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 1ci9_1_A DATA FIRST_RESID 15 DATA SEQUENCE AASLAARLDA VFDQALRERR LVGAVAIVAR HGEILYRRAQ GLADREAGRP DATA SEQUENCE MREDTLFRLA SVTKPIVALA VLRLVARGEL ALDAPVTRWL PEFRPRLADG DATA SEQUENCE SEPLVTIHHL LTHTSGLGYW LLEGAGSVYD RLGISDGIDL RDFDLDENLR DATA SEQUENCE RLASAPLSFA PGSGWQYSLA LDVLGAVVER ATGQPLAAAV DALVAQPLGM DATA SEQUENCE RDCGFVSAEP ERFAVPYHDG QPEPVRMRDG IEVPLPEGHG AAVRFAPSRV DATA SEQUENCE FEPGAYPSGG AGMYGSADDV LRALEAIRAN PGFLPETLAD AARRDQAGVG DATA SEQUENCE AETRGPGWGF GYLSAVLDDP AAAGTPQHAG TLQWGGVYGH SWFVDRALGL DATA SEQUENCE SVLLLTNTAY EGMSGPLTIA LRDAVYA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.621 177.584 0.061 0.000 1.274 15 A CA 0.000 52.063 52.037 0.044 0.000 0.836 15 A CB 0.000 19.026 19.000 0.043 0.000 0.831 16 A N 1.101 123.950 122.820 0.047 0.000 1.933 16 A HA 0.014 4.333 4.320 -0.000 0.000 0.218 16 A C 2.429 180.039 177.584 0.043 0.000 1.175 16 A CA 2.914 54.981 52.037 0.051 0.000 0.628 16 A CB -0.940 18.082 19.000 0.037 0.000 0.814 16 A HN 1.540 nan 8.150 nan 0.000 0.444 17 S N -0.047 115.669 115.700 0.027 0.000 2.355 17 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 17 S C 1.918 176.519 174.600 0.002 0.000 1.031 17 S CA 1.399 59.608 58.200 0.015 0.000 0.993 17 S CB -0.777 62.428 63.200 0.008 0.000 0.859 17 S HN 0.585 nan 8.310 nan 0.000 0.453 18 L N 2.181 123.400 121.223 -0.007 0.000 2.083 18 L HA 0.180 4.520 4.340 -0.000 0.000 0.209 18 L C 2.632 179.452 176.870 -0.084 0.000 1.083 18 L CA 1.709 56.516 54.840 -0.055 0.000 0.752 18 L CB -1.119 40.903 42.059 -0.062 0.000 0.899 18 L HN 0.353 nan 8.230 nan 0.000 0.433 19 A N -0.172 122.664 122.820 0.028 0.000 1.908 19 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 19 A C 2.469 180.117 177.584 0.106 0.000 1.181 19 A CA 1.856 53.984 52.037 0.152 0.000 0.627 19 A CB -1.213 17.956 19.000 0.282 0.000 0.818 19 A HN 0.611 nan 8.150 nan 0.000 0.445 20 A N -0.316 122.543 122.820 0.064 0.000 1.930 20 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 20 A C 2.248 179.846 177.584 0.023 0.000 1.175 20 A CA 1.393 53.463 52.037 0.054 0.000 0.627 20 A CB -0.429 18.594 19.000 0.039 0.000 0.815 20 A HN 0.554 nan 8.150 nan 0.000 0.443 21 R N -1.164 119.325 120.500 -0.017 0.000 2.092 21 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 21 R C 1.840 178.095 176.300 -0.075 0.000 1.119 21 R CA 1.120 57.196 56.100 -0.040 0.000 0.970 21 R CB -0.446 29.823 30.300 -0.051 0.000 0.864 21 R HN 0.368 nan 8.270 nan 0.000 0.440 22 L N 1.284 122.425 121.223 -0.137 0.000 2.072 22 L HA -0.130 4.209 4.340 -0.000 0.000 0.205 22 L C 1.621 178.506 176.870 0.026 0.000 1.079 22 L CA 1.772 56.485 54.840 -0.212 0.000 0.752 22 L CB -0.772 40.936 42.059 -0.585 0.000 0.906 22 L HN 0.051 nan 8.230 nan 0.000 0.436 23 D N -0.496 120.009 120.400 0.174 0.000 2.149 23 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 23 D C 2.190 178.595 176.300 0.176 0.000 0.990 23 D CA 1.387 55.556 54.000 0.283 0.000 0.839 23 D CB 0.009 40.944 40.800 0.225 0.000 0.948 23 D HN 0.320 nan 8.370 nan 0.000 0.460 24 A N 0.342 123.210 122.820 0.080 0.000 1.930 24 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 24 A C 2.493 180.090 177.584 0.023 0.000 1.175 24 A CA 0.915 52.981 52.037 0.048 0.000 0.627 24 A CB -0.587 18.426 19.000 0.021 0.000 0.815 24 A HN 0.141 nan 8.150 nan 0.000 0.443 25 V N -1.148 118.741 119.914 -0.042 0.000 2.295 25 V HA -0.229 3.890 4.120 -0.000 0.000 0.246 25 V C 2.303 178.348 176.094 -0.082 0.000 1.049 25 V CA 2.022 64.251 62.300 -0.118 0.000 1.024 25 V CB -0.947 30.724 31.823 -0.254 0.000 0.648 25 V HN 0.547 nan 8.190 nan 0.000 0.447 26 F N 0.598 120.571 119.950 0.038 0.000 2.146 26 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 26 F C 2.300 178.121 175.800 0.036 0.000 1.096 26 F CA 1.540 59.569 58.000 0.048 0.000 1.275 26 F CB -0.758 38.288 39.000 0.078 0.000 1.008 26 F HN 0.204 nan 8.300 nan 0.000 0.480 27 D N -0.248 120.282 120.400 0.217 0.000 2.123 27 D HA -0.232 4.408 4.640 -0.000 0.000 0.196 27 D C 2.207 178.558 176.300 0.086 0.000 0.992 27 D CA 1.333 55.410 54.000 0.127 0.000 0.833 27 D CB -0.507 40.349 40.800 0.093 0.000 0.954 27 D HN 0.408 nan 8.370 nan 0.000 0.455 28 Q N 0.242 120.082 119.800 0.066 0.000 2.083 28 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 28 Q C 2.060 178.086 176.000 0.043 0.000 0.969 28 Q CA 1.323 57.149 55.803 0.039 0.000 0.838 28 Q CB -0.048 28.701 28.738 0.019 0.000 0.900 28 Q HN 0.158 nan 8.270 nan 0.000 0.436 29 A N 1.210 124.064 122.820 0.057 0.000 1.908 29 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 29 A C 2.081 179.705 177.584 0.067 0.000 1.181 29 A CA 1.427 53.502 52.037 0.065 0.000 0.627 29 A CB -0.766 18.292 19.000 0.097 0.000 0.818 29 A HN 0.467 nan 8.150 nan 0.000 0.445 30 L N -1.469 119.805 121.223 0.086 0.000 2.027 30 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 30 L C 2.798 179.682 176.870 0.024 0.000 1.074 30 L CA 1.719 56.590 54.840 0.052 0.000 0.745 30 L CB -0.487 41.608 42.059 0.059 0.000 0.898 30 L HN 0.423 nan 8.230 nan 0.000 0.433 31 R N 0.575 121.092 120.500 0.029 0.000 2.091 31 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 31 R C 1.859 178.165 176.300 0.010 0.000 1.136 31 R CA 1.736 57.846 56.100 0.017 0.000 0.959 31 R CB -0.058 30.255 30.300 0.021 0.000 0.856 31 R HN 0.425 nan 8.270 nan 0.000 0.437 32 E N -0.158 120.050 120.200 0.014 0.000 2.502 32 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 32 E C -0.063 176.539 176.600 0.004 0.000 1.062 32 E CA -0.052 56.353 56.400 0.009 0.000 0.867 32 E CB 0.239 29.946 29.700 0.012 0.000 0.888 32 E HN 0.156 nan 8.360 nan 0.000 0.510 33 R N -0.026 120.473 120.500 -0.001 0.000 3.525 33 R HA -0.216 4.124 4.340 -0.000 0.000 0.276 33 R C 0.474 176.767 176.300 -0.013 0.000 1.116 33 R CA 0.418 56.508 56.100 -0.017 0.000 0.745 33 R CB -1.479 28.807 30.300 -0.024 0.000 1.185 33 R HN 0.161 nan 8.270 nan 0.000 0.454 34 R N -0.399 120.104 120.500 0.005 0.000 2.334 34 R HA 0.189 4.529 4.340 -0.000 0.000 0.216 34 R C -0.026 176.287 176.300 0.022 0.000 0.905 34 R CA 0.233 56.342 56.100 0.015 0.000 1.064 34 R CB 0.430 30.745 30.300 0.024 0.000 1.046 34 R HN 0.066 nan 8.270 nan 0.000 0.508 35 L N -0.700 120.532 121.223 0.016 0.000 2.505 35 L HA 0.238 4.578 4.340 -0.000 0.000 0.266 35 L C 0.301 177.152 176.870 -0.032 0.000 0.954 35 L CA -0.388 54.470 54.840 0.030 0.000 0.852 35 L CB 2.168 44.291 42.059 0.107 0.000 1.282 35 L HN -0.259 nan 8.230 nan 0.000 0.403 36 V N 2.924 122.784 119.914 -0.090 0.000 2.374 36 V HA 0.545 4.665 4.120 -0.000 0.000 0.241 36 V C 1.003 177.044 176.094 -0.088 0.000 1.034 36 V CA 1.100 63.283 62.300 -0.195 0.000 1.037 36 V CB -0.127 31.397 31.823 -0.498 0.000 0.682 36 V HN 0.906 nan 8.190 nan 0.000 0.463 37 G N -1.673 107.124 108.800 -0.005 0.000 2.698 37 G HA2 0.761 4.721 3.960 -0.000 0.000 0.293 37 G HA3 0.761 4.721 3.960 -0.000 0.000 0.293 37 G C -1.577 173.393 174.900 0.116 0.000 1.437 37 G CA 0.139 45.257 45.100 0.030 0.000 0.852 37 G HN 0.619 nan 8.290 nan 0.000 0.499 38 A N -0.582 122.276 122.820 0.064 0.000 2.610 38 A HA 0.862 5.181 4.320 -0.000 0.000 0.291 38 A C -1.634 175.958 177.584 0.014 0.000 1.086 38 A CA -0.579 51.515 52.037 0.096 0.000 0.677 38 A CB 1.723 20.756 19.000 0.055 0.000 1.278 38 A HN 1.632 nan 8.150 nan 0.000 0.414 39 V N 0.238 120.169 119.914 0.029 0.000 2.577 39 V HA 0.802 4.922 4.120 -0.000 0.000 0.303 39 V C 0.136 176.214 176.094 -0.026 0.000 1.042 39 V CA 0.012 62.297 62.300 -0.025 0.000 0.872 39 V CB 1.340 33.197 31.823 0.056 0.000 0.998 39 V HN 1.723 nan 8.190 nan 0.000 0.423 40 A N 5.722 128.561 122.820 0.030 0.000 2.435 40 A HA 0.984 5.304 4.320 -0.000 0.000 0.304 40 A C -1.138 176.543 177.584 0.161 0.000 1.064 40 A CA -0.569 51.574 52.037 0.177 0.000 0.727 40 A CB 1.511 20.796 19.000 0.474 0.000 1.284 40 A HN 0.744 nan 8.150 nan 0.000 0.415 41 I N 1.570 122.224 120.570 0.141 0.000 2.607 41 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 41 I C -1.186 174.983 176.117 0.087 0.000 1.129 41 I CA -0.893 60.468 61.300 0.101 0.000 1.042 41 I CB 2.328 40.330 38.000 0.003 0.000 1.242 41 I HN 0.320 nan 8.210 nan 0.000 0.421 42 V N 4.665 124.649 119.914 0.115 0.000 2.444 42 V HA 0.772 4.891 4.120 -0.000 0.000 0.294 42 V C -0.007 176.090 176.094 0.006 0.000 1.022 42 V CA -0.414 61.897 62.300 0.020 0.000 0.850 42 V CB 1.612 33.443 31.823 0.013 0.000 0.992 42 V HN 0.837 nan 8.190 nan 0.000 0.426 43 A N 5.084 127.880 122.820 -0.039 0.000 2.374 43 A HA 0.932 5.252 4.320 -0.000 0.000 0.317 43 A C -0.470 177.081 177.584 -0.056 0.000 1.094 43 A CA -0.851 51.166 52.037 -0.034 0.000 0.765 43 A CB 1.580 20.556 19.000 -0.039 0.000 1.268 43 A HN 0.787 nan 8.150 nan 0.000 0.438 44 R N 1.185 121.665 120.500 -0.034 0.000 2.451 44 R HA 0.399 4.738 4.340 -0.000 0.000 0.307 44 R C -0.772 175.545 176.300 0.029 0.000 0.965 44 R CA -0.495 55.575 56.100 -0.051 0.000 0.865 44 R CB 0.283 30.573 30.300 -0.018 0.000 1.174 44 R HN 0.983 nan 8.270 nan 0.000 0.455 45 H N 2.845 121.905 119.070 -0.017 0.000 2.655 45 H HA -0.213 4.343 4.556 -0.000 0.000 0.313 45 H C 0.843 176.163 175.328 -0.013 0.000 1.141 45 H CA 1.698 57.739 56.048 -0.012 0.000 1.138 45 H CB -0.817 28.939 29.762 -0.011 0.000 1.446 45 H HN 1.136 nan 8.280 nan 0.000 0.415 46 G N -0.017 108.811 108.800 0.047 0.000 2.175 46 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 46 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 46 G C 0.089 174.999 174.900 0.016 0.000 0.982 46 G CA 0.479 45.594 45.100 0.024 0.000 0.641 46 G HN 0.664 nan 8.290 nan 0.000 0.527 47 E N 1.035 121.250 120.200 0.026 0.000 2.156 47 E HA 0.498 4.848 4.350 -0.000 0.000 0.279 47 E C 0.261 176.866 176.600 0.008 0.000 0.965 47 E CA -1.102 55.309 56.400 0.017 0.000 0.789 47 E CB 0.391 30.108 29.700 0.028 0.000 1.098 47 E HN 0.090 nan 8.360 nan 0.000 0.397 48 I N 6.747 127.319 120.570 0.003 0.000 2.505 48 I HA -0.042 4.128 4.170 -0.000 0.000 0.287 48 I C 1.161 177.292 176.117 0.023 0.000 1.104 48 I CA 0.416 61.719 61.300 0.005 0.000 1.387 48 I CB 0.331 38.326 38.000 -0.008 0.000 1.404 48 I HN 0.793 nan 8.210 nan 0.000 0.528 49 L N 6.651 127.900 121.223 0.044 0.000 2.298 49 L HA 0.077 4.417 4.340 -0.000 0.000 0.209 49 L C -0.022 176.939 176.870 0.152 0.000 1.084 49 L CA 0.498 55.381 54.840 0.073 0.000 0.816 49 L CB -0.023 42.069 42.059 0.056 0.000 0.967 49 L HN 0.515 nan 8.230 nan 0.000 0.460 50 Y N 0.218 120.513 120.300 -0.009 0.000 2.399 50 Y HA 0.462 5.012 4.550 -0.000 0.000 0.327 50 Y C -0.848 175.051 175.900 -0.001 0.000 1.111 50 Y CA -1.144 56.958 58.100 0.005 0.000 1.047 50 Y CB 1.202 39.676 38.460 0.022 0.000 1.259 50 Y HN -0.106 nan 8.280 nan 0.000 0.434 51 R N 6.507 126.795 120.500 -0.353 0.000 2.713 51 R HA 0.518 4.857 4.340 -0.000 0.000 0.282 51 R C -1.906 174.149 176.300 -0.407 0.000 1.472 51 R CA -0.521 55.419 56.100 -0.267 0.000 1.060 51 R CB 0.794 31.015 30.300 -0.131 0.000 1.237 51 R HN 0.860 nan 8.270 nan 0.000 0.484 52 R N 2.251 122.471 120.500 -0.466 0.000 2.604 52 R HA 0.541 4.881 4.340 -0.000 0.000 0.281 52 R C -1.344 174.796 176.300 -0.267 0.000 1.020 52 R CA -0.668 55.173 56.100 -0.431 0.000 0.899 52 R CB 2.417 32.286 30.300 -0.719 0.000 1.205 52 R HN 0.615 nan 8.270 nan 0.000 0.450 53 A N 2.723 125.422 122.820 -0.202 0.000 2.304 53 A HA 0.501 4.821 4.320 -0.000 0.000 0.301 53 A C -0.692 176.771 177.584 -0.201 0.000 1.132 53 A CA -0.422 51.519 52.037 -0.159 0.000 0.819 53 A CB 1.098 20.041 19.000 -0.094 0.000 1.094 53 A HN 0.521 nan 8.150 nan 0.000 0.492 54 Q N 0.441 120.106 119.800 -0.225 0.000 2.331 54 Q HA 0.541 4.880 4.340 -0.000 0.000 0.272 54 Q C 0.360 176.284 176.000 -0.128 0.000 1.062 54 Q CA 0.251 55.913 55.803 -0.235 0.000 0.806 54 Q CB 1.983 30.421 28.738 -0.501 0.000 1.312 54 Q HN 1.892 nan 8.270 nan 0.000 0.431 55 G N 1.464 110.215 108.800 -0.081 0.000 2.539 55 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 55 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 55 G C -0.842 174.028 174.900 -0.050 0.000 1.233 55 G CA -0.422 44.645 45.100 -0.055 0.000 0.936 55 G HN 0.462 nan 8.290 nan 0.000 0.571 56 L N 0.389 121.581 121.223 -0.051 0.000 2.346 56 L HA 0.674 5.014 4.340 -0.000 0.000 0.274 56 L C 1.571 178.429 176.870 -0.021 0.000 1.007 56 L CA -0.295 54.519 54.840 -0.044 0.000 0.818 56 L CB 1.879 43.903 42.059 -0.059 0.000 1.284 56 L HN 0.993 nan 8.230 nan 0.000 0.424 57 A N 1.009 123.820 122.820 -0.015 0.000 1.903 57 A HA -0.016 4.304 4.320 -0.000 0.000 0.213 57 A C 0.488 178.114 177.584 0.070 0.000 1.185 57 A CA 1.041 53.072 52.037 -0.009 0.000 0.628 57 A CB -0.005 18.954 19.000 -0.068 0.000 0.830 57 A HN 0.712 nan 8.150 nan 0.000 0.446 58 D N -1.508 118.931 120.400 0.065 0.000 2.476 58 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 58 D C 0.708 177.064 176.300 0.093 0.000 1.291 58 D CA -0.529 53.544 54.000 0.120 0.000 0.939 58 D CB 1.002 41.836 40.800 0.056 0.000 1.221 58 D HN 0.189 nan 8.370 nan 0.000 0.567 59 R N 2.518 123.101 120.500 0.138 0.000 2.066 59 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 59 R C 0.944 177.271 176.300 0.045 0.000 1.131 59 R CA 1.517 57.634 56.100 0.027 0.000 0.955 59 R CB 0.336 30.589 30.300 -0.077 0.000 0.851 59 R HN 0.278 nan 8.270 nan 0.000 0.432 60 E N 0.096 120.351 120.200 0.091 0.000 2.153 60 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 