2.472 178.489 176.300 -0.472 0.000 1.064 181 M CA 1.636 56.673 55.300 -0.437 0.000 1.109 181 M CB -0.628 31.828 32.600 -0.239 0.000 1.396 181 M HN 0.447 nan 8.290 nan 0.000 0.430 182 S N 0.549 116.030 115.700 -0.366 0.000 2.382 182 S HA -0.091 4.380 4.470 0.001 0.000 0.228 182 S C 1.947 176.316 174.600 -0.385 0.000 1.027 182 S CA 1.114 59.099 58.200 -0.358 0.000 0.991 182 S CB 0.029 63.059 63.200 -0.284 0.000 0.823 182 S HN 0.373 nan 8.310 nan 0.000 0.469 183 R N 0.601 120.878 120.500 -0.372 0.000 2.265 183 R HA 0.263 4.603 4.340 0.001 0.000 0.194 183 R C 0.155 176.172 176.300 -0.471 0.000 0.931 183 R CA 0.088 55.981 56.100 -0.345 0.000 1.032 183 R CB -0.824 29.334 30.300 -0.237 0.000 0.980 183 R HN 0.580 nan 8.270 nan 0.000 0.497 184 Q N 1.594 120.933 119.800 -0.768 0.000 2.429 184 Q HA -0.144 4.196 4.340 0.001 0.000 0.365 184 Q C -2.079 173.494 176.000 -0.711 0.000 1.384 184 Q CA 0.161 55.139 55.803 -1.375 0.000 1.089 184 Q CB -1.205 26.763 28.738 -1.284 0.000 1.264 184 Q HN 0.288 nan 8.270 nan 0.000 0.342 185 P HA 0.357 nan 4.420 nan 0.000 0.279 185 P C -0.428 176.865 177.300 -0.012 0.000 1.252 185 P CA -0.363 62.614 63.100 -0.205 0.000 0.811 185 P CB 1.435 33.015 31.700 -0.200 0.000 1.035 186 V N 2.351 122.091 119.914 -0.289 0.000 2.569 186 V HA 0.317 4.438 4.120 0.001 0.000 0.301 186 V C -0.732 175.142 176.094 -0.367 0.000 1.044 186 V CA -0.265 61.968 62.300 -0.112 0.000 0.874 186 V CB 1.290 33.153 31.823 0.066 0.000 1.002 186 V HN 0.336 nan 8.190 nan 0.000 0.424 187 F N 5.356 125.412 119.950 0.176 0.000 2.359 187 F HA 0.483 5.011 4.527 0.001 0.000 0.370 187 F C -2.251 173.717 175.800 0.280 0.000 1.077 187 F CA -2.591 55.504 58.000 0.158 0.000 1.136 187 F CB 1.233 40.286 39.000 0.088 0.000 1.387 187 F HN 0.294 nan 8.300 nan 0.000 0.468 188 P HA -0.026 nan 4.420 nan 0.000 0.263 188 P C -0.261 177.248 177.300 0.348 0.000 1.175 188 P CA 0.396 63.661 63.100 0.276 0.000 0.761 188 P CB 0.664 32.474 31.700 0.183 0.000 0.794 189 L N 5.350 126.701 121.223 0.213 0.000 2.379 189 L HA 0.442 4.782 4.340 0.001 0.000 0.269 189 L C -1.620 175.334 176.870 0.139 0.000 1.084 189 L CA -2.176 52.737 54.840 0.121 0.000 0.802 189 L CB 0.627 42.727 42.059 0.067 0.000 1.175 189 L HN 0.279 nan 8.230 nan 0.000 0.448 190 P HA 0.079 nan 4.420 nan 0.000 0.272 190 P C -0.185 177.151 177.300 0.060 0.000 1.230 190 P CA -0.314 62.836 63.100 0.083 0.000 0.788 190 P CB 0.906 32.631 31.700 0.042 0.000 0.949 191 E N 0.684 120.915 120.200 0.052 0.000 2.130 191 E HA -0.228 4.122 4.350 0.001 0.000 0.196 191 E C 2.159 178.782 176.600 0.038 0.000 0.998 191 E CA 1.415 57.844 56.400 0.049 0.000 0.806 191 E CB -0.402 29.323 29.700 0.042 0.000 0.738 191 E HN 0.438 nan 8.360 nan 0.000 0.459 192 R N 0.230 120.739 120.500 0.015 0.000 2.103 192 R HA -0.141 4.200 4.340 0.001 0.000 0.242 192 R C 1.731 178.035 176.300 0.007 0.000 1.142 192 R CA 1.608 57.708 56.100 -0.000 0.000 0.960 192 R CB -0.189 30.090 30.300 -0.035 0.000 0.858 192 R HN 0.238 nan 8.270 nan 0.000 0.439 193 A N 1.019 123.847 122.820 0.012 0.000 2.275 193 A HA 0.136 4.456 4.320 0.001 0.000 0.212 193 A C 0.023 177.658 177.584 0.085 0.000 1.201 193 A CA -0.308 51.756 52.037 0.045 0.000 0.843 193 A CB 0.008 19.057 19.000 0.081 0.000 0.873 193 A HN 0.103 nan 8.150 nan 0.000 0.492 194 R N 0.011 120.563 120.500 0.086 0.000 2.640 194 R HA 0.132 4.473 4.340 0.001 0.000 0.270 194 R C 0.257 176.633 176.300 0.127 0.000 1.024 194 R CA 0.520 56.684 56.100 0.107 0.000 1.085 194 R CB 0.153 30.513 30.300 0.101 0.000 0.963 194 R HN 0.361 nan 8.270 nan 0.000 0.426 195 V N 0.122 120.122 119.914 0.143 0.000 2.759 195 V HA 0.181 4.301 4.120 0.001 0.000 0.342 195 V C -1.516 174.657 176.094 0.132 0.000 1.228 195 V CA -1.132 61.263 62.300 0.159 0.000 1.302 195 V CB 0.898 32.828 31.823 0.177 0.000 1.496 195 V HN 0.522 nan 8.190 nan 0.000 0.628 196 P HA -0.242 nan 4.420 nan 0.000 0.217 196 P C 1.519 178.940 177.300 0.202 0.000 1.148 196 P CA 2.073 65.323 63.100 0.250 0.000 0.828 196 P CB 0.251 32.066 31.700 0.192 0.000 0.783 197 E N 0.737 121.008 120.200 0.119 0.000 2.393 197 E HA -0.172 4.178 4.350 0.001 0.000 0.201 197 E C 1.858 178.447 176.600 -0.018 0.000 1.025 197 E CA 0.852 57.291 56.400 0.066 0.000 0.856 197 E CB -1.188 28.551 29.700 0.065 0.000 0.771 197 E HN 0.355 nan 8.360 nan 0.000 0.526 198 L N -0.423 120.742 121.223 -0.097 0.000 2.552 198 L HA -0.030 4.311 4.340 0.001 0.000 0.227 198 L C 1.488 178.211 176.870 -0.246 0.000 1.146 198 L CA 0.550 55.244 54.840 -0.243 0.000 0.858 198 L CB -0.268 41.590 42.059 -0.336 0.000 0.969 198 L HN 0.038 nan 8.230 nan 0.000 0.451 199 Y N -0.511 119.793 120.300 0.008 0.000 2.479 199 Y HA 0.060 4.611 4.550 0.001 0.000 0.283 199 Y C 1.165 177.068 175.900 0.005 0.000 1.109 199 Y CA -0.502 57.610 58.100 0.020 0.000 1.239 199 Y CB 0.116 38.599 38.460 0.038 0.000 1.108 199 Y HN 0.055 nan 8.280 nan 0.000 0.548 200 E N 1.542 121.831 120.200 0.149 0.000 1.855 200 E HA 0.068 4.419 4.350 0.001 0.000 0.259 200 E C -0.536 176.088 176.600 0.041 0.000 1.229 200 E CA 0.434 56.884 56.400 0.083 0.000 1.042 200 E CB -0.253 29.486 29.700 0.064 0.000 1.079 200 E HN 0.091 nan 8.360 nan 0.000 0.434 201 T N 0.767 115.348 114.554 0.044 0.000 2.853 201 T HA 0.092 4.442 4.350 0.001 0.000 0.311 201 T C -0.076 174.638 174.700 0.023 0.000 1.307 201 T CA -0.885 61.225 62.100 0.018 0.000 1.019 201 T CB 1.261 70.126 68.868 -0.005 0.000 1.264 201 T HN 0.373 nan 8.240 nan 0.000 0.497 202 D N -0.014 120.393 120.400 0.012 0.000 2.431 202 D HA 0.071 4.711 4.640 0.001 0.000 0.227 202 D C 0.851 177.157 176.300 0.010 0.000 1.030 202 D CA 0.315 54.323 54.000 0.013 0.000 0.897 202 D CB -0.270 40.536 40.800 0.011 0.000 1.058 202 D HN 0.301 nan 8.370 nan 0.000 0.500 203 V N 4.360 124.274 119.914 -0.000 0.000 2.752 203 V HA 0.014 4.135 4.120 0.001 0.000 0.306 203 V C -1.828 174.268 176.094 0.003 0.000 1.099 203 V CA -0.560 61.737 62.300 -0.005 0.000 1.240 203 V CB -0.184 31.625 31.823 -0.024 0.000 0.887 203 V HN 0.175 nan 8.190 nan 0.000 0.499 204 P HA 0.147 nan 4.420 nan 0.000 0.267 204 P C -2.459 174.850 177.300 0.015 0.000 1.209 204 P CA -1.367 61.742 63.100 0.015 0.000 0.763 204 P CB 0.162 31.872 31.700 0.017 0.000 0.816 205 P HA 0.016 nan 4.420 nan 0.000 0.264 205 P C 0.143 177.459 177.300 0.027 0.000 1.236 205 P CA 0.177 63.293 63.100 0.028 0.000 0.811 205 P CB 0.109 31.839 31.700 0.051 0.000 0.840 206 R N 3.830 124.340 120.500 0.017 0.000 2.419 206 R HA 0.313 4.654 4.340 0.001 0.000 0.305 206 R C 0.124 176.442 176.300 0.029 0.000 1.242 206 R CA -0.707 55.407 56.100 0.024 0.000 1.105 206 R CB 0.401 30.713 30.300 0.021 0.000 1.116 206 R HN 0.347 nan 8.270 nan 0.000 0.523 207 R N 2.737 123.258 120.500 0.036 0.000 2.490 207 R HA 0.108 4.449 4.340 0.001 0.000 0.280 207 R C -0.451 175.872 176.300 0.038 0.000 1.077 207 R CA -0.443 55.679 56.100 0.037 0.000 1.065 207 R CB 0.859 31.187 30.300 0.045 0.000 1.003 207 R HN 0.563 nan 8.270 nan 0.000 0.470 208 R N 2.397 122.917 120.500 0.034 0.000 2.297 208 R HA 0.275 4.615 4.340 0.001 0.000 0.308 208 R C -0.457 175.858 176.300 0.026 0.000 1.029 208 R CA -0.150 55.971 56.100 0.035 0.000 0.929 208 R CB 1.283 31.607 30.300 0.041 0.000 1.046 208 R HN 0.842 nan 8.270 nan 0.000 0.461 209 G N 1.689 110.506 108.800 0.030 0.000 2.552 209 G HA2 0.519 4.479 3.960 0.001 0.000 0.318 209 G HA3 0.519 4.479 3.960 0.001 0.000 0.318 209 G C -0.795 174.110 174.900 0.007 0.000 1.240 209 G CA -0.603 44.514 45.100 0.029 0.000 1.002 209 G HN 0.826 nan 8.290 nan 0.000 0.493 210 A N 0.006 122.830 122.820 0.006 0.000 2.586 210 A HA 0.213 4.534 4.320 0.001 0.000 0.231 210 A C 1.717 179.274 177.584 -0.044 0.000 1.055 210 A CA 0.142 52.159 52.037 -0.034 0.000 0.756 210 A CB 0.266 19.243 19.000 -0.038 0.000 0.988 210 A HN 0.591 nan 8.150 nan 0.000 0.509 211 K N 1.919 122.264 120.400 -0.091 0.000 2.173 211 K HA -0.177 4.144 4.320 0.001 0.000 0.207 211 K C 1.496 178.042 176.600 -0.090 0.000 1.046 211 K CA 1.861 58.089 56.287 -0.098 0.000 0.929 211 K CB -0.334 32.082 32.500 -0.140 0.000 0.720 211 K HN 0.840 nan 8.250 nan 0.000 0.453 212 G N -0.249 108.472 108.800 -0.131 0.000 3.453 212 G HA2 0.402 4.362 3.960 0.001 0.000 0.263 212 G HA3 0.402 4.362 3.960 0.001 0.000 0.263 212 G C 0.099 175.101 174.900 0.171 0.000 1.060 212 G CA 0.279 45.332 45.100 -0.077 0.000 0.793 212 G HN 0.453 nan 8.290 nan 0.000 0.532 213 G N -1.496 107.395 108.800 0.151 0.000 2.675 213 G HA2 0.462 4.422 3.960 0.001 0.000 0.686 213 G HA3 0.462 4.422 3.960 0.001 0.000 0.686 213 G C -0.051 174.995 174.900 0.242 0.000 1.215 213 G CA -0.326 44.884 45.100 0.183 0.000 0.777 213 G HN 1.100 nan 8.290 nan 0.000 0.638 214 G N 0.022 108.927 108.800 0.174 0.000 2.487 214 G HA2 0.794 4.754 3.960 0.001 0.000 0.314 214 G HA3 0.794 4.754 3.960 0.001 0.000 0.314 214 G C 0.466 175.486 174.900 0.200 0.000 1.267 214 G CA 0.604 45.829 45.100 0.208 0.000 0.937 214 G HN 1.593 nan 8.290 nan 0.000 0.481 215 G N 2.100 111.055 108.800 0.260 0.000 2.403 215 G HA2 0.330 4.291 3.960 0.001 0.000 0.259 215 G HA3 0.330 4.291 3.960 0.001 0.000 0.259 215 G C 1.099 175.929 174.900 -0.117 0.000 1.244 215 G CA -0.540 44.539 45.100 -0.035 0.000 0.849 215 G HN 0.812 nan 8.290 nan 0.000 0.532 216 W N 3.070 124.371 121.300 0.002 0.000 2.389 216 W HA -0.147 4.514 4.660 0.001 0.000 0.267 216 W C 0.923 177.413 176.519 -0.049 0.000 1.219 216 W CA 0.160 57.504 57.345 -0.002 0.000 1.189 216 W CB -0.755 28.696 29.460 -0.016 0.000 1.129 216 W HN 0.366 nan 8.180 nan 0.000 0.581 217 I N 0.968 120.883 120.570 -1.091 0.000 2.113 217 I HA -0.238 3.933 4.170 0.001 0.000 0.238 217 I C 2.443 178.254 176.117 -0.509 0.000 1.070 217 I CA 1.600 62.256 61.300 -1.074 0.000 1.332 217 I CB -1.570 35.580 38.000 -1.416 0.000 1.044 217 I HN -0.263 nan 8.210 nan 0.000 0.402 218 F N 0.868 120.699 119.950 -0.198 0.000 2.126 218 F HA -0.202 4.326 4.527 0.001 0.000 0.299 218 F C 2.321 178.128 175.800 0.011 0.000 1.096 218 F CA 1.573 59.538 58.000 -0.060 0.000 1.255 218 F CB -1.261 37.724 39.000 -0.025 0.000 0.997 218 F HN 0.100 nan 8.300 nan 0.000 0.479 219 D N -0.040 120.479 120.400 0.197 0.000 2.104 219 D HA -0.176 4.464 4.640 0.001 0.000 0.194 219 D C 2.310 178.699 176.300 0.149 0.000 0.994 219 D CA 1.585 55.689 54.000 0.174 0.000 0.830 219 D CB -0.286 40.620 40.800 0.178 0.000 0.959 219 D HN 0.176 nan 8.370 nan 0.000 0.452 220 A N 0.120 123.017 122.820 0.129 0.000 1.877 220 A HA -0.144 4.177 4.320 0.001 0.000 0.216 220 A C 2.051 179.698 177.584 0.106 0.000 1.186 220 A CA 1.127 53.242 52.037 0.130 0.000 0.620 220 A CB -0.912 18.182 19.000 0.156 0.000 0.822 220 A HN 0.314 nan 8.150 nan 0.000 0.443 221 L N 0.498 121.765 121.223 0.074 0.000 2.042 221 L HA -0.203 4.137 4.340 0.001 0.000 0.210 221 L C 1.854 178.811 176.870 0.146 0.000 1.076 221 L CA 2.831 57.724 54.840 0.088 0.000 0.749 221 L CB -0.959 41.150 42.059 0.082 0.000 0.893 221 L HN 0.543 nan 8.230 nan 0.000 0.432 222 D N -1.101 119.410 120.400 0.184 0.000 2.097 222 D HA -0.187 4.454 4.640 0.001 0.000 0.195 222 D C 2.247 178.732 176.300 0.307 0.000 0.989 222 D CA 1.332 55.481 54.000 0.249 0.000 0.827 222 D CB 0.037 40.985 40.800 0.246 0.000 0.966 222 D HN 0.334 nan 8.370 nan 0.000 0.456 223 R N 0.317 120.940 120.500 0.205 0.000 2.096 223 R HA -0.036 4.304 4.340 0.001 0.000 0.235 223 R C 2.371 178.785 176.300 0.189 0.000 1.127 223 R CA 1.103 57.306 56.100 0.170 0.000 0.968 223 R CB -0.390 29.977 30.300 0.112 0.000 0.861 223 R HN 0.155 nan 8.270 nan 0.000 0.440 224 A N 1.866 124.782 122.820 0.160 0.000 1.845 224 A HA -0.121 4.199 4.320 0.001 0.000 0.215 224 A C 2.245 179.938 177.584 0.181 0.000 1.195 224 A CA 1.148 53.268 52.037 0.138 0.000 0.616 224 A CB -0.681 18.375 19.000 0.093 0.000 0.832 224 A HN 0.177 nan 8.150 nan 0.000 0.443 225 L N -1.417 119.914 121.223 0.181 0.000 2.187 225 L HA -0.246 4.095 4.340 0.001 0.000 0.213 225 L C 2.465 179.404 176.870 0.114 0.000 1.100 225 L CA 1.571 56.511 54.840 0.166 0.000 0.765 225 L CB -0.612 41.504 42.059 0.095 0.000 0.904 225 L HN 0.508 nan 8.230 nan 0.000 0.437 226 H N -1.106 118.036 119.070 0.120 0.000 2.470 226 H HA -0.025 4.531 4.556 0.001 0.000 0.289 226 H C 2.184 177.573 175.328 0.101 0.000 1.033 226 H CA 1.133 57.239 56.048 0.097 0.000 1.331 226 H CB -0.058 29.760 29.762 0.094 0.000 1.414 226 H HN 0.266 nan 8.280 nan 0.000 0.545 227 G N -0.550 108.389 108.800 0.233 0.000 2.396 227 G HA2 -0.289 3.672 3.960 0.001 0.000 0.214 227 G HA3 -0.289 3.672 3.960 0.001 0.000 0.214 227 G C 1.474 176.504 174.900 0.217 0.000 1.166 227 G CA 0.449 45.660 45.100 0.185 0.000 0.793 227 G HN 0.384 nan 8.290 nan 0.000 0.533 228 Y N 1.382 121.735 120.300 0.089 0.000 2.207 228 Y HA -0.173 4.378 4.550 0.001 0.000 0.287 228 Y C 2.804 178.817 175.900 0.189 0.000 1.156 228 Y CA 1.775 59.943 58.100 0.113 0.000 1.182 228 Y CB -0.539 37.983 38.460 0.104 0.000 0.979 228 Y HN 0.275 nan 8.280 nan 0.000 0.521 229 Q N 0.795 120.627 119.800 0.054 0.000 2.135 229 Q HA -0.182 4.159 4.340 0.001 0.000 0.204 229 Q C 2.055 178.100 176.000 0.074 0.000 0.981 229 Q CA 2.107 57.856 55.803 -0.091 0.000 0.856 229 Q CB -0.194 28.464 28.738 -0.133 0.000 0.902 229 Q HN 0.451 nan 8.270 nan 0.000 0.425 230 K N -0.328 120.123 120.400 0.085 0.000 2.211 230 K HA -0.033 4.288 4.320 0.001 0.000 0.203 230 K C 0.387 177.010 176.600 0.038 0.000 1.050 230 K CA 0.128 56.453 56.287 0.063 0.000 0.945 230 K CB -0.234 32.304 32.500 0.064 0.000 0.732 230 K HN 0.249 nan 8.250 nan 0.000 0.451 231 L N 0.915 122.151 121.223 0.022 0.000 2.516 231 L HA -0.099 4.241 4.340 0.001 0.000 0.288 231 L C 1.786 178.511 176.870 -0.242 0.000 1.246 231 L CA 0.007 54.777 54.840 -0.116 0.000 0.844 231 L CB 0.380 42.343 42.059 -0.159 0.000 1.106 231 L HN 0.095 nan 8.230 nan 0.000 0.509 232 S N 1.050 116.633 115.700 -0.194 0.000 2.489 232 S HA 0.049 4.520 4.470 0.001 0.000 0.228 232 S C 0.072 174.526 174.600 -0.245 0.000 0.995 232 S CA 0.213 58.316 58.200 -0.161 0.000 0.934 232 S CB -0.045 63.099 63.200 -0.093 0.000 0.771 232 S HN 0.456 nan 8.310 nan 0.000 0.522 233 V N 0.210 119.876 119.914 -0.414 0.000 2.777 233 V HA 0.646 4.767 4.120 0.001 0.000 0.306 233 V C -1.917 173.855 176.094 -0.538 0.000 1.112 233 V CA -0.997 61.082 62.300 -0.370 0.000 0.917 233 V CB 1.328 33.050 31.823 -0.167 0.000 1.018 233 V HN 0.296 nan 8.190 nan 0.000 0.426 234 H N 5.000 124.033 119.070 -0.060 0.000 2.866 234 H HA 0.618 5.175 4.556 0.001 0.000 0.287 234 H C -2.701 172.652 175.328 0.040 0.000 1.106 234 H CA -1.685 54.363 56.048 0.000 0.000 1.396 234 H CB 1.424 31.026 29.762 -0.266 0.000 1.469 234 H HN 0.668 nan 8.280 nan 0.000 0.500 235 P HA -0.081 nan 4.420 nan 0.000 0.266 235 P C -0.071 177.247 177.300 0.029 0.000 1.195 235 P CA 0.081 63.101 63.100 -0.134 0.000 0.768 235 P CB 0.659 32.183 31.700 -0.293 0.000 0.838 236 F N -0.814 119.213 119.950 0.127 0.000 2.825 236 F HA -0.255 4.272 4.527 0.001 0.000 0.358 236 F C 1.996 177.950 175.800 0.257 0.000 0.639 236 F CA 1.391 59.498 58.000 0.178 0.000 1.153 236 F CB -2.024 37.051 39.000 0.125 0.000 1.610 236 F HN 0.378 nan 8.300 nan 0.000 0.305 237 R N 1.275 121.955 120.500 0.300 0.000 2.075 237 R HA -0.115 4.226 4.340 0.001 0.000 0.232 237 R C 2.322 178.680 176.300 0.097 0.000 1.126 237 R CA 1.789 57.994 56.100 0.175 0.000 0.963 237 R CB -0.304 30.029 30.300 0.055 0.000 0.858 237 R HN 0.456 nan 8.270 nan 0.000 0.435 238 R N 0.287 120.841 120.500 0.090 0.000 2.113 238 R HA -0.206 4.134 4.340 0.001 0.000 0.244 238 R C 2.028 178.374 176.300 0.077 0.000 1.142 238 R CA 2.022 58.155 56.100 0.054 0.000 0.953 238 