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 2x98_1_B DATA FIRST_RESID 44 DATA SEQUENCE ASPAANAIAY IVDGMGQTQI SAARYLNAYK TAPERFPLNV SPAETPTGFD DATA SEQUENCE AFSSRGSMTT FPDDPYETTT DSAAAATAFA SGVKTYNGAI GGVQTSGGGF DATA SEQUENCE QRVDTVLERA SAQGYATGLI TTTEATHATP AAFAAHVEDR GNQTEIARQY DATA SEQUENCE IEETQPDVIL GGQRRDFEAD ASNGGTLVDA ARDNGYTIAE TAAELDAVDD DATA SEQUENCE PPVLGLFSQE SHLDYYLDRK NDPENTQPNL DAMVDAGVDL LSXXGDPDKG DATA SEQUENCE FFLLVESGRV DHAGHANYPA QVAEQYEATQ VAGQLVEYAE TTAEPTFLVS DATA SEQUENCE TGDHECGGLT LGRDSPYEVE YDVLAAQKAT TSRLRDLLAG VRSADELESI DATA SEQUENCE VAAHTGITAL TDREVAKLRD APGSISTILA ERAGIAFTTD GHTGTDVPVF DATA SEQUENCE AHGPNAARFD AARDNTAVAD ALAAALGVSL 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 44 A HA 0.000 nan 4.320 nan 0.000 0.244 44 A C 0.000 177.602 177.584 0.030 0.000 1.274 44 A CA 0.000 52.049 52.037 0.019 0.000 0.836 44 A CB 0.000 19.009 19.000 0.015 0.000 0.831 45 S N 0.958 116.690 115.700 0.053 0.000 2.634 45 S HA 0.559 5.029 4.470 -0.000 0.000 0.261 45 S C -1.569 173.054 174.600 0.037 0.000 1.271 45 S CA -0.242 57.989 58.200 0.051 0.000 0.985 45 S CB 0.153 63.407 63.200 0.090 0.000 0.968 45 S HN 0.426 nan 8.310 nan 0.000 0.568 46 P HA 0.176 nan 4.420 nan 0.000 0.218 46 P C -0.022 177.299 177.300 0.034 0.000 1.149 46 P CA 1.396 64.503 63.100 0.012 0.000 0.817 46 P CB -0.085 31.605 31.700 -0.017 0.000 0.785 47 A N -1.447 121.402 122.820 0.048 0.000 2.401 47 A HA 0.687 5.007 4.320 -0.000 0.000 0.310 47 A C 0.877 178.525 177.584 0.106 0.000 1.075 47 A CA -0.033 52.047 52.037 0.072 0.000 0.746 47 A CB 1.449 20.512 19.000 0.104 0.000 1.277 47 A HN 0.003 nan 8.150 nan 0.000 0.425 48 A N 1.770 124.639 122.820 0.082 0.000 1.984 48 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 48 A C 0.609 178.257 177.584 0.106 0.000 1.173 48 A CA 0.984 53.092 52.037 0.119 0.000 0.673 48 A CB -0.261 18.765 19.000 0.043 0.000 0.830 48 A HN 0.839 nan 8.150 nan 0.000 0.453 49 N N -1.672 116.986 118.700 -0.069 0.000 2.229 49 N HA 0.641 5.381 4.740 -0.000 0.000 0.298 49 N C -1.002 174.418 175.510 -0.151 0.000 1.114 49 N CA -0.056 52.785 53.050 -0.349 0.000 0.776 49 N CB 2.092 40.102 38.487 -0.796 0.000 1.501 49 N HN 0.265 nan 8.380 nan 0.000 0.474 50 A N 1.467 124.229 122.820 -0.097 0.000 2.393 50 A HA 0.771 5.091 4.320 -0.000 0.000 0.306 50 A C -1.207 176.453 177.584 0.126 0.000 1.050 50 A CA -0.485 51.652 52.037 0.167 0.000 0.724 50 A CB 0.717 19.912 19.000 0.325 0.000 1.248 50 A HN 0.652 nan 8.150 nan 0.000 0.424 51 I N 1.530 122.169 120.570 0.116 0.000 2.498 51 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 51 I C 0.261 176.408 176.117 0.049 0.000 1.032 51 I CA -0.574 60.720 61.300 -0.010 0.000 1.073 51 I CB 2.212 40.222 38.000 0.017 0.000 1.251 51 I HN 0.735 nan 8.210 nan 0.000 0.426 52 A N 5.774 128.584 122.820 -0.016 0.000 2.271 52 A HA 0.581 4.901 4.320 -0.000 0.000 0.317 52 A C -1.484 176.118 177.584 0.029 0.000 1.245 52 A CA -0.298 51.769 52.037 0.049 0.000 0.857 52 A CB 0.552 19.623 19.000 0.120 0.000 1.175 52 A HN 0.590 nan 8.150 nan 0.000 0.512 53 Y N 5.086 125.329 120.300 -0.095 0.000 2.388 53 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 53 Y C -1.075 174.775 175.900 -0.082 0.000 0.963 53 Y CA -1.964 56.089 58.100 -0.079 0.000 1.240 53 Y CB 0.666 39.116 38.460 -0.017 0.000 1.118 53 Y HN 0.481 nan 8.280 nan 0.000 0.484 54 I N 7.372 127.821 120.570 -0.202 0.000 2.359 54 I HA 0.305 4.475 4.170 -0.000 0.000 0.294 54 I C -0.490 175.393 176.117 -0.390 0.000 0.987 54 I CA -1.037 60.096 61.300 -0.280 0.000 1.225 54 I CB 1.338 39.306 38.000 -0.053 0.000 1.366 54 I HN 0.299 nan 8.210 nan 0.000 0.466 55 V N 5.372 125.048 119.914 -0.396 0.000 2.328 55 V HA 0.214 4.333 4.120 -0.000 0.000 0.278 55 V C 0.186 176.163 176.094 -0.195 0.000 1.021 55 V CA -0.804 61.319 62.300 -0.296 0.000 0.838 55 V CB 1.413 33.076 31.823 -0.267 0.000 0.999 55 V HN 0.620 nan 8.190 nan 0.000 0.447 56 D N 3.998 124.307 120.400 -0.152 0.000 2.371 56 D HA 0.333 4.973 4.640 -0.000 0.000 0.256 56 D C 1.185 177.349 176.300 -0.227 0.000 1.193 56 D CA 1.562 55.460 54.000 -0.171 0.000 0.881 56 D CB 1.440 42.194 40.800 -0.077 0.000 1.143 56 D HN 0.933 nan 8.370 nan 0.000 0.473 57 G N 3.839 112.367 108.800 -0.455 0.000 2.159 57 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.256 57 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.256 57 G C 0.561 175.349 174.900 -0.187 0.000 0.977 57 G CA 0.361 45.255 45.100 -0.344 0.000 0.652 57 G HN 0.568 nan 8.290 nan 0.000 0.531 58 M N 1.559 121.047 119.600 -0.187 0.000 2.143 58 M HA 0.548 5.028 4.480 -0.000 0.000 0.348 58 M C 0.798 177.036 176.300 -0.103 0.000 1.375 58 M CA 0.543 55.777 55.300 -0.110 0.000 1.124 58 M CB 0.282 32.812 32.600 -0.116 0.000 1.669 58 M HN 0.268 nan 8.290 nan 0.000 0.469 59 G N 2.470 111.238 108.800 -0.054 0.000 2.820 59 G HA2 0.238 4.198 3.960 -0.000 0.000 0.291 59 G HA3 0.238 4.198 3.960 -0.000 0.000 0.291 59 G C -0.043 174.837 174.900 -0.034 0.000 1.323 59 G CA -0.372 44.703 45.100 -0.043 0.000 1.055 59 G HN 0.714 nan 8.290 nan 0.000 0.520 60 Q N -0.872 118.911 119.800 -0.028 0.000 2.181 60 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 60 Q C 2.377 178.388 176.000 0.019 0.000 0.980 60 Q CA 2.696 58.494 55.803 -0.009 0.000 0.862 60 Q CB -0.603 28.128 28.738 -0.011 0.000 0.905 60 Q HN 0.537 nan 8.270 nan 0.000 0.429 61 T N 0.075 114.637 114.554 0.013 0.000 2.821 61 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 61 T C 1.538 176.263 174.700 0.042 0.000 1.046 61 T CA 1.306 63.417 62.100 0.019 0.000 1.139 61 T CB -0.134 68.727 68.868 -0.011 0.000 0.871 61 T HN 0.299 nan 8.240 nan 0.000 0.454 62 Q N 0.677 120.502 119.800 0.041 0.000 2.084 62 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 62 Q C 2.225 178.285 176.000 0.099 0.000 0.978 62 Q CA 1.244 57.089 55.803 0.069 0.000 0.844 62 Q CB -0.499 28.272 28.738 0.055 0.000 0.898 62 Q HN 0.519 nan 8.270 nan 0.000 0.426 63 I N -0.233 120.382 120.570 0.075 0.000 2.163 63 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 63 I C 2.033 178.243 176.117 0.154 0.000 1.085 63 I CA 1.192 62.554 61.300 0.103 0.000 1.347 63 I CB -0.284 37.736 38.000 0.033 0.000 1.044 63 I HN 0.110 nan 8.210 nan 0.000 0.408 64 S N 0.748 116.539 115.700 0.153 0.000 2.368 64 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 64 S C 2.263 177.055 174.600 0.320 0.000 1.030 64 S CA 1.280 59.622 58.200 0.237 0.000 0.999 64 S CB -0.408 62.913 63.200 0.202 0.000 0.844 64 S HN 0.549 nan 8.310 nan 0.000 0.459 65 A N 1.600 124.561 122.820 0.235 0.000 1.902 65 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 65 A C 2.346 180.123 177.584 0.322 0.000 1.181 65 A CA 1.724 53.938 52.037 0.295 0.000 0.623 65 A CB -1.034 18.084 19.000 0.198 0.000 0.818 65 A HN 0.526 nan 8.150 nan 0.000 0.443 66 A N -0.580 122.395 122.820 0.258 0.000 1.968 66 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 66 A C 2.210 179.945 177.584 0.253 0.000 1.169 66 A CA 1.457 53.655 52.037 0.268 0.000 0.638 66 A CB -0.471 18.676 19.000 0.246 0.000 0.812 66 A HN 0.560 nan 8.150 nan 0.000 0.446 67 R N -1.578 119.053 120.500 0.217 0.000 2.083 67 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 67 R C 1.859 178.206 176.300 0.078 0.000 1.137 67 R CA 2.099 58.278 56.100 0.132 0.000 0.951 67 R CB -0.468 29.884 30.300 0.087 0.000 0.851 67 R HN 0.552 nan 8.270 nan 0.000 0.434 68 Y N 0.476 120.762 120.300 -0.024 0.000 2.181 68 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 68 Y C 2.139 177.898 175.900 -0.236 0.000 1.146 68 Y CA 1.318 59.308 58.100 -0.184 0.000 1.164 68 Y CB -0.403 37.662 38.460 -0.658 0.000 0.982 68 Y HN 0.139 nan 8.280 nan 0.000 0.515 69 L N 0.669 121.892 121.223 -0.001 0.000 2.012 69 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 69 L C 2.050 178.957 176.870 0.063 0.000 1.073 69 L CA 2.122 56.989 54.840 0.045 0.000 0.748 69 L CB -1.028 41.102 42.059 0.118 0.000 0.891 69 L HN 0.228 nan 8.230 nan 0.000 0.431 70 N N -0.369 118.434 118.700 0.173 0.000 2.104 70 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 70 N C 1.779 177.372 175.510 0.138 0.000 1.024 70 N CA 1.777 54.976 53.050 0.247 0.000 0.853 70 N CB -0.273 38.382 38.487 0.281 0.000 1.008 70 N HN 0.492 nan 8.380 nan 0.000 0.424 71 A N -0.812 122.085 122.820 0.128 0.000 1.898 71 A HA -0.131 4.188 4.320 -0.000 0.000 0.216 71 A C 2.200 179.890 177.584 0.177 0.000 1.181 71 A CA 1.299 53.432 52.037 0.160 0.000 0.620 71 A CB -1.260 17.849 19.000 0.181 0.000 0.819 71 A HN 0.564 nan 8.150 nan 0.000 0.442 72 Y N 0.895 121.146 120.300 -0.081 0.000 2.181 72 Y HA -0.206 4.343 4.550 -0.000 0.000 0.288 72 Y C 2.243 178.039 175.900 -0.174 0.000 1.146 72 Y CA 2.274 60.134 58.100 -0.400 0.000 1.164 72 Y CB -0.169 37.798 38.460 -0.822 0.000 0.982 72 Y HN 0.277 nan 8.280 nan 0.000 0.515 73 K N -1.043 119.306 120.400 -0.086 0.000 2.097 73 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 73 K C 1.973 178.507 176.600 -0.111 0.000 1.049 73 K CA 1.837 58.061 56.287 -0.106 0.000 0.933 73 