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 3gip_1_A DATA FIRST_RESID 5 DATA SEQUENCE EKLDFKITGG WIIDGTGAPR RRADLGVRDG RIAAIGELGA HPARHAWDAS DATA SEQUENCE GKIVAPGFID VHGHDDLMFV EKPDLRWKTS QGITTVVVGN CGVSAAPAPL DATA SEQUENCE PGNTAAALAL LGETPLFADV PAYFAALDAQ RPMINVAALV GHANLRLAAM DATA SEQUENCE RDPQAAPTAA EQQAMQDMLQ AALEAGAVGF STGLAYQPGA VAQAAELEGL DATA SEQUENCE ARVAAERRRL HTSHIRNEAD GVEAAVEEVL AIGRGTGCAT VVSHHKCMMP DATA SEQUENCE QNWGRSRATL ANIDRAREQG VEVALDIYPY PGSSTILIPE RAETIDDIRI DATA SEQUENCE TWSTPHPECS GEYLADIAAR WGCDKTTAAR RLAPAGAIYF AMDEDEVKRI DATA SEQUENCE FQHPCCMVGS DGLPNDARPH PRLWGSFTRV LGRYVREARL MTLEQAVARM DATA SEQUENCE TALPARVFGF AERGVLQPGA WADVVVFDPD TVADRATWDE PTLASVGIAG DATA SEQUENCE VLVNGAEVFP QPPADGRPGQ VLRA 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.673 176.600 0.121 0.000 1.382 5 E CA 0.000 56.438 56.400 0.064 0.000 0.976 5 E CB 0.000 29.722 29.700 0.037 0.000 0.812 6 K N 4.003 124.444 120.400 0.068 0.000 2.489 6 K HA 0.114 4.434 4.320 -0.001 0.000 0.278 6 K C -0.356 176.222 176.600 -0.037 0.000 1.000 6 K CA 0.084 56.390 56.287 0.031 0.000 1.012 6 K CB 0.429 32.923 32.500 -0.010 0.000 0.903 6 K HN 0.410 nan 8.250 nan 0.000 0.485 7 L N 3.819 124.947 121.223 -0.159 0.000 2.395 7 L HA 0.052 4.391 4.340 -0.001 0.000 0.269 7 L C 1.092 177.900 176.870 -0.104 0.000 1.133 7 L CA -0.440 54.292 54.840 -0.181 0.000 0.812 7 L CB 0.954 42.802 42.059 -0.352 0.000 1.125 7 L HN 0.793 nan 8.230 nan 0.000 0.452 8 D N 1.185 121.565 120.400 -0.034 0.000 2.249 8 D HA 0.070 4.710 4.640 -0.001 0.000 0.205 8 D C -0.238 176.103 176.300 0.069 0.000 0.962 8 D CA 1.368 55.387 54.000 0.032 0.000 0.860 8 D CB 0.436 41.278 40.800 0.069 0.000 0.955 8 D HN 0.209 nan 8.370 nan 0.000 0.505 9 F N -0.308 119.579 119.950 -0.105 0.000 2.678 9 F HA 0.246 4.773 4.527 -0.001 0.000 0.308 9 F C -1.277 174.418 175.800 -0.176 0.000 1.118 9 F CA -1.084 56.819 58.000 -0.162 0.000 0.959 9 F CB 1.957 40.798 39.000 -0.265 0.000 1.305 9 F HN -0.384 nan 8.300 nan 0.000 0.443 10 K N 4.276 124.790 120.400 0.189 0.000 2.525 10 K HA 0.697 5.017 4.320 -0.001 0.000 0.254 10 K C -2.150 174.554 176.600 0.174 0.000 0.934 10 K CA -0.744 55.599 56.287 0.094 0.000 0.802 10 K CB 2.403 34.890 32.500 -0.020 0.000 1.295 10 K HN 0.591 nan 8.250 nan 0.000 0.433 11 I N 2.628 123.282 120.570 0.140 0.000 2.411 11 I HA 0.223 4.393 4.170 -0.001 0.000 0.284 11 I C -0.431 175.759 176.117 0.122 0.000 1.012 11 I CA -0.683 60.736 61.300 0.198 0.000 1.119 11 I CB 1.997 40.116 38.000 0.198 0.000 1.261 11 I HN 0.782 nan 8.210 nan 0.000 0.448 12 T N 3.240 117.867 114.554 0.122 0.000 2.950 12 T HA 0.607 4.957 4.350 -0.001 0.000 0.288 12 T C 0.985 175.714 174.700 0.049 0.000 1.035 12 T CA 0.532 62.670 62.100 0.063 0.000 1.028 12 T CB 1.568 70.466 68.868 0.051 0.000 1.109 12 T HN 0.949 nan 8.240 nan 0.000 0.514 13 G N 0.847 109.647 108.800 0.000 0.000 2.189 13 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.267 13 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.267 13 G C 0.609 175.497 174.900 -0.022 0.000 0.975 13 G CA 0.545 45.637 45.100 -0.014 0.000 0.644 13 G HN 1.164 nan 8.290 nan 0.000 0.537 14 G N -1.628 107.163 108.800 -0.016 0.000 2.557 14 G HA2 0.515 4.475 3.960 -0.001 0.000 0.302 14 G HA3 0.515 4.475 3.960 -0.001 0.000 0.302 14 G C -0.714 174.134 174.900 -0.086 0.000 1.311 14 G CA -0.870 44.249 45.100 0.032 0.000 1.030 14 G HN 0.287 nan 8.290 nan 0.000 0.509 15 W N -0.215 121.065 121.300 -0.032 0.000 2.475 15 W HA 0.502 5.161 4.660 -0.000 0.000 0.317 15 W C -0.319 176.182 176.519 -0.031 0.000 1.046 15 W CA -0.667 56.662 57.345 -0.026 0.000 1.215 15 W CB 1.413 30.854 29.460 -0.031 0.000 1.335 15 W HN 0.038 nan 8.180 nan 0.000 0.471 16 I N 5.459 126.113 120.570 0.139 0.000 2.371 16 I HA 0.246 4.416 4.170 -0.001 0.000 0.290 16 I C -0.004 176.198 176.117 0.142 0.000 1.028 16 I CA -0.704 60.658 61.300 0.105 0.000 1.345 16 I CB 0.599 38.630 38.000 0.052 0.000 1.407 16 I HN 0.338 nan 8.210 nan 0.000 0.501 17 I N 6.178 126.829 120.570 0.135 0.000 2.428 17 I HA 0.104 4.273 4.170 -0.001 0.000 0.279 17 I C 0.457 176.662 176.117 0.148 0.000 1.040 17 I CA -0.498 60.895 61.300 0.154 0.000 1.171 17 I CB 1.271 39.382 38.000 0.186 0.000 1.312 17 I HN 0.516 nan 8.210 nan 0.000 0.470 18 D N 3.804 124.277 120.400 0.122 0.000 2.363 18 D HA 0.028 4.667 4.640 -0.001 0.000 0.226 18 D C 1.428 177.800 176.300 0.121 0.000 1.020 18 D CA 0.769 54.834 54.000 0.108 0.000 0.892 18 D CB 0.366 41.215 40.800 0.081 0.000 0.900 18 D HN 0.731 nan 8.370 nan 0.000 0.531 19 G N -0.202 108.683 108.800 0.141 0.000 2.195 19 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.246 19 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.246 19 G C 1.201 176.170 174.900 0.115 0.000 0.984 19 G CA 0.777 45.964 45.100 0.146 0.000 0.633 19 G HN 0.618 nan 8.290 nan 0.000 0.525 20 T N -1.767 112.845 114.554 0.096 0.000 3.088 20 T HA 0.424 4.773 4.350 -0.001 0.000 0.259 20 T C 2.463 177.203 174.700 0.068 0.000 1.122 20 T CA 1.808 63.954 62.100 0.076 0.000 1.095 20 T CB 0.237 69.144 68.868 0.064 0.000 0.930 20 T HN 2.251 nan 8.240 nan 0.000 0.508 21 G N 1.111 109.958 108.800 0.078 0.000 2.194 21 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.236 21 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.236 21 G C 0.376 175.314 174.900 0.063 0.000 0.987 21 G CA -0.103 45.037 45.100 0.067 0.000 0.635 21 G HN 1.159 nan 8.290 nan 0.000 0.520 22 A N 0.869 123.729 122.820 0.067 0.000 2.425 22 A HA 0.640 4.960 4.320 -0.001 0.000 0.242 22 A C -1.362 176.269 177.584 0.079 0.000 1.077 22 A CA -0.351 51.725 52.037 0.065 0.000 0.781 22 A CB -0.044 18.993 19.000 0.063 0.000 1.020 22 A HN 0.211 nan 8.150 nan 0.000 0.494 23 P HA 0.104 nan 4.420 nan 0.000 0.266 23 P C -0.280 177.101 177.300 0.135 0.000 1.195 23 P CA 0.006 63.162 63.100 0.093 0.000 0.768 23 P CB 0.379 32.130 31.700 0.085 0.000 0.838 24 R N 3.488 124.083 120.500 0.158 0.000 2.640 24 R HA 0.159 4.499 4.340 -0.001 0.000 0.270 24 R C 0.011 176.554 176.300 0.405 0.000 1.024 24 R CA -0.011 56.240 56.100 0.252 0.000 1.085 24 R CB 0.245 30.683 30.300 0.230 0.000 0.963 24 R HN 0.543 nan 8.270 nan 0.000 0.426 25 R N 1.575 122.286 120.500 0.353 0.000 2.725 25 R HA 0.362 4.702 4.340 -0.001 0.000 0.277 25 R C -1.133 175.045 176.300 -0.203 0.000 0.987 25 R CA -1.360 54.846 56.100 0.176 0.000 0.901 25 R CB 1.231 31.569 30.300 0.063 0.000 1.207 25 R HN 0.590 nan 8.270 nan 0.000 0.463 26 R N 2.164 122.188 120.500 -0.793 0.000 2.343 26 R HA 0.492 4.832 4.340 -0.001 0.000 0.326 26 R C -1.373 174.652 176.300 -0.458 0.000 1.055 26 R CA 0.490 55.955 56.100 -1.059 0.000 0.961 26 R CB 0.252 29.796 30.300 -1.260 0.000 0.978 26 R HN 0.843 nan 8.270 nan 0.000 0.443 27 A N 3.661 126.291 122.820 -0.317 0.000 2.608 27 A HA 0.453 4.773 4.320 -0.001 0.000 0.292 27 A C -1.729 175.794 177.584 -0.103 0.000 1.066 27 A CA -1.031 50.908 52.037 -0.163 0.000 0.676 27 A CB 1.265 20.204 19.000 -0.101 0.000 1.277 27 A HN 0.654 nan 8.150 nan 0.000 0.413 28 D N 0.151 120.517 120.400 -0.057 0.000 2.217 28 D HA 0.562 5.201 4.640 -0.001 0.000 0.248 28 D C -0.946 175.353 176.300 -0.002 0.000 1.008 28 D CA -0.088 53.901 54.000 -0.018 0.000 0.914 28 D CB 2.118 42.916 40.800 -0.003 0.000 1.182 28 D HN 0.394 nan 8.370 nan 0.000 0.451 29 L N 0.568 121.799 121.223 0.014 0.000 2.341 29 L HA 0.633 4.973 4.340 -0.001 0.000 0.278 29 L C -0.147 176.727 176.870 0.006 0.000 1.005 29 L CA -0.258 54.587 54.840 0.009 0.000 0.818 29 L CB 1.725 43.790 42.059 0.011 0.000 1.259 29 L HN 0.392 nan 8.230 nan 0.000 0.418 30 G N 4.149 112.945 108.800 -0.007 0.000 2.416 30 G HA2 0.635 4.594 3.960 -0.001 0.000 0.329 30 G HA3 0.635 4.594 3.960 -0.001 0.000 0.329 30 G C -1.637 173.245 174.900 -0.030 0.000 1.173 30 G CA -0.466 44.617 45.100 -0.029 0.000 0.929 30 G HN 0.502 nan 8.290 nan 0.000 0.475 31 V N 1.793 121.692 119.914 -0.024 0.000 2.656 31 V HA 0.753 4.873 4.120 -0.001 0.000 0.307 31 V C -0.016 176.070 176.094 -0.013 0.000 1.051 31 V CA -0.907 61.382 62.300 -0.019 0.000 0.893 31 V CB 1.968 33.780 31.823 -0.018 0.000 0.999 31 V HN 0.858 nan 8.190 nan 0.000 0.426 32 R N 2.505 122.992 120.500 -0.022 0.000 2.535 32 R HA 0.330 4.670 4.340 -0.001 0.000 0.274 32 R C -1.176 175.111 176.300 -0.021 0.000 1.090 32 R CA -0.406 55.683 56.100 -0.017 0.000 0.930 32 R CB 1.481 31.765 30.300 -0.026 0.000 1.223 32 R HN 0.856 nan 8.270 nan 0.000 0.441 33 D N 3.018 123.418 120.400 -0.001 0.000 2.772 33 D HA -0.188 4.451 4.640 -0.001 0.000 0.233 33 D C 0.687 177.008 176.300 0.035 0.000 1.143 33 D CA 1.866 55.870 54.000 0.007 0.000 0.700 33 D CB -0.948 39.839 40.800 -0.021 0.000 1.076 33 D HN 1.086 nan 8.370 nan 0.000 0.430 34 G N -0.800 108.037 108.800 0.062 0.000 2.184 34 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.264 34 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.264 34 G C 0.409 175.388 174.900 0.131 0.000 0.975 34 G CA 0.717 45.911 45.100 0.156 0.000 0.642 34 G HN 0.458 nan 8.290 nan 0.000 0.536 35 R N -0.483 119.989 120.500 -0.046 0.000 2.873 35 R HA 0.622 4.962 4.340 -0.001 0.000 0.264 35 R C 0.266 176.515 176.300 -0.086 0.000 1.026 35 R CA -1.139 54.874 56.100 -0.145 0.000 1.002 35 R CB 1.012 31.125 30.300 -0.312 0.000 1.174 35 R HN 0.202 nan 8.270 nan 0.000 0.488 36 I N 2.027 122.546 120.570 -0.085 0.000 2.421 36 I HA 0.004 4.174 4.170 -0.001 0.000 0.291 36 I C 1.289 177.370 176.117 -0.060 0.000 1.089 36 I CA 0.217 61.484 61.300 -0.055 0.000 1.354 36 I CB 1.175 39.152 38.000 -0.038 0.000 1.413 36 I HN 0.722 nan 8.210 nan 0.000 0.513 37 A N 5.637 128.431 122.820 -0.044 0.000 2.081 37 A HA 0.598 4.918 4.320 -0.001 0.000 0.214 37 A C 0.949 178.528 177.584 -0.008 0.000 1.158 37 A CA 0.871 52.889 52.037 -0.032 0.000 0.724 37 A CB 0.163 19.149 19.000 -0.023 0.000 0.826 37 A HN 0.781 nan 8.150 nan 0.000 0.463 38 A N -1.251 121.567 122.820 -0.002 0.000 2.583 38 A HA 0.644 4.964 4.320 -0.001 0.000 0.292 38 A C -1.504 176.085 177.584 0.010 0.000 1.045 38 A CA -0.410 51.635 52.037 0.013 0.000 0.672 38 A CB 0.490 19.520 19.000 0.051 0.000 1.283 38 A HN 0.287 nan 8.150 nan 0.000 0.419 39 I N 0.857 121.432 120.570 0.009 0.000 2.571 39 I HA 0.682 4.851 4.170 -0.001 0.000 0.289 39 I C 0.590 176.706 176.117 -0.001 0.000 1.115 39 I CA 0.312 61.614 61.300 0.003 0.000 1.045 39 I CB 2.170 40.170 38.000 -0.000 0.000 1.238 39 I HN 1.482 nan 8.210 nan 0.000 0.424 40 G N 5.036 113.831 108.800 -0.009 0.000 2.384 40 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.113 40 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.113 40 G C -1.400 173.488 174.900 -0.020 0.000 1.224 40 G CA -0.598 44.490 45.100 -0.019 0.000 1.126 40 G HN 0.516 nan 8.290 nan 0.000 0.461 41 E N 0.991 121.184 120.200 -0.012 0.000 2.089 41 E HA 0.665 5.015 4.350 -0.001 0.000 0.284 41 E C 0.440 177.055 176.600 0.024 0.000 1.023 41 E CA -0.259 56.136 56.400 -0.009 0.000 0.819 41 E CB 0.532 30.221 29.700 -0.017 0.000 1.076 41 E HN 0.402 nan 8.360 nan 0.000 0.396 42 L N 3.707 124.952 121.223 0.036 0.000 3.229 42 L HA 0.353 4.692 4.340 -0.001 0.000 0.286 42 L C 1.677 178.590 176.870 0.071 0.000 1.239 42 L CA 0.023 54.914 54.840 0.086 0.000 1.035 42 L CB 0.713 42.818 42.059 0.076 0.000 1.408 42 L HN 0.738 nan 8.230 nan 0.000 0.593 43 G N 0.852 109.675 108.800 0.038 0.000 2.469 43 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.219 43 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.219 43 G C 1.378 176.300 174.900 0.037 0.000 1.150 43 G CA 1.067 46.185 45.100 0.029 0.000 0.763 43 G HN 0.453 nan 8.290 nan 0.000 0.561 44 A N -1.116 121.730 122.820 0.044 0.000 2.348 44 A HA 0.333 4.652 4.320 -0.001 0.000 0.224 44 A C 0.649 178.283 177.584 0.082 0.000 1.227 44 A CA -0.360 51.701 52.037 0.040 0.000 0.885 44 A CB -0.311 18.697 19.000 0.013 0.000 0.933 44 A HN 0.556 nan 8.150 nan 0.000 0.506 45 H N 1.367 120.426 119.070 -0.018 0.000 2.800 45 H HA 0.299 4.854 4.556 -0.001 0.000 0.291 45 H C -2.532 172.780 175.328 -0.027 0.000 1.076 45 H CA -2.318 53.718 56.048 -0.021 0.000 1.452 45 H CB 0.724 30.475 29.762 -0.018 0.000 1.461 45 H HN 0.098 nan 8.280 nan 0.000 0.488 46 P HA 0.076 nan 4.420 nan 0.000 0.266 46 P C -1.395 175.854 177.300 -0.084 0.000 1.195 46 P CA 0.187 63.319 63.100 0.052 0.000 0.768 46 P CB 0.912 32.652 31.700 0.067 0.000 0.838 47 A N 2.700 125.446 122.820 -0.125 0.000 2.574 47 A HA 0.393 4.713 4.320 -0.001 0.000 0.297 47 A C 0.798 178.250 177.584 -0.220 0.000 1.062 47 A CA -0.679 51.248 52.037 -0.184 0.000 0.686 47 A CB 1.339 20.220 19.000 -0.199 0.000 1.285 47 A HN 0.428 nan 8.150 nan 0.000 0.403 48 R N -0.203 120.145 120.500 -0.253 0.000 2.092 48 R HA -0.005 4.334 4.340 -0.001 0.000 0.231 48 R C -0.304 175.538 176.300 -0.763 0.000 1.119 48 R CA 1.409 57.259 56.100 -0.417 0.000 0.970 48 R CB -0.156 29.951 30.300 -0.320 0.000 0.864 48 R HN 0.804 nan 8.270 nan 0.000 0.440 49 H N -1.849 116.884 119.070 -0.562 0.000 2.768 49 H HA 0.650 5.206 4.556 -0.001 0.000 0.371 49 H C -1.229 173.566 175.328 -0.889 0.000 1.151 49 H CA -0.647 54.858 56.048 -0.905 0.000 1.165 49 H CB 2.238 30.958 29.762 -1.737 0.000 1.722 49 H HN 0.154 nan 8.280 nan 0.000 0.543 50 A N 1.601 124.145 122.820 -0.459 0.000 2.520 50 A HA 0.561 4.881 4.320 -0.001 0.000 0.298 50 A C -1.962 175.741 177.584 0.198 0.000 1.051 50 A CA -0.761 51.199 52.037 -0.129 0.000 0.690 50 A CB 1.267 20.238 19.000 -0.049 0.000 1.281 50 A HN 0.437 nan 8.150 nan 0.000 0.402 51 W N 0.966 122.384 121.300 0.196 0.000 2.736 51 W HA 0.488 5.149 4.660 0.000 0.000 0.335 51 W C -0.856 175.723 176.519 0.100 0.000 1.059 51 W CA -0.860 56.589 57.345 0.173 0.000 1.226 51 W CB 1.904 31.503 29.460 0.231 0.000 1.416 51 W HN 0.755 nan 8.180 nan 0.000 0.505 52 D N 1.747 122.313 120.400 0.277 0.000 2.428 52 D HA 0.414 5.054 4.640 -0.001 0.000 0.221 52 D C 0.402 176.773 176.300 0.120 0.000 1.123 52 D CA -0.105 53.988 54.000 0.155 0.000 0.869 52 D CB 1.054 41.915 40.800 0.102 0.000 1.032 52 D HN 0.342 nan 8.370 nan 0.000 0.506 53 A N 3.083 125.976 122.820 0.121 0.000 2.411 53 A HA 0.196 4.516 4.320 -0.001 0.000 0.251 53 A C 0.787 178.417 177.584 0.076 0.000 1.317 53 A CA -0.424 51.666 52.037 0.088 0.000 0.904 53 A CB -0.226 18.834 19.000 0.099 0.000 0.993 53 A HN 0.425 nan 8.150 nan 0.000 0.504 54 S N 0.064 115.808 115.700 0.074 0.000 2.563 54 S HA 0.357 4.827 4.470 -0.001 0.000 0.294 54 S C 1.462 176.117 174.600 0.092 0.000 1.279 54 S CA 0.966 59.217 58.200 0.085 0.000 1.069 54 S CB 0.314 63.556 63.200 0.069 0.000 0.828 54 S HN 1.628 nan 8.310 nan 0.000 0.497 55 G N 2.237 111.119 108.800 0.137 0.000 2.153 55 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.252 55 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.252 55 G C -0.107 174.830 174.900 0.061 0.000 0.994 55 G CA 0.238 45.398 45.100 0.101 0.000 0.698 55 G HN 0.522 nan 8.290 nan 0.000 0.521 56 K N -0.594 119.848 120.400 0.070 0.000 2.395 56 K HA 0.728 5.047 4.320 -0.001 0.000 0.245 56 K C -0.174 176.388 176.600 -0.063 0.000 1.017 56 K CA -1.107 55.162 56.287 -0.029 0.000 0.852 56 K CB 1.635 34.115 32.500 -0.034 0.000 1.311 56 K HN 0.025 nan 8.250 nan 0.000 0.452 57 I N 1.645 122.017 120.570 -0.330 0.000 2.392 57 I HA 0.281 4.451 4.170 -0.001 0.000 0.295 57 I C -0.259 175.667 176.117 -0.318 0.000 0.985 57 I CA -0.913 60.156 61.300 -0.385 0.000 1.221 57 I CB 1.621 39.108 38.000 -0.855 0.000 1.366 57 I HN 0.138 nan 8.210 nan 0.000 0.467 58 V N 5.734 125.596 119.914 -0.087 0.000 2.357 58 V HA 0.768 4.888 4.120 -0.001 0.000 0.284 58 V C 0.272 176.397 176.094 0.052 0.000 1.018 58 V CA -0.414 61.885 62.300 -0.001 0.000 0.841 58 V CB 1.224 33.070 31.823 0.039 0.000 0.991 58 V HN 0.922 nan 8.190 nan 0.000 0.437 59 A N 7.058 129.938 122.820 0.101 0.000 2.486 59 A HA 1.044 5.363 4.320 -0.001 0.000 0.289 59 A C -3.087 174.555 177.584 0.097 0.000 1.176 59 A CA -2.051 50.087 52.037 0.168 0.000 0.757 59 A CB 2.018 21.245 19.000 0.377 0.000 1.337 59 A HN 0.580 nan 8.150 nan 0.000 0.423 60 P HA 0.316 nan 4.420 nan 0.000 0.271 60 P C 0.366 177.649 177.300 -0.027 0.000 1.218 60 P CA 0.273 63.413 63.100 0.066 0.000 0.780 60 P CB 0.589 32.363 31.700 0.124 0.000 0.901 61 G N 2.004 110.737 108.800 -0.111 0.000 2.484 61 G HA2 0.178 4.138 3.960 -0.001 0.000 0.235 61 G HA3 0.178 4.138 3.960 -0.001 0.000 0.235 61 G C -0.582 174.223 174.900 -0.158 0.000 1.282 61 G CA -0.257 44.678 45.100 -0.275 0.000 0.857 61 G HN 0.230 nan 8.290 nan 0.000 0.571 62 F N 0.210 120.063 119.950 -0.162 0.000 2.429 62 F HA 0.351 4.878 4.527 -0.000 0.000 0.348 62 F C 0.972 176.588 175.800 -0.307 0.000 1.109 62 F CA -1.090 56.765 58.000 -0.241 0.000 1.232 62 F CB 0.762 39.445 39.000 -0.529 0.000 1.157 62 F HN 0.143 nan 8.300 nan 