R CB -0.524 29.808 30.300 0.053 0.000 0.860 238 R HN 0.351 nan 8.270 nan 0.000 0.438 239 A N 0.721 123.645 122.820 0.173 0.000 1.877 239 A HA -0.078 4.243 4.320 0.001 0.000 0.216 239 A C 2.472 180.089 177.584 0.056 0.000 1.186 239 A CA 1.725 53.877 52.037 0.192 0.000 0.620 239 A CB -0.993 18.232 19.000 0.374 0.000 0.822 239 A HN 0.600 nan 8.150 nan 0.000 0.443 240 A N -0.051 122.749 122.820 -0.033 0.000 1.917 240 A HA -0.249 4.071 4.320 0.001 0.000 0.219 240 A C 1.913 179.344 177.584 -0.254 0.000 1.182 240 A CA 1.875 53.645 52.037 -0.445 0.000 0.633 240 A CB -0.657 18.070 19.000 -0.456 0.000 0.819 240 A HN 0.675 nan 8.150 nan 0.000 0.448 241 E N -0.418 119.699 120.200 -0.137 0.000 2.038 241 E HA -0.185 4.166 4.350 0.001 0.000 0.195 241 E C 1.913 178.467 176.600 -0.077 0.000 1.000 241 E CA 1.429 57.760 56.400 -0.115 0.000 0.803 241 E CB -0.356 29.291 29.700 -0.087 0.000 0.750 241 E HN 0.721 nan 8.360 nan 0.000 0.448 242 I N 0.869 121.417 120.570 -0.037 0.000 2.454 242 I HA -0.224 3.947 4.170 0.001 0.000 0.254 242 I C 2.410 178.528 176.117 0.002 0.000 1.156 242 I CA 0.634 61.931 61.300 -0.004 0.000 1.433 242 I CB -0.169 37.847 38.000 0.026 0.000 1.082 242 I HN 0.023 nan 8.210 nan 0.000 0.432 243 R N 0.877 121.356 120.500 -0.035 0.000 2.092 243 R HA -0.035 4.306 4.340 0.001 0.000 0.231 243 R C 2.333 178.636 176.300 0.005 0.000 1.119 243 R CA 1.469 57.554 56.100 -0.025 0.000 0.970 243 R CB -0.754 29.463 30.300 -0.138 0.000 0.864 243 R HN 0.361 nan 8.270 nan 0.000 0.440 244 A N 1.318 124.101 122.820 -0.063 0.000 1.854 244 A HA -0.122 4.199 4.320 0.001 0.000 0.214 244 A C 2.195 179.820 177.584 0.068 0.000 1.192 244 A CA 1.047 53.059 52.037 -0.041 0.000 0.611 244 A CB -0.615 18.300 19.000 -0.142 0.000 0.832 244 A HN 0.230 nan 8.150 nan 0.000 0.442 245 L N 0.174 121.411 121.223 0.022 0.000 2.042 245 L HA -0.203 4.138 4.340 0.001 0.000 0.210 245 L C 1.554 178.475 176.870 0.086 0.000 1.076 245 L CA 2.749 57.611 54.840 0.036 0.000 0.749 245 L CB -0.714 41.347 42.059 0.003 0.000 0.893 245 L HN 0.327 nan 8.230 nan 0.000 0.432 246 D N -1.303 119.150 120.400 0.089 0.000 2.117 246 D HA -0.230 4.411 4.640 0.001 0.000 0.198 246 D C 1.736 178.105 176.300 0.115 0.000 0.982 246 D CA 1.421 55.474 54.000 0.089 0.000 0.828 246 D CB -0.476 40.370 40.800 0.076 0.000 0.967 246 D HN 0.597 nan 8.370 nan 0.000 0.464 247 W N 1.256 122.554 121.300 -0.005 0.000 2.342 247 W HA -0.108 4.553 4.660 0.001 0.000 0.297 247 W C 1.923 178.478 176.519 0.060 0.000 1.213 247 W CA 1.138 58.485 57.345 0.003 0.000 1.251 247 W CB -0.238 29.201 29.460 -0.034 0.000 1.136 247 W HN -0.059 nan 8.180 nan 0.000 0.526 248 L N -0.367 121.039 121.223 0.304 0.000 2.044 248 L HA -0.207 4.133 4.340 0.001 0.000 0.205 248 L C 2.481 179.575 176.870 0.373 0.000 1.075 248 L CA 1.064 56.095 54.840 0.318 0.000 0.747 248 L CB -1.035 41.126 42.059 0.170 0.000 0.903 248 L HN -0.022 nan 8.230 nan 0.000 0.435 249 L N -0.393 120.964 121.223 0.223 0.000 2.127 249 L HA -0.223 4.118 4.340 0.001 0.000 0.211 249 L C 2.415 179.326 176.870 0.068 0.000 1.089 249 L CA 1.247 56.197 54.840 0.184 0.000 0.757 249 L CB -0.428 41.695 42.059 0.107 0.000 0.899 249 L HN 0.329 nan 8.230 nan 0.000 0.434 250 E N -0.129 120.042 120.200 -0.048 0.000 2.107 250 E HA -0.144 4.206 4.350 0.001 0.000 0.191 250 E C 1.936 178.371 176.600 -0.274 0.000 0.982 250 E CA 0.763 57.054 56.400 -0.181 0.000 0.809 250 E CB 0.132 29.649 29.700 -0.305 0.000 0.756 250 E HN 0.401 nan 8.360 nan 0.000 0.459 251 R N 0.677 121.008 120.500 -0.281 0.000 2.334 251 R HA 0.091 4.432 4.340 0.001 0.000 0.216 251 R C 0.358 176.643 176.300 -0.024 0.000 0.905 251 R CA -0.196 55.769 56.100 -0.225 0.000 1.064 251 R CB 0.210 30.269 30.300 -0.402 0.000 1.046 251 R HN 0.103 nan 8.270 nan 0.000 0.508 252 Q N 1.466 121.120 119.800 -0.243 0.000 2.304 252 Q HA 0.046 4.386 4.340 0.001 0.000 0.315 252 Q C -0.437 175.280 176.000 -0.471 0.000 1.075 252 Q CA -0.140 55.156 55.803 -0.846 0.000 0.988 252 Q CB 0.700 28.928 28.738 -0.850 0.000 1.146 252 Q HN 0.244 nan 8.270 nan 0.000 0.383 253 A N 3.334 125.825 122.820 -0.548 0.000 2.327 253 A HA 0.389 4.710 4.320 0.001 0.000 0.255 253 A C 1.145 178.532 177.584 -0.329 0.000 1.099 253 A CA 0.111 51.945 52.037 -0.338 0.000 0.801 253 A CB 0.193 19.029 19.000 -0.274 0.000 1.062 253 A HN 1.033 nan 8.150 nan 0.000 0.496 254 G N -0.265 108.394 108.800 -0.236 0.000 2.448 254 G HA2 -0.175 3.785 3.960 0.001 0.000 0.219 254 G HA3 -0.175 3.785 3.960 0.001 0.000 0.219 254 G C 0.629 175.437 174.900 -0.152 0.000 1.127 254 G CA 1.311 46.301 45.100 -0.182 0.000 0.766 254 G HN 0.855 nan 8.290 nan 0.000 0.552 255 D N -0.974 119.336 120.400 -0.149 0.000 2.349 255 D HA 0.240 4.881 4.640 0.001 0.000 0.224 255 D C 1.735 177.954 176.300 -0.135 0.000 1.029 255 D CA 0.774 54.729 54.000 -0.075 0.000 0.879 255 D CB -0.368 40.460 40.800 0.047 0.000 0.906 255 D HN 0.470 nan 8.370 nan 0.000 0.528 256 G N -0.193 108.421 108.800 -0.310 0.000 2.195 256 G HA2 -0.272 3.689 3.960 0.001 0.000 0.224 256 G HA3 -0.272 3.689 3.960 0.001 0.000 0.224 256 G C 0.520 174.934 174.900 -0.811 0.000 0.990 256 G CA 0.346 45.222 45.100 -0.372 0.000 0.639 256 G HN 0.803 nan 8.290 nan 0.000 0.514 257 S N -0.757 114.221 115.700 -1.203 0.000 2.652 257 S HA 0.654 5.125 4.470 0.001 0.000 0.267 257 S C -0.111 173.936 174.600 -0.922 0.000 1.201 257 S CA -0.339 56.711 58.200 -1.916 0.000 0.996 257 S CB 1.141 63.326 63.200 -1.693 0.000 1.054 257 S HN 0.578 nan 8.310 nan 0.000 0.561 258 W N 0.158 121.158 121.300 -0.499 0.000 2.463 258 W HA 0.481 5.141 4.660 0.001 0.000 0.316 258 W C 0.800 177.324 176.519 0.009 0.000 1.004 258 W CA -0.047 57.242 57.345 -0.094 0.000 1.309 258 W CB 1.024 30.514 29.460 0.049 0.000 1.288 258 W HN 1.302 nan 8.180 nan 0.000 0.423 259 G N 1.529 110.451 108.800 0.202 0.000 2.205 259 G HA2 -0.242 3.718 3.960 0.001 0.000 0.261 259 G HA3 -0.242 3.718 3.960 0.001 0.000 0.261 259 G C 0.952 175.952 174.900 0.166 0.000 0.980 259 G CA 0.359 45.549 45.100 0.150 0.000 0.632 259 G HN 1.564 nan 8.290 nan 0.000 0.533 260 G N -0.446 108.429 108.800 0.124 0.000 2.176 260 G HA2 -0.011 3.949 3.960 0.001 0.000 0.252 260 G HA3 -0.011 3.949 3.960 0.001 0.000 0.252 260 G C 0.340 175.449 174.900 0.349 0.000 1.024 260 G CA 1.102 46.337 45.100 0.226 0.000 0.755 260 G HN 2.264 nan 8.290 nan 0.000 0.507 261 I N -4.994 115.764 120.570 0.312 0.000 2.730 261 I HA 0.591 4.762 4.170 0.001 0.000 0.298 261 I C 1.029 177.370 176.117 0.373 0.000 1.089 261 I CA -1.215 60.278 61.300 0.322 0.000 1.041 261 I CB 1.671 39.806 38.000 0.225 0.000 1.235 261 I HN -0.055 nan 8.210 nan 0.000 0.423 262 Q N 3.128 123.099 119.800 0.285 0.000 2.061 262 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 262 Q C -1.014 174.908 176.000 -0.129 0.000 0.984 262 Q CA 2.523 58.393 55.803 0.112 0.000 0.846 262 Q CB -1.152 27.534 28.738 -0.087 0.000 0.902 262 Q HN 0.687 nan 8.270 nan 0.000 0.421 263 P HA -0.130 nan 4.420 nan 0.000 0.210 263 P C -1.568 175.690 177.300 -0.070 0.000 1.185 263 P CA 2.299 65.261 63.100 -0.229 0.000 0.924 263 P CB -1.363 30.327 31.700 -0.018 0.000 0.786 264 P HA -0.221 nan 4.420 nan 0.000 0.216 264 P C 1.534 179.016 177.300 0.302 0.000 1.150 264 P CA 1.456 64.731 63.100 0.292 0.000 0.837 264 P CB -0.547 31.326 31.700 0.288 0.000 0.786 265 W N 0.889 122.316 121.300 0.211 0.000 2.332 265 W HA -0.191 4.470 4.660 0.001 0.000 0.321 265 W C 2.097 178.763 176.519 0.245 0.000 1.219 265 W CA 1.007 58.558 57.345 0.344 0.000 1.277 265 W CB -1.669 28.024 29.460 0.388 0.000 1.161 265 W HN -0.162 nan 8.180 nan 0.000 0.476 266 F N -0.368 119.600 119.950 0.030 0.000 2.095 266 F HA -0.233 4.295 4.527 0.001 0.000 0.298 266 F C 2.320 178.044 175.800 -0.125 0.000 1.104 266 F CA 1.812 59.709 58.000 -0.173 0.000 1.232 266 F CB -1.654 37.155 39.000 -0.318 0.000 0.987 266 F HN -0.138 nan 8.300 nan 0.000 0.475 267 Y N -0.321 120.112 120.300 0.221 0.000 2.242 267 Y HA -0.062 4.489 4.550 0.001 0.000 0.291 267 Y C 2.504 178.370 175.900 -0.058 0.000 1.137 267 Y CA 0.499 58.616 58.100 0.028 0.000 1.181 267 Y CB -1.559 36.894 38.460 -0.012 0.000 0.989 267 Y HN 0.020 nan 8.280 nan 0.000 0.527 268 A N 0.086 122.892 122.820 -0.025 0.000 1.933 268 A HA -0.148 4.173 4.320 0.001 0.000 0.218 268 A C 2.294 179.765 177.584 -0.189 0.000 1.175 268 A CA 1.499 53.313 52.037 -0.371 0.000 0.628 268 A CB -1.097 17.179 19.000 -1.207 0.000 0.814 268 A HN 0.479 nan 8.150 nan 0.000 0.444 269 L N -0.721 120.500 121.223 -0.003 0.000 2.093 269 L HA -0.131 4.210 4.340 0.001 0.000 0.208 269 L C 2.401 179.378 176.870 0.179 0.000 1.085 269 L CA 0.992 55.909 54.840 0.129 0.000 0.755 269 L CB -0.358 41.751 42.059 0.082 0.000 0.904 269 L HN 0.394 nan 8.230 nan 0.000 0.435 270 I N -0.514 120.118 120.570 0.102 0.000 2.286 270 I HA -0.231 3.939 4.170 0.001 0.000 0.245 270 I C 2.769 178.937 176.117 0.085 0.000 1.104 270 I CA 0.973 62.323 61.300 0.082 0.000 1.397 270 I CB -0.413 37.638 38.000 0.086 0.000 1.072 270 I HN 0.178 nan 8.210 nan 0.000 0.417 271 A N 1.212 124.065 122.820 0.054 0.000 1.877 271 A HA -0.171 4.150 4.320 0.001 0.000 0.216 271 A C 2.280 179.878 177.584 0.025 0.000 1.186 271 A CA 1.474 53.519 52.037 0.013 0.000 0.620 271 A CB -0.884 18.092 19.000 -0.040 0.000 0.822 271 A HN 0.371 nan 8.150 nan 0.000 0.443 272 L N -0.747 120.516 121.223 0.067 0.000 2.083 272 L HA -0.192 4.149 4.340 0.001 0.000 0.209 272 L C 2.570 179.453 176.870 0.021 0.000 1.083 272 L CA 1.725 56.620 54.840 0.092 0.000 0.752 272 L CB -0.418 41.810 42.059 0.282 0.000 0.899 272 L HN 0.351 nan 8.230 nan 0.000 0.433 273 K N 0.871 121.300 120.400 0.049 0.000 2.063 273 K HA -0.175 4.146 4.320 0.001 0.000 0.208 273 K C 1.902 178.497 176.600 -0.008 0.000 1.048 273 K CA 1.622 57.863 56.287 -0.076 0.000 0.928 273 K CB -0.326 32.148 32.500 -0.044 0.000 0.713 273 K HN 0.041 nan 8.250 nan 0.000 0.442 274 I N 1.027 121.631 120.570 0.056 0.000 2.208 274 I HA -0.212 3.959 4.170 0.001 0.000 0.245 274 I C 1.570 177.687 176.117 0.000 0.000 1.097 274 I CA 1.250 62.588 61.300 0.063 0.000 1.363 274 I CB -0.763 37.262 38.000 0.042 0.000 1.051 274 I HN 0.170 nan 8.210 nan 0.000 0.413 275 L N 0.794 122.006 121.223 -0.018 0.000 2.718 275 L HA 0.032 4.373 4.340 0.001 0.000 0.242 275 L C 0.004 176.851 176.870 -0.038 0.000 1.203 275 L CA -0.025 54.797 54.840 -0.030 0.000 1.011 275 L CB -0.756 41.286 42.059 -0.029 0.000 1.250 275 L HN 0.231 nan 8.230 nan 0.000 0.437 276 D N 0.804 121.172 120.400 -0.053 0.000 2.701 276 D HA -0.233 4.408 4.640 0.001 0.000 0.235 276 D C 0.598 176.849 176.300 -0.082 0.000 1.155 276 D CA 1.172 55.128 54.000 -0.074 0.000 0.649 276 D CB -0.470 40.303 40.800 -0.046 0.000 1.050 276 D HN 0.428 nan 8.370 nan 0.000 0.425 277 M N -0.603 118.928 119.600 -0.115 0.000 2.778 277 M HA 0.032 4.513 4.480 0.001 0.000 0.359 277 M C 1.614 177.795 176.300 -0.199 0.000 1.216 277 M CA -0.039 55.223 55.300 -0.064 0.000 0.935 277 M CB 0.501 33.099 32.600 -0.003 0.000 1.330 277 M HN -0.003 nan 8.290 nan 0.000 0.516 278 T N -2.785 111.482 114.554 -0.478 0.000 3.035 278 T HA -0.033 4.317 4.350 0.001 0.000 0.268 278 T C 1.389 175.916 174.700 -0.288 0.000 1.109 278 T CA 0.789 62.300 62.100 -0.982 0.000 1.119 278 T CB -0.025 68.299 68.868 -0.908 0.000 0.900 278 T HN 0.431 nan 8.240 nan 0.000 0.503 279 Q N 0.263 120.010 119.800 -0.088 0.000 2.280 279 Q HA 0.118 4.459 4.340 0.001 0.000 0.202 279 Q C 0.096 176.165 176.000 0.115 0.000 0.903 279 Q CA -0.066 55.753 55.803 0.027 0.000 0.948 279 Q CB 0.175 28.913 28.738 -0.000 0.000 1.058 279 Q HN 0.649 nan 8.270 nan 0.000 0.493 280 H N 0.776 119.902 119.070 0.092 0.000 2.482 280 H HA 0.115 4.671 4.556 0.001 0.000 0.344 280 H C -1.897 173.550 175.328 0.198 0.000 1.151 280 H CA -1.913 54.217 56.048 0.137 0.000 1.300 280 H CB 1.863 31.711 29.762 0.144 0.000 1.494 280 H HN -0.203 nan 8.280 nan 0.000 0.542 281 P HA -0.170 nan 4.420 nan 0.000 0.214 281 P C 1.148 178.656 177.300 0.346 0.000 1.163 281 P CA 2.557 65.735 63.100 0.130 0.000 0.889 281 P CB -0.084 31.592 31.700 -0.040 0.000 0.790 282 A N -1.407 121.767 122.820 0.589 0.000 1.948 282 A HA -0.246 4.075 4.320 0.001 0.000 0.220 282 A C 2.160 180.006 177.584 0.436 0.000 1.177 282 A CA 1.743 54.035 52.037 0.424 0.000 0.636 282 A CB -1.861 17.376 19.000 0.395 0.000 0.815 282 A HN 0.192 nan 8.150 nan 0.000 0.449 283 F N 0.680 120.857 119.950 0.378 0.000 2.113 283 F HA -0.134 4.394 4.527 0.001 0.000 0.297 283 F C 1.998 178.002 175.800 0.340 0.000 1.103 283 F CA 1.518 59.719 58.000 0.335 0.000 1.248 283 F CB -0.076 39.060 39.000 0.226 0.000 0.999 283 F HN 0.135 nan 8.300 nan 0.000 0.475 284 I N 0.695 121.512 120.570 0.411 0.000 2.163 284 I HA -0.276 3.894 4.170 0.001 0.000 0.243 284 I C 2.330 178.587 176.117 0.234 0.000 1.085 284 I CA 1.494 62.989 61.300 0.324 0.000 1.347 284 I CB -1.509 36.665 38.000 0.291 0.000 1.044 284 I HN 0.157 nan 8.210 nan 0.000 0.408 285 K N 1.419 121.935 120.400 0.194 0.000 2.097 285 K HA -0.091 4.230 4.320 0.001 0.000 0.206 285 K C 2.076 178.768 176.600 0.153 0.000 1.049 285 K CA 1.508 57.874 56.287 0.131 0.000 0.933 285 K CB -0.807 31.729 32.500 0.061 0.000 0.717 285 K HN 0.317 nan 8.250 nan 0.000 0.442 286 G N 0.233 109.152 108.800 0.197 0.000 2.404 286 G HA2 -0.259 3.701 3.960 0.001 0.000 0.215 286 G HA3 -0.259 3.701 3.960 0.001 0.000 0.215 286 G C 1.425 176.589 174.900 0.440 0.000 1.174 286 G CA 0.655 45.992 45.100 0.395 0.000 0.780 286 G HN 0.511 nan 8.290 nan 0.000 0.537 287 W N 2.403 123.666 121.300 -0.063 0.000 2.354 287 W HA -0.130 4.530 4.660 0.001 0.000 0.315 287 W C 2.470 179.031 176.519 0.071 0.000 1.206 287 W CA 1.735 59.014 57.345 -0.110 0.000 1.290 287 W CB -0.021 29.291 29.460 -0.247 0.000 1.152 287 W HN 0.536 nan 8.180 nan 0.000 0.489 288 E N -0.207 120.020 120.200 0.044 0.000 2.274 288 E HA -0.046 4.305 4.350 0.001 0.000 0.194 288 E C 2.206 178.835 176.600 0.049 0.000 0.996 288 E CA 1.170 57.536 56.400 -0.057 0.000 0.840 288 E CB -1.056 28.704 29.700 0.100 0.000 0.772 288 E HN 0.240 nan 8.360 nan 0.000 0.491 289 G N 1.957 110.885 108.800 0.213 0.000 2.448 289 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 289 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 289 G C 1.593 176.821 174.900 0.546 0.000 1.127 289 G CA 0.532 45.860 45.100 0.381 0.000 0.766 289 G HN 0.164 nan 8.290 nan 0.000 0.552 290 L N 0.282 121.696 121.223 0.318 0.000 2.051 290 L HA -0.155 4.186 4.340 0.001 0.000 0.214 290 L C 2.914 179.921 176.870 0.228 0.000 1.076 290 L CA 1.249 56.126 54.840 0.061 0.000 0.758 290 L CB -0.314 41.570 42.059 -0.290 0.000 0.890 290 L HN 0.157 nan 8.230 nan 0.000 0.433 291 E N -0.079 120.200 120.200 0.131 0.000 2.130 291 E HA -0.266 4.085 4.350 0.001 0.000 0.196 291 E C 2.120 178.843 176.600 0.205 0.000 0.998 291 E CA 1.204 57.704 56.400 0.166 0.000 0.806 291 E CB -0.449 29.305 29.700 0.090 0.000 0.738 291 E HN 0.334 nan 8.360 nan 0.000 0.459 292 L N 0.043 121.430 121.223 0.273 0.000 2.261 292 L HA -0.181 4.159 4.340 0.001 0.000 0.216 292 L C 1.723 178.706 176.870 0.187 0.000 1.114 292 L CA 1.515 56.512 54.840 0.262 0.000 0.777 292 L CB -0.364 41.872 42.059 0.294 0.000 0.910 292 L HN 0.051 nan 8.230 nan 0.000 0.440 293 Y N -0.610 119.672 120.300 -0.028 0.000 2.517 293 Y HA 0.344 4.895 4.550 0.001 0.000 0.281 293 Y C 1.789 177.322 175.900 -0.611 0.000 1.125 293 Y CA -0.143 57.751 58.100 -0.344 0.000 1.283 293 Y CB -0.790 37.225 38.460 -0.741 0.000 1.042 293 Y HN 0.147 nan 8.280 nan 0.000 0.547 294 G N 0.222 108.841 108.800 -0.303 0.000 2.606 294 G HA2 0.438 4.398 3.960 0.001 0.000 0.252 294 G