K CB -0.326 32.152 32.500 -0.037 0.000 0.717 73 K HN 0.272 nan 8.250 nan 0.000 0.442 74 T N 0.315 114.839 114.554 -0.049 0.000 2.737 74 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 74 T C 0.735 175.398 174.700 -0.061 0.000 1.038 74 T CA 1.311 63.396 62.100 -0.025 0.000 1.144 74 T CB 0.078 68.955 68.868 0.015 0.000 0.866 74 T HN 0.274 nan 8.240 nan 0.000 0.434 75 A N 1.201 123.971 122.820 -0.083 0.000 3.158 75 A HA 0.528 4.848 4.320 -0.000 0.000 0.302 75 A C -2.197 175.324 177.584 -0.105 0.000 1.162 75 A CA -1.011 50.982 52.037 -0.074 0.000 0.824 75 A CB 0.913 19.905 19.000 -0.014 0.000 1.322 75 A HN 0.028 nan 8.150 nan 0.000 0.510 76 P HA -0.153 nan 4.420 nan 0.000 0.220 76 P C 0.776 178.051 177.300 -0.042 0.000 1.148 76 P CA 1.468 64.319 63.100 -0.416 0.000 0.803 76 P CB 0.323 31.591 31.700 -0.720 0.000 0.782 77 E N 0.260 120.446 120.200 -0.024 0.000 2.204 77 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 77 E C 2.000 178.643 176.600 0.072 0.000 0.989 77 E CA 0.984 57.405 56.400 0.035 0.000 0.824 77 E CB -0.821 28.885 29.700 0.010 0.000 0.756 77 E HN 0.333 nan 8.360 nan 0.000 0.477 78 R N -0.390 120.154 120.500 0.074 0.000 2.223 78 R HA 0.167 4.507 4.340 -0.000 0.000 0.198 78 R C 0.198 176.563 176.300 0.108 0.000 0.984 78 R CA -0.241 55.900 56.100 0.069 0.000 1.018 78 R CB -0.165 30.157 30.300 0.036 0.000 0.945 78 R HN 0.138 nan 8.270 nan 0.000 0.479 79 F N 4.463 124.426 119.950 0.022 0.000 2.607 79 F HA 0.016 4.543 4.527 -0.000 0.000 0.374 79 F C -1.300 174.562 175.800 0.104 0.000 1.104 79 F CA -1.657 56.387 58.000 0.073 0.000 1.296 79 F CB 0.887 39.986 39.000 0.166 0.000 1.085 79 F HN -0.089 nan 8.300 nan 0.000 0.584 80 P HA 0.063 nan 4.420 nan 0.000 0.262 80 P C 1.385 178.412 177.300 -0.454 0.000 1.304 80 P CA 0.443 62.870 63.100 -1.122 0.000 0.859 80 P CB 0.166 31.269 31.700 -0.995 0.000 1.310 81 L N 1.109 122.200 121.223 -0.220 0.000 2.127 81 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 81 L C 2.133 178.933 176.870 -0.116 0.000 1.089 81 L CA 1.645 56.408 54.840 -0.129 0.000 0.757 81 L CB -1.006 41.016 42.059 -0.063 0.000 0.899 81 L HN 0.168 nan 8.230 nan 0.000 0.434 82 N N -0.188 118.456 118.700 -0.093 0.000 2.521 82 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 82 N C 1.390 176.841 175.510 -0.099 0.000 1.146 82 N CA 0.551 53.565 53.050 -0.060 0.000 0.893 82 N CB -0.417 38.069 38.487 -0.001 0.000 0.975 82 N HN 0.157 nan 8.380 nan 0.000 0.451 83 V N 0.187 119.975 119.914 -0.210 0.000 2.626 83 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 83 V C 1.328 177.285 176.094 -0.229 0.000 1.067 83 V CA 0.822 62.931 62.300 -0.318 0.000 1.081 83 V CB -0.920 30.486 31.823 -0.696 0.000 0.686 83 V HN 0.419 nan 8.190 nan 0.000 0.468 84 S N 0.989 116.592 115.700 -0.161 0.000 2.593 84 S HA 0.001 4.471 4.470 -0.000 0.000 0.300 84 S C -0.981 173.578 174.600 -0.068 0.000 1.267 84 S CA -0.789 57.352 58.200 -0.099 0.000 1.065 84 S CB 0.815 63.974 63.200 -0.068 0.000 0.807 84 S HN 0.229 nan 8.310 nan 0.000 0.499 85 P HA 0.011 nan 4.420 nan 0.000 0.225 85 P C 1.045 178.339 177.300 -0.011 0.000 1.148 85 P CA 1.113 64.202 63.100 -0.018 0.000 0.779 85 P CB -0.067 31.637 31.700 0.007 0.000 0.780 86 A N -0.185 122.627 122.820 -0.014 0.000 2.014 86 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 86 A C 2.140 179.716 177.584 -0.015 0.000 1.163 86 A CA 1.275 53.307 52.037 -0.009 0.000 0.652 86 A CB -0.582 18.413 19.000 -0.009 0.000 0.808 86 A HN 0.055 nan 8.150 nan 0.000 0.449 87 E N -0.650 119.536 120.200 -0.024 0.000 2.127 87 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 87 E C -0.135 176.453 176.600 -0.021 0.000 0.964 87 E CA 0.920 57.306 56.400 -0.024 0.000 0.832 87 E CB 0.163 29.844 29.700 -0.032 0.000 0.790 87 E HN 0.365 nan 8.360 nan 0.000 0.465 88 T N 3.466 118.004 114.554 -0.026 0.000 3.133 88 T HA 0.319 4.668 4.350 -0.000 0.000 0.368 88 T C -2.701 171.988 174.700 -0.019 0.000 1.190 88 T CA -1.264 60.824 62.100 -0.019 0.000 1.282 88 T CB 1.850 70.708 68.868 -0.017 0.000 1.042 88 T HN -0.129 nan 8.240 nan 0.000 0.536 89 P HA 0.287 nan 4.420 nan 0.000 0.271 89 P C 0.398 177.684 177.300 -0.023 0.000 1.216 89 P CA -0.231 62.861 63.100 -0.013 0.000 0.776 89 P CB 0.558 32.250 31.700 -0.014 0.000 0.881 90 T N -1.578 112.966 114.554 -0.017 0.000 2.923 90 T HA 0.439 4.788 4.350 -0.000 0.000 0.281 90 T C 1.617 176.267 174.700 -0.083 0.000 0.995 90 T CA -0.177 61.898 62.100 -0.042 0.000 0.985 90 T CB 0.883 69.750 68.868 -0.001 0.000 1.114 90 T HN 0.335 nan 8.240 nan 0.000 0.548 91 G N -0.201 108.494 108.800 -0.176 0.000 2.469 91 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 91 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 91 G C 1.035 175.803 174.900 -0.220 0.000 1.150 91 G CA 0.482 45.422 45.100 -0.268 0.000 0.763 91 G HN 0.628 nan 8.290 nan 0.000 0.561 92 F N 1.422 121.262 119.950 -0.184 0.000 2.325 92 F HA 0.081 4.608 4.527 -0.000 0.000 0.299 92 F C 2.260 177.979 175.800 -0.134 0.000 1.090 92 F CA 0.883 58.640 58.000 -0.404 0.000 1.392 92 F CB -0.072 38.305 39.000 -1.039 0.000 1.053 92 F HN 0.067 nan 8.300 nan 0.000 0.521 93 D N 0.148 120.612 120.400 0.106 0.000 2.218 93 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 93 D C 2.286 178.662 176.300 0.127 0.000 0.976 93 D CA 1.175 55.250 54.000 0.124 0.000 0.853 93 D CB -0.427 40.415 40.800 0.069 0.000 0.939 93 D HN 0.256 nan 8.370 nan 0.000 0.481 94 A N 0.171 123.034 122.820 0.071 0.000 2.067 94 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 94 A C 0.678 178.231 177.584 -0.052 0.000 1.158 94 A CA 0.136 52.155 52.037 -0.031 0.000 0.661 94 A CB -0.552 18.347 19.000 -0.169 0.000 0.801 94 A HN 0.032 nan 8.150 nan 0.000 0.452 95 F N 0.955 120.875 119.950 -0.049 0.000 2.529 95 F HA 0.112 4.639 4.527 -0.000 0.000 0.365 95 F C 1.966 177.929 175.800 0.271 0.000 1.102 95 F CA 0.466 58.528 58.000 0.102 0.000 1.271 95 F CB 0.825 39.948 39.000 0.204 0.000 1.120 95 F HN 0.211 nan 8.300 nan 0.000 0.579 96 S N 0.026 116.095 115.700 0.615 0.000 2.402 96 S HA -0.011 4.458 4.470 -0.000 0.000 0.229 96 S C 0.678 175.443 174.600 0.276 0.000 1.021 96 S CA 0.527 58.928 58.200 0.335 0.000 0.974 96 S CB -0.140 63.154 63.200 0.157 0.000 0.800 96 S HN 0.413 nan 8.310 nan 0.000 0.484 97 S N 1.491 117.387 115.700 0.327 0.000 2.568 97 S HA 0.762 5.232 4.470 -0.000 0.000 0.293 97 S C -0.667 174.079 174.600 0.244 0.000 1.089 97 S CA -1.021 57.331 58.200 0.253 0.000 0.945 97 S CB 1.896 65.236 63.200 0.233 0.000 1.077 97 S HN 0.652 nan 8.310 nan 0.000 0.485 98 R N 0.375 120.946 120.500 0.118 0.000 2.668 98 R HA 0.837 5.177 4.340 -0.000 0.000 0.272 98 R C -0.444 175.800 176.300 -0.092 0.000 1.019 98 R CA -0.835 55.208 56.100 -0.094 0.000 0.894 98 R CB 1.111 31.314 30.300 -0.161 0.000 1.228 98 R HN 0.786 nan 8.270 nan 0.000 0.460 99 G N 0.190 108.878 108.800 -0.186 0.000 2.871 99 G HA2 0.529 4.489 3.960 -0.000 0.000 0.282 99 G HA3 0.529 4.489 3.960 -0.000 0.000 0.282 99 G C -1.400 173.402 174.900 -0.162 0.000 1.212 99 G CA -0.158 44.888 45.100 -0.090 0.000 0.812 99 G HN 0.872 nan 8.290 nan 0.000 0.547 100 S N -1.568 114.088 115.700 -0.073 0.000 2.599 100 S HA 0.810 5.280 4.470 -0.000 0.000 0.287 100 S C -0.723 173.872 174.600 -0.008 0.000 1.105 100 S CA -0.585 57.571 58.200 -0.075 0.000 0.899 100 S CB 2.105 65.276 63.200 -0.049 0.000 1.100 100 S HN 0.974 nan 8.310 nan 0.000 0.482 101 M N 2.561 122.159 119.600 -0.003 0.000 2.326 101 M HA 0.451 4.931 4.480 -0.000 0.000 0.292 101 M C -0.844 175.485 176.300 0.048 0.000 1.081 101 M CA -0.288 55.040 55.300 0.046 0.000 0.919 101 M CB 2.317 34.959 32.600 0.070 0.000 1.634 101 M HN 0.993 nan 8.290 nan 0.000 0.451 102 T N 0.179 114.768 114.554 0.059 0.000 2.897 102 T HA 0.405 4.755 4.350 -0.000 0.000 0.294 102 T C 0.771 175.429 174.700 -0.070 0.000 1.004 102 T CA 0.008 62.155 62.100 0.078 0.000 1.106 102 T CB 0.889 69.897 68.868 0.233 0.000 0.949 102 T HN 0.796 nan 8.240 nan 0.000 0.520 103 T N -0.803 113.730 114.554 -0.035 0.000 3.040 103 T HA 0.261 4.611 4.350 -0.000 0.000 0.266 103 T C 0.431 175.028 174.700 -0.172 0.000 1.005 103 T CA -0.823 61.213 62.100 -0.107 0.000 0.906 103 T CB -0.652 68.236 68.868 0.035 0.000 1.082 103 T HN 0.656 nan 8.240 nan 0.000 0.531 104 F N 2.402 122.370 119.950 0.029 0.000 2.545 104 F HA 0.616 5.143 4.527 -0.000 0.000 0.348 104 F C -2.408 173.398 175.800 0.010 0.000 1.163 104 F CA -2.432 55.584 58.000 0.026 0.000 1.331 104 F CB -0.387 38.628 39.000 0.025 0.000 1.138 104 F HN -0.105 nan 8.300 nan 0.000 0.602 105 P HA 0.157 nan 4.420 nan 0.000 0.284 105 P C -1.346 176.091 177.300 0.228 0.000 1.287 105 P CA -0.378 62.784 63.100 0.104 0.000 0.824 105 P CB 1.280 33.035 31.700 0.091 0.000 1.180 106 D N 0.092 120.579 120.400 0.146 0.000 2.557 106 D HA 0.253 4.893 4.640 -0.000 0.000 0.236 106 D C -1.083 175.299 176.300 0.137 0.000 1.154 106 D CA 0.055 54.142 54.000 0.146 0.000 0.985 106 D CB -0.903 39.967 40.800 0.117 0.000 1.010 106 D HN 0.178 nan 8.370 nan 0.000 0.516 107 D N 1.269 121.740 120.400 0.119 