0.000 0.564 63 I N 2.720 123.337 120.570 0.078 0.000 2.328 63 I HA 0.117 4.287 4.170 -0.001 0.000 0.287 63 I C -0.335 175.854 176.117 0.119 0.000 1.012 63 I CA -0.661 60.665 61.300 0.044 0.000 1.195 63 I CB 1.040 39.137 38.000 0.161 0.000 1.350 63 I HN 0.395 nan 8.210 nan 0.000 0.464 64 D N 6.486 126.891 120.400 0.008 0.000 2.402 64 D HA 0.071 4.711 4.640 -0.001 0.000 0.235 64 D C 1.103 177.480 176.300 0.129 0.000 1.226 64 D CA -0.257 53.874 54.000 0.218 0.000 0.918 64 D CB 1.339 42.206 40.800 0.112 0.000 1.043 64 D HN 0.404 nan 8.370 nan 0.000 0.506 65 V N 2.209 122.222 119.914 0.164 0.000 3.380 65 V HA 0.055 4.175 4.120 -0.001 0.000 0.268 65 V C 0.599 176.726 176.094 0.056 0.000 1.168 65 V CA 0.799 63.089 62.300 -0.018 0.000 1.156 65 V CB -0.960 30.933 31.823 0.115 0.000 0.785 65 V HN 0.533 nan 8.190 nan 0.000 0.487 66 H N 0.359 119.469 119.070 0.067 0.000 2.380 66 H HA 0.681 5.237 4.556 -0.000 0.000 0.231 66 H C 0.380 175.698 175.328 -0.017 0.000 1.415 66 H CA 0.173 56.238 56.048 0.029 0.000 1.433 66 H CB 0.203 30.019 29.762 0.089 0.000 1.544 66 H HN 0.502 nan 8.280 nan 0.000 0.503 67 G N 0.350 109.065 108.800 -0.143 0.000 2.441 67 G HA2 0.214 4.174 3.960 -0.001 0.000 0.334 67 G HA3 0.214 4.174 3.960 -0.001 0.000 0.334 67 G C -0.376 174.382 174.900 -0.237 0.000 1.161 67 G CA -0.457 44.603 45.100 -0.066 0.000 0.935 67 G HN 0.676 nan 8.290 nan 0.000 0.488 68 H N 0.059 119.180 119.070 0.084 0.000 2.575 68 H HA 0.154 4.709 4.556 -0.001 0.000 0.256 68 H C 0.011 175.358 175.328 0.032 0.000 1.162 68 H CA -0.314 55.767 56.048 0.055 0.000 0.969 68 H CB 0.871 30.668 29.762 0.058 0.000 1.796 68 H HN 0.551 nan 8.280 nan 0.000 0.607 69 D N 0.681 121.157 120.400 0.128 0.000 2.323 69 D HA -0.045 4.595 4.640 -0.001 0.000 0.239 69 D C 0.526 176.756 176.300 -0.117 0.000 1.129 69 D CA 0.059 54.055 54.000 -0.007 0.000 0.865 69 D CB 0.363 41.147 40.800 -0.027 0.000 0.913 69 D HN 0.330 nan 8.370 nan 0.000 0.517 70 D N 1.168 121.640 120.400 0.119 0.000 2.192 70 D HA -0.198 4.442 4.640 -0.001 0.000 0.189 70 D C 1.749 178.222 176.300 0.289 0.000 1.007 70 D CA 1.166 55.324 54.000 0.264 0.000 0.859 70 D CB -0.091 40.785 40.800 0.127 0.000 0.936 70 D HN 0.316 nan 8.370 nan 0.000 0.447 71 L N -0.390 120.903 121.223 0.118 0.000 2.607 71 L HA 0.183 4.523 4.340 -0.001 0.000 0.228 71 L C 1.469 178.366 176.870 0.046 0.000 1.123 71 L CA -0.188 54.749 54.840 0.163 0.000 0.890 71 L CB -0.006 42.110 42.059 0.095 0.000 1.103 71 L HN 0.019 nan 8.230 nan 0.000 0.468 72 M N -0.515 118.984 119.600 -0.168 0.000 2.419 72 M HA -0.007 4.473 4.480 -0.001 0.000 0.264 72 M C 1.740 177.944 176.300 -0.159 0.000 1.082 72 M CA 1.307 56.514 55.300 -0.155 0.000 1.119 72 M CB -0.767 31.787 32.600 -0.077 0.000 1.398 72 M HN 0.181 nan 8.290 nan 0.000 0.453 73 F N -0.782 119.264 119.950 0.161 0.000 2.451 73 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 73 F C 2.412 178.269 175.800 0.095 0.000 1.101 73 F CA 0.640 58.691 58.000 0.086 0.000 1.436 73 F CB -1.076 37.948 39.000 0.041 0.000 1.074 73 F HN 0.018 nan 8.300 nan 0.000 0.553 74 V N -1.124 118.936 119.914 0.243 0.000 3.048 74 V HA 0.029 4.149 4.120 -0.001 0.000 0.241 74 V C 1.853 178.023 176.094 0.127 0.000 1.129 74 V CA 0.946 63.364 62.300 0.197 0.000 1.128 74 V CB 0.242 32.217 31.823 0.253 0.000 0.849 74 V HN 0.163 nan 8.190 nan 0.000 0.475 75 E N 0.578 120.839 120.200 0.101 0.000 2.033 75 E HA -0.018 4.331 4.350 -0.001 0.000 0.189 75 E C 0.352 176.998 176.600 0.077 0.000 0.979 75 E CA 0.767 57.206 56.400 0.064 0.000 0.802 75 E CB 0.121 29.837 29.700 0.027 0.000 0.763 75 E HN 0.454 nan 8.360 nan 0.000 0.449 76 K N 0.860 121.328 120.400 0.114 0.000 2.842 76 K HA 0.169 4.488 4.320 -0.001 0.000 0.176 76 K C -2.273 174.439 176.600 0.188 0.000 1.080 76 K CA -1.097 55.300 56.287 0.182 0.000 0.954 76 K CB 1.690 34.349 32.500 0.264 0.000 1.203 76 K HN -0.042 nan 8.250 nan 0.000 0.611 77 P HA -0.274 nan 4.420 nan 0.000 0.219 77 P C 0.523 177.830 177.300 0.012 0.000 1.144 77 P CA 1.430 64.578 63.100 0.080 0.000 0.806 77 P CB 0.223 31.971 31.700 0.079 0.000 0.771 78 D N 0.522 120.934 120.400 0.020 0.000 2.178 78 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 78 D C 1.144 177.295 176.300 -0.249 0.000 0.980 78 D CA 0.441 54.419 54.000 -0.038 0.000 0.842 78 D CB -0.721 40.116 40.800 0.061 0.000 0.948 78 D HN 0.025 nan 8.370 nan 0.000 0.472 79 L N 0.493 121.365 121.223 -0.587 0.000 3.858 79 L HA -0.245 4.095 4.340 -0.001 0.000 0.425 79 L C 1.483 177.688 176.870 -1.108 0.000 1.177 79 L CA 0.397 54.400 54.840 -1.395 0.000 0.943 79 L CB -1.652 39.940 42.059 -0.778 0.000 1.861 79 L HN 0.223 nan 8.230 nan 0.000 0.985 80 R N 0.641 120.798 120.500 -0.573 0.000 2.152 80 R HA -0.169 4.171 4.340 -0.001 0.000 0.232 80 R C 1.980 177.939 176.300 -0.567 0.000 1.117 80 R CA 2.338 58.285 56.100 -0.256 0.000 0.981 80 R CB -0.347 30.052 30.300 0.165 0.000 0.870 80 R HN 0.689 nan 8.270 nan 0.000 0.451 81 W N -0.079 120.623 121.300 -0.996 0.000 2.525 81 W HA 0.030 4.690 4.660 -0.000 0.000 0.259 81 W C 1.110 177.171 176.519 -0.763 0.000 1.253 81 W CA 0.284 56.611 57.345 -1.698 0.000 1.262 81 W CB -0.043 28.367 29.460 -1.751 0.000 1.122 81 W HN -0.134 nan 8.180 nan 0.000 0.607 82 K N 0.812 120.705 120.400 -0.846 0.000 2.108 82 K HA 0.000 4.320 4.320 -0.001 0.000 0.204 82 K C 2.214 178.569 176.600 -0.409 0.000 1.036 82 K CA 2.159 58.121 56.287 -0.541 0.000 0.965 82 K CB -1.424 30.721 32.500 -0.591 0.000 0.804 82 K HN 0.310 nan 8.250 nan 0.000 0.454 83 T N 0.528 114.842 114.554 -0.401 0.000 2.759 83 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 83 T C 2.139 176.560 174.700 -0.465 0.000 1.042 83 T CA 1.972 63.886 62.100 -0.309 0.000 1.140 83 T CB -0.508 68.281 68.868 -0.131 0.000 0.864 83 T HN 0.195 nan 8.240 nan 0.000 0.455 84 S N 2.036 117.502 115.700 -0.390 0.000 2.507 84 S HA -0.129 4.341 4.470 -0.001 0.000 0.235 84 S C 1.840 176.214 174.600 -0.377 0.000 0.988 84 S CA 0.755 58.654 58.200 -0.501 0.000 0.944 84 S CB -0.659 62.592 63.200 0.086 0.000 0.762 84 S HN 0.925 nan 8.310 nan 0.000 0.526 85 Q N -0.229 119.422 119.800 -0.248 0.000 2.172 85 Q HA 0.533 4.872 4.340 -0.001 0.000 0.217 85 Q C 1.023 176.984 176.000 -0.065 0.000 0.832 85 Q CA 0.077 55.828 55.803 -0.088 0.000 1.010 85 Q CB 0.063 28.834 28.738 0.055 0.000 1.133 85 Q HN 0.511 nan 8.270 nan 0.000 0.489 86 G N 1.420 110.057 108.800 -0.272 0.000 2.143 86 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.249 86 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.249 86 G C 0.008 174.640 174.900 -0.446 0.000 0.981 86 G CA 0.042 44.909 45.100 -0.387 0.000 0.665 86 G HN 0.436 nan 8.290 nan 0.000 0.528 87 I N 1.725 122.082 120.570 -0.355 0.000 2.416 87 I HA 0.350 4.520 4.170 -0.001 0.000 0.288 87 I C 1.704 177.631 176.117 -0.317 0.000 1.051 87 I CA 0.623 61.691 61.300 -0.387 0.000 1.375 87 I CB 1.388 39.133 38.000 -0.425 0.000 1.407 87 I HN 0.250 nan 8.210 nan 0.000 0.516 88 T N -0.504 113.882 114.554 -0.280 0.000 2.975 88 T HA 0.198 4.547 4.350 -0.001 0.000 0.257 88 T C 0.540 175.092 174.700 -0.247 0.000 1.003 88 T CA -0.025 61.929 62.100 -0.244 0.000 0.932 88 T CB 0.311 69.048 68.868 -0.218 0.000 1.087 88 T HN 0.515 nan 8.240 nan 0.000 0.512 89 T N 1.293 115.704 114.554 -0.238 0.000 2.933 89 T HA 0.672 5.022 4.350 -0.001 0.000 0.305 89 T C -1.769 172.817 174.700 -0.190 0.000 1.092 89 T CA -0.571 61.373 62.100 -0.260 0.000 1.008 89 T CB 2.514 71.187 68.868 -0.324 0.000 1.102 89 T HN 0.140 nan 8.240 nan 0.000 0.469 90 V N 3.101 122.921 119.914 -0.158 0.000 2.789 90 V HA 0.732 4.852 4.120 -0.001 0.000 0.311 90 V C -1.209 174.852 176.094 -0.055 0.000 1.073 90 V CA -0.573 61.689 62.300 -0.064 0.000 0.921 90 V CB 2.043 33.886 31.823 0.033 0.000 1.009 90 V HN 0.733 nan 8.190 nan 0.000 0.426 91 V N 7.381 127.254 119.914 -0.069 0.000 2.333 91 V HA 0.490 4.609 4.120 -0.001 0.000 0.274 91 V C 0.262 176.343 176.094 -0.022 0.000 1.028 91 V CA -0.060 62.191 62.300 -0.082 0.000 0.851 91 V CB 1.265 32.887 31.823 -0.335 0.000 1.000 91 V HN 0.869 nan 8.190 nan 0.000 0.456 92 V N 2.024 121.988 119.914 0.084 0.000 3.302 92 V HA 1.025 5.144 4.120 -0.001 0.000 0.316 92 V C 0.951 177.105 176.094 0.101 0.000 1.111 92 V CA -0.056 62.308 62.300 0.108 0.000 1.029 92 V CB 1.156 33.145 31.823 0.277 0.000 1.170 92 V HN 1.446 nan 8.190 nan 0.000 0.452 93 G N 0.726 109.585 108.800 0.099 0.000 2.171 93 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.238 93 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.238 93 G C -0.050 174.906 174.900 0.092 0.000 1.039 93 G CA 0.203 45.371 45.100 0.114 0.000 0.759 93 G HN 0.918 nan 8.290 nan 0.000 0.501 94 N N -0.976 117.725 118.700 0.001 0.000 2.434 94 N HA 0.395 5.135 4.740 -0.001 0.000 0.266 94 N C 1.377 177.049 175.510 0.270 0.000 1.223 94 N CA 0.395 53.420 53.050 -0.041 0.000 0.972 94 N CB 1.094 39.193 38.487 -0.646 0.000 1.207 94 N HN 0.704 nan 8.380 nan 0.000 0.525 95 C N -0.148 119.352 119.300 0.332 0.000 4.356 95 C HA -0.142 4.317 4.460 -0.001 0.000 0.296 95 C C 1.421 176.635 174.990 0.373 0.000 1.424 95 C CA 0.504 59.810 59.018 0.479 0.000 2.000 95 C CB -2.463 25.726 27.740 0.749 0.000 1.262 95 C HN 1.117 nan 8.230 nan 0.000 0.789 96 G N -1.892 107.089 108.800 0.301 0.000 2.199 96 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.254 96 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.254 96 G C 0.006 175.022 174.900 0.193 0.000 0.982 96 G CA 0.406 45.673 45.100 0.278 0.000 0.632 96 G HN 2.187 nan 8.290 nan 0.000 0.529 97 V N -0.716 119.304 119.914 0.177 0.000 2.495 97 V HA 0.955 5.075 4.120 -0.001 0.000 0.298 97 V C 0.014 176.176 176.094 0.113 0.000 1.031 97 V CA 0.118 62.482 62.300 0.107 0.000 0.871 97 V CB 1.445 33.296 31.823 0.046 0.000 0.988 97 V HN 1.451 nan 8.190 nan 0.000 0.432 98 S N 3.172 118.909 115.700 0.061 0.000 2.685 98 S HA 0.849 5.318 4.470 -0.001 0.000 0.282 98 S C 0.926 175.494 174.600 -0.052 0.000 1.159 98 S CA -0.256 57.960 58.200 0.026 0.000 0.833 98 S CB 1.547 64.768 63.200 0.035 0.000 1.151 98 S HN 1.693 nan 8.310 nan 0.000 0.485 99 A N 0.188 122.897 122.820 -0.185 0.000 2.019 99 A HA 0.560 4.880 4.320 -0.001 0.000 0.219 99 A C 1.088 178.592 177.584 -0.134 0.000 1.164 99 A CA 1.341 53.215 52.037 -0.271 0.000 0.644 99 A CB -0.973 17.438 19.000 -0.983 0.000 0.805 99 A HN 1.741 nan 8.150 nan 0.000 0.449 100 A N -1.482 121.249 122.820 -0.148 0.000 2.606 100 A HA 0.679 4.999 4.320 -0.001 0.000 0.293 100 A C -3.121 174.447 177.584 -0.027 0.000 1.082 100 A CA -1.562 50.450 52.037 -0.040 0.000 0.685 100 A CB 1.041 20.032 19.000 -0.015 0.000 1.284 100 A HN 0.039 nan 8.150 nan 0.000 0.408 101 P HA 0.468 nan 4.420 nan 0.000 0.276 101 P C -0.133 177.169 177.300 0.004 0.000 1.252 101 P CA 0.030 63.134 63.100 0.007 0.000 0.802 101 P CB 1.142 32.844 31.700 0.003 0.000 1.035 102 A N 2.646 125.471 122.820 0.009 0.000 2.425 102 A HA 0.454 4.774 4.320 -0.001 0.000 0.249 102 A C -1.848 175.728 177.584 -0.014 0.000 1.084 102 A CA -1.258 50.774 52.037 -0.009 0.000 0.781 102 A CB -1.126 17.866 19.000 -0.013 0.000 1.019 102 A HN 0.456 nan 8.150 nan 0.000 0.490 103 P HA 0.247 nan 4.420 nan 0.000 0.274 103 P C -0.435 176.853 177.300 -0.019 0.000 1.246 103 P CA -0.281 62.806 63.100 -0.021 0.000 0.795 103 P CB 0.549 32.233 31.700 -0.025 0.000 1.006 104 L N 1.980 123.192 121.223 -0.017 0.000 2.467 104 L HA 0.162 4.502 4.340 -0.001 0.000 0.270 104 L C -1.808 175.053 176.870 -0.015 0.000 1.205 104 L CA -1.719 53.112 54.840 -0.014 0.000 0.828 104 L CB -0.659 41.393 42.059 -0.012 0.000 1.101 104 L HN 0.256 nan 8.230 nan 0.000 0.479 105 P HA 0.016 nan 4.420 nan 0.000 0.261 105 P C 0.649 177.941 177.300 -0.013 0.000 1.183 105 P CA 0.975 64.066 63.100 -0.015 0.000 0.761 105 P CB 0.639 32.332 31.700 -0.013 0.000 0.785 106 G N 2.381 111.173 108.800 -0.014 0.000 2.241 106 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.244 106 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.244 106 G C 0.299 175.193 174.900 -0.011 0.000 0.998 106 G CA -0.424 44.669 45.100 -0.011 0.000 0.621 106 G HN 0.526 nan 8.290 nan 0.000 0.519 107 N N 1.026 119.718 118.700 -0.013 0.000 2.444 107 N HA 0.639 5.379 4.740 -0.001 0.000 0.271 107 N C 0.007 175.507 175.510 -0.016 0.000 1.069 107 N CA 0.828 53.870 53.050 -0.014 0.000 0.965 107 N CB 1.603 40.080 38.487 -0.017 0.000 1.092 107 N HN 0.387 nan 8.380 nan 0.000 0.476 108 T N -0.104 114.442 114.554 -0.013 0.000 2.787 108 T HA 0.862 5.212 4.350 -0.001 0.000 0.297 108 T C -1.861 172.832 174.700 -0.012 0.000 1.221 108 T CA -0.639 61.452 62.100 -0.015 0.000 1.006 108 T CB 1.192 70.053 68.868 -0.011 0.000 1.328 108 T HN 0.445 nan 8.240 nan 0.000 0.509 109 A N 0.519 123.329 122.820 -0.017 0.000 2.517 109 A HA 0.786 5.106 4.320 -0.001 0.000 0.297 109 A C 0.872 178.440 177.584 -0.025 0.000 1.050 109 A CA 0.092 52.118 52.037 -0.017 0.000 0.694 109 A CB 0.879 19.864 19.000 -0.025 0.000 1.277 109 A HN 1.287 nan 8.150 nan 0.000 0.400 110 A N 1.462 124.273 122.820 -0.015 0.000 1.940 110 A HA 0.156 4.475 4.320 -0.001 0.000 0.219 110 A C 2.223 179.767 177.584 -0.067 0.000 1.176 110 A CA 2.649 54.682 52.037 -0.005 0.000 0.631 110 A CB -0.795 18.215 19.000 0.016 0.000 0.814 110 A HN 2.121 nan 8.150 nan 0.000 0.446 111 A N -0.454 122.256 122.820 -0.184 0.000 2.070 111 A HA 0.010 4.330 4.320 -0.001 0.000 0.220 111 A C 1.984 179.441 177.584 -0.210 0.000 1.159 111 A CA 1.242 53.067 52.037 -0.353 0.000 0.656 111 A CB -0.585 18.064 19.000 -0.585 0.000 0.800 111 A HN 0.504 nan 8.150 nan 0.000 0.453 112 L N -1.026 120.125 121.223 -0.121 0.000 2.353 112 L HA -0.181 4.158 4.340 -0.001 0.000 0.220 112 L C 2.840 179.644 176.870 -0.110 0.000 1.133 112 L CA 0.689 55.473 54.840 -0.094 0.000 0.798 112 L CB -0.416 41.605 42.059 -0.064 0.000 0.922 112 L HN 0.459 nan 8.230 nan 0.000 0.445 113 A N -0.058 122.701 122.820 -0.101 0.000 2.121 113 A HA -0.089 4.231 4.320 -0.001 0.000 0.218 113 A C 2.109 179.571 177.584 -0.205 0.000 1.154 113 A CA 0.878 52.830 52.037 -0.142 0.000 0.679 113 A CB -0.478 18.517 19.000 -0.007 0.000 0.795 113 A HN 0.423 nan 8.150 nan 0.000 0.458 114 L N -0.934 120.176 121.223 -0.189 0.000 2.465 114 L HA -0.057 4.283 4.340 -0.001 0.000 0.224 114 L C 1.985 178.729 176.870 -0.211 0.000 1.145 114 L CA 0.420 55.107 54.840 -0.255 0.000 0.834 114 L CB -0.303 41.499 42.059 -0.429 0.000 0.944 114 L HN 0.412 nan 8.230 nan 0.000 0.451 115 L N -1.488 119.643 121.223 -0.153 0.000 2.349 115 L HA 0.392 4.731 4.340 -0.001 0.000 0.200 115 L C 1.073 177.875 176.870 -0.114 0.000 1.064 115 L CA 0.517 55.303 54.840 -0.088 0.000 0.821 115 L CB -0.063 41.967 42.059 -0.049 0.000 1.027 115 L HN 0.319 nan 8.230 nan 0.000 0.476 116 G N -0.529 108.180 108.800 -0.153 0.000 2.346 116 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.294 116 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.294 116 G C -0.406 174.410 174.900 -0.140 0.000 1.294 116 G CA -0.520 44.481 45.100 -0.164 0.000 0.962 116 G HN -0.106 nan 8.290 nan 0.000 0.508 117 E N -0.208 119.917 120.200 -0.125 0.000 2.400 117 E HA 0.110 4.460 4.350 -0.001 0.000 0.195 117 E C 1.107 177.655 176.600 -0.086 0.000 1.012 117 E CA 0.632 56.970 56.400 -0.103 0.000 0.875 117 E CB 0.057 29.698 29.700 -0.097 0.000 0.859 117 E HN 0.452 nan 8.360 nan 0.000 0.498 118 T N 4.278 118.786 114.554 -0.078 0.000 2.866 118 T HA 0.058 4.408 4.350 -0.001 0.000 0.293 118 T C -2.355 172.269 174.700 -0.126 0.000 1.005 118 T CA -0.686 61.363 62.100 -0.086 0.000 1.162 118 T CB 0.421 69.258 68.868 -0.051 0.000 0.968 118 T HN -0.078 nan 8.240 nan 0.000 0.530 119 P HA 0.098 nan 4.420 nan 0.000 0.264 119 P C 0.117 177.253 177.300 -0.274 0.000 1.193 119 P CA -0.147 62.847 63.100 -0.177 0.000 0.763 119 P CB 0.359 31.958 31.700 -0.168 0.000 0.810 120 L N 3.028 124.136 121.223 -0.192 0.000 2.482 120 L HA 0.136 4.476 4.340 -0.001 0.000 0.273 120 L C 0.723 177.451 176.870 -0.237 0.000 1.228 120 L CA 0.007 54.744 54.840 -0.172 0.000 0.827 120 L CB -0.120 41.898 42.059 -0.068 0.000 1.099 120 L HN 0.283 nan 8.230 nan 0.000 0.494 121 F N 0.003 119.933 119.950 -0.034 0.000 2.389 121 F HA 0.212 4.739 4.527 -0.000 0.000 0.337 121 F C 1.248 177.040 175.800 -0.012 0.000 1.112 121 F CA 0.142 58.145 58.000 0.004 0.000 1.192 121 F CB 1.063 40.095 39.000 0.053 0.000 1.185 121 F HN 0.579 nan 8.300 nan 0.000 0.552 122 A N 1.301 124.230 122.820 0.182 0.000 1.892 122 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 122 A C 0.241 177.871 177.584 0.077 0.000 1.188 122 A CA 2.267 54.360 52.037 0.094 0.000 0.631 122 A CB -0.813 18.236 19.000 0.083 0.000 0.822 122 A HN 0.839 nan 8.150 nan 0.000 0.447 123 D N -5.174 115.282 120.400 0.092 0.000 2.677 123 D HA 0.381 5.021 4.640 -0.001 