HA3 0.438 4.398 3.960 0.001 0.000 0.252 294 G C -1.094 173.464 174.900 -0.570 0.000 1.206 294 G CA -0.129 44.619 45.100 -0.587 0.000 0.861 294 G HN -0.082 nan 8.290 nan 0.000 0.561 295 V N 0.856 120.229 119.914 -0.900 0.000 2.733 295 V HA 0.288 4.409 4.120 0.001 0.000 0.306 295 V C -0.738 175.049 176.094 -0.512 0.000 1.084 295 V CA -1.061 60.894 62.300 -0.575 0.000 0.905 295 V CB 1.986 33.492 31.823 -0.529 0.000 1.010 295 V HN 0.712 nan 8.190 nan 0.000 0.424 296 E N 4.049 124.105 120.200 -0.239 0.000 2.223 296 E HA 0.437 4.788 4.350 0.001 0.000 0.282 296 E C -0.777 175.692 176.600 -0.219 0.000 1.046 296 E CA -0.204 56.123 56.400 -0.121 0.000 0.857 296 E CB 1.833 31.511 29.700 -0.038 0.000 1.055 296 E HN 0.487 nan 8.360 nan 0.000 0.409 297 L N 2.605 123.650 121.223 -0.297 0.000 2.350 297 L HA 0.073 4.413 4.340 0.001 0.000 0.275 297 L C 1.452 178.085 176.870 -0.394 0.000 1.099 297 L CA -0.393 54.186 54.840 -0.434 0.000 0.808 297 L CB 0.742 42.347 42.059 -0.758 0.000 1.149 297 L HN 0.481 nan 8.230 nan 0.000 0.442 298 D N 0.166 120.408 120.400 -0.264 0.000 2.221 298 D HA -0.295 4.345 4.640 0.001 0.000 0.204 298 D C 1.180 177.443 176.300 -0.063 0.000 0.982 298 D CA 1.344 55.272 54.000 -0.119 0.000 0.857 298 D CB -0.314 40.470 40.800 -0.027 0.000 0.934 298 D HN 0.614 nan 8.370 nan 0.000 0.475 299 Y N -1.746 118.555 120.300 0.003 0.000 2.470 299 Y HA 0.524 5.074 4.550 0.001 0.000 0.302 299 Y C 1.593 177.520 175.900 0.044 0.000 1.194 299 Y CA -0.865 57.252 58.100 0.028 0.000 1.271 299 Y CB -0.291 38.193 38.460 0.040 0.000 1.092 299 Y HN 0.053 nan 8.280 nan 0.000 0.513 300 G N -0.670 108.074 108.800 -0.093 0.000 2.176 300 G HA2 -0.213 3.748 3.960 0.001 0.000 0.253 300 G HA3 -0.213 3.748 3.960 0.001 0.000 0.253 300 G C 0.616 175.500 174.900 -0.026 0.000 0.979 300 G CA -0.126 44.968 45.100 -0.011 0.000 0.641 300 G HN 0.994 nan 8.290 nan 0.000 0.530 301 G N -1.371 107.265 108.800 -0.273 0.000 2.535 301 G HA2 0.536 4.496 3.960 0.001 0.000 0.303 301 G HA3 0.536 4.496 3.960 0.001 0.000 0.303 301 G C -0.766 174.111 174.900 -0.039 0.000 1.237 301 G CA -0.356 44.707 45.100 -0.062 0.000 0.986 301 G HN 0.916 nan 8.290 nan 0.000 0.494 302 W N 0.861 122.046 121.300 -0.191 0.000 3.129 302 W HA 0.634 5.294 4.660 0.001 0.000 0.333 302 W C -0.391 175.837 176.519 -0.486 0.000 1.141 302 W CA -1.036 56.141 57.345 -0.281 0.000 1.224 302 W CB 1.695 31.039 29.460 -0.193 0.000 1.393 302 W HN 0.703 nan 8.180 nan 0.000 0.499 303 M N 4.714 123.687 119.600 -1.046 0.000 2.690 303 M HA 0.713 5.193 4.480 0.001 0.000 0.302 303 M C -2.082 173.404 176.300 -1.357 0.000 1.234 303 M CA -0.895 53.715 55.300 -1.149 0.000 0.853 303 M CB 2.883 34.900 32.600 -0.972 0.000 1.748 303 M HN 0.426 nan 8.290 nan 0.000 0.469 304 F N 1.423 120.795 119.950 -0.963 0.000 2.477 304 F HA 0.479 5.006 4.527 0.001 0.000 0.335 304 F C -0.759 174.872 175.800 -0.282 0.000 1.130 304 F CA -0.327 57.263 58.000 -0.684 0.000 0.948 304 F CB 1.943 40.692 39.000 -0.419 0.000 1.154 304 F HN 0.715 nan 8.300 nan 0.000 0.439 305 Q N 4.503 124.027 119.800 -0.459 0.000 2.332 305 Q HA 0.367 4.707 4.340 0.001 0.000 0.263 305 Q C 0.983 177.057 176.000 0.122 0.000 0.979 305 Q CA 0.226 55.943 55.803 -0.144 0.000 0.885 305 Q CB 1.576 30.221 28.738 -0.154 0.000 1.218 305 Q HN 0.909 nan 8.270 nan 0.000 0.405 306 A N 2.333 125.276 122.820 0.206 0.000 1.972 306 A HA -0.092 4.229 4.320 0.001 0.000 0.219 306 A C 1.027 178.805 177.584 0.324 0.000 1.169 306 A CA 1.738 53.949 52.037 0.290 0.000 0.635 306 A CB 0.177 19.379 19.000 0.337 0.000 0.810 306 A HN 0.600 nan 8.150 nan 0.000 0.446 307 S N -2.608 113.284 115.700 0.319 0.000 2.703 307 S HA 0.588 5.059 4.470 0.001 0.000 0.273 307 S C -1.435 173.319 174.600 0.257 0.000 1.178 307 S CA -0.150 58.308 58.200 0.430 0.000 0.838 307 S CB 0.471 63.932 63.200 0.435 0.000 1.178 307 S HN 0.881 nan 8.310 nan 0.000 0.494 308 I N 0.393 121.032 120.570 0.113 0.000 2.689 308 I HA 0.704 4.875 4.170 0.001 0.000 0.299 308 I C -0.002 175.745 176.117 -0.616 0.000 1.059 308 I CA -0.736 60.479 61.300 -0.142 0.000 1.055 308 I CB 2.444 40.245 38.000 -0.330 0.000 1.243 308 I HN 0.588 nan 8.210 nan 0.000 0.425 309 S N 2.450 117.823 115.700 -0.544 0.000 2.588 309 S HA 0.376 4.847 4.470 0.001 0.000 0.245 309 S C -1.378 172.922 174.600 -0.500 0.000 1.021 309 S CA -0.903 56.719 58.200 -0.964 0.000 1.006 309 S CB -0.595 62.417 63.200 -0.314 0.000 0.830 309 S HN 0.695 nan 8.310 nan 0.000 0.468 310 P HA -0.198 nan 4.420 nan 0.000 0.214 310 P C 1.582 178.774 177.300 -0.181 0.000 1.172 310 P CA 1.266 63.955 63.100 -0.685 0.000 0.925 310 P CB -0.180 30.472 31.700 -1.747 0.000 0.793 311 V N -0.031 119.813 119.914 -0.116 0.000 2.231 311 V HA -0.243 3.878 4.120 0.001 0.000 0.248 311 V C 2.600 178.820 176.094 0.210 0.000 1.054 311 V CA 2.375 64.781 62.300 0.178 0.000 1.015 311 V CB -1.708 30.200 31.823 0.141 0.000 0.638 311 V HN 0.250 nan 8.190 nan 0.000 0.444 312 W N 1.056 122.353 121.300 -0.005 0.000 2.302 312 W HA -0.267 4.393 4.660 0.001 0.000 0.320 312 W C 2.362 178.923 176.519 0.071 0.000 1.241 312 W CA 2.226 59.632 57.345 0.101 0.000 1.264 312 W CB -0.334 29.323 29.460 0.330 0.000 1.154 312 W HN 0.368 nan 8.180 nan 0.000 0.483 313 D N -0.229 120.284 120.400 0.188 0.000 2.116 313 D HA -0.190 4.451 4.640 0.001 0.000 0.193 313 D C 2.062 178.339 176.300 -0.038 0.000 0.998 313 D CA 2.645 56.690 54.000 0.075 0.000 0.836 313 D CB -0.813 40.129 40.800 0.237 0.000 0.951 313 D HN 0.150 nan 8.370 nan 0.000 0.449 314 T N 0.190 114.813 114.554 0.115 0.000 2.708 314 T HA -0.104 4.247 4.350 0.001 0.000 0.266 314 T C 1.992 176.661 174.700 -0.052 0.000 1.037 314 T CA 1.553 63.772 62.100 0.197 0.000 1.146 314 T CB -0.756 68.290 68.868 0.297 0.000 0.865 314 T HN 0.268 nan 8.240 nan 0.000 0.435 315 G N 1.576 110.307 108.800 -0.114 0.000 2.491 315 G HA2 -0.183 3.777 3.960 0.001 0.000 0.218 315 G HA3 -0.183 3.777 3.960 0.001 0.000 0.218 315 G C 1.504 176.106 174.900 -0.496 0.000 1.180 315 G CA 0.747 45.681 45.100 -0.277 0.000 0.774 315 G HN 0.448 nan 8.290 nan 0.000 0.562 316 L N 0.679 121.518 121.223 -0.640 0.000 2.017 316 L HA -0.046 4.294 4.340 0.001 0.000 0.208 316 L C 3.471 179.912 176.870 -0.715 0.000 1.073 316 L CA 0.967 55.340 54.840 -0.780 0.000 0.745 316 L CB -0.606 40.898 42.059 -0.925 0.000 0.894 316 L HN 0.311 nan 8.230 nan 0.000 0.432 317 A N 0.108 122.493 122.820 -0.725 0.000 1.903 317 A HA -0.218 4.103 4.320 0.001 0.000 0.219 317 A C 2.359 179.448 177.584 -0.824 0.000 1.191 317 A CA 2.364 53.801 52.037 -0.999 0.000 0.638 317 A CB -1.053 16.879 19.000 -1.781 0.000 0.823 317 A HN 0.204 nan 8.150 nan 0.000 0.451 318 V N -0.001 119.552 119.914 -0.602 0.000 2.255 318 V HA -0.289 3.831 4.120 0.001 0.000 0.247 318 V C 2.585 178.440 176.094 -0.398 0.000 1.051 318 V CA 2.106 64.180 62.300 -0.377 0.000 1.018 318 V CB -0.858 30.834 31.823 -0.218 0.000 0.641 318 V HN 0.586 nan 8.190 nan 0.000 0.445 319 L N -0.040 120.875 121.223 -0.513 0.000 2.079 319 L HA -0.209 4.132 4.340 0.001 0.000 0.210 319 L C 2.675 179.288 176.870 -0.428 0.000 1.081 319 L CA 1.617 56.120 54.840 -0.561 0.000 0.752 319 L CB -0.764 40.781 42.059 -0.857 0.000 0.896 319 L HN 0.391 nan 8.230 nan 0.000 0.433 320 A N -0.044 122.505 122.820 -0.451 0.000 1.872 320 A HA -0.121 4.199 4.320 0.001 0.000 0.214 320 A C 2.227 179.659 177.584 -0.253 0.000 1.187 320 A CA 1.157 52.983 52.037 -0.351 0.000 0.614 320 A CB -0.648 18.105 19.000 -0.412 0.000 0.826 320 A HN 0.330 nan 8.150 nan 0.000 0.442 321 L N -0.909 120.144 121.223 -0.283 0.000 2.131 321 L HA -0.181 4.160 4.340 0.001 0.000 0.210 321 L C 2.888 179.681 176.870 -0.129 0.000 1.092 321 L CA 0.931 55.657 54.840 -0.189 0.000 0.759 321 L CB -0.402 41.531 42.059 -0.210 0.000 0.903 321 L HN 0.307 nan 8.230 nan 0.000 0.435 322 R N -0.029 120.381 120.500 -0.149 0.000 2.057 322 R HA -0.020 4.321 4.340 0.001 0.000 0.229 322 R C 2.334 178.595 176.300 -0.065 0.000 1.136 322 R CA 1.385 57.429 56.100 -0.092 0.000 0.952 322 R CB -0.892 29.343 30.300 -0.109 0.000 0.848 322 R HN 0.297 nan 8.270 nan 0.000 0.430 323 A N 1.315 124.080 122.820 -0.092 0.000 2.032 323 A HA -0.119 4.201 4.320 0.001 0.000 0.221 323 A C 2.274 179.841 177.584 -0.029 0.000 1.165 323 A CA 1.871 53.876 52.037 -0.053 0.000 0.645 323 A CB -0.456 18.502 19.000 -0.070 0.000 0.807 323 A HN 0.374 nan 8.150 nan 0.000 0.453 324 A N -2.415 120.381 122.820 -0.040 0.000 2.014 324 A HA 0.374 4.694 4.320 0.001 0.000 0.218 324 A C 1.947 179.544 177.584 0.022 0.000 1.163 324 A CA 1.778 53.813 52.037 -0.004 0.000 0.652 324 A CB -0.463 18.531 19.000 -0.011 0.000 0.808 324 A HN 1.672 nan 8.150 nan 0.000 0.449 325 G N -1.883 106.925 108.800 0.014 0.000 3.134 325 G HA2 -0.088 3.873 3.960 0.001 0.000 0.195 325 G HA3 -0.088 3.873 3.960 0.001 0.000 0.195 325 G C 0.207 175.137 174.900 0.050 0.000 1.054 325 G CA -0.190 44.931 45.100 0.036 0.000 0.828 325 G HN 0.287 nan 8.290 nan 0.000 0.462 326 L N 2.535 123.791 121.223 0.055 0.000 2.605 326 L HA 0.150 4.490 4.340 0.001 0.000 0.296 326 L C -1.708 175.225 176.870 0.105 0.000 1.255 326 L CA -0.723 54.187 54.840 0.116 0.000 0.879 326 L CB 0.068 42.166 42.059 0.065 0.000 1.124 326 L HN 0.088 nan 8.230 nan 0.000 0.507 327 P HA -0.007 nan 4.420 nan 0.000 0.268 327 P C 0.085 177.446 177.300 0.102 0.000 1.204 327 P CA -0.025 63.134 63.100 0.098 0.000 0.768 327 P CB 0.830 32.575 31.700 0.074 0.000 0.842 328 A N 3.115 125.973 122.820 0.064 0.000 2.234 328 A HA -0.177 4.143 4.320 0.001 0.000 0.216 328 A C 1.065 178.691 177.584 0.070 0.000 1.167 328 A CA 1.928 53.998 52.037 0.056 0.000 0.698 328 A CB -1.067 17.960 19.000 0.044 0.000 0.779 328 A HN 0.680 nan 8.150 nan 0.000 0.475 329 D N -3.360 117.088 120.400 0.080 0.000 2.513 329 D HA 0.040 4.680 4.640 0.001 0.000 0.222 329 D C 0.466 176.826 176.300 0.100 0.000 1.210 329 D CA -0.548 53.497 54.000 0.075 0.000 0.825 329 D CB -0.644 40.183 40.800 0.045 0.000 1.037 329 D HN 0.329 nan 8.370 nan 0.000 0.506 330 H N 2.520 121.603 119.070 0.020 0.000 3.167 330 H HA -0.078 4.479 4.556 0.001 0.000 0.306 330 H C 1.147 176.486 175.328 0.018 0.000 0.965 330 H CA 1.069 57.128 56.048 0.019 0.000 1.408 330 H CB 0.813 30.589 29.762 0.023 0.000 1.406 330 H HN 0.312 nan 8.280 nan 0.000 0.576 331 D N 4.331 124.828 120.400 0.161 0.000 2.271 331 D HA -0.208 4.432 4.640 0.001 0.000 0.207 331 D C 1.670 178.088 176.300 0.197 0.000 0.983 331 D CA 0.762 54.848 54.000 0.143 0.000 0.878 331 D CB 0.122 40.945 40.800 0.038 0.000 0.920 331 D HN 0.326 nan 8.370 nan 0.000 0.479 332 R N 0.105 120.839 120.500 0.389 0.000 2.127 332 R HA 0.234 4.575 4.340 0.001 0.000 0.217 332 R C 2.373 178.682 176.300 0.015 0.000 1.074 332 R CA 0.336 56.493 56.100 0.095 0.000 0.991 332 R CB -0.373 29.919 30.300 -0.013 0.000 0.895 332 R HN 0.236 nan 8.270 nan 0.000 0.450 333 L N -0.483 120.768 121.223 0.047 0.000 2.418 333 L HA 0.009 4.350 4.340 0.001 0.000 0.218 333 L C 1.624 178.546 176.870 0.087 0.000 1.125 333 L CA 0.261 55.138 54.840 0.062 0.000 0.835 333 L CB 0.016 42.097 42.059 0.037 0.000 0.953 333 L HN -0.001 nan 8.230 nan 0.000 0.454 334 V N -0.589 119.381 119.914 0.093 0.000 2.407 334 V HA -0.156 3.965 4.120 0.001 0.000 0.245 334 V C 2.470 178.613 176.094 0.082 0.000 1.041 334 V CA 1.167 63.519 62.300 0.086 0.000 1.040 334 V CB -0.364 31.507 31.823 0.080 0.000 0.671 334 V HN 0.332 nan 8.190 nan 0.000 0.455 335 K N 0.719 121.150 120.400 0.052 0.000 2.103 335 K HA -0.147 4.173 4.320 0.001 0.000 0.207 335 K C 2.254 178.904 176.600 0.083 0.000 1.048 335 K CA 1.668 57.974 56.287 0.032 0.000 0.930 335 K CB -0.682 31.781 32.500 -0.061 0.000 0.716 335 K HN 0.486 nan 8.250 nan 0.000 0.444 336 A N 0.953 123.819 122.820 0.076 0.000 1.855 336 A HA -0.049 4.272 4.320 0.001 0.000 0.215 336 A C 2.524 180.258 177.584 0.251 0.000 1.191 336 A CA 2.012 54.148 52.037 0.165 0.000 0.613 336 A CB -1.159 17.969 19.000 0.214 0.000 0.829 336 A HN 0.369 nan 8.150 nan 0.000 0.442 337 G N -0.307 108.596 108.800 0.171 0.000 2.446 337 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 337 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 337 G C 1.403 176.406 174.900 0.171 0.000 1.168 337 G CA 1.089 46.280 45.100 0.151 0.000 0.771 337 G HN 0.485 nan 8.290 nan 0.000 0.551 338 E N -0.181 120.117 120.200 0.163 0.000 2.058 338 E HA -0.180 4.171 4.350 0.001 0.000 0.194 338 E C 2.042 178.754 176.600 0.186 0.000 0.997 338 E CA 1.100 57.588 56.400 0.146 0.000 0.801 338 E CB -0.444 29.331 29.700 0.125 0.000 0.746 338 E HN 0.678 nan 8.360 nan 0.000 0.450 339 W N 1.701 123.039 121.300 0.063 0.000 2.335 339 W HA -0.161 4.500 4.660 0.001 0.000 0.311 339 W C 2.142 178.720 176.519 0.099 0.000 1.213 339 W CA 1.421 58.815 57.345 0.081 0.000 1.274 339 W CB -0.421 29.106 29.460 0.112 0.000 1.148 339 W HN -0.019 nan 8.180 nan 0.000 0.498 340 L N -0.014 121.400 121.223 0.317 0.000 2.083 340 L HA -0.260 4.081 4.340 0.001 0.000 0.209 340 L C 2.487 179.438 176.870 0.136 0.000 1.083 340 L CA 1.156 56.095 54.840 0.164 0.000 0.752 340 L CB -0.944 41.222 42.059 0.178 0.000 0.899 340 L HN 0.089 nan 8.230 nan 0.000 0.433 341 L N -0.489 120.808 121.223 0.123 0.000 2.046 341 L HA -0.238 4.102 4.340 0.001 0.000 0.208 341 L C 1.946 178.822 176.870 0.010 0.000 1.077 341 L CA 1.128 56.035 54.840 0.113 0.000 0.747 341 L CB -0.582 41.530 42.059 0.087 0.000 0.896 341 L HN 0.310 nan 8.230 nan 0.000 0.432 342 D N -0.476 119.875 120.400 -0.081 0.000 2.378 342 D HA -0.097 4.544 4.640 0.001 0.000 0.222 342 D C 2.192 178.345 176.300 -0.246 0.000 0.980 342 D CA 0.530 54.431 54.000 -0.165 0.000 0.907 342 D CB 0.028 40.706 40.800 -0.204 0.000 0.899 342 D HN 0.186 nan 8.370 nan 0.000 0.527 343 R N 0.351 120.706 120.500 -0.241 0.000 2.140 343 R HA 0.047 4.388 4.340 0.001 0.000 0.213 343 R C 0.886 177.037 176.300 -0.248 0.000 1.059 343 R CA -0.049 55.901 56.100 -0.250 0.000 1.000 343 R CB -0.522 29.644 30.300 -0.225 0.000 0.910 343 R HN 0.311 nan 8.270 nan 0.000 0.455 344 Q N 1.595 121.193 119.800 -0.338 0.000 2.398 344 Q HA -0.097 4.244 4.340 0.001 0.000 0.329 344 Q C -0.450 175.214 176.000 -0.561 0.000 1.079 344 Q CA 0.385 55.672 55.803 -0.859 0.000 1.041 344 Q CB 0.409 28.755 28.738 -0.654 0.000 1.084 344 Q HN 0.015 nan 8.270 nan 0.000 0.386 345 I N 4.521 124.721 120.570 -0.618 0.000 2.441 345 I HA 0.035 4.206 4.170 0.001 0.000 0.287 345 I C 1.230 177.155 176.117 -0.320 0.000 1.049 345 I CA 0.259 61.324 61.300 -0.391 0.000 1.381 345 I CB 0.739 38.529 38.000 -0.349 0.000 1.409 345 I HN 0.851 nan 8.210 nan 0.000 0.523 346 T N 2.052 116.486 114.554 -0.200 0.000 3.132 346 T HA 0.319 4.670 4.350 0.001 0.000 0.274 346 T C 0.134 174.812 174.700 -0.036 0.000 1.011 346 T CA -0.300 61.730 62.100 -0.117 0.000 0.899 346 T CB -0.393 68.414 68.868 -0.102 0.000 1.089 346 T HN 0.413 nan 8.240 nan 0.000 0.543 347 V N -2.122 117.779 119.914 -0.021 0.000 2.960 347 V HA 0.827 4.948 4.120 0.001 0.000 0.315 347 V C -3.227 172.928 176.094 0.101 0.000 1.087 347 V CA -3.219 59.096 62.300 0.026 0.000 0.982 347 V CB 1.481 33.302 31.823 -0.005 0.000 1.039 347 V HN -0.126 nan 8.190 nan 0.000 0.437 348 P HA 0.461 nan 4.420 nan 0.000 0.271 348 P C 0.116 177.261 177.300 -0.257 0.000 1.216 348 P CA 0.581 63.535 63.100 -0.244 0.000 0.771 348 P CB 0.943 32.447 31.700 -0.328 0.000 0.864 349 G N 1.096 109.514 108.800 -0.638 0.000 2.938 349 G HA2 0.154 4.114 3.960 0.001 0.000 0.258 349 G HA3 0.154 4.114 3.960 0.001 0.000 0.258 349 G C 0.281 174.847 174.900 -0.557 0.000 1.356 349 G CA -0.368 44.534 45.100 -0.331 0.000 1.052 349 G HN 0.253 nan 8.290 nan 0.000 0.550 350 D