0.000 2.340 107 D HA 0.383 5.023 4.640 -0.000 0.000 0.240 107 D C -1.263 175.028 176.300 -0.014 0.000 1.001 107 D CA -1.751 52.314 54.000 0.109 0.000 0.888 107 D CB 1.904 42.786 40.800 0.137 0.000 1.310 107 D HN 0.036 nan 8.370 nan 0.000 0.474 108 P HA -0.061 nan 4.420 nan 0.000 0.223 108 P C 0.117 177.050 177.300 -0.612 0.000 1.151 108 P CA 1.186 64.014 63.100 -0.453 0.000 0.787 108 P CB 0.331 31.616 31.700 -0.692 0.000 0.788 109 Y N -0.720 119.598 120.300 0.030 0.000 2.652 109 Y HA 0.293 4.843 4.550 -0.000 0.000 0.274 109 Y C 1.049 176.966 175.900 0.029 0.000 1.148 109 Y CA -0.427 57.685 58.100 0.022 0.000 1.219 109 Y CB -0.049 38.418 38.460 0.012 0.000 1.337 109 Y HN -0.139 nan 8.280 nan 0.000 0.490 110 E N 0.732 121.046 120.200 0.189 0.000 2.249 110 E HA 0.187 4.537 4.350 -0.000 0.000 0.280 110 E C 0.510 177.177 176.600 0.111 0.000 1.016 110 E CA 0.358 56.838 56.400 0.133 0.000 0.830 110 E CB 1.376 31.148 29.700 0.118 0.000 1.081 110 E HN 0.267 nan 8.360 nan 0.000 0.395 111 T N -1.232 113.380 114.554 0.097 0.000 3.057 111 T HA 0.021 4.371 4.350 -0.000 0.000 0.254 111 T C 0.845 175.627 174.700 0.136 0.000 1.094 111 T CA 0.033 62.193 62.100 0.101 0.000 1.088 111 T CB 0.245 69.153 68.868 0.067 0.000 0.934 111 T HN 0.207 nan 8.240 nan 0.000 0.497 112 T N 2.520 117.144 114.554 0.118 0.000 2.795 112 T HA 0.488 4.838 4.350 -0.000 0.000 0.282 112 T C -0.071 174.698 174.700 0.115 0.000 0.980 112 T CA -0.402 61.773 62.100 0.124 0.000 1.012 112 T CB 1.664 70.597 68.868 0.107 0.000 0.936 112 T HN 0.214 nan 8.240 nan 0.000 0.457 113 T N 2.824 117.447 114.554 0.116 0.000 2.860 113 T HA 0.245 4.595 4.350 -0.000 0.000 0.299 113 T C 0.033 174.805 174.700 0.120 0.000 1.045 113 T CA -0.672 61.484 62.100 0.092 0.000 1.071 113 T CB 0.257 69.156 68.868 0.052 0.000 0.985 113 T HN 0.777 nan 8.240 nan 0.000 0.537 114 D N 1.306 121.772 120.400 0.111 0.000 2.487 114 D HA 0.309 4.949 4.640 -0.000 0.000 0.262 114 D C 0.995 177.405 176.300 0.183 0.000 1.130 114 D CA -0.629 53.477 54.000 0.177 0.000 1.038 114 D CB 0.604 41.471 40.800 0.111 0.000 1.142 114 D HN 0.405 nan 8.370 nan 0.000 0.575 115 S N -0.558 115.302 115.700 0.266 0.000 2.428 115 S HA 0.008 4.477 4.470 -0.000 0.000 0.230 115 S C 1.869 176.539 174.600 0.116 0.000 1.014 115 S CA 0.830 59.178 58.200 0.247 0.000 0.957 115 S CB -0.382 63.016 63.200 0.329 0.000 0.784 115 S HN 0.654 nan 8.310 nan 0.000 0.499 116 A N 1.888 124.747 122.820 0.065 0.000 1.873 116 A HA 0.202 4.522 4.320 -0.000 0.000 0.215 116 A C 2.382 179.925 177.584 -0.069 0.000 1.186 116 A CA 1.538 53.574 52.037 -0.003 0.000 0.616 116 A CB -1.136 17.846 19.000 -0.030 0.000 0.823 116 A HN 0.510 nan 8.150 nan 0.000 0.442 117 A N -0.250 122.523 122.820 -0.079 0.000 1.930 117 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 117 A C 2.479 179.944 177.584 -0.199 0.000 1.175 117 A CA 1.960 53.917 52.037 -0.133 0.000 0.627 117 A CB -0.931 18.018 19.000 -0.084 0.000 0.815 117 A HN 0.992 nan 8.150 nan 0.000 0.443 118 A N -0.161 122.532 122.820 -0.211 0.000 1.898 118 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 118 A C 2.467 179.608 177.584 -0.737 0.000 1.181 118 A CA 1.938 53.687 52.037 -0.480 0.000 0.620 118 A CB -0.920 17.878 19.000 -0.336 0.000 0.819 118 A HN 1.013 nan 8.150 nan 0.000 0.442 119 A N -1.210 121.424 122.820 -0.310 0.000 1.968 119 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 119 A C 2.232 179.707 177.584 -0.182 0.000 1.169 119 A CA 2.030 54.031 52.037 -0.060 0.000 0.638 119 A CB -1.053 18.076 19.000 0.215 0.000 0.812 119 A HN 0.410 nan 8.150 nan 0.000 0.446 120 T N 0.343 114.777 114.554 -0.200 0.000 2.746 120 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 120 T C 2.230 176.804 174.700 -0.210 0.000 1.039 120 T CA 1.473 63.452 62.100 -0.202 0.000 1.142 120 T CB -0.382 68.392 68.868 -0.156 0.000 0.866 120 T HN 0.582 nan 8.240 nan 0.000 0.444 121 A N 1.268 123.936 122.820 -0.253 0.000 1.877 121 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 121 A C 1.920 179.465 177.584 -0.065 0.000 1.186 121 A CA 1.354 53.269 52.037 -0.204 0.000 0.620 121 A CB -0.934 17.888 19.000 -0.296 0.000 0.822 121 A HN 0.432 nan 8.150 nan 0.000 0.443 122 F N 0.014 119.937 119.950 -0.046 0.000 2.171 122 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 122 F C 2.695 178.447 175.800 -0.079 0.000 1.090 122 F CA 0.509 58.532 58.000 0.038 0.000 1.293 122 F CB -0.941 38.191 39.000 0.221 0.000 1.013 122 F HN 0.281 nan 8.300 nan 0.000 0.486 123 A N -1.820 120.844 122.820 -0.260 0.000 2.044 123 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 123 A C 2.072 179.500 177.584 -0.260 0.000 1.169 123 A CA 1.318 52.972 52.037 -0.638 0.000 0.724 123 A CB -0.361 17.852 19.000 -1.312 0.000 0.840 123 A HN 0.247 nan 8.150 nan 0.000 0.463 124 S N -2.548 113.052 115.700 -0.166 0.000 2.649 124 S HA 0.397 4.867 4.470 -0.000 0.000 0.246 124 S C 1.154 175.718 174.600 -0.059 0.000 1.057 124 S CA 0.510 58.650 58.200 -0.101 0.000 1.051 124 S CB 0.808 63.951 63.200 -0.097 0.000 1.018 124 S HN 1.579 nan 8.310 nan 0.000 0.569 125 G N 2.076 110.852 108.800 -0.041 0.000 2.147 125 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 125 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 125 G C 0.061 174.942 174.900 -0.032 0.000 1.005 125 G CA 0.406 45.498 45.100 -0.014 0.000 0.713 125 G HN 1.162 nan 8.290 nan 0.000 0.515 126 V N -4.164 115.715 119.914 -0.057 0.000 2.962 126 V HA 0.872 4.992 4.120 -0.000 0.000 0.313 126 V C 0.003 176.050 176.094 -0.078 0.000 1.099 126 V CA -1.990 60.276 62.300 -0.056 0.000 0.971 126 V CB 2.062 33.850 31.823 -0.058 0.000 1.028 126 V HN 0.127 nan 8.190 nan 0.000 0.430 127 K N 1.658 122.024 120.400 -0.055 0.000 2.174 127 K HA 0.687 5.007 4.320 -0.000 0.000 0.275 127 K C -0.175 176.403 176.600 -0.038 0.000 1.015 127 K CA -0.047 56.206 56.287 -0.058 0.000 0.933 127 K CB 1.746 34.248 32.500 0.003 0.000 1.025 127 K HN 1.043 nan 8.250 nan 0.000 0.463 128 T N 0.585 115.107 114.554 -0.054 0.000 2.681 128 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 128 T C -1.308 173.387 174.700 -0.009 0.000 1.157 128 T CA -0.723 61.347 62.100 -0.051 0.000 1.025 128 T CB 0.385 69.153 68.868 -0.167 0.000 1.441 128 T HN 0.418 nan 8.240 nan 0.000 0.504 129 Y N 0.820 121.149 120.300 0.048 0.000 2.300 129 Y HA 0.641 5.191 4.550 -0.000 0.000 0.328 129 Y C 0.433 176.363 175.900 0.050 0.000 1.270 129 Y CA -1.273 56.857 58.100 0.050 0.000 1.352 129 Y CB -0.023 38.470 38.460 0.055 0.000 1.286 129 Y HN 0.343 nan 8.280 nan 0.000 0.536 130 N N 1.227 120.064 118.700 0.227 0.000 2.440 130 N HA 0.298 5.037 4.740 -0.000 0.000 0.265 130 N C 0.936 176.550 175.510 0.174 0.000 1.239 130 N CA 1.195 54.325 53.050 0.134 0.000 0.909 130 N CB 0.816 39.380 38.487 0.129 0.000 1.066 130 N HN 1.071 nan 8.380 nan 0.000 0.474 131 G N 0.348 109.168 108.800 0.033 0.000 2.238 131 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 131 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 131 G C 0.217 175.076 174.900 -0.068 0.000 0.996 131 G CA 0.022 45.147 45.100 0.041 0.000 0.632 131 G HN 0.868 nan 8.290 nan 0.000 0.503 132 A N 1.024 123.611 122.820 -0.388 0.000 2.425 132 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 132 A C 0.171 177.666 177.584 -0.149 0.000 1.084 132 A CA 0.267 52.039 52.037 -0.442 0.000 0.781 132 A CB 0.242 18.668 19.000 -0.956 0.000 1.019 132 A HN 0.648 nan 8.150 nan 0.000 0.490 133 I N 2.163 122.733 120.570 -0.001 0.000 2.411 133 I HA 0.397 4.567 4.170 -0.000 0.000 0.284 133 I C 1.098 177.295 176.117 0.134 0.000 1.012 133 I CA 0.601 61.917 61.300 0.027 0.000 1.119 133 I CB 0.221 38.227 38.000 0.009 0.000 1.261 133 I HN 1.138 nan 8.210 nan 0.000 0.448 134 G N 4.430 113.262 108.800 0.054 0.000 2.221 134 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.265 134 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.265 134 G C 0.364 175.401 174.900 0.229 0.000 1.041 134 G CA 0.190 45.360 45.100 0.118 0.000 0.807 134 G HN 1.194 nan 8.290 nan 0.000 0.502 135 G N -2.309 106.515 108.800 0.040 0.000 2.601 135 G HA2 0.847 4.807 3.960 -0.000 0.000 0.291 135 G HA3 0.847 4.807 3.960 -0.000 0.000 0.291 135 G C -0.654 174.049 174.900 -0.329 0.000 1.456 135 G CA 0.434 45.282 45.100 -0.420 0.000 0.804 135 G HN 1.706 nan 8.290 nan 0.000 0.499 136 V N -1.980 117.672 119.914 -0.436 0.000 2.960 136 V HA 0.854 4.974 4.120 -0.000 0.000 0.315 136 V C -0.410 175.700 176.094 0.027 0.000 1.087 136 V CA -1.222 61.011 62.300 -0.113 0.000 0.982 136 V CB 1.829 33.600 31.823 -0.087 0.000 1.039 136 V HN 0.787 nan 8.190 nan 0.000 0.437 137 Q N 2.612 122.580 119.800 0.281 0.000 2.294 137 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 137 Q C 0.023 176.076 176.000 0.087 0.000 0.955 137 Q CA 0.254 56.196 55.803 0.231 0.000 0.936 137 Q CB 0.863 29.719 28.738 0.197 0.000 1.188 137 Q HN 1.194 nan 8.270 nan 0.000 0.420 138 T N 0.006 114.587 114.554 0.045 0.000 2.929 138 T HA 0.417 4.766 4.350 -0.000 0.000 0.284 138 T C 0.949 175.658 174.700 0.015 0.000 1.014 138 T