0.000 0.298 123 D C 0.380 176.672 176.300 -0.013 0.000 1.250 123 D CA -0.102 53.913 54.000 0.026 0.000 0.888 123 D CB 0.613 41.417 40.800 0.006 0.000 1.397 123 D HN -0.127 nan 8.370 nan 0.000 0.461 124 V N -0.211 119.634 119.914 -0.114 0.000 2.343 124 V HA -0.078 4.042 4.120 -0.001 0.000 0.247 124 V C -1.051 174.835 176.094 -0.347 0.000 1.051 124 V CA 1.933 64.043 62.300 -0.318 0.000 1.036 124 V CB -1.487 30.063 31.823 -0.456 0.000 0.654 124 V HN 0.548 nan 8.190 nan 0.000 0.451 125 P HA -0.165 nan 4.420 nan 0.000 0.215 125 P C 1.719 179.012 177.300 -0.011 0.000 1.153 125 P CA 2.048 65.112 63.100 -0.060 0.000 0.853 125 P CB -0.125 31.568 31.700 -0.012 0.000 0.788 126 A N -1.510 121.320 122.820 0.016 0.000 1.898 126 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 126 A C 2.282 179.837 177.584 -0.048 0.000 1.181 126 A CA 1.410 53.491 52.037 0.074 0.000 0.620 126 A CB -1.901 17.216 19.000 0.196 0.000 0.819 126 A HN 0.135 nan 8.150 nan 0.000 0.442 127 Y N -0.213 119.872 120.300 -0.358 0.000 2.114 127 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 127 Y C 1.948 177.681 175.900 -0.278 0.000 1.143 127 Y CA 1.385 59.031 58.100 -0.757 0.000 1.135 127 Y CB -0.647 37.508 38.460 -0.507 0.000 0.980 127 Y HN 0.284 nan 8.280 nan 0.000 0.499 128 F N 0.015 119.759 119.950 -0.344 0.000 2.216 128 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 128 F C 2.654 178.283 175.800 -0.285 0.000 1.085 128 F CA 0.733 58.508 58.000 -0.374 0.000 1.326 128 F CB -1.631 37.250 39.000 -0.199 0.000 1.027 128 F HN 0.188 nan 8.300 nan 0.000 0.497 129 A N -0.030 122.793 122.820 0.005 0.000 1.930 129 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 129 A C 2.491 180.041 177.584 -0.057 0.000 1.175 129 A CA 1.655 53.682 52.037 -0.017 0.000 0.627 129 A CB -1.068 17.943 19.000 0.018 0.000 0.815 129 A HN 0.259 nan 8.150 nan 0.000 0.443 130 A N -0.258 122.500 122.820 -0.102 0.000 1.930 130 A HA 0.008 4.328 4.320 -0.001 0.000 0.217 130 A C 2.141 179.654 177.584 -0.118 0.000 1.175 130 A CA 1.395 53.392 52.037 -0.065 0.000 0.627 130 A CB -0.535 18.423 19.000 -0.070 0.000 0.815 130 A HN 0.464 nan 8.150 nan 0.000 0.443 131 L N -0.520 120.550 121.223 -0.255 0.000 2.093 131 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 131 L C 1.949 178.676 176.870 -0.238 0.000 1.085 131 L CA 1.236 55.895 54.840 -0.301 0.000 0.755 131 L CB -0.612 41.137 42.059 -0.517 0.000 0.904 131 L HN 0.317 nan 8.230 nan 0.000 0.435 132 D N 0.346 120.625 120.400 -0.202 0.000 2.144 132 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 132 D C 2.188 178.422 176.300 -0.109 0.000 0.984 132 D CA 1.504 55.407 54.000 -0.162 0.000 0.834 132 D CB 0.105 40.832 40.800 -0.122 0.000 0.955 132 D HN 0.323 nan 8.370 nan 0.000 0.465 133 A N 0.068 122.843 122.820 -0.076 0.000 1.968 133 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 133 A C 1.492 179.054 177.584 -0.036 0.000 1.169 133 A CA 0.732 52.745 52.037 -0.041 0.000 0.638 133 A CB -0.114 18.880 19.000 -0.010 0.000 0.812 133 A HN 0.178 nan 8.150 nan 0.000 0.446 134 Q N 0.834 120.607 119.800 -0.045 0.000 2.907 134 Q HA 0.204 4.543 4.340 -0.001 0.000 0.262 134 Q C -0.982 174.976 176.000 -0.070 0.000 0.997 134 Q CA -0.800 54.986 55.803 -0.028 0.000 0.797 134 Q CB 0.360 29.110 28.738 0.020 0.000 1.228 134 Q HN 0.278 nan 8.270 nan 0.000 0.466 135 R N 2.677 123.116 120.500 -0.102 0.000 2.523 135 R HA 0.069 4.409 4.340 -0.001 0.000 0.281 135 R C -2.246 173.966 176.300 -0.146 0.000 0.969 135 R CA -1.005 55.000 56.100 -0.157 0.000 1.093 135 R CB -0.302 29.908 30.300 -0.151 0.000 0.917 135 R HN 0.511 nan 8.270 nan 0.000 0.408 136 P HA 0.021 nan 4.420 nan 0.000 0.274 136 P C 0.465 177.673 177.300 -0.153 0.000 1.237 136 P CA -0.399 62.583 63.100 -0.196 0.000 0.793 136 P CB 0.639 32.008 31.700 -0.552 0.000 0.977 137 M N 2.185 121.741 119.600 -0.073 0.000 2.159 137 M HA -0.018 4.462 4.480 -0.001 0.000 0.263 137 M C 0.896 177.102 176.300 -0.156 0.000 1.063 137 M CA 1.632 56.869 55.300 -0.105 0.000 1.110 137 M CB -0.784 31.752 32.600 -0.107 0.000 1.374 137 M HN 0.430 nan 8.290 nan 0.000 0.411 138 I N -3.337 117.126 120.570 -0.178 0.000 3.206 138 I HA 0.459 4.629 4.170 -0.001 0.000 0.313 138 I C -0.765 175.167 176.117 -0.309 0.000 1.103 138 I CA -1.300 59.865 61.300 -0.226 0.000 0.985 138 I CB 1.540 39.415 38.000 -0.209 0.000 1.240 138 I HN -0.079 nan 8.210 nan 0.000 0.464 139 N N 0.754 119.249 118.700 -0.342 0.000 2.508 139 N HA 0.452 5.192 4.740 -0.001 0.000 0.264 139 N C -1.154 174.098 175.510 -0.430 0.000 1.216 139 N CA -0.328 52.464 53.050 -0.430 0.000 0.943 139 N CB 1.467 39.671 38.487 -0.472 0.000 1.113 139 N HN 0.351 nan 8.380 nan 0.000 0.447 140 V N 0.818 120.431 119.914 -0.501 0.000 2.525 140 V HA 0.702 4.821 4.120 -0.001 0.000 0.299 140 V C -0.436 175.447 176.094 -0.351 0.000 1.034 140 V CA -0.828 61.208 62.300 -0.441 0.000 0.863 140 V CB 1.295 32.703 31.823 -0.692 0.000 0.999 140 V HN 0.794 nan 8.190 nan 0.000 0.423 141 A N 3.720 126.437 122.820 -0.171 0.000 2.337 141 A HA 1.011 5.331 4.320 -0.001 0.000 0.329 141 A C -0.190 177.487 177.584 0.154 0.000 1.146 141 A CA -0.298 51.743 52.037 0.007 0.000 0.800 141 A CB 1.688 20.804 19.000 0.194 0.000 1.220 141 A HN 1.459 nan 8.150 nan 0.000 0.472 142 A N 1.747 124.748 122.820 0.301 0.000 2.414 142 A HA 0.737 5.056 4.320 -0.001 0.000 0.306 142 A C -0.901 176.870 177.584 0.312 0.000 1.054 142 A CA -0.415 51.840 52.037 0.363 0.000 0.724 142 A CB 0.850 20.201 19.000 0.586 0.000 1.267 142 A HN 0.798 nan 8.150 nan 0.000 0.418 143 L N 1.505 122.874 121.223 0.243 0.000 2.334 143 L HA 0.666 5.005 4.340 -0.001 0.000 0.272 143 L C -0.038 176.946 176.870 0.190 0.000 1.020 143 L CA -1.013 53.959 54.840 0.221 0.000 0.812 143 L CB 1.839 44.014 42.059 0.193 0.000 1.264 143 L HN 0.507 nan 8.230 nan 0.000 0.439 144 V N 1.396 121.432 119.914 0.204 0.000 2.427 144 V HA 0.639 4.759 4.120 -0.001 0.000 0.286 144 V C 0.387 176.616 176.094 0.224 0.000 1.034 144 V CA -0.286 62.114 62.300 0.166 0.000 0.893 144 V CB 1.436 33.340 31.823 0.136 0.000 0.982 144 V HN 0.773 nan 8.190 nan 0.000 0.452 145 G N 3.668 112.573 108.800 0.175 0.000 2.380 145 G HA2 0.204 4.163 3.960 -0.001 0.000 0.262 145 G HA3 0.204 4.163 3.960 -0.001 0.000 0.262 145 G C 0.466 175.510 174.900 0.239 0.000 1.243 145 G CA 0.269 45.496 45.100 0.213 0.000 0.865 145 G HN 1.131 nan 8.290 nan 0.000 0.513 146 H N 2.577 121.784 119.070 0.228 0.000 2.421 146 H HA -0.081 4.475 4.556 -0.001 0.000 0.298 146 H C 2.394 177.794 175.328 0.119 0.000 1.087 146 H CA 2.263 58.426 56.048 0.192 0.000 1.330 146 H CB 0.138 30.058 29.762 0.265 0.000 1.388 146 H HN 0.485 nan 8.280 nan 0.000 0.526 147 A N 0.675 123.486 122.820 -0.015 0.000 1.902 147 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 147 A C 2.344 179.881 177.584 -0.078 0.000 1.181 147 A CA 1.582 53.559 52.037 -0.101 0.000 0.623 147 A CB -0.578 18.427 19.000 0.008 0.000 0.818 147 A HN 0.658 nan 8.150 nan 0.000 0.443 148 N N 0.034 118.728 118.700 -0.011 0.000 2.104 148 N HA -0.133 4.607 4.740 -0.001 0.000 0.190 148 N C 1.780 177.276 175.510 -0.023 0.000 1.024 148 N CA 1.611 54.656 53.050 -0.009 0.000 0.853 148 N CB -0.337 38.160 38.487 0.017 0.000 1.008 148 N HN 0.471 nan 8.380 nan 0.000 0.424 149 L N 1.039 122.254 121.223 -0.014 0.000 2.012 149 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 149 L C 2.689 179.527 176.870 -0.053 0.000 1.073 149 L CA 1.228 56.059 54.840 -0.015 0.000 0.748 149 L CB -0.408 41.670 42.059 0.032 0.000 0.891 149 L HN 0.138 nan 8.230 nan 0.000 0.431 150 R N 0.086 120.509 120.500 -0.129 0.000 2.073 150 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 150 R C 2.291 178.549 176.300 -0.071 0.000 1.134 150 R CA 1.267 57.293 56.100 -0.122 0.000 0.952 150 R CB -0.350 29.820 30.300 -0.217 0.000 0.850 150 R HN 0.341 nan 8.270 nan 0.000 0.433 151 L N -0.305 120.877 121.223 -0.068 0.000 2.275 151 L HA -0.087 4.252 4.340 -0.001 0.000 0.215 151 L C 2.357 179.210 176.870 -0.029 0.000 1.119 151 L CA 0.886 55.701 54.840 -0.042 0.000 0.790 151 L CB -0.295 41.741 42.059 -0.038 0.000 0.919 151 L HN 0.233 nan 8.230 nan 0.000 0.443 152 A N -0.630 122.174 122.820 -0.028 0.000 2.044 152 A HA 0.278 4.598 4.320 -0.001 0.000 0.213 152 A C 2.268 179.842 177.584 -0.016 0.000 1.169 152 A CA 0.987 53.013 52.037 -0.018 0.000 0.724 152 A CB -0.133 18.859 19.000 -0.013 0.000 0.840 152 A HN 0.308 nan 8.150 nan 0.000 0.463 153 A N -1.193 121.615 122.820 -0.019 0.000 2.197 153 A HA 0.540 4.859 4.320 -0.001 0.000 0.210 153 A C 0.795 178.372 177.584 -0.013 0.000 1.180 153 A CA 0.080 52.108 52.037 -0.014 0.000 0.846 153 A CB -0.061 18.931 19.000 -0.014 0.000 0.884 153 A HN 0.419 nan 8.150 nan 0.000 0.487 154 M N -0.217 119.374 119.600 -0.016 0.000 2.167 154 M HA 0.331 4.811 4.480 -0.001 0.000 0.333 154 M C 0.910 177.203 176.300 -0.011 0.000 1.030 154 M CA -0.460 54.833 55.300 -0.012 0.000 0.963 154 M CB 1.909 34.501 32.600 -0.013 0.000 1.589 154 M HN 0.354 nan 8.290 nan 0.000 0.431 155 R N 1.456 121.951 120.500 -0.007 0.000 2.127 155 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 155 R C -0.092 176.206 176.300 -0.005 0.000 1.134 155 R CA 1.624 57.721 56.100 -0.006 0.000 0.975 155 R CB 0.258 30.556 30.300 -0.004 0.000 0.865 155 R HN 0.659 nan 8.270 nan 0.000 0.447 156 D N -0.201 120.197 120.400 -0.004 0.000 2.404 156 D HA 0.161 4.801 4.640 -0.001 0.000 0.267 156 D C -1.999 174.300 176.300 -0.002 0.000 1.194 156 D CA -2.476 51.523 54.000 -0.001 0.000 0.910 156 D CB 1.739 42.540 40.800 0.002 0.000 1.090 156 D HN 0.036 nan 8.370 nan 0.000 0.511 157 P HA -0.086 nan 4.420 nan 0.000 0.236 157 P C 0.531 177.830 177.300 -0.002 0.000 1.172 157 P CA 0.530 63.623 63.100 -0.012 0.000 0.759 157 P CB 0.518 32.206 31.700 -0.021 0.000 0.843 158 Q N -1.110 118.693 119.800 0.006 0.000 2.282 158 Q HA 0.295 4.635 4.340 -0.001 0.000 0.206 158 Q C 1.059 177.069 176.000 0.017 0.000 0.878 158 Q CA -0.110 55.701 55.803 0.014 0.000 0.944 158 Q CB 0.654 29.400 28.738 0.014 0.000 1.100 158 Q HN 0.217 nan 8.270 nan 0.000 0.509 159 A N 0.556 123.384 122.820 0.013 0.000 2.263 159 A HA 0.793 5.113 4.320 -0.001 0.000 0.318 159 A C -0.412 177.184 177.584 0.019 0.000 1.111 159 A CA -0.211 51.835 52.037 0.015 0.000 0.901 159 A CB 0.501 19.507 19.000 0.011 0.000 1.280 159 A HN 0.170 nan 8.150 nan 0.000 0.503 160 A N 1.073 123.905 122.820 0.019 0.000 2.363 160 A HA 0.625 4.945 4.320 -0.001 0.000 0.270 160 A C -2.199 175.396 177.584 0.018 0.000 1.121 160 A CA -1.376 50.674 52.037 0.022 0.000 0.800 160 A CB -0.422 18.589 19.000 0.019 0.000 1.052 160 A HN 0.615 nan 8.150 nan 0.000 0.493 161 P HA 0.198 nan 4.420 nan 0.000 0.275 161 P C 0.219 177.524 177.300 0.009 0.000 1.227 161 P CA 0.058 63.167 63.100 0.014 0.000 0.781 161 P CB 0.731 32.443 31.700 0.020 0.000 0.906 162 T N -1.180 113.377 114.554 0.005 0.000 2.788 162 T HA 0.364 4.714 4.350 -0.001 0.000 0.287 162 T C 1.573 176.273 174.700 0.000 0.000 1.007 162 T CA -0.059 62.043 62.100 0.003 0.000 1.005 162 T CB 0.404 69.273 68.868 0.001 0.000 1.012 162 T HN 0.393 nan 8.240 nan 0.000 0.530 163 A N 0.840 123.659 122.820 -0.001 0.000 1.940 163 A HA 0.127 4.447 4.320 -0.001 0.000 0.219 163 A C 2.635 180.216 177.584 -0.005 0.000 1.176 163 A CA 1.932 53.967 52.037 -0.004 0.000 0.631 163 A CB -1.572 17.426 19.000 -0.004 0.000 0.814 163 A HN 1.227 nan 8.150 nan 0.000 0.446 164 A N -0.287 122.530 122.820 -0.004 0.000 1.930 164 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 164 A C 1.914 179.495 177.584 -0.006 0.000 1.175 164 A CA 1.586 53.620 52.037 -0.005 0.000 0.627 164 A CB -0.470 18.527 19.000 -0.004 0.000 0.815 164 A HN 0.642 nan 8.150 nan 0.000 0.443 165 E N -0.971 119.226 120.200 -0.005 0.000 2.106 165 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 165 E C 2.212 178.809 176.600 -0.006 0.000 0.984 165 E CA 1.253 57.650 56.400 -0.005 0.000 0.806 165 E CB -0.116 29.583 29.700 -0.001 0.000 0.750 165 E HN 0.684 nan 8.360 nan 0.000 0.458 166 Q N 1.157 120.953 119.800 -0.006 0.000 2.084 166 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 166 Q C 2.055 178.041 176.000 -0.023 0.000 0.978 166 Q CA 1.721 57.517 55.803 -0.011 0.000 0.844 166 Q CB -0.125 28.606 28.738 -0.011 0.000 0.898 166 Q HN 0.064 nan 8.270 nan 0.000 0.426 167 Q N -0.491 119.297 119.800 -0.019 0.000 2.167 167 Q HA 0.026 4.365 4.340 -0.001 0.000 0.202 167 Q C 1.792 177.778 176.000 -0.023 0.000 0.970 167 Q CA 1.732 57.522 55.803 -0.023 0.000 0.855 167 Q CB -0.608 28.120 28.738 -0.016 0.000 0.911 167 Q HN 0.466 nan 8.270 nan 0.000 0.438 168 A N -0.023 122.786 122.820 -0.018 0.000 1.902 168 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 168 A C 2.089 179.660 177.584 -0.021 0.000 1.181 168 A CA 1.664 53.692 52.037 -0.016 0.000 0.623 168 A CB -0.515 18.478 19.000 -0.012 0.000 0.818 168 A HN 0.484 nan 8.150 nan 0.000 0.443 169 M N -1.092 118.494 119.600 -0.024 0.000 2.175 169 M HA -0.204 4.276 4.480 -0.001 0.000 0.264 169 M C 2.423 178.688 176.300 -0.058 0.000 1.063 169 M CA 1.538 56.820 55.300 -0.030 0.000 1.119 169 M CB -0.435 32.157 32.600 -0.014 0.000 1.377 169 M HN 0.499 nan 8.290 nan 0.000 0.415 170 Q N 0.244 120.005 119.800 -0.066 0.000 2.119 170 Q HA -0.168 4.171 4.340 -0.001 0.000 0.201 170 Q C 1.536 177.501 176.000 -0.059 0.000 0.972 170 Q CA 1.147 56.898 55.803 -0.086 0.000 0.847 170 Q CB -0.031 28.661 28.738 -0.077 0.000 0.903 170 Q HN 0.464 nan 8.270 nan 0.000 0.433 171 D N 0.204 120.581 120.400 -0.038 0.000 2.144 171 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 171 D C 1.807 178.094 176.300 -0.022 0.000 0.978 171 D CA 1.118 55.103 54.000 -0.025 0.000 0.833 171 D CB -0.054 40.736 40.800 -0.017 0.000 0.961 171 D HN 0.274 nan 8.370 nan 0.000 0.470 172 M N -0.103 119.482 119.600 -0.024 0.000 2.132 172 M HA -0.118 4.362 4.480 -0.001 0.000 0.263 172 M C 2.122 178.412 176.300 -0.018 0.000 1.065 172 M CA 0.759 56.048 55.300 -0.017 0.000 1.122 172 M CB -0.127 32.465 32.600 -0.015 0.000 1.365 172 M HN 0.033 nan 8.290 nan 0.000 0.411 173 L N 0.628 121.830 121.223 -0.035 0.000 2.056 173 L HA -0.199 4.141 4.340 -0.001 0.000 0.207 173 L C 2.394 179.257 176.870 -0.012 0.000 1.078 173 L CA 1.936 56.756 54.840 -0.034 0.000 0.749 173 L CB -0.932 41.057 42.059 -0.116 0.000 0.901 173 L HN 0.336 nan 8.230 nan 0.000 0.433 174 Q N -0.698 119.089 119.800 -0.021 0.000 2.096 174 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 174 Q C 2.123 178.127 176.000 0.008 0.000 0.982 174 Q CA 1.964 57.765 55.803 -0.004 0.000 0.850 174 Q CB -0.219 28.513 28.738 -0.009 0.000 0.901 174 Q HN 0.674 nan 8.270 nan 0.000 0.422 175 A N 0.587 123.407 122.820 0.000 0.000 1.902 175 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 175 A C 2.249 179.832 177.584 -0.002 0.000 1.181 175 A CA 1.651 53.688 52.037 0.001 0.000 0.623 175 A CB -0.902 18.095 19.000 -0.005 0.000 0.818 175 A HN 0.557 nan 8.150 nan 0.000 0.443 176 A N -0.138 122.679 122.820 -0.005 0.000 1.877 176 A HA -0.031 4.289 4.320 -0.001 0.000 0.216 176 A C 2.157 179.758 177.584 0.027 0.000 1.186 176 A CA 1.475 53.502 52.037 -0.016 0.000 0.620 176 A CB -0.605 18.396 19.000 0.002 0.000 0.822 176 A HN 0.473 nan 8.150 nan 0.000 0.443 177 L N -0.678 120.578 121.223 0.056 0.000 2.083 177 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 177 L C 2.500 179.420 176.870 0.083 0.000 1.083 177 L CA 1.588 56.480 54.840 0.087 0.000 0.752 177 L CB -0.724 41.384 42.059 0.081 0.000 0.899 177 L HN 0.484 nan 8.230 nan 0.000 0.433 178 E N 0.378 120.612 120.200 0.057 0.000 2.204 178 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 178 E C 2.180 178.823 176.600 0.073 0.000 0.989 178 E CA 1.001 57.435 56.400 0.057 0.000 0.824 178 E CB -0.102 29.620 29.700 0.037 0.000 0.756 178 E HN 0.489 nan 8.360 nan 0.000 0.477 179 A N 0.202 123.062 122.820 0.066 0.000 2.119 179 A HA 0.181 4.501 4.320 -0.001 0.000 0.216 179 A C 1.809 179.535 177.584 0.238 0.000 1.152 179 A CA 1.117 53.207 52.037 0.089 0.000 0.708 179 A CB 0.018 19.000 19.000 -0.031 0.000 0.805 179 A HN 0.365 nan 8.150 nan 0.000 0.460 180 G N -2.679 106.267 108.800 0.243 0.000 2.227 180 G HA2 0.241 4.201 3.960 -0.001 0.000 0.168 180 G HA3 0.241 4.201 3.960 -0.001 0.000 0.168 180 G C 0.373 175.514 174.900 0.401 0.000 1.006 180 G CA 0.012 45.323 45.100 0.351 0.000 0.684 180 G HN 1.362 nan 8.290 nan 0.000 0.489 181 A N 0.558 123.564 122.820 0.310 0.000 2.483 181 A HA 0.579 4.898 4.320 -0.001 0.000 0.238 181 A C 1.818 179.556 177.584 0.257 0.000 1.070 181 A CA 0.749 52.962 52.037 0.294 0.000 0.770 181 A CB 0.605 19.710 19.000 0.174 0.000 1.008 181 A HN 1.546 nan 8.150 nan 0.000 0.497 182 V N 0.400 120.482 119.914 0.280 0.000 3.623 182 V HA 0.540 4.659 4.120 -0.001 