N -0.273 120.000 120.400 -0.212 0.000 2.263 350 D HA -0.091 4.549 4.640 0.001 0.000 0.208 350 D C 2.247 178.609 176.300 0.102 0.000 0.971 350 D CA 1.020 55.051 54.000 0.052 0.000 0.867 350 D CB -0.071 40.970 40.800 0.402 0.000 0.929 350 D HN 0.622 nan 8.370 nan 0.000 0.492 351 W N 0.783 122.243 121.300 0.266 0.000 2.374 351 W HA 0.013 4.674 4.660 0.001 0.000 0.288 351 W C 1.673 178.299 176.519 0.178 0.000 1.218 351 W CA 0.733 58.243 57.345 0.274 0.000 1.245 351 W CB -1.076 28.623 29.460 0.400 0.000 1.126 351 W HN -0.063 nan 8.180 nan 0.000 0.545 352 A N 1.324 123.828 122.820 -0.528 0.000 2.225 352 A HA 0.033 4.354 4.320 0.001 0.000 0.215 352 A C 2.141 179.619 177.584 -0.177 0.000 1.164 352 A CA 1.554 53.326 52.037 -0.442 0.000 0.710 352 A CB -0.730 17.765 19.000 -0.841 0.000 0.780 352 A HN 0.148 nan 8.150 nan 0.000 0.473 353 V N -0.147 119.670 119.914 -0.162 0.000 2.626 353 V HA -0.148 3.973 4.120 0.001 0.000 0.252 353 V C 1.986 178.028 176.094 -0.088 0.000 1.067 353 V CA 1.856 64.035 62.300 -0.201 0.000 1.081 353 V CB -0.340 31.231 31.823 -0.421 0.000 0.686 353 V HN 0.447 nan 8.190 nan 0.000 0.468 354 K N -0.285 120.124 120.400 0.015 0.000 2.358 354 K HA 0.270 4.590 4.320 0.001 0.000 0.200 354 K C 0.300 176.951 176.600 0.085 0.000 1.030 354 K CA 0.008 56.324 56.287 0.049 0.000 1.097 354 K CB 0.709 33.258 32.500 0.081 0.000 0.862 354 K HN 0.207 nan 8.250 nan 0.000 0.534 355 R N 0.350 120.926 120.500 0.128 0.000 2.734 355 R HA 0.168 4.509 4.340 0.001 0.000 0.242 355 R C -2.474 173.936 176.300 0.183 0.000 1.617 355 R CA -1.155 55.056 56.100 0.184 0.000 1.572 355 R CB 0.891 31.375 30.300 0.307 0.000 1.477 355 R HN -0.114 nan 8.270 nan 0.000 0.707 356 P HA -0.031 nan 4.420 nan 0.000 0.220 356 P C 0.294 177.641 177.300 0.077 0.000 1.148 356 P CA 1.131 64.249 63.100 0.030 0.000 0.803 356 P CB 0.250 31.948 31.700 -0.003 0.000 0.782 357 N N -0.917 117.847 118.700 0.106 0.000 2.279 357 N HA 0.110 4.851 4.740 0.001 0.000 0.226 357 N C -0.413 175.198 175.510 0.168 0.000 1.126 357 N CA -0.414 52.703 53.050 0.112 0.000 0.846 357 N CB 0.113 38.647 38.487 0.078 0.000 1.050 357 N HN 0.040 nan 8.380 nan 0.000 0.502 358 L N 1.839 123.224 121.223 0.271 0.000 2.272 358 L HA 0.281 4.622 4.340 0.001 0.000 0.289 358 L C -0.323 176.825 176.870 0.463 0.000 1.032 358 L CA -0.659 54.392 54.840 0.353 0.000 0.810 358 L CB 0.642 42.951 42.059 0.417 0.000 1.205 358 L HN -0.169 nan 8.230 nan 0.000 0.422 359 K N 6.035 126.636 120.400 0.335 0.000 2.412 359 K HA 0.256 4.577 4.320 0.001 0.000 0.281 359 K C -2.310 174.515 176.600 0.375 0.000 1.027 359 K CA -1.610 54.859 56.287 0.304 0.000 0.989 359 K CB 0.260 32.873 32.500 0.188 0.000 0.935 359 K HN 0.430 nan 8.250 nan 0.000 0.475 360 P HA 0.042 nan 4.420 nan 0.000 0.268 360 P C 0.414 177.642 177.300 -0.120 0.000 1.204 360 P CA 0.236 63.429 63.100 0.156 0.000 0.768 360 P CB 0.620 32.436 31.700 0.193 0.000 0.842 361 G N 1.530 110.032 108.800 -0.497 0.000 3.988 361 G HA2 0.257 4.218 3.960 0.001 0.000 0.195 361 G HA3 0.257 4.218 3.960 0.001 0.000 0.195 361 G C 0.401 174.949 174.900 -0.586 0.000 1.060 361 G CA 0.208 45.089 45.100 -0.365 0.000 0.847 361 G HN 0.724 nan 8.290 nan 0.000 0.515 362 G N -0.181 107.912 108.800 -1.179 0.000 2.563 362 G HA2 0.593 4.554 3.960 0.001 0.000 0.283 362 G HA3 0.593 4.554 3.960 0.001 0.000 0.283 362 G C -0.960 173.473 174.900 -0.779 0.000 1.309 362 G CA -0.617 43.872 45.100 -1.018 0.000 1.022 362 G HN 0.061 nan 8.290 nan 0.000 0.501 363 F N -1.124 118.648 119.950 -0.296 0.000 2.588 363 F HA 0.673 5.200 4.527 0.001 0.000 0.314 363 F C 0.611 176.383 175.800 -0.047 0.000 1.069 363 F CA -0.745 57.173 58.000 -0.137 0.000 0.931 363 F CB 2.024 40.997 39.000 -0.045 0.000 1.260 363 F HN 0.657 nan 8.300 nan 0.000 0.465 364 A N 1.237 124.167 122.820 0.184 0.000 2.248 364 A HA 0.525 4.846 4.320 0.001 0.000 0.316 364 A C 0.171 177.912 177.584 0.261 0.000 1.101 364 A CA -0.241 51.923 52.037 0.211 0.000 0.875 364 A CB 0.241 19.332 19.000 0.152 0.000 1.207 364 A HN 0.820 nan 8.150 nan 0.000 0.504 365 F N -0.037 119.965 119.950 0.086 0.000 2.179 365 F HA 0.010 4.538 4.527 0.001 0.000 0.292 365 F C 1.708 177.489 175.800 -0.033 0.000 1.089 365 F CA 1.498 59.523 58.000 0.042 0.000 1.295 365 F CB -0.078 38.928 39.000 0.010 0.000 1.041 365 F HN 0.632 nan 8.300 nan 0.000 0.487 366 Q N -0.384 119.393 119.800 -0.038 0.000 2.214 366 Q HA 0.096 4.436 4.340 0.001 0.000 0.168 366 Q C 1.084 176.887 176.000 -0.329 0.000 1.047 366 Q CA -0.249 55.351 55.803 -0.338 0.000 1.102 366 Q CB -0.852 27.808 28.738 -0.130 0.000 1.458 366 Q HN 0.212 nan 8.270 nan 0.000 0.561 367 F N 0.450 120.243 119.950 -0.263 0.000 2.074 367 F HA -0.009 4.519 4.527 0.001 0.000 0.293 367 F C 0.848 176.522 175.800 -0.210 0.000 1.116 367 F CA 1.349 59.189 58.000 -0.266 0.000 1.212 367 F CB -0.023 38.783 39.000 -0.325 0.000 0.998 367 F HN 0.503 nan 8.300 nan 0.000 0.471 368 D N -0.581 119.843 120.400 0.041 0.000 2.389 368 D HA 0.185 4.826 4.640 0.001 0.000 0.256 368 D C -1.236 175.020 176.300 -0.074 0.000 1.239 368 D CA -0.153 53.812 54.000 -0.058 0.000 0.925 368 D CB -0.006 40.743 40.800 -0.086 0.000 1.145 368 D HN -0.014 nan 8.370 nan 0.000 0.542 369 N N 3.573 122.231 118.700 -0.070 0.000 2.716 369 N HA 0.030 4.771 4.740 0.001 0.000 0.245 369 N C 0.844 176.301 175.510 -0.087 0.000 1.495 369 N CA -0.332 52.697 53.050 -0.035 0.000 0.759 369 N CB 0.684 39.238 38.487 0.112 0.000 1.261 369 N HN 0.134 nan 8.380 nan 0.000 0.515 370 V N 0.156 119.889 119.914 -0.301 0.000 2.490 370 V HA -0.105 4.016 4.120 0.001 0.000 0.250 370 V C 1.187 177.057 176.094 -0.373 0.000 1.061 370 V CA 1.325 63.386 62.300 -0.399 0.000 1.064 370 V CB -1.116 30.362 31.823 -0.575 0.000 0.670 370 V HN 0.344 nan 8.190 nan 0.000 0.461 371 Y N -0.431 119.769 120.300 -0.166 0.000 2.583 371 Y HA 0.271 4.822 4.550 0.001 0.000 0.293 371 Y C 0.632 176.196 175.900 -0.560 0.000 1.157 371 Y CA -0.363 57.490 58.100 -0.413 0.000 1.315 371 Y CB -0.619 37.446 38.460 -0.658 0.000 1.021 371 Y HN 0.417 nan 8.280 nan 0.000 0.536 372 Y N 0.535 121.020 120.300 0.308 0.000 2.477 372 Y HA 0.349 4.899 4.550 0.001 0.000 0.340 372 Y C -2.508 173.658 175.900 0.443 0.000 0.987 372 Y CA -3.595 54.751 58.100 0.409 0.000 1.127 372 Y CB 0.159 38.786 38.460 0.279 0.000 1.139 372 Y HN -0.097 nan 8.280 nan 0.000 0.637 373 P HA 0.125 nan 4.420 nan 0.000 0.274 373 P C -0.612 176.905 177.300 0.361 0.000 1.237 373 P CA 0.032 63.254 63.100 0.203 0.000 0.793 373 P CB 1.780 33.316 31.700 -0.274 0.000 0.977 374 D N -0.066 120.453 120.400 0.198 0.000 2.575 374 D HA 0.111 4.752 4.640 0.001 0.000 0.236 374 D C 0.873 177.266 176.300 0.155 0.000 1.075 374 D CA -0.853 53.155 54.000 0.013 0.000 0.860 374 D CB 1.855 42.340 40.800 -0.523 0.000 1.475 374 D HN -0.026 nan 8.370 nan 0.000 0.474 375 V N 1.268 121.264 119.914 0.136 0.000 2.469 375 V HA -0.238 3.882 4.120 0.001 0.000 0.251 375 V C 1.944 178.050 176.094 0.019 0.000 1.064 375 V CA 1.881 64.250 62.300 0.116 0.000 1.066 375 V CB -0.591 31.235 31.823 0.005 0.000 0.667 375 V HN 0.670 nan 8.190 nan 0.000 0.461 376 D N 0.036 120.400 120.400 -0.059 0.000 2.078 376 D HA -0.164 4.476 4.640 0.001 0.000 0.193 376 D C 2.025 178.439 176.300 0.192 0.000 0.990 376 D CA 1.390 55.397 54.000 0.012 0.000 0.827 376 D CB -0.208 40.447 40.800 -0.241 0.000 0.975 376 D HN 0.396 nan 8.370 nan 0.000 0.451 377 D N -0.510 119.981 120.400 0.152 0.000 2.097 377 D HA -0.107 4.533 4.640 0.001 0.000 0.195 377 D C 1.894 178.297 176.300 0.171 0.000 0.989 377 D CA 1.274 55.453 54.000 0.299 0.000 0.827 377 D CB -0.164 40.807 40.800 0.284 0.000 0.966 377 D HN 0.237 nan 8.370 nan 0.000 0.456 378 T N 0.973 115.655 114.554 0.214 0.000 2.759 378 T HA -0.123 4.227 4.350 0.001 0.000 0.269 378 T C 2.010 176.790 174.700 0.133 0.000 1.042 378 T CA 1.376 63.642 62.100 0.277 0.000 1.140 378 T CB -0.133 68.991 68.868 0.426 0.000 0.864 378 T HN 0.183 nan 8.240 nan 0.000 0.455 379 A N 0.778 123.642 122.820 0.072 0.000 1.929 379 A HA 0.060 4.381 4.320 0.001 0.000 0.216 379 A C 2.547 180.185 177.584 0.091 0.000 1.176 379 A CA 0.931 52.966 52.037 -0.003 0.000 0.628 379 A CB -0.673 18.244 19.000 -0.137 0.000 0.816 379 A HN 0.368 nan 8.150 nan 0.000 0.444 380 V N -0.489 119.471 119.914 0.076 0.000 2.379 380 V HA -0.164 3.957 4.120 0.001 0.000 0.245 380 V C 2.528 178.535 176.094 -0.145 0.000 1.044 380 V CA 1.721 64.001 62.300 -0.034 0.000 1.036 380 V CB -0.650 31.068 31.823 -0.175 0.000 0.664 380 V HN 0.341 nan 8.190 nan 0.000 0.453 381 V N -0.166 119.628 119.914 -0.200 0.000 2.270 381 V HA -0.207 3.914 4.120 0.001 0.000 0.245 381 V C 2.471 178.421 176.094 -0.240 0.000 1.043 381 V CA 1.895 63.963 62.300 -0.387 0.000 1.014 381 V CB -0.461 30.779 31.823 -0.972 0.000 0.645 381 V HN 0.385 nan 8.190 nan 0.000 0.447 382 V N -0.655 119.201 119.914 -0.097 0.000 2.332 382 V HA -0.290 3.831 4.120 0.001 0.000 0.248 382 V C 2.106 178.356 176.094 0.260 0.000 1.055 382 V CA 2.446 64.849 62.300 0.172 0.000 1.038 382 V CB -0.769 31.253 31.823 0.331 0.000 0.651 382 V HN 0.839 nan 8.190 nan 0.000 0.450 383 W N 1.350 122.625 121.300 -0.042 0.000 2.355 383 W HA -0.153 4.507 4.660 0.001 0.000 0.309 383 W C 2.472 178.898 176.519 -0.156 0.000 1.206 383 W CA 1.773 59.028 57.345 -0.149 0.000 1.284 383 W CB -0.928 28.421 29.460 -0.185 0.000 1.145 383 W HN 0.212 nan 8.180 nan 0.000 0.502 384 A N 0.769 123.466 122.820 -0.205 0.000 1.902 384 A HA -0.175 4.146 4.320 0.001 0.000 0.217 384 A C 2.337 179.858 177.584 -0.105 0.000 1.181 384 A CA 1.896 53.737 52.037 -0.327 0.000 0.623 384 A CB -1.118 17.666 19.000 -0.361 0.000 0.818 384 A HN 0.380 nan 8.150 nan 0.000 0.443 385 L N -0.459 120.754 121.223 -0.017 0.000 2.042 385 L HA -0.236 4.105 4.340 0.001 0.000 0.210 385 L C 2.509 179.435 176.870 0.095 0.000 1.076 385 L CA 1.704 56.578 54.840 0.057 0.000 0.749 385 L CB -0.612 41.514 42.059 0.111 0.000 0.893 385 L HN 0.517 nan 8.230 nan 0.000 0.432 386 N N -0.060 118.716 118.700 0.125 0.000 2.258 386 N HA -0.193 4.548 4.740 0.001 0.000 0.187 386 N C 1.452 176.997 175.510 0.058 0.000 1.012 386 N CA 1.753 54.864 53.050 0.102 0.000 0.870 386 N CB -0.068 38.327 38.487 -0.154 0.000 0.977 386 N HN 0.385 nan 8.380 nan 0.000 0.434 387 T N -2.361 112.216 114.554 0.038 0.000 3.278 387 T HA 0.304 4.655 4.350 0.001 0.000 0.251 387 T C 0.355 175.067 174.700 0.020 0.000 1.039 387 T CA -0.328 61.785 62.100 0.023 0.000 0.935 387 T CB -0.463 68.397 68.868 -0.013 0.000 1.034 387 T HN 0.004 nan 8.240 nan 0.000 0.575 388 L N 0.257 121.504 121.223 0.040 0.000 2.333 388 L HA 0.637 4.978 4.340 0.001 0.000 0.263 388 L C 0.012 176.919 176.870 0.061 0.000 1.014 388 L CA -1.427 53.441 54.840 0.047 0.000 0.820 388 L CB 2.285 44.373 42.059 0.047 0.000 1.352 388 L HN -0.082 nan 8.230 nan 0.000 0.421 389 R N 2.416 122.952 120.500 0.059 0.000 2.310 389 R HA 0.558 4.898 4.340 0.001 0.000 0.316 389 R C -1.121 175.214 176.300 0.059 0.000 1.004 389 R CA -0.503 55.632 56.100 0.058 0.000 0.900 389 R CB 1.128 31.458 30.300 0.050 0.000 1.152 389 R HN 0.468 nan 8.270 nan 0.000 0.513 390 L N 3.497 124.758 121.223 0.063 0.000 2.375 390 L HA 0.374 4.715 4.340 0.001 0.000 0.268 390 L C -1.293 175.608 176.870 0.052 0.000 1.058 390 L CA -2.138 52.739 54.840 0.062 0.000 0.803 390 L CB 1.041 43.142 42.059 0.071 0.000 1.212 390 L HN 0.161 nan 8.230 nan 0.000 0.451 391 P HA -0.178 nan 4.420 nan 0.000 0.214 391 P C 0.052 177.374 177.300 0.036 0.000 1.163 391 P CA 1.183 64.305 63.100 0.037 0.000 0.889 391 P CB 0.124 31.845 31.700 0.035 0.000 0.790 392 D N -0.326 120.098 120.400 0.040 0.000 2.619 392 D HA -0.018 4.622 4.640 0.001 0.000 0.224 392 D C 1.142 177.469 176.300 0.044 0.000 1.133 392 D CA -0.002 54.021 54.000 0.037 0.000 1.017 392 D CB -0.503 40.318 40.800 0.035 0.000 1.077 392 D HN -0.077 nan 8.370 nan 0.000 0.503 393 E N 1.196 121.422 120.200 0.044 0.000 2.233 393 E HA -0.257 4.094 4.350 0.001 0.000 0.199 393 E C 1.664 178.293 176.600 0.048 0.000 1.004 393 E CA 0.574 57.003 56.400 0.050 0.000 0.819 393 E CB 0.155 29.881 29.700 0.044 0.000 0.738 393 E HN 0.344 nan 8.360 nan 0.000 0.478 394 R N 1.370 121.893 120.500 0.038 0.000 2.082 394 R HA -0.110 4.230 4.340 0.001 0.000 0.234 394 R C 2.208 178.532 176.300 0.039 0.000 1.136 394 R CA 2.144 58.264 56.100 0.033 0.000 0.935 394 R CB -0.713 29.601 30.300 0.024 0.000 0.842 394 R HN 0.035 nan 8.270 nan 0.000 0.430 395 R N -0.273 120.252 120.500 0.041 0.000 2.092 395 R HA -0.016 4.324 4.340 0.001 0.000 0.231 395 R C 2.543 178.885 176.300 0.070 0.000 1.119 395 R CA 1.637 57.765 56.100 0.047 0.000 0.970 395 R CB -0.235 30.089 30.300 0.041 0.000 0.864 395 R HN 0.238 nan 8.270 nan 0.000 0.440 396 R N 0.021 120.568 120.500 0.080 0.000 2.081 396 R HA -0.171 4.170 4.340 0.001 0.000 0.235 396 R C 2.204 178.574 176.300 0.118 0.000 1.131 396 R CA 1.683 57.847 56.100 0.107 0.000 0.960 396 R CB -0.110 30.251 30.300 0.103 0.000 0.856 396 R HN -0.026 nan 8.270 nan 0.000 0.436 397 R N 0.883 121.437 120.500 0.091 0.000 2.073 397 R HA -0.143 4.198 4.340 0.001 0.000 0.234 397 R C 1.624 177.963 176.300 0.065 0.000 1.134 397 R CA 2.334 58.482 56.100 0.079 0.000 0.952 397 R CB -0.764 29.567 30.300 0.052 0.000 0.850 397 R HN 0.275 nan 8.270 nan 0.000 0.433 398 D N -0.766 119.668 120.400 0.057 0.000 2.097 398 D HA -0.035 4.605 4.640 0.001 0.000 0.197 398 D C 1.693 178.034 176.300 0.069 0.000 0.984 398 D CA 1.750 55.777 54.000 0.047 0.000 0.826 398 D CB -0.175 40.645 40.800 0.034 0.000 0.973 398 D HN 0.338 nan 8.370 nan 0.000 0.460 399 A N 0.126 123.002 122.820 0.094 0.000 1.883 399 A HA -0.201 4.119 4.320 0.001 0.000 0.217 399 A C 2.279 179.981 177.584 0.196 0.000 1.186 399 A CA 1.619 53.735 52.037 0.131 0.000 0.624 399 A CB -0.662 18.440 19.000 0.169 0.000 0.822 399 A HN 0.275 nan 8.150 nan 0.000 0.444 400 M N -0.816 118.911 119.600 0.211 0.000 2.149 400 M HA -0.143 4.338 4.480 0.001 0.000 0.261 400 M C 2.240 178.658 176.300 0.197 0.000 1.064 400 M CA 2.001 57.462 55.300 0.269 0.000 1.102 400 M CB -0.766 32.017 32.600 0.306 0.000 1.369 400 M HN 0.477 nan 8.290 nan 0.000 0.408 401 T N 0.441 115.047 114.554 0.087 0.000 2.701 401 T HA -0.120 4.231 4.350 0.001 0.000 0.263 401 T C 1.787 176.556 174.700 0.115 0.000 1.040 401 T CA 1.198 63.307 62.100 0.016 0.000 1.147 401 T CB -0.162 68.684 68.868 -0.037 0.000 0.865 401 T HN 0.352 nan 8.240 nan 0.000 0.426 402 K N 0.568 121.036 120.400 0.114 0.000 2.032 402 K HA -0.078 4.243 4.320 0.001 0.000 0.209 402 K C 2.609 179.332 176.600 0.205 0.000 1.048 402 K CA 1.369 57.732 56.287 0.126 0.000 0.927 402 K CB -0.603 31.931 32.500 0.057 0.000 0.712 402 K HN 0.382 nan 8.250 nan 0.000 0.441 403 G N 1.032 109.974 108.800 0.237 0.000 2.433 403 G HA2 -0.285 3.675 3.960 0.001 0.000 0.216 403 G HA3 -0.285 3.675 3.960 0.001 0.000 0.216 403 G C 1.344 176.486 174.900 0.404 0.000 1.186 403 G CA 0.629 45.929 45.100 0.334 0.000 0.779 403 G HN 0.222 nan 8.290 nan 0.000 0.543 404 F N 1.909 121.979 119.950 0.201 0.000 2.091 404 F HA -0.112 4.415 4.527 0.001 0.000 0.299 404 F C 2.909 178.828 175.800 0.199 0.000 1.103 404 F CA 1.859 59.966 58.000 0.178 0.000 1.228 404 F CB -0.248 38.710 39.000 -0.070 0.000 0.984 404 F HN 0.015 nan 8.300 nan 0.000 0.477 405 R N -1.473 119.333 120.500 0.511 0.000 2.096 405 R HA -0.236 4.105 4.340 0.001 0.000 0.235 405 R C 2.131 178.618 176.300 0.312 0.000 1.127 405 R CA 1.702 58.029 56.100 0.379 0.000 0.968 405 R CB -1.121 29.321 30.300 0.237 0.000 0.861 405 R HN 0.504 nan 8.270 nan 0.000 0.440 406 W N 1.675 123.044 121.300 0.114 0.000 2.358 406 W HA -0.107 4.553 4.660 