CA -0.156 61.954 62.100 0.016 0.000 1.051 138 T CB 1.401 70.265 68.868 -0.006 0.000 1.028 138 T HN 0.575 nan 8.240 nan 0.000 0.485 139 S N 1.027 116.731 115.700 0.006 0.000 2.436 139 S HA 0.117 4.587 4.470 -0.000 0.000 0.228 139 S C 2.079 176.680 174.600 0.002 0.000 1.014 139 S CA 0.498 58.699 58.200 0.001 0.000 0.950 139 S CB -0.794 62.404 63.200 -0.004 0.000 0.784 139 S HN 1.003 nan 8.310 nan 0.000 0.504 140 G N 0.572 109.373 108.800 0.001 0.000 2.683 140 G HA2 0.431 4.391 3.960 -0.000 0.000 0.213 140 G HA3 0.431 4.391 3.960 -0.000 0.000 0.213 140 G C 0.891 175.794 174.900 0.005 0.000 1.142 140 G CA 0.323 45.424 45.100 0.001 0.000 0.793 140 G HN 0.723 nan 8.290 nan 0.000 0.534 141 G N -1.248 107.558 108.800 0.010 0.000 4.399 141 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 141 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 141 G C 0.746 175.668 174.900 0.037 0.000 1.038 141 G CA 0.738 45.848 45.100 0.016 0.000 0.811 141 G HN 1.168 nan 8.290 nan 0.000 0.408 142 G N 0.502 109.330 108.800 0.046 0.000 2.569 142 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.259 142 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.259 142 G C -0.031 174.954 174.900 0.143 0.000 1.263 142 G CA -0.156 44.997 45.100 0.089 0.000 0.928 142 G HN 1.028 nan 8.290 nan 0.000 0.572 143 F N 2.141 122.119 119.950 0.047 0.000 2.578 143 F HA 0.526 5.053 4.527 -0.000 0.000 0.376 143 F C 0.628 176.459 175.800 0.052 0.000 1.085 143 F CA 0.558 58.607 58.000 0.082 0.000 1.260 143 F CB 0.906 39.966 39.000 0.100 0.000 1.095 143 F HN 0.512 nan 8.300 nan 0.000 0.573 144 Q N 6.712 126.181 119.800 -0.553 0.000 2.304 144 Q HA 0.318 4.658 4.340 -0.000 0.000 0.270 144 Q C -0.815 174.774 176.000 -0.684 0.000 1.035 144 Q CA -0.867 54.681 55.803 -0.425 0.000 0.781 144 Q CB 1.921 30.530 28.738 -0.215 0.000 1.261 144 Q HN 0.785 nan 8.270 nan 0.000 0.444 145 R N 0.410 120.637 120.500 -0.454 0.000 2.694 145 R HA 0.368 4.708 4.340 -0.000 0.000 0.268 145 R C 0.232 176.368 176.300 -0.273 0.000 1.061 145 R CA -0.214 55.662 56.100 -0.373 0.000 1.133 145 R CB 0.464 30.546 30.300 -0.363 0.000 1.020 145 R HN 0.411 nan 8.270 nan 0.000 0.475 146 V N -1.661 118.156 119.914 -0.161 0.000 2.769 146 V HA 0.359 4.479 4.120 -0.000 0.000 0.312 146 V C -0.417 175.674 176.094 -0.005 0.000 1.061 146 V CA -1.351 60.892 62.300 -0.094 0.000 0.931 146 V CB 2.098 33.872 31.823 -0.082 0.000 1.010 146 V HN 0.539 nan 8.190 nan 0.000 0.433 147 D N 2.645 123.035 120.400 -0.017 0.000 2.382 147 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 147 D C 0.572 176.897 176.300 0.042 0.000 1.146 147 D CA 0.529 54.550 54.000 0.034 0.000 0.897 147 D CB 1.666 42.467 40.800 0.001 0.000 1.197 147 D HN 1.040 nan 8.370 nan 0.000 0.432 148 T N -2.660 111.931 114.554 0.062 0.000 2.950 148 T HA 0.247 4.597 4.350 -0.000 0.000 0.288 148 T C 0.950 175.620 174.700 -0.051 0.000 1.035 148 T CA -0.880 61.203 62.100 -0.027 0.000 1.028 148 T CB 1.505 70.349 68.868 -0.039 0.000 1.109 148 T HN 0.052 nan 8.240 nan 0.000 0.514 149 V N 1.995 121.833 119.914 -0.126 0.000 2.490 149 V HA 0.001 4.120 4.120 -0.000 0.000 0.250 149 V C 2.210 178.123 176.094 -0.301 0.000 1.061 149 V CA 1.947 64.113 62.300 -0.223 0.000 1.064 149 V CB -0.894 30.750 31.823 -0.299 0.000 0.670 149 V HN 0.846 nan 8.190 nan 0.000 0.461 150 L N -0.282 120.821 121.223 -0.199 0.000 2.056 150 L HA -0.164 4.175 4.340 -0.000 0.000 0.207 150 L C 2.509 179.428 176.870 0.081 0.000 1.078 150 L CA 2.192 57.023 54.840 -0.015 0.000 0.749 150 L CB -0.322 41.922 42.059 0.309 0.000 0.901 150 L HN 0.389 nan 8.230 nan 0.000 0.433 151 E N -0.708 119.543 120.200 0.085 0.000 2.072 151 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 151 E C 2.228 178.879 176.600 0.085 0.000 0.985 151 E CA 0.760 57.226 56.400 0.110 0.000 0.801 151 E CB 0.073 29.849 29.700 0.128 0.000 0.750 151 E HN 0.328 nan 8.360 nan 0.000 0.452 152 R N 0.375 120.899 120.500 0.041 0.000 2.075 152 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 152 R C 2.175 178.520 176.300 0.075 0.000 1.126 152 R CA 1.169 57.293 56.100 0.040 0.000 0.963 152 R CB -1.011 29.289 30.300 0.001 0.000 0.858 152 R HN 0.162 nan 8.270 nan 0.000 0.435 153 A N 0.456 123.299 122.820 0.039 0.000 1.883 153 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 153 A C 2.419 180.181 177.584 0.297 0.000 1.186 153 A CA 2.179 54.294 52.037 0.131 0.000 0.624 153 A CB -0.856 18.111 19.000 -0.055 0.000 0.822 153 A HN 0.353 nan 8.150 nan 0.000 0.444 154 S N -0.500 115.328 115.700 0.214 0.000 2.370 154 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 154 S C 2.140 176.836 174.600 0.161 0.000 1.033 154 S CA 1.675 59.996 58.200 0.202 0.000 1.011 154 S CB -0.490 62.811 63.200 0.169 0.000 0.852 154 S HN 0.867 nan 8.310 nan 0.000 0.457 155 A N 0.476 123.378 122.820 0.136 0.000 2.019 155 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 155 A C 2.053 179.697 177.584 0.100 0.000 1.164 155 A CA 1.234 53.332 52.037 0.102 0.000 0.644 155 A CB -0.396 18.654 19.000 0.083 0.000 0.805 155 A HN 0.533 nan 8.150 nan 0.000 0.449 156 Q N -1.623 118.263 119.800 0.144 0.000 2.403 156 Q HA 0.206 4.545 4.340 -0.000 0.000 0.203 156 Q C 1.148 177.172 176.000 0.041 0.000 0.932 156 Q CA 0.774 56.649 55.803 0.119 0.000 0.945 156 Q CB 0.325 29.183 28.738 0.200 0.000 1.045 156 Q HN 0.979 nan 8.270 nan 0.000 0.511 157 G N -0.136 108.706 108.800 0.071 0.000 2.163 157 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.213 157 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.213 157 G C -0.321 174.562 174.900 -0.028 0.000 0.991 157 G CA -0.439 44.660 45.100 -0.001 0.000 0.653 157 G HN 0.267 nan 8.290 nan 0.000 0.518 158 Y N 1.256 121.613 120.300 0.095 0.000 2.397 158 Y HA 0.494 5.044 4.550 -0.000 0.000 0.335 158 Y C 1.181 177.174 175.900 0.154 0.000 1.213 158 Y CA 0.476 58.656 58.100 0.133 0.000 1.391 158 Y CB 0.835 39.393 38.460 0.163 0.000 1.293 158 Y HN 0.450 nan 8.280 nan 0.000 0.557 159 A N 1.940 124.965 122.820 0.340 0.000 2.351 159 A HA 0.586 4.906 4.320 -0.000 0.000 0.257 159 A C 0.060 177.835 177.584 0.318 0.000 1.087 159 A CA 0.024 52.215 52.037 0.256 0.000 0.798 159 A CB -0.016 19.104 19.000 0.201 0.000 1.033 159 A HN 0.750 nan 8.150 nan 0.000 0.488 160 T N -1.332 113.354 114.554 0.221 0.000 2.909 160 T HA 0.768 5.118 4.350 -0.000 0.000 0.299 160 T C -0.283 174.477 174.700 0.100 0.000 1.073 160 T CA -0.046 62.196 62.100 0.237 0.000 0.999 160 T CB 1.819 70.862 68.868 0.292 0.000 1.098 160 T HN 1.679 nan 8.240 nan 0.000 0.477 161 G N 1.136 109.950 108.800 0.023 0.000 2.696 161 G HA2 0.665 4.625 3.960 -0.000 0.000 0.295 161 G HA3 0.665 4.625 3.960 -0.000 0.000 0.295 161 G C -1.788 173.040 174.900 -0.120 0.000 1.398 161 G CA -1.076 43.980 45.100 -0.073 0.000 0.920 161 G HN 0.895 nan 8.290 nan 0.000 0.492 162 L N 1.083 122.243 121.223 -0.105 0.000 2.409 162 L HA 0.633 4.973 4.340 -0.000 0.000 0.272 162 L C -0.809 176.021 176.870 -0.067 0.000 0.980 162 L CA -0.685 54.091 54.840 -0.107 0.000 0.826 162 L CB 2.248 44.244 42.059 -0.105 0.000 1.268 162 L HN 0.317 nan 8.230 nan 0.000 0.407 163 I N 2.040 122.574 120.570 -0.060 0.000 2.512 163 I HA 0.519 4.688 4.170 -0.000 0.000 0.287 163 I C -0.480 175.651 176.117 0.022 0.000 1.069 163 I CA -0.184 61.104 61.300 -0.019 0.000 1.056 163 I CB 2.492 40.448 38.000 -0.073 0.000 1.229 163 I HN 0.545 nan 8.210 nan 0.000 0.429 164 T N 1.595 116.193 114.554 0.073 0.000 2.868 164 T HA 0.289 4.639 4.350 -0.000 0.000 0.306 164 T C 0.684 175.445 174.700 0.102 0.000 1.224 164 T CA -0.167 61.988 62.100 0.091 0.000 1.012 164 T CB 1.636 70.581 68.868 0.129 0.000 1.221 164 T HN 0.725 nan 8.240 nan 0.000 0.499 165 T N -0.282 114.316 114.554 0.075 0.000 3.100 165 T HA 0.196 4.546 4.350 -0.000 0.000 0.253 165 T C 1.159 175.918 174.700 0.098 0.000 1.118 165 T CA 0.689 62.832 62.100 0.073 0.000 1.058 165 T CB -0.566 68.324 68.868 0.038 0.000 0.953 165 T HN 0.799 nan 8.240 nan 0.000 0.515 166 T N -0.107 114.512 114.554 0.108 0.000 2.849 166 T HA 0.387 4.737 4.350 -0.000 0.000 0.276 166 T C -0.043 174.847 174.700 0.317 0.000 0.971 166 T CA -0.924 61.305 62.100 0.215 0.000 0.949 166 T CB 0.612 69.513 68.868 0.057 0.000 1.093 166 T HN 0.344 nan 8.240 nan 0.000 0.545 167 E N 0.013 120.464 120.200 0.419 0.000 2.653 167 E HA 0.181 4.530 4.350 -0.000 0.000 0.264 167 E C 1.308 178.100 176.600 0.320 0.000 0.949 167 E CA 0.147 56.706 56.400 0.266 0.000 0.953 167 E CB 0.233 30.061 29.700 0.213 0.000 0.925 167 E HN 0.736 nan 8.360 nan 0.000 0.475 168 A N 3.159 126.172 122.820 0.321 0.000 2.019 168 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 168 A C 1.957 179.840 177.584 0.498 0.000 1.164 168 A CA 1.802 54.081 52.037 0.403 0.000 0.644 168 A CB -0.462 18.807 19.000 0.448 0.000 0.805 168 A HN 0.705 nan 8.150 nan 0.000 0.449 169 T N -3.490 111.263 114.554 0.331 0.000 3.163 169 T HA 0.148 4.498 4.350 -0.000 0.000 0.252 169 T C 0.627 175.428 174.700 0.168 0.000 1.056 169 T CA -0.329 61.842 62.100 0.118 0.000 0.947 169 T CB -0.501 68.274 