0.000 0.271 182 V C 0.925 177.142 176.094 0.205 0.000 1.248 182 V CA 0.918 63.369 62.300 0.251 0.000 1.156 182 V CB -1.547 30.479 31.823 0.337 0.000 0.870 182 V HN 2.010 nan 8.190 nan 0.000 0.453 183 G N 0.503 109.437 108.800 0.223 0.000 2.350 183 G HA2 0.352 4.311 3.960 -0.001 0.000 0.276 183 G HA3 0.352 4.311 3.960 -0.001 0.000 0.276 183 G C -1.239 173.851 174.900 0.316 0.000 1.313 183 G CA -0.387 44.855 45.100 0.238 0.000 0.903 183 G HN 0.915 nan 8.290 nan 0.000 0.490 184 F N 0.106 120.137 119.950 0.135 0.000 2.593 184 F HA 0.903 5.430 4.527 -0.001 0.000 0.320 184 F C 0.050 175.978 175.800 0.213 0.000 1.060 184 F CA -0.497 57.591 58.000 0.147 0.000 0.940 184 F CB 2.275 41.336 39.000 0.102 0.000 1.268 184 F HN 0.955 nan 8.300 nan 0.000 0.475 185 S N 0.576 116.383 115.700 0.178 0.000 2.566 185 S HA 0.871 5.341 4.470 -0.001 0.000 0.298 185 S C -0.760 174.007 174.600 0.277 0.000 1.083 185 S CA -0.251 58.014 58.200 0.107 0.000 0.978 185 S CB 1.602 64.887 63.200 0.142 0.000 1.073 185 S HN 1.073 nan 8.310 nan 0.000 0.491 186 T N -1.903 112.808 114.554 0.261 0.000 2.908 186 T HA 0.790 5.140 4.350 -0.001 0.000 0.290 186 T C 0.074 174.962 174.700 0.313 0.000 1.034 186 T CA -0.766 61.543 62.100 0.348 0.000 1.010 186 T CB 1.505 70.583 68.868 0.350 0.000 1.068 186 T HN 1.197 nan 8.240 nan 0.000 0.481 187 G N 1.469 110.461 108.800 0.319 0.000 4.465 187 G HA2 0.456 4.416 3.960 -0.001 0.000 0.330 187 G HA3 0.456 4.416 3.960 -0.001 0.000 0.330 187 G C 0.599 175.577 174.900 0.130 0.000 1.475 187 G CA -0.694 44.546 45.100 0.234 0.000 0.955 187 G HN 0.787 nan 8.290 nan 0.000 0.516 188 L N 0.629 121.922 121.223 0.116 0.000 2.456 188 L HA -0.034 4.306 4.340 -0.001 0.000 0.224 188 L C 2.615 179.479 176.870 -0.010 0.000 1.148 188 L CA 1.124 56.019 54.840 0.093 0.000 0.825 188 L CB 0.040 42.167 42.059 0.113 0.000 0.937 188 L HN 0.513 nan 8.230 nan 0.000 0.450 189 A N -1.543 121.155 122.820 -0.204 0.000 2.238 189 A HA 0.116 4.436 4.320 -0.001 0.000 0.210 189 A C 0.168 177.538 177.584 -0.357 0.000 1.179 189 A CA 0.243 52.091 52.037 -0.315 0.000 0.827 189 A CB -0.078 18.666 19.000 -0.427 0.000 0.856 189 A HN 0.234 nan 8.150 nan 0.000 0.488 190 Y N -0.869 119.408 120.300 -0.038 0.000 2.587 190 Y HA 0.545 5.095 4.550 -0.001 0.000 0.337 190 Y C 0.246 176.153 175.900 0.012 0.000 1.065 190 Y CA -1.628 56.459 58.100 -0.023 0.000 1.126 190 Y CB 0.746 39.177 38.460 -0.048 0.000 1.279 190 Y HN 0.046 nan 8.280 nan 0.000 0.489 191 Q N 3.143 123.063 119.800 0.201 0.000 2.259 191 Q HA 0.255 4.595 4.340 -0.001 0.000 0.246 191 Q C -1.859 174.190 176.000 0.082 0.000 0.920 191 Q CA -1.849 54.019 55.803 0.108 0.000 0.895 191 Q CB 1.280 30.063 28.738 0.075 0.000 1.220 191 Q HN 0.439 nan 8.270 nan 0.000 0.439 192 P HA 0.062 nan 4.420 nan 0.000 0.261 192 P C 0.906 178.231 177.300 0.043 0.000 1.268 192 P CA 0.319 63.435 63.100 0.026 0.000 0.833 192 P CB 0.371 32.062 31.700 -0.015 0.000 1.231 193 G N 1.675 110.519 108.800 0.074 0.000 2.475 193 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.220 193 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.220 193 G C 1.694 176.723 174.900 0.216 0.000 1.125 193 G CA 0.901 46.121 45.100 0.200 0.000 0.755 193 G HN 0.347 nan 8.290 nan 0.000 0.565 194 A N 0.064 122.969 122.820 0.141 0.000 2.076 194 A HA 0.074 4.394 4.320 -0.001 0.000 0.220 194 A C 2.487 180.127 177.584 0.093 0.000 1.160 194 A CA 1.691 53.790 52.037 0.103 0.000 0.653 194 A CB -0.353 18.691 19.000 0.072 0.000 0.801 194 A HN 0.300 nan 8.150 nan 0.000 0.455 195 V N -0.186 119.785 119.914 0.094 0.000 2.809 195 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 195 V C 1.703 177.851 176.094 0.089 0.000 1.080 195 V CA 0.563 62.908 62.300 0.076 0.000 1.102 195 V CB -1.447 30.411 31.823 0.059 0.000 0.705 195 V HN 0.618 nan 8.190 nan 0.000 0.475 196 A N 0.369 123.272 122.820 0.139 0.000 2.498 196 A HA 0.280 4.600 4.320 -0.001 0.000 0.239 196 A C 0.299 177.930 177.584 0.079 0.000 1.068 196 A CA 0.224 52.344 52.037 0.138 0.000 0.766 196 A CB 0.097 19.237 19.000 0.233 0.000 1.003 196 A HN 0.567 nan 8.150 nan 0.000 0.497 197 Q N 0.319 120.150 119.800 0.053 0.000 2.333 197 Q HA 0.561 4.901 4.340 -0.001 0.000 0.266 197 Q C 1.414 177.425 176.000 0.018 0.000 1.053 197 Q CA -0.384 55.439 55.803 0.034 0.000 0.890 197 Q CB 1.620 30.374 28.738 0.028 0.000 1.337 197 Q HN 0.841 nan 8.270 nan 0.000 0.474 198 A N 0.754 123.583 122.820 0.015 0.000 1.884 198 A HA -0.291 4.028 4.320 -0.001 0.000 0.219 198 A C 2.070 179.651 177.584 -0.005 0.000 1.197 198 A CA 2.573 54.614 52.037 0.007 0.000 0.637 198 A CB -1.304 17.702 19.000 0.011 0.000 0.827 198 A HN 0.833 nan 8.150 nan 0.000 0.450 199 A N -0.668 122.150 122.820 -0.003 0.000 1.917 199 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 199 A C 2.064 179.634 177.584 -0.024 0.000 1.182 199 A CA 2.076 54.106 52.037 -0.011 0.000 0.633 199 A CB -0.599 18.398 19.000 -0.004 0.000 0.819 199 A HN 0.743 nan 8.150 nan 0.000 0.448 200 E N -0.173 120.016 120.200 -0.018 0.000 2.047 200 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 200 E C 1.948 178.494 176.600 -0.090 0.000 0.987 200 E CA 1.210 57.593 56.400 -0.029 0.000 0.799 200 E CB -0.218 29.493 29.700 0.019 0.000 0.752 200 E HN 0.640 nan 8.360 nan 0.000 0.449 201 L N 0.544 121.706 121.223 -0.100 0.000 2.093 201 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 201 L C 2.414 179.215 176.870 -0.116 0.000 1.085 201 L CA 1.204 55.953 54.840 -0.152 0.000 0.755 201 L CB -0.411 41.584 42.059 -0.108 0.000 0.904 201 L HN 0.157 nan 8.230 nan 0.000 0.435 202 E N 0.351 120.512 120.200 -0.066 0.000 2.106 202 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 202 E C 2.277 178.838 176.600 -0.065 0.000 0.984 202 E CA 0.972 57.347 56.400 -0.042 0.000 0.806 202 E CB -0.293 29.395 29.700 -0.020 0.000 0.750 202 E HN 0.549 nan 8.360 nan 0.000 0.458 203 G N 1.472 110.221 108.800 -0.085 0.000 2.446 203 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 203 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 203 G C 1.585 176.391 174.900 -0.156 0.000 1.168 203 G CA 0.554 45.597 45.100 -0.095 0.000 0.771 203 G HN 0.086 nan 8.290 nan 0.000 0.551 204 L N 0.591 121.652 121.223 -0.271 0.000 2.093 204 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 204 L C 3.392 180.014 176.870 -0.414 0.000 1.085 204 L CA 0.875 55.403 54.840 -0.519 0.000 0.755 204 L CB -0.391 41.066 42.059 -1.002 0.000 0.904 204 L HN 0.301 nan 8.230 nan 0.000 0.435 205 A N 0.109 122.833 122.820 -0.161 0.000 1.933 205 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 205 A C 2.400 180.012 177.584 0.047 0.000 1.175 205 A CA 1.333 53.430 52.037 0.100 0.000 0.628 205 A CB -0.429 18.630 19.000 0.098 0.000 0.814 205 A HN 0.315 nan 8.150 nan 0.000 0.444 206 R N -0.697 119.794 120.500 -0.015 0.000 2.092 206 R HA -0.073 4.267 4.340 -0.001 0.000 0.231 206 R C 2.023 178.318 176.300 -0.008 0.000 1.119 206 R CA 1.425 57.520 56.100 -0.008 0.000 0.970 206 R CB -0.539 29.748 30.300 -0.021 0.000 0.864 206 R HN 0.415 nan 8.270 nan 0.000 0.440 207 V N 1.000 120.890 119.914 -0.040 0.000 2.343 207 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 207 V C 2.455 178.556 176.094 0.012 0.000 1.051 207 V CA 1.997 64.277 62.300 -0.033 0.000 1.036 207 V CB -0.664 31.111 31.823 -0.081 0.000 0.654 207 V HN 0.384 nan 8.190 nan 0.000 0.451 208 A N -0.002 122.848 122.820 0.049 0.000 1.873 208 A HA -0.042 4.278 4.320 -0.001 0.000 0.215 208 A C 2.441 180.080 177.584 0.092 0.000 1.186 208 A CA 1.879 53.993 52.037 0.129 0.000 0.616 208 A CB -0.839 18.343 19.000 0.305 0.000 0.823 208 A HN 0.547 nan 8.150 nan 0.000 0.442 209 A N -0.127 122.740 122.820 0.078 0.000 1.908 209 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 209 A C 1.942 179.546 177.584 0.033 0.000 1.181 209 A CA 2.246 54.313 52.037 0.050 0.000 0.627 209 A CB -0.526 18.499 19.000 0.042 0.000 0.818 209 A HN 0.550 nan 8.150 nan 0.000 0.445 210 E N 0.179 120.396 120.200 0.028 0.000 2.204 210 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 210 E C 1.666 178.281 176.600 0.025 0.000 0.990 210 E CA 1.285 57.698 56.400 0.021 0.000 0.821 210 E CB -0.167 29.541 29.700 0.014 0.000 0.750 210 E HN 0.619 nan 8.360 nan 0.000 0.477 211 R N -0.310 120.211 120.500 0.034 0.000 2.507 211 R HA 0.338 4.678 4.340 -0.001 0.000 0.298 211 R C -0.233 176.091 176.300 0.040 0.000 0.999 211 R CA -0.003 56.120 56.100 0.039 0.000 1.082 211 R CB 0.224 30.553 30.300 0.048 0.000 1.246 211 R HN 0.006 nan 8.270 nan 0.000 0.553 212 R N 1.346 121.865 120.500 0.032 0.000 3.336 212 R HA -0.168 4.171 4.340 -0.001 0.000 0.260 212 R C -0.481 175.832 176.300 0.021 0.000 1.032 212 R CA 0.636 56.748 56.100 0.020 0.000 0.693 212 R CB -1.085 29.223 30.300 0.014 0.000 1.134 212 R HN 0.102 nan 8.270 nan 0.000 0.433 213 R N 0.205 120.732 120.500 0.044 0.000 2.875 213 R HA 0.562 4.902 4.340 -0.001 0.000 0.251 213 R C 0.567 176.892 176.300 0.042 0.000 1.123 213 R CA -0.978 55.156 56.100 0.057 0.000 1.064 213 R CB 0.630 30.997 30.300 0.111 0.000 1.205 213 R HN 0.034 nan 8.270 nan 0.000 0.503 214 L N 0.233 121.467 121.223 0.018 0.000 2.387 214 L HA 0.393 4.733 4.340 -0.001 0.000 0.266 214 L C 0.472 177.310 176.870 -0.054 0.000 1.059 214 L CA -0.521 54.285 54.840 -0.056 0.000 0.801 214 L CB 0.890 42.827 42.059 -0.203 0.000 1.223 214 L HN 0.472 nan 8.230 nan 0.000 0.456 215 H N 0.688 119.574 119.070 -0.306 0.000 2.860 215 H HA 0.339 4.894 4.556 -0.001 0.000 0.312 215 H C -1.179 173.899 175.328 -0.417 0.000 0.995 215 H CA -0.718 54.933 56.048 -0.662 0.000 1.311 215 H CB 1.303 30.747 29.762 -0.530 0.000 1.478 215 H HN 0.703 nan 8.280 nan 0.000 0.508 216 T N 1.933 116.244 114.554 -0.406 0.000 2.902 216 T HA 0.429 4.779 4.350 -0.001 0.000 0.283 216 T C -0.234 174.240 174.700 -0.376 0.000 1.009 216 T CA -0.937 60.970 62.100 -0.322 0.000 1.051 216 T CB 1.845 70.676 68.868 -0.063 0.000 0.999 216 T HN 0.419 nan 8.240 nan 0.000 0.474 217 S N 0.821 116.326 115.700 -0.325 0.000 2.575 217 S HA 0.328 4.798 4.470 -0.001 0.000 0.278 217 S C -1.354 173.234 174.600 -0.021 0.000 1.139 217 S CA -0.821 57.275 58.200 -0.174 0.000 0.954 217 S CB 0.795 63.802 63.200 -0.322 0.000 1.054 217 S HN 1.011 nan 8.310 nan 0.000 0.483 218 H N 6.133 125.216 119.070 0.022 0.000 2.820 218 H HA 0.511 5.066 4.556 -0.001 0.000 0.278 218 H C 0.816 176.185 175.328 0.069 0.000 1.142 218 H CA -0.927 55.175 56.048 0.089 0.000 1.346 218 H CB 0.112 30.040 29.762 0.276 0.000 1.438 218 H HN 0.715 nan 8.280 nan 0.000 0.473 219 I N 1.190 121.880 120.570 0.199 0.000 3.246 219 I HA 0.017 4.187 4.170 -0.001 0.000 0.280 219 I C 1.745 177.966 176.117 0.174 0.000 1.239 219 I CA -0.447 60.941 61.300 0.146 0.000 1.336 219 I CB 0.756 38.795 38.000 0.064 0.000 1.383 219 I HN 0.642 nan 8.210 nan 0.000 0.617 220 R N 1.655 122.215 120.500 0.100 0.000 2.103 220 R HA -0.134 4.205 4.340 -0.001 0.000 0.242 220 R C 0.475 176.802 176.300 0.046 0.000 1.142 220 R CA 1.748 57.887 56.100 0.064 0.000 0.960 220 R CB 0.002 30.333 30.300 0.052 0.000 0.858 220 R HN 0.927 nan 8.270 nan 0.000 0.439 221 N N -0.759 117.973 118.700 0.054 0.000 2.371 221 N HA 0.023 4.762 4.740 -0.001 0.000 0.280 221 N C -1.413 174.123 175.510 0.043 0.000 1.084 221 N CA -0.274 52.797 53.050 0.035 0.000 0.892 221 N CB 1.965 40.464 38.487 0.020 0.000 1.653 221 N HN 0.093 nan 8.380 nan 0.000 0.480 222 E N 1.435 121.652 120.200 0.028 0.000 2.651 222 E HA 0.320 4.670 4.350 -0.001 0.000 0.208 222 E C -0.012 176.598 176.600 0.017 0.000 0.997 222 E CA -0.277 56.138 56.400 0.024 0.000 1.020 222 E CB 1.078 30.779 29.700 0.000 0.000 1.052 222 E HN 0.577 nan 8.360 nan 0.000 0.465 223 A N 0.776 123.605 122.820 0.014 0.000 2.970 223 A HA 0.180 4.499 4.320 -0.001 0.000 0.197 223 A C 0.747 178.338 177.584 0.012 0.000 1.411 223 A CA -0.154 51.890 52.037 0.012 0.000 1.518 223 A CB -0.189 18.806 19.000 -0.008 0.000 1.658 223 A HN -0.038 nan 8.150 nan 0.000 0.539 224 D N 0.556 120.955 120.400 -0.001 0.000 2.182 224 D HA -0.019 4.620 4.640 -0.001 0.000 0.201 224 D C 1.399 177.704 176.300 0.009 0.000 0.986 224 D CA 1.716 55.716 54.000 -0.001 0.000 0.847 224 D CB -0.335 40.459 40.800 -0.009 0.000 0.942 224 D HN 0.466 nan 8.370 nan 0.000 0.467 225 G N -0.085 108.723 108.800 0.013 0.000 3.605 225 G HA2 0.100 4.060 3.960 -0.001 0.000 0.277 225 G HA3 0.100 4.060 3.960 -0.001 0.000 0.277 225 G C 1.293 176.211 174.900 0.031 0.000 1.093 225 G CA -0.197 44.914 45.100 0.019 0.000 0.821 225 G HN 0.175 nan 8.290 nan 0.000 0.532 226 V N 0.202 120.138 119.914 0.037 0.000 2.343 226 V HA -0.164 3.956 4.120 -0.001 0.000 0.247 226 V C 2.455 178.589 176.094 0.066 0.000 1.051 226 V CA 2.563 64.898 62.300 0.059 0.000 1.036 226 V CB -0.044 31.817 31.823 0.062 0.000 0.654 226 V HN 0.556 nan 8.190 nan 0.000 0.451 227 E N -0.048 120.183 120.200 0.052 0.000 2.072 227 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 227 E C 2.275 178.894 176.600 0.031 0.000 0.985 227 E CA 1.270 57.697 56.400 0.045 0.000 0.801 227 E CB -0.356 29.365 29.700 0.036 0.000 0.750 227 E HN 0.696 nan 8.360 nan 0.000 0.452 228 A N 1.394 124.231 122.820 0.028 0.000 1.930 228 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 228 A C 2.357 179.956 177.584 0.025 0.000 1.175 228 A CA 1.517 53.568 52.037 0.023 0.000 0.627 228 A CB -0.483 18.530 19.000 0.021 0.000 0.815 228 A HN 0.285 nan 8.150 nan 0.000 0.443 229 A N -0.583 122.256 122.820 0.032 0.000 1.902 229 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 229 A C 2.215 179.811 177.584 0.019 0.000 1.181 229 A CA 1.747 53.805 52.037 0.035 0.000 0.623 229 A CB -0.827 18.202 19.000 0.048 0.000 0.818 229 A HN 0.357 nan 8.150 nan 0.000 0.443 230 V N 0.124 120.044 119.914 0.010 0.000 2.358 230 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 230 V C 2.612 178.688 176.094 -0.031 0.000 1.047 230 V CA 2.339 64.617 62.300 -0.037 0.000 1.035 230 V CB -0.630 31.161 31.823 -0.053 0.000 0.658 230 V HN 0.746 nan 8.190 nan 0.000 0.452 231 E N 0.902 121.097 120.200 -0.008 0.000 2.118 231 E HA -0.278 4.072 4.350 -0.001 0.000 0.195 231 E C 2.144 178.746 176.600 0.004 0.000 0.992 231 E CA 2.012 58.410 56.400 -0.004 0.000 0.804 231 E CB -0.339 29.364 29.700 0.005 0.000 0.741 231 E HN 0.695 nan 8.360 nan 0.000 0.458 232 E N -0.258 119.950 120.200 0.013 0.000 2.058 232 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 232 E C 2.017 178.638 176.600 0.036 0.000 0.997 232 E CA 2.113 58.529 56.400 0.026 0.000 0.801 232 E CB -0.077 29.644 29.700 0.035 0.000 0.746 232 E HN 0.305 nan 8.360 nan 0.000 0.450 233 V N -0.967 118.964 119.914 0.028 0.000 2.719 233 V HA -0.081 4.039 4.120 -0.001 0.000 0.252 233 V C 2.261 178.366 176.094 0.018 0.000 1.065 233 V CA 0.943 63.271 62.300 0.046 0.000 1.086 233 V CB -0.485 31.327 31.823 -0.019 0.000 0.700 233 V HN 0.214 nan 8.190 nan 0.000 0.467 234 L N 0.650 121.865 121.223 -0.013 0.000 2.156 234 L HA 0.065 4.404 4.340 -0.001 0.000 0.208 234 L C 3.006 179.878 176.870 0.002 0.000 1.095 234 L CA 1.340 56.168 54.840 -0.020 0.000 0.770 234 L CB -0.764 41.274 42.059 -0.035 0.000 0.914 234 L HN 0.415 nan 8.230 nan 0.000 0.439 235 A N 0.480 123.307 122.820 0.011 0.000 1.933 235 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 235 A C 2.183 179.782 177.584 0.024 0.000 1.175 235 A CA 1.414 53.460 52.037 0.015 0.000 0.628 235 A CB -0.572 18.437 19.000 0.016 0.000 0.814 235 A HN 0.349 nan 8.150 nan 0.000 0.444 236 I N -0.461 120.134 120.570 0.041 0.000 2.252 236 I HA -0.182 3.988 4.170 -0.001 0.000 0.245 236 I C 2.669 178.819 176.117 0.056 0.000 1.102 236 I CA 1.115 62.447 61.300 0.054 0.000 1.385 236 I CB -0.552 37.502 38.000 0.091 0.000 1.064 236 I HN 0.398 nan 8.210 nan 0.000 0.414 237 G N 0.631 109.464 108.800 0.054 0.000 2.402 237 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 237 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 237 G C 1.811 176.721 174.900 0.018 0.000 1.162 237 G CA 0.268 45.391 45.100 0.037 0.000 0.777 237 G HN 0.282 nan 8.290 nan 0.000 0.539 238 R N 0.024 120.530 120.500 0.011 0.000 2.092 238 R HA 0.002 4.341 4.340 -0.001 0.000 0.231 238 R C 2.841 179.146 176.300 0.008 0.000 1.119 238 R CA 0.969 57.073 56.100 0.006 0.000 0.970 238 R CB -0.378 29.923 30.300 0.003 0.000 0.864 238 R HN 0.356 nan 8.270 nan 0.000 0.440 239 G N 0.038 108.846 108.800 0.012 0.000 2.430 239 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 239 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 239 G C 1.458 176.365 174.900 0.012 0.000 1.146 239 G CA 1.195 46.302 45.100 0.011 0.000 0.793 239 G HN 0.446 nan 8.290 nan 0.000 0.537 240 T N -3.778 110.786 114.554 0.018 0.000 3.014 240 T HA 0.384 4.733 4.350 -0.001 0.000 0.250 240 T C 1.905 176.617 