0.001 0.000 0.303 406 W C 1.713 178.258 176.519 0.044 0.000 1.208 406 W CA 1.244 58.590 57.345 0.001 0.000 1.274 406 W CB -0.248 29.147 29.460 -0.108 0.000 1.138 406 W HN -0.077 nan 8.180 nan 0.000 0.515 407 I N -0.290 120.399 120.570 0.197 0.000 2.127 407 I HA -0.361 3.810 4.170 0.001 0.000 0.241 407 I C 2.196 178.465 176.117 0.253 0.000 1.075 407 I CA 1.650 62.987 61.300 0.060 0.000 1.334 407 I CB -1.184 36.812 38.000 -0.007 0.000 1.040 407 I HN -0.218 nan 8.210 nan 0.000 0.405 408 V N 1.124 121.231 119.914 0.322 0.000 2.380 408 V HA -0.263 3.858 4.120 0.001 0.000 0.251 408 V C 2.483 178.683 176.094 0.177 0.000 1.063 408 V CA 2.230 64.751 62.300 0.369 0.000 1.055 408 V CB -1.455 30.579 31.823 0.352 0.000 0.657 408 V HN 0.625 nan 8.190 nan 0.000 0.455 409 G N -1.305 107.527 108.800 0.053 0.000 2.534 409 G HA2 -0.140 3.820 3.960 0.001 0.000 0.217 409 G HA3 -0.140 3.820 3.960 0.001 0.000 0.217 409 G C 1.363 176.155 174.900 -0.180 0.000 1.128 409 G CA 0.291 45.356 45.100 -0.057 0.000 0.784 409 G HN 0.350 nan 8.290 nan 0.000 0.542 410 M N 0.315 119.758 119.600 -0.263 0.000 2.556 410 M HA 0.159 4.640 4.480 0.001 0.000 0.245 410 M C 1.207 177.340 176.300 -0.277 0.000 1.128 410 M CA -0.141 54.967 55.300 -0.320 0.000 1.069 410 M CB -0.614 31.646 32.600 -0.566 0.000 1.469 410 M HN 0.323 nan 8.290 nan 0.000 0.494 411 Q N 1.087 120.638 119.800 -0.416 0.000 2.304 411 Q HA 0.013 4.353 4.340 0.001 0.000 0.301 411 Q C -0.356 175.241 176.000 -0.671 0.000 1.063 411 Q CA 0.373 55.489 55.803 -1.146 0.000 0.947 411 Q CB 0.819 28.906 28.738 -1.084 0.000 1.201 411 Q HN 0.163 nan 8.270 nan 0.000 0.389 412 S N 1.443 116.734 115.700 -0.682 0.000 2.713 412 S HA 0.151 4.621 4.470 0.001 0.000 0.277 412 S C 1.003 175.394 174.600 -0.348 0.000 1.168 412 S CA -0.561 57.404 58.200 -0.392 0.000 0.994 412 S CB 1.424 64.441 63.200 -0.305 0.000 1.054 412 S HN 0.772 nan 8.310 nan 0.000 0.555 413 S N 2.081 117.644 115.700 -0.228 0.000 2.359 413 S HA -0.173 4.298 4.470 0.001 0.000 0.224 413 S C 1.619 176.110 174.600 -0.181 0.000 1.035 413 S CA 1.907 60.001 58.200 -0.176 0.000 1.018 413 S CB -0.718 62.415 63.200 -0.111 0.000 0.876 413 S HN 0.832 nan 8.310 nan 0.000 0.448 414 N N 0.942 119.526 118.700 -0.193 0.000 2.573 414 N HA 0.131 4.871 4.740 0.001 0.000 0.187 414 N C 1.010 176.398 175.510 -0.203 0.000 1.107 414 N CA 0.966 53.927 53.050 -0.149 0.000 0.918 414 N CB -0.443 37.975 38.487 -0.115 0.000 0.966 414 N HN 0.423 nan 8.380 nan 0.000 0.448 415 G N -2.480 106.112 108.800 -0.346 0.000 2.141 415 G HA2 -0.094 3.866 3.960 0.001 0.000 0.231 415 G HA3 -0.094 3.866 3.960 0.001 0.000 0.231 415 G C 0.145 174.735 174.900 -0.517 0.000 0.984 415 G CA -0.150 44.725 45.100 -0.375 0.000 0.660 415 G HN 0.829 nan 8.290 nan 0.000 0.525 416 G N -1.710 106.639 108.800 -0.751 0.000 2.714 416 G HA2 0.609 4.570 3.960 0.001 0.000 0.292 416 G HA3 0.609 4.570 3.960 0.001 0.000 0.292 416 G C -0.580 174.010 174.900 -0.516 0.000 1.308 416 G CA -1.010 43.688 45.100 -0.669 0.000 0.964 416 G HN 0.262 nan 8.290 nan 0.000 0.484 417 W N -0.046 121.104 121.300 -0.251 0.000 2.606 417 W HA 0.546 5.207 4.660 0.001 0.000 0.332 417 W C 0.488 176.966 176.519 -0.068 0.000 1.052 417 W CA -0.642 56.611 57.345 -0.153 0.000 1.223 417 W CB 2.170 31.549 29.460 -0.134 0.000 1.383 417 W HN 0.808 nan 8.180 nan 0.000 0.524 418 G N 0.441 109.354 108.800 0.188 0.000 2.543 418 G HA2 0.461 4.422 3.960 0.001 0.000 0.267 418 G HA3 0.461 4.422 3.960 0.001 0.000 0.267 418 G C 0.417 175.449 174.900 0.221 0.000 1.406 418 G CA 0.269 45.500 45.100 0.218 0.000 1.048 418 G HN 0.511 nan 8.290 nan 0.000 0.548 419 A N -2.003 120.961 122.820 0.239 0.000 1.920 419 A HA 0.346 4.667 4.320 0.001 0.000 0.209 419 A C 1.783 179.274 177.584 -0.155 0.000 1.229 419 A CA 0.864 52.875 52.037 -0.044 0.000 0.671 419 A CB -0.140 18.756 19.000 -0.173 0.000 0.886 419 A HN 0.561 nan 8.150 nan 0.000 0.461 420 Y N -0.449 120.048 120.300 0.328 0.000 2.535 420 Y HA 0.283 4.834 4.550 0.001 0.000 0.264 420 Y C 0.268 176.386 175.900 0.365 0.000 1.087 420 Y CA -0.469 57.860 58.100 0.382 0.000 1.285 420 Y CB 0.680 39.398 38.460 0.429 0.000 1.200 420 Y HN 0.141 nan 8.280 nan 0.000 0.514 421 D N -0.856 119.794 120.400 0.417 0.000 2.533 421 D HA 0.471 5.111 4.640 0.001 0.000 0.247 421 D C -1.103 175.297 176.300 0.168 0.000 1.056 421 D CA -0.450 53.736 54.000 0.312 0.000 1.054 421 D CB 3.188 44.167 40.800 0.298 0.000 1.400 421 D HN -0.356 nan 8.370 nan 0.000 0.533 422 V N 1.347 121.332 119.914 0.119 0.000 2.435 422 V HA 0.139 4.259 4.120 0.001 0.000 0.290 422 V C -0.364 175.743 176.094 0.021 0.000 1.030 422 V CA -0.540 61.770 62.300 0.018 0.000 0.881 422 V CB 1.274 33.090 31.823 -0.012 0.000 0.983 422 V HN 0.575 nan 8.190 nan 0.000 0.445 423 D N 3.039 123.425 120.400 -0.022 0.000 2.686 423 D HA -0.201 4.440 4.640 0.001 0.000 0.235 423 D C 0.524 176.837 176.300 0.021 0.000 1.160 423 D CA 0.700 54.690 54.000 -0.017 0.000 0.645 423 D CB -0.687 40.095 40.800 -0.030 0.000 1.039 423 D HN 0.735 nan 8.370 nan 0.000 0.423 424 N N 0.719 119.448 118.700 0.049 0.000 3.298 424 N HA 0.027 4.768 4.740 0.001 0.000 0.292 424 N C 0.749 176.274 175.510 0.025 0.000 1.271 424 N CA 0.363 53.445 53.050 0.053 0.000 1.184 424 N CB 0.232 38.771 38.487 0.088 0.000 1.452 424 N HN 0.245 nan 8.380 nan 0.000 0.534 425 T N -2.818 111.739 114.554 0.005 0.000 3.044 425 T HA 0.066 4.417 4.350 0.001 0.000 0.260 425 T C 0.792 175.475 174.700 -0.029 0.000 1.019 425 T CA -0.409 61.687 62.100 -0.006 0.000 0.921 425 T CB 0.100 68.966 68.868 -0.003 0.000 1.053 425 T HN 0.130 nan 8.240 nan 0.000 0.533 426 S N 1.395 117.068 115.700 -0.046 0.000 2.573 426 S HA -0.024 4.447 4.470 0.001 0.000 0.297 426 S C 0.814 175.358 174.600 -0.094 0.000 1.280 426 S CA 0.096 58.257 58.200 -0.066 0.000 1.061 426 S CB 0.346 63.489 63.200 -0.094 0.000 0.812 426 S HN 0.501 nan 8.310 nan 0.000 0.500 427 D N 3.072 123.438 120.400 -0.057 0.000 2.354 427 D HA 0.077 4.717 4.640 0.001 0.000 0.209 427 D C 1.653 177.911 176.300 -0.069 0.000 1.015 427 D CA -0.045 53.920 54.000 -0.058 0.000 0.867 427 D CB -0.031 40.790 40.800 0.036 0.000 0.933 427 D HN 0.426 nan 8.370 nan 0.000 0.520 428 L N 1.806 122.999 121.223 -0.050 0.000 1.971 428 L HA -0.078 4.263 4.340 0.001 0.000 0.215 428 L C -0.652 176.077 176.870 -0.234 0.000 1.072 428 L CA 2.028 56.855 54.840 -0.022 0.000 0.758 428 L CB -2.006 40.036 42.059 -0.029 0.000 0.889 428 L HN 0.169 nan 8.230 nan 0.000 0.433 429 P HA -0.180 nan 4.420 nan 0.000 0.218 429 P C 0.921 177.945 177.300 -0.460 0.000 1.146 429 P CA 1.242 63.977 63.100 -0.609 0.000 0.813 429 P CB -0.299 30.709 31.700 -1.153 0.000 0.778 430 N N -0.720 117.688 118.700 -0.486 0.000 2.573 430 N HA -0.110 4.631 4.740 0.001 0.000 0.187 430 N C 1.202 176.331 175.510 -0.635 0.000 1.107 430 N CA 0.816 53.551 53.050 -0.524 0.000 0.918 430 N CB -0.409 37.737 38.487 -0.567 0.000 0.966 430 N HN 0.467 nan 8.380 nan 0.000 0.448 431 H N -0.243 118.592 119.070 -0.392 0.000 2.652 431 H HA 0.187 4.744 4.556 0.001 0.000 0.274 431 H C 0.623 175.528 175.328 -0.705 0.000 1.021 431 H CA -0.316 55.431 56.048 -0.502 0.000 1.187 431 H CB 1.039 30.491 29.762 -0.517 0.000 1.505 431 H HN 0.041 nan 8.280 nan 0.000 0.530 432 I N 1.988 122.232 120.570 -0.543 0.000 2.696 432 I HA 0.052 4.222 4.170 0.001 0.000 0.284 432 I C -1.330 174.747 176.117 -0.067 0.000 1.129 432 I CA -2.337 58.770 61.300 -0.321 0.000 1.410 432 I CB 0.141 38.066 38.000 -0.125 0.000 1.399 432 I HN -0.165 nan 8.210 nan 0.000 0.579 433 P HA -0.181 nan 4.420 nan 0.000 0.218 433 P C 1.711 179.065 177.300 0.089 0.000 1.146 433 P CA 1.346 64.500 63.100 0.090 0.000 0.813 433 P CB 0.047 31.837 31.700 0.150 0.000 0.778 434 F N -0.065 119.861 119.950 -0.039 0.000 2.163 434 F HA -0.062 4.466 4.527 0.001 0.000 0.297 434 F C 0.851 176.564 175.800 -0.144 0.000 1.094 434 F CA 0.854 58.804 58.000 -0.084 0.000 1.290 434 F CB -0.409 38.548 39.000 -0.071 0.000 1.017 434 F HN -0.248 nan 8.300 nan 0.000 0.483 435 C N 3.207 122.539 119.300 0.053 0.000 3.183 435 C HA 0.105 4.566 4.460 0.001 0.000 0.545 435 C C 0.835 175.748 174.990 -0.129 0.000 1.044 435 C CA 0.007 58.995 59.018 -0.051 0.000 1.117 435 C CB -2.392 25.362 27.740 0.024 0.000 1.393 435 C HN 0.506 nan 8.230 nan 0.000 0.611 436 D N -0.581 119.703 120.400 -0.194 0.000 2.402 436 D HA 0.089 4.730 4.640 0.001 0.000 0.216 436 D C -0.180 176.106 176.300 -0.023 0.000 1.128 436 D CA -0.243 53.694 54.000 -0.105 0.000 0.833 436 D CB -0.028 40.714 40.800 -0.097 0.000 0.971 436 D HN 0.407 nan 8.370 nan 0.000 0.503 437 F N 1.010 120.831 119.950 -0.215 0.000 2.562 437 F HA 0.509 5.037 4.527 0.001 0.000 0.319 437 F C 0.686 176.388 175.800 -0.162 0.000 1.154 437 F CA 0.412 58.338 58.000 -0.123 0.000 0.931 437 F CB 1.441 40.395 39.000 -0.076 0.000 1.198 437 F HN 0.204 nan 8.300 nan 0.000 0.444 438 G N 4.523 112.804 108.800 -0.865 0.000 2.692 438 G HA2 -0.186 3.775 3.960 0.001 0.000 0.248 438 G HA3 -0.186 3.775 3.960 0.001 0.000 0.248 438 G C -0.650 173.798 174.900 -0.754 0.000 1.340 438 G CA -0.489 44.047 45.100 -0.940 0.000 0.896 438 G HN 0.734 nan 8.290 nan 0.000 0.570 439 E N -1.030 118.501 120.200 -1.114 0.000 2.373 439 E HA 0.439 4.789 4.350 0.001 0.000 0.263 439 E C 0.882 177.464 176.600 -0.030 0.000 1.073 439 E CA -0.076 56.091 56.400 -0.387 0.000 0.894 439 E CB 1.706 31.369 29.700 -0.063 0.000 1.008 439 E HN 0.485 nan 8.360 nan 0.000 0.420 440 V N 0.601 120.580 119.914 0.108 0.000 3.485 440 V HA 0.005 4.126 4.120 0.001 0.000 0.280 440 V C 0.315 176.390 176.094 -0.033 0.000 1.495 440 V CA 0.738 63.105 62.300 0.111 0.000 1.018 440 V CB 1.068 32.900 31.823 0.016 0.000 0.818 440 V HN 0.780 nan 8.190 nan 0.000 0.436 441 T N -2.882 111.681 114.554 0.015 0.000 2.916 441 T HA 0.585 4.935 4.350 0.001 0.000 0.292 441 T C -1.022 173.743 174.700 0.109 0.000 1.064 441 T CA -0.464 61.603 62.100 -0.055 0.000 1.011 441 T CB 2.570 71.395 68.868 -0.072 0.000 1.152 441 T HN -0.005 nan 8.240 nan 0.000 0.510 442 D N 2.346 122.797 120.400 0.085 0.000 2.551 442 D HA 0.377 5.018 4.640 0.001 0.000 0.294 442 D C -2.299 174.150 176.300 0.250 0.000 1.201 442 D CA -2.046 52.138 54.000 0.307 0.000 0.941 442 D CB 0.644 41.630 40.800 0.310 0.000 0.995 442 D HN 0.303 nan 8.370 nan 0.000 0.502 443 P HA 0.339 nan 4.420 nan 0.000 0.276 443 P C -2.675 174.724 177.300 0.165 0.000 1.261 443 P CA -1.608 61.574 63.100 0.137 0.000 0.800 443 P CB 0.296 32.058 31.700 0.104 0.000 1.066 444 P HA 0.103 nan 4.420 nan 0.000 0.271 444 P C -0.217 177.193 177.300 0.183 0.000 1.218 444 P CA 0.389 63.517 63.100 0.046 0.000 0.780 444 P CB 0.276 31.831 31.700 -0.241 0.000 0.901 445 S N 0.290 116.146 115.700 0.260 0.000 2.568 445 S HA 0.374 4.845 4.470 0.001 0.000 0.293 445 S C 0.732 175.550 174.600 0.364 0.000 1.089 445 S CA -0.628 57.778 58.200 0.343 0.000 0.945 445 S CB 1.674 65.066 63.200 0.320 0.000 1.077 445 S HN 0.203 nan 8.310 nan 0.000 0.485 446 E N 1.454 121.850 120.200 0.326 0.000 2.085 446 E HA -0.162 4.189 4.350 0.001 0.000 0.194 446 E C 1.453 178.025 176.600 -0.046 0.000 0.994 446 E CA 1.944 58.440 56.400 0.159 0.000 0.801 446 E CB -0.278 29.464 29.700 0.070 0.000 0.743 446 E HN 0.853 nan 8.360 nan 0.000 0.453 447 D N 0.418 120.765 120.400 -0.089 0.000 2.117 447 D HA -0.131 4.509 4.640 0.001 0.000 0.198 447 D C 1.907 177.945 176.300 -0.436 0.000 0.982 447 D CA 0.935 54.723 54.000 -0.354 0.000 0.828 447 D CB -0.682 39.960 40.800 -0.264 0.000 0.967 447 D HN 0.165 nan 8.370 nan 0.000 0.464 448 V N 0.865 120.729 119.914 -0.082 0.000 2.307 448 V HA -0.211 3.910 4.120 0.001 0.000 0.245 448 V C 2.666 178.704 176.094 -0.094 0.000 1.045 448 V CA 2.131 64.412 62.300 -0.032 0.000 1.024 448 V CB -1.044 30.843 31.823 0.107 0.000 0.651 448 V HN 0.273 nan 8.190 nan 0.000 0.449 449 T N 0.635 115.206 114.554 0.029 0.000 2.720 449 T HA -0.225 4.125 4.350 0.001 0.000 0.268 449 T C 2.079 176.708 174.700 -0.118 0.000 1.037 449 T CA 1.814 63.974 62.100 0.100 0.000 1.144 449 T CB -0.485 68.570 68.868 0.311 0.000 0.864 449 T HN 0.579 nan 8.240 nan 0.000 0.444 450 A N 1.163 123.860 122.820 -0.205 0.000 1.883 450 A HA -0.190 4.130 4.320 0.001 0.000 0.217 450 A C 1.935 179.375 177.584 -0.239 0.000 1.186 450 A CA 1.930 53.795 52.037 -0.286 0.000 0.624 450 A CB -1.053 17.696 19.000 -0.418 0.000 0.822 450 A HN 0.725 nan 8.150 nan 0.000 0.444 451 H N -1.377 117.565 119.070 -0.214 0.000 2.353 451 H HA -0.085 4.472 4.556 0.001 0.000 0.300 451 H C 2.133 177.242 175.328 -0.364 0.000 1.090 451 H CA 0.961 56.898 56.048 -0.184 0.000 1.327 451 H CB -0.020 29.718 29.762 -0.039 0.000 1.383 451 H HN 0.288 nan 8.280 nan 0.000 0.508 452 V N 0.730 120.391 119.914 -0.422 0.000 2.287 452 V HA -0.248 3.873 4.120 0.001 0.000 0.248 452 V C 2.299 177.793 176.094 -1.000 0.000 1.053 452 V CA 1.353 63.100 62.300 -0.921 0.000 1.027 452 V CB -0.443 30.461 31.823 -1.531 0.000 0.646 452 V HN 0.253 nan 8.190 nan 0.000 0.447 453 L N 0.060 120.912 121.223 -0.618 0.000 2.012 453 L HA -0.215 4.126 4.340 0.001 0.000 0.210 453 L C 2.494 179.170 176.870 -0.322 0.000 1.073 453 L CA 2.316 56.955 54.840 -0.335 0.000 0.748 453 L CB -1.026 40.940 42.059 -0.156 0.000 0.891 453 L HN 0.498 nan 8.230 nan 0.000 0.431 454 E N -1.983 117.974 120.200 -0.405 0.000 2.268 454 E HA -0.224 4.127 4.350 0.001 0.000 0.195 454 E C 2.405 178.459 176.600 -0.911 0.000 0.995 454 E CA 1.030 57.080 56.400 -0.583 0.000 0.836 454 E CB -0.147 29.187 29.700 -0.611 0.000 0.763 454 E HN 0.573 nan 8.360 nan 0.000 0.491 455 C N -0.343 118.516 119.300 -0.736 0.000 2.476 455 C HA -0.041 4.419 4.460 0.001 0.000 0.278 455 C C 2.149 177.000 174.990 -0.233 0.000 1.274 455 C CA 0.353 59.007 59.018 -0.607 0.000 1.713 455 C CB -1.226 26.253 27.740 -0.436 0.000 2.039 455 C HN 0.514 nan 8.230 nan 0.000 0.484 456 F N 1.910 121.786 119.950 -0.123 0.000 2.134 456 F HA 0.102 4.630 4.527 0.001 0.000 0.299 456 F C 2.610 178.529 175.800 0.198 0.000 1.097 456 F CA 1.260 59.351 58.000 0.152 0.000 1.264 456 F CB -1.708 37.386 39.000 0.156 0.000 1.001 456 F HN 0.344 nan 8.300 nan 0.000 0.479 457 G N -0.116 108.777 108.800 0.156 0.000 2.476 457 G HA2 -0.347 3.614 3.960 0.001 0.000 0.218 457 G HA3 -0.347 3.614 3.960 0.001 0.000 0.218 457 G C 1.847 176.739 174.900 -0.013 0.000 1.164 457 G CA 1.669 46.805 45.100 0.059 0.000 0.768 457 G HN 0.462 nan 8.290 nan 0.000 0.560 458 S N 0.190 115.731 115.700 -0.266 0.000 2.419 458 S HA -0.072 4.398 4.470 0.001 0.000 0.235 458 S C 1.979 176.464 174.600 -0.192 0.000 1.019 458 S CA 1.354 59.357 58.200 -0.328 0.000 0.982 458 S CB -0.504 62.328 63.200 -0.613 0.000 0.789 458 S HN 0.217 nan 8.310 nan 0.000 0.490 459 F N 1.861 121.924 119.950 0.189 0.000 2.710 459 F HA 0.393 4.921 4.527 0.001 0.000 0.298 459 F C 2.253 178.213 175.800 0.266 0.000 1.137 459 F CA 0.178 58.348 58.000 0.283 0.000 1.444 459 F CB -0.231 39.030 39.000 0.436 0.000 1.111 459 F HN 0.464 nan 8.300 nan 0.000 0.580 460 G N -1.564 107.451 108.800 0.358 0.000 2.238 460 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 460 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 460 G C 0.128 175.139 174.900 0.184 0.000 0.996 460 G CA -0.562 44.654 45.100 0.192 0.000 0.632 460 G HN 0.152 nan 8.290 nan 0.000 0.503 461 Y N 3.167 123.576 120.300 0.182 0.000 2.683 461 Y HA 0.398 4.949 4.550 0.001 0.000 0.340 461 Y C 1.198 177.233 175.900 0.226 0.000 1.245 461 Y CA 0.528 58.734 58.100 0.175 0.000 1.485 461 Y CB 0.528 39.127 38.460 0.232 0.000 1.328 461 Y HN 0.515 nan 8.280 nan 0.000 0.603 462 D N -0.202 120.390 120.400 0.321 0.000 2.904 462 D HA 0.095 