60 E C 1.547 178.160 176.600 0.022 0.000 0.988 60 E CA 1.495 57.923 56.400 0.048 0.000 0.811 60 E CB -0.057 29.672 29.700 0.050 0.000 0.746 60 E HN 0.473 nan 8.360 nan 0.000 0.466 61 A N -0.363 122.469 122.820 0.021 0.000 2.218 61 A HA 0.357 4.677 4.320 -0.000 0.000 0.209 61 A C 1.657 179.240 177.584 -0.002 0.000 1.168 61 A CA 0.647 52.686 52.037 0.003 0.000 0.804 61 A CB -0.422 18.577 19.000 -0.002 0.000 0.834 61 A HN 0.269 nan 8.150 nan 0.000 0.482 62 G N -0.306 108.494 108.800 0.000 0.000 2.221 62 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.265 62 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.265 62 G C 0.192 175.083 174.900 -0.014 0.000 1.041 62 G CA 0.501 45.595 45.100 -0.010 0.000 0.807 62 G HN 0.820 nan 8.290 nan 0.000 0.502 63 R N 0.994 121.488 120.500 -0.011 0.000 2.202 63 R HA 0.496 4.835 4.340 -0.000 0.000 0.334 63 R C -2.016 174.269 176.300 -0.025 0.000 1.036 63 R CA -1.879 54.210 56.100 -0.019 0.000 0.878 63 R CB 1.169 31.458 30.300 -0.018 0.000 1.067 63 R HN 0.139 nan 8.270 nan 0.000 0.457 64 P HA -0.015 nan 4.420 nan 0.000 0.272 64 P C -0.523 176.749 177.300 -0.046 0.000 1.223 64 P CA -0.435 62.642 63.100 -0.038 0.000 0.784 64 P CB 0.627 32.304 31.700 -0.038 0.000 0.923 65 M N 2.853 122.425 119.600 -0.047 0.000 2.249 65 M HA 0.093 4.573 4.480 -0.000 0.000 0.340 65 M C 0.277 176.544 176.300 -0.055 0.000 1.166 65 M CA 1.025 56.295 55.300 -0.050 0.000 1.115 65 M CB -0.253 32.331 32.600 -0.027 0.000 1.606 65 M HN 0.204 nan 8.290 nan 0.000 0.448 66 R N 2.796 123.261 120.500 -0.059 0.000 2.854 66 R HA 0.266 4.606 4.340 -0.000 0.000 0.271 66 R C 0.529 176.805 176.300 -0.040 0.000 0.996 66 R CA -0.659 55.407 56.100 -0.056 0.000 0.961 66 R CB 0.984 31.246 30.300 -0.062 0.000 1.182 66 R HN 0.684 nan 8.270 nan 0.000 0.479 67 E N 0.624 120.796 120.200 -0.047 0.000 2.209 67 E HA -0.191 4.158 4.350 -0.000 0.000 0.196 67 E C 0.575 177.165 176.600 -0.018 0.000 0.993 67 E CA 1.608 57.985 56.400 -0.039 0.000 0.819 67 E CB 0.031 29.694 29.700 -0.062 0.000 0.745 67 E HN 0.533 nan 8.360 nan 0.000 0.477 68 D N -0.781 119.599 120.400 -0.034 0.000 2.368 68 D HA -0.002 4.638 4.640 -0.000 0.000 0.218 68 D C -0.215 176.043 176.300 -0.069 0.000 1.112 68 D CA -0.156 53.821 54.000 -0.040 0.000 0.834 68 D CB -0.383 40.388 40.800 -0.049 0.000 0.953 68 D HN -0.221 nan 8.370 nan 0.000 0.505 69 T N 1.183 115.689 114.554 -0.079 0.000 2.940 69 T HA 0.180 4.529 4.350 -0.000 0.000 0.309 69 T C 0.574 175.087 174.700 -0.311 0.000 1.056 69 T CA -0.127 61.837 62.100 -0.226 0.000 1.137 69 T CB 0.740 69.426 68.868 -0.303 0.000 0.976 69 T HN 0.111 nan 8.240 nan 0.000 0.547 70 L N 3.041 123.940 121.223 -0.541 0.000 2.375 70 L HA 0.559 4.898 4.340 -0.000 0.000 0.271 70 L C -0.556 175.864 176.870 -0.750 0.000 1.107 70 L CA -0.560 53.890 54.840 -0.649 0.000 0.806 70 L CB 0.549 41.896 42.059 -1.186 0.000 1.146 70 L HN 0.539 nan 8.230 nan 0.000 0.447 71 F N 0.384 120.192 119.950 -0.236 0.000 2.563 71 F HA 0.489 5.016 4.527 -0.000 0.000 0.316 71 F C 0.166 176.062 175.800 0.161 0.000 1.076 71 F CA -0.903 57.099 58.000 0.005 0.000 0.921 71 F CB 1.547 40.533 39.000 -0.023 0.000 1.209 71 F HN 0.271 nan 8.300 nan 0.000 0.462 72 R N 2.790 123.491 120.500 0.336 0.000 2.449 72 R HA 0.224 4.564 4.340 -0.000 0.000 0.296 72 R C 0.615 177.125 176.300 0.350 0.000 1.047 72 R CA -0.053 56.144 56.100 0.161 0.000 1.018 72 R CB 0.368 30.424 30.300 -0.405 0.000 0.962 72 R HN 0.736 nan 8.270 nan 0.000 0.428 73 L N 2.891 124.308 121.223 0.323 0.000 2.446 73 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 73 L C 1.449 178.621 176.870 0.503 0.000 1.116 73 L CA 0.582 55.635 54.840 0.355 0.000 0.844 73 L CB -0.523 41.624 42.059 0.146 0.000 0.970 73 L HN 0.983 nan 8.230 nan 0.000 0.457 74 A N 0.404 123.514 122.820 0.484 0.000 5.481 74 A HA -0.377 3.943 4.320 -0.000 0.000 0.318 74 A C 1.544 179.354 177.584 0.376 0.000 1.837 74 A CA 1.745 54.042 52.037 0.434 0.000 0.717 74 A CB -1.695 17.574 19.000 0.447 0.000 1.349 74 A HN 0.270 nan 8.150 nan 0.000 0.388 75 S N -0.461 115.480 115.700 0.402 0.000 2.660 75 S HA 0.204 4.673 4.470 -0.000 0.000 0.223 75 S C 1.325 176.257 174.600 0.552 0.000 0.963 75 S CA 0.826 59.328 58.200 0.502 0.000 0.932 75 S CB -0.136 63.453 63.200 0.648 0.000 0.775 75 S HN 0.848 nan 8.310 nan 0.000 0.531 76 V N 1.773 121.971 119.914 0.473 0.000 3.141 76 V HA -0.099 4.020 4.120 -0.000 0.000 0.265 76 V C 2.205 178.446 176.094 0.246 0.000 1.126 76 V CA 1.422 63.966 62.300 0.406 0.000 1.141 76 V CB -1.202 30.800 31.823 0.299 0.000 0.743 76 V HN 0.498 nan 8.190 nan 0.000 0.492 77 T N -0.133 114.561 114.554 0.233 0.000 2.759 77 T HA -0.220 4.129 4.350 -0.000 0.000 0.269 77 T C 1.944 176.761 174.700 0.195 0.000 1.042 77 T CA 1.403 63.589 62.100 0.143 0.000 1.140 77 T CB -0.162 68.786 68.868 0.134 0.000 0.864 77 T HN 0.517 nan 8.240 nan 0.000 0.455 78 K N 0.611 121.199 120.400 0.312 0.000 2.026 78 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 78 K C -0.582 176.173 176.600 0.258 0.000 1.048 78 K CA 1.392 57.873 56.287 0.322 0.000 0.929 78 K CB -1.001 31.772 32.500 0.456 0.000 0.713 78 K HN 0.335 nan 8.250 nan 0.000 0.439 79 P HA -0.128 nan 4.420 nan 0.000 0.220 79 P C 1.291 178.644 177.300 0.088 0.000 1.148 79 P CA 1.306 64.505 63.100 0.164 0.000 0.803 79 P CB -0.053 31.700 31.700 0.089 0.000 0.782 80 I N -0.971 119.636 120.570 0.062 0.000 2.333 80 I HA -0.137 4.033 4.170 -0.000 0.000 0.246 80 I C 2.384 178.554 176.117 0.088 0.000 1.106 80 I CA 0.972 62.295 61.300 0.038 0.000 1.411 80 I CB -0.575 37.418 38.000 -0.012 0.000 1.082 80 I HN -0.226 nan 8.210 nan 0.000 0.420 81 V N 0.981 120.965 119.914 0.116 0.000 2.515 81 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 81 V C 2.636 178.785 176.094 0.092 0.000 1.058 81 V CA 1.724 64.100 62.300 0.126 0.000 1.064 81 V CB -0.814 31.106 31.823 0.162 0.000 0.675 81 V HN 0.459 nan 8.190 nan 0.000 0.461 82 A N -0.196 122.689 122.820 0.108 0.000 1.930 82 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 82 A C 2.191 179.827 177.584 0.088 0.000 1.175 82 A CA 1.430 53.520 52.037 0.088 0.000 0.627 82 A CB -0.437 18.645 19.000 0.137 0.000 0.815 82 A HN 0.494 nan 8.150 nan 0.000 0.443 83 L N -0.751 120.546 121.223 0.123 0.000 2.083 83 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 83 L C 3.103 180.043 176.870 0.117 0.000 1.083 83 L CA 0.974 55.917 54.840 0.171 0.000 0.752 83 L CB -0.550 41.665 42.059 0.260 0.000 0.899 83 L HN 0.452 nan 8.230 nan 0.000 0.433 84 A N -0.226 122.648 122.820 0.091 0.000 1.883 84 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 84 A C 2.343 179.911 177.584 -0.026 0.000 1.186 84 A CA 1.995 54.057 52.037 0.041 0.000 0.624 84 A CB -0.909 18.120 19.000 0.048 0.000 0.822 84 A HN 0.187 nan 8.150 nan 0.000 0.444 85 V N 0.090 119.980 119.914 -0.039 0.000 2.287 85 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 85 V C 2.573 178.606 176.094 -0.102 0.000 1.053 85 V CA 2.124 64.362 62.300 -0.104 0.000 1.027 85 V CB -0.762 30.989 31.823 -0.120 0.000 0.646 85 V HN 0.579 nan 8.190 nan 0.000 0.447 86 L N -0.794 120.397 121.223 -0.054 0.000 2.141 86 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 86 L C 2.778 179.597 176.870 -0.085 0.000 1.094 86 L CA 1.166 55.980 54.840 -0.043 0.000 0.763 86 L CB -0.605 41.474 42.059 0.033 0.000 0.908 86 L HN 0.224 nan 8.230 nan 0.000 0.437 87 R N 0.179 120.606 120.500 -0.121 0.000 2.115 87 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 87 R C 2.217 178.439 176.300 -0.130 0.000 1.111 87 R CA 1.121 57.106 56.100 -0.191 0.000 0.976 87 R CB -0.539 29.619 30.300 -0.237 0.000 0.870 87 R HN 0.402 nan 8.270 nan 0.000 0.445 88 L N 0.197 121.354 121.223 -0.110 0.000 2.056 88 L HA -0.134 4.205 4.340 -0.000 0.000 0.207 88 L C 2.491 179.309 176.870 -0.087 0.000 1.078 88 L CA 0.869 55.647 54.840 -0.103 0.000 0.749 88 L CB -0.497 41.477 42.059 -0.142 0.000 0.901 88 L HN -0.071 nan 8.230 nan 0.000 0.433 89 V N 0.264 120.122 119.914 -0.093 0.000 2.287 89 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 89 V C 2.756 178.827 176.094 -0.037 0.000 1.053 89 V CA 1.932 64.196 62.300 -0.060 0.000 1.027 89 V CB -0.928 30.861 31.823 -0.056 0.000 0.646 89 V HN 0.500 nan 8.190 nan 0.000 0.447 90 A N -0.405 122.383 122.820 -0.054 0.000 1.972 90 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 90 A C 2.337 179.896 177.584 -0.042 0.000 1.169 90 A CA 1.661 53.669 52.037 -0.048 0.000 0.635 90 A CB -0.486 18.465 19.000 -0.081 0.000 0.810 90 A HN 0.521 nan 8.150 nan 0.000 0.446 91 R N -1.755 118.715 120.500 -0.049 0.000 2.236 91 R HA 0.131 4.471 4.340 -0.000 0.000 0.208 91 R C 1.345 177.639 176.300 -0.010 0.000 1.036 91 R CA 0.622 56.701 56.100 -0.034 0.000 1.001 91 R CB -0.107 30.169 30.300 -0.040 0.000 0.896 91 R HN 0.713 nan 8.270 nan 0.000 0.464 92 G N 0.640 109.439 108.800 -0.003 0.000 2.141 92 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 92 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 92 G C 0.485 175.414 174.900 0.048 0.000 0.982 92 G CA 0.381 45.495 45.100 0.023 0.000 0.662 92 G HN 0.400 nan 8.290 nan 0.000 0.527 93 E N -0.733 119.485 120.200 0.031 0.000 2.340 93 E HA 0.388 4.738 4.350 -0.000 0.000 0.194 93 E C 1.250 177.914 176.600 0.107 0.000 0.996 93 E CA 0.440 56.881 56.400 0.069 0.000 0.869 93 E CB 0.242 29.953 29.700 0.019 0.000 0.835 93 E HN 0.619 nan 8.360 nan 0.000 0.493 94 L N -0.658 120.568 121.223 0.005 0.000 2.283 94 L HA 0.786 5.126 4.340 -0.000 0.000 0.259 94 L C -0.786 176.115 176.870 0.052 0.000 1.027 94 L CA -1.339 53.471 54.840 -0.050 0.000 0.828 94 L CB 1.931 43.786 42.059 -0.339 0.000 1.380 94 L HN -0.169 nan 8.230 nan 0.000 0.425 95 A N 0.167 123.046 122.820 0.099 0.000 2.486 95 A HA 0.563 4.882 4.320 -0.000 0.000 0.300 95 A C 0.181 177.794 177.584 0.050 0.000 1.048 95 A CA -0.543 51.542 52.037 0.080 0.000 0.696 95 A CB 1.385 20.453 19.000 0.113 0.000 1.278 95 A HN 0.732 nan 8.150 nan 0.000 0.405 96 L N 0.771 122.005 121.223 0.019 0.000 2.083 96 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 96 L C 1.800 178.680 176.870 0.017 0.000 1.083 96 L CA 1.857 56.697 54.840 0.000 0.000 0.752 96 L CB -0.196 41.887 42.059 0.041 0.000 0.899 96 L HN 0.914 nan 8.230 nan 0.000 0.433 97 D N -0.185 120.228 120.400 0.022 0.000 2.340 97 D HA 0.041 4.681 4.640 -0.000 0.000 0.220 97 D C 0.828 177.156 176.300 0.047 0.000 1.039 97 D CA 0.195 54.199 54.000 0.006 0.000 0.866 97 D CB 0.201 41.002 40.800 0.001 0.000 0.913 97 D HN 0.205 nan 8.370 nan 0.000 0.523 98 A N 2.177 125.062 122.820 0.109 0.000 2.302 98 A HA 0.466 4.785 4.320 -0.000 0.000 0.285 98 A C -2.370 175.324 177.584 0.183 0.000 1.105 98 A CA -1.353 50.779 52.037 0.159 0.000 0.816 98 A CB 0.427 19.600 19.000 0.289 0.000 1.067 98 A HN -0.035 nan 8.150 nan 0.000 0.489 99 P HA 0.044 nan 4.420 nan 0.000 0.275 99 P C 0.961 178.396 177.300 0.225 0.000 1.227 99 P CA -0.094 63.089 63.100 0.137 0.000 0.781 99 P CB 1.225 32.961 31.700 0.060 0.000 0.906 100 V N 3.389 123.440 119.914 0.228 0.000 2.469 100 V HA -0.232 3.887 4.120 -0.000 0.000 0.251 100 V C 2.226 178.472 176.094 0.253 0.000 1.064 100 V CA 3.136 65.595 62.300 0.264 0.000 1.066 100 V CB -1.526 30.384 31.823 0.145 0.000 0.667 100 V HN 0.758 nan 8.190 nan 0.000 0.461 101 T N -1.299 113.349 114.554 0.157 0.000 2.977 101 T HA -0.274 4.076 4.350 -0.000 0.000 0.271 101 T C 1.858 176.533 174.700 -0.041 0.000 1.105 101 T CA 1.526 63.676 62.100 0.083 0.000 1.116 101 T CB -0.681 68.217 68.868 0.050 0.000 0.878 101 T HN 0.626 nan 8.240 nan 0.000 0.509 102 R N -0.434 119.961 120.500 -0.175 0.000 2.193 102 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 102 R C 1.675 177.555 176.300 -0.701 0.000 1.110 102 R CA 1.304 57.066 56.100 -0.563 0.000 0.988 102 R CB -0.195 29.519 30.300 -0.977 0.000 0.871 102 R HN 0.586 nan 8.270 nan 0.000 0.458 103 W N -0.681 120.612 121.300 -0.011 0.000 2.871 103 W HA 0.259 4.919 4.660 -0.000 0.000 0.267 103 W C -0.027 176.481 176.519 -0.018 0.000 1.180 103 W CA -0.241 57.091 57.345 -0.021 0.000 1.463 103 W CB 0.489 29.926 29.460 -0.038 0.000 0.966 103 W HN -0.078 nan 8.180 nan 0.000 0.605 104 L N 1.712 123.053 121.223 0.197 0.000 2.581 104 L HA 0.234 4.574 4.340 -0.000 0.000 0.241 104 L C -1.697 175.250 176.870 0.128 0.000 1.265 104 L CA -1.492 53.430 54.840 0.137 0.000 0.954 104 L CB 0.860 42.982 42.059 0.105 0.000 1.269 104 L HN -0.415 nan 8.230 nan 0.000 0.475 105 P HA -0.194 nan 4.420 nan 0.000 0.216 105 P C 0.909 178.241 177.300 0.053 0.000 1.150 105 P CA 1.427 64.550 63.100 0.037 0.000 0.843 105 P CB 0.328 32.030 31.700 0.004 0.000 0.787 106 E N -2.222 118.018 120.200 0.066 0.000 2.502 106 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 106 E C 0.090 176.732 176.600 0.069 0.000 1.062 106 E CA -0.253 56.173 56.400 0.044 0.000 0.867 106 E CB -0.353 29.363 29.700 0.027 0.000 0.888 106 E HN 0.234 nan 8.360 nan 0.000 0.510 107 F N 2.532 122.470 119.950 -0.019 0.000 2.462 107 F HA 0.147 4.674 4.527 -0.000 0.000 0.354 107 F C 0.101 175.887 175.800 -0.023 0.000 1.192 107 F CA -0.277 57.708 58.000 -0.024 0.000 1.173 107 F CB 0.060 39.054 39.000 -0.011 0.000 1.402 107 F HN -0.286 nan 8.300 nan 0.000 0.595 108 R N 5.960 126.266 120.500 -0.324 0.000 2.681 108 R HA 0.236 4.576 4.340 -0.000 0.000 0.277 108 R C -2.673 173.446 176.300 -0.301 0.000 1.563 108 