174.700 0.020 0.000 1.060 240 T CA 1.016 63.127 62.100 0.019 0.000 1.040 240 T CB 0.328 69.213 68.868 0.028 0.000 0.971 240 T HN 1.295 nan 8.240 nan 0.000 0.497 241 G N 0.649 109.460 108.800 0.018 0.000 2.159 241 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.256 241 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.256 241 G C 0.364 175.273 174.900 0.015 0.000 0.977 241 G CA -0.082 45.025 45.100 0.012 0.000 0.652 241 G HN 0.876 nan 8.290 nan 0.000 0.531 242 C N 2.010 121.329 119.300 0.033 0.000 2.629 242 C HA 0.664 5.124 4.460 -0.001 0.000 0.410 242 C C 1.573 176.573 174.990 0.016 0.000 1.339 242 C CA 0.078 59.123 59.018 0.046 0.000 1.810 242 C CB -1.019 26.782 27.740 0.101 0.000 2.549 242 C HN 1.569 nan 8.230 nan 0.000 0.589 243 A N 6.068 128.878 122.820 -0.016 0.000 2.540 243 A HA 0.467 4.787 4.320 -0.001 0.000 0.239 243 A C 0.527 178.055 177.584 -0.094 0.000 1.061 243 A CA 0.622 52.617 52.037 -0.070 0.000 0.758 243 A CB 0.062 18.997 19.000 -0.108 0.000 0.991 243 A HN 0.952 nan 8.150 nan 0.000 0.502 244 T N 1.528 116.004 114.554 -0.130 0.000 2.893 244 T HA 0.567 4.916 4.350 -0.001 0.000 0.291 244 T C -0.805 173.756 174.700 -0.233 0.000 1.028 244 T CA -0.410 61.579 62.100 -0.186 0.000 0.995 244 T CB 1.625 70.404 68.868 -0.148 0.000 1.051 244 T HN 0.531 nan 8.240 nan 0.000 0.470 245 V N 2.697 122.440 119.914 -0.285 0.000 2.531 245 V HA 0.401 4.521 4.120 -0.001 0.000 0.301 245 V C -0.379 175.571 176.094 -0.240 0.000 1.034 245 V CA -0.828 61.333 62.300 -0.231 0.000 0.865 245 V CB 2.034 33.744 31.823 -0.187 0.000 0.995 245 V HN 0.750 nan 8.190 nan 0.000 0.424 246 V N 4.152 123.934 119.914 -0.221 0.000 2.353 246 V HA 0.262 4.382 4.120 -0.001 0.000 0.264 246 V C 0.686 176.671 176.094 -0.182 0.000 1.049 246 V CA -0.084 62.074 62.300 -0.236 0.000 0.896 246 V CB 1.150 32.773 31.823 -0.333 0.000 1.025 246 V HN 0.937 nan 8.190 nan 0.000 0.475 247 S N 3.996 119.567 115.700 -0.214 0.000 2.572 247 S HA 0.174 4.644 4.470 -0.001 0.000 0.279 247 S C 0.592 174.892 174.600 -0.500 0.000 1.341 247 S CA -0.302 57.689 58.200 -0.349 0.000 1.043 247 S CB -0.037 62.902 63.200 -0.436 0.000 0.887 247 S HN 1.235 nan 8.310 nan 0.000 0.516 248 H N -0.421 118.538 119.070 -0.185 0.000 2.041 248 H HA -0.228 4.328 4.556 -0.000 0.000 0.325 248 H C -0.251 174.974 175.328 -0.172 0.000 0.902 248 H CA 0.735 56.633 56.048 -0.250 0.000 1.073 248 H CB -2.381 27.229 29.762 -0.253 0.000 1.583 248 H HN 0.632 nan 8.280 nan 0.000 0.331 249 H N 2.226 121.246 119.070 -0.083 0.000 2.964 249 H HA 0.391 4.947 4.556 -0.001 0.000 0.328 249 H C 0.740 176.013 175.328 -0.092 0.000 1.030 249 H CA 0.539 56.542 56.048 -0.075 0.000 1.445 249 H CB 0.498 30.205 29.762 -0.091 0.000 1.449 249 H HN 0.873 nan 8.280 nan 0.000 0.581 250 K N 2.277 122.458 120.400 -0.365 0.000 2.615 250 K HA 0.521 4.841 4.320 -0.001 0.000 0.291 250 K C -1.822 174.628 176.600 -0.250 0.000 1.017 250 K CA -0.923 55.177 56.287 -0.312 0.000 0.882 250 K CB 0.405 32.804 32.500 -0.168 0.000 1.522 250 K HN 0.406 nan 8.250 nan 0.000 0.412 251 C N 1.860 121.086 119.300 -0.123 0.000 2.356 251 C HA 0.503 4.962 4.460 -0.001 0.000 0.324 251 C C -0.369 174.717 174.990 0.159 0.000 1.167 251 C CA -0.692 58.333 59.018 0.012 0.000 1.420 251 C CB 0.044 27.811 27.740 0.045 0.000 2.036 251 C HN 0.686 nan 8.230 nan 0.000 0.435 252 M N 4.116 123.796 119.600 0.133 0.000 2.277 252 M HA 0.578 5.058 4.480 -0.001 0.000 0.350 252 M C -0.323 176.068 176.300 0.152 0.000 1.180 252 M CA 0.331 55.740 55.300 0.181 0.000 1.103 252 M CB 0.842 33.489 32.600 0.079 0.000 1.577 252 M HN 0.692 nan 8.290 nan 0.000 0.459 253 M N 0.634 120.337 119.600 0.172 0.000 4.056 253 M HA -0.145 4.335 4.480 -0.001 0.000 0.157 253 M C -2.300 173.658 176.300 -0.569 0.000 1.531 253 M CA -0.585 54.653 55.300 -0.103 0.000 1.097 253 M CB -0.890 31.655 32.600 -0.090 0.000 1.345 253 M HN 0.414 nan 8.290 nan 0.000 0.190 254 P HA -0.270 nan 4.420 nan 0.000 0.218 254 P C 1.444 178.299 177.300 -0.742 0.000 1.154 254 P CA 2.097 64.245 63.100 -1.587 0.000 0.872 254 P CB -0.182 30.883 31.700 -1.060 0.000 0.790 255 Q N -0.377 119.181 119.800 -0.404 0.000 2.364 255 Q HA -0.130 4.210 4.340 -0.001 0.000 0.207 255 Q C 0.774 176.708 176.000 -0.109 0.000 0.970 255 Q CA 1.651 57.334 55.803 -0.200 0.000 0.888 255 Q CB -1.266 27.390 28.738 -0.136 0.000 0.951 255 Q HN 0.409 nan 8.270 nan 0.000 0.469 256 N N -0.852 117.789 118.700 -0.099 0.000 2.205 256 N HA 0.061 4.800 4.740 -0.001 0.000 0.201 256 N C -0.828 174.797 175.510 0.192 0.000 1.128 256 N CA -0.477 52.597 53.050 0.040 0.000 0.867 256 N CB 0.258 38.774 38.487 0.049 0.000 0.996 256 N HN 0.123 nan 8.380 nan 0.000 0.503 257 W N 1.267 122.559 121.300 -0.014 0.000 2.322 257 W HA 0.268 4.928 4.660 -0.001 0.000 0.328 257 W C 1.416 177.925 176.519 -0.017 0.000 1.395 257 W CA 0.545 57.880 57.345 -0.017 0.000 1.267 257 W CB -0.230 29.225 29.460 -0.008 0.000 1.259 257 W HN 0.289 nan 8.180 nan 0.000 0.560 258 G N 2.399 111.303 108.800 0.172 0.000 2.213 258 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.226 258 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.226 258 G C 1.389 176.326 174.900 0.061 0.000 0.992 258 G CA 0.081 45.234 45.100 0.090 0.000 0.632 258 G HN 0.510 nan 8.290 nan 0.000 0.511 259 R N 1.182 121.722 120.500 0.067 0.000 2.328 259 R HA 0.066 4.406 4.340 -0.001 0.000 0.207 259 R C 2.691 179.017 176.300 0.044 0.000 1.056 259 R CA 1.324 57.454 56.100 0.051 0.000 1.016 259 R CB -0.170 30.162 30.300 0.052 0.000 0.872 259 R HN 0.629 nan 8.270 nan 0.000 0.471 260 S N 0.432 116.144 115.700 0.020 0.000 2.474 260 S HA -0.080 4.389 4.470 -0.001 0.000 0.235 260 S C 1.727 176.365 174.600 0.064 0.000 0.997 260 S CA 0.374 58.593 58.200 0.032 0.000 0.949 260 S CB -0.047 63.124 63.200 -0.049 0.000 0.766 260 S HN 0.305 nan 8.310 nan 0.000 0.517 261 R N 1.282 121.809 120.500 0.045 0.000 2.096 261 R HA 0.081 4.421 4.340 -0.001 0.000 0.235 261 R C 2.664 178.993 176.300 0.049 0.000 1.127 261 R CA 1.327 57.454 56.100 0.045 0.000 0.968 261 R CB -0.666 29.653 30.300 0.032 0.000 0.861 261 R HN 0.580 nan 8.270 nan 0.000 0.440 262 A N 0.924 123.773 122.820 0.048 0.000 1.898 262 A HA -0.129 4.191 4.320 -0.001 0.000 0.214 262 A C 2.319 179.932 177.584 0.048 0.000 1.183 262 A CA 1.756 53.818 52.037 0.043 0.000 0.622 262 A CB -0.778 18.245 19.000 0.038 0.000 0.824 262 A HN 0.464 nan 8.150 nan 0.000 0.444 263 T N -1.203 113.397 114.554 0.077 0.000 2.777 263 T HA -0.052 4.298 4.350 -0.001 0.000 0.266 263 T C 1.819 176.537 174.700 0.030 0.000 1.040 263 T CA 1.429 63.576 62.100 0.078 0.000 1.141 263 T CB -0.573 68.424 68.868 0.214 0.000 0.868 263 T HN 0.263 nan 8.240 nan 0.000 0.444 264 L N 0.880 122.142 121.223 0.065 0.000 2.141 264 L HA 0.111 4.450 4.340 -0.001 0.000 0.209 264 L C 3.299 180.201 176.870 0.054 0.000 1.094 264 L CA 0.983 55.842 54.840 0.031 0.000 0.763 264 L CB -0.716 41.413 42.059 0.116 0.000 0.908 264 L HN 0.390 nan 8.230 nan 0.000 0.437 265 A N 0.148 122.998 122.820 0.050 0.000 1.930 265 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 265 A C 2.113 179.711 177.584 0.023 0.000 1.175 265 A CA 1.828 53.889 52.037 0.041 0.000 0.627 265 A CB -0.535 18.484 19.000 0.032 0.000 0.815 265 A HN 0.410 nan 8.150 nan 0.000 0.443 266 N N 0.341 119.046 118.700 0.009 0.000 2.142 266 N HA -0.061 4.678 4.740 -0.001 0.000 0.186 266 N C 1.533 177.030 175.510 -0.022 0.000 1.023 266 N CA 1.485 54.532 53.050 -0.006 0.000 0.852 266 N CB -0.377 38.102 38.487 -0.012 0.000 0.998 266 N HN 0.514 nan 8.380 nan 0.000 0.424 267 I N 0.665 121.208 120.570 -0.046 0.000 2.226 267 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 267 I C 1.444 177.555 176.117 -0.010 0.000 1.100 267 I CA 1.150 62.405 61.300 -0.075 0.000 1.374 267 I CB -0.253 37.641 38.000 -0.178 0.000 1.057 267 I HN 0.085 nan 8.210 nan 0.000 0.413 268 D N 0.642 121.068 120.400 0.044 0.000 2.117 268 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 268 D C 2.330 178.646 176.300 0.026 0.000 0.987 268 D CA 1.085 55.126 54.000 0.068 0.000 0.829 268 D CB -0.218 40.630 40.800 0.081 0.000 0.961 268 D HN 0.275 nan 8.370 nan 0.000 0.460 269 R N 0.493 121.001 120.500 0.013 0.000 2.096 269 R HA -0.023 4.317 4.340 -0.001 0.000 0.235 269 R C 2.209 178.508 176.300 -0.001 0.000 1.127 269 R CA 1.144 57.247 56.100 0.005 0.000 0.968 269 R CB -0.189 30.113 30.300 0.003 0.000 0.861 269 R HN 0.102 nan 8.270 nan 0.000 0.440 270 A N 1.996 124.812 122.820 -0.007 0.000 1.898 270 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 270 A C 2.113 179.690 177.584 -0.012 0.000 1.181 270 A CA 1.331 53.360 52.037 -0.014 0.000 0.620 270 A CB -0.390 18.594 19.000 -0.027 0.000 0.819 270 A HN 0.361 nan 8.150 nan 0.000 0.442 271 R N -0.173 120.323 120.500 -0.007 0.000 2.189 271 R HA 0.001 4.341 4.340 -0.001 0.000 0.218 271 R C 1.409 177.708 176.300 -0.002 0.000 1.074 271 R CA 1.440 57.537 56.100 -0.004 0.000 0.991 271 R CB -0.429 29.876 30.300 0.008 0.000 0.883 271 R HN 0.560 nan 8.270 nan 0.000 0.457 272 E N 1.325 121.525 120.200 0.001 0.000 2.150 272 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 272 E C 1.697 178.295 176.600 -0.003 0.000 0.985 272 E CA 1.052 57.451 56.400 -0.001 0.000 0.814 272 E CB 0.080 29.780 29.700 0.000 0.000 0.752 272 E HN 0.518 nan 8.360 nan 0.000 0.466 273 Q N -0.884 118.913 119.800 -0.004 0.000 2.482 273 Q HA 0.046 4.385 4.340 -0.001 0.000 0.209 273 Q C 0.993 176.990 176.000 -0.005 0.000 0.961 273 Q CA 0.531 56.332 55.803 -0.004 0.000 0.945 273 Q CB 0.761 29.497 28.738 -0.004 0.000 1.012 273 Q HN 0.405 nan 8.270 nan 0.000 0.515 274 G N -0.050 108.746 108.800 -0.007 0.000 2.201 274 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.212 274 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.212 274 G C 0.140 175.033 174.900 -0.012 0.000 0.994 274 G CA -0.157 44.938 45.100 -0.008 0.000 0.644 274 G HN 0.182 nan 8.290 nan 0.000 0.508 275 V N 1.725 121.630 119.914 -0.014 0.000 2.555 275 V HA 0.310 4.429 4.120 -0.001 0.000 0.286 275 V C 0.696 176.772 176.094 -0.030 0.000 1.044 275 V CA -0.159 62.129 62.300 -0.020 0.000 1.026 275 V CB 1.449 33.260 31.823 -0.020 0.000 0.981 275 V HN 0.364 nan 8.190 nan 0.000 0.480 276 E N 3.190 123.366 120.200 -0.040 0.000 2.070 276 E HA 0.340 4.689 4.350 -0.001 0.000 0.282 276 E C -0.741 175.812 176.600 -0.078 0.000 1.104 276 E CA -0.052 56.314 56.400 -0.056 0.000 0.876 276 E CB 1.635 31.294 29.700 -0.068 0.000 1.055 276 E HN 0.444 nan 8.360 nan 0.000 0.401 277 V N 2.524 122.394 119.914 -0.074 0.000 2.588 277 V HA 0.796 4.916 4.120 -0.001 0.000 0.304 277 V C -0.973 175.062 176.094 -0.100 0.000 1.042 277 V CA -0.285 61.954 62.300 -0.102 0.000 0.877 277 V CB 1.535 33.298 31.823 -0.100 0.000 0.996 277 V HN 0.732 nan 8.190 nan 0.000 0.425 278 A N 6.121 128.861 122.820 -0.132 0.000 2.524 278 A HA 1.047 5.366 4.320 -0.001 0.000 0.286 278 A C -1.111 176.393 177.584 -0.134 0.000 1.203 278 A CA -0.359 51.615 52.037 -0.105 0.000 0.736 278 A CB 1.916 20.867 19.000 -0.082 0.000 1.322 278 A HN 1.841 nan 8.150 nan 0.000 0.424 279 L N -2.818 118.354 121.223 -0.084 0.000 2.801 279 L HA 0.969 5.309 4.340 -0.001 0.000 0.264 279 L C -1.804 175.078 176.870 0.019 0.000 1.086 279 L CA -0.967 53.826 54.840 -0.079 0.000 0.920 279 L CB 2.168 44.135 42.059 -0.153 0.000 1.529 279 L HN 0.853 nan 8.230 nan 0.000 0.399 280 D N -0.308 120.110 120.400 0.031 0.000 2.609 280 D HA 0.737 5.376 4.640 -0.001 0.000 0.239 280 D C -0.929 175.388 176.300 0.027 0.000 1.229 280 D CA -0.469 53.577 54.000 0.075 0.000 0.808 280 D CB 2.339 43.214 40.800 0.124 0.000 1.448 280 D HN 0.886 nan 8.370 nan 0.000 0.433 281 I N -3.263 117.317 120.570 0.015 0.000 3.191 281 I HA 0.735 4.904 4.170 -0.001 0.000 0.313 281 I C -1.643 174.403 176.117 -0.119 0.000 1.193 281 I CA -1.419 59.807 61.300 -0.122 0.000 0.968 281 I CB 1.696 39.649 38.000 -0.077 0.000 1.262 281 I HN 0.496 nan 8.210 nan 0.000 0.456 282 Y N 0.029 120.321 120.300 -0.013 0.000 2.429 282 Y HA 0.825 5.375 4.550 -0.001 0.000 0.342 282 Y C -2.567 173.317 175.900 -0.027 0.000 1.004 282 Y CA -3.246 54.834 58.100 -0.033 0.000 1.075 282 Y CB 0.845 39.340 38.460 0.058 0.000 1.214 282 Y HN 0.431 nan 8.280 nan 0.000 0.455 283 P HA 0.143 nan 4.420 nan 0.000 0.225 283 P C -1.650 175.370 177.300 -0.467 0.000 1.768 283 P CA 0.552 63.354 63.100 -0.497 0.000 0.943 283 P CB -0.830 30.087 31.700 -1.305 0.000 1.936 284 Y N 0.526 121.000 120.300 0.289 0.000 2.544 284 Y HA 0.349 4.899 4.550 -0.001 0.000 0.342 284 Y C -1.851 174.309 175.900 0.433 0.000 1.062 284 Y CA -2.258 56.101 58.100 0.432 0.000 1.023 284 Y CB 2.128 40.967 38.460 0.632 0.000 1.308 284 Y HN -0.116 nan 8.280 nan 0.000 0.457 285 P HA 0.207 nan 4.420 nan 0.000 0.254 285 P C -0.048 177.489 177.300 0.394 0.000 1.494 285 P CA 0.309 63.618 63.100 0.349 0.000 0.961 285 P CB 0.511 32.342 31.700 0.219 0.000 1.493 286 G N -0.204 108.920 108.800 0.540 0.000 2.638 286 G HA2 0.486 4.446 3.960 -0.001 0.000 0.302 286 G HA3 0.486 4.446 3.960 -0.001 0.000 0.302 286 G C -0.552 174.618 174.900 0.450 0.000 1.365 286 G CA -0.311 44.968 45.100 0.297 0.000 0.987 286 G HN 0.115 nan 8.290 nan 0.000 0.495 287 S N -0.279 115.592 115.700 0.284 0.000 2.758 287 S HA 0.862 5.332 4.470 -0.001 0.000 0.292 287 S C -0.072 174.670 174.600 0.236 0.000 1.131 287 S CA -0.612 57.761 58.200 0.288 0.000 0.997 287 S CB 2.001 65.348 63.200 0.245 0.000 1.111 287 S HN 1.239 nan 8.310 nan 0.000 0.552 288 S N -0.442 115.366 115.700 0.180 0.000 2.592 288 S HA 0.642 5.112 4.470 -0.001 0.000 0.275 288 S C -0.810 173.917 174.600 0.211 0.000 1.169 288 S CA -0.153 58.150 58.200 0.171 0.000 0.958 288 S CB 1.233 64.505 63.200 0.120 0.000 1.095 288 S HN 1.166 nan 8.310 nan 0.000 0.471 289 T N 2.889 117.619 114.554 0.293 0.000 2.647 289 T HA 0.473 4.822 4.350 -0.001 0.000 0.302 289 T C -0.936 173.929 174.700 0.275 0.000 1.389 289 T CA -0.344 61.930 62.100 0.290 0.000 1.037 289 T CB -0.050 69.046 68.868 0.382 0.000 1.755 289 T HN 0.954 nan 8.240 nan 0.000 0.467 290 I N 1.308 122.015 120.570 0.228 0.000 2.892 290 I HA 0.472 4.642 4.170 -0.001 0.000 0.287 290 I C 0.091 176.303 176.117 0.159 0.000 1.205 290 I CA -0.713 60.679 61.300 0.153 0.000 1.409 290 I CB 0.153 38.215 38.000 0.103 0.000 1.367 290 I HN 0.478 nan 8.210 nan 0.000 0.597 291 L N 6.456 127.678 121.223 -0.001 0.000 2.410 291 L HA 0.383 4.723 4.340 -0.001 0.000 0.273 291 L C -0.448 176.484 176.870 0.102 0.000 1.144 291 L CA 0.458 55.323 54.840 0.042 0.000 0.863 291 L CB 0.007 41.991 42.059 -0.125 0.000 1.140 291 L HN 0.493 nan 8.230 nan 0.000 0.463 292 I N 8.094 128.776 120.570 0.187 0.000 2.390 292 I HA 0.273 4.443 4.170 -0.001 0.000 0.283 292 I C -1.569 174.603 176.117 0.092 0.000 1.016 292 I CA -1.582 59.786 61.300 0.112 0.000 1.151 292 I CB 1.454 39.497 38.000 0.072 0.000 1.293 292 I HN 0.533 nan 8.210 nan 0.000 0.458 293 P HA -0.178 nan 4.420 nan 0.000 0.217 293 P C 0.889 178.214 177.300 0.042 0.000 1.148 293 P CA 1.242 64.371 63.100 0.049 0.000 0.828 293 P CB 0.241 31.965 31.700 0.039 0.000 0.783 294 E N -1.020 119.201 120.200 0.035 0.000 2.409 294 E HA -0.106 4.244 4.350 -0.001 0.000 0.198 294 E C 1.628 178.239 176.600 0.018 0.000 1.024 294 E CA 0.705 57.118 56.400 0.022 0.000 0.861 294 E CB -0.397 29.312 29.700 0.014 0.000 0.788 294 E HN 0.288 nan 8.360 nan 0.000 0.521 295 R N -0.336 120.184 120.500 0.034 0.000 2.312 295 R HA 0.286 4.626 4.340 -0.001 0.000 0.205 295 R C 1.915 178.255 176.300 0.068 0.000 0.904 295 R CA 0.484 56.608 56.100 0.040 0.000 1.052 295 R CB 0.287 30.610 30.300 0.039 0.000 1.014 295 R HN 0.095 nan 8.270 nan 0.000 0.503 296 A N 1.553 124.408 122.820 0.058 0.000 1.948 296 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 296 A C 1.455 179.053 177.584 0.023 0.000 1.177 296 A CA 1.486 53.548 52.037 0.043 0.000 0.636 296 A CB -0.003 19.014 19.000 0.028 0.000 0.815 296 A HN 0.122 nan 8.150 nan 0.000 0.449 297 E N -1.134 119.075 120.200 0.016 0.000 2.548 297 E HA 0.054 4.404 4.350 -0.001 0.000 0.206 297 E C 1.188 177.786 176.600 -0.002 0.000 1.005 297 E CA 0.904 57.305 56.400 0.002 0.000 0.951 297 E CB 0.171 29.869 29.700 -0.002 0.000 1.035 297 E HN 0.808 nan 8.360 nan 0.000 0.470 298 T N -2.983 111.575 114.554 0.007 0.000 2.955 298 T HA 0.352 4.702 4.350 -0.001 0.000 0.251 298 T C 0.858 175.562 174.700 0.007 0.000 1.002 298 T CA -0.063 62.035 62.100 -0.004 0.000 0.970 298 T CB 0.473 69.335 68.868 -0.010 0.000 1.091 298 T HN -0.080 nan 8.240 nan 0.000 0.495 299 I N 2.308 122.902 120.570 0.041 0.000 2.499 299 I HA 0.460 4.630 4.170 -0.001 0.000 0.288 299 I C -1.142 175.016 176.117 0.067 0.000 1.048 299 I CA -1.047 60.298 61.300 0.075 0.000 1.062 299 I CB 2.132 40.227 38.000 0.158 0.000 1.238 299 