68.868 -0.154 0.000 1.016 169 T HN 0.523 nan 8.240 nan 0.000 0.554 170 H N 0.490 119.675 119.070 0.192 0.000 2.730 170 H HA 0.430 4.986 4.556 -0.000 0.000 0.376 170 H C 1.720 177.166 175.328 0.196 0.000 1.299 170 H CA 0.408 56.574 56.048 0.196 0.000 1.447 170 H CB 1.228 31.149 29.762 0.266 0.000 1.493 170 H HN 0.247 nan 8.280 nan 0.000 0.619 171 A N 2.386 125.168 122.820 -0.063 0.000 1.908 171 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 171 A C 2.421 180.128 177.584 0.205 0.000 1.181 171 A CA 2.192 54.254 52.037 0.042 0.000 0.627 171 A CB -0.922 18.068 19.000 -0.016 0.000 0.818 171 A HN 0.814 nan 8.150 nan 0.000 0.445 172 T N 0.571 115.308 114.554 0.304 0.000 2.643 172 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 172 T C -0.138 174.823 174.700 0.434 0.000 1.045 172 T CA 1.752 64.066 62.100 0.356 0.000 1.155 172 T CB -1.200 67.863 68.868 0.324 0.000 0.863 172 T HN 0.509 nan 8.240 nan 0.000 0.420 173 P HA 0.070 nan 4.420 nan 0.000 0.219 173 P C 1.415 178.993 177.300 0.462 0.000 1.150 173 P CA 1.189 64.512 63.100 0.371 0.000 0.814 173 P CB -0.189 31.682 31.700 0.285 0.000 0.787 174 A N 1.013 124.088 122.820 0.424 0.000 1.940 174 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 174 A C 2.476 180.210 177.584 0.250 0.000 1.176 174 A CA 2.146 54.406 52.037 0.372 0.000 0.631 174 A CB -1.548 17.559 19.000 0.178 0.000 0.814 174 A HN 0.238 nan 8.150 nan 0.000 0.446 175 A N -1.697 121.250 122.820 0.211 0.000 2.067 175 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 175 A C 1.741 179.272 177.584 -0.089 0.000 1.158 175 A CA 1.212 53.261 52.037 0.021 0.000 0.661 175 A CB -0.643 18.331 19.000 -0.042 0.000 0.801 175 A HN 0.477 nan 8.150 nan 0.000 0.452 176 F N -1.301 118.720 119.950 0.118 0.000 2.664 176 F HA 0.287 4.813 4.527 -0.000 0.000 0.296 176 F C 2.041 177.890 175.800 0.081 0.000 1.125 176 F CA 0.929 59.002 58.000 0.122 0.000 1.444 176 F CB 0.295 39.429 39.000 0.223 0.000 1.114 176 F HN 0.244 nan 8.300 nan 0.000 0.576 177 A N -1.112 121.847 122.820 0.231 0.000 2.671 177 A HA 0.788 5.108 4.320 -0.000 0.000 0.265 177 A C 0.378 178.069 177.584 0.178 0.000 1.148 177 A CA 0.430 52.588 52.037 0.201 0.000 0.977 177 A CB -0.261 18.819 19.000 0.133 0.000 1.242 177 A HN 0.079 nan 8.150 nan 0.000 0.591 178 A N -0.123 122.670 122.820 -0.046 0.000 2.602 178 A HA 0.738 5.058 4.320 -0.000 0.000 0.290 178 A C -1.607 175.685 177.584 -0.487 0.000 1.114 178 A CA -0.535 51.422 52.037 -0.134 0.000 0.683 178 A CB 0.862 19.882 19.000 0.034 0.000 1.281 178 A HN 0.328 nan 8.150 nan 0.000 0.416 179 H N 0.275 119.425 119.070 0.134 0.000 3.013 179 H HA 0.546 5.102 4.556 -0.000 0.000 0.326 179 H C -1.146 174.277 175.328 0.159 0.000 0.973 179 H CA -0.284 55.878 56.048 0.189 0.000 1.369 179 H CB 1.335 31.220 29.762 0.205 0.000 1.598 179 H HN 1.005 nan 8.280 nan 0.000 0.518 180 V N -0.041 119.974 119.914 0.168 0.000 3.012 180 V HA 0.315 4.435 4.120 -0.000 0.000 0.307 180 V C 0.727 176.582 176.094 -0.398 0.000 1.166 180 V CA -0.983 61.260 62.300 -0.095 0.000 0.974 180 V CB 2.680 34.448 31.823 -0.092 0.000 1.040 180 V HN 0.643 nan 8.190 nan 0.000 0.428 181 E N 0.802 120.545 120.200 -0.761 0.000 2.208 181 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 181 E C -0.043 176.440 176.600 -0.194 0.000 0.988 181 E CA 1.289 57.193 56.400 -0.827 0.000 0.828 181 E CB 0.280 29.587 29.700 -0.655 0.000 0.763 181 E HN 0.811 nan 8.360 nan 0.000 0.478 182 D N -0.522 119.786 120.400 -0.152 0.000 2.620 182 D HA 0.059 4.699 4.640 -0.000 0.000 0.252 182 D C 0.635 176.893 176.300 -0.070 0.000 1.207 182 D CA -0.477 53.489 54.000 -0.056 0.000 0.884 182 D CB 0.939 41.704 40.800 -0.058 0.000 1.262 182 D HN -0.021 nan 8.370 nan 0.000 0.552 183 R N 2.164 122.632 120.500 -0.053 0.000 2.200 183 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 183 R C 1.449 177.697 176.300 -0.088 0.000 1.127 183 R CA 1.319 57.376 56.100 -0.073 0.000 0.989 183 R CB -0.360 29.895 30.300 -0.075 0.000 0.869 183 R HN 0.310 nan 8.270 nan 0.000 0.459 184 G N 1.206 109.962 108.800 -0.072 0.000 2.679 184 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.212 184 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.212 184 G C 0.512 175.363 174.900 -0.081 0.000 1.137 184 G CA -0.185 44.871 45.100 -0.072 0.000 0.787 184 G HN 0.273 nan 8.290 nan 0.000 0.534 185 N N 1.036 119.682 118.700 -0.090 0.000 3.178 185 N HA 0.085 4.825 4.740 -0.000 0.000 0.300 185 N C 1.522 176.954 175.510 -0.130 0.000 1.242 185 N CA -0.066 52.923 53.050 -0.101 0.000 1.192 185 N CB -0.004 38.424 38.487 -0.099 0.000 1.463 185 N HN 0.362 nan 8.380 nan 0.000 0.539 186 Q N -0.921 118.798 119.800 -0.136 0.000 2.230 186 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 186 Q C 1.505 177.348 176.000 -0.262 0.000 0.963 186 Q CA 1.606 57.299 55.803 -0.183 0.000 0.866 186 Q CB 0.181 28.837 28.738 -0.136 0.000 0.931 186 Q HN 0.640 nan 8.270 nan 0.000 0.452 187 T N -1.681 112.743 114.554 -0.216 0.000 2.904 187 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 187 T C 1.667 176.228 174.700 -0.232 0.000 1.059 187 T CA 1.202 63.154 62.100 -0.246 0.000 1.137 187 T CB -0.021 68.744 68.868 -0.172 0.000 0.879 187 T HN 0.114 nan 8.240 nan 0.000 0.467 188 E N 1.546 121.640 120.200 -0.177 0.000 2.106 188 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 188 E C 1.935 178.423 176.600 -0.186 0.000 0.984 188 E CA 0.905 57.220 56.400 -0.143 0.000 0.806 188 E CB -0.735 28.908 29.700 -0.096 0.000 0.750 188 E HN 0.662 nan 8.360 nan 0.000 0.458 189 I N 0.441 120.859 120.570 -0.255 0.000 2.163 189 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 189 I C 2.373 178.106 176.117 -0.640 0.000 1.085 189 I CA 1.198 62.271 61.300 -0.379 0.000 1.347 189 I CB -0.421 37.349 38.000 -0.382 0.000 1.044 189 I HN 0.210 nan 8.210 nan 0.000 0.408 190 A N 0.527 122.948 122.820 -0.666 0.000 1.902 190 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 190 A C 2.454 179.838 177.584 -0.333 0.000 1.181 190 A CA 1.650 53.213 52.037 -0.790 0.000 0.623 190 A CB -0.650 17.619 19.000 -1.218 0.000 0.818 190 A HN 0.340 nan 8.150 nan 0.000 0.443 191 R N -0.468 119.892 120.500 -0.234 0.000 2.083 191 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 191 R C 2.351 178.658 176.300 0.012 0.000 1.137 191 R CA 1.960 58.014 56.100 -0.076 0.000 0.951 191 R CB -0.313 29.948 30.300 -0.065 0.000 0.851 191 R HN 0.708 nan 8.270 nan 0.000 0.434 192 Q N -0.962 118.838 119.800 0.000 0.000 2.119 192 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 192 Q C 1.922 178.069 176.000 0.245 0.000 0.972 192 Q CA 1.302 57.170 55.803 0.110 0.000 0.847 192 Q CB -0.117 28.686 28.738 0.107 0.000 0.903 192 Q HN 0.394 nan 8.270 nan 0.000 0.433 193 Y N 0.361 120.711 120.300 0.083 0.000 2.128 193 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 193 Y C 2.176 178.144 175.900 0.113 0.000 1.154 193 Y CA 0.637 58.811 58.100 0.123 0.000 1.149 193 Y CB -0.382 38.183 38.460 0.175 0.000 0.976 193 Y HN 0.153 nan 8.280 nan 0.000 0.505 194 I N -0.427 120.306 120.570 0.272 0.000 2.480 194 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 194 I C 1.808 178.022 176.117 0.162 0.000 1.124 194 I CA 1.082 62.470 61.300 0.148 0.000 1.444 194 I CB -0.947 37.122 38.000 0.114 0.000 1.098 194 I HN 0.264 nan 8.210 nan 0.000 0.428 195 E N -0.085 120.202 120.200 0.144 0.000 2.364 195 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 195 E C 1.471 178.150 176.600 0.132 0.000 0.990 195 E CA 0.306 56.780 56.400 0.123 0.000 0.886 195 E CB 0.590 30.343 29.700 0.088 0.000 0.866 195 E HN 0.420 nan 8.360 nan 0.000 0.493 196 E N 0.037 120.330 120.200 0.155 0.000 2.476 196 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 196 E C 2.224 178.928 176.600 0.172 0.000 0.966 196 E CA 1.356 57.848 56.400 0.153 0.000 1.114 196 E CB -0.302 29.491 29.700 0.155 0.000 1.151 196 E HN 0.169 nan 8.360 nan 0.000 0.487 197 T N -0.740 113.936 114.554 0.204 0.000 2.978 197 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 197 T C 0.673 175.489 174.700 0.192 0.000 1.063 197 T CA 0.326 62.544 62.100 0.198 0.000 1.140 197 T CB -0.140 68.856 68.868 0.213 0.000 0.886 197 T HN 0.109 nan 8.240 nan 0.000 0.470 198 Q N 1.498 121.433 119.800 0.225 0.000 2.447 198 Q HA -0.103 4.237 4.340 -0.000 0.000 0.348 198 Q C -2.436 173.710 176.000 0.244 0.000 1.421 198 Q CA -0.288 55.684 55.803 0.282 0.000 0.978 198 Q CB -1.644 27.250 28.738 0.260 0.000 1.191 198 Q HN 0.455 nan 8.270 nan 0.000 0.371 199 P HA -0.071 nan 4.420 nan 0.000 0.267 199 P C 0.413 177.814 177.300 0.168 0.000 1.200 199 P CA -0.062 63.125 63.100 0.144 0.000 0.772 199 P CB 0.546 32.275 31.700 0.049 0.000 0.855 200 D N 0.182 120.630 120.400 0.081 0.000 2.178 200 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 200 D C 0.310 176.619 176.300 0.016 0.000 0.974 200 D CA 1.443 55.441 54.000 -0.002 0.000 0.841 200 D CB 0.261 41.053 40.800 -0.012 0.000 0.953 200 D HN 0.106 nan 8.370 nan 0.000 0.478 201 V N 1.403 121.338 119.914 0.034 0.000 2.577 201 V HA 0.355 4.474 4.120 -0.000 