R CA -1.684 54.285 56.100 -0.219 0.000 1.673 108 R CB 0.276 30.513 30.300 -0.105 0.000 1.258 108 R HN 0.321 nan 8.270 nan 0.000 0.650 109 P HA -0.039 nan 4.420 nan 0.000 0.265 109 P C -0.324 176.866 177.300 -0.184 0.000 1.187 109 P CA 0.363 63.260 63.100 -0.339 0.000 0.766 109 P CB 0.852 32.355 31.700 -0.328 0.000 0.820 110 R N 1.536 121.945 120.500 -0.151 0.000 2.787 110 R HA 0.543 4.883 4.340 -0.000 0.000 0.271 110 R C 0.310 176.560 176.300 -0.083 0.000 0.993 110 R CA -1.173 54.867 56.100 -0.100 0.000 0.993 110 R CB 0.956 31.204 30.300 -0.086 0.000 1.155 110 R HN 0.351 nan 8.270 nan 0.000 0.486 111 L N 0.557 121.744 121.223 -0.059 0.000 2.482 111 L HA 0.243 4.582 4.340 -0.000 0.000 0.242 111 L C 1.520 178.369 176.870 -0.035 0.000 1.210 111 L CA 0.050 54.863 54.840 -0.045 0.000 0.819 111 L CB 0.313 42.357 42.059 -0.025 0.000 1.203 111 L HN 0.768 nan 8.230 nan 0.000 0.495 112 A N -0.507 122.301 122.820 -0.021 0.000 2.264 112 A HA -0.086 4.233 4.320 -0.000 0.000 0.207 112 A C 1.077 178.653 177.584 -0.014 0.000 1.196 112 A CA 1.251 53.278 52.037 -0.016 0.000 0.778 112 A CB -1.157 17.840 19.000 -0.005 0.000 0.779 112 A HN 0.933 nan 8.150 nan 0.000 0.483 113 D N -4.426 115.965 120.400 -0.014 0.000 2.454 113 D HA 0.365 5.004 4.640 -0.000 0.000 0.219 113 D C 1.154 177.444 176.300 -0.017 0.000 1.081 113 D CA 0.858 54.851 54.000 -0.012 0.000 0.867 113 D CB 0.158 40.954 40.800 -0.006 0.000 1.054 113 D HN 0.425 nan 8.370 nan 0.000 0.500 114 G N 0.345 109.130 108.800 -0.024 0.000 2.336 114 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.194 114 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.194 114 G C 0.407 175.289 174.900 -0.031 0.000 0.999 114 G CA -0.024 45.059 45.100 -0.030 0.000 0.669 114 G HN 0.682 nan 8.290 nan 0.000 0.482 115 S N 0.352 116.037 115.700 -0.024 0.000 2.572 115 S HA 0.496 4.965 4.470 -0.000 0.000 0.279 115 S C -0.043 174.539 174.600 -0.031 0.000 1.341 115 S CA 0.017 58.204 58.200 -0.022 0.000 1.043 115 S CB 1.825 65.018 63.200 -0.011 0.000 0.887 115 S HN 0.354 nan 8.310 nan 0.000 0.516 116 E N 3.202 123.385 120.200 -0.028 0.000 1.993 116 E HA 0.271 4.621 4.350 -0.000 0.000 0.271 116 E C -1.918 174.674 176.600 -0.013 0.000 1.008 116 E CA -1.811 54.569 56.400 -0.033 0.000 0.814 116 E CB 0.503 30.183 29.700 -0.033 0.000 1.098 116 E HN 0.583 nan 8.360 nan 0.000 0.407 117 P HA 0.074 nan 4.420 nan 0.000 0.276 117 P C -0.113 177.209 177.300 0.037 0.000 1.252 117 P CA -0.519 62.587 63.100 0.010 0.000 0.802 117 P CB 1.069 32.766 31.700 -0.004 0.000 1.035 118 L N 1.220 122.484 121.223 0.068 0.000 2.513 118 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 118 L C -0.427 176.551 176.870 0.180 0.000 1.187 118 L CA -0.060 54.850 54.840 0.117 0.000 0.895 118 L CB 0.361 42.502 42.059 0.137 0.000 1.147 118 L HN 0.084 nan 8.230 nan 0.000 0.483 119 V N 3.865 123.902 119.914 0.205 0.000 2.350 119 V HA 0.277 4.397 4.120 -0.000 0.000 0.285 119 V C 0.409 176.674 176.094 0.285 0.000 1.014 119 V CA -0.601 61.877 62.300 0.298 0.000 0.831 119 V CB 1.667 33.618 31.823 0.213 0.000 1.000 119 V HN 0.875 nan 8.190 nan 0.000 0.433 120 T N 2.146 116.890 114.554 0.317 0.000 2.912 120 T HA 0.476 4.826 4.350 -0.000 0.000 0.280 120 T C 1.264 176.001 174.700 0.061 0.000 0.989 120 T CA -0.748 61.414 62.100 0.104 0.000 0.995 120 T CB 1.274 70.102 68.868 -0.066 0.000 1.077 120 T HN 0.147 nan 8.240 nan 0.000 0.531 121 I N 0.753 121.339 120.570 0.027 0.000 2.264 121 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 121 I C 2.341 178.388 176.117 -0.116 0.000 1.111 121 I CA 1.900 63.161 61.300 -0.066 0.000 1.382 121 I CB -1.821 36.117 38.000 -0.104 0.000 1.060 121 I HN 0.942 nan 8.210 nan 0.000 0.418 122 H N 0.566 119.522 119.070 -0.190 0.000 2.319 122 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 122 H C 2.353 177.654 175.328 -0.045 0.000 1.092 122 H CA 2.082 58.020 56.048 -0.183 0.000 1.302 122 H CB -0.024 29.662 29.762 -0.127 0.000 1.373 122 H HN 0.299 nan 8.280 nan 0.000 0.497 123 H N -0.048 119.073 119.070 0.084 0.000 2.387 123 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 123 H C 2.524 177.801 175.328 -0.086 0.000 1.090 123 H CA 1.537 57.610 56.048 0.042 0.000 1.332 123 H CB -0.250 29.568 29.762 0.093 0.000 1.386 123 H HN 0.390 nan 8.280 nan 0.000 0.516 124 L N -0.199 121.022 121.223 -0.004 0.000 2.044 124 L HA -0.118 4.221 4.340 -0.000 0.000 0.205 124 L C 2.633 179.325 176.870 -0.295 0.000 1.075 124 L CA 0.612 55.360 54.840 -0.153 0.000 0.747 124 L CB -0.475 41.496 42.059 -0.146 0.000 0.903 124 L HN 0.131 nan 8.230 nan 0.000 0.435 125 L N -0.210 120.861 121.223 -0.254 0.000 2.079 125 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 125 L C 2.573 179.415 176.870 -0.047 0.000 1.081 125 L CA 1.883 56.595 54.840 -0.213 0.000 0.752 125 L CB -0.698 41.139 42.059 -0.370 0.000 0.896 125 L HN 0.475 nan 8.230 nan 0.000 0.433 126 T N -5.434 109.104 114.554 -0.026 0.000 3.100 126 T HA -0.038 4.312 4.350 -0.000 0.000 0.253 126 T C 0.609 175.390 174.700 0.134 0.000 1.118 126 T CA -0.158 62.068 62.100 0.210 0.000 1.058 126 T CB -0.183 68.782 68.868 0.162 0.000 0.953 126 T HN 0.356 nan 8.240 nan 0.000 0.515 127 H N 1.270 120.291 119.070 -0.082 0.000 2.770 127 H HA -0.127 4.429 4.556 -0.000 0.000 0.309 127 H C 0.645 175.822 175.328 -0.251 0.000 1.206 127 H CA 1.208 57.067 56.048 -0.316 0.000 1.147 127 H CB -2.332 27.011 29.762 -0.699 0.000 1.422 127 H HN 0.738 nan 8.280 nan 0.000 0.420 128 T N -3.946 110.663 114.554 0.092 0.000 3.132 128 T HA 0.161 4.510 4.350 -0.000 0.000 0.274 128 T C 1.692 176.503 174.700 0.184 0.000 1.011 128 T CA 0.325 62.581 62.100 0.261 0.000 0.899 128 T CB 0.272 69.353 68.868 0.354 0.000 1.089 128 T HN 0.349 nan 8.240 nan 0.000 0.543 129 S N 0.859 116.557 115.700 -0.004 0.000 2.461 129 S HA 0.377 4.847 4.470 -0.000 0.000 0.228 129 S C 2.101 176.516 174.600 -0.308 0.000 1.005 129 S CA 0.761 58.882 58.200 -0.131 0.000 0.942 129 S CB -0.608 62.560 63.200 -0.054 0.000 0.776 129 S HN 1.261 nan 8.310 nan 0.000 0.514 130 G N 0.522 108.958 108.800 -0.608 0.000 2.218 130 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 130 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 130 G C 0.006 174.541 174.900 -0.608 0.000 0.994 130 G CA -0.028 44.423 45.100 -1.080 0.000 0.637 130 G HN 0.486 nan 8.290 nan 0.000 0.505 131 L N 0.618 121.639 121.223 -0.336 0.000 2.472 131 L HA 0.600 4.940 4.340 -0.000 0.000 0.260 131 L C 1.400 178.136 176.870 -0.223 0.000 1.209 131 L CA 0.524 55.266 54.840 -0.163 0.000 0.817 131 L CB 0.723 42.735 42.059 -0.079 0.000 1.106 131 L HN 0.370 nan 8.230 nan 0.000 0.479 132 G N -1.140 107.564 108.800 -0.159 0.000 3.085 132 G HA2 0.531 4.491 3.960 -0.000 0.000 0.264 132 G HA3 0.531 4.491 3.960 -0.000 0.000 0.264 132 G C -2.148 172.546 174.900 -0.345 0.000 1.206 132 G CA -0.208 44.689 45.100 -0.339 0.000 0.809 132 G HN 0.279 nan 8.290 nan 0.000 0.592 133 Y N -1.764 118.329 120.300 -0.346 0.000 2.534 133 Y HA 0.357 4.907 4.550 -0.000 0.000 0.345 133 Y C 0.378 176.215 175.900 -0.105 0.000 1.031 133 Y CA -1.355 56.691 58.100 -0.089 0.000 1.022 133 Y CB 2.065 40.507 38.460 -0.029 0.000 1.292 133 Y HN 0.726 nan 8.280 nan 0.000 0.459 134 W N 3.363 124.812 121.300 0.249 0.000 2.321 134 W HA -0.261 4.398 4.660 -0.000 0.000 0.306 134 W C 1.822 178.367 176.519 0.043 0.000 1.217 134 W CA 2.710 60.151 57.345 0.160 0.000 1.257 134 W CB 0.011 29.595 29.460 0.207 0.000 1.145 134 W HN 0.647 nan 8.180 nan 0.000 0.509 135 L N -0.507 120.966 121.223 0.416 0.000 2.265 135 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 135 L C 1.957 178.830 176.870 0.006 0.000 1.117 135 L CA 1.804 56.787 54.840 0.239 0.000 0.782 135 L CB -1.119 41.002 42.059 0.103 0.000 0.914 135 L HN 0.115 nan 8.230 nan 0.000 0.441 136 L N -0.649 120.556 121.223 -0.030 0.000 2.093 136 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 136 L C 2.451 179.230 176.870 -0.152 0.000 1.085 136 L CA 1.530 56.325 54.840 -0.075 0.000 0.755 136 L CB -0.405 41.598 42.059 -0.094 0.000 0.904 136 L HN 0.423 nan 8.230 nan 0.000 0.435 137 E N -1.511 118.530 120.200 -0.266 0.000 2.391 137 E HA 0.190 4.540 4.350 -0.000 0.000 0.206 137 E C 1.065 177.383 176.600 -0.470 0.000 0.851 137 E CA 0.427 56.650 56.400 -0.295 0.000 1.059 137 E CB 0.954 30.502 29.700 -0.255 0.000 1.065 137 E HN 0.384 nan 8.360 nan 0.000 0.512 138 G N 1.921 110.177 108.800 -0.906 0.000 2.512 138 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 138 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 138 G C 0.112 174.374 174.900 -1.063 0.000 1.199 138 G CA -0.353 43.786 45.100 -1.602 0.000 0.941 138 G HN 0.504 nan 8.290 nan 0.000 0.569 139 A N 0.118 122.638 122.820 -0.501 0.000 2.546 139 A HA 0.596 4.916 4.320 -0.000 0.000 0.243 139 A C 2.136 179.654 177.584 -0.111 0.000 1.063 139 A CA 2.342 54.316 52.037 -0.105 0.000 0.757 139 A CB -0.396 18.635 19.000 0.051 0.000 0.991 139 A HN 2.940 nan 8.150 nan 0.000 0.503 140 G N 1.465 110.245 108.800 -0.035 0.000 2.199 140 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 140 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 140 G C 0.776 175.644 174.900 -0.053 0.000 0.982 140 G CA 1.092 46.174 45.100 -0.029 0.000 0.632 140 G HN 2.094 nan 8.290 nan 0.000 0.529 141 S N -0.635 114.997 115.700 -0.115 0.000 2.640 141 S HA 0.601 5.070 4.470 -0.000 0.000 0.262 141 S C 1.640 176.239 174.600 -0.002 0.000 1.232 141 S CA 0.196 58.340 58.200 -0.094 0.000 0.988 141 S CB 1.365 64.448 63.200 -0.196 0.000 1.034 141 S HN 0.741 nan 8.310 nan 0.000 0.569 142 V N 0.209 120.149 119.914 0.043 0.000 2.295 142 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 142 V C 2.217 178.422 176.094 0.184 0.000 1.049 142 V CA 1.809 64.174 62.300 0.107 0.000 1.024 142 V CB -1.330 30.575 31.823 0.138 0.000 0.648 142 V HN 0.816 nan 8.190 nan 0.000 0.447 143 Y N 0.571 120.865 120.300 -0.009 0.000 2.224 143 Y HA -0.202 4.348 4.550 -0.000 0.000 0.289 143 Y C 2.407 178.420 175.900 0.188 0.000 1.146 143 Y CA 1.516 59.665 58.100 0.081 0.000 1.182 143 Y CB -0.718 37.807 38.460 0.110 0.000 0.983 143 Y HN 0.366 nan 8.280 nan 0.000 0.524 144 D N -0.215 120.339 120.400 0.257 0.000 2.097 144 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 144 D C 2.051 178.483 176.300 0.219 0.000 0.989 144 D CA 1.380 55.578 54.000 0.329 0.000 0.827 144 D CB -0.000 40.896 40.800 0.160 0.000 0.966 144 D HN 0.187 nan 8.370 nan 0.000 0.456 145 R N -0.453 120.121 120.500 0.124 0.000 2.152 145 R HA -0.007 4.332 4.340 -0.000 0.000 0.232 145 R C 2.069 178.401 176.300 0.053 0.000 1.117 145 R CA 0.667 56.812 56.100 0.076 0.000 0.981 145 R CB -0.176 30.149 30.300 0.042 0.000 0.870 145 R HN 0.312 nan 8.270 nan 0.000 0.451 146 L N -0.407 120.843 121.223 0.045 0.000 2.592 146 L HA 0.205 4.545 4.340 -0.000 0.000 0.227 146 L C 0.980 177.848 176.870 -0.003 0.000 1.127 146 L CA 0.232 55.060 54.840 -0.020 0.000 0.884 146 L CB 0.236 42.234 42.059 -0.102 0.000 1.065 146 L HN 0.398 nan 8.230 nan 0.000 0.457 147 G N 1.297 110.154 108.800 0.094 0.000 2.176 147 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 147 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 147 G C 0.165 175.152 174.900 0.145 0.000 1.024 147 G CA -0.144 45.030 45.100 0.123 0.000 0.755 147 G HN 0.304 nan 8.290 nan 0.000 0.507 148 I N 1.254 121.917 120.570 0.155 0.000 2.496 148 I HA 0.365 4.535 4.170 -0.000 0.000 0.285 148 I C 0.936 177.224 176.117 0.285 0.000 1.080 148 I CA 0.148 61.544 61.300 0.159 0.000 1.404 148 I CB 1.491 39.481 38.000 -0.017 0.000 1.403 148 I HN 0.197 nan 8.210 nan 0.000 0.539 149 S N 3.898 119.781 115.700 0.306 0.000 2.489 149 S HA 0.238 4.708 4.470 -0.000 0.000 0.291 149 S C 0.420 175.204 174.600 0.307 0.000 1.151 149 S CA -0.745 57.607 58.200 0.254 0.000 1.082 149 S CB 1.076 64.453 63.200 0.296 0.000 1.019 149 S HN 0.551 nan 8.310 nan 0.000 0.492 150 D N 2.823 123.357 120.400 0.223 0.000 2.349 150 D HA 0.212 4.852 4.640 -0.000 0.000 0.224 150 D C 1.483 177.924 176.300 0.236 0.000 1.029 150 D CA 1.129 55.315 54.000 0.310 0.000 0.879 150 D CB -0.002 40.871 40.800 0.121 0.000 0.906 150 D HN 0.937 nan 8.370 nan 0.000 0.528 151 G N 0.410 109.306 108.800 0.162 0.000 2.175 151 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 151 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 151 G C 0.959 175.847 174.900 -0.019 0.000 0.982 151 G CA 0.155 45.304 45.100 0.082 0.000 0.641 151 G HN 0.340 nan 8.290 nan 0.000 0.527 152 I N 1.299 121.832 120.570 -0.061 0.000 3.790 152 I HA 0.159 4.329 4.170 -0.000 0.000 0.305 152 I C 1.192 177.253 176.117 -0.093 0.000 1.253 152 I CA 0.971 62.225 61.300 -0.075 0.000 1.355 152 I CB -0.408 37.456 38.000 -0.226 0.000 1.137 152 I HN 0.416 nan 8.210 nan 0.000 0.435 153 D N 1.404 121.713 120.400 -0.151 0.000 2.423 153 D HA 0.286 4.926 4.640 -0.000 0.000 0.255 153 D C -0.280 175.928 176.300 -0.153 0.000 1.174 153 D CA -0.528 53.387 54.000 -0.142 0.000 1.008 153 D CB 1.520 42.207 40.800 -0.189 0.000 1.101 153 D HN -0.173 nan 8.370 nan 0.000 0.516 154 L N 0.132 121.273 121.223 -0.136 0.000 2.280 154 L HA 0.432 4.772 4.340 -0.000 0.000 0.287 154 L C -0.824 175.935 176.870 -0.185 0.000 1.023 154 L CA -0.353 54.392 54.840 -0.158 0.000 0.819 154 L CB 0.545 42.545 42.059 -0.100 0.000 1.212 154 L HN 0.295 nan 8.230 nan 0.000 0.420 155 R N 2.502 122.832 120.500 -0.283 0.000 