4.736 4.640 0.001 0.000 0.290 462 D C 0.377 176.839 176.300 0.269 0.000 1.180 462 D CA -0.400 53.751 54.000 0.251 0.000 1.065 462 D CB 0.168 41.051 40.800 0.139 0.000 1.386 462 D HN 0.404 nan 8.370 nan 0.000 0.599 463 D N -0.711 119.798 120.400 0.182 0.000 2.309 463 D HA -0.044 4.596 4.640 0.001 0.000 0.212 463 D C 1.761 178.155 176.300 0.157 0.000 0.968 463 D CA 1.533 55.626 54.000 0.155 0.000 0.882 463 D CB -0.207 40.662 40.800 0.115 0.000 0.918 463 D HN 0.432 nan 8.370 nan 0.000 0.503 464 A N -0.159 122.762 122.820 0.168 0.000 1.898 464 A HA -0.071 4.249 4.320 0.001 0.000 0.216 464 A C 0.948 178.674 177.584 0.237 0.000 1.181 464 A CA 0.365 52.495 52.037 0.155 0.000 0.620 464 A CB -0.913 18.152 19.000 0.109 0.000 0.819 464 A HN 0.441 nan 8.150 nan 0.000 0.442 465 W N 2.061 123.404 121.300 0.073 0.000 2.397 465 W HA 0.220 4.881 4.660 0.001 0.000 0.327 465 W C 1.222 177.791 176.519 0.083 0.000 1.421 465 W CA -0.571 56.828 57.345 0.090 0.000 1.288 465 W CB 0.474 30.029 29.460 0.159 0.000 1.312 465 W HN 0.342 nan 8.180 nan 0.000 0.559 466 K N 3.236 123.710 120.400 0.123 0.000 2.160 466 K HA -0.220 4.101 4.320 0.001 0.000 0.206 466 K C 1.510 177.928 176.600 -0.303 0.000 1.047 466 K CA 2.013 58.256 56.287 -0.072 0.000 0.930 466 K CB 0.017 32.511 32.500 -0.009 0.000 0.720 466 K HN 0.460 nan 8.250 nan 0.000 0.450 467 V N 1.269 120.701 119.914 -0.803 0.000 2.295 467 V HA -0.260 3.860 4.120 0.001 0.000 0.246 467 V C 2.235 178.071 176.094 -0.430 0.000 1.049 467 V CA 1.799 63.610 62.300 -0.816 0.000 1.024 467 V CB -0.315 30.568 31.823 -1.566 0.000 0.648 467 V HN 0.331 nan 8.190 nan 0.000 0.447 468 I N -0.208 120.137 120.570 -0.376 0.000 2.252 468 I HA -0.248 3.923 4.170 0.001 0.000 0.245 468 I C 2.757 178.895 176.117 0.035 0.000 1.102 468 I CA 1.746 63.054 61.300 0.012 0.000 1.385 468 I CB -0.416 37.709 38.000 0.207 0.000 1.064 468 I HN 0.263 nan 8.210 nan 0.000 0.414 469 R N 1.534 122.035 120.500 0.002 0.000 2.083 469 R HA -0.187 4.154 4.340 0.001 0.000 0.237 469 R C 2.434 178.737 176.300 0.006 0.000 1.137 469 R CA 1.630 57.743 56.100 0.022 0.000 0.951 469 R CB -0.176 30.135 30.300 0.018 0.000 0.851 469 R HN 0.277 nan 8.270 nan 0.000 0.434 470 R N -0.032 120.444 120.500 -0.041 0.000 2.120 470 R HA -0.091 4.249 4.340 0.001 0.000 0.234 470 R C 2.301 178.607 176.300 0.010 0.000 1.123 470 R CA 1.222 57.296 56.100 -0.043 0.000 0.975 470 R CB -0.335 29.894 30.300 -0.118 0.000 0.866 470 R HN 0.312 nan 8.270 nan 0.000 0.446 471 A N 0.935 123.781 122.820 0.044 0.000 1.854 471 A HA -0.060 4.261 4.320 0.001 0.000 0.214 471 A C 2.388 180.082 177.584 0.182 0.000 1.192 471 A CA 1.043 53.178 52.037 0.162 0.000 0.611 471 A CB -0.476 18.693 19.000 0.281 0.000 0.832 471 A HN 0.088 nan 8.150 nan 0.000 0.442 472 V N 0.481 120.463 119.914 0.114 0.000 2.392 472 V HA -0.232 3.888 4.120 0.001 0.000 0.249 472 V C 2.582 178.710 176.094 0.057 0.000 1.059 472 V CA 2.133 64.482 62.300 0.082 0.000 1.051 472 V CB -0.782 31.089 31.823 0.081 0.000 0.658 472 V HN 0.482 nan 8.190 nan 0.000 0.455 473 E N -0.418 119.814 120.200 0.055 0.000 2.038 473 E HA -0.250 4.100 4.350 0.001 0.000 0.195 473 E C 2.053 178.687 176.600 0.057 0.000 1.000 473 E CA 1.874 58.292 56.400 0.030 0.000 0.803 473 E CB -0.520 29.197 29.700 0.028 0.000 0.750 473 E HN 0.753 nan 8.360 nan 0.000 0.448 474 Y N 1.526 121.823 120.300 -0.004 0.000 2.053 474 Y HA -0.242 4.309 4.550 0.001 0.000 0.277 474 Y C 2.304 178.241 175.900 0.061 0.000 1.159 474 Y CA 1.709 59.816 58.100 0.012 0.000 1.125 474 Y CB -0.713 37.746 38.460 -0.002 0.000 0.969 474 Y HN -0.042 nan 8.280 nan 0.000 0.492 475 L N 0.196 121.322 121.223 -0.161 0.000 1.989 475 L HA -0.298 4.042 4.340 0.001 0.000 0.211 475 L C 2.601 179.536 176.870 0.108 0.000 1.071 475 L CA 2.080 56.818 54.840 -0.169 0.000 0.749 475 L CB -0.649 41.322 42.059 -0.147 0.000 0.890 475 L HN 0.197 nan 8.230 nan 0.000 0.431 476 K N -0.141 120.297 120.400 0.064 0.000 2.074 476 K HA -0.191 4.129 4.320 0.001 0.000 0.209 476 K C 2.146 178.725 176.600 -0.034 0.000 1.048 476 K CA 1.471 57.763 56.287 0.007 0.000 0.926 476 K CB -0.148 32.229 32.500 -0.204 0.000 0.713 476 K HN 0.336 nan 8.250 nan 0.000 0.444 477 R N 0.466 120.925 120.500 -0.069 0.000 2.189 477 R HA -0.064 4.277 4.340 0.001 0.000 0.223 477 R C 1.523 177.765 176.300 -0.096 0.000 1.092 477 R CA 0.732 56.786 56.100 -0.078 0.000 0.989 477 R CB 0.018 30.287 30.300 -0.051 0.000 0.876 477 R HN 0.182 nan 8.270 nan 0.000 0.457 478 E N 0.943 121.071 120.200 -0.121 0.000 2.452 478 E HA -0.029 4.322 4.350 0.001 0.000 0.197 478 E C 0.453 177.016 176.600 -0.063 0.000 1.022 478 E CA 0.039 56.379 56.400 -0.101 0.000 0.890 478 E CB 0.165 29.731 29.700 -0.224 0.000 0.918 478 E HN 0.332 nan 8.360 nan 0.000 0.496 479 Q N 1.687 121.424 119.800 -0.105 0.000 2.369 479 Q HA -0.071 4.270 4.340 0.001 0.000 0.295 479 Q C -0.209 175.520 176.000 -0.452 0.000 1.075 479 Q CA 0.432 55.837 55.803 -0.663 0.000 0.941 479 Q CB 0.616 28.926 28.738 -0.713 0.000 1.260 479 Q HN -0.294 nan 8.270 nan 0.000 0.417 480 K N 4.032 124.113 120.400 -0.531 0.000 2.098 480 K HA 0.174 4.494 4.320 0.001 0.000 0.257 480 K C -1.866 174.550 176.600 -0.307 0.000 0.999 480 K CA -2.010 54.082 56.287 -0.324 0.000 0.924 480 K CB 0.516 32.843 32.500 -0.287 0.000 1.028 480 K HN 0.488 nan 8.250 nan 0.000 0.466 481 P HA -0.212 nan 4.420 nan 0.000 0.216 481 P C 0.484 177.704 177.300 -0.134 0.000 1.154 481 P CA 1.534 64.550 63.100 -0.139 0.000 0.865 481 P CB 0.165 31.809 31.700 -0.092 0.000 0.789 482 D N -2.238 118.069 120.400 -0.156 0.000 2.349 482 D HA 0.044 4.685 4.640 0.001 0.000 0.224 482 D C 1.349 177.547 176.300 -0.171 0.000 1.029 482 D CA 0.878 54.832 54.000 -0.077 0.000 0.879 482 D CB -0.798 40.025 40.800 0.040 0.000 0.906 482 D HN 0.283 nan 8.370 nan 0.000 0.528 483 G N 0.365 108.957 108.800 -0.347 0.000 2.157 483 G HA2 -0.254 3.707 3.960 0.001 0.000 0.239 483 G HA3 -0.254 3.707 3.960 0.001 0.000 0.239 483 G C 0.306 174.761 174.900 -0.742 0.000 0.982 483 G CA 0.355 45.187 45.100 -0.447 0.000 0.650 483 G HN 0.784 nan 8.290 nan 0.000 0.527 484 S N -0.757 114.393 115.700 -0.917 0.000 2.713 484 S HA 0.808 5.279 4.470 0.001 0.000 0.283 484 S C -0.318 173.901 174.600 -0.636 0.000 1.161 484 S CA -0.770 56.846 58.200 -0.974 0.000 0.999 484 S CB 1.876 64.180 63.200 -1.493 0.000 1.039 484 S HN 0.497 nan 8.310 nan 0.000 0.548 485 W N 1.173 122.350 121.300 -0.205 0.000 2.739 485 W HA 0.410 5.070 4.660 0.001 0.000 0.331 485 W C -0.457 176.038 176.519 -0.039 0.000 1.049 485 W CA -1.587 55.710 57.345 -0.079 0.000 1.234 485 W CB 1.569 30.951 29.460 -0.131 0.000 1.404 485 W HN 0.767 nan 8.180 nan 0.000 0.477 486 F N 1.974 121.942 119.950 0.031 0.000 2.586 486 F HA 0.350 4.877 4.527 0.001 0.000 0.344 486 F C 0.778 176.474 175.800 -0.173 0.000 1.188 486 F CA 0.806 58.645 58.000 -0.270 0.000 1.359 486 F CB 0.657 39.584 39.000 -0.122 0.000 1.129 486 F HN 0.274 nan 8.300 nan 0.000 0.609 487 G N 4.719 112.860 108.800 -1.099 0.000 2.788 487 G HA2 0.357 4.318 3.960 0.001 0.000 0.327 487 G HA3 0.357 4.318 3.960 0.001 0.000 0.327 487 G C 0.251 174.686 174.900 -0.776 0.000 1.249 487 G CA -0.620 44.135 45.100 -0.576 0.000 1.063 487 G HN 0.770 nan 8.290 nan 0.000 0.497 488 R N 2.149 122.368 120.500 -0.468 0.000 2.066 488 R HA 0.009 4.349 4.340 0.001 0.000 0.232 488 R C 0.963 176.930 176.300 -0.555 0.000 1.131 488 R CA 1.469 57.315 56.100 -0.423 0.000 0.955 488 R CB -0.176 30.000 30.300 -0.207 0.000 0.851 488 R HN 0.628 nan 8.270 nan 0.000 0.432 489 W N -0.740 120.525 121.300 -0.057 0.000 3.127 489 W HA 0.502 5.162 4.660 0.001 0.000 0.344 489 W C 0.224 176.542 176.519 -0.335 0.000 1.151 489 W CA 0.053 57.316 57.345 -0.138 0.000 1.765 489 W CB 0.725 30.127 29.460 -0.097 0.000 1.085 489 W HN 0.168 nan 8.180 nan 0.000 0.596 490 G N -0.041 108.492 108.800 -0.445 0.000 2.667 490 G HA2 0.472 4.433 3.960 0.001 0.000 0.298 490 G HA3 0.472 4.433 3.960 0.001 0.000 0.298 490 G C -1.531 173.136 174.900 -0.389 0.000 1.377 490 G CA -0.719 43.691 45.100 -1.149 0.000 0.964 490 G HN -0.259 nan 8.290 nan 0.000 0.493 491 V N 2.578 122.465 119.914 -0.045 0.000 2.356 491 V HA 0.292 4.412 4.120 0.001 0.000 0.258 491 V C 0.413 176.629 176.094 0.203 0.000 1.065 491 V CA -0.227 62.185 62.300 0.186 0.000 0.935 491 V CB 0.439 32.426 31.823 0.273 0.000 1.061 491 V HN 0.845 nan 8.190 nan 0.000 0.484 492 N N 3.564 122.306 118.700 0.071 0.000 3.085 492 N HA 0.058 4.798 4.740 0.001 0.000 0.270 492 N C 1.143 176.484 175.510 -0.282 0.000 1.319 492 N CA 0.122 53.022 53.050 -0.250 0.000 1.379 492 N CB -0.032 38.091 38.487 -0.607 0.000 0.903 492 N HN 0.288 nan 8.380 nan 0.000 1.080 493 Y N 1.837 122.102 120.300 -0.059 0.000 2.373 493 Y HA 0.277 4.828 4.550 0.001 0.000 0.293 493 Y C 2.277 178.183 175.900 0.011 0.000 1.129 493 Y CA 0.681 58.735 58.100 -0.077 0.000 1.226 493 Y CB -0.050 38.333 38.460 -0.129 0.000 1.000 493 Y HN 0.135 nan 8.280 nan 0.000 0.549 494 L N -1.559 119.867 121.223 0.338 0.000 2.056 494 L HA -0.242 4.098 4.340 0.001 0.000 0.207 494 L C 2.278 179.240 176.870 0.154 0.000 1.078 494 L CA 1.339 56.379 54.840 0.334 0.000 0.749 494 L CB -0.503 41.773 42.059 0.363 0.000 0.901 494 L HN 0.266 nan 8.230 nan 0.000 0.433 495 Y N 0.476 120.703 120.300 -0.121 0.000 2.163 495 Y HA -0.155 4.395 4.550 0.001 0.000 0.288 495 Y C 2.233 177.831 175.900 -0.504 0.000 1.136 495 Y CA 1.549 59.248 58.100 -0.669 0.000 1.147 495 Y CB -0.708 37.253 38.460 -0.832 0.000 0.987 495 Y HN 0.053 nan 8.280 nan 0.000 0.509 496 G N -1.088 107.496 108.800 -0.360 0.000 2.434 496 G HA2 -0.236 3.724 3.960 0.001 0.000 0.214 496 G HA3 -0.236 3.724 3.960 0.001 0.000 0.214 496 G C 1.666 176.429 174.900 -0.228 0.000 1.202 496 G CA 1.462 46.353 45.100 -0.349 0.000 0.788 496 G HN 0.406 nan 8.290 nan 0.000 0.539 497 T N 1.127 115.662 114.554 -0.032 0.000 2.699 497 T HA -0.112 4.239 4.350 0.001 0.000 0.268 497 T C 2.450 177.129 174.700 -0.033 0.000 1.036 497 T CA 1.668 63.832 62.100 0.107 0.000 1.147 497 T CB -0.671 68.248 68.868 0.084 0.000 0.862 497 T HN 0.374 nan 8.240 nan 0.000 0.446 498 G N 1.022 109.750 108.800 -0.120 0.000 2.421 498 G HA2 -0.052 3.908 3.960 0.001 0.000 0.216 498 G HA3 -0.052 3.908 3.960 0.001 0.000 0.216 498 G C 1.839 176.600 174.900 -0.231 0.000 1.171 498 G CA 0.960 45.971 45.100 -0.147 0.000 0.775 498 G HN 0.596 nan 8.290 nan 0.000 0.543 499 A N 0.091 122.669 122.820 -0.405 0.000 1.858 499 A HA 0.058 4.379 4.320 0.001 0.000 0.216 499 A C 2.637 180.005 177.584 -0.360 0.000 1.190 499 A CA 1.990 53.780 52.037 -0.411 0.000 0.617 499 A CB -0.787 17.799 19.000 -0.689 0.000 0.827 499 A HN 0.262 nan 8.150 nan 0.000 0.443 500 V N -0.290 119.348 119.914 -0.460 0.000 2.237 500 V HA -0.253 3.867 4.120 0.001 0.000 0.245 500 V C 2.602 178.430 176.094 -0.444 0.000 1.046 500 V CA 2.106 64.034 62.300 -0.619 0.000 1.007 500 V CB -0.996 30.055 31.823 -1.287 0.000 0.638 500 V HN 0.369 nan 8.190 nan 0.000 0.445 501 V N -0.194 119.536 119.914 -0.307 0.000 2.282 501 V HA -0.305 3.815 4.120 0.001 0.000 0.249 501 V C 2.698 178.716 176.094 -0.128 0.000 1.057 501 V CA 2.492 64.700 62.300 -0.154 0.000 1.032 501 V CB -0.925 30.876 31.823 -0.036 0.000 0.645 501 V HN 0.623 nan 8.190 nan 0.000 0.447 502 S N -0.429 115.200 115.700 -0.118 0.000 2.370 502 S HA -0.224 4.246 4.470 0.001 0.000 0.226 502 S C 2.085 176.621 174.600 -0.106 0.000 1.033 502 S CA 1.792 59.944 58.200 -0.079 0.000 1.011 502 S CB -0.345 62.829 63.200 -0.043 0.000 0.852 502 S HN 0.641 nan 8.310 nan 0.000 0.457 503 A N 1.681 124.407 122.820 -0.156 0.000 1.841 503 A HA 0.059 4.380 4.320 0.001 0.000 0.214 503 A C 2.222 179.727 177.584 -0.132 0.000 1.195 503 A CA 1.529 53.462 52.037 -0.174 0.000 0.611 503 A CB -1.079 17.792 19.000 -0.215 0.000 0.835 503 A HN 0.559 nan 8.150 nan 0.000 0.443 504 L N -0.539 120.604 121.223 -0.134 0.000 2.089 504 L HA -0.256 4.085 4.340 0.001 0.000 0.213 504 L C 2.694 179.541 176.870 -0.039 0.000 1.079 504 L CA 1.791 56.590 54.840 -0.068 0.000 0.758 504 L CB -0.536 41.480 42.059 -0.071 0.000 0.891 504 L HN 0.339 nan 8.230 nan 0.000 0.433 505 K N 0.580 120.946 120.400 -0.057 0.000 2.097 505 K HA -0.141 4.179 4.320 0.001 0.000 0.206 505 K C 2.039 178.621 176.600 -0.029 0.000 1.049 505 K CA 1.656 57.922 56.287 -0.035 0.000 0.933 505 K CB -0.174 32.305 32.500 -0.036 0.000 0.717 505 K HN 0.302 nan 8.250 nan 0.000 0.442 506 A N 0.626 123.412 122.820 -0.056 0.000 1.968 506 A HA -0.078 4.243 4.320 0.001 0.000 0.217 506 A C 1.829 179.402 177.584 -0.019 0.000 1.169 506 A CA 1.451 53.447 52.037 -0.067 0.000 0.638 506 A CB -0.328 18.575 19.000 -0.160 0.000 0.812 506 A HN 0.171 nan 8.150 nan 0.000 0.446 507 V N -3.596 116.323 119.914 0.009 0.000 3.499 507 V HA 0.540 4.661 4.120 0.001 0.000 0.308 507 V C 1.262 177.406 176.094 0.083 0.000 1.319 507 V CA 0.514 62.862 62.300 0.080 0.000 1.194 507 V CB -1.020 30.872 31.823 0.115 0.000 1.072 507 V HN 1.307 nan 8.190 nan 0.000 0.426 508 G N 0.299 109.130 108.800 0.052 0.000 2.205 508 G HA2 -0.240 3.721 3.960 0.001 0.000 0.261 508 G HA3 -0.240 3.721 3.960 0.001 0.000 0.261 508 G C 0.148 175.080 174.900 0.053 0.000 0.980 508 G CA 0.193 45.324 45.100 0.052 0.000 0.632 508 G HN 0.474 nan 8.290 nan 0.000 0.533 509 I N 1.251 121.856 120.570 0.059 0.000 3.205 509 I HA 0.109 4.280 4.170 0.001 0.000 0.287 509 I C 0.678 176.823 176.117 0.047 0.000 1.266 509 I CA 0.113 61.457 61.300 0.073 0.000 1.378 509 I CB 0.180 38.237 38.000 0.094 0.000 1.347 509 I HN 0.210 nan 8.210 nan 0.000 0.603 510 D N 1.843 122.276 120.400 0.055 0.000 2.347 510 D HA 0.148 4.788 4.640 0.001 0.000 0.235 510 D C 1.222 177.518 176.300 -0.007 0.000 1.149 510 D CA -0.225 53.793 54.000 0.031 0.000 0.850 510 D CB 0.862 41.690 40.800 0.046 0.000 1.061 510 D HN 0.608 nan 8.370 nan 0.000 0.487 511 T N 1.389 115.932 114.554 -0.019 0.000 2.946 511 T HA -0.225 4.125 4.350 0.001 0.000 0.271 511 T C 1.755 176.429 174.700 -0.044 0.000 1.104 511 T CA 0.697 62.770 62.100 -0.045 0.000 1.114 511 T CB -0.065 68.790 68.868 -0.022 0.000 0.867 511 T HN 0.375 nan 8.240 nan 0.000 0.513 512 R N 0.969 121.460 120.500 -0.015 0.000 2.236 512 R HA 0.031 4.372 4.340 0.001 0.000 0.208 512 R C 0.392 176.692 176.300 0.001 0.000 1.036 512 R CA 0.151 56.250 56.100 -0.002 0.000 1.001 512 R CB -0.003 30.306 30.300 0.015 0.000 0.896 512 R HN 0.452 nan 8.270 nan 0.000 0.464 513 E N 0.644 120.841 120.200 -0.005 0.000 2.485 513 E HA -0.120 4.231 4.350 0.001 0.000 0.266 513 E C -1.863 174.752 176.600 0.025 0.000 1.090 513 E CA -0.762 55.664 56.400 0.043 0.000 0.987 513 E CB 0.264 30.013 29.700 0.082 0.000 0.974 513 E HN 0.127 nan 8.360 nan 0.000 0.455 514 P HA -0.159 nan 4.420 nan 0.000 0.213 514 P C 1.450 178.811 177.300 0.102 0.000 1.170 514 P CA 1.525 64.686 63.100 0.102 0.000 0.893 514 P CB -0.222 31.552 31.700 0.124 0.000 0.784 515 Y N -0.897 119.423 120.300 0.033 0.000 2.256 515 Y HA -0.152 4.399 4.550 0.001 0.000 0.288 515 Y C 1.849 177.790 175.900 0.069 0.000 1.155 515 Y CA 0.817 58.931 58.100 0.023 0.000 1.203 515 Y CB -1.878 36.604 38.460 0.036 0.000 0.980 515 Y HN -0.125 nan 8.280 nan 0.000 0.530 516 I N 0.649 120.861 120.570 -0.596 0.000 2.202 516 I HA -0.212 3.959 4.170 0.001 0.000 0.242 516 I C 2.365 178.419 176.117 -0.105 0.000 1.091 516 I CA 1.259 62.330 61.300 -0.381 0.000 1.368 516 I CB -1.295 36.465 38.000 -0.401 0.000 1.058 516 I HN 0.341 nan 8.210 nan 0.000 0.410 517 Q N 0.826 120.583 119.800 -0.073 0.000 2.084 517 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 517 Q C 2.194 178.213 176.000 0.032 0.000 0.978 517 Q CA 1.276 57.078 