0.000 0.303 201 V C -0.451 175.653 176.094 0.017 0.000 1.042 201 V CA -0.619 61.692 62.300 0.018 0.000 0.872 201 V CB 2.582 34.366 31.823 -0.066 0.000 0.998 201 V HN -0.101 nan 8.190 nan 0.000 0.423 202 I N 6.219 126.807 120.570 0.030 0.000 2.468 202 I HA 0.496 4.666 4.170 -0.000 0.000 0.284 202 I C -0.988 175.120 176.117 -0.014 0.000 1.038 202 I CA -0.252 61.031 61.300 -0.028 0.000 1.083 202 I CB 1.582 39.536 38.000 -0.077 0.000 1.223 202 I HN 0.307 nan 8.210 nan 0.000 0.443 203 L N 6.150 127.396 121.223 0.037 0.000 2.356 203 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 203 L C 0.278 177.254 176.870 0.176 0.000 0.996 203 L CA -0.320 54.604 54.840 0.141 0.000 0.822 203 L CB 1.864 44.040 42.059 0.195 0.000 1.256 203 L HN 0.788 nan 8.230 nan 0.000 0.413 204 G N 1.519 110.447 108.800 0.214 0.000 2.428 204 G HA2 0.541 4.501 3.960 -0.000 0.000 0.305 204 G HA3 0.541 4.501 3.960 -0.000 0.000 0.305 204 G C -1.252 173.780 174.900 0.221 0.000 1.260 204 G CA 0.026 45.265 45.100 0.231 0.000 0.853 204 G HN 0.733 nan 8.290 nan 0.000 0.480 205 G N -2.033 106.889 108.800 0.204 0.000 2.601 205 G HA2 0.620 4.580 3.960 -0.000 0.000 0.317 205 G HA3 0.620 4.580 3.960 -0.000 0.000 0.317 205 G C 0.071 175.051 174.900 0.132 0.000 1.246 205 G CA 0.438 45.631 45.100 0.156 0.000 1.012 205 G HN 1.493 nan 8.290 nan 0.000 0.494 206 Q N -1.151 118.700 119.800 0.086 0.000 2.419 206 Q HA -0.162 4.178 4.340 -0.000 0.000 0.316 206 Q C 1.246 177.341 176.000 0.157 0.000 1.434 206 Q CA 0.605 56.459 55.803 0.085 0.000 0.780 206 Q CB -0.709 28.061 28.738 0.054 0.000 1.083 206 Q HN 0.764 nan 8.270 nan 0.000 0.357 207 R N 1.268 121.826 120.500 0.096 0.000 2.127 207 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 207 R C 1.936 178.334 176.300 0.164 0.000 1.134 207 R CA 1.624 57.797 56.100 0.121 0.000 0.975 207 R CB -0.022 30.287 30.300 0.015 0.000 0.865 207 R HN 0.606 nan 8.270 nan 0.000 0.447 208 R N 0.448 120.997 120.500 0.082 0.000 2.117 208 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 208 R C 1.071 177.375 176.300 0.006 0.000 1.143 208 R CA 2.086 58.207 56.100 0.035 0.000 0.968 208 R CB -0.188 30.114 30.300 0.002 0.000 0.863 208 R HN 0.299 nan 8.270 nan 0.000 0.444 209 D N -0.440 119.950 120.400 -0.017 0.000 2.178 209 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 209 D C 1.226 177.320 176.300 -0.343 0.000 0.980 209 D CA 1.182 55.049 54.000 -0.222 0.000 0.842 209 D CB -0.138 40.435 40.800 -0.379 0.000 0.948 209 D HN 0.290 nan 8.370 nan 0.000 0.472 210 F N 0.769 120.686 119.950 -0.055 0.000 2.765 210 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 210 F C 1.880 177.652 175.800 -0.047 0.000 1.111 210 F CA 0.146 58.112 58.000 -0.056 0.000 1.359 210 F CB 0.165 39.128 39.000 -0.062 0.000 1.097 210 F HN -0.141 nan 8.300 nan 0.000 0.577 211 E N 0.577 120.823 120.200 0.077 0.000 2.489 211 E HA 0.184 4.534 4.350 -0.000 0.000 0.193 211 E C 1.056 177.656 176.600 -0.001 0.000 1.057 211 E CA -0.196 56.227 56.400 0.038 0.000 0.866 211 E CB 0.176 29.893 29.700 0.028 0.000 0.916 211 E HN 0.246 nan 8.360 nan 0.000 0.500 212 A N 1.556 124.356 122.820 -0.033 0.000 2.406 212 A HA 0.038 4.358 4.320 -0.000 0.000 0.243 212 A C -0.155 177.412 177.584 -0.028 0.000 1.082 212 A CA -0.398 51.609 52.037 -0.049 0.000 0.786 212 A CB 0.291 19.234 19.000 -0.094 0.000 1.029 212 A HN -0.053 nan 8.150 nan 0.000 0.495 213 D N 0.666 121.051 120.400 -0.025 0.000 2.455 213 D HA 0.422 5.062 4.640 -0.000 0.000 0.241 213 D C 0.619 176.912 176.300 -0.011 0.000 1.138 213 D CA 1.184 55.177 54.000 -0.013 0.000 0.877 213 D CB 0.824 41.617 40.800 -0.013 0.000 1.187 213 D HN 0.740 nan 8.370 nan 0.000 0.451 214 A N 1.864 124.686 122.820 0.003 0.000 2.287 214 A HA 0.295 4.615 4.320 -0.000 0.000 0.273 214 A C 1.428 179.018 177.584 0.010 0.000 1.091 214 A CA -0.363 51.680 52.037 0.011 0.000 0.817 214 A CB 0.571 19.586 19.000 0.026 0.000 1.069 214 A HN 0.498 nan 8.150 nan 0.000 0.492 215 S N 0.685 116.394 115.700 0.016 0.000 2.383 215 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 215 S C 1.639 176.250 174.600 0.018 0.000 1.026 215 S CA 1.411 59.621 58.200 0.015 0.000 0.981 215 S CB -0.269 62.944 63.200 0.022 0.000 0.818 215 S HN 0.913 nan 8.310 nan 0.000 0.472 216 N N 1.046 119.760 118.700 0.023 0.000 2.270 216 N HA 0.204 4.944 4.740 -0.000 0.000 0.198 216 N C 0.444 175.967 175.510 0.021 0.000 1.117 216 N CA 0.776 53.840 53.050 0.024 0.000 0.845 216 N CB 0.262 38.767 38.487 0.031 0.000 0.980 216 N HN 0.364 nan 8.380 nan 0.000 0.486 217 G N -1.159 107.652 108.800 0.019 0.000 2.576 217 G HA2 0.434 4.393 3.960 -0.000 0.000 0.686 217 G HA3 0.434 4.393 3.960 -0.000 0.000 0.686 217 G C 0.057 174.968 174.900 0.018 0.000 1.242 217 G CA -0.202 44.908 45.100 0.016 0.000 0.819 217 G HN 0.983 nan 8.290 nan 0.000 0.655 218 G N -0.683 108.126 108.800 0.015 0.000 2.698 218 G HA2 0.409 4.369 3.960 -0.000 0.000 0.233 218 G HA3 0.409 4.369 3.960 -0.000 0.000 0.233 218 G C 0.663 175.574 174.900 0.017 0.000 1.352 218 G CA 0.853 45.963 45.100 0.016 0.000 0.879 218 G HN 2.857 nan 8.290 nan 0.000 0.567 219 T N -1.672 112.894 114.554 0.021 0.000 2.881 219 T HA 0.644 4.994 4.350 -0.000 0.000 0.278 219 T C 1.905 176.629 174.700 0.040 0.000 0.982 219 T CA -0.007 62.108 62.100 0.025 0.000 0.989 219 T CB 1.277 70.162 68.868 0.030 0.000 1.058 219 T HN 0.838 nan 8.240 nan 0.000 0.529 220 L N 0.810 122.065 121.223 0.053 0.000 2.201 220 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 220 L C 2.799 179.735 176.870 0.109 0.000 1.105 220 L CA 0.527 55.421 54.840 0.091 0.000 0.775 220 L CB -0.648 41.477 42.059 0.111 0.000 0.913 220 L HN 0.580 nan 8.230 nan 0.000 0.440 221 V N -0.236 119.737 119.914 0.099 0.000 2.295 221 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 221 V C 2.153 178.261 176.094 0.023 0.000 1.049 221 V CA 1.920 64.241 62.300 0.035 0.000 1.024 221 V CB -0.506 31.327 31.823 0.017 0.000 0.648 221 V HN 0.440 nan 8.190 nan 0.000 0.447 222 D N 0.659 121.078 120.400 0.032 0.000 2.106 222 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 222 D C 2.251 178.578 176.300 0.045 0.000 0.997 222 D CA 1.892 55.912 54.000 0.033 0.000 0.834 222 D CB -0.468 40.350 40.800 0.030 0.000 0.956 222 D HN 0.447 nan 8.370 nan 0.000 0.448 223 A N 1.056 123.907 122.820 0.051 0.000 1.940 223 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 223 A C 2.326 179.962 177.584 0.087 0.000 1.176 223 A CA 2.471 54.547 52.037 0.065 0.000 0.631 223 A CB -0.693 18.345 19.000 0.064 0.000 0.814 223 A HN 0.262 nan 8.150 nan 0.000 0.446 224 A N -0.370 122.484 122.820 0.056 0.000 1.873 224 A HA -0.143 4.176 4.320 -0.000 0.000 0.215 224 A C 2.256 179.961 177.584 0.202 0.000 1.186 224 A CA 1.423 53.493 52.037 0.056 0.000 0.616 224 A CB -0.475 18.399 19.000 -0.210 0.000 0.823 224 A HN 0.527 nan 8.150 nan 0.000 0.442 225 R N -0.286 120.280 120.500 0.110 0.000 2.091 225 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 225 R C 1.567 177.924 176.300 0.095 0.000 1.136 225 R CA 1.519 57.680 56.100 0.101 0.000 0.959 225 R CB -0.508 29.824 30.300 0.054 0.000 0.856 225 R HN 0.486 nan 8.270 nan 0.000 0.437 226 D N 0.322 120.773 120.400 0.085 0.000 2.182 226 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 226 D C 0.920 177.273 176.300 0.089 0.000 0.986 226 D CA 1.288 55.332 54.000 0.073 0.000 0.847 226 D CB -0.376 40.463 40.800 0.065 0.000 0.942 226 D HN 0.310 nan 8.370 nan 0.000 0.467 227 N N -0.960 117.826 118.700 0.143 0.000 2.383 227 N HA 0.210 4.950 4.740 -0.000 0.000 0.192 227 N C 0.938 176.497 175.510 0.082 0.000 1.141 227 N CA 0.403 53.542 53.050 0.149 0.000 0.851 227 N CB 0.841 39.484 38.487 0.260 0.000 0.976 227 N HN 0.180 nan 8.380 nan 0.000 0.465 228 G N -0.278 108.565 108.800 0.072 0.000 2.175 228 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 228 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 228 G C -0.321 174.554 174.900 -0.042 0.000 0.982 228 G CA -0.458 44.636 45.100 -0.010 0.000 0.641 228 G HN 0.300 nan 8.290 nan 0.000 0.527 229 Y N 1.725 122.023 120.300 -0.004 0.000 2.511 229 Y HA 0.428 4.978 4.550 -0.000 0.000 0.332 229 Y C 1.423 177.304 175.900 -0.031 0.000 1.177 229 Y CA 0.940 59.027 58.100 -0.022 0.000 1.422 229 Y CB 0.825 39.266 38.460 -0.031 0.000 1.271 229 Y HN 0.052 nan 8.280 nan 0.000 0.550 230 T N 5.275 119.891 114.554 0.103 0.000 2.806 230 T HA 0.379 4.729 4.350 -0.000 0.000 0.290 230 T C -0.224 174.496 174.700 0.034 0.000 0.966 230 T CA -0.600 61.529 62.100 0.047 0.000 1.060 230 T CB 0.306 69.184 68.868 0.016 0.000 0.927 230 T HN 0.204 nan 8.240 nan 0.000 0.485 231 I N 2.979 123.545 120.570 -0.007 0.000 2.331 231 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 231 I C 0.439 176.509 176.117 -0.078 0.000 0.998 231 I CA -1.181 60.077 61.300 -0.071 0.000 1.267 231 I CB 0.416 38.364 38.000 -0.087 0.000 1.386 231 I HN 0.661 nan 8.210 nan 0.000 0.476 232 A N 5.461 128.199 122.820 -0.138 0.000 2.355 232 A HA 0.705 5.025 4.320 -0.000 0.000 0.317 232 A C 0.286 177.717 177.584 -0.256 0.000 