2.803 155 R HA 0.336 4.676 4.340 -0.000 0.000 0.276 155 R C -1.022 175.047 176.300 -0.386 0.000 0.978 155 R CA -0.837 55.020 56.100 -0.406 0.000 0.939 155 R CB 1.508 31.318 30.300 -0.817 0.000 1.179 155 R HN 0.471 nan 8.270 nan 0.000 0.472 156 D N 2.540 122.805 120.400 -0.225 0.000 2.741 156 D HA 0.241 4.880 4.640 -0.000 0.000 0.233 156 D C -0.993 175.356 176.300 0.082 0.000 1.160 156 D CA -0.048 53.919 54.000 -0.055 0.000 1.003 156 D CB -0.601 40.216 40.800 0.027 0.000 1.064 156 D HN 0.318 nan 8.370 nan 0.000 0.503 157 F N -1.019 118.993 119.950 0.103 0.000 2.773 157 F HA 0.437 4.964 4.527 -0.000 0.000 0.314 157 F C -0.746 175.135 175.800 0.135 0.000 1.160 157 F CA -1.417 56.634 58.000 0.085 0.000 0.920 157 F CB 0.294 39.321 39.000 0.046 0.000 1.323 157 F HN -0.147 nan 8.300 nan 0.000 0.457 158 D N 0.755 121.363 120.400 0.347 0.000 2.564 158 D HA 0.312 4.952 4.640 -0.000 0.000 0.273 158 D C 0.883 177.159 176.300 -0.040 0.000 1.192 158 D CA -0.539 53.584 54.000 0.205 0.000 1.080 158 D CB 0.478 41.353 40.800 0.125 0.000 1.160 158 D HN 0.664 nan 8.370 nan 0.000 0.607 159 L N 0.040 121.153 121.223 -0.185 0.000 2.056 159 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 159 L C 1.290 178.027 176.870 -0.222 0.000 1.078 159 L CA 1.924 56.498 54.840 -0.442 0.000 0.749 159 L CB -0.987 40.967 42.059 -0.174 0.000 0.901 159 L HN 0.318 nan 8.230 nan 0.000 0.433 160 D N -0.444 119.898 120.400 -0.096 0.000 2.149 160 D HA -0.232 4.407 4.640 -0.000 0.000 0.198 160 D C 2.056 178.314 176.300 -0.070 0.000 0.990 160 D CA 1.435 55.402 54.000 -0.055 0.000 0.839 160 D CB 0.058 40.845 40.800 -0.021 0.000 0.948 160 D HN 0.499 nan 8.370 nan 0.000 0.460 161 E N 0.906 121.060 120.200 -0.076 0.000 2.072 161 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 161 E C 1.711 178.160 176.600 -0.252 0.000 0.982 161 E CA 1.059 57.365 56.400 -0.157 0.000 0.803 161 E CB -0.344 29.262 29.700 -0.157 0.000 0.755 161 E HN 0.059 nan 8.360 nan 0.000 0.453 162 N N -0.411 118.184 118.700 -0.175 0.000 2.166 162 N HA -0.084 4.655 4.740 -0.000 0.000 0.186 162 N C 1.597 177.048 175.510 -0.097 0.000 1.019 162 N CA 1.278 54.253 53.050 -0.124 0.000 0.856 162 N CB -0.095 38.352 38.487 -0.067 0.000 0.993 162 N HN 0.246 nan 8.380 nan 0.000 0.426 163 L N -0.279 120.902 121.223 -0.071 0.000 2.240 163 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 163 L C 2.524 179.447 176.870 0.088 0.000 1.106 163 L CA 0.465 55.343 54.840 0.064 0.000 0.793 163 L CB -0.380 41.715 42.059 0.061 0.000 0.927 163 L HN 0.228 nan 8.230 nan 0.000 0.446 164 R N 0.947 121.437 120.500 -0.017 0.000 2.073 164 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 164 R C 2.431 178.654 176.300 -0.128 0.000 1.134 164 R CA 1.501 57.560 56.100 -0.068 0.000 0.952 164 R CB -0.065 30.181 30.300 -0.090 0.000 0.850 164 R HN 0.283 nan 8.270 nan 0.000 0.433 165 R N 0.241 120.642 120.500 -0.165 0.000 2.081 165 R HA -0.154 4.185 4.340 -0.000 0.000 0.235 165 R C 2.394 178.566 176.300 -0.213 0.000 1.131 165 R CA 1.422 57.406 56.100 -0.194 0.000 0.960 165 R CB -0.537 29.629 30.300 -0.223 0.000 0.856 165 R HN 0.198 nan 8.270 nan 0.000 0.436 166 L N 0.850 121.971 121.223 -0.170 0.000 2.046 166 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 166 L C 2.185 178.906 176.870 -0.247 0.000 1.077 166 L CA 1.974 56.691 54.840 -0.205 0.000 0.747 166 L CB -0.625 41.433 42.059 -0.002 0.000 0.896 166 L HN 0.145 nan 8.230 nan 0.000 0.432 167 A N -1.317 121.330 122.820 -0.289 0.000 2.121 167 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 167 A C 2.368 179.727 177.584 -0.375 0.000 1.154 167 A CA 1.420 53.097 52.037 -0.600 0.000 0.679 167 A CB -0.878 17.637 19.000 -0.809 0.000 0.795 167 A HN 0.656 nan 8.150 nan 0.000 0.458 168 S N -0.632 114.909 115.700 -0.265 0.000 2.527 168 S HA 0.482 4.952 4.470 -0.000 0.000 0.222 168 S C 0.939 175.428 174.600 -0.184 0.000 0.985 168 S CA 0.376 58.455 58.200 -0.202 0.000 0.921 168 S CB -0.463 62.639 63.200 -0.163 0.000 0.772 168 S HN 0.796 nan 8.310 nan 0.000 0.529 169 A N 2.576 125.265 122.820 -0.219 0.000 2.322 169 A HA 0.668 4.988 4.320 -0.000 0.000 0.269 169 A C -2.638 174.881 177.584 -0.108 0.000 1.094 169 A CA -1.697 50.245 52.037 -0.158 0.000 0.807 169 A CB -0.246 18.625 19.000 -0.215 0.000 1.047 169 A HN 0.333 nan 8.150 nan 0.000 0.487 170 P HA 0.305 nan 4.420 nan 0.000 0.275 170 P C -0.544 176.725 177.300 -0.051 0.000 1.227 170 P CA -0.196 62.870 63.100 -0.058 0.000 0.781 170 P CB 0.409 32.088 31.700 -0.035 0.000 0.906 171 L N 1.555 122.721 121.223 -0.095 0.000 2.483 171 L HA -0.011 4.329 4.340 -0.000 0.000 0.276 171 L C 1.619 178.396 176.870 -0.154 0.000 1.213 171 L CA 0.450 55.200 54.840 -0.149 0.000 0.843 171 L CB 0.060 42.010 42.059 -0.182 0.000 1.107 171 L HN 0.452 nan 8.230 nan 0.000 0.487 172 S N 1.602 117.141 115.700 -0.268 0.000 2.489 172 S HA 0.129 4.599 4.470 -0.000 0.000 0.228 172 S C -0.288 174.302 174.600 -0.018 0.000 0.995 172 S CA 0.439 58.536 58.200 -0.172 0.000 0.934 172 S CB -0.127 62.946 63.200 -0.212 0.000 0.771 172 S HN 0.515 nan 8.310 nan 0.000 0.522 173 F N -2.111 117.823 119.950 -0.027 0.000 2.842 173 F HA 0.688 5.215 4.527 -0.000 0.000 0.319 173 F C -0.943 174.835 175.800 -0.037 0.000 1.159 173 F CA -2.134 55.852 58.000 -0.024 0.000 0.902 173 F CB 0.388 39.380 39.000 -0.014 0.000 1.311 173 F HN -0.200 nan 8.300 nan 0.000 0.453 174 A N 1.696 124.683 122.820 0.278 0.000 2.450 174 A HA 0.620 4.940 4.320 -0.000 0.000 0.255 174 A C -2.618 175.064 177.584 0.163 0.000 1.096 174 A CA -1.482 50.637 52.037 0.137 0.000 0.778 174 A CB -0.710 18.350 19.000 0.101 0.000 1.031 174 A HN 0.504 nan 8.150 nan 0.000 0.494 175 P HA 0.091 nan 4.420 nan 0.000 0.257 175 P C 1.151 178.325 177.300 -0.211 0.000 1.162 175 P CA 2.320 65.237 63.100 -0.305 0.000 0.762 175 P CB 0.366 31.717 31.700 -0.582 0.000 0.753 176 G N 2.832 111.624 108.800 -0.013 0.000 2.217 176 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.246 176 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.246 176 G C 1.071 176.079 174.900 0.178 0.000 0.990 176 G CA 0.444 45.681 45.100 0.228 0.000 0.627 176 G HN 0.612 nan 8.290 nan 0.000 0.522 177 S N -0.121 115.665 115.700 0.143 0.000 2.548 177 S HA 0.600 5.070 4.470 -0.000 0.000 0.215 177 S C 1.105 175.585 174.600 -0.199 0.000 0.976 177 S CA 1.014 59.228 58.200 0.024 0.000 0.908 177 S CB 0.794 64.026 63.200 0.053 0.000 0.781 177 S HN 2.047 nan 8.310 nan 0.000 0.519 178 G N -0.298 108.295 108.800 -0.345 0.000 2.548 178 G HA2 0.453 4.413 3.960 -0.000 0.000 0.301 178 G HA3 0.453 4.413 3.960 -0.000 0.000 0.301 178 G C -2.485 172.298 174.900 -0.195 0.000 1.349 178 G CA -0.981 43.727 45.100 -0.654 0.000 0.792 178 G HN 0.300 nan 8.290 nan 0.000 0.481 179 W N 0.509 121.673 121.300 -0.227 0.000 2.785 179 W HA 0.763 5.423 4.660 -0.000 0.000 0.333 179 W C -0.517 176.127 176.519 0.208 0.000 1.062 179 W CA -0.667 56.730 57.345 0.088 0.000 1.233 179 W CB 2.038 31.522 29.460 0.040 0.000 1.413 179 W HN 0.661 nan 8.180 nan 0.000 0.489 180 Q N 5.541 125.013 119.800 -0.546 0.000 2.364 180 Q HA 0.137 4.477 4.340 -0.000 0.000 0.251 180 Q C -1.762 173.726 176.000 -0.854 0.000 0.927 180 Q CA -0.823 54.685 55.803 -0.492 0.000 0.924 180 Q CB 1.142 29.895 28.738 0.026 0.000 1.419 180 Q HN 0.508 nan 8.270 nan 0.000 0.427 181 Y N 2.737 122.393 120.300 -1.073 0.000 2.712 181 Y HA 0.321 4.871 4.550 -0.000 0.000 0.333 181 Y C -0.237 175.469 175.900 -0.323 0.000 1.225 181 Y CA 1.349 58.985 58.100 -0.773 0.000 1.499 181 Y CB 0.643 38.956 38.460 -0.245 0.000 1.288 181 Y HN 0.672 nan 8.280 nan 0.000 0.575 182 S N 3.680 118.965 115.700 -0.693 0.000 2.615 182 S HA 0.340 4.810 4.470 -0.000 0.000 0.269 182 S C -0.357 173.590 174.600 -1.089 0.000 1.161 182 S CA -1.015 56.743 58.200 -0.737 0.000 0.817 182 S CB 0.675 63.686 63.200 -0.314 0.000 1.131 182 S HN 0.621 nan 8.310 nan 0.000 0.467 183 L N 1.361 121.966 121.223 -1.031 0.000 2.700 183 L HA 0.126 4.466 4.340 -0.000 0.000 0.240 183 L C 2.554 179.277 176.870 -0.245 0.000 1.162 183 L CA 0.714 55.207 54.840 -0.578 0.000 0.874 183 L CB -0.860 41.044 42.059 -0.259 0.000 1.001 183 L HN 0.925 nan 8.230 nan 0.000 0.447 184 A N -0.152 122.534 122.820 -0.224 0.000 2.024 184 A HA -0.177 4.142 4.320 -0.000 0.000 0.220 184 A C 2.105 179.588 177.584 -0.169 0.000 1.164 184 A CA 1.246 53.159 52.037 -0.206 0.000 0.643 184 A CB -0.281 18.536 19.000 -0.305 0.000 0.806 184 A HN 0.336 nan 8.150 nan 0.000 0.451 185 L N -0.512 120.665 121.223 -0.077 0.000 2.313 185 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 185 L C 1.428 178.310 176.870 0.019 0.000 1.119 185 L CA 1.705 56.542 54.840 -0.006 0.000 0.809 185 L CB -1.295 40.836 42.059 0.120 0.000 0.933 185 L HN 0.375 nan 8.230 nan 0.000 0.449 186 D N -0.663 119.752 120.400 0.025 0.000 2.149 186 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 186 D C 2.337 178.604 176.300 -0.056 0.000 0.972 186 D CA 0.690 54.720 54.000 0.050 0.000 0.835 186 D CB 0.155 41.020 40.800 0.109 0.000 0.966 186 D HN 0.004 nan 8.370 nan 0.000 0.476 187 V N 0.715 120.535 119.914 -0.155 0.000 2.287 187 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 187 V C 2.413 178.363 176.094 -0.240 0.000 1.053 187 V CA 1.305 63.422 62.300 -0.305 0.000 1.027 187 V CB -0.523 31.012 31.823 -0.480 0.000 0.646 187 V HN 0.258 nan 8.190 nan 0.000 0.447 188 L N 0.410 121.524 121.223 -0.182 0.000 2.131 188 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 188 L C 2.605 179.398 176.870 -0.128 0.000 1.092 188 L CA 1.452 56.192 54.840 -0.168 0.000 0.759 188 L CB -1.013 40.959 42.059 -0.145 0.000 0.903 188 L HN 0.483 nan 8.230 nan 0.000 0.435 189 G N -0.393 108.366 108.800 -0.068 0.000 2.440 189 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 189 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 189 G C 1.756 176.611 174.900 -0.075 0.000 1.154 189 G CA 0.806 45.883 45.100 -0.037 0.000 0.767 189 G HN 0.474 nan 8.290 nan 0.000 0.552 190 A N 0.060 122.827 122.820 -0.089 0.000 1.930 190 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 190 A C 2.598 180.127 177.584 -0.091 0.000 1.175 190 A CA 1.674 53.659 52.037 -0.085 0.000 0.627 190 A CB -0.566 18.375 19.000 -0.099 0.000 0.815 190 A HN 0.244 nan 8.150 nan 0.000 0.443 191 V N -0.263 119.567 119.914 -0.140 0.000 2.287 191 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 191 V C 2.587 178.518 176.094 -0.271 0.000 1.053 191 V CA 2.091 64.266 62.300 -0.208 0.000 1.027 191 V CB -0.782 30.847 31.823 -0.324 0.000 0.646 191 V HN 0.380 nan 8.190 nan 0.000 0.447 192 V N -0.241 119.542 119.914 -0.219 0.000 2.343 192 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 192 V C 2.416 178.438 176.094 -0.120 0.000 1.051 192 V CA 2.119 64.309 62.300 -0.183 0.000 1.036 192 V CB -0.687 31.062 31.823 -0.123 0.000 0.654 192 V HN 0.628 nan 8.190 nan 0.000 0.451 193 E N -0.237 119.909 120.200 -0.090 0.000 2.058 193 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 193 E C 2.537 179.125 176.600 -0.020 0.000 0.997 193 E CA 1.132 57.499 56.400 -0.055 0.000 0.801 193 E CB -0.186 29.484 29.700 -0.050 0.000 0.746 193 E HN 0.436 nan 8.360 nan 0.000 0.450 194 R N 0.346 120.848 120.500 0.002 0.000 2.073 194 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 194 R C 2.238 178.611 176.300 0.122 0.000 1.134 194 R CA 1.259 57.413 56.100 0.090 0.000 0.952 194 R CB -0.893 29.524 30.300 0.196 0.000 0.850 194 R HN 0.169 nan 8.270 nan 0.000 0.433 195 A N 0.715 123.553 122.820 0.031 0.000 1.969 195 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 195 A C 2.107 179.704 177.584 0.022 0.000 1.169 195 A CA 2.063 54.119 52.037 0.030 0.000 0.635 195 A CB -0.529 18.336 19.000 -0.225 0.000 0.810 195 A HN 0.523 nan 8.150 nan 0.000 0.445 196 T N -5.106 109.440 114.554 -0.013 0.000 3.014 196 T HA 0.400 4.750 4.350 -0.000 0.000 0.250 196 T C 1.403 176.107 174.700 0.007 0.000 1.060 196 T CA 1.077 63.173 62.100 -0.007 0.000 1.040 196 T CB 0.065 68.918 68.868 -0.025 0.000 0.971 196 T HN 1.657 nan 8.240 nan 0.000 0.497 197 G N 1.445 110.252 108.800 0.013 0.000 2.179 197 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 197 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 197 G C -0.307 174.594 174.900 0.002 0.000 1.010 197 G CA 0.336 45.445 45.100 0.014 0.000 0.736 197 G HN 0.721 nan 8.290 nan 0.000 0.513 198 Q N -0.525 119.269 119.800 -0.010 0.000 2.433 198 Q HA 0.551 4.891 4.340 -0.000 0.000 0.279 198 Q C -2.716 173.262 176.000 -0.036 0.000 1.105 198 Q CA -2.344 53.449 55.803 -0.017 0.000 0.815 198 Q CB 2.369 31.098 28.738 -0.016 0.000 1.403 198 Q HN 0.132 nan 8.270 nan 0.000 0.435 199 P HA -0.054 nan 4.420 nan 0.000 0.269 199 P C 0.266 177.489 177.300 -0.128 0.000 1.215 199 P CA -0.286 62.768 63.100 -0.077 0.000 0.780 199 P CB 0.587 32.247 31.700 -0.067 0.000 0.898 200 L N 3.113 124.209 121.223 -0.212 0.000 2.042 200 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 200 L C 2.202 178.858 176.870 -0.355 0.000 1.076 200 L CA 2.428 57.093 54.840 -0.292 0.000 0.749 200 L CB -1.707 40.101 42.059 -0.418 0.000 0.893 200 L HN 0.461 nan 8.230 nan 0.000 0.432 201 A N -0.724 121.794 122.820 -0.504 0.000 1.908 201 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 201 A C 2.436 180.028 177.584 0.013 0.000 1.181 201 A CA 2.032 53.949 52.037 -0.201 0.000 0.627 201 A CB -1.142 17.823 19.000 -0.058 0.000 