I HN -0.001 nan 8.210 nan 0.000 0.426 300 D N 4.209 124.632 120.400 0.038 0.000 2.348 300 D HA 0.161 4.800 4.640 -0.001 0.000 0.249 300 D C 0.004 176.315 176.300 0.018 0.000 1.110 300 D CA 0.283 54.278 54.000 -0.008 0.000 0.967 300 D CB 0.797 41.562 40.800 -0.058 0.000 1.139 300 D HN 0.481 nan 8.370 nan 0.000 0.466 301 D N -0.242 120.111 120.400 -0.079 0.000 2.837 301 D HA -0.190 4.450 4.640 -0.001 0.000 0.230 301 D C -0.165 176.281 176.300 0.243 0.000 1.152 301 D CA 0.432 54.398 54.000 -0.057 0.000 0.736 301 D CB -1.415 39.324 40.800 -0.103 0.000 1.084 301 D HN 0.361 nan 8.370 nan 0.000 0.429 302 I N 0.474 121.116 120.570 0.120 0.000 2.662 302 I HA -0.075 4.094 4.170 -0.001 0.000 0.285 302 I C 1.247 177.396 176.117 0.054 0.000 1.161 302 I CA 0.617 61.918 61.300 0.001 0.000 1.415 302 I CB 0.392 38.371 38.000 -0.035 0.000 1.385 302 I HN -0.087 nan 8.210 nan 0.000 0.552 303 R N 7.191 127.666 120.500 -0.042 0.000 2.437 303 R HA 0.424 4.763 4.340 -0.001 0.000 0.310 303 R C -0.624 175.573 176.300 -0.172 0.000 0.955 303 R CA -0.935 55.129 56.100 -0.060 0.000 0.851 303 R CB 0.976 31.278 30.300 0.003 0.000 1.161 303 R HN 0.441 nan 8.270 nan 0.000 0.446 304 I N 4.309 124.781 120.570 -0.164 0.000 2.618 304 I HA -0.030 4.140 4.170 -0.001 0.000 0.284 304 I C 1.644 177.694 176.117 -0.112 0.000 1.146 304 I CA 0.557 61.753 61.300 -0.172 0.000 1.425 304 I CB 1.055 38.963 38.000 -0.153 0.000 1.383 304 I HN 0.810 nan 8.210 nan 0.000 0.562 305 T N 2.567 117.062 114.554 -0.098 0.000 3.015 305 T HA 0.129 4.479 4.350 -0.001 0.000 0.250 305 T C 0.054 174.884 174.700 0.216 0.000 1.057 305 T CA -0.163 61.973 62.100 0.060 0.000 1.066 305 T CB 0.448 69.402 68.868 0.143 0.000 0.959 305 T HN 0.705 nan 8.240 nan 0.000 0.488 306 W N -0.288 120.996 121.300 -0.028 0.000 3.173 306 W HA 0.664 5.323 4.660 -0.000 0.000 0.313 306 W C -2.273 174.251 176.519 0.008 0.000 1.228 306 W CA -1.014 56.323 57.345 -0.013 0.000 1.185 306 W CB 0.710 30.157 29.460 -0.022 0.000 1.390 306 W HN 0.029 nan 8.180 nan 0.000 0.568 307 S N 0.461 116.278 115.700 0.195 0.000 2.626 307 S HA 0.378 4.848 4.470 -0.001 0.000 0.275 307 S C 0.234 174.969 174.600 0.226 0.000 1.175 307 S CA 0.229 58.454 58.200 0.042 0.000 0.982 307 S CB 1.624 64.844 63.200 0.034 0.000 1.093 307 S HN 0.427 nan 8.310 nan 0.000 0.472 308 T N 5.283 119.999 114.554 0.269 0.000 2.737 308 T HA 0.020 4.370 4.350 -0.001 0.000 0.265 308 T C -0.869 173.871 174.700 0.066 0.000 1.038 308 T CA 1.704 63.927 62.100 0.205 0.000 1.144 308 T CB -0.717 68.282 68.868 0.218 0.000 0.866 308 T HN 0.666 nan 8.240 nan 0.000 0.434 309 P HA -0.034 nan 4.420 nan 0.000 0.224 309 P C 0.116 177.183 177.300 -0.387 0.000 1.157 309 P CA 1.171 64.169 63.100 -0.170 0.000 0.799 309 P CB 0.191 31.805 31.700 -0.144 0.000 0.809 310 H N -0.034 119.090 119.070 0.089 0.000 2.336 310 H HA 0.217 4.773 4.556 -0.001 0.000 0.230 310 H C -1.696 173.691 175.328 0.099 0.000 1.426 310 H CA -1.493 54.625 56.048 0.117 0.000 1.359 310 H CB 1.040 30.932 29.762 0.217 0.000 1.555 310 H HN 0.180 nan 8.280 nan 0.000 0.512 311 P HA -0.173 nan 4.420 nan 0.000 0.223 311 P C 1.364 178.729 177.300 0.109 0.000 1.144 311 P CA 0.984 64.158 63.100 0.122 0.000 0.783 311 P CB 0.432 32.185 31.700 0.089 0.000 0.771 312 E N -0.124 120.152 120.200 0.127 0.000 2.268 312 E HA -0.120 4.230 4.350 -0.001 0.000 0.195 312 E C 1.335 177.982 176.600 0.078 0.000 0.995 312 E CA 0.843 57.304 56.400 0.101 0.000 0.836 312 E CB -1.415 28.360 29.700 0.126 0.000 0.763 312 E HN 0.221 nan 8.360 nan 0.000 0.491 313 C N 1.631 120.987 119.300 0.095 0.000 2.562 313 C HA 0.190 4.650 4.460 -0.001 0.000 0.266 313 C C 1.107 176.083 174.990 -0.022 0.000 1.382 313 C CA -0.290 58.739 59.018 0.019 0.000 1.742 313 C CB -1.276 26.472 27.740 0.013 0.000 1.812 313 C HN 0.192 nan 8.230 nan 0.000 0.559 314 S N 0.508 116.215 115.700 0.011 0.000 2.546 314 S HA 0.378 4.848 4.470 -0.001 0.000 0.290 314 S C 1.336 175.912 174.600 -0.040 0.000 1.290 314 S CA 1.145 59.345 58.200 -0.001 0.000 1.069 314 S CB 0.297 63.524 63.200 0.046 0.000 0.846 314 S HN 0.883 nan 8.310 nan 0.000 0.495 315 G N 2.632 111.388 108.800 -0.073 0.000 2.195 315 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.246 315 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.246 315 G C -0.202 174.566 174.900 -0.220 0.000 0.984 315 G CA -0.023 45.007 45.100 -0.117 0.000 0.633 315 G HN 0.644 nan 8.290 nan 0.000 0.525 316 E N -0.423 119.657 120.200 -0.200 0.000 2.248 316 E HA 0.561 4.911 4.350 -0.001 0.000 0.272 316 E C -0.617 175.836 176.600 -0.244 0.000 1.008 316 E CA -0.917 55.337 56.400 -0.244 0.000 0.856 316 E CB 0.831 30.432 29.700 -0.165 0.000 1.120 316 E HN 0.232 nan 8.360 nan 0.000 0.397 317 Y N 1.306 121.538 120.300 -0.114 0.000 2.319 317 Y HA -0.007 4.543 4.550 -0.001 0.000 0.328 317 Y C 1.037 176.839 175.900 -0.163 0.000 1.133 317 Y CA -0.257 57.773 58.100 -0.117 0.000 1.265 317 Y CB 0.581 38.980 38.460 -0.101 0.000 1.218 317 Y HN 0.525 nan 8.280 nan 0.000 0.508 318 L N 3.270 124.508 121.223 0.025 0.000 2.042 318 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 318 L C 2.105 178.909 176.870 -0.110 0.000 1.076 318 L CA 2.303 57.090 54.840 -0.088 0.000 0.749 318 L CB -0.902 41.121 42.059 -0.061 0.000 0.893 318 L HN 0.793 nan 8.230 nan 0.000 0.432 319 A N -1.039 121.745 122.820 -0.060 0.000 1.933 319 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 319 A C 1.967 179.491 177.584 -0.101 0.000 1.175 319 A CA 1.804 53.791 52.037 -0.085 0.000 0.628 319 A CB -0.715 18.229 19.000 -0.094 0.000 0.814 319 A HN 0.534 nan 8.150 nan 0.000 0.444 320 D N -0.025 120.332 120.400 -0.072 0.000 2.149 320 D HA -0.061 4.579 4.640 -0.001 0.000 0.201 320 D C 1.858 178.025 176.300 -0.221 0.000 0.972 320 D CA 0.949 54.894 54.000 -0.093 0.000 0.835 320 D CB -0.296 40.493 40.800 -0.017 0.000 0.966 320 D HN 0.524 nan 8.370 nan 0.000 0.476 321 I N 1.199 121.565 120.570 -0.341 0.000 2.179 321 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 321 I C 2.490 178.134 176.117 -0.787 0.000 1.088 321 I CA 1.068 61.940 61.300 -0.714 0.000 1.357 321 I CB -0.256 37.235 38.000 -0.848 0.000 1.051 321 I HN -0.080 nan 8.210 nan 0.000 0.409 322 A N 0.826 123.377 122.820 -0.447 0.000 1.883 322 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 322 A C 2.547 180.065 177.584 -0.110 0.000 1.186 322 A CA 2.028 53.935 52.037 -0.217 0.000 0.624 322 A CB -0.930 18.003 19.000 -0.112 0.000 0.822 322 A HN 0.444 nan 8.150 nan 0.000 0.444 323 A N -0.448 122.301 122.820 -0.118 0.000 1.902 323 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 323 A C 2.253 179.818 177.584 -0.032 0.000 1.181 323 A CA 1.822 53.825 52.037 -0.058 0.000 0.623 323 A CB -0.482 18.482 19.000 -0.060 0.000 0.818 323 A HN 0.569 nan 8.150 nan 0.000 0.443 324 R N -1.671 118.776 120.500 -0.089 0.000 2.092 324 R HA -0.155 4.185 4.340 -0.001 0.000 0.231 324 R C 1.522 177.928 176.300 0.176 0.000 1.119 324 R CA 1.598 57.693 56.100 -0.009 0.000 0.970 324 R CB -0.209 30.039 30.300 -0.086 0.000 0.864 324 R HN 0.671 nan 8.270 nan 0.000 0.440 325 W N -0.249 121.028 121.300 -0.039 0.000 2.905 325 W HA 0.351 5.011 4.660 -0.001 0.000 0.251 325 W C 1.038 177.540 176.519 -0.029 0.000 1.305 325 W CA 0.742 58.061 57.345 -0.042 0.000 1.465 325 W CB -0.448 28.973 29.460 -0.065 0.000 1.122 325 W HN 0.407 nan 8.180 nan 0.000 0.659 326 G N 0.706 109.614 108.800 0.179 0.000 2.198 326 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.257 326 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.257 326 G C 0.153 175.109 174.900 0.094 0.000 1.042 326 G CA 0.114 45.275 45.100 0.101 0.000 0.791 326 G HN 0.382 nan 8.290 nan 0.000 0.502 327 C N -1.320 118.049 119.300 0.115 0.000 3.108 327 C HA 0.924 5.383 4.460 -0.001 0.000 0.321 327 C C 0.388 175.415 174.990 0.061 0.000 1.357 327 C CA -0.591 58.483 59.018 0.094 0.000 1.562 327 C CB 1.445 29.267 27.740 0.138 0.000 2.003 327 C HN 0.700 nan 8.230 nan 0.000 0.460 328 D N 0.324 120.752 120.400 0.046 0.000 2.377 328 D HA 0.258 4.898 4.640 -0.001 0.000 0.245 328 D C 0.742 177.055 176.300 0.022 0.000 1.196 328 D CA -0.542 53.472 54.000 0.024 0.000 0.962 328 D CB 0.646 41.457 40.800 0.019 0.000 1.127 328 D HN 0.654 nan 8.370 nan 0.000 0.471 329 K N -0.562 119.838 120.400 0.000 0.000 2.097 329 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 329 K C 1.916 178.523 176.600 0.011 0.000 1.049 329 K CA 1.489 57.770 56.287 -0.010 0.000 0.933 329 K CB -0.284 32.204 32.500 -0.020 0.000 0.717 329 K HN 0.477 nan 8.250 nan 0.000 0.442 330 T N 0.577 115.144 114.554 0.021 0.000 2.746 330 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 330 T C 1.918 176.644 174.700 0.045 0.000 1.039 330 T CA 1.677 63.795 62.100 0.030 0.000 1.142 330 T CB -0.303 68.580 68.868 0.025 0.000 0.866 330 T HN 0.250 nan 8.240 nan 0.000 0.444 331 T N 1.954 116.541 114.554 0.054 0.000 2.746 331 T HA 0.003 4.353 4.350 -0.001 0.000 0.267 331 T C 2.421 177.197 174.700 0.126 0.000 1.039 331 T CA 1.129 63.275 62.100 0.077 0.000 1.142 331 T CB -0.525 68.389 68.868 0.077 0.000 0.866 331 T HN 0.428 nan 8.240 nan 0.000 0.444 332 A N 1.481 124.385 122.820 0.141 0.000 1.902 332 A HA 0.135 4.454 4.320 -0.001 0.000 0.217 332 A C 2.645 180.320 177.584 0.151 0.000 1.181 332 A CA 1.854 54.021 52.037 0.217 0.000 0.623 332 A CB -1.114 17.887 19.000 0.000 0.000 0.818 332 A HN 0.503 nan 8.150 nan 0.000 0.443 333 A N -0.175 122.682 122.820 0.061 0.000 1.902 333 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 333 A C 2.236 179.855 177.584 0.058 0.000 1.181 333 A CA 1.619 53.677 52.037 0.035 0.000 0.623 333 A CB -0.453 18.562 19.000 0.024 0.000 0.818 333 A HN 0.566 nan 8.150 nan 0.000 0.443 334 R N -0.816 119.727 120.500 0.072 0.000 2.092 334 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 334 R C 2.333 178.686 176.300 0.088 0.000 1.119 334 R CA 1.355 57.494 56.100 0.065 0.000 0.970 334 R CB -0.235 30.098 30.300 0.055 0.000 0.864 334 R HN 0.481 nan 8.270 nan 0.000 0.440 335 R N 0.341 120.924 120.500 0.138 0.000 2.148 335 R HA -0.007 4.332 4.340 -0.001 0.000 0.223 335 R C 1.985 178.435 176.300 0.250 0.000 1.088 335 R CA 0.797 56.993 56.100 0.161 0.000 0.985 335 R CB -0.099 30.284 30.300 0.137 0.000 0.880 335 R HN 0.211 nan 8.270 nan 0.000 0.451 336 L N 0.618 121.983 121.223 0.235 0.000 2.395 336 L HA 0.097 4.437 4.340 -0.001 0.000 0.218 336 L C 1.001 177.911 176.870 0.067 0.000 1.130 336 L CA -0.312 54.653 54.840 0.208 0.000 0.826 336 L CB -0.195 41.914 42.059 0.085 0.000 0.941 336 L HN 0.071 nan 8.230 nan 0.000 0.451 337 A N 1.520 124.361 122.820 0.036 0.000 2.511 337 A HA 0.298 4.618 4.320 -0.001 0.000 0.242 337 A C -2.079 175.519 177.584 0.023 0.000 1.069 337 A CA -0.866 51.164 52.037 -0.011 0.000 0.763 337 A CB -0.505 18.500 19.000 0.009 0.000 1.001 337 A HN -0.017 nan 8.150 nan 0.000 0.498 338 P HA 0.538 nan 4.420 nan 0.000 0.279 338 P C -0.496 176.584 177.300 -0.367 0.000 1.239 338 P CA 0.105 63.193 63.100 -0.021 0.000 0.789 338 P CB 1.620 33.436 31.700 0.194 0.000 0.933 339 A N 1.959 124.303 122.820 -0.793 0.000 2.568 339 A HA 0.862 5.182 4.320 -0.001 0.000 0.291 339 A C -0.717 175.933 177.584 -1.556 0.000 1.159 339 A CA -0.373 50.748 52.037 -1.526 0.000 0.679 339 A CB 1.381 19.972 19.000 -0.681 0.000 1.285 339 A HN 0.621 nan 8.150 nan 0.000 0.428 340 G N -1.681 106.142 108.800 -1.630 0.000 2.605 340 G HA2 0.913 4.872 3.960 -0.001 0.000 0.296 340 G HA3 0.913 4.872 3.960 -0.001 0.000 0.296 340 G C -0.661 174.001 174.900 -0.396 0.000 1.304 340 G CA 0.052 44.743 45.100 -0.681 0.000 0.941 340 G HN 2.095 nan 8.290 nan 0.000 0.475 341 A N -0.435 122.244 122.820 -0.234 0.000 2.599 341 A HA 0.777 5.096 4.320 -0.001 0.000 0.290 341 A C -1.468 175.832 177.584 -0.474 0.000 1.101 341 A CA -0.608 51.195 52.037 -0.389 0.000 0.674 341 A CB 0.969 19.625 19.000 -0.572 0.000 1.277 341 A HN 0.714 nan 8.150 nan 0.000 0.419 342 I N 0.590 120.828 120.570 -0.554 0.000 2.412 342 I HA 0.416 4.585 4.170 -0.001 0.000 0.296 342 I C -1.476 174.132 176.117 -0.848 0.000 0.987 342 I CA -0.432 60.527 61.300 -0.567 0.000 1.180 342 I CB 1.543 39.203 38.000 -0.566 0.000 1.340 342 I HN 0.603 nan 8.210 nan 0.000 0.455 343 Y N 5.548 125.630 120.300 -0.362 0.000 2.388 343 Y HA 0.369 4.918 4.550 -0.001 0.000 0.328 343 Y C -0.488 175.238 175.900 -0.291 0.000 0.963 343 Y CA -0.690 57.270 58.100 -0.232 0.000 1.240 343 Y CB 0.649 39.075 38.460 -0.056 0.000 1.118 343 Y HN 0.325 nan 8.280 nan 0.000 0.484 344 F N 2.611 122.617 119.950 0.092 0.000 2.566 344 F HA 0.418 4.945 4.527 -0.001 0.000 0.349 344 F C 0.885 176.777 175.800 0.152 0.000 1.245 344 F CA -0.217 57.810 58.000 0.046 0.000 1.169 344 F CB 0.398 39.343 39.000 -0.093 0.000 1.470 344 F HN 0.678 nan 8.300 nan 0.000 0.634 345 A N 2.492 125.503 122.820 0.318 0.000 2.635 345 A HA 0.538 4.858 4.320 -0.001 0.000 0.279 345 A C 0.163 178.056 177.584 0.514 0.000 1.122 345 A CA -0.142 52.115 52.037 0.367 0.000 0.965 345 A CB 0.008 19.159 19.000 0.253 0.000 1.221 345 A HN 0.484 nan 8.150 nan 0.000 0.566 346 M N -0.130 119.671 119.600 0.335 0.000 2.762 346 M HA 0.455 4.934 4.480 -0.001 0.000 0.306 346 M C -0.782 175.238 176.300 -0.468 0.000 1.223 346 M CA -0.488 54.850 55.300 0.063 0.000 0.896 346 M CB 1.212 33.822 32.600 0.017 0.000 1.684 346 M HN 0.102 nan 8.290 nan 0.000 0.491 347 D N 0.474 120.225 120.400 -1.081 0.000 2.329 347 D HA 0.117 4.757 4.640 -0.001 0.000 0.232 347 D C 0.590 176.597 176.300 -0.488 0.000 1.088 347 D CA 0.046 53.349 54.000 -1.161 0.000 0.835 347 D CB 0.944 40.851 40.800 -1.489 0.000 1.078 347 D HN 0.734 nan 8.370 nan 0.000 0.495 348 E N 2.647 122.678 120.200 -0.283 0.000 2.130 348 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 348 E C 0.456 176.957 176.600 -0.166 0.000 0.998 348 E CA 1.164 57.490 56.400 -0.124 0.000 0.806 348 E CB 0.337 30.017 29.700 -0.033 0.000 0.738 348 E HN 0.510 nan 8.360 nan 0.000 0.459 349 D N 0.133 120.415 120.400 -0.197 0.000 2.178 349 D HA -0.173 4.466 4.640 -0.001 0.000 0.201 349 D C 1.755 177.955 176.300 -0.167 0.000 0.980 349 D CA 0.988 54.887 54.000 -0.170 0.000 0.842 349 D CB -0.138 40.581 40.800 -0.135 0.000 0.948 349 D HN 0.392 nan 8.370 nan 0.000 0.472 350 E N 0.416 120.497 120.200 -0.199 0.000 2.107 350 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 350 E C 2.062 178.583 176.600 -0.131 0.000 0.982 350 E CA 0.454 56.757 56.400 -0.161 0.000 0.809 350 E CB 0.218 29.797 29.700 -0.202 0.000 0.756 350 E HN -0.056 nan 8.360 nan 0.000 0.459 351 V N 1.563 121.396 119.914 -0.135 0.000 2.332 351 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 351 V C 2.235 178.308 176.094 -0.035 0.000 1.055 351 V CA 2.183 64.444 62.300 -0.066 0.000 1.038 351 V CB -0.470 31.355 31.823 0.003 0.000 0.651 351 V HN 0.251 nan 8.190 nan 0.000 0.450 352 K N -0.313 119.988 120.400 -0.164 0.000 2.057 352 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 352 K C 2.400 178.953 176.600 -0.079 0.000 1.049 352 K CA 1.302 57.425 56.287 -0.275 0.000 0.931 352 K CB -0.242 31.988 32.500 -0.450 0.000 0.714 352 K HN 0.403 nan 8.250 nan 0.000 0.440 353 R N 0.608 121.064 120.500 -0.074 0.000 2.092 353 R HA -0.047 4.293 4.340 -0.001 0.000 0.231 353 R C 2.321 178.631 176.300 0.017 0.000 1.119 353 R CA 1.147 57.226 56.100 -0.035 0.000 0.970 353 R CB -0.341 29.935 30.300 -0.040 0.000 0.864 353 R HN 0.210 nan 8.270 nan 0.000 0.440 354 I N 0.062 120.652 120.570 0.032 0.000 2.226 354 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 354 I C 2.222 178.423 176.117 0.139 0.000 1.100 354 I CA 1.051 62.399 61.300 0.081 0.000 1.374 354 I CB -0.280 37.742 38.000 0.037 0.000 1.057 354 I HN 0.062 nan 8.210 nan 0.000 0.413 355 F N 1.928 121.882 119.950 0.006 0.000 2.216 355 F HA -0.231 4.295 4.527 -0.001 0.000 0.300 355 F C 2.444 178.264 175.800 0.034 0.000 1.085 355 F CA 1.611 59.629 58.000 0.031 0.000 1.326 355 F CB -0.498 38.542 39.000 0.066 0.000 1.027 355 F HN 0.095 nan 8.300 nan 0.000 0.497 356 Q N -0.836 118.870 119.800 -0.156 0.000 2.364 356 Q HA -0.174 4.166 4.340 -0.001 0.000 0.207 356 Q C 0.654 176.543 176.000 -0.186 0.000 0.970 356 Q CA 0.371 56.024 55.803 -0.250 0.000 0.888 356 Q CB -0.524 28.140 28.738 -0.124 0.000 0.951 356 Q HN 0.377 nan 8.270 nan 0.000 0.469 357 H N 1.215 120.193 119.070 -0.154 0.000 3.001 357 H HA -0.027 4.529 4.556 -0.001 0.000 0.334 357 H C -1.861 173.385 175.328 -0.137 0.000 1.034 357 H CA -1.171 54.814 56.048 -0.106 0.000 1.420 357 H CB 1.180 30.912 29.762 -0.051 0.000 1.405 357 H HN -0.082 nan 8.280 nan 0.000 0.593 358 P HA -0.122 nan 4.420 nan 0.000 0.218 358 P C 0.699 177.996 177.300 -0.004 0.000 1.146 358 P CA 1.285 64.261 63.100 -0.206 0.000 0.813 358 P CB 0.232 31.768 31.700 -0.273 0.000 