55.803 -0.001 0.000 0.844 517 Q CB -0.433 28.311 28.738 0.010 0.000 0.898 517 Q HN 0.485 nan 8.270 nan 0.000 0.426 518 K N 0.172 120.586 120.400 0.023 0.000 2.211 518 K HA -0.108 4.212 4.320 0.001 0.000 0.204 518 K C 1.806 178.441 176.600 0.058 0.000 1.047 518 K CA 1.045 57.355 56.287 0.038 0.000 0.935 518 K CB 0.072 32.581 32.500 0.015 0.000 0.728 518 K HN 0.158 nan 8.250 nan 0.000 0.452 519 A N 0.734 123.577 122.820 0.039 0.000 1.871 519 A HA 0.018 4.338 4.320 0.001 0.000 0.211 519 A C 1.961 179.671 177.584 0.210 0.000 1.207 519 A CA 0.497 52.584 52.037 0.083 0.000 0.620 519 A CB -0.482 18.574 19.000 0.093 0.000 0.860 519 A HN 0.247 nan 8.150 nan 0.000 0.450 520 L N -0.031 121.278 121.223 0.143 0.000 2.129 520 L HA -0.259 4.082 4.340 0.001 0.000 0.212 520 L C 2.007 178.981 176.870 0.173 0.000 1.087 520 L CA 1.507 56.431 54.840 0.140 0.000 0.757 520 L CB -0.594 41.515 42.059 0.082 0.000 0.896 520 L HN 0.348 nan 8.230 nan 0.000 0.434 521 D N -1.049 119.452 120.400 0.168 0.000 2.084 521 D HA -0.227 4.414 4.640 0.001 0.000 0.196 521 D C 1.656 178.086 176.300 0.217 0.000 0.985 521 D CA 1.037 55.131 54.000 0.158 0.000 0.826 521 D CB -0.305 40.570 40.800 0.124 0.000 0.978 521 D HN 0.387 nan 8.370 nan 0.000 0.456 522 W N 1.517 122.869 121.300 0.087 0.000 2.321 522 W HA -0.262 4.398 4.660 0.001 0.000 0.306 522 W C 2.042 178.714 176.519 0.256 0.000 1.217 522 W CA 1.503 58.936 57.345 0.147 0.000 1.257 522 W CB -0.287 29.211 29.460 0.064 0.000 1.145 522 W HN -0.214 nan 8.180 nan 0.000 0.509 523 V N 0.888 121.058 119.914 0.426 0.000 2.237 523 V HA -0.334 3.787 4.120 0.001 0.000 0.245 523 V C 2.219 178.512 176.094 0.331 0.000 1.046 523 V CA 2.467 64.925 62.300 0.263 0.000 1.007 523 V CB -1.115 30.810 31.823 0.170 0.000 0.638 523 V HN 0.187 nan 8.190 nan 0.000 0.445 524 E N -0.280 120.092 120.200 0.286 0.000 2.097 524 E HA -0.327 4.023 4.350 0.001 0.000 0.196 524 E C 2.261 178.925 176.600 0.107 0.000 1.000 524 E CA 1.619 58.181 56.400 0.270 0.000 0.804 524 E CB -0.233 29.564 29.700 0.161 0.000 0.740 524 E HN 0.654 nan 8.360 nan 0.000 0.454 525 Q N -0.517 119.286 119.800 0.005 0.000 2.368 525 Q HA -0.167 4.174 4.340 0.001 0.000 0.210 525 Q C 0.985 176.739 176.000 -0.409 0.000 0.982 525 Q CA 1.035 56.723 55.803 -0.193 0.000 0.884 525 Q CB -0.016 28.578 28.738 -0.240 0.000 0.933 525 Q HN 0.430 nan 8.270 nan 0.000 0.460 526 H N -1.211 117.716 119.070 -0.238 0.000 2.652 526 H HA 0.147 4.704 4.556 0.001 0.000 0.274 526 H C -0.142 175.021 175.328 -0.275 0.000 1.021 526 H CA -0.271 55.621 56.048 -0.260 0.000 1.187 526 H CB 0.418 29.947 29.762 -0.390 0.000 1.505 526 H HN 0.117 nan 8.280 nan 0.000 0.530 527 Q N 1.666 121.235 119.800 -0.384 0.000 2.283 527 Q HA -0.043 4.298 4.340 0.001 0.000 0.301 527 Q C -0.246 175.405 176.000 -0.583 0.000 1.063 527 Q CA -0.127 55.058 55.803 -1.030 0.000 0.952 527 Q CB 0.498 28.617 28.738 -1.032 0.000 1.166 527 Q HN 0.362 nan 8.270 nan 0.000 0.381 528 N N 4.118 122.487 118.700 -0.550 0.000 2.424 528 N HA 0.083 4.824 4.740 0.001 0.000 0.257 528 N C -1.895 173.461 175.510 -0.257 0.000 1.250 528 N CA -1.333 51.534 53.050 -0.305 0.000 0.946 528 N CB 0.495 38.851 38.487 -0.219 0.000 1.175 528 N HN 0.484 nan 8.380 nan 0.000 0.477 529 P HA -0.136 nan 4.420 nan 0.000 0.216 529 P C 0.276 177.527 177.300 -0.083 0.000 1.150 529 P CA 1.303 64.335 63.100 -0.113 0.000 0.837 529 P CB 0.071 31.726 31.700 -0.075 0.000 0.786 530 D N -2.269 118.103 120.400 -0.048 0.000 2.378 530 D HA 0.053 4.693 4.640 0.001 0.000 0.227 530 D C 1.474 177.827 176.300 0.089 0.000 1.012 530 D CA 0.957 54.988 54.000 0.051 0.000 0.905 530 D CB -0.848 40.048 40.800 0.161 0.000 0.895 530 D HN 0.247 nan 8.370 nan 0.000 0.532 531 G N -1.272 107.469 108.800 -0.097 0.000 2.234 531 G HA2 -0.159 3.802 3.960 0.001 0.000 0.235 531 G HA3 -0.159 3.802 3.960 0.001 0.000 0.235 531 G C 0.618 175.315 174.900 -0.339 0.000 0.997 531 G CA -0.041 44.969 45.100 -0.151 0.000 0.623 531 G HN 0.832 nan 8.290 nan 0.000 0.514 532 G N -1.559 106.968 108.800 -0.455 0.000 2.613 532 G HA2 0.561 4.522 3.960 0.001 0.000 0.303 532 G HA3 0.561 4.522 3.960 0.001 0.000 0.303 532 G C -0.403 174.165 174.900 -0.553 0.000 1.312 532 G CA -0.673 43.979 45.100 -0.747 0.000 1.036 532 G HN 0.259 nan 8.290 nan 0.000 0.513 533 W N -1.233 119.839 121.300 -0.379 0.000 2.781 533 W HA 0.626 5.287 4.660 0.001 0.000 0.345 533 W C 0.031 176.434 176.519 -0.192 0.000 1.085 533 W CA -0.652 56.569 57.345 -0.206 0.000 1.198 533 W CB 2.495 31.883 29.460 -0.120 0.000 1.423 533 W HN 0.846 nan 8.180 nan 0.000 0.532 534 G N 1.070 109.942 108.800 0.120 0.000 2.720 534 G HA2 0.490 4.451 3.960 0.001 0.000 0.295 534 G HA3 0.490 4.451 3.960 0.001 0.000 0.295 534 G C -2.128 172.823 174.900 0.084 0.000 1.437 534 G CA -0.596 44.528 45.100 0.040 0.000 0.886 534 G HN 0.341 nan 8.290 nan 0.000 0.509 535 E N 0.752 120.994 120.200 0.070 0.000 2.317 535 E HA 0.325 4.676 4.350 0.001 0.000 0.270 535 E C -1.498 175.116 176.600 0.023 0.000 0.899 535 E CA -0.617 55.843 56.400 0.101 0.000 0.814 535 E CB 1.941 31.745 29.700 0.173 0.000 1.296 535 E HN 0.429 nan 8.360 nan 0.000 0.404 536 D N 2.249 122.640 120.400 -0.015 0.000 2.362 536 D HA 0.067 4.707 4.640 0.001 0.000 0.242 536 D C 0.579 176.749 176.300 -0.217 0.000 1.132 536 D CA -0.271 53.643 54.000 -0.144 0.000 0.907 536 D CB 0.911 41.575 40.800 -0.227 0.000 1.195 536 D HN 0.518 nan 8.370 nan 0.000 0.429 537 C N 1.982 121.022 119.300 -0.434 0.000 2.430 537 C HA -0.019 4.442 4.460 0.001 0.000 0.288 537 C C 2.244 176.965 174.990 -0.449 0.000 1.448 537 C CA 0.159 58.760 59.018 -0.694 0.000 1.784 537 C CB -1.187 25.396 27.740 -1.928 0.000 1.776 537 C HN 0.612 nan 8.230 nan 0.000 0.547 538 R N 1.455 121.738 120.500 -0.362 0.000 2.189 538 R HA -0.096 4.245 4.340 0.001 0.000 0.223 538 R C 2.203 178.500 176.300 -0.005 0.000 1.092 538 R CA 1.535 57.512 56.100 -0.205 0.000 0.989 538 R CB -0.356 29.582 30.300 -0.604 0.000 0.876 538 R HN 0.709 nan 8.270 nan 0.000 0.457 539 S N -0.377 115.322 115.700 -0.001 0.000 2.584 539 S HA -0.142 4.329 4.470 0.001 0.000 0.240 539 S C 1.258 175.893 174.600 0.059 0.000 0.975 539 S CA 0.783 59.052 58.200 0.115 0.000 0.949 539 S CB -0.259 63.008 63.200 0.112 0.000 0.761 539 S HN 0.335 nan 8.310 nan 0.000 0.536 540 Y N 1.353 121.772 120.300 0.198 0.000 2.389 540 Y HA 0.260 4.810 4.550 0.001 0.000 0.292 540 Y C 2.655 178.687 175.900 0.221 0.000 1.117 540 Y CA 0.632 58.881 58.100 0.249 0.000 1.195 540 Y CB -0.023 38.597 38.460 0.268 0.000 1.076 540 Y HN 0.217 nan 8.280 nan 0.000 0.548 541 E N 0.136 120.529 120.200 0.322 0.000 2.033 541 E HA -0.081 4.269 4.350 0.001 0.000 0.189 541 E C -0.032 176.695 176.600 0.213 0.000 0.979 541 E CA 1.101 57.650 56.400 0.248 0.000 0.802 541 E CB -0.213 29.623 29.700 0.226 0.000 0.763 541 E HN 0.363 nan 8.360 nan 0.000 0.449 542 D N 0.237 120.775 120.400 0.230 0.000 2.593 542 D HA 0.100 4.741 4.640 0.001 0.000 0.251 542 D C -1.968 174.474 176.300 0.237 0.000 1.140 542 D CA -2.119 52.015 54.000 0.223 0.000 0.855 542 D CB 2.027 42.975 40.800 0.246 0.000 1.267 542 D HN -0.261 nan 8.370 nan 0.000 0.532 543 P HA -0.214 nan 4.420 nan 0.000 0.220 543 P C 1.122 178.476 177.300 0.089 0.000 1.144 543 P CA 0.997 64.169 63.100 0.121 0.000 0.800 543 P CB 0.130 31.873 31.700 0.072 0.000 0.772 544 A N -1.424 121.436 122.820 0.067 0.000 2.125 544 A HA -0.158 4.163 4.320 0.001 0.000 0.219 544 A C 1.602 179.118 177.584 -0.112 0.000 1.156 544 A CA 0.973 52.982 52.037 -0.046 0.000 0.671 544 A CB -1.470 17.460 19.000 -0.117 0.000 0.794 544 A HN 0.173 nan 8.150 nan 0.000 0.459 545 Y N -0.587 119.752 120.300 0.066 0.000 2.457 545 Y HA 0.450 5.001 4.550 0.001 0.000 0.263 545 Y C 1.396 177.348 175.900 0.087 0.000 1.164 545 Y CA -0.334 57.806 58.100 0.068 0.000 1.274 545 Y CB -0.109 38.389 38.460 0.063 0.000 1.097 545 Y HN 0.285 nan 8.280 nan 0.000 0.523 546 A N 0.170 123.110 122.820 0.200 0.000 2.484 546 A HA 0.427 4.748 4.320 0.001 0.000 0.268 546 A C 1.583 179.248 177.584 0.135 0.000 1.114 546 A CA 0.759 52.892 52.037 0.160 0.000 0.780 546 A CB -0.871 18.035 19.000 -0.157 0.000 1.061 546 A HN 0.861 nan 8.150 nan 0.000 0.505 547 G N 2.135 111.036 108.800 0.169 0.000 2.184 547 G HA2 -0.242 3.719 3.960 0.001 0.000 0.264 547 G HA3 -0.242 3.719 3.960 0.001 0.000 0.264 547 G C 0.195 175.185 174.900 0.151 0.000 0.975 547 G CA 0.889 45.965 45.100 -0.040 0.000 0.642 547 G HN 0.818 nan 8.290 nan 0.000 0.536 548 K N 0.055 120.569 120.400 0.191 0.000 2.221 548 K HA 0.677 4.998 4.320 0.001 0.000 0.258 548 K C 0.324 177.032 176.600 0.180 0.000 0.944 548 K CA -0.022 56.363 56.287 0.163 0.000 0.823 548 K CB 2.080 34.644 32.500 0.106 0.000 1.113 548 K HN 1.043 nan 8.250 nan 0.000 0.431 549 G N 0.414 109.268 108.800 0.089 0.000 2.350 549 G HA2 0.327 4.288 3.960 0.001 0.000 0.304 549 G HA3 0.327 4.288 3.960 0.001 0.000 0.304 549 G C -1.529 173.320 174.900 -0.084 0.000 1.421 549 G CA -0.698 44.408 45.100 0.011 0.000 0.934 549 G HN 0.637 nan 8.290 nan 0.000 0.632 550 A N 0.593 123.285 122.820 -0.214 0.000 2.540 550 A HA 0.564 4.884 4.320 0.001 0.000 0.239 550 A C 1.140 178.634 177.584 -0.150 0.000 1.061 550 A CA 0.995 52.909 52.037 -0.205 0.000 0.758 550 A CB -0.077 18.689 19.000 -0.390 0.000 0.991 550 A HN 1.710 nan 8.150 nan 0.000 0.502 551 S N 1.016 116.684 115.700 -0.054 0.000 2.549 551 S HA 0.405 4.875 4.470 0.001 0.000 0.286 551 S C 0.779 175.399 174.600 0.034 0.000 1.314 551 S CA 0.544 58.691 58.200 -0.089 0.000 1.062 551 S CB 0.231 63.270 63.200 -0.270 0.000 0.865 551 S HN 1.081 nan 8.310 nan 0.000 0.498 552 T N 0.843 115.384 114.554 -0.023 0.000 2.907 552 T HA 0.501 4.851 4.350 0.001 0.000 0.292 552 T C -2.595 172.084 174.700 -0.036 0.000 1.043 552 T CA -2.179 59.961 62.100 0.066 0.000 1.003 552 T CB 1.728 70.629 68.868 0.055 0.000 1.084 552 T HN 0.113 nan 8.240 nan 0.000 0.483 553 P HA -0.139 nan 4.420 nan 0.000 0.216 553 P C 1.965 179.054 177.300 -0.351 0.000 1.153 553 P CA 1.567 64.573 63.100 -0.158 0.000 0.848 553 P CB -0.007 31.552 31.700 -0.235 0.000 0.787 554 S N -0.278 115.188 115.700 -0.390 0.000 2.343 554 S HA -0.244 4.227 4.470 0.001 0.000 0.219 554 S C 2.060 175.915 174.600 -1.242 0.000 1.033 554 S CA 1.156 58.883 58.200 -0.788 0.000 1.014 554 S CB -1.574 61.187 63.200 -0.731 0.000 0.915 554 S HN 0.167 nan 8.310 nan 0.000 0.435 555 Q N 0.604 119.902 119.800 -0.836 0.000 2.226 555 Q HA -0.036 4.304 4.340 0.001 0.000 0.204 555 Q C 2.232 178.102 176.000 -0.217 0.000 0.975 555 Q CA 1.657 57.200 55.803 -0.433 0.000 0.866 555 Q CB -0.529 28.175 28.738 -0.056 0.000 0.915 555 Q HN 0.638 nan 8.270 nan 0.000 0.440 556 T N 0.573 114.991 114.554 -0.227 0.000 2.770 556 T HA -0.102 4.249 4.350 0.001 0.000 0.263 556 T C 1.932 176.520 174.700 -0.186 0.000 1.039 556 T CA 1.107 63.169 62.100 -0.064 0.000 1.142 556 T CB -0.252 68.540 68.868 -0.128 0.000 0.868 556 T HN 0.400 nan 8.240 nan 0.000 0.435 557 A N 0.959 123.600 122.820 -0.298 0.000 1.940 557 A HA -0.118 4.203 4.320 0.001 0.000 0.219 557 A C 2.102 179.601 177.584 -0.141 0.000 1.176 557 A CA 1.280 53.169 52.037 -0.247 0.000 0.631 557 A CB -0.858 17.973 19.000 -0.282 0.000 0.814 557 A HN 0.583 nan 8.150 nan 0.000 0.446 558 W N -0.587 120.563 121.300 -0.250 0.000 2.409 558 W HA 0.070 4.730 4.660 0.001 0.000 0.299 558 W C 2.777 179.112 176.519 -0.306 0.000 1.203 558 W CA 0.595 57.779 57.345 -0.268 0.000 1.298 558 W CB -1.250 28.060 29.460 -0.251 0.000 1.127 558 W HN 0.434 nan 8.180 nan 0.000 0.528 559 A N -0.134 122.538 122.820 -0.247 0.000 1.930 559 A HA -0.113 4.207 4.320 0.001 0.000 0.217 559 A C 2.047 179.258 177.584 -0.621 0.000 1.175 559 A CA 1.217 52.855 52.037 -0.665 0.000 0.627 559 A CB -0.821 17.159 19.000 -1.700 0.000 0.815 559 A HN 0.121 nan 8.150 nan 0.000 0.443 560 L N -0.535 120.396 121.223 -0.487 0.000 2.017 560 L HA -0.134 4.207 4.340 0.001 0.000 0.208 560 L C 2.717 179.517 176.870 -0.117 0.000 1.073 560 L CA 1.969 56.652 54.840 -0.262 0.000 0.745 560 L CB -0.703 41.267 42.059 -0.149 0.000 0.894 560 L HN 0.413 nan 8.230 nan 0.000 0.432 561 M N -1.663 117.897 119.600 -0.067 0.000 2.149 561 M HA -0.236 4.244 4.480 0.001 0.000 0.261 561 M C 2.288 178.573 176.300 -0.025 0.000 1.064 561 M CA 1.791 57.087 55.300 -0.007 0.000 1.102 561 M CB -0.627 31.999 32.600 0.043 0.000 1.369 561 M HN 0.333 nan 8.290 nan 0.000 0.408 562 A N 0.820 123.605 122.820 -0.059 0.000 1.877 562 A HA -0.137 4.183 4.320 0.001 0.000 0.216 562 A C 2.128 179.699 177.584 -0.021 0.000 1.186 562 A CA 1.478 53.490 52.037 -0.041 0.000 0.620 562 A CB -0.932 18.044 19.000 -0.040 0.000 0.822 562 A HN 0.444 nan 8.150 nan 0.000 0.443 563 L N -0.522 120.676 121.223 -0.040 0.000 1.994 563 L HA -0.186 4.155 4.340 0.001 0.000 0.208 563 L C 2.522 179.412 176.870 0.034 0.000 1.071 563 L CA 1.518 56.364 54.840 0.009 0.000 0.745 563 L CB -0.634 41.436 42.059 0.019 0.000 0.892 563 L HN 0.370 nan 8.230 nan 0.000 0.431 564 I N 0.047 120.641 120.570 0.040 0.000 2.315 564 I HA -0.303 3.868 4.170 0.001 0.000 0.251 564 I C 2.669 178.806 176.117 0.032 0.000 1.125 564 I CA 1.205 62.541 61.300 0.061 0.000 1.392 564 I CB -0.491 37.558 38.000 0.081 0.000 1.065 564 I HN 0.247 nan 8.210 nan 0.000 0.424 565 A N 0.590 123.420 122.820 0.016 0.000 1.970 565 A HA 0.062 4.383 4.320 0.001 0.000 0.216 565 A C 2.282 179.866 177.584 0.000 0.000 1.170 565 A CA 1.281 53.319 52.037 0.003 0.000 0.645 565 A CB -0.867 18.125 19.000 -0.013 0.000 0.816 565 A HN 0.437 nan 8.150 nan 0.000 0.447 566 G N -1.958 106.846 108.800 0.007 0.000 2.920 566 G HA2 0.363 4.323 3.960 0.001 0.000 0.208 566 G HA3 0.363 4.323 3.960 0.001 0.000 0.208 566 G C 1.152 176.062 174.900 0.017 0.000 1.159 566 G CA 0.581 45.685 45.100 0.007 0.000 0.784 566 G HN 1.556 nan 8.290 nan 0.000 0.535 567 G N 0.516 109.330 108.800 0.023 0.000 2.268 567 G HA2 -0.290 3.671 3.960 0.001 0.000 0.240 567 G HA3 -0.290 3.671 3.960 0.001 0.000 0.240 567 G C 1.120 176.045 174.900 0.042 0.000 1.010 567 G CA 0.195 45.311 45.100 0.027 0.000 0.618 567 G HN 0.534 nan 8.290 nan 0.000 0.516 568 R N 0.960 121.493 120.500 0.053 0.000 2.535 568 R HA 0.475 4.815 4.340 0.001 0.000 0.233 568 R C 2.380 178.742 176.300 0.104 0.000 1.202 568 R CA 0.560 56.705 56.100 0.074 0.000 1.205 568 R CB -0.161 30.187 30.300 0.080 0.000 1.153 568 R HN 0.479 nan 8.270 nan 0.000 0.512 569 A N 1.106 123.986 122.820 0.100 0.000 2.070 569 A HA -0.175 4.146 4.320 0.001 0.000 0.220 569 A C 1.698 179.403 177.584 0.201 0.000 1.159 569 A CA 1.089 53.221 52.037 0.159 0.000 0.656 569 A CB -0.030 19.023 19.000 0.087 0.000 0.800 569 A HN 0.350 nan 8.150 nan 0.000 0.453 570 E N -0.268 120.004 120.200 0.121 0.000 2.437 570 E HA 0.194 4.544 4.350 0.001 0.000 0.195 570 E C 0.507 177.179 176.600 0.120 0.000 1.029 570 E CA -0.117 56.352 56.400 0.115 0.000 0.948 570 E CB 0.058 29.794 29.700 0.060 0.000 1.082 570 E HN 0.481 nan 8.360 nan 0.000 0.456 571 S N -0.356 115.425 115.700 0.135 0.000 2.652 571 S HA 0.054 4.525 4.470 0.001 0.000 0.267 571 S C 1.122 175.795 174.600 0.121 0.000 1.201 571 S CA -0.386 57.884 58.200 0.117 0.000 0.996 571 S CB 1.218 64.490 63.200 0.120 0.000 1.054 571 S HN 0.263 nan 8.310 nan 0.000 0.561 572 E N 1.109 121.366 120.200 0.096 0.000 2.011 572 E HA 0.127 4.478 4.350 0.001 0.000 0.191 572 E C 2.141 178.793 176.600 0.087 0.000 0.980 572 E CA 1.826 58.273 56.400 0.077 0.000 0.814 572 E CB -1.095 28.633 29.700 0.047 0.000 0.775 572 E HN 0.664 nan 8.360 nan 0.000 0.454 573 A N 1.226 124.103 122.820 0.096 0.000 1.971 573 A HA -0.245 4.076 4.320 0.001 0.000 0.222 573 A C 2.417 180.150 177.584 