0.818 201 A HN 0.564 nan 8.150 nan 0.000 0.445 202 A N -0.437 122.369 122.820 -0.023 0.000 1.930 202 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 202 A C 2.468 180.060 177.584 0.014 0.000 1.175 202 A CA 1.850 53.894 52.037 0.011 0.000 0.627 202 A CB -0.876 18.125 19.000 0.001 0.000 0.815 202 A HN 1.000 nan 8.150 nan 0.000 0.443 203 A N -0.501 122.313 122.820 -0.010 0.000 1.873 203 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 203 A C 2.199 179.802 177.584 0.032 0.000 1.186 203 A CA 1.719 53.754 52.037 -0.002 0.000 0.616 203 A CB -0.928 18.054 19.000 -0.031 0.000 0.823 203 A HN 0.366 nan 8.150 nan 0.000 0.442 204 V N 0.449 120.404 119.914 0.067 0.000 2.407 204 V HA -0.263 3.856 4.120 -0.000 0.000 0.248 204 V C 2.279 178.432 176.094 0.100 0.000 1.055 204 V CA 2.486 64.858 62.300 0.120 0.000 1.049 204 V CB -0.825 31.145 31.823 0.245 0.000 0.662 204 V HN 0.701 nan 8.190 nan 0.000 0.455 205 D N 0.072 120.527 120.400 0.091 0.000 2.117 205 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 205 D C 2.109 178.444 176.300 0.057 0.000 0.987 205 D CA 1.523 55.564 54.000 0.067 0.000 0.829 205 D CB -0.114 40.723 40.800 0.063 0.000 0.961 205 D HN 0.397 nan 8.370 nan 0.000 0.460 206 A N -0.383 122.467 122.820 0.050 0.000 1.929 206 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 206 A C 2.255 179.871 177.584 0.053 0.000 1.176 206 A CA 0.735 52.798 52.037 0.043 0.000 0.628 206 A CB -0.534 18.482 19.000 0.027 0.000 0.816 206 A HN 0.324 nan 8.150 nan 0.000 0.444 207 L N -1.308 119.950 121.223 0.058 0.000 2.209 207 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 207 L C 1.875 178.840 176.870 0.159 0.000 1.094 207 L CA 0.639 55.517 54.840 0.062 0.000 0.790 207 L CB 0.086 42.165 42.059 0.033 0.000 0.932 207 L HN 0.265 nan 8.230 nan 0.000 0.447 208 V N -1.874 118.143 119.914 0.171 0.000 3.161 208 V HA 0.207 4.327 4.120 -0.000 0.000 0.221 208 V C 2.160 178.313 176.094 0.098 0.000 1.296 208 V CA 0.844 63.282 62.300 0.229 0.000 1.306 208 V CB 0.062 31.988 31.823 0.172 0.000 1.171 208 V HN 0.177 nan 8.190 nan 0.000 0.513 209 A N -0.361 122.491 122.820 0.053 0.000 1.898 209 A HA -0.191 4.128 4.320 -0.000 0.000 0.216 209 A C 2.083 179.673 177.584 0.011 0.000 1.181 209 A CA 1.632 53.672 52.037 0.004 0.000 0.620 209 A CB -0.421 18.576 19.000 -0.005 0.000 0.819 209 A HN 0.500 nan 8.150 nan 0.000 0.442 210 Q N -0.558 119.264 119.800 0.037 0.000 2.020 210 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 210 Q C -0.141 175.884 176.000 0.043 0.000 0.982 210 Q CA 1.948 57.772 55.803 0.035 0.000 0.838 210 Q CB -1.741 27.021 28.738 0.040 0.000 0.899 210 Q HN 0.497 nan 8.270 nan 0.000 0.423 211 P HA -0.084 nan 4.420 nan 0.000 0.220 211 P C 1.016 178.341 177.300 0.043 0.000 1.148 211 P CA 1.079 64.245 63.100 0.108 0.000 0.803 211 P CB -0.058 31.793 31.700 0.251 0.000 0.782 212 L N -2.455 118.752 121.223 -0.027 0.000 2.607 212 L HA 0.317 4.657 4.340 -0.000 0.000 0.228 212 L C 1.174 177.992 176.870 -0.086 0.000 1.123 212 L CA 0.386 55.152 54.840 -0.124 0.000 0.890 212 L CB -0.707 41.200 42.059 -0.253 0.000 1.103 212 L HN 0.097 nan 8.230 nan 0.000 0.468 213 G N 0.931 109.704 108.800 -0.045 0.000 2.176 213 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 213 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 213 G C 0.200 175.072 174.900 -0.046 0.000 1.024 213 G CA -0.015 45.062 45.100 -0.037 0.000 0.755 213 G HN 0.314 nan 8.290 nan 0.000 0.507 214 M N 0.521 120.088 119.600 -0.054 0.000 2.319 214 M HA 0.287 4.766 4.480 -0.000 0.000 0.343 214 M C 1.667 177.941 176.300 -0.044 0.000 1.364 214 M CA -0.185 55.077 55.300 -0.063 0.000 1.292 214 M CB 0.458 33.007 32.600 -0.084 0.000 1.432 214 M HN 0.399 nan 8.290 nan 0.000 0.448 215 R N 0.065 120.545 120.500 -0.033 0.000 2.280 215 R HA 0.122 4.462 4.340 -0.000 0.000 0.195 215 R C -0.296 176.004 176.300 0.001 0.000 0.935 215 R CA 0.357 56.450 56.100 -0.012 0.000 1.033 215 R CB 0.279 30.574 30.300 -0.008 0.000 0.964 215 R HN 0.463 nan 8.270 nan 0.000 0.489 216 D N 1.483 121.875 120.400 -0.014 0.000 2.804 216 D HA 0.150 4.790 4.640 -0.000 0.000 0.308 216 D C -0.387 175.905 176.300 -0.014 0.000 1.371 216 D CA -0.170 53.845 54.000 0.025 0.000 0.823 216 D CB 0.887 41.694 40.800 0.012 0.000 1.126 216 D HN 0.300 nan 8.370 nan 0.000 0.467 217 C N -1.903 117.302 119.300 -0.159 0.000 2.971 217 C HA 1.030 5.490 4.460 -0.000 0.000 0.310 217 C C 0.511 175.087 174.990 -0.690 0.000 1.285 217 C CA -0.437 58.282 59.018 -0.498 0.000 1.593 217 C CB 1.648 29.194 27.740 -0.324 0.000 2.076 217 C HN 0.333 nan 8.230 nan 0.000 0.472 218 G N -0.167 107.940 108.800 -1.156 0.000 2.335 218 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 218 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 218 G C -0.936 173.649 174.900 -0.525 0.000 1.261 218 G CA -0.224 44.527 45.100 -0.582 0.000 0.871 218 G HN 0.584 nan 8.290 nan 0.000 0.491 219 F N -0.712 119.261 119.950 0.038 0.000 2.592 219 F HA 0.487 5.014 4.527 -0.000 0.000 0.280 219 F C 0.828 176.784 175.800 0.260 0.000 1.083 219 F CA 0.127 58.214 58.000 0.145 0.000 1.365 219 F CB 1.177 40.226 39.000 0.081 0.000 1.100 219 F HN 0.238 nan 8.300 nan 0.000 0.633 220 V N -0.177 120.025 119.914 0.481 0.000 2.638 220 V HA 0.477 4.597 4.120 -0.000 0.000 0.306 220 V C -0.514 175.742 176.094 0.269 0.000 1.052 220 V CA -0.883 61.584 62.300 0.277 0.000 0.885 220 V CB 1.655 33.592 31.823 0.189 0.000 0.999 220 V HN 0.009 nan 8.190 nan 0.000 0.424 221 S N 2.819 118.546 115.700 0.045 0.000 2.532 221 S HA 0.780 5.250 4.470 -0.000 0.000 0.301 221 S C 0.524 175.232 174.600 0.179 0.000 1.083 221 S CA 0.221 58.424 58.200 0.004 0.000 1.025 221 S CB 1.935 64.972 63.200 -0.271 0.000 1.056 221 S HN 1.071 nan 8.310 nan 0.000 0.494 222 A N 2.957 125.852 122.820 0.125 0.000 2.535 222 A HA 0.409 4.728 4.320 -0.000 0.000 0.273 222 A C -0.039 177.543 177.584 -0.003 0.000 1.267 222 A CA -0.310 51.765 52.037 0.063 0.000 0.940 222 A CB -0.014 19.008 19.000 0.036 0.000 1.101 222 A HN 0.809 nan 8.150 nan 0.000 0.521 223 E N 0.986 121.231 120.200 0.075 0.000 3.167 223 E HA 0.144 4.494 4.350 -0.000 0.000 0.212 223 E C -2.081 174.591 176.600 0.121 0.000 1.143 223 E CA -1.824 54.604 56.400 0.047 0.000 1.002 223 E CB 1.009 30.754 29.700 0.075 0.000 1.315 223 E HN 0.258 nan 8.360 nan 0.000 0.422 224 P HA -0.192 nan 4.420 nan 0.000 0.219 224 P C 0.968 178.295 177.300 0.045 0.000 1.146 224 P CA 0.996 63.943 63.100 -0.255 0.000 0.808 224 P CB 0.455 31.656 31.700 -0.833 0.000 0.779 225 E N -0.109 120.082 120.200 -0.014 0.000 2.338 225 E HA -0.109 4.240 4.350 -0.000 0.000 0.197 225 E C 1.881 178.487 176.600 0.011 0.000 1.007 225 E CA 0.574 56.967 56.400 -0.010 0.000 0.849 225 E CB -0.053 29.624 29.700 -0.039 0.000 0.774 225 E HN 0.355 nan 8.360 nan 0.000 0.506 226 R N -0.826 119.703 120.500 0.049 0.000 2.276 226 R HA 0.086 4.426 4.340 -0.000 0.000 0.196 226 R C 0.253 176.453 176.300 -0.166 0.000 0.961 226 R CA -0.024 56.036 56.100 -0.067 0.000 1.024 226 R CB 0.260 30.486 30.300 -0.124 0.000 0.940 226 R HN -0.064 nan 8.270 nan 0.000 0.480 227 F N 0.653 120.542 119.950 -0.102 0.000 2.377 227 F HA 0.357 4.884 4.527 -0.000 0.000 0.328 227 F C 0.691 176.356 175.800 -0.225 0.000 1.094 227 F CA -1.121 56.782 58.000 -0.162 0.000 1.093 227 F CB 0.792 39.764 39.000 -0.047 0.000 1.214 227 F HN -0.079 nan 8.300 nan 0.000 0.518 228 A N 2.437 125.099 122.820 -0.264 0.000 2.451 228 A HA 0.446 4.765 4.320 -0.000 0.000 0.266 228 A C -0.497 177.080 177.584 -0.012 0.000 1.119 228 A CA -0.484 51.411 52.037 -0.236 0.000 0.786 228 A CB -0.273 18.369 19.000 -0.597 0.000 1.061 228 A HN 0.523 nan 8.150 nan 0.000 0.503 229 V N 6.087 126.025 119.914 0.041 0.000 2.508 229 V HA 0.162 4.282 4.120 -0.000 0.000 0.281 229 V C -2.030 174.013 176.094 -0.085 0.000 1.041 229 V CA -0.930 61.352 62.300 -0.031 0.000 1.016 229 V CB 0.932 32.717 31.823 -0.064 0.000 0.984 229 V HN 0.749 nan 8.190 nan 0.000 0.478 230 P HA 0.296 nan 4.420 nan 0.000 0.276 230 P C -1.249 175.826 177.300 -0.375 0.000 1.235 230 P CA 0.066 63.097 63.100 -0.115 0.000 0.772 230 P CB 0.271 31.951 31.700 -0.034 0.000 0.871 231 Y N 1.440 121.683 120.300 -0.094 0.000 2.549 231 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 231 Y C 1.004 176.783 175.900 -0.201 0.000 1.053 231 Y CA -0.392 57.611 58.100 -0.161 0.000 1.105 231 Y CB 1.268 39.651 38.460 -0.128 0.000 1.258 231 Y HN 0.475 nan 8.280 nan 0.000 0.478 232 H N -2.074 116.964 119.070 -0.053 0.000 2.670 232 H HA 0.470 5.026 4.556 -0.000 0.000 0.361 232 H C -1.200 174.085 175.328 -0.072 0.000 1.169 232 H CA -1.358 54.586 56.048 -0.173 0.000 1.198 232 H CB 0.747 30.359 29.762 -0.250 0.000 1.700 232 H HN 0.412 nan 8.280 nan 0.000 0.542 233 D N 0.391 120.866 120.400 0.126 0.000 2.478 233 D HA 0.389 5.029 4.640 -0.000 0.000 0.234 233 D C 0.585 176.982 176.300 0.162 0.000 1.154 233 D CA 1.552 55.612 54.000 0.100 0.000 0.874 233 D CB 0.916 41.763 40.800 0.078 0.000 1.198 233 D HN 0.895 nan 8.370 nan 0.000 0.455 234 G N 0.396 109.237 108.800 0.069 0.000 2.523 234 G HA2 0.468 4.428 3.960 -0.000 0.000 0.291 234 G HA3 0.468 4.428 3.960 -0.000 0.000 0.291 234 G C -1.981 172.939 174.900 0.032 0.000 1.450 234 G CA -0.781 44.361 45.100 0.070 0.000 0.790 234 G HN 0.315 nan 8.290 nan 0.000 0.496 235 Q N 0.553 120.373 119.800 0.034 0.000 2.304 235 Q HA 0.403 4.743 4.340 -0.000 0.000 0.270 235 Q C -2.142 173.868 176.000 0.017 0.000 1.035 235 Q CA -1.768 54.047 55.803 0.020 0.000 0.781 235 Q CB 2.584 31.335 28.738 0.022 0.000 1.261 235 Q HN 0.531 nan 8.270 nan 0.000 0.444 236 P HA -0.020 nan 4.420 nan 0.000 0.236 236 P C -0.466 176.829 177.300 -0.009 0.000 1.177 236 P CA 0.744 63.845 63.100 0.001 0.000 0.773 236 P CB 0.893 32.593 31.700 -0.001 0.000 0.878 237 E N -0.466 119.725 120.200 -0.015 0.000 2.412 237 E HA 0.511 4.861 4.350 -0.000 0.000 0.279 237 E C -3.315 173.257 176.600 -0.046 0.000 0.984 237 E CA -2.702 53.676 56.400 -0.037 0.000 0.788 237 E CB 1.221 30.892 29.700 -0.048 0.000 1.277 237 E HN -0.245 nan 8.360 nan 0.000 0.455 238 P HA 0.063 nan 4.420 nan 0.000 0.269 238 P C -0.852 176.420 177.300 -0.047 0.000 1.215 238 P CA -0.272 62.781 63.100 -0.079 0.000 0.780 238 P CB 0.597 32.233 31.700 -0.105 0.000 0.898 239 V N 2.933 122.742 119.914 -0.175 0.000 2.555 239 V HA 0.356 4.475 4.120 -0.000 0.000 0.302 239 V C 0.522 176.516 176.094 -0.166 0.000 1.038 239 V CA -0.859 61.340 62.300 -0.169 0.000 0.887 239 V CB 1.588 33.203 31.823 -0.346 0.000 0.991 239 V HN 0.451 nan 8.190 nan 0.000 0.434 240 R N 4.651 125.085 120.500 -0.110 0.000 2.449 240 R HA 0.277 4.617 4.340 -0.000 0.000 0.296 240 R C -0.128 175.993 176.300 -0.299 0.000 1.047 240 R CA -0.032 55.782 56.100 -0.477 0.000 1.018 240 R CB 0.293 30.364 30.300 -0.382 0.000 0.962 240 R HN 0.668 nan 8.270 nan 0.000 0.428 241 M N 4.087 123.505 119.600 -0.303 0.000 2.255 241 M HA 0.322 4.802 4.480 -0.000 0.000 0.336 241 M C 0.303 176.551 176.300 -0.087 0.000 1.135 241 M CA 0.151 55.374 55.300 -0.130 0.000 1.145 241 M CB 1.392 33.913 32.600 -0.133 0.000 1.473 241 M HN 0.529 nan 8.290 nan 0.000 0.462 242 R N 0.055 120.544 120.500 -0.019 0.000 2.912 242 R HA 0.403 4.743 4.340 -0.000 0.000 0.262 242 R C -1.310 175.006 176.300 0.028 0.000 1.057 242 R CA -1.124 54.972 56.100 -0.006 0.000 0.981 242 R CB 1.121 31.417 30.300 -0.007 0.000 1.201 242 R HN 0.535 nan 8.270 nan 0.000 0.484 243 D N 0.106 120.520 120.400 0.023 0.000 2.424 243 D HA 0.220 4.860 4.640 -0.000 0.000 0.244 243 D C 1.180 177.497 176.300 0.028 0.000 1.134 243 D CA 1.534 55.553 54.000 0.032 0.000 0.881 243 D CB 0.998 41.806 40.800 0.012 0.000 1.191 243 D HN 0.764 nan 8.370 nan 0.000 0.445 244 G N 1.497 110.314 108.800 0.029 0.000 2.194 244 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 244 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 244 G C 0.604 175.517 174.900 0.021 0.000 0.987 244 G CA 0.165 45.269 45.100 0.006 0.000 0.635 244 G HN 0.663 nan 8.290 nan 0.000 0.520 245 I N -0.814 119.792 120.570 0.061 0.000 2.823 245 I HA 0.769 4.939 4.170 -0.000 0.000 0.290 245 I C 0.105 176.270 176.117 0.080 0.000 1.091 245 I CA -0.619 60.724 61.300 0.071 0.000 1.365 245 I CB 1.200 39.256 38.000 0.093 0.000 1.427 245 I HN 0.169 nan 8.210 nan 0.000 0.583 246 E N 4.028 124.265 120.200 0.062 0.000 2.171 246 E HA 0.595 4.945 4.350 -0.000 0.000 0.271 246 E C -1.740 174.904 176.600 0.073 0.000 0.916 246 E CA -0.834 55.602 56.400 0.061 0.000 0.774 246 E CB 1.950 31.691 29.700 0.069 0.000 1.128 246 E HN 0.591 nan 8.360 nan 0.000 0.403 247 V N 6.131 126.119 119.914 0.124 0.000 2.443 247 V HA 0.356 4.476 4.120 -0.000 0.000 0.293 247 V C -2.333 173.891 176.094 0.217 0.000 1.021 247 V CA -1.998 60.372 62.300 0.117 0.000 0.848 247 V CB 1.415 33.313 31.823 0.126 0.000 0.998 247 V HN 0.763 nan 8.190 nan 0.000 0.424 248 P HA 0.180 nan 4.420 nan 0.000 0.265 248 P C -0.204 177.194 177.300 0.164 0.000 1.193 248 P CA 0.055 63.234 63.100 0.133 0.000 0.765 248 P CB 0.604 32.350 31.700 0.077 0.000 0.823 249 L N 5.384 126.610 121.223 0.005 0.000 2.453 249 L HA 0.313 4.652 4.340 -0.000 0.000 0.261 249 L C -1.571 175.199 176.870 -0.167 0.000 1.179 249 L CA -1.890 52.799 54.840 -0.251 0.000 0.813 249 L CB 0.011 41.916 42.059 -0.257 0.000 1.110 249 L HN 0.302 nan 8.230 nan 0.000 0.466 250 P HA 0.002 nan 4.420 nan 0.000 0.268 250 P C -1.064 