0.778 359 C N -2.728 116.734 119.300 0.269 0.000 2.778 359 C HA 0.324 4.784 4.460 -0.001 0.000 0.294 359 C C 1.015 176.078 174.990 0.122 0.000 1.331 359 C CA -0.763 58.363 59.018 0.181 0.000 1.741 359 C CB -1.714 26.128 27.740 0.171 0.000 2.106 359 C HN 0.253 nan 8.230 nan 0.000 0.603 360 C N 2.901 122.270 119.300 0.115 0.000 2.325 360 C HA 0.640 5.099 4.460 -0.001 0.000 0.347 360 C C 0.356 175.417 174.990 0.118 0.000 1.263 360 C CA -0.161 58.909 59.018 0.087 0.000 1.806 360 C CB -1.199 26.596 27.740 0.092 0.000 2.405 360 C HN 0.590 nan 8.230 nan 0.000 0.537 361 M N 4.251 123.945 119.600 0.157 0.000 2.705 361 M HA 0.534 5.014 4.480 -0.001 0.000 0.272 361 M C -0.477 175.936 176.300 0.189 0.000 1.172 361 M CA -0.718 54.701 55.300 0.198 0.000 0.901 361 M CB 1.114 33.844 32.600 0.217 0.000 1.516 361 M HN 0.262 nan 8.290 nan 0.000 0.530 362 V N 0.435 120.415 119.914 0.109 0.000 2.417 362 V HA 0.715 4.835 4.120 -0.001 0.000 0.291 362 V C 0.054 176.140 176.094 -0.014 0.000 1.024 362 V CA -0.597 61.616 62.300 -0.145 0.000 0.861 362 V CB 1.250 32.645 31.823 -0.713 0.000 0.985 362 V HN 0.938 nan 8.190 nan 0.000 0.436 363 G N 1.714 110.534 108.800 0.034 0.000 2.626 363 G HA2 0.454 4.414 3.960 -0.001 0.000 0.304 363 G HA3 0.454 4.414 3.960 -0.001 0.000 0.304 363 G C 0.642 175.679 174.900 0.228 0.000 1.385 363 G CA 0.286 45.520 45.100 0.224 0.000 0.957 363 G HN 0.797 nan 8.290 nan 0.000 0.504 364 S N 1.928 117.799 115.700 0.285 0.000 2.387 364 S HA -0.076 4.393 4.470 -0.001 0.000 0.226 364 S C 1.202 175.883 174.600 0.136 0.000 1.026 364 S CA 1.254 59.585 58.200 0.219 0.000 0.972 364 S CB -0.134 63.229 63.200 0.271 0.000 0.814 364 S HN 0.756 nan 8.310 nan 0.000 0.477 365 D N 1.336 121.889 120.400 0.255 0.000 2.772 365 D HA -0.100 4.539 4.640 -0.001 0.000 0.233 365 D C 0.234 176.613 176.300 0.131 0.000 1.143 365 D CA 0.983 55.167 54.000 0.307 0.000 0.700 365 D CB -1.633 39.306 40.800 0.232 0.000 1.076 365 D HN 0.704 nan 8.370 nan 0.000 0.430 366 G N 0.128 108.990 108.800 0.104 0.000 2.441 366 G HA2 0.425 4.385 3.960 -0.001 0.000 0.243 366 G HA3 0.425 4.385 3.960 -0.001 0.000 0.243 366 G C 0.366 175.289 174.900 0.039 0.000 1.281 366 G CA -0.470 44.639 45.100 0.015 0.000 0.854 366 G HN 0.322 nan 8.290 nan 0.000 0.560 367 L N 4.505 125.700 121.223 -0.046 0.000 2.435 367 L HA 0.247 4.587 4.340 -0.001 0.000 0.253 367 L C -1.165 175.588 176.870 -0.195 0.000 1.087 367 L CA -1.669 53.128 54.840 -0.071 0.000 0.950 367 L CB 2.202 44.240 42.059 -0.034 0.000 1.304 367 L HN 0.472 nan 8.230 nan 0.000 0.453 368 P HA -0.197 nan 4.420 nan 0.000 0.220 368 P C 0.554 177.610 177.300 -0.408 0.000 1.144 368 P CA 1.497 64.252 63.100 -0.575 0.000 0.800 368 P CB 0.083 31.311 31.700 -0.787 0.000 0.772 369 N N -1.388 117.128 118.700 -0.307 0.000 2.299 369 N HA -0.005 4.735 4.740 -0.001 0.000 0.187 369 N C -0.004 175.337 175.510 -0.281 0.000 1.099 369 N CA -0.089 52.789 53.050 -0.287 0.000 0.867 369 N CB -0.846 37.456 38.487 -0.308 0.000 0.974 369 N HN -0.086 nan 8.380 nan 0.000 0.477 370 D N 0.407 120.667 120.400 -0.234 0.000 2.443 370 D HA 0.177 4.817 4.640 -0.001 0.000 0.239 370 D C 1.053 177.333 176.300 -0.032 0.000 1.136 370 D CA 0.201 54.132 54.000 -0.115 0.000 0.879 370 D CB 1.143 41.964 40.800 0.034 0.000 1.195 370 D HN 0.316 nan 8.370 nan 0.000 0.443 371 A N 3.219 126.071 122.820 0.054 0.000 1.898 371 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 371 A C 1.462 179.070 177.584 0.040 0.000 1.181 371 A CA 1.263 53.328 52.037 0.048 0.000 0.620 371 A CB 0.027 19.083 19.000 0.094 0.000 0.819 371 A HN 0.335 nan 8.150 nan 0.000 0.442 372 R N 0.115 120.656 120.500 0.067 0.000 2.585 372 R HA 0.300 4.639 4.340 -0.001 0.000 0.278 372 R C -3.019 173.319 176.300 0.064 0.000 1.663 372 R CA -2.626 53.501 56.100 0.045 0.000 1.592 372 R CB 0.743 31.063 30.300 0.033 0.000 1.200 372 R HN 0.219 nan 8.270 nan 0.000 0.611 373 P HA 0.011 nan 4.420 nan 0.000 0.272 373 P C -0.700 176.654 177.300 0.089 0.000 1.240 373 P CA -0.217 62.923 63.100 0.067 0.000 0.791 373 P CB 0.691 32.410 31.700 0.031 0.000 0.978 374 H N 2.860 121.907 119.070 -0.038 0.000 2.848 374 H HA 0.087 4.643 4.556 -0.000 0.000 0.341 374 H C -1.003 174.190 175.328 -0.225 0.000 1.060 374 H CA -1.416 54.575 56.048 -0.095 0.000 1.444 374 H CB 0.699 30.363 29.762 -0.163 0.000 1.446 374 H HN 0.247 nan 8.280 nan 0.000 0.583 375 P HA -0.243 nan 4.420 nan 0.000 0.223 375 P C 0.854 178.074 177.300 -0.134 0.000 1.144 375 P CA 1.183 64.173 63.100 -0.182 0.000 0.783 375 P CB -0.030 31.415 31.700 -0.425 0.000 0.771 376 R N -0.062 120.232 120.500 -0.345 0.000 2.200 376 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 376 R C 2.153 178.427 176.300 -0.044 0.000 1.127 376 R CA 0.933 56.812 56.100 -0.367 0.000 0.989 376 R CB -1.609 28.201 30.300 -0.816 0.000 0.869 376 R HN 0.153 nan 8.270 nan 0.000 0.459 377 L N -0.011 121.203 121.223 -0.015 0.000 2.042 377 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 377 L C 1.185 178.112 176.870 0.095 0.000 1.076 377 L CA 1.746 56.608 54.840 0.037 0.000 0.749 377 L CB -0.282 41.791 42.059 0.025 0.000 0.893 377 L HN 0.230 nan 8.230 nan 0.000 0.432 378 W N -1.897 119.448 121.300 0.075 0.000 3.058 378 W HA 0.402 5.062 4.660 -0.000 0.000 0.306 378 W C 1.859 178.440 176.519 0.103 0.000 1.188 378 W CA 0.378 57.795 57.345 0.120 0.000 1.651 378 W CB 0.199 29.709 29.460 0.082 0.000 1.051 378 W HN 0.164 nan 8.180 nan 0.000 0.592 379 G N -1.354 107.628 108.800 0.303 0.000 3.695 379 G HA2 0.063 4.023 3.960 -0.001 0.000 0.277 379 G HA3 0.063 4.023 3.960 -0.001 0.000 0.277 379 G C 1.127 176.136 174.900 0.183 0.000 1.001 379 G CA 0.218 45.456 45.100 0.230 0.000 0.837 379 G HN -0.066 nan 8.290 nan 0.000 0.492 380 S N 0.814 116.648 115.700 0.223 0.000 2.359 380 S HA -0.129 4.340 4.470 -0.001 0.000 0.222 380 S C 1.863 176.353 174.600 -0.183 0.000 1.038 380 S CA 1.254 59.502 58.200 0.081 0.000 1.051 380 S CB -0.390 62.868 63.200 0.096 0.000 0.944 380 S HN 0.352 nan 8.310 nan 0.000 0.433 381 F N 1.832 121.713 119.950 -0.115 0.000 2.146 381 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 381 F C 2.972 178.596 175.800 -0.294 0.000 1.096 381 F CA 1.368 59.217 58.000 -0.251 0.000 1.275 381 F CB -0.940 37.938 39.000 -0.203 0.000 1.008 381 F HN 0.292 nan 8.300 nan 0.000 0.480 382 T N -1.955 112.592 114.554 -0.011 0.000 2.995 382 T HA -0.118 4.231 4.350 -0.001 0.000 0.269 382 T C 1.942 176.549 174.700 -0.154 0.000 1.091 382 T CA 0.730 62.782 62.100 -0.078 0.000 1.128 382 T CB -0.359 68.505 68.868 -0.007 0.000 0.891 382 T HN 0.220 nan 8.240 nan 0.000 0.492 383 R N 0.651 121.022 120.500 -0.216 0.000 2.115 383 R HA 0.048 4.388 4.340 -0.001 0.000 0.226 383 R C 2.179 178.188 176.300 -0.484 0.000 1.100 383 R CA 0.783 56.681 56.100 -0.337 0.000 0.980 383 R CB -0.414 29.605 30.300 -0.469 0.000 0.875 383 R HN 0.312 nan 8.270 nan 0.000 0.445 384 V N 1.324 120.898 119.914 -0.567 0.000 2.307 384 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 384 V C 2.298 178.215 176.094 -0.294 0.000 1.045 384 V CA 1.626 63.551 62.300 -0.625 0.000 1.024 384 V CB -0.340 31.051 31.823 -0.721 0.000 0.651 384 V HN 0.335 nan 8.190 nan 0.000 0.449 385 L N 0.142 121.214 121.223 -0.252 0.000 2.083 385 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 385 L C 2.502 179.338 176.870 -0.058 0.000 1.083 385 L CA 1.745 56.501 54.840 -0.140 0.000 0.752 385 L CB -0.985 40.942 42.059 -0.220 0.000 0.899 385 L HN 0.478 nan 8.230 nan 0.000 0.433 386 G N -0.792 107.959 108.800 -0.082 0.000 2.437 386 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.212 386 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.212 386 G C 1.771 176.663 174.900 -0.013 0.000 1.174 386 G CA 0.147 45.229 45.100 -0.031 0.000 0.811 386 G HN 0.156 nan 8.290 nan 0.000 0.537 387 R N -1.420 119.052 120.500 -0.047 0.000 2.075 387 R HA 0.084 4.424 4.340 -0.001 0.000 0.220 387 R C 2.187 178.609 176.300 0.203 0.000 1.118 387 R CA 0.597 56.719 56.100 0.036 0.000 0.986 387 R CB -0.167 30.113 30.300 -0.032 0.000 0.884 387 R HN 0.325 nan 8.270 nan 0.000 0.439 388 Y N -0.291 119.937 120.300 -0.120 0.000 2.365 388 Y HA 0.006 4.555 4.550 -0.001 0.000 0.293 388 Y C 2.108 178.008 175.900 -0.000 0.000 1.119 388 Y CA 0.291 58.344 58.100 -0.078 0.000 1.203 388 Y CB -0.208 38.147 38.460 -0.175 0.000 1.026 388 Y HN -0.113 nan 8.280 nan 0.000 0.549 389 V N -0.524 119.484 119.914 0.157 0.000 2.398 389 V HA -0.065 4.055 4.120 -0.001 0.000 0.236 389 V C 2.410 178.552 176.094 0.080 0.000 1.054 389 V CA 1.326 63.697 62.300 0.119 0.000 1.060 389 V CB -0.502 31.386 31.823 0.107 0.000 0.707 389 V HN 0.064 nan 8.190 nan 0.000 0.480 390 R N 0.069 120.609 120.500 0.066 0.000 2.073 390 R HA -0.174 4.166 4.340 -0.001 0.000 0.234 390 R C 2.237 178.563 176.300 0.042 0.000 1.134 390 R CA 2.094 58.226 56.100 0.053 0.000 0.952 390 R CB -0.093 30.238 30.300 0.052 0.000 0.850 390 R HN 0.624 nan 8.270 nan 0.000 0.433 391 E N -0.682 119.545 120.200 0.044 0.000 2.033 391 E HA -0.068 4.282 4.350 -0.001 0.000 0.189 391 E C 1.717 178.335 176.600 0.030 0.000 0.979 391 E CA 1.030 57.452 56.400 0.036 0.000 0.802 391 E CB 0.016 29.739 29.700 0.037 0.000 0.763 391 E HN 0.422 nan 8.360 nan 0.000 0.449 392 A N 0.458 123.300 122.820 0.037 0.000 2.178 392 A HA 0.033 4.353 4.320 -0.001 0.000 0.211 392 A C 0.441 178.028 177.584 0.005 0.000 1.157 392 A CA -0.076 51.964 52.037 0.006 0.000 0.780 392 A CB 0.134 19.114 19.000 -0.033 0.000 0.828 392 A HN 0.049 nan 8.150 nan 0.000 0.476 393 R N -1.229 119.289 120.500 0.029 0.000 3.416 393 R HA -0.185 4.154 4.340 -0.001 0.000 0.263 393 R C 0.547 176.859 176.300 0.020 0.000 1.053 393 R CA 0.798 56.914 56.100 0.028 0.000 0.705 393 R CB -2.856 27.452 30.300 0.013 0.000 1.124 393 R HN 0.609 nan 8.270 nan 0.000 0.444 394 L N -1.018 120.226 121.223 0.035 0.000 2.201 394 L HA 0.002 4.342 4.340 -0.001 0.000 0.212 394 L C 1.511 178.392 176.870 0.018 0.000 1.105 394 L CA 1.620 56.472 54.840 0.020 0.000 0.775 394 L CB -0.145 41.945 42.059 0.052 0.000 0.913 394 L HN 0.426 nan 8.230 nan 0.000 0.440 395 M N -3.176 116.453 119.600 0.048 0.000 3.012 395 M HA 0.367 4.846 4.480 -0.001 0.000 0.272 395 M C -0.412 175.919 176.300 0.051 0.000 1.187 395 M CA -0.883 54.431 55.300 0.024 0.000 0.813 395 M CB 1.525 34.118 32.600 -0.012 0.000 1.626 395 M HN -0.175 nan 8.290 nan 0.000 0.507 396 T N -0.718 113.860 114.554 0.040 0.000 2.828 396 T HA 0.342 4.692 4.350 -0.001 0.000 0.290 396 T C 0.759 175.510 174.700 0.086 0.000 1.019 396 T CA -0.644 61.488 62.100 0.054 0.000 1.031 396 T CB 1.113 70.006 68.868 0.042 0.000 1.001 396 T HN 0.697 nan 8.240 nan 0.000 0.531 397 L N 0.692 121.975 121.223 0.101 0.000 2.083 397 L HA 0.040 4.380 4.340 -0.001 0.000 0.209 397 L C 2.471 179.437 176.870 0.159 0.000 1.083 397 L CA 1.838 56.767 54.840 0.149 0.000 0.752 397 L CB -1.224 40.941 42.059 0.176 0.000 0.899 397 L HN 0.829 nan 8.230 nan 0.000 0.433 398 E N -0.647 119.628 120.200 0.125 0.000 2.077 398 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 398 E C 2.228 178.893 176.600 0.109 0.000 0.989 398 E CA 1.580 58.055 56.400 0.124 0.000 0.800 398 E CB -0.198 29.559 29.700 0.095 0.000 0.746 398 E HN 0.615 nan 8.360 nan 0.000 0.452 399 Q N -0.289 119.559 119.800 0.080 0.000 2.079 399 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 399 Q C 2.239 178.281 176.000 0.069 0.000 0.974 399 Q CA 1.239 57.073 55.803 0.051 0.000 0.840 399 Q CB -0.150 28.594 28.738 0.011 0.000 0.898 399 Q HN 0.302 nan 8.270 nan 0.000 0.430 400 A N 0.406 123.292 122.820 0.109 0.000 1.902 400 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 400 A C 2.327 179.996 177.584 0.142 0.000 1.181 400 A CA 1.255 53.389 52.037 0.162 0.000 0.623 400 A CB -0.716 18.396 19.000 0.186 0.000 0.818 400 A HN 0.208 nan 8.150 nan 0.000 0.443 401 V N -0.033 119.978 119.914 0.162 0.000 2.392 401 V HA -0.269 3.850 4.120 -0.001 0.000 0.249 401 V C 3.030 179.247 176.094 0.206 0.000 1.059 401 V CA 1.889 64.319 62.300 0.217 0.000 1.051 401 V CB -1.204 30.808 31.823 0.314 0.000 0.658 401 V HN 0.621 nan 8.190 nan 0.000 0.455 402 A N -0.037 122.879 122.820 0.161 0.000 1.933 402 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 402 A C 2.282 179.951 177.584 0.141 0.000 1.175 402 A CA 1.392 53.512 52.037 0.139 0.000 0.628 402 A CB -0.416 18.642 19.000 0.097 0.000 0.814 402 A HN 0.414 nan 8.150 nan 0.000 0.444 403 R N -0.637 119.940 120.500 0.128 0.000 2.148 403 R HA 0.025 4.364 4.340 -0.001 0.000 0.227 403 R C 1.619 178.039 176.300 0.200 0.000 1.103 403 R CA 1.320 57.504 56.100 0.140 0.000 0.983 403 R CB -0.636 29.747 30.300 0.138 0.000 0.874 403 R HN 0.665 nan 8.270 nan 0.000 0.451 404 M N -0.610 119.118 119.600 0.213 0.000 2.441 404 M HA 0.029 4.508 4.480 -0.001 0.000 0.244 404 M C 1.259 177.761 176.300 0.335 0.000 1.122 404 M CA 0.881 56.360 55.300 0.299 0.000 1.041 404 M CB 0.449 33.155 32.600 0.176 0.000 1.438 404 M HN 0.159 nan 8.290 nan 0.000 0.484 405 T N -3.169 111.553 114.554 0.280 0.000 3.431 405 T HA 0.373 4.723 4.350 -0.001 0.000 0.207 405 T C 1.850 176.683 174.700 0.221 0.000 0.979 405 T CA 0.402 62.659 62.100 0.261 0.000 1.141 405 T CB -0.500 68.525 68.868 0.262 0.000 1.278 405 T HN 0.064 nan 8.240 nan 0.000 0.334 406 A N 1.370 124.301 122.820 0.185 0.000 1.908 406 A HA 0.125 4.444 4.320 -0.001 0.000 0.218 406 A C 2.373 180.045 177.584 0.146 0.000 1.181 406 A CA 1.878 54.008 52.037 0.155 0.000 0.627 406 A CB -1.143 17.930 19.000 0.123 0.000 0.818 406 A HN 0.486 nan 8.150 nan 0.000 0.445 407 L N 0.355 121.663 121.223 0.142 0.000 2.017 407 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 407 L C -0.745 176.221 176.870 0.160 0.000 1.073 407 L CA 2.367 57.281 54.840 0.123 0.000 0.745 407 L CB -1.252 40.874 42.059 0.112 0.000 0.894 407 L HN 0.148 nan 8.230 nan 0.000 0.432 408 P HA -0.135 nan 4.420 nan 0.000 0.215 408 P C 1.560 179.034 177.300 0.290 0.000 1.153 408 P CA 1.990 65.288 63.100 0.330 0.000 0.853 408 P CB -0.188 31.709 31.700 0.329 0.000 0.788 409 A N -0.176 122.803 122.820 0.266 0.000 1.933 409 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 409 A C 2.386 180.014 177.584 0.073 0.000 1.175 409 A CA 1.983 54.166 52.037 0.244 0.000 0.628 409 A CB -1.038 18.133 19.000 0.286 0.000 0.814 409 A HN 0.019 nan 8.150 nan 0.000 0.444 410 R N -0.172 120.372 120.500 0.074 0.000 2.075 410 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 410 R C 1.748 178.016 176.300 -0.055 0.000 1.126 410 R CA 2.095 58.206 56.100 0.018 0.000 0.963 410 R CB -1.063 29.255 30.300 0.031 0.000 0.858 410 R HN 0.225 nan 8.270 nan 0.000 0.435 411 V N 0.085 119.959 119.914 -0.067 0.000 2.358 411 V HA -0.123 3.997 4.120 -0.001 0.000 0.246 411 V C 1.613 177.435 176.094 -0.453 0.000 1.047 411 V CA 1.748 63.908 62.300 -0.232 0.000 1.035 411 V CB -0.504 31.178 31.823 -0.235 0.000 0.658 411 V HN 0.225 nan 8.190 nan 0.000 0.452 412 F N 0.267 120.009 119.950 -0.348 0.000 2.776 412 F HA 0.422 4.949 4.527 -0.001 0.000 0.300 412 F C 1.760 177.177 175.800 -0.638 0.000 1.116 412 F CA 0.726 58.379 58.000 -0.578 0.000 1.375 412 F CB -0.060 38.355 39.000 -0.974 0.000 1.109 412 F HN 0.267 nan 8.300 nan 0.000 0.585 413 G N 0.441 109.059 108.800 -0.304 0.000 2.212 413 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.255 413 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.255 413 G C -0.254 174.654 174.900 0.012 0.000 1.062 413 G CA -0.589 44.438 45.100 -0.122 0.000 0.815 413 G HN 0.105 nan 8.290 nan 0.000 0.497 414 F N 1.268 121.297 119.950 0.131 0.000 2.405 414 F HA 0.649 5.176 4.527 -0.001 0.000 0.358 414 F C 0.955 176.818 175.800 0.105 0.000 1.151 414 F CA -1.107 56.956 58.000 0.105 0.000 1.161 414 F CB 0.594 39.650 39.000 0.093 0.000 1.245 414 F HN 0.418 nan 8.300 nan 0.000 0.545 415 A N 2.837 125.831 122.820 0.289 0.000 2.388 415 A HA 0.459 4.779 4.320 -0.001 0.000 0.257 415 A C 0.853 178.576 177.584 0.232 0.000 1.095 415 A CA -0.328 51.832 52.037 0.205 0.000 0.791 415 A CB 0.142 19.235 19.000 0.156 0.000 1.029 415 A HN 0.750 nan 8.150 nan 0.000 0.489 416 E N -0.283 120.018 120.200 0.168 0.000 2.791 416 E HA -0.180 4.169 4.350 -0.001 0.000 0.271 416 E C -0.205 176.539 176.600 0.239 0.000 1.044 416 E CA 1.437 57.923 56.400 0.143 0.000 0.814 416 E CB -1.485 28.245 29.700 0.051 0.000 1.400 416 E HN 0.786 nan 8.360 nan 0.000 0.423 417 R N -1.401 119.233 120.500 0.225 0.000 2.774 417 R HA 0.526 4.866 4.340 -0.001 0.000 0.272 417 R C 0.931 177.342 176.300 0.184 0.000 1.000 417 R CA -0.318 55.901 56.100 0.199 0.000 0.906 417 R CB 1.675 32.065 30.300 0.151 0.000 1.227 417 R HN 0.103 nan 8.270 nan 0.000 0.468 418 G N -0.155 108.737 108.800 0.153 0.000 2.179 418 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 