0.248 0.000 1.182 573 A CA 2.859 54.974 52.037 0.131 0.000 0.649 573 A CB -1.279 17.856 19.000 0.224 0.000 0.818 573 A HN 0.411 nan 8.150 nan 0.000 0.458 574 A N -0.544 122.414 122.820 0.229 0.000 1.835 574 A HA -0.189 4.132 4.320 0.001 0.000 0.215 574 A C 2.274 179.926 177.584 0.113 0.000 1.199 574 A CA 1.932 54.094 52.037 0.209 0.000 0.615 574 A CB -0.614 18.514 19.000 0.213 0.000 0.838 574 A HN 0.560 nan 8.150 nan 0.000 0.444 575 R N -0.961 119.616 120.500 0.128 0.000 2.096 575 R HA -0.131 4.209 4.340 0.001 0.000 0.235 575 R C 2.407 178.739 176.300 0.054 0.000 1.127 575 R CA 1.203 57.358 56.100 0.091 0.000 0.968 575 R CB -0.218 30.182 30.300 0.167 0.000 0.861 575 R HN 0.391 nan 8.270 nan 0.000 0.440 576 R N -0.348 120.188 120.500 0.061 0.000 2.083 576 R HA -0.114 4.226 4.340 0.001 0.000 0.237 576 R C 2.256 178.584 176.300 0.047 0.000 1.137 576 R CA 1.692 57.810 56.100 0.030 0.000 0.951 576 R CB -0.950 29.334 30.300 -0.027 0.000 0.851 576 R HN 0.440 nan 8.270 nan 0.000 0.434 577 G N 0.368 109.219 108.800 0.085 0.000 2.418 577 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 577 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 577 G C 1.549 176.535 174.900 0.144 0.000 1.158 577 G CA 0.855 46.069 45.100 0.191 0.000 0.771 577 G HN 0.188 nan 8.290 nan 0.000 0.545 578 V N 0.574 120.484 119.914 -0.008 0.000 2.469 578 V HA -0.221 3.900 4.120 0.001 0.000 0.251 578 V C 2.751 178.883 176.094 0.064 0.000 1.064 578 V CA 2.132 64.374 62.300 -0.097 0.000 1.066 578 V CB -0.432 31.136 31.823 -0.425 0.000 0.667 578 V HN 0.364 nan 8.190 nan 0.000 0.461 579 Q N -0.148 119.704 119.800 0.087 0.000 2.050 579 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 579 Q C 2.093 178.175 176.000 0.137 0.000 0.980 579 Q CA 2.093 57.960 55.803 0.106 0.000 0.840 579 Q CB -0.750 28.037 28.738 0.081 0.000 0.898 579 Q HN 0.704 nan 8.270 nan 0.000 0.424 580 Y N 0.253 120.583 120.300 0.050 0.000 2.114 580 Y HA -0.251 4.300 4.550 0.001 0.000 0.282 580 Y C 1.720 177.711 175.900 0.152 0.000 1.165 580 Y CA 1.983 60.125 58.100 0.071 0.000 1.148 580 Y CB -0.308 38.176 38.460 0.040 0.000 0.972 580 Y HN 0.169 nan 8.280 nan 0.000 0.504 581 L N -1.372 120.098 121.223 0.412 0.000 2.056 581 L HA -0.200 4.140 4.340 0.001 0.000 0.207 581 L C 2.350 179.519 176.870 0.498 0.000 1.078 581 L CA 1.076 56.190 54.840 0.458 0.000 0.749 581 L CB -0.739 41.459 42.059 0.232 0.000 0.901 581 L HN 0.123 nan 8.230 nan 0.000 0.433 582 V N -0.101 119.984 119.914 0.285 0.000 2.358 582 V HA -0.241 3.880 4.120 0.001 0.000 0.246 582 V C 2.361 178.500 176.094 0.075 0.000 1.047 582 V CA 1.708 64.128 62.300 0.200 0.000 1.035 582 V CB -0.477 31.440 31.823 0.156 0.000 0.658 582 V HN 0.463 nan 8.190 nan 0.000 0.452 583 E N 0.699 120.912 120.200 0.023 0.000 2.015 583 E HA -0.199 4.151 4.350 0.001 0.000 0.191 583 E C 2.274 178.805 176.600 -0.115 0.000 0.991 583 E CA 1.877 58.239 56.400 -0.063 0.000 0.802 583 E CB -0.523 29.117 29.700 -0.099 0.000 0.759 583 E HN 0.735 nan 8.360 nan 0.000 0.447 584 T N -0.625 113.831 114.554 -0.163 0.000 3.098 584 T HA -0.169 4.182 4.350 0.001 0.000 0.266 584 T C 0.985 175.570 174.700 -0.191 0.000 1.145 584 T CA 0.246 62.254 62.100 -0.153 0.000 1.092 584 T CB -0.106 68.625 68.868 -0.229 0.000 0.908 584 T HN 0.049 nan 8.240 nan 0.000 0.526 585 Q N 1.179 120.781 119.800 -0.330 0.000 2.395 585 Q HA 0.117 4.458 4.340 0.001 0.000 0.271 585 Q C -0.051 175.608 176.000 -0.569 0.000 1.026 585 Q CA -0.297 54.945 55.803 -0.935 0.000 0.900 585 Q CB 0.569 28.742 28.738 -0.942 0.000 1.266 585 Q HN 0.492 nan 8.270 nan 0.000 0.430 586 R N 3.226 123.364 120.500 -0.604 0.000 2.583 586 R HA 0.156 4.497 4.340 0.001 0.000 0.268 586 R C -1.705 174.397 176.300 -0.331 0.000 1.101 586 R CA -1.652 54.227 56.100 -0.367 0.000 1.180 586 R CB 0.001 30.109 30.300 -0.320 0.000 1.128 586 R HN 0.568 nan 8.270 nan 0.000 0.568 587 P HA -0.158 nan 4.420 nan 0.000 0.217 587 P C 0.268 177.459 177.300 -0.180 0.000 1.150 587 P CA 1.292 64.288 63.100 -0.174 0.000 0.832 587 P CB 0.094 31.721 31.700 -0.121 0.000 0.787 588 D N -1.799 118.471 120.400 -0.216 0.000 2.312 588 D HA 0.003 4.644 4.640 0.001 0.000 0.211 588 D C 1.488 177.628 176.300 -0.267 0.000 0.964 588 D CA 1.285 55.166 54.000 -0.197 0.000 0.877 588 D CB -0.935 39.749 40.800 -0.193 0.000 0.924 588 D HN 0.261 nan 8.370 nan 0.000 0.515 589 G N -1.338 107.218 108.800 -0.407 0.000 2.211 589 G HA2 -0.098 3.863 3.960 0.001 0.000 0.201 589 G HA3 -0.098 3.863 3.960 0.001 0.000 0.201 589 G C 0.617 175.148 174.900 -0.616 0.000 0.997 589 G CA 0.017 44.877 45.100 -0.399 0.000 0.652 589 G HN 0.787 nan 8.290 nan 0.000 0.500 590 G N -1.594 106.652 108.800 -0.924 0.000 2.531 590 G HA2 0.563 4.523 3.960 0.001 0.000 0.281 590 G HA3 0.563 4.523 3.960 0.001 0.000 0.281 590 G C -0.255 174.467 174.900 -0.296 0.000 1.382 590 G CA -0.481 44.255 45.100 -0.607 0.000 1.045 590 G HN 0.265 nan 8.290 nan 0.000 0.533 591 W N -1.607 119.805 121.300 0.186 0.000 3.047 591 W HA 0.395 5.056 4.660 0.001 0.000 0.341 591 W C -1.186 175.377 176.519 0.074 0.000 1.225 591 W CA -0.380 57.017 57.345 0.086 0.000 1.150 591 W CB 2.286 31.796 29.460 0.083 0.000 1.470 591 W HN 0.356 nan 8.180 nan 0.000 0.578 592 D N 0.764 121.343 120.400 0.297 0.000 2.350 592 D HA 0.337 4.977 4.640 0.001 0.000 0.238 592 D C -1.102 175.305 176.300 0.179 0.000 0.989 592 D CA -0.359 53.749 54.000 0.180 0.000 0.921 592 D CB 2.439 43.307 40.800 0.114 0.000 1.297 592 D HN 0.304 nan 8.370 nan 0.000 0.490 593 E N 1.175 121.450 120.200 0.125 0.000 2.829 593 E HA 0.132 4.483 4.350 0.001 0.000 0.350 593 E C -2.184 174.457 176.600 0.070 0.000 1.119 593 E CA -1.034 55.450 56.400 0.139 0.000 0.764 593 E CB 1.289 31.074 29.700 0.142 0.000 1.576 593 E HN 0.085 nan 8.360 nan 0.000 0.379 594 P HA -0.027 nan 4.420 nan 0.000 0.244 594 P C -0.621 176.358 177.300 -0.535 0.000 1.211 594 P CA 0.461 63.376 63.100 -0.309 0.000 0.760 594 P CB -0.170 31.274 31.700 -0.426 0.000 0.961 595 Y N -1.158 119.199 120.300 0.096 0.000 2.509 595 Y HA 0.398 4.948 4.550 0.001 0.000 0.341 595 Y C 0.706 176.752 175.900 0.244 0.000 1.038 595 Y CA -1.320 56.833 58.100 0.088 0.000 1.089 595 Y CB 0.677 39.185 38.460 0.079 0.000 1.241 595 Y HN -0.213 nan 8.280 nan 0.000 0.468 596 Y N 0.620 121.071 120.300 0.252 0.000 2.309 596 Y HA 0.242 4.793 4.550 0.001 0.000 0.327 596 Y C 1.147 177.167 175.900 0.200 0.000 1.172 596 Y CA -1.046 57.168 58.100 0.191 0.000 1.280 596 Y CB 1.142 39.702 38.460 0.166 0.000 1.234 596 Y HN 0.680 nan 8.280 nan 0.000 0.512 597 T N -1.761 113.034 114.554 0.403 0.000 3.111 597 T HA 0.407 4.758 4.350 0.001 0.000 0.284 597 T C 0.438 175.397 174.700 0.431 0.000 0.983 597 T CA -0.068 62.273 62.100 0.401 0.000 0.900 597 T CB -0.074 69.010 68.868 0.360 0.000 1.132 597 T HN 0.671 nan 8.240 nan 0.000 0.531 598 G N 0.561 109.581 108.800 0.366 0.000 2.420 598 G HA2 0.563 4.524 3.960 0.001 0.000 0.331 598 G HA3 0.563 4.524 3.960 0.001 0.000 0.331 598 G C -0.998 174.046 174.900 0.241 0.000 1.168 598 G CA -0.602 44.698 45.100 0.333 0.000 0.936 598 G HN 0.191 nan 8.290 nan 0.000 0.479 599 T N 1.009 115.631 114.554 0.114 0.000 2.770 599 T HA 0.510 4.861 4.350 0.001 0.000 0.283 599 T C 1.231 175.822 174.700 -0.181 0.000 0.988 599 T CA 0.193 62.242 62.100 -0.085 0.000 0.957 599 T CB 1.811 70.513 68.868 -0.277 0.000 0.930 599 T HN 0.610 nan 8.240 nan 0.000 0.443 600 G N 1.914 110.523 108.800 -0.319 0.000 2.508 600 G HA2 0.270 4.231 3.960 0.001 0.000 0.212 600 G HA3 0.270 4.231 3.960 0.001 0.000 0.212 600 G C -0.332 173.980 174.900 -0.980 0.000 1.206 600 G CA 0.339 45.171 45.100 -0.446 0.000 0.822 600 G HN 0.553 nan 8.290 nan 0.000 0.550 601 F N 0.500 120.177 119.950 -0.454 0.000 2.573 601 F HA 0.464 4.992 4.527 0.001 0.000 0.316 601 F C -2.526 172.869 175.800 -0.676 0.000 1.148 601 F CA -3.030 54.641 58.000 -0.548 0.000 0.940 601 F CB 2.075 40.805 39.000 -0.451 0.000 1.214 601 F HN -0.159 nan 8.300 nan 0.000 0.448 602 P HA 0.140 nan 4.420 nan 0.000 0.260 602 P C 0.866 178.018 177.300 -0.247 0.000 1.172 602 P CA 1.695 64.472 63.100 -0.539 0.000 0.760 602 P CB 0.493 32.181 31.700 -0.021 0.000 0.773 603 G N 3.342 112.069 108.800 -0.123 0.000 2.347 603 G HA2 -0.276 3.684 3.960 0.001 0.000 0.247 603 G HA3 -0.276 3.684 3.960 0.001 0.000 0.247 603 G C 0.807 175.737 174.900 0.051 0.000 1.037 603 G CA 0.458 45.635 45.100 0.128 0.000 0.622 603 G HN 0.525 nan 8.290 nan 0.000 0.521 604 D N -1.414 118.868 120.400 -0.198 0.000 2.479 604 D HA 0.335 4.976 4.640 0.001 0.000 0.221 604 D C -0.259 176.063 176.300 0.037 0.000 1.104 604 D CA 0.206 54.114 54.000 -0.154 0.000 0.849 604 D CB 0.883 41.303 40.800 -0.633 0.000 1.072 604 D HN 0.294 nan 8.370 nan 0.000 0.502 605 F N 1.153 120.835 119.950 -0.448 0.000 2.689 605 F HA 0.288 4.815 4.527 0.001 0.000 0.332 605 F C -1.716 173.718 175.800 -0.609 0.000 1.209 605 F CA -0.810 57.039 58.000 -0.251 0.000 1.028 605 F CB 0.961 39.915 39.000 -0.076 0.000 1.291 605 F HN -0.320 nan 8.300 nan 0.000 0.500 606 Y N 5.094 125.241 120.300 -0.254 0.000 2.528 606 Y HA 0.822 5.372 4.550 0.001 0.000 0.335 606 Y C -0.693 175.016 175.900 -0.319 0.000 1.093 606 Y CA -1.062 56.960 58.100 -0.130 0.000 1.134 606 Y CB 1.824 40.358 38.460 0.123 0.000 1.253 606 Y HN 0.381 nan 8.280 nan 0.000 0.478 607 L N 0.708 121.840 121.223 -0.151 0.000 2.388 607 L HA 0.764 5.105 4.340 0.001 0.000 0.264 607 L C -0.072 176.365 176.870 -0.722 0.000 0.998 607 L CA -1.118 53.414 54.840 -0.513 0.000 0.817 607 L CB 2.409 44.285 42.059 -0.305 0.000 1.338 607 L HN 0.825 nan 8.230 nan 0.000 0.414 608 G N 0.615 108.802 108.800 -1.022 0.000 2.468 608 G HA2 0.472 4.433 3.960 0.001 0.000 0.320 608 G HA3 0.472 4.433 3.960 0.001 0.000 0.320 608 G C -1.337 173.350 174.900 -0.356 0.000 1.137 608 G CA -0.175 44.554 45.100 -0.617 0.000 0.984 608 G HN 0.340 nan 8.290 nan 0.000 0.462 609 Y N 2.590 122.691 120.300 -0.332 0.000 2.556 609 Y HA 0.152 4.702 4.550 0.001 0.000 0.352 609 Y C 2.094 177.869 175.900 -0.208 0.000 1.006 609 Y CA -0.074 57.773 58.100 -0.422 0.000 1.277 609 Y CB 1.190 38.887 38.460 -1.273 0.000 1.136 609 Y HN 0.547 nan 8.280 nan 0.000 0.523 610 T N 2.665 117.217 114.554 -0.003 0.000 2.778 610 T HA -0.188 4.162 4.350 0.001 0.000 0.269 610 T C 1.918 176.693 174.700 0.126 0.000 1.050 610 T CA 1.370 63.504 62.100 0.057 0.000 1.137 610 T CB -0.058 68.828 68.868 0.030 0.000 0.860 610 T HN 0.544 nan 8.240 nan 0.000 0.468 611 M N -0.419 119.303 119.600 0.203 0.000 2.506 611 M HA 0.110 4.590 4.480 0.001 0.000 0.260 611 M C 1.641 178.117 176.300 0.293 0.000 1.104 611 M CA 0.673 56.130 55.300 0.262 0.000 1.112 611 M CB -0.825 31.915 32.600 0.233 0.000 1.401 611 M HN 0.239 nan 8.290 nan 0.000 0.473 612 Y N 1.828 122.235 120.300 0.178 0.000 2.114 612 Y HA -0.253 4.298 4.550 0.001 0.000 0.282 612 Y C 2.543 178.496 175.900 0.089 0.000 1.165 612 Y CA 1.730 59.984 58.100 0.258 0.000 1.148 612 Y CB -1.118 37.565 38.460 0.371 0.000 0.972 612 Y HN 0.396 nan 8.280 nan 0.000 0.504 613 R N -0.564 120.002 120.500 0.110 0.000 2.200 613 R HA -0.174 4.167 4.340 0.001 0.000 0.234 613 R C 1.289 177.548 176.300 -0.068 0.000 1.127 613 R CA 1.954 58.010 56.100 -0.073 0.000 0.989 613 R CB -0.723 29.490 30.300 -0.145 0.000 0.869 613 R HN 0.416 nan 8.270 nan 0.000 0.459 614 H N -0.254 118.954 119.070 0.230 0.000 2.506 614 H HA 0.175 4.731 4.556 0.001 0.000 0.289 614 H C 2.234 177.601 175.328 0.064 0.000 1.009 614 H CA 0.717 56.935 56.048 0.282 0.000 1.303 614 H CB 0.183 30.178 29.762 0.389 0.000 1.453 614 H HN 0.020 nan 8.280 nan 0.000 0.526 615 V N 0.831 120.756 119.914 0.017 0.000 2.407 615 V HA -0.151 3.969 4.120 0.001 0.000 0.245 615 V C 2.088 177.937 176.094 -0.409 0.000 1.041 615 V CA 1.303 63.437 62.300 -0.276 0.000 1.040 615 V CB -0.597 30.938 31.823 -0.480 0.000 0.671 615 V HN 0.103 nan 8.190 nan 0.000 0.455 616 F N 0.001 119.823 119.950 -0.213 0.000 2.206 616 F HA 0.035 4.562 4.527 0.001 0.000 0.298 616 F C -0.042 175.571 175.800 -0.311 0.000 1.090 616 F CA 1.066 58.907 58.000 -0.264 0.000 1.323 616 F CB -1.929 36.857 39.000 -0.356 0.000 1.028 616 F HN 0.274 nan 8.300 nan 0.000 0.492 617 P HA -0.105 nan 4.420 nan 0.000 0.216 617 P C 1.653 178.789 177.300 -0.274 0.000 1.153 617 P CA 2.062 64.862 63.100 -0.500 0.000 0.848 617 P CB -0.179 30.735 31.700 -1.311 0.000 0.787 618 T N -0.071 114.382 114.554 -0.168 0.000 2.720 618 T HA -0.159 4.191 4.350 0.001 0.000 0.268 618 T C 1.692 176.346 174.700 -0.076 0.000 1.037 618 T CA 1.079 63.157 62.100 -0.037 0.000 1.144 618 T CB -0.903 67.957 68.868 -0.013 0.000 0.864 618 T HN 0.005 nan 8.240 nan 0.000 0.444 619 L N 1.100 122.245 121.223 -0.130 0.000 2.056 619 L HA 0.134 4.475 4.340 0.001 0.000 0.207 619 L C 2.587 179.434 176.870 -0.039 0.000 1.078 619 L CA 1.766 56.538 54.840 -0.113 0.000 0.749 619 L CB -0.831 41.132 42.059 -0.160 0.000 0.901 619 L HN 0.204 nan 8.230 nan 0.000 0.433 620 A N -0.537 122.266 122.820 -0.027 0.000 1.898 620 A HA -0.128 4.192 4.320 0.001 0.000 0.216 620 A C 2.237 179.812 177.584 -0.016 0.000 1.181 620 A CA 1.807 53.835 52.037 -0.015 0.000 0.620 620 A CB -0.872 18.098 19.000 -0.050 0.000 0.819 620 A HN 0.482 nan 8.150 nan 0.000 0.442 621 L N -0.729 120.472 121.223 -0.037 0.000 2.083 621 L HA -0.120 4.220 4.340 0.001 0.000 0.209 621 L C 2.784 179.651 176.870 -0.004 0.000 1.083 621 L CA 1.018 55.844 54.840 -0.023 0.000 0.752 621 L CB -0.782 41.293 42.059 0.027 0.000 0.899 621 L HN 0.511 nan 8.230 nan 0.000 0.433 622 G N -0.149 108.652 108.800 0.001 0.000 2.408 622 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 622 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 622 G C 1.730 176.633 174.900 0.004 0.000 1.150 622 G CA 0.261 45.363 45.100 0.003 0.000 0.776 622 G HN 0.299 nan 8.290 nan 0.000 0.542 623 R N -1.337 119.173 120.500 0.017 0.000 2.236 623 R HA 0.057 4.398 4.340 0.001 0.000 0.208 623 R C 2.084 178.411 176.300 0.045 0.000 1.036 623 R CA 0.555 56.672 56.100 0.029 0.000 1.001 623 R CB -0.244 30.080 30.300 0.041 0.000 0.896 623 R HN 0.504 nan 8.270 nan 0.000 0.464 624 Y N 1.666 121.899 120.300 -0.111 0.000 2.176 624 Y HA -0.103 4.448 4.550 0.001 0.000 0.291 624 Y C 2.217 178.009 175.900 -0.180 0.000 1.122 624 Y CA 1.288 59.297 58.100 -0.151 0.000 1.128 624 Y CB -0.009 38.312 38.460 -0.232 0.000 1.005 624 Y HN -0.228 nan 8.280 nan 0.000 0.509 625 K N -0.183 120.105 120.400 -0.186 0.000 2.281 625 K HA -0.203 4.118 4.320 0.001 0.000 0.203 625 K C 1.932 178.480 176.600 -0.088 0.000 1.046 625 K CA 1.506 57.689 56.287 -0.173 0.000 0.938 625 K CB 0.011 32.493 32.500 -0.030 0.000 0.737 625 K HN 0.347 nan 8.250 nan 0.000 0.458 626 Q N -0.280 119.478 119.800 -0.070 0.000 2.083 626 Q HA -0.010 4.331 4.340 0.001 0.000 0.198 626 Q C 1.514 177.475 176.000 -0.064 0.000 0.969 626 Q CA 1.278 57.058 55.803 -0.039 0.000 0.838 626 Q CB -0.050 28.680 28.738 -0.014 0.000 0.900 626 Q HN 0.373 nan 8.270 nan 0.000 0.436 627 A N -0.257 122.496 122.820 -0.112 0.000 2.324 627 A HA 0.182 4.502 4.320 0.001 0.000 0.240 627 A C 0.979 178.467 177.584 -0.159 0.000 1.347 627 A CA 0.418 52.383 52.037 -0.119 0.000 1.036 627 A CB -0.361 18.568 19.000 -0.117 0.000 0.917 627 A HN 0.237 nan 8.150 nan 0.000 0.519 628 I N -2.744 117.749 120.570 -0.127 0.000 2.910 628 I HA 0.509 4.680 4.170 0.001 0.000 0.283 628 I C 0.645 176.743 176.117 -0.031 0.000 0.952 628 I CA 1.292 62.535 61.300 -0.094 0.000 2.062 628 I CB 0.338 38.259 38.000 -0.132 0.000 1.798 628 I HN 0.262 nan 8.210 nan 0.000 0.410 629 E N 0.000 120.196 120.200 -0.006 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440