176.187 177.300 -0.082 0.000 1.208 250 P CA -0.403 62.577 63.100 -0.200 0.000 0.777 250 P CB 0.265 31.711 31.700 -0.423 0.000 0.875 251 E N 0.917 121.098 120.200 -0.032 0.000 2.708 251 E HA 0.210 4.560 4.350 -0.000 0.000 0.260 251 E C 1.519 178.153 176.600 0.058 0.000 0.937 251 E CA 1.379 57.784 56.400 0.008 0.000 0.953 251 E CB -0.955 28.746 29.700 0.003 0.000 0.915 251 E HN 0.792 nan 8.360 nan 0.000 0.487 252 G N 2.427 111.254 108.800 0.045 0.000 2.162 252 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 252 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 252 G C 0.514 175.427 174.900 0.020 0.000 0.976 252 G CA 0.438 45.560 45.100 0.036 0.000 0.655 252 G HN 0.753 nan 8.290 nan 0.000 0.533 253 H N -0.321 118.689 119.070 -0.099 0.000 2.874 253 H HA 0.413 4.969 4.556 -0.000 0.000 0.264 253 H C 1.489 176.751 175.328 -0.109 0.000 1.007 253 H CA 1.083 57.049 56.048 -0.137 0.000 1.207 253 H CB 1.339 30.967 29.762 -0.223 0.000 1.487 253 H HN 1.224 nan 8.280 nan 0.000 0.505 254 G N -0.052 108.757 108.800 0.015 0.000 2.298 254 G HA2 0.023 3.983 3.960 -0.000 0.000 0.309 254 G HA3 0.023 3.983 3.960 -0.000 0.000 0.309 254 G C 0.236 175.122 174.900 -0.024 0.000 1.279 254 G CA -0.149 44.944 45.100 -0.012 0.000 1.042 254 G HN 0.260 nan 8.290 nan 0.000 0.480 255 A N -0.656 122.142 122.820 -0.036 0.000 1.878 255 A HA 0.930 5.250 4.320 -0.000 0.000 0.215 255 A C 1.344 178.947 177.584 0.032 0.000 1.310 255 A CA 2.754 54.769 52.037 -0.038 0.000 0.612 255 A CB -0.524 18.394 19.000 -0.137 0.000 0.989 255 A HN 2.727 nan 8.150 nan 0.000 0.472 256 A N -2.594 120.300 122.820 0.123 0.000 2.586 256 A HA 0.580 4.899 4.320 -0.000 0.000 0.290 256 A C -1.591 176.138 177.584 0.243 0.000 1.086 256 A CA -0.216 51.942 52.037 0.201 0.000 0.665 256 A CB 0.616 19.771 19.000 0.258 0.000 1.279 256 A HN 0.777 nan 8.150 nan 0.000 0.423 257 V N 0.564 120.514 119.914 0.061 0.000 2.588 257 V HA 0.653 4.772 4.120 -0.000 0.000 0.304 257 V C -0.124 175.755 176.094 -0.358 0.000 1.042 257 V CA -0.581 61.569 62.300 -0.250 0.000 0.877 257 V CB 1.690 33.180 31.823 -0.555 0.000 0.996 257 V HN 0.903 nan 8.190 nan 0.000 0.425 258 R N 3.275 123.498 120.500 -0.461 0.000 2.198 258 R HA 0.524 4.864 4.340 -0.000 0.000 0.339 258 R C -1.270 174.811 176.300 -0.365 0.000 1.020 258 R CA -0.138 55.755 56.100 -0.344 0.000 0.864 258 R CB 0.254 30.327 30.300 -0.378 0.000 1.105 258 R HN 0.481 nan 8.270 nan 0.000 0.463 259 F N 2.503 122.388 119.950 -0.109 0.000 2.385 259 F HA 0.523 5.050 4.527 -0.000 0.000 0.336 259 F C 0.576 176.350 175.800 -0.042 0.000 1.100 259 F CA -0.405 57.538 58.000 -0.095 0.000 1.116 259 F CB 2.045 40.995 39.000 -0.084 0.000 1.166 259 F HN 0.600 nan 8.300 nan 0.000 0.511 260 A N 5.152 128.086 122.820 0.191 0.000 2.763 260 A HA 0.510 4.830 4.320 -0.000 0.000 0.325 260 A C -2.178 175.487 177.584 0.136 0.000 1.209 260 A CA -1.347 50.756 52.037 0.110 0.000 0.764 260 A CB 0.415 19.424 19.000 0.016 0.000 1.120 260 A HN 0.504 nan 8.150 nan 0.000 0.463 261 P HA -0.187 nan 4.420 nan 0.000 0.219 261 P C 1.620 178.879 177.300 -0.068 0.000 1.146 261 P CA 1.968 65.096 63.100 0.047 0.000 0.808 261 P CB 0.287 31.993 31.700 0.010 0.000 0.779 262 S N -1.250 114.444 115.700 -0.011 0.000 2.607 262 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 262 S C 1.953 176.500 174.600 -0.088 0.000 0.969 262 S CA -0.020 58.195 58.200 0.025 0.000 0.927 262 S CB -0.747 62.494 63.200 0.067 0.000 0.772 262 S HN 0.014 nan 8.310 nan 0.000 0.533 263 R N 0.641 121.067 120.500 -0.123 0.000 2.105 263 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 263 R C 2.080 178.249 176.300 -0.219 0.000 1.135 263 R CA 1.491 57.512 56.100 -0.132 0.000 0.967 263 R CB -0.612 29.636 30.300 -0.087 0.000 0.861 263 R HN 0.415 nan 8.270 nan 0.000 0.442 264 V N 0.374 120.016 119.914 -0.453 0.000 2.913 264 V HA -0.134 3.985 4.120 -0.000 0.000 0.260 264 V C 0.730 176.455 176.094 -0.615 0.000 1.098 264 V CA 1.418 63.367 62.300 -0.584 0.000 1.121 264 V CB -0.265 31.012 31.823 -0.911 0.000 0.714 264 V HN 0.264 nan 8.190 nan 0.000 0.487 265 F N 0.106 119.939 119.950 -0.195 0.000 2.695 265 F HA 0.405 4.932 4.527 -0.000 0.000 0.303 265 F C 0.905 176.653 175.800 -0.086 0.000 1.091 265 F CA -0.556 57.345 58.000 -0.165 0.000 1.300 265 F CB 0.023 38.905 39.000 -0.197 0.000 1.071 265 F HN 0.185 nan 8.300 nan 0.000 0.578 266 E N 1.916 122.142 120.200 0.042 0.000 2.081 266 E HA 0.296 4.646 4.350 -0.000 0.000 0.276 266 E C -2.122 174.495 176.600 0.029 0.000 0.950 266 E CA -2.562 53.857 56.400 0.032 0.000 0.776 266 E CB 1.240 30.939 29.700 -0.001 0.000 1.094 266 E HN -0.093 nan 8.360 nan 0.000 0.402 267 P HA -0.012 nan 4.420 nan 0.000 0.222 267 P C 0.860 178.184 177.300 0.039 0.000 1.147 267 P CA 1.106 64.235 63.100 0.049 0.000 0.790 267 P CB 0.379 32.107 31.700 0.047 0.000 0.780 268 G N -0.718 108.097 108.800 0.026 0.000 2.920 268 G HA2 0.180 4.140 3.960 -0.000 0.000 0.208 268 G HA3 0.180 4.140 3.960 -0.000 0.000 0.208 268 G C 0.496 175.405 174.900 0.015 0.000 1.159 268 G CA 0.132 45.248 45.100 0.027 0.000 0.784 268 G HN 0.393 nan 8.290 nan 0.000 0.535 269 A N 0.882 123.692 122.820 -0.016 0.000 2.451 269 A HA 0.522 4.842 4.320 -0.000 0.000 0.266 269 A C 0.162 177.708 177.584 -0.063 0.000 1.119 269 A CA -0.793 51.187 52.037 -0.096 0.000 0.786 269 A CB -0.397 18.529 19.000 -0.123 0.000 1.061 269 A HN 0.530 nan 8.150 nan 0.000 0.503 270 Y N 2.435 122.739 120.300 0.008 0.000 2.578 270 Y HA 0.453 5.003 4.550 -0.000 0.000 0.339 270 Y C -2.140 173.795 175.900 0.060 0.000 1.231 270 Y CA -3.000 55.116 58.100 0.027 0.000 1.461 270 Y CB -0.492 37.991 38.460 0.039 0.000 1.323 270 Y HN 0.489 nan 8.280 nan 0.000 0.590 271 P HA 0.014 nan 4.420 nan 0.000 0.270 271 P C -0.657 176.831 177.300 0.315 0.000 1.242 271 P CA -0.076 63.101 63.100 0.129 0.000 0.768 271 P CB 1.173 32.698 31.700 -0.292 0.000 0.820 272 S N 2.659 118.580 115.700 0.367 0.000 2.410 272 S HA 0.398 4.868 4.470 -0.000 0.000 0.304 272 S C 1.707 176.540 174.600 0.388 0.000 1.095 272 S CA -0.240 58.182 58.200 0.370 0.000 1.089 272 S CB 0.059 63.416 63.200 0.262 0.000 0.968 272 S HN 0.487 nan 8.310 nan 0.000 0.480 273 G N 3.505 112.493 108.800 0.312 0.000 2.471 273 G HA2 0.016 3.976 3.960 -0.000 0.000 0.219 273 G HA3 0.016 3.976 3.960 -0.000 0.000 0.219 273 G C 1.067 176.122 174.900 0.259 0.000 1.125 273 G CA 0.511 45.778 45.100 0.279 0.000 0.775 273 G HN 0.864 nan 8.290 nan 0.000 0.548 274 G N -0.822 108.141 108.800 0.273 0.000 2.887 274 G HA2 0.408 4.368 3.960 -0.000 0.000 0.211 274 G HA3 0.408 4.368 3.960 -0.000 0.000 0.211 274 G C 0.940 176.038 174.900 0.329 0.000 1.152 274 G CA 1.112 46.403 45.100 0.318 0.000 0.769 274 G HN 0.714 nan 8.290 nan 0.000 0.541 275 A N -0.809 122.178 122.820 0.279 0.000 2.736 275 A HA 0.517 4.837 4.320 -0.000 0.000 0.222 275 A C 1.742 179.448 177.584 0.204 0.000 1.267 275 A CA 0.961 53.147 52.037 0.248 0.000 1.026 275 A CB 0.010 19.134 19.000 0.206 0.000 1.281 275 A HN 0.355 nan 8.150 nan 0.000 0.577 276 G N -0.312 108.593 108.800 0.173 0.000 2.986 276 G HA2 0.358 4.318 3.960 -0.000 0.000 0.213 276 G HA3 0.358 4.318 3.960 -0.000 0.000 0.213 276 G C 0.575 175.434 174.900 -0.068 0.000 1.156 276 G CA 0.054 45.232 45.100 0.131 0.000 0.763 276 G HN 0.373 nan 8.290 nan 0.000 0.547 277 M N 0.242 119.701 119.600 -0.236 0.000 2.368 277 M HA 0.484 4.964 4.480 -0.000 0.000 0.311 277 M C -0.347 175.904 176.300 -0.082 0.000 1.168 277 M CA -1.065 53.960 55.300 -0.458 0.000 1.044 277 M CB 1.535 33.778 32.600 -0.595 0.000 1.506 277 M HN 0.265 nan 8.290 nan 0.000 0.475 278 Y N -1.051 119.186 120.300 -0.105 0.000 2.587 278 Y HA 0.973 5.523 4.550 -0.000 0.000 0.337 278 Y C -0.317 175.568 175.900 -0.026 0.000 1.065 278 Y CA -0.955 57.167 58.100 0.037 0.000 1.126 278 Y CB 1.432 40.029 38.460 0.227 0.000 1.279 278 Y HN 0.726 nan 8.280 nan 0.000 0.489 279 G N 0.153 109.022 108.800 0.115 0.000 2.441 279 G HA2 0.457 4.416 3.960 -0.000 0.000 0.294 279 G HA3 0.457 4.416 3.960 -0.000 0.000 0.294 279 G C -1.632 173.297 174.900 0.048 0.000 1.393 279 G CA -0.638 44.456 45.100 -0.011 0.000 0.796 279 G HN 1.095 nan 8.290 nan 0.000 0.494 280 S N -0.662 115.040 115.700 0.004 0.000 2.693 280 S HA 0.662 5.132 4.470 -0.000 0.000 0.276 280 S C 1.724 176.314 174.600 -0.016 0.000 1.192 280 S CA 0.614 58.830 58.200 0.028 0.000 0.994 280 S CB 1.597 64.791 63.200 -0.009 0.000 1.012 280 S HN 1.963 nan 8.310 nan 0.000 0.550 281 A N 0.901 123.718 122.820 -0.005 0.000 1.908 281 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 281 A C 1.729 179.263 177.584 -0.083 0.000 1.181 281 A CA 1.884 53.872 52.037 -0.081 0.000 0.627 281 A CB -1.232 17.728 19.000 -0.066 0.000 0.818 281 A HN 0.866 nan 8.150 nan 0.000 0.445 282 D N 0.083 120.446 120.400 -0.062 0.000 2.117 282 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 282 D C 1.345 177.593 176.300 -0.087 0.000 0.987 282 D CA 1.427 55.385 54.000 -0.070 0.000 0.829 282 D CB -0.376 40.391 40.800 -0.056 0.000 0.961 282 D HN 0.381 nan 8.370 nan 0.000 0.460 283 D N -0.335 120.013 120.400 -0.086 0.000 2.144 283 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 283 D C 2.230 178.447 176.300 -0.137 0.000 0.978 283 D CA 0.272 54.209 54.000 -0.105 0.000 0.833 283 D CB -0.132 40.608 40.800 -0.099 0.000 0.961 283 D HN 0.045 nan 8.370 nan 0.000 0.470 284 V N 0.925 120.751 119.914 -0.147 0.000 2.343 284 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 284 V C 2.425 178.391 176.094 -0.213 0.000 1.051 284 V CA 0.982 63.165 62.300 -0.196 0.000 1.036 284 V CB -0.385 31.313 31.823 -0.209 0.000 0.654 284 V HN 0.160 nan 8.190 nan 0.000 0.451 285 L N 0.267 121.390 121.223 -0.166 0.000 2.083 285 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 285 L C 2.586 179.362 176.870 -0.156 0.000 1.083 285 L CA 1.868 56.617 54.840 -0.152 0.000 0.752 285 L CB -0.592 41.402 42.059 -0.108 0.000 0.899 285 L HN 0.196 nan 8.230 nan 0.000 0.433 286 R N -0.587 119.824 120.500 -0.149 0.000 2.105 286 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 286 R C 2.248 178.423 176.300 -0.207 0.000 1.135 286 R CA 1.306 57.311 56.100 -0.158 0.000 0.967 286 R CB -0.680 29.534 30.300 -0.143 0.000 0.861 286 R HN 0.531 nan 8.270 nan 0.000 0.442 287 A N 1.231 123.916 122.820 -0.224 0.000 1.898 287 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 287 A C 2.181 179.609 177.584 -0.260 0.000 1.181 287 A CA 0.975 52.859 52.037 -0.255 0.000 0.620 287 A CB -0.452 18.407 19.000 -0.235 0.000 0.819 287 A HN 0.155 nan 8.150 nan 0.000 0.442 288 L N -0.608 120.442 121.223 -0.288 0.000 2.083 288 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 288 L C 2.564 179.338 176.870 -0.161 0.000 1.083 288 L CA 1.194 55.861 54.840 -0.288 0.000 0.752 288 L CB -0.569 41.299 42.059 -0.319 0.000 0.899 288 L HN 0.368 nan 8.230 nan 0.000 0.433 289 E N 0.256 120.368 120.200 -0.147 0.000 2.152 289 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 289 E C 2.285 178.825 176.600 -0.101 0.000 0.983 289 E CA 1.194 57.533 56.400 -0.102 0.000 0.818 289 E CB -0.011 29.632 29.700 -0.096 0.000 0.758 289 E HN 0.444 nan 8.360 nan 0.000 0.467 290 A N 1.126 123.848 122.820 -0.164 0.000 1.898 290 A HA -0.126 4.193 4.320 -0.000 0.000 0.216 290 A C 2.281 179.818 177.584 -0.078 0.000 1.181 290 A CA 0.904 52.826 52.037 -0.191 0.000 0.620 290 A CB -0.552 18.176 19.000 -0.453 0.000 0.819 290 A HN 0.148 nan 8.150 nan 0.000 0.442 291 I N -1.094 119.432 120.570 -0.073 0.000 2.179 291 I HA -0.246 3.923 4.170 -0.000 0.000 0.242 291 I C 2.734 178.870 176.117 0.032 0.000 1.088 291 I CA 1.656 62.962 61.300 0.010 0.000 1.357 291 I CB -0.286 37.711 38.000 -0.005 0.000 1.051 291 I HN 0.352 nan 8.210 nan 0.000 0.409 292 R N 0.914 121.419 120.500 0.009 0.000 2.073 292 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 292 R C 1.982 178.301 176.300 0.031 0.000 1.134 292 R CA 1.844 57.960 56.100 0.027 0.000 0.952 292 R CB -0.130 30.174 30.300 0.005 0.000 0.850 292 R HN 0.375 nan 8.270 nan 0.000 0.433 293 A N -0.024 122.809 122.820 0.021 0.000 2.343 293 A HA 0.063 4.383 4.320 -0.000 0.000 0.223 293 A C 0.244 177.857 177.584 0.047 0.000 1.214 293 A CA 0.076 52.134 52.037 0.036 0.000 0.900 293 A CB 0.101 19.119 19.000 0.030 0.000 0.942 293 A HN 0.553 nan 8.150 nan 0.000 0.507 294 N N 0.713 119.445 118.700 0.054 0.000 2.684 294 N HA -0.114 4.625 4.740 -0.000 0.000 0.284 294 N C -2.514 173.051 175.510 0.091 0.000 1.067 294 N CA 0.792 53.899 53.050 0.095 0.000 0.791 294 N CB -0.461 38.090 38.487 0.106 0.000 0.934 294 N HN 0.295 nan 8.380 nan 0.000 0.566 295 P HA 0.281 nan 4.420 nan 0.000 0.238 295 P C 0.843 178.206 177.300 0.105 0.000 1.794 295 P CA 0.516 63.659 63.100 0.072 0.000 1.088 295 P CB 0.131 31.858 31.700 0.045 0.000 1.923 296 G N 2.020 110.880 108.800 0.100 0.000 2.187 296 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 296 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 296 G C 0.402 175.383 174.900 0.135 0.000 1.000 296 G CA 0.189 45.345 45.100 0.093 0.000 0.718 296 G HN 0.441 nan 8.290 nan 0.000 0.519 297 F N -0.033 119.925 119.950 0.012 0.000 2.335 297 F HA 0.513 5.040 4.527 -0.000 0.000 0.296 297 F C 1.140 176.949 175.800 0.016 0.000 1.091 297 F CA 0.792 58.799 58.000 0.011 0.000 1.399 297 F CB 0.198 39.202 39.000 0.007 0.000 1.067 297 F HN 0.147 nan 8.300 nan 0.000 0.520 298 L N 0.035 121.268 