1.094 232 A CA -0.424 51.557 52.037 -0.093 0.000 0.764 232 A CB 1.166 20.190 19.000 0.040 0.000 1.230 232 A HN 0.792 nan 8.150 nan 0.000 0.448 233 E N 0.451 120.600 120.200 -0.083 0.000 2.601 233 E HA 0.131 4.481 4.350 -0.000 0.000 0.219 233 E C 0.009 176.744 176.600 0.225 0.000 0.964 233 E CA 0.546 56.889 56.400 -0.095 0.000 1.050 233 E CB 1.068 30.727 29.700 -0.070 0.000 1.068 233 E HN 0.820 nan 8.360 nan 0.000 0.496 234 T N -3.895 110.869 114.554 0.350 0.000 2.841 234 T HA 0.601 4.950 4.350 -0.000 0.000 0.296 234 T C 1.015 175.852 174.700 0.229 0.000 1.166 234 T CA -0.298 61.983 62.100 0.302 0.000 1.007 234 T CB 1.672 70.619 68.868 0.132 0.000 1.253 234 T HN -0.124 nan 8.240 nan 0.000 0.511 235 A N 0.901 123.731 122.820 0.016 0.000 1.883 235 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 235 A C 2.583 180.163 177.584 -0.006 0.000 1.186 235 A CA 2.357 54.344 52.037 -0.082 0.000 0.624 235 A CB -1.590 17.346 19.000 -0.107 0.000 0.822 235 A HN 1.440 nan 8.150 nan 0.000 0.444 236 A N -0.395 122.436 122.820 0.018 0.000 1.908 236 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 236 A C 1.945 179.551 177.584 0.037 0.000 1.181 236 A CA 1.748 53.796 52.037 0.019 0.000 0.627 236 A CB -0.564 18.448 19.000 0.019 0.000 0.818 236 A HN 0.657 nan 8.150 nan 0.000 0.445 237 E N -0.948 119.294 120.200 0.070 0.000 2.106 237 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 237 E C 1.937 178.588 176.600 0.086 0.000 0.984 237 E CA 1.130 57.575 56.400 0.075 0.000 0.806 237 E CB -0.211 29.542 29.700 0.088 0.000 0.750 237 E HN 0.531 nan 8.360 nan 0.000 0.458 238 L N 1.552 122.854 121.223 0.132 0.000 2.056 238 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 238 L C 1.889 178.781 176.870 0.037 0.000 1.078 238 L CA 1.915 56.830 54.840 0.124 0.000 0.749 238 L CB -0.338 41.810 42.059 0.148 0.000 0.901 238 L HN -0.029 nan 8.230 nan 0.000 0.433 239 D N -0.344 120.062 120.400 0.011 0.000 2.144 239 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 239 D C 2.042 178.340 176.300 -0.003 0.000 0.984 239 D CA 1.339 55.333 54.000 -0.010 0.000 0.834 239 D CB 0.040 40.829 40.800 -0.018 0.000 0.955 239 D HN 0.444 nan 8.370 nan 0.000 0.465 240 A N -0.069 122.756 122.820 0.008 0.000 2.066 240 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 240 A C 1.092 178.678 177.584 0.003 0.000 1.157 240 A CA 0.206 52.246 52.037 0.005 0.000 0.670 240 A CB -0.233 18.773 19.000 0.010 0.000 0.804 240 A HN 0.111 nan 8.150 nan 0.000 0.453 241 V N 1.964 121.883 119.914 0.009 0.000 2.493 241 V HA 0.027 4.147 4.120 -0.000 0.000 0.292 241 V C 0.398 176.486 176.094 -0.010 0.000 1.016 241 V CA 1.048 63.350 62.300 0.003 0.000 1.097 241 V CB 0.562 32.391 31.823 0.010 0.000 0.947 241 V HN 0.732 nan 8.190 nan 0.000 0.479 242 D N 1.515 121.907 120.400 -0.014 0.000 2.449 242 D HA 0.174 4.814 4.640 -0.000 0.000 0.210 242 D C -0.244 176.040 176.300 -0.026 0.000 1.094 242 D CA -0.156 53.833 54.000 -0.019 0.000 0.846 242 D CB 0.467 41.258 40.800 -0.015 0.000 1.003 242 D HN 0.500 nan 8.370 nan 0.000 0.504 243 D N 0.786 121.169 120.400 -0.028 0.000 2.738 243 D HA 0.285 4.925 4.640 -0.000 0.000 0.237 243 D C -2.536 173.733 176.300 -0.051 0.000 1.123 243 D CA -1.519 52.458 54.000 -0.037 0.000 0.856 243 D CB 2.333 43.113 40.800 -0.034 0.000 1.552 243 D HN -0.086 nan 8.370 nan 0.000 0.480 244 P HA 0.367 nan 4.420 nan 0.000 0.276 244 P C -2.585 174.633 177.300 -0.137 0.000 1.252 244 P CA -1.126 61.917 63.100 -0.095 0.000 0.802 244 P CB -0.020 31.626 31.700 -0.089 0.000 1.035 245 P HA 0.299 nan 4.420 nan 0.000 0.282 245 P C -1.096 176.113 177.300 -0.152 0.000 1.259 245 P CA -0.472 62.436 63.100 -0.319 0.000 0.826 245 P CB 1.089 32.288 31.700 -0.834 0.000 1.064 246 V N 2.831 122.764 119.914 0.031 0.000 2.709 246 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 246 V C -1.373 174.850 176.094 0.215 0.000 1.062 246 V CA -0.994 61.379 62.300 0.121 0.000 0.901 246 V CB 1.789 33.634 31.823 0.036 0.000 1.003 246 V HN 0.427 nan 8.190 nan 0.000 0.425 247 L N 6.758 128.047 121.223 0.111 0.000 2.318 247 L HA 0.917 5.257 4.340 -0.000 0.000 0.277 247 L C 0.165 176.890 176.870 -0.241 0.000 1.008 247 L CA 0.240 55.002 54.840 -0.130 0.000 0.846 247 L CB 1.155 43.020 42.059 -0.324 0.000 1.220 247 L HN 0.753 nan 8.230 nan 0.000 0.423 248 G N 6.177 114.805 108.800 -0.287 0.000 2.384 248 G HA2 0.594 4.554 3.960 -0.000 0.000 0.316 248 G HA3 0.594 4.554 3.960 -0.000 0.000 0.316 248 G C -1.230 173.127 174.900 -0.904 0.000 1.160 248 G CA -0.432 44.287 45.100 -0.635 0.000 0.936 248 G HN 0.542 nan 8.290 nan 0.000 0.455 249 L N 2.744 123.361 121.223 -1.011 0.000 2.345 249 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 249 L C -0.194 176.308 176.870 -0.614 0.000 0.999 249 L CA -0.689 53.776 54.840 -0.625 0.000 0.849 249 L CB 1.359 43.197 42.059 -0.369 0.000 1.220 249 L HN 0.550 nan 8.230 nan 0.000 0.422 250 F N 0.063 120.013 119.950 -0.000 0.000 2.727 250 F HA 0.156 4.683 4.527 -0.000 0.000 0.302 250 F C 1.143 176.951 175.800 0.013 0.000 1.097 250 F CA -0.332 57.671 58.000 0.005 0.000 1.330 250 F CB 0.404 39.408 39.000 0.008 0.000 1.084 250 F HN 0.422 nan 8.300 nan 0.000 0.578 251 S N -1.508 114.257 115.700 0.107 0.000 2.546 251 S HA 0.367 4.837 4.470 -0.000 0.000 0.274 251 S C 0.332 174.951 174.600 0.031 0.000 1.121 251 S CA -0.711 57.532 58.200 0.072 0.000 0.887 251 S CB 2.256 65.500 63.200 0.074 0.000 1.094 251 S HN -0.007 nan 8.310 nan 0.000 0.474 252 Q N 1.245 121.058 119.800 0.022 0.000 2.049 252 Q HA 0.166 4.505 4.340 -0.000 0.000 0.198 252 Q C -0.103 175.902 176.000 0.009 0.000 0.971 252 Q CA 1.746 57.556 55.803 0.012 0.000 0.833 252 Q CB 0.033 28.777 28.738 0.009 0.000 0.896 252 Q HN 0.860 nan 8.270 nan 0.000 0.434 253 E N -0.944 119.253 120.200 -0.004 0.000 2.288 253 E HA 0.480 4.830 4.350 -0.000 0.000 0.268 253 E C -0.783 175.778 176.600 -0.065 0.000 0.885 253 E CA -0.271 56.111 56.400 -0.030 0.000 0.767 253 E CB 1.944 31.625 29.700 -0.033 0.000 1.220 253 E HN 0.257 nan 8.360 nan 0.000 0.427 254 S N 0.109 115.727 115.700 -0.137 0.000 3.569 254 S HA -0.210 4.260 4.470 -0.000 0.000 0.635 254 S C -0.472 173.958 174.600 -0.282 0.000 2.396 254 S CA 0.412 58.418 58.200 -0.323 0.000 2.612 254 S CB -0.698 62.340 63.200 -0.270 0.000 0.331 254 S HN 0.638 nan 8.310 nan 0.000 1.764 255 H N 0.144 119.213 119.070 -0.003 0.000 2.597 255 H HA 0.529 5.085 4.556 -0.000 0.000 0.370 255 H C 0.383 175.721 175.328 0.017 0.000 1.281 255 H CA -0.515 55.541 56.048 0.012 0.000 1.422 255 H CB 0.122 29.881 29.762 -0.005 0.000 1.524 255 H HN 0.383 nan 8.280 nan 0.000 0.607 256 L N 1.529 122.858 121.223 0.177 0.000 2.473 256 L HA -0.014 4.326 4.340 -0.000 0.000 0.268 256 L C 0.365 177.266 176.870 0.053 0.000 1.215 256 L CA 0.291 55.198 54.840 0.112 0.000 0.823 256 L CB 0.063 42.186 42.059 0.108 0.000 1.099 256 L HN 0.626 nan 8.230 nan 0.000 0.483 257 D N -0.215 120.214 120.400 0.049 0.000 2.378 257 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 257 D C -0.358 175.974 176.300 0.054 0.000 1.180 257 D CA 0.173 54.196 54.000 0.039 0.000 0.895 257 D CB 0.149 40.997 40.800 0.080 0.000 1.192 257 D HN 0.176 nan 8.370 nan 0.000 0.438 258 Y N 0.653 121.040 120.300 0.146 0.000 2.550 258 Y HA -0.101 4.449 4.550 -0.000 0.000 0.343 258 Y C 1.468 177.469 175.900 0.167 0.000 1.245 258 Y CA 0.047 58.247 58.100 0.168 0.000 1.462 258 Y CB 0.089 38.653 38.460 0.173 0.000 1.340 258 Y HN 0.425 nan 8.280 nan 0.000 0.604 259 Y N 1.357 121.817 120.300 0.267 0.000 2.102 259 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 259 Y C 1.708 177.694 175.900 0.143 0.000 1.178 259 Y CA 1.971 60.172 58.100 0.167 0.000 1.146 259 Y CB -0.494 38.065 38.460 0.165 0.000 0.968 259 Y HN 0.639 nan 8.280 nan 0.000 0.504 260 L N -0.113 121.106 121.223 -0.005 0.000 2.127 260 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 260 L C 2.030 178.842 176.870 -0.098 0.000 1.089 260 L CA 1.559 56.302 54.840 -0.161 0.000 0.757 260 L CB -0.584 41.461 42.059 -0.024 0.000 0.899 260 L HN 0.275 nan 8.230 nan 0.000 0.434 261 D N -0.300 120.113 120.400 0.022 0.000 2.137 261 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 261 D C 2.314 178.619 176.300 0.007 0.000 0.970 261 D CA 0.794 54.815 54.000 0.035 0.000 0.837 261 D CB -0.103 40.760 40.800 0.105 0.000 0.981 261 D HN 0.231 nan 8.370 nan 0.000 0.475 262 R N 0.772 121.280 120.500 0.013 0.000 2.091 262 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 262 R C 2.168 178.431 176.300 -0.062 0.000 1.136 262 R CA 0.903 56.998 56.100 -0.008 0.000 0.959 262 R CB 0.018 30.332 30.300 0.025 0.000 0.856 262 R HN 0.056 nan 8.270 nan 0.000 0.437 263 K N 0.319 120.622 120.400 -0.162 0.000 2.097 263 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 263 K C 1.185 177.723 176.600 -0.103 0.000 1.050 263 K CA 1.392 57.569 56.287 -0.183 0.000 0.938 263 K CB -0.063 32.205 32.500 -0.387 0.000 0.718 263 K HN 0.263 nan 8.250 nan 0.000 0.442 264 N N 0.167 118.818 118.700 -0.082 0.000 2.227 264 N HA -0.053 4.687 4.740 -0.000 0.000 