418 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 418 G C -0.261 174.726 174.900 0.146 0.000 0.977 418 G CA 0.316 45.516 45.100 0.167 0.000 0.641 418 G HN 0.731 nan 8.290 nan 0.000 0.533 419 V N -2.794 117.192 119.914 0.120 0.000 3.012 419 V HA 0.772 4.892 4.120 -0.001 0.000 0.307 419 V C 0.066 176.207 176.094 0.078 0.000 1.166 419 V CA -1.502 60.858 62.300 0.101 0.000 0.974 419 V CB 2.063 33.940 31.823 0.089 0.000 1.040 419 V HN 0.327 nan 8.190 nan 0.000 0.428 420 L N 4.524 125.790 121.223 0.071 0.000 2.315 420 L HA 0.612 4.952 4.340 -0.001 0.000 0.278 420 L C 0.047 176.939 176.870 0.036 0.000 1.088 420 L CA -0.005 54.865 54.840 0.049 0.000 0.899 420 L CB 0.507 42.598 42.059 0.053 0.000 1.277 420 L HN 0.983 nan 8.230 nan 0.000 0.431 421 Q N 2.717 122.530 119.800 0.022 0.000 2.418 421 Q HA 0.597 4.937 4.340 -0.001 0.000 0.282 421 Q C -2.915 173.078 176.000 -0.011 0.000 1.044 421 Q CA -2.404 53.405 55.803 0.010 0.000 0.813 421 Q CB 1.950 30.698 28.738 0.015 0.000 1.428 421 Q HN 0.100 nan 8.270 nan 0.000 0.402 422 P HA 0.070 nan 4.420 nan 0.000 0.265 422 P C 0.612 177.876 177.300 -0.060 0.000 1.193 422 P CA 1.853 64.932 63.100 -0.036 0.000 0.765 422 P CB 0.559 32.243 31.700 -0.027 0.000 0.823 423 G N 1.476 110.218 108.800 -0.097 0.000 2.284 423 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.230 423 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.230 423 G C 0.473 175.240 174.900 -0.220 0.000 1.021 423 G CA 0.031 45.040 45.100 -0.151 0.000 0.619 423 G HN 0.849 nan 8.290 nan 0.000 0.510 424 A N -0.217 122.517 122.820 -0.144 0.000 2.332 424 A HA 0.561 4.881 4.320 -0.001 0.000 0.258 424 A C 0.260 177.753 177.584 -0.152 0.000 1.087 424 A CA 0.010 51.970 52.037 -0.128 0.000 0.802 424 A CB 0.196 19.193 19.000 -0.005 0.000 1.042 424 A HN 0.691 nan 8.150 nan 0.000 0.489 425 W N -0.027 121.250 121.300 -0.037 0.000 2.193 425 W HA 0.359 5.018 4.660 -0.001 0.000 0.338 425 W C 0.904 177.380 176.519 -0.072 0.000 1.310 425 W CA 0.508 57.816 57.345 -0.062 0.000 1.243 425 W CB 0.652 30.062 29.460 -0.082 0.000 1.165 425 W HN 0.750 nan 8.180 nan 0.000 0.566 426 A N 3.436 126.370 122.820 0.190 0.000 3.077 426 A HA 0.085 4.405 4.320 -0.001 0.000 0.255 426 A C -0.538 177.043 177.584 -0.005 0.000 1.728 426 A CA -0.241 51.823 52.037 0.045 0.000 1.383 426 A CB -0.928 18.063 19.000 -0.016 0.000 1.097 426 A HN 0.451 nan 8.150 nan 0.000 0.634 427 D N 0.783 121.188 120.400 0.009 0.000 2.347 427 D HA 0.444 5.084 4.640 -0.001 0.000 0.235 427 D C -0.401 175.860 176.300 -0.066 0.000 1.149 427 D CA 0.394 54.358 54.000 -0.060 0.000 0.850 427 D CB 1.498 42.257 40.800 -0.069 0.000 1.061 427 D HN 0.124 nan 8.370 nan 0.000 0.487 428 V N 2.039 121.896 119.914 -0.094 0.000 2.925 428 V HA 0.489 4.609 4.120 -0.001 0.000 0.311 428 V C -0.413 175.634 176.094 -0.079 0.000 1.104 428 V CA -0.978 61.279 62.300 -0.071 0.000 0.954 428 V CB 2.672 34.464 31.823 -0.051 0.000 1.022 428 V HN 0.230 nan 8.190 nan 0.000 0.427 429 V N 4.538 124.397 119.914 -0.093 0.000 2.638 429 V HA 0.737 4.857 4.120 -0.001 0.000 0.306 429 V C -1.055 175.077 176.094 0.063 0.000 1.052 429 V CA -0.306 61.933 62.300 -0.102 0.000 0.885 429 V CB 2.239 33.801 31.823 -0.436 0.000 0.999 429 V HN 0.672 nan 8.190 nan 0.000 0.424 430 V N 8.150 128.120 119.914 0.093 0.000 2.417 430 V HA 0.678 4.798 4.120 -0.001 0.000 0.291 430 V C -0.447 175.734 176.094 0.144 0.000 1.024 430 V CA -0.402 61.941 62.300 0.071 0.000 0.861 430 V CB 1.125 32.973 31.823 0.041 0.000 0.985 430 V HN 0.868 nan 8.190 nan 0.000 0.436 431 F N 1.256 121.224 119.950 0.030 0.000 2.645 431 F HA 0.672 5.198 4.527 -0.001 0.000 0.310 431 F C -0.801 175.036 175.800 0.063 0.000 1.102 431 F CA -1.223 56.803 58.000 0.043 0.000 0.952 431 F CB 1.549 40.593 39.000 0.074 0.000 1.326 431 F HN 0.391 nan 8.300 nan 0.000 0.456 432 D N 3.984 124.525 120.400 0.234 0.000 2.316 432 D HA 0.257 4.897 4.640 -0.001 0.000 0.245 432 D C -1.643 174.818 176.300 0.269 0.000 1.171 432 D CA -2.365 51.715 54.000 0.133 0.000 0.856 432 D CB 1.839 42.706 40.800 0.112 0.000 1.090 432 D HN 0.371 nan 8.370 nan 0.000 0.476 433 P HA -0.092 nan 4.420 nan 0.000 0.220 433 P C 0.406 177.809 177.300 0.172 0.000 1.148 433 P CA 0.738 63.998 63.100 0.267 0.000 0.803 433 P CB 0.645 32.416 31.700 0.118 0.000 0.782 434 D N -0.680 119.783 120.400 0.104 0.000 2.333 434 D HA -0.031 4.608 4.640 -0.001 0.000 0.208 434 D C 1.806 178.150 176.300 0.074 0.000 0.984 434 D CA 1.524 55.566 54.000 0.070 0.000 0.873 434 D CB -0.118 40.705 40.800 0.039 0.000 0.935 434 D HN 0.344 nan 8.370 nan 0.000 0.521 435 T N -2.646 111.965 114.554 0.095 0.000 2.959 435 T HA 0.112 4.461 4.350 -0.001 0.000 0.254 435 T C 0.916 175.669 174.700 0.089 0.000 1.003 435 T CA -0.282 61.866 62.100 0.080 0.000 0.950 435 T CB 0.075 68.987 68.868 0.072 0.000 1.090 435 T HN -0.106 nan 8.240 nan 0.000 0.503 436 V N 2.639 122.632 119.914 0.133 0.000 2.584 436 V HA 0.484 4.603 4.120 -0.001 0.000 0.303 436 V C 0.089 176.205 176.094 0.038 0.000 1.035 436 V CA 0.784 63.146 62.300 0.104 0.000 1.172 436 V CB -0.445 31.454 31.823 0.127 0.000 0.896 436 V HN 0.950 nan 8.190 nan 0.000 0.486 437 A N 5.362 128.194 122.820 0.019 0.000 2.583 437 A HA 0.561 4.880 4.320 -0.001 0.000 0.292 437 A C -0.924 176.662 177.584 0.004 0.000 1.045 437 A CA -0.376 51.657 52.037 -0.006 0.000 0.672 437 A CB 0.961 19.962 19.000 0.003 0.000 1.283 437 A HN 0.931 nan 8.150 nan 0.000 0.419 438 D N 0.329 120.720 120.400 -0.015 0.000 2.329 438 D HA 0.452 5.092 4.640 -0.001 0.000 0.246 438 D C 0.151 176.459 176.300 0.013 0.000 1.111 438 D CA -0.402 53.608 54.000 0.016 0.000 0.941 438 D CB 1.225 42.026 40.800 0.003 0.000 1.169 438 D HN 0.422 nan 8.370 nan 0.000 0.441 439 R N -0.137 120.380 120.500 0.028 0.000 2.517 439 R HA 0.243 4.582 4.340 -0.001 0.000 0.265 439 R C 0.023 176.308 176.300 -0.025 0.000 0.921 439 R CA -0.315 55.786 56.100 0.001 0.000 1.054 439 R CB 0.204 30.507 30.300 0.005 0.000 1.340 439 R HN 0.612 nan 8.270 nan 0.000 0.551 440 A N 2.102 124.917 122.820 -0.008 0.000 2.492 440 A HA 0.316 4.635 4.320 -0.001 0.000 0.254 440 A C 0.594 178.109 177.584 -0.116 0.000 1.091 440 A CA 0.337 52.342 52.037 -0.054 0.000 0.768 440 A CB -0.000 19.016 19.000 0.027 0.000 1.028 440 A HN 0.272 nan 8.150 nan 0.000 0.498 441 T N -1.200 113.264 114.554 -0.149 0.000 2.910 441 T HA 0.465 4.815 4.350 -0.001 0.000 0.287 441 T C 0.623 175.190 174.700 -0.222 0.000 1.050 441 T CA -0.540 61.430 62.100 -0.217 0.000 1.011 441 T CB 0.575 69.399 68.868 -0.074 0.000 1.195 441 T HN 0.620 nan 8.240 nan 0.000 0.540 442 W N 0.385 121.692 121.300 0.011 0.000 2.338 442 W HA 0.000 4.660 4.660 -0.000 0.000 0.304 442 W C 1.805 178.305 176.519 -0.031 0.000 1.212 442 W CA 0.954 58.292 57.345 -0.010 0.000 1.264 442 W CB -0.364 29.114 29.460 0.030 0.000 1.142 442 W HN 0.662 nan 8.180 nan 0.000 0.512 443 D N -0.626 119.873 120.400 0.165 0.000 2.194 443 D HA -0.057 4.583 4.640 -0.001 0.000 0.204 443 D C 0.236 176.541 176.300 0.008 0.000 0.964 443 D CA 1.151 55.191 54.000 0.067 0.000 0.846 443 D CB -0.208 40.620 40.800 0.045 0.000 0.962 443 D HN 0.286 nan 8.370 nan 0.000 0.490 444 E N 0.702 120.890 120.200 -0.021 0.000 3.303 444 E HA 0.117 4.466 4.350 -0.001 0.000 0.215 444 E C -1.941 174.591 176.600 -0.113 0.000 1.181 444 E CA -1.203 55.154 56.400 -0.072 0.000 0.998 444 E CB 1.833 31.488 29.700 -0.075 0.000 1.312 444 E HN 0.067 nan 8.360 nan 0.000 0.412 445 P HA -0.123 nan 4.420 nan 0.000 0.239 445 P C 0.944 178.127 177.300 -0.194 0.000 1.184 445 P CA 1.032 64.066 63.100 -0.109 0.000 0.760 445 P CB 0.094 31.769 31.700 -0.042 0.000 0.884 446 T N -3.984 110.332 114.554 -0.397 0.000 3.092 446 T HA 0.238 4.588 4.350 -0.001 0.000 0.258 446 T C 0.677 174.711 174.700 -1.110 0.000 1.031 446 T CA -0.371 61.111 62.100 -1.030 0.000 0.925 446 T CB -0.587 67.819 68.868 -0.769 0.000 1.036 446 T HN -0.073 nan 8.240 nan 0.000 0.544 447 L N 2.426 123.338 121.223 -0.518 0.000 2.455 447 L HA 0.495 4.835 4.340 -0.001 0.000 0.272 447 L C 1.004 177.742 176.870 -0.219 0.000 1.174 447 L CA -0.701 53.941 54.840 -0.331 0.000 0.869 447 L CB 0.214 42.178 42.059 -0.158 0.000 1.130 447 L HN 0.305 nan 8.230 nan 0.000 0.474 448 A N 3.430 126.178 122.820 -0.119 0.000 2.351 448 A HA 0.419 4.739 4.320 -0.001 0.000 0.257 448 A C 0.453 178.124 177.584 0.145 0.000 1.087 448 A CA -0.389 51.746 52.037 0.164 0.000 0.798 448 A CB 0.394 19.539 19.000 0.242 0.000 1.033 448 A HN 0.741 nan 8.150 nan 0.000 0.488 449 S N -0.791 115.017 115.700 0.180 0.000 2.596 449 S HA 0.402 4.872 4.470 -0.001 0.000 0.260 449 S C 0.404 175.060 174.600 0.094 0.000 1.336 449 S CA 0.067 58.330 58.200 0.105 0.000 0.993 449 S CB 0.718 63.962 63.200 0.074 0.000 0.923 449 S HN 1.400 nan 8.310 nan 0.000 0.567 450 V N -2.010 117.947 119.914 0.073 0.000 2.960 450 V HA 0.949 5.069 4.120 -0.001 0.000 0.315 450 V C 0.875 177.019 176.094 0.084 0.000 1.087 450 V CA -0.147 62.203 62.300 0.082 0.000 0.982 450 V CB 0.576 32.438 31.823 0.065 0.000 1.039 450 V HN 1.265 nan 8.190 nan 0.000 0.437 451 G N 1.707 110.569 108.800 0.104 0.000 2.195 451 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.246 451 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.246 451 G C -0.109 174.891 174.900 0.167 0.000 0.984 451 G CA 0.147 45.326 45.100 0.132 0.000 0.633 451 G HN 0.826 nan 8.290 nan 0.000 0.525 452 I N 1.849 122.491 120.570 0.121 0.000 2.301 452 I HA 0.543 4.713 4.170 -0.001 0.000 0.292 452 I C 1.512 177.735 176.117 0.177 0.000 1.046 452 I CA 0.375 61.728 61.300 0.087 0.000 1.282 452 I CB 0.659 38.557 38.000 -0.170 0.000 1.409 452 I HN 0.194 nan 8.210 nan 0.000 0.484 453 A N 5.347 128.234 122.820 0.112 0.000 1.943 453 A HA 0.506 4.825 4.320 -0.001 0.000 0.213 453 A C 1.040 178.546 177.584 -0.130 0.000 1.181 453 A CA 0.865 52.902 52.037 0.000 0.000 0.653 453 A CB 0.055 19.002 19.000 -0.088 0.000 0.833 453 A HN 0.769 nan 8.150 nan 0.000 0.451 454 G N -2.175 106.553 108.800 -0.121 0.000 2.632 454 G HA2 0.503 4.462 3.960 -0.001 0.000 0.292 454 G HA3 0.503 4.462 3.960 -0.001 0.000 0.292 454 G C -1.847 173.100 174.900 0.079 0.000 1.465 454 G CA -0.180 44.762 45.100 -0.262 0.000 0.824 454 G HN 0.507 nan 8.290 nan 0.000 0.509 455 V N 1.073 121.158 119.914 0.286 0.000 2.733 455 V HA 0.593 4.713 4.120 -0.001 0.000 0.306 455 V C -0.391 175.803 176.094 0.166 0.000 1.084 455 V CA -0.628 61.770 62.300 0.163 0.000 0.905 455 V CB 1.688 33.526 31.823 0.024 0.000 1.010 455 V HN 0.697 nan 8.190 nan 0.000 0.424 456 L N 4.436 125.661 121.223 0.003 0.000 2.346 456 L HA 0.742 5.082 4.340 -0.001 0.000 0.276 456 L C -0.869 175.919 176.870 -0.136 0.000 1.006 456 L CA -0.935 53.817 54.840 -0.146 0.000 0.817 456 L CB 2.237 44.092 42.059 -0.339 0.000 1.272 456 L HN 0.355 nan 8.230 nan 0.000 0.421 457 V N 2.191 122.021 119.914 -0.140 0.000 2.407 457 V HA 0.244 4.364 4.120 -0.001 0.000 0.291 457 V C 0.044 176.055 176.094 -0.139 0.000 1.018 457 V CA -0.616 61.593 62.300 -0.152 0.000 0.842 457 V CB 1.176 32.899 31.823 -0.167 0.000 0.996 457 V HN 0.947 nan 8.190 nan 0.000 0.426 458 N N 4.161 122.799 118.700 -0.103 0.000 2.727 458 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 458 N C 1.141 176.658 175.510 0.013 0.000 1.048 458 N CA 0.739 53.787 53.050 -0.003 0.000 0.714 458 N CB -0.789 37.610 38.487 -0.147 0.000 0.959 458 N HN 1.364 nan 8.380 nan 0.000 0.544 459 G N -2.067 106.698 108.800 -0.058 0.000 2.205 459 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.261 459 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.261 459 G C 0.169 174.964 174.900 -0.176 0.000 0.980 459 G CA 0.461 45.491 45.100 -0.117 0.000 0.632 459 G HN 1.022 nan 8.290 nan 0.000 0.533 460 A N 0.086 122.816 122.820 -0.151 0.000 2.305 460 A HA 0.717 5.036 4.320 -0.001 0.000 0.322 460 A C 0.235 177.728 177.584 -0.151 0.000 1.187 460 A CA 0.267 52.223 52.037 -0.135 0.000 0.825 460 A CB 0.842 19.790 19.000 -0.086 0.000 1.164 460 A HN 0.594 nan 8.150 nan 0.000 0.498 461 E N 1.328 121.460 120.200 -0.113 0.000 2.376 461 E HA 0.250 4.600 4.350 -0.001 0.000 0.266 461 E C 0.513 177.142 176.600 0.049 0.000 1.009 461 E CA 0.218 56.626 56.400 0.015 0.000 0.902 461 E CB 0.621 30.433 29.700 0.187 0.000 0.972 461 E HN 0.645 nan 8.360 nan 0.000 0.439 462 V N 2.461 122.427 119.914 0.087 0.000 3.562 462 V HA 0.407 4.526 4.120 -0.001 0.000 0.270 462 V C -0.099 176.089 176.094 0.156 0.000 1.418 462 V CA -0.290 62.050 62.300 0.067 0.000 1.033 462 V CB -0.042 31.784 31.823 0.004 0.000 0.820 462 V HN 0.510 nan 8.190 nan 0.000 0.441 463 F N 1.956 121.929 119.950 0.038 0.000 2.596 463 F HA 0.739 5.265 4.527 -0.001 0.000 0.311 463 F C -2.464 173.358 175.800 0.036 0.000 1.116 463 F CA -1.748 56.264 58.000 0.020 0.000 0.957 463 F CB 2.811 41.795 39.000 -0.027 0.000 1.250 463 F HN -0.211 nan 8.300 nan 0.000 0.444 464 P HA -0.114 nan 4.420 nan 0.000 0.225 464 P C -0.327 176.685 177.300 -0.479 0.000 1.156 464 P CA 0.890 63.259 63.100 -1.219 0.000 0.787 464 P CB 0.318 31.470 31.700 -0.913 0.000 0.802 465 Q N 2.119 121.813 119.800 -0.175 0.000 2.398 465 Q HA 0.334 4.673 4.340 -0.001 0.000 0.251 465 Q C -2.465 173.537 176.000 0.004 0.000 0.999 465 Q CA -3.152 52.616 55.803 -0.058 0.000 0.874 465 Q CB 0.957 29.696 28.738 0.001 0.000 1.215 465 Q HN 0.101 nan 8.270 nan 0.000 0.470 466 P HA 0.217 nan 4.420 nan 0.000 0.274 466 P C -2.517 174.790 177.300 0.011 0.000 1.237 466 P CA -1.321 61.788 63.100 0.016 0.000 0.793 466 P CB 0.101 31.811 31.700 0.016 0.000 0.977 467 P HA 0.015 nan 4.420 nan 0.000 0.269 467 P C 0.442 177.743 177.300 0.002 0.000 1.209 467 P CA 0.083 63.182 63.100 -0.002 0.000 0.776 467 P CB 0.543 32.233 31.700 -0.017 0.000 0.876 468 A N 3.427 126.250 122.820 0.005 0.000 1.897 468 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 468 A C 1.288 178.875 177.584 0.005 0.000 1.181 468 A CA 1.321 53.362 52.037 0.008 0.000 0.620 468 A CB -0.429 18.578 19.000 0.011 0.000 0.821 468 A HN 0.538 nan 8.150 nan 0.000 0.443 469 D N -0.892 119.508 120.400 -0.000 0.000 2.976 469 D HA 0.317 4.956 4.640 -0.001 0.000 0.239 469 D C 1.053 177.346 176.300 -0.011 0.000 1.198 469 D CA 0.341 54.339 54.000 -0.003 0.000 1.171 469 D CB -1.051 39.747 40.800 -0.003 0.000 1.012 469 D HN 0.240 nan 8.370 nan 0.000 0.318 470 G N 0.463 109.253 108.800 -0.018 0.000 2.432 470 G HA2 0.217 4.176 3.960 -0.001 0.000 0.239 470 G HA3 0.217 4.176 3.960 -0.001 0.000 0.239 470 G C 0.057 174.931 174.900 -0.042 0.000 1.291 470 G CA -0.098 44.984 45.100 -0.031 0.000 0.863 470 G HN 0.100 nan 8.290 nan 0.000 0.560 471 R N 2.504 122.970 120.500 -0.056 0.000 2.528 471 R HA 0.262 4.602 4.340 -0.001 0.000 0.271 471 R C -1.339 174.898 176.300 -0.104 0.000 1.056 471 R CA -1.533 54.524 56.100 -0.073 0.000 1.117 471 R CB 1.457 31.713 30.300 -0.074 0.000 1.085 471 R HN 0.416 nan 8.270 nan 0.000 0.530 472 P HA 0.018 nan 4.420 nan 0.000 0.245 472 P C 0.359 177.528 177.300 -0.218 0.000 1.206 472 P CA 0.226 63.237 63.100 -0.149 0.000 0.781 472 P CB 0.374 31.998 31.700 -0.127 0.000 0.994 473 G N 0.593 109.252 108.800 -0.234 0.000 2.554 473 G HA2 0.160 4.119 3.960 -0.001 0.000 0.238 473 G HA3 0.160 4.119 3.960 -0.001 0.000 0.238 473 G C -0.499 174.179 174.900 -0.369 0.000 1.259 473 G CA -0.130 44.782 45.100 -0.313 0.000 0.843 473 G HN 0.215 nan 8.290 nan 0.000 0.582 474 Q N -0.563 118.965 119.800 -0.453 0.000 2.387 474 Q HA 0.434 4.774 4.340 -0.001 0.000 0.273 474 Q C -0.825 174.860 176.000 -0.526 0.000 1.089 474 Q CA -0.943 54.571 55.803 -0.483 0.000 0.824 474 Q CB 2.981 31.375 28.738 -0.573 0.000 1.367 474 Q HN 0.345 nan 8.270 nan 0.000 0.443 475 V N 3.073 122.667 119.914 -0.533 0.000 2.455 475 V HA 0.117 4.236 4.120 -0.001 0.000 0.273 475 V C -0.015 175.740 176.094 -0.565 0.000 1.045 475 V CA -0.137 61.768 62.300 -0.658 0.000 0.976 475 V CB 0.336 31.665 31.823 -0.822 0.000 0.993 475 V HN 0.575 nan 8.190 nan 0.000 0.475 476 L N 6.889 127.806 121.223 -0.509 0.000 2.387 476 L HA 0.371 4.711 4.340 -0.001 0.000 0.267 476 L C 0.781 177.533 176.870 -0.196 0.000 1.197 476 L CA -0.115 54.519 54.840 -0.344 0.000 1.070 476 L CB -0.398 41.424 42.059 -0.396 0.000 1.349 476 L HN 0.554 nan 8.230 nan 0.000 0.422 477 R N 1.919 122.300 120.500 -0.199 0.000 2.370 477 R HA 0.412 4.751 4.340 -0.001 0.000 0.309 477 R C 0.512 176.858 176.300 0.077 0.000 1.059 477 R CA -0.258 55.816 56.100 -0.045 0.000 0.981 477 R CB 1.007 31.283 30.300 -0.041 0.000 0.972 477 R HN 0.624 nan 8.270 nan 0.000 0.437 478 A N 0.000 122.912 122.820 0.154 0.000 2.254 478 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 478 A CA 0.000 52.131 52.037 0.156 0.000 0.836 478 A CB 0.000 19.105 19.000 0.176 0.000 0.831 478 A HN 0.000 nan 8.150 nan 0.000 0.486