121.223 0.018 0.000 2.376 298 L HA 0.420 4.760 4.340 -0.000 0.000 0.258 298 L C -2.417 174.456 176.870 0.006 0.000 1.013 298 L CA -2.391 52.416 54.840 -0.055 0.000 0.822 298 L CB 1.832 43.897 42.059 0.011 0.000 1.388 298 L HN -0.301 nan 8.230 nan 0.000 0.413 299 P HA 0.078 nan 4.420 nan 0.000 0.268 299 P C -0.161 177.160 177.300 0.034 0.000 1.204 299 P CA -0.084 63.025 63.100 0.014 0.000 0.768 299 P CB 0.694 32.399 31.700 0.009 0.000 0.842 300 E N 0.975 121.196 120.200 0.035 0.000 2.097 300 E HA -0.227 4.122 4.350 -0.000 0.000 0.196 300 E C 1.809 178.434 176.600 0.041 0.000 1.000 300 E CA 2.462 58.887 56.400 0.040 0.000 0.804 300 E CB -0.964 28.756 29.700 0.034 0.000 0.740 300 E HN 0.642 nan 8.360 nan 0.000 0.454 301 T N -0.514 114.062 114.554 0.037 0.000 2.788 301 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 301 T C 1.861 176.594 174.700 0.054 0.000 1.044 301 T CA 0.973 63.097 62.100 0.040 0.000 1.139 301 T CB -0.310 68.580 68.868 0.037 0.000 0.867 301 T HN 0.068 nan 8.240 nan 0.000 0.454 302 L N 1.652 122.914 121.223 0.066 0.000 2.056 302 L HA 0.329 4.669 4.340 -0.000 0.000 0.207 302 L C 2.867 179.800 176.870 0.106 0.000 1.078 302 L CA 1.600 56.500 54.840 0.101 0.000 0.749 302 L CB -1.189 40.922 42.059 0.087 0.000 0.901 302 L HN 0.350 nan 8.230 nan 0.000 0.433 303 A N -0.754 122.116 122.820 0.084 0.000 1.902 303 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 303 A C 1.974 179.594 177.584 0.061 0.000 1.181 303 A CA 1.907 53.996 52.037 0.088 0.000 0.623 303 A CB -0.806 18.246 19.000 0.087 0.000 0.818 303 A HN 0.500 nan 8.150 nan 0.000 0.443 304 D N 0.128 120.554 120.400 0.043 0.000 2.097 304 D HA -0.051 4.589 4.640 -0.000 0.000 0.195 304 D C 2.259 178.550 176.300 -0.016 0.000 0.989 304 D CA 1.588 55.600 54.000 0.020 0.000 0.827 304 D CB -0.535 40.277 40.800 0.021 0.000 0.966 304 D HN 0.411 nan 8.370 nan 0.000 0.456 305 A N 1.052 123.859 122.820 -0.021 0.000 1.908 305 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 305 A C 2.302 179.700 177.584 -0.310 0.000 1.181 305 A CA 2.424 54.391 52.037 -0.117 0.000 0.627 305 A CB -0.821 18.162 19.000 -0.028 0.000 0.818 305 A HN 0.245 nan 8.150 nan 0.000 0.445 306 A N -0.606 122.128 122.820 -0.142 0.000 2.019 306 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 306 A C 2.123 179.663 177.584 -0.073 0.000 1.164 306 A CA 1.411 53.393 52.037 -0.091 0.000 0.644 306 A CB -0.314 18.799 19.000 0.188 0.000 0.805 306 A HN 0.561 nan 8.150 nan 0.000 0.449 307 R N -1.277 119.198 120.500 -0.041 0.000 2.362 307 R HA 0.158 4.497 4.340 -0.000 0.000 0.227 307 R C 0.794 177.074 176.300 -0.035 0.000 0.905 307 R CA -0.182 55.914 56.100 -0.007 0.000 1.067 307 R CB 0.186 30.507 30.300 0.036 0.000 1.078 307 R HN 0.437 nan 8.270 nan 0.000 0.516 308 R N 1.562 122.014 120.500 -0.080 0.000 2.404 308 R HA 0.042 4.382 4.340 -0.000 0.000 0.291 308 R C -0.742 175.515 176.300 -0.072 0.000 1.025 308 R CA -0.539 55.519 56.100 -0.069 0.000 0.991 308 R CB 0.837 31.093 30.300 -0.072 0.000 1.053 308 R HN -0.204 nan 8.270 nan 0.000 0.479 309 D N 2.597 122.975 120.400 -0.037 0.000 2.412 309 D HA -0.036 4.604 4.640 -0.000 0.000 0.257 309 D C 0.016 176.327 176.300 0.019 0.000 1.217 309 D CA 0.410 54.405 54.000 -0.008 0.000 0.897 309 D CB 1.119 41.913 40.800 -0.010 0.000 1.132 309 D HN 0.474 nan 8.370 nan 0.000 0.493 310 Q N 2.707 122.543 119.800 0.061 0.000 2.319 310 Q HA 0.184 4.524 4.340 -0.000 0.000 0.209 310 Q C 0.770 176.885 176.000 0.192 0.000 0.884 310 Q CA 0.206 56.086 55.803 0.128 0.000 0.938 310 Q CB 1.057 29.881 28.738 0.144 0.000 1.098 310 Q HN 0.590 nan 8.270 nan 0.000 0.517 311 A N 0.114 123.031 122.820 0.162 0.000 2.127 311 A HA 0.530 4.849 4.320 -0.000 0.000 0.204 311 A C 0.852 178.487 177.584 0.086 0.000 1.243 311 A CA 0.700 52.837 52.037 0.166 0.000 0.887 311 A CB 0.500 19.596 19.000 0.161 0.000 0.933 311 A HN 0.278 nan 8.150 nan 0.000 0.479 312 G N -1.034 107.791 108.800 0.042 0.000 2.712 312 G HA2 0.086 4.046 3.960 -0.000 0.000 0.686 312 G HA3 0.086 4.046 3.960 -0.000 0.000 0.686 312 G C 0.648 175.537 174.900 -0.018 0.000 1.181 312 G CA -0.012 45.096 45.100 0.014 0.000 0.762 312 G HN 1.506 nan 8.290 nan 0.000 0.641 313 V N 0.260 120.157 119.914 -0.027 0.000 2.688 313 V HA 0.088 4.208 4.120 -0.000 0.000 0.256 313 V C 2.614 178.690 176.094 -0.029 0.000 1.084 313 V CA 2.756 65.033 62.300 -0.038 0.000 1.103 313 V CB -0.930 30.863 31.823 -0.051 0.000 0.688 313 V HN 2.186 nan 8.190 nan 0.000 0.480 314 G N -0.181 108.607 108.800 -0.020 0.000 2.471 314 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.219 314 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.219 314 G C 1.634 176.529 174.900 -0.008 0.000 1.125 314 G CA 0.830 45.924 45.100 -0.010 0.000 0.775 314 G HN 0.932 nan 8.290 nan 0.000 0.548 315 A N 0.550 123.348 122.820 -0.038 0.000 2.067 315 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 315 A C 1.179 178.694 177.584 -0.115 0.000 1.158 315 A CA 1.068 53.061 52.037 -0.073 0.000 0.661 315 A CB -0.302 18.515 19.000 -0.304 0.000 0.801 315 A HN 0.500 nan 8.150 nan 0.000 0.452 316 E N -0.309 119.845 120.200 -0.077 0.000 2.149 316 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 316 E C 0.840 177.394 176.600 -0.077 0.000 1.384 316 E CA 0.471 56.863 56.400 -0.014 0.000 0.698 316 E CB -2.000 27.710 29.700 0.018 0.000 1.086 316 E HN 0.888 nan 8.360 nan 0.000 0.338 317 T N -2.540 111.892 114.554 -0.205 0.000 3.023 317 T HA -0.076 4.273 4.350 -0.000 0.000 0.266 317 T C 1.280 175.905 174.700 -0.125 0.000 1.093 317 T CA 0.550 62.431 62.100 -0.364 0.000 1.129 317 T CB 0.176 68.637 68.868 -0.679 0.000 0.899 317 T HN 0.264 nan 8.240 nan 0.000 0.491 318 R N 0.987 121.339 120.500 -0.247 0.000 2.700 318 R HA 0.507 4.847 4.340 -0.000 0.000 0.399 318 R C 0.789 176.917 176.300 -0.286 0.000 1.115 318 R CA 0.036 55.819 56.100 -0.527 0.000 1.058 318 R CB 0.771 30.282 30.300 -1.316 0.000 1.389 318 R HN 0.539 nan 8.270 nan 0.000 0.582 319 G N 1.867 110.613 108.800 -0.089 0.000 2.685 319 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.387 319 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.387 319 G C -2.833 172.152 174.900 0.143 0.000 1.324 319 G CA -1.295 43.820 45.100 0.025 0.000 0.878 319 G HN -0.022 nan 8.290 nan 0.000 0.527 320 P HA 0.382 nan 4.420 nan 0.000 0.266 320 P C 1.019 178.382 177.300 0.104 0.000 1.195 320 P CA 2.211 65.359 63.100 0.079 0.000 0.768 320 P CB 0.723 32.441 31.700 0.030 0.000 0.838 321 G N 0.177 108.980 108.800 0.005 0.000 2.179 321 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 321 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 321 G C -0.821 173.902 174.900 -0.294 0.000 0.990 321 G CA -0.740 44.257 45.100 -0.172 0.000 0.646 321 G HN 0.396 nan 8.290 nan 0.000 0.517 322 W N 0.766 122.003 121.300 -0.104 0.000 2.538 322 W HA 0.675 5.335 4.660 -0.000 0.000 0.322 322 W C 0.721 177.147 176.519 -0.155 0.000 1.028 322 W CA -0.034 57.240 57.345 -0.117 0.000 1.228 322 W CB 1.744 31.138 29.460 -0.109 0.000 1.356 322 W HN 0.388 nan 8.180 nan 0.000 0.452 323 G N 1.097 109.940 108.800 0.072 0.000 2.945 323 G HA2 0.697 4.657 3.960 -0.000 0.000 0.156 323 G HA3 0.697 4.657 3.960 -0.000 0.000 0.156 323 G C -1.913 173.005 174.900 0.030 0.000 1.375 323 G CA -0.459 44.628 45.100 -0.022 0.000 1.039 323 G HN 0.311 nan 8.290 nan 0.000 0.586 324 F N -1.408 118.461 119.950 -0.135 0.000 2.650 324 F HA 0.564 5.090 4.527 -0.000 0.000 0.310 324 F C 0.437 176.250 175.800 0.020 0.000 1.112 324 F CA -0.113 57.842 58.000 -0.075 0.000 0.986 324 F CB 1.684 40.610 39.000 -0.123 0.000 1.285 324 F HN 0.757 nan 8.300 nan 0.000 0.440 325 G N 1.933 110.698 108.800 -0.058 0.000 3.392 325 G HA2 0.142 4.102 3.960 -0.000 0.000 0.188 325 G HA3 0.142 4.102 3.960 -0.000 0.000 0.188 325 G C -0.551 174.505 174.900 0.262 0.000 1.485 325 G CA 0.068 45.175 45.100 0.011 0.000 0.943 325 G HN 0.500 nan 8.290 nan 0.000 0.627 326 Y N -0.049 120.312 120.300 0.102 0.000 2.467 326 Y HA 0.469 5.019 4.550 -0.000 0.000 0.250 326 Y C 1.619 177.601 175.900 0.138 0.000 1.155 326 Y CA -0.217 57.963 58.100 0.132 0.000 1.249 326 Y CB 0.213 38.725 38.460 0.087 0.000 1.146 326 Y HN 0.094 nan 8.280 nan 0.000 0.524 327 L N -1.840 119.499 121.223 0.194 0.000 3.154 327 L HA 0.268 4.608 4.340 -0.000 0.000 0.280 327 L C 0.368 177.268 176.870 0.051 0.000 1.134 327 L CA 0.289 55.233 54.840 0.174 0.000 1.037 327 L CB 0.604 42.776 42.059 0.189 0.000 1.571 327 L HN 0.008 nan 8.230 nan 0.000 0.576 328 S N -0.884 114.516 115.700 -0.500 0.000 2.663 328 S HA 0.666 5.136 4.470 -0.000 0.000 0.264 328 S C -0.878 172.778 174.600 -1.574 0.000 1.112 328 S CA -0.433 57.289 58.200 -0.797 0.000 0.823 328 S CB 0.905 64.055 63.200 -0.083 0.000 1.111 328 S HN 0.064 nan 8.310 nan 0.000 0.476 329 A N 0.177 122.498 122.820 -0.832 0.000 2.406 329 A HA 0.668 4.987 4.320 -0.000 0.000 0.243 329 A C -0.242 177.325 177.584 -0.029 0.000 1.082 329 A CA -0.371 51.476 52.037 -0.317 0.000 0.786 329 A CB 0.020 19.055 19.000 0.059 0.000 1.029 329 A HN 1.383 nan 8.150 nan 0.000 0.495 330 V N 2.573 122.568 119.914 0.136 0.000 2.531 330 V HA 0.268 4.388 4.120 -0.000 0.000 0.301 330 V C -0.487 175.628 176.094 0.035 0.000 1.034 330 V CA -0.592 61.772 62.300 0.106 0.000 0.865 330 V CB 1.419 33.235 31.823 -0.011 0.000 0.995 330 V HN 0.823 nan 8.190 nan 0.000 0.424 331 L N 4.198 125.278 121.223 -0.238 0.000 2.433 331 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 331 L C 0.843 177.446 176.870 -0.445 0.000 1.128 331 L CA 0.851 55.202 54.840 -0.815 0.000 0.875 331 L CB 0.503 41.933 42.059 -1.048 0.000 1.171 331 L HN 0.610 nan 8.230 nan 0.000 0.463 332 D N 1.965 122.123 120.400 -0.402 0.000 2.324 332 D HA 0.059 4.698 4.640 -0.000 0.000 0.212 332 D C -0.223 175.926 176.300 -0.251 0.000 0.984 332 D CA 0.763 54.616 54.000 -0.245 0.000 0.885 332 D CB 0.415 41.117 40.800 -0.164 0.000 0.996 332 D HN 0.571 nan 8.370 nan 0.000 0.505 333 D N -0.644 119.558 120.400 -0.329 0.000 2.364 333 D HA 0.178 4.818 4.640 -0.000 0.000 0.251 333 D C -2.111 174.001 176.300 -0.312 0.000 1.282 333 D CA -1.920 51.923 54.000 -0.263 0.000 0.927 333 D CB 1.832 42.518 40.800 -0.190 0.000 1.267 333 D HN -0.242 nan 8.370 nan 0.000 0.531 334 P HA -0.158 nan 4.420 nan 0.000 0.215 334 P C 1.223 178.387 177.300 -0.225 0.000 1.157 334 P CA 1.822 64.737 63.100 -0.308 0.000 0.874 334 P CB 0.328 31.858 31.700 -0.284 0.000 0.790 335 A N 0.145 122.856 122.820 -0.182 0.000 1.865 335 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 335 A C 2.379 179.893 177.584 -0.115 0.000 1.191 335 A CA 2.582 54.538 52.037 -0.135 0.000 0.623 335 A CB -1.738 17.194 19.000 -0.114 0.000 0.826 335 A HN 0.205 nan 8.150 nan 0.000 0.444 336 A N -0.653 122.095 122.820 -0.119 0.000 2.024 336 A HA 0.165 4.485 4.320 -0.000 0.000 0.220 336 A C 2.264 179.804 177.584 -0.072 0.000 1.164 336 A CA 2.049 54.032 52.037 -0.089 0.000 0.643 336 A CB -0.727 18.220 19.000 -0.089 0.000 0.806 336 A HN 1.188 nan 8.150 nan 0.000 0.451 337 A N -1.706 121.046 122.820 -0.113 0.000 2.218 337 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 337 A C 1.699 179.271 177.584 -0.020 0.000 1.168 337 A CA 1.061 53.074 52.037 -0.039 0.000 0.804 337 A CB -0.919 17.995 19.000 -0.143 0.000 0.834 337 A HN 1.870 nan 8.150 nan 0.000 0.482 338 G N -0.450 108.307 108.800 -0.072 0.000 2.273 338 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.280 338 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.280 338 G C 0.252 175.097 174.900 -0.091 0.000 1.047 338 G CA 0.856 45.914 45.100 -0.070 0.000 0.869 338 G HN 1.168 nan 8.290 nan 0.000 0.502 339 T N -0.800 113.669 114.554 -0.142 0.000 2.906 339 T HA 0.729 5.079 4.350 -0.000 0.000 0.295 339 T C -1.280 173.245 174.700 -0.291 0.000 1.061 339 T CA -0.948 61.032 62.100 -0.201 0.000 1.000 339 T CB 2.171 70.931 68.868 -0.179 0.000 1.103 339 T HN -0.061 nan 8.240 nan 0.000 0.486 340 P HA 0.103 nan 4.420 nan 0.000 0.245 340 P C 0.030 176.918 177.300 -0.686 0.000 1.212 340 P CA 0.168 62.970 63.100 -0.498 0.000 0.774 340 P CB 0.259 31.630 31.700 -0.549 0.000 0.999 341 Q N -0.029 119.365 119.800 -0.678 0.000 2.394 341 Q HA 0.118 4.458 4.340 -0.000 0.000 0.248 341 Q C -0.132 175.797 176.000 -0.119 0.000 0.992 341 Q CA -0.048 55.524 55.803 -0.385 0.000 0.888 341 Q CB 0.162 28.694 28.738 -0.342 0.000 1.257 341 Q HN 0.282 nan 8.270 nan 0.000 0.462 342 H N -0.077 118.945 119.070 -0.079 0.000 2.505 342 H HA 0.378 4.934 4.556 -0.000 0.000 0.351 342 H C -0.278 174.977 175.328 -0.121 0.000 1.151 342 H CA -0.206 55.800 56.048 -0.070 0.000 1.339 342 H CB 0.731 30.502 29.762 0.016 0.000 1.483 342 H HN 0.761 nan 8.280 nan 0.000 0.558 343 A N 1.061 123.857 122.820 -0.040 0.000 2.561 343 A HA 0.381 4.701 4.320 -0.000 0.000 0.234 343 A C 1.561 179.122 177.584 -0.040 0.000 1.055 343 A CA 0.832 52.808 52.037 -0.101 0.000 0.756 343 A CB -0.906 18.037 19.000 -0.095 0.000 0.986 343 A HN 1.165 nan 8.150 nan 0.000 0.505 344 G N 1.338 110.092 108.800 -0.078 0.000 2.194 344 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 344 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 344 G C 0.501 175.411 174.900 0.017 0.000 0.987 344 G CA 0.363 45.450 45.100 -0.021 0.000 0.635 344 G HN 1.239 nan 8.290 nan 0.000 0.520 345 T N 2.161 116.717 114.554 0.004 0.000 2.934 345 T HA 0.436 4.786 4.350 -0.000 0.000 0.306 345 T C 0.779 175.585 174.700 0.176 0.000 1.042 345 T CA 0.342 62.505 62.100 0.105 0.000 1.145 345 T CB 0.657 69.570 68.868 0.076 0.000 0.982 345 T HN 0.373 nan 8.240 nan 0.000 0.544 346 L N 3.865 125.233 121.223 0.242 0.000 2.289 346 L HA 0.608 4.948 4.340 -0.000 0.000 0.285 346 L C 0.183 177.111 176.870 0.097 0.000 1.049 346 L CA -0.514 54.459 54.840 0.222 0.000 0.804 346 L CB 1.099 43.349 42.059 0.317 0.000 1.195 346 L HN 0.634 nan 8.230 nan 0.000 0.428 347 Q N 3.193 122.896 119.800 -0.162 0.000 2.353 347 Q HA 0.434 4.774 4.340 -0.000 0.000 0.275 347 Q C -2.066 173.595 176.000 -0.566 0.000 1.029 347 Q CA -0.596 54.887 55.803 -0.534 0.000 0.848 347 Q CB 2.750 31.343 28.738 -0.241 0.000 1.390 347 Q HN 0.720 nan 8.270 nan 0.000 0.401 348 W N 1.745 122.287 121.300 -1.263 0.000 2.803 348 W HA 0.662 5.322 4.660 -0.000 0.000 0.424 348 W C -1.347 174.887 176.519 -0.475 0.000 1.092 348 W CA -0.096 56.867 57.345 -0.637 0.000 1.184 348 W CB 1.339 30.693 29.460 -0.177 0.000 1.470 348 W HN 0.856 nan 8.180 nan 0.000 0.598 349 G N -0.113 108.454 108.800 -0.389 0.000 2.731 349 G HA2 0.612 4.572 3.960 -0.000 0.000 0.309 349 G HA3 0.612 4.572 3.960 -0.000 0.000 0.309 349 G C -1.417 173.540 174.900 0.094 0.000 1.273 349 G CA 0.038 45.069 45.100 -0.115 0.000 0.798 349 G HN 0.855 nan 8.290 nan 0.000 0.509 350 G N -1.446 107.434 108.800 0.134 0.000 2.759 350 G HA2 0.605 4.565 3.960 -0.000 0.000 0.297 350 G HA3 0.605 4.565 3.960 -0.000 0.000 0.297 350 G C 0.646 175.612 174.900 0.111 0.000 1.434 350 G CA 0.487 45.715 45.100 0.214 0.000 0.980 350 G HN 1.580 nan 8.290 nan 0.000 0.531 351 V N -0.601 119.396 119.914 0.138 0.000 2.913 351 V HA -0.039 4.080 4.120 -0.000 0.000 0.260 351 V C 1.744 177.978 176.094 0.234 0.000 1.098 351 V CA 1.173 63.602 62.300 0.215 0.000 1.121 351 V CB -1.181 30.737 31.823 0.159 0.000 0.714 351 V HN 0.623 nan 8.190 nan 0.000 0.487 352 Y N 2.425 122.794 120.300 0.116 0.000 2.574 352 Y HA 0.386 4.936 4.550 -0.000 0.000 0.294 352 Y C 1.915 177.663 175.900 -0.254 0.000 1.142 352 Y CA 0.821 58.888 58.100 -0.055 0.000 1.314 352 Y CB -0.241 38.203 38.460 -0.027 0.000 0.991 352 Y HN 0.545 nan 8.280 nan 0.000 0.555 353 G N -0.139 108.548 108.800 -0.187 0.000 2.462 353 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.124 353 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.124 353 G C -0.744 174.131 174.900 -0.042 0.000 1.062 353 G CA -0.667 44.396 45.100 -0.061 0.000 0.764 353 G HN 0.523 nan 8.290 nan 0.000 0.485 354 H N -0.579 118.586 119.070 0.157 0.000 2.747 354 H HA 0.852 5.408 4.556 -0.000 0.000 0.371 354 H C -0.306 175.087 175.328 0.107 0.000 1.161 354 H CA -0.565 55.554 56.048 0.119 0.000 1.167 354 H CB 2.427 32.271 29.762 0.136 0.000 1.732 354 H HN 0.301 nan 8.280 nan 0.000 0.544 355 S N 2.110 117.968 115.700 0.263 0.000 2.533 355 S HA 0.467 4.937 4.470 -0.000 0.000 0.271 355 S C -2.007 172.753 174.600 0.267 0.000 1.143 355 S CA -0.795 57.502 58.200 0.162 0.000 0.891 355 S CB 0.963 64.223 63.200 0.101 0.000 1.105 355 S HN 0.706 nan 8.310 nan 0.000 0.468 356 W N 3.647 125.030 121.300 0.137 0.000 3.167 356 W HA 0.745 5.405 4.660 -0.000 0.000 0.324 356 W C -2.375 174.282 176.519 0.230 0.000 1.230 356 W CA -1.405 55.997 57.345 0.096 0.000 1.184 356 W CB 0.413 29.908 29.460 0.058 0.000 1.414 356 W HN 0.683 nan 8.180 nan 0.000 0.551 357 F N -0.185 119.978 119.950 0.355 0.000 2.631 357 F HA 0.755 5.282 4.527 -0.000 0.000 0.308 357 F C -1.896 174.139 175.800 0.391 0.000 1.097 357 F CA -1.714 56.426 58.000 0.234 0.000 0.952 357 F CB 1.222 40.294 39.000 0.120 0.000 1.307 357 F HN 0.092 nan 8.300 nan 0.000 0.450 358 V N 1.871 122.144 119.914 0.600 0.000 2.326 358 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 358 V C -0.995 175.329 176.094 0.384 0.000 1.015 358 V CA -0.432 62.104 62.300 0.394 0.000 0.823 358 V CB 1.093 33.117 31.823 0.336 0.000 1.009 358 V HN 0.794 nan 8.190 nan 0.000 0.436 359 D N 4.520 125.151 120.400 0.385 0.000 2.453 359 D HA 0.217 4.857 4.640 -0.000 0.000 0.223 359 D C 1.343 177.705 176.300 0.104 0.000 1.183 359 D CA -0.159 54.010 54.000 0.283 0.000 0.933 359 D CB 0.700 41.718 40.800 0.363 0.000 1.038 359 D HN 0.417 nan 8.370 nan 0.000 0.513 360 R N 2.253 122.808 120.500 0.092 0.000 2.091 360 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 360 R C 2.038 178.336 176.300 -0.004 0.000 1.136 360 R CA 1.517 57.641 56.100 0.040 0.000 0.959 360 R CB -0.141 30.195 30.300 0.060 0.000 0.856 360 R HN 0.423 nan 8.270 nan 0.000 0.437 361 A N 1.090 123.909 122.820 -0.002 0.000 1.940 361 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 361 A C 1.972 179.497 177.584 -0.098 0.000 1.176 361 A CA 1.295 53.311 52.037 -0.034 0.000 0.631 361 A CB -0.369 18.614 19.000 -0.030 0.000 0.814 361 A HN 0.220 nan 8.150 nan 0.000 0.446 362 L N -1.419 119.699 121.223 -0.174 0.000 2.607 362 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 362 L C 1.586 178.276 176.870 -0.300 0.000 1.123 362 L CA 0.386 55.115 54.840 -0.185 0.000 0.890 362 L CB -0.139 41.792 42.059 -0.213 0.000 1.103 362 L HN 0.569 nan 8.230 nan 0.000 0.468 363 G N 0.997 109.554 108.800 -0.404 0.000 2.168 363 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 363 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 363 G C 0.179 174.841 174.900 -0.397 0.000 0.997 363 G CA 0.028 44.681 45.100 -0.746 0.000 0.708 363 G HN 0.265 nan 8.290 nan 0.000 0.520 364 L N 1.435 122.540 121.223 -0.196 0.000 2.265 364 L HA 0.507 4.847 4.340 -0.000 0.000 0.288 364 L C 0.152 176.985 176.870 -0.062 0.000 1.058 364 L CA -0.329 54.442 54.840 -0.114 0.000 0.809 364 L CB 1.584 43.609 42.059 -0.058 0.000 1.179 364 L HN 0.126 nan 8.230 nan 0.000 0.429 365 S N 2.923 118.565 115.700 -0.096 0.000 2.456 365 S HA 0.583 5.053 4.470 -0.000 0.000 0.316 365 S C -0.427 174.059 174.600 -0.190 0.000 1.089 365 S CA -0.544 57.597 58.200 -0.098 0.000 1.101 365 S CB 1.764 64.923 63.200 -0.068 0.000 0.995 365 S HN 0.272 nan 8.310 nan 0.000 0.468 366 V N 4.597 124.300 119.914 -0.352 0.000 2.531 366 V HA 0.603 4.723 4.120 -0.000 0.000 0.301 366 V C -0.884 175.075 176.094 -0.225 0.000 1.034 366 V CA -0.715 61.332 62.300 -0.422 0.000 0.865 366 V CB 1.507 32.768 31.823 -0.936 0.000 0.995 366 V HN 0.710 nan 8.190 nan 0.000 0.424 367 L N 6.051 127.235 121.223 -0.064 0.000 2.410 367 L HA 0.830 5.170 4.340 -0.000 0.000 0.270 367 L C -1.517 175.387 176.870 0.056 0.000 0.983 367 L CA -0.510 54.349 54.840 0.032 0.000 0.822 367 L CB 1.859 43.908 42.059 -0.016 0.000 1.285 367 L HN 0.629 nan 8.230 nan 0.000 0.409 368 L N 5.702 126.980 121.223 0.091 0.000 2.372 368 L HA 0.646 4.986 4.340 -0.000 0.000 0.274 368 L C -1.810 175.068 176.870 0.013 0.000 0.988 368 L CA -0.151 54.750 54.840 0.101 0.000 0.833 368 L CB 1.491 43.657 42.059 0.177 0.000 1.236 368 L HN 0.611 nan 8.230 nan 0.000 0.410 369 L N 4.867 125.974 121.223 -0.194 0.000 2.313 369 L HA 0.754 5.094 4.340 -0.000 0.000 0.283 369 L C 0.149 176.839 176.870 -0.301 0.000 1.013 369 L CA -0.401 54.116 54.840 -0.538 0.000 0.816 369 L CB 1.927 43.114 42.059 -1.453 0.000 1.236 369 L HN 0.755 nan 8.230 nan 0.000 0.419 370 T N -1.540 113.135 114.554 0.202 0.000 2.864 370 T HA 0.354 4.704 4.350 -0.000 0.000 0.289 370 T C 0.047 175.063 174.700 0.527 0.000 1.082 370 T CA -0.818 61.489 62.100 0.344 0.000 1.009 370 T CB 1.728 70.745 68.868 0.249 0.000 1.234 370 T HN 0.567 nan 8.240 nan 0.000 0.526 371 N N -0.792 118.164 118.700 0.428 0.000 2.273 371 N HA 0.223 4.963 4.740 -0.000 0.000 0.231 371 N C -0.656 175.010 175.510 0.260 0.000 1.134 371 N CA -0.539 52.727 53.050 0.360 0.000 0.856 371 N CB 0.374 39.069 38.487 0.346 0.000 1.068 371 N HN 0.566 nan 8.380 nan 0.000 0.510 372 T N 0.333 114.993 114.554 0.175 0.000 2.934 372 T HA 0.605 4.955 4.350 -0.000 0.000 0.328 372 T C -0.502 174.207 174.700 0.016 0.000 1.068 372 T CA -0.662 61.494 62.100 0.092 0.000 1.018 372 T CB 0.981 69.891 68.868 0.072 0.000 1.009 372 T HN 0.357 nan 8.240 nan 0.000 0.471 373 A N 2.724 125.479 122.820 -0.109 0.000 2.354 373 A HA 0.556 4.876 4.320 -0.000 0.000 0.281 373 A C -0.271 177.052 177.584 -0.436 0.000 1.174 373 A CA -0.230 51.611 52.037 -0.326 0.000 0.828 373 A CB 0.034 18.663 19.000 -0.617 0.000 1.099 373 A HN 0.892 nan 8.150 nan 0.000 0.516 374 Y N 1.050 121.366 120.300 0.028 0.000 2.531 374 Y HA 0.147 4.697 4.550 -0.000 0.000 0.249 374 Y C 1.751 177.637 175.900 -0.023 0.000 1.168 374 Y CA 0.070 58.163 58.100 -0.012 0.000 1.226 374 Y CB 0.059 38.481 38.460 -0.064 0.000 1.177 374 Y HN 0.857 nan 8.280 nan 0.000 0.527 375 E N 1.059 121.317 120.200 0.097 0.000 2.086 375 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 375 E C 2.421 179.067 176.600 0.078 0.000 1.012 375 E CA 1.906 58.349 56.400 0.072 0.000 0.812 375 E CB -0.495 29.241 29.700 0.060 0.000 0.743 375 E HN 0.444 nan 8.360 nan 0.000 0.453 376 G N -0.465 108.394 108.800 0.098 0.000 2.744 376 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.211 376 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.211 376 G C 1.389 176.350 174.900 0.102 0.000 1.143 376 G CA 0.598 45.770 45.100 0.119 0.000 0.788 376 G HN 0.328 nan 8.290 nan 0.000 0.534 377 M N 0.499 120.147 119.600 0.080 0.000 2.556 377 M HA 0.080 4.560 4.480 -0.000 0.000 0.259 377 M C 2.047 178.335 176.300 -0.021 0.000 1.175 377 M CA 1.773 57.097 55.300 0.039 0.000 1.202 377 M CB 0.602 33.233 32.600 0.052 0.000 1.298 377 M HN 0.195 nan 8.290 nan 0.000 0.492 378 S N -1.071 114.604 115.700 -0.043 0.000 2.787 378 S HA 0.375 4.845 4.470 -0.000 0.000 0.255 378 S C 0.739 175.294 174.600 -0.074 0.000 1.051 378 S CA -0.192 57.942 58.200 -0.110 0.000 1.124 378 S CB 0.145 63.123 63.200 -0.370 0.000 1.104 378 S HN 0.441 nan 8.310 nan 0.000 0.623 379 G N 2.357 111.143 108.800 -0.024 0.000 2.563 379 G HA2 0.485 4.444 3.960 -0.000 0.000 0.283 379 G HA3 0.485 4.444 3.960 -0.000 0.000 0.283 379 G C -1.793 173.101 174.900 -0.009 0.000 1.309 379 G CA -1.534 43.559 45.100 -0.011 0.000 1.022 379 G HN 0.070 nan 8.290 nan 0.000 0.501 380 P HA -0.133 nan 4.420 nan 0.000 0.216 380 P C 2.189 179.479 177.300 -0.016 0.000 1.150 380 P CA 0.507 63.600 63.100 -0.011 0.000 0.843 380 P CB 0.105 31.800 31.700 -0.008 0.000 0.787 381 L N -0.384 120.833 121.223 -0.009 0.000 2.051 381 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 381 L C 2.286 179.139 176.870 -0.029 0.000 1.076 381 L CA 2.834 57.659 54.840 -0.026 0.000 0.758 381 L CB -1.177 40.892 42.059 0.016 0.000 0.890 381 L HN 0.192 nan 8.230 nan 0.000 0.433 382 T N -2.881 111.675 114.554 0.004 0.000 2.867 382 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 382 T C 1.841 176.554 174.700 0.022 0.000 1.057 382 T CA 0.806 62.922 62.100 0.026 0.000 1.136 382 T CB -0.260 68.626 68.868 0.031 0.000 0.874 382 T HN 0.140 nan 8.240 nan 0.000 0.466 383 I N 2.266 122.835 120.570 -0.002 0.000 2.333 383 I HA 0.150 4.320 4.170 -0.000 0.000 0.246 383 I C 3.094 179.206 176.117 -0.008 0.000 1.106 383 I CA 0.809 62.105 61.300 -0.006 0.000 1.411 383 I CB -1.696 36.294 38.000 -0.017 0.000 1.082 383 I HN 0.368 nan 8.210 nan 0.000 0.420 384 A N 0.827 123.630 122.820 -0.028 0.000 1.933 384 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 384 A C 2.403 179.952 177.584 -0.058 0.000 1.175 384 A CA 1.216 53.227 52.037 -0.045 0.000 0.628 384 A CB -0.741 18.218 19.000 -0.067 0.000 0.814 384 A HN 0.370 nan 8.150 nan 0.000 0.444 385 L N -1.107 120.068 121.223 -0.079 0.000 2.027 385 L HA -0.174 4.165 4.340 -0.000 0.000 0.206 385 L C 2.825 179.725 176.870 0.051 0.000 1.074 385 L CA 1.707 56.493 54.840 -0.090 0.000 0.745 385 L CB -0.501 41.487 42.059 -0.117 0.000 0.898 385 L HN 0.484 nan 8.230 nan 0.000 0.433 386 R N 0.399 120.983 120.500 0.140 0.000 2.080 386 R HA -0.212 4.128 4.340 -0.000 0.000 0.236 386 R C 1.834 178.289 176.300 0.258 0.000 1.137 386 R CA 2.260 58.523 56.100 0.272 0.000 0.943 386 R CB -0.280 30.109 30.300 0.148 0.000 0.846 386 R HN 0.324 nan 8.270 nan 0.000 0.431 387 D N 0.176 120.645 120.400 0.116 0.000 2.144 387 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 387 D C 1.681 178.045 176.300 0.106 0.000 0.984 387 D CA 1.486 55.544 54.000 0.097 0.000 0.834 387 D CB -0.220 40.596 40.800 0.026 0.000 0.955 387 D HN 0.428 nan 8.370 nan 0.000 0.465 388 A N 0.432 123.283 122.820 0.052 0.000 1.968 388 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 388 A C 2.470 180.063 177.584 0.015 0.000 1.169 388 A CA 0.721 52.764 52.037 0.009 0.000 0.638 388 A CB -0.538 18.427 19.000 -0.058 0.000 0.812 388 A HN 0.130 nan 8.150 nan 0.000 0.446 389 V N -1.524 118.419 119.914 0.048 0.000 2.332 389 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 389 V C 1.980 178.023 176.094 -0.085 0.000 1.055 389 V CA 1.777 64.056 62.300 -0.034 0.000 1.038 389 V CB -0.904 30.912 31.823 -0.013 0.000 0.651 389 V HN 0.708 nan 8.190 nan 0.000 0.450 390 Y N -0.119 120.212 120.300 0.052 0.000 2.461 390 Y HA 0.568 5.118 4.550 -0.000 0.000 0.277 390 Y C 1.416 177.332 175.900 0.027 0.000 1.182 390 Y CA -0.213 57.918 58.100 0.051 0.000 1.276 390 Y CB -0.737 37.756 38.460 0.055 0.000 1.087 390 Y HN 0.195 nan 8.280 nan 0.000 0.519 391 A N 0.000 122.894 122.820 0.123 0.000 2.254 391 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 391 A CA 0.000 52.082 52.037 0.076 0.000 0.836 391 A CB 0.000 19.022 19.000 0.037 0.000 0.831 391 A HN 0.000 nan 8.150 nan 0.000 0.486