0.196 264 N C -0.412 175.102 175.510 0.006 0.000 1.142 264 N CA -0.115 52.916 53.050 -0.032 0.000 0.887 264 N CB 0.573 39.049 38.487 -0.018 0.000 1.022 264 N HN 0.019 nan 8.380 nan 0.000 0.500 265 D N 1.396 121.798 120.400 0.003 0.000 2.313 265 D HA 0.110 4.750 4.640 -0.000 0.000 0.239 265 D C -1.585 174.723 176.300 0.013 0.000 1.142 265 D CA -2.352 51.659 54.000 0.019 0.000 0.847 265 D CB 1.404 42.214 40.800 0.016 0.000 1.082 265 D HN 0.036 nan 8.370 nan 0.000 0.480 266 P HA -0.065 nan 4.420 nan 0.000 0.223 266 P C 0.544 177.850 177.300 0.011 0.000 1.151 266 P CA 0.707 63.813 63.100 0.011 0.000 0.787 266 P CB 0.388 32.095 31.700 0.013 0.000 0.788 267 E N -0.547 119.662 120.200 0.015 0.000 2.516 267 E HA -0.021 4.329 4.350 -0.000 0.000 0.199 267 E C 0.908 177.518 176.600 0.018 0.000 1.069 267 E CA -0.148 56.262 56.400 0.016 0.000 0.876 267 E CB -0.218 29.492 29.700 0.018 0.000 0.843 267 E HN 0.260 nan 8.360 nan 0.000 0.530 268 N N 0.966 119.675 118.700 0.015 0.000 2.520 268 N HA -0.011 4.728 4.740 -0.000 0.000 0.273 268 N C 0.402 175.920 175.510 0.013 0.000 1.155 268 N CA 0.512 53.572 53.050 0.017 0.000 0.967 268 N CB 1.165 39.661 38.487 0.014 0.000 1.092 268 N HN -0.033 nan 8.380 nan 0.000 0.457 269 T N -0.542 114.026 114.554 0.024 0.000 3.084 269 T HA 0.162 4.512 4.350 -0.000 0.000 0.270 269 T C 0.429 175.137 174.700 0.014 0.000 1.008 269 T CA -0.235 61.880 62.100 0.025 0.000 0.900 269 T CB 0.242 69.138 68.868 0.048 0.000 1.084 269 T HN 0.467 nan 8.240 nan 0.000 0.538 270 Q N 2.985 122.783 119.800 -0.003 0.000 2.293 270 Q HA 0.388 4.728 4.340 -0.000 0.000 0.251 270 Q C -2.491 173.403 176.000 -0.176 0.000 0.930 270 Q CA -2.321 53.439 55.803 -0.072 0.000 0.893 270 Q CB 0.883 29.616 28.738 -0.008 0.000 1.215 270 Q HN 0.258 nan 8.270 nan 0.000 0.425 271 P HA 0.013 nan 4.420 nan 0.000 0.274 271 P C -0.850 176.324 177.300 -0.210 0.000 1.231 271 P CA -0.255 62.648 63.100 -0.329 0.000 0.790 271 P CB 0.726 32.102 31.700 -0.541 0.000 0.951 272 N N 1.111 119.742 118.700 -0.116 0.000 2.408 272 N HA 0.053 4.792 4.740 -0.000 0.000 0.260 272 N C 1.191 176.658 175.510 -0.072 0.000 1.242 272 N CA -0.549 52.479 53.050 -0.036 0.000 0.959 272 N CB 0.123 38.634 38.487 0.041 0.000 1.201 272 N HN 0.288 nan 8.380 nan 0.000 0.511 273 L N 1.421 122.623 121.223 -0.035 0.000 2.083 273 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 273 L C 1.743 178.540 176.870 -0.121 0.000 1.083 273 L CA 1.836 56.632 54.840 -0.074 0.000 0.752 273 L CB -0.820 41.209 42.059 -0.050 0.000 0.899 273 L HN 0.648 nan 8.230 nan 0.000 0.433 274 D N -0.557 119.775 120.400 -0.113 0.000 2.117 274 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 274 D C 1.921 178.139 176.300 -0.136 0.000 0.987 274 D CA 1.500 55.417 54.000 -0.139 0.000 0.829 274 D CB -0.634 40.096 40.800 -0.116 0.000 0.961 274 D HN 0.365 nan 8.370 nan 0.000 0.460 275 A N 0.488 123.236 122.820 -0.120 0.000 1.898 275 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 275 A C 2.507 180.001 177.584 -0.150 0.000 1.181 275 A CA 1.523 53.483 52.037 -0.128 0.000 0.620 275 A CB -0.628 18.297 19.000 -0.124 0.000 0.819 275 A HN 0.212 nan 8.150 nan 0.000 0.442 276 M N -0.728 118.773 119.600 -0.164 0.000 2.117 276 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 276 M C 2.118 178.323 176.300 -0.157 0.000 1.065 276 M CA 1.318 56.526 55.300 -0.152 0.000 1.114 276 M CB -0.439 32.080 32.600 -0.136 0.000 1.361 276 M HN 0.267 nan 8.290 nan 0.000 0.408 277 V N 0.555 120.359 119.914 -0.183 0.000 2.307 277 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 277 V C 1.928 177.869 176.094 -0.256 0.000 1.045 277 V CA 2.310 64.468 62.300 -0.236 0.000 1.024 277 V CB -0.725 30.937 31.823 -0.268 0.000 0.651 277 V HN 0.466 nan 8.190 nan 0.000 0.449 278 D N 0.338 120.611 120.400 -0.212 0.000 2.104 278 D HA -0.187 4.452 4.640 -0.000 0.000 0.194 278 D C 2.095 178.281 176.300 -0.189 0.000 0.994 278 D CA 1.775 55.657 54.000 -0.196 0.000 0.830 278 D CB -0.171 40.544 40.800 -0.142 0.000 0.959 278 D HN 0.373 nan 8.370 nan 0.000 0.452 279 A N -0.072 122.653 122.820 -0.158 0.000 1.877 279 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 279 A C 2.407 179.890 177.584 -0.168 0.000 1.186 279 A CA 2.042 54.000 52.037 -0.132 0.000 0.620 279 A CB -1.349 17.597 19.000 -0.090 0.000 0.822 279 A HN 0.378 nan 8.150 nan 0.000 0.443 280 G N -0.803 107.876 108.800 -0.202 0.000 2.402 280 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 280 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 280 G C 1.497 176.156 174.900 -0.401 0.000 1.162 280 G CA 1.205 46.153 45.100 -0.253 0.000 0.777 280 G HN 0.313 nan 8.290 nan 0.000 0.539 281 V N 1.071 120.703 119.914 -0.471 0.000 2.453 281 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 281 V C 2.542 178.355 176.094 -0.469 0.000 1.048 281 V CA 2.038 63.925 62.300 -0.689 0.000 1.049 281 V CB -0.187 31.171 31.823 -0.775 0.000 0.672 281 V HN 0.354 nan 8.190 nan 0.000 0.457 282 D N 0.346 120.568 120.400 -0.296 0.000 2.097 282 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 282 D C 2.043 178.254 176.300 -0.149 0.000 0.989 282 D CA 1.519 55.419 54.000 -0.167 0.000 0.827 282 D CB -0.168 40.564 40.800 -0.114 0.000 0.966 282 D HN 0.384 nan 8.370 nan 0.000 0.456 283 L N -0.162 120.958 121.223 -0.171 0.000 2.083 283 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 283 L C 2.662 179.439 176.870 -0.155 0.000 1.083 283 L CA 0.632 55.389 54.840 -0.137 0.000 0.752 283 L CB -0.264 41.721 42.059 -0.124 0.000 0.899 283 L HN 0.100 nan 8.230 nan 0.000 0.433 284 L N -1.042 120.012 121.223 -0.282 0.000 2.179 284 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 284 L C 1.728 178.540 176.870 -0.097 0.000 1.096 284 L CA 0.186 54.851 54.840 -0.292 0.000 0.779 284 L CB -0.356 41.262 42.059 -0.734 0.000 0.922 284 L HN 0.318 nan 8.230 nan 0.000 0.443 289 D N -0.630 119.798 120.400 0.047 0.000 2.533 289 D HA 0.544 5.184 4.640 -0.000 0.000 0.247 289 D C -1.475 174.832 176.300 0.011 0.000 1.056 289 D CA -1.264 52.742 54.000 0.010 0.000 1.054 289 D CB 2.206 42.988 40.800 -0.031 0.000 1.400 289 D HN 0.047 nan 8.370 nan 0.000 0.533 290 P HA -0.060 nan 4.420 nan 0.000 0.215 290 P C 0.370 177.669 177.300 -0.001 0.000 1.157 290 P CA 1.298 64.400 63.100 0.004 0.000 0.868 290 P CB 0.437 32.136 31.700 -0.002 0.000 0.788 291 D N -1.647 118.738 120.400 -0.024 0.000 2.324 291 D HA 0.013 4.653 4.640 -0.000 0.000 0.212 291 D C 0.400 176.653 176.300 -0.079 0.000 0.984 291 D CA 0.877 54.862 54.000 -0.025 0.000 0.885 291 D CB 0.002 40.783 40.800 -0.030 0.000 0.996 291 D HN 0.051 nan 8.370 nan 0.000 0.505 292 K N 1.482 121.763 120.400 -0.198 0.000 2.357 292 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 292 K C 0.617 177.125 176.600 -0.153 0.000 1.069 292 K CA -0.327 55.659 56.287 -0.501 0.000 0.994 292 K CB 1.323 33.463 32.500 -0.600 0.000 1.411 292 K HN -0.030 nan 8.250 nan 0.000 0.450 293 G N 1.816 110.673 108.800 0.093 0.000 3.199 293 G HA2 0.355 4.315 3.960 -0.000 0.000 0.184 293 G HA3 0.355 4.315 3.960 -0.000 0.000 0.184 293 G C -0.323 174.829 174.900 0.421 0.000 1.974 293 G CA -0.036 45.187 45.100 0.206 0.000 0.885 293 G HN 0.452 nan 8.290 nan 0.000 0.575 294 F N -2.192 117.966 119.950 0.347 0.000 2.599 294 F HA 0.763 5.290 4.527 -0.000 0.000 0.311 294 F C -1.507 174.432 175.800 0.231 0.000 1.076 294 F CA -2.399 55.773 58.000 0.285 0.000 0.937 294 F CB 1.693 40.768 39.000 0.125 0.000 1.282 294 F HN 0.315 nan 8.300 nan 0.000 0.460 295 F N 4.191 124.318 119.950 0.295 0.000 2.436 295 F HA 0.790 5.317 4.527 -0.000 0.000 0.340 295 F C -1.768 174.200 175.800 0.279 0.000 1.113 295 F CA -1.376 56.724 58.000 0.166 0.000 1.022 295 F CB 1.616 40.633 39.000 0.028 0.000 1.128 295 F HN 0.690 nan 8.300 nan 0.000 0.466 296 L N 7.932 128.602 121.223 -0.923 0.000 2.410 296 L HA 0.513 4.853 4.340 -0.000 0.000 0.270 296 L C -2.230 174.017 176.870 -1.039 0.000 0.983 296 L CA -0.742 53.667 54.840 -0.718 0.000 0.822 296 L CB 1.841 43.780 42.059 -0.199 0.000 1.285 296 L HN 0.658 nan 8.230 nan 0.000 0.409 297 L N 6.770 127.523 121.223 -0.784 0.000 2.265 297 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 297 L C -1.369 175.333 176.870 -0.281 0.000 1.033 297 L CA -0.337 54.166 54.840 -0.562 0.000 0.814 297 L CB 1.405 43.048 42.059 -0.692 0.000 1.203 297 L HN 0.501 nan 8.230 nan 0.000 0.423 298 V N 5.543 125.372 119.914 -0.142 0.000 2.459 298 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 298 V C -0.142 176.046 176.094 0.156 0.000 1.029 298 V CA -0.702 61.589 62.300 -0.014 0.000 0.874 298 V CB 1.945 33.733 31.823 -0.059 0.000 0.985 298 V HN 0.796 nan 8.190 nan 0.000 0.438 299 E N 2.509 122.784 120.200 0.125 0.000 2.246 299 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 299 E C -1.066 175.609 176.600 0.126 0.000 0.880 299 E CA -0.386 56.083 56.400 0.116 0.000 0.762 299 E CB 1.891 31.639 29.700 0.080 0.000 1.180 299 E HN 0.614 nan 8.360 nan 0.000 0.416 300 S N 2.873 118.637 115.700 0.108 0.000 2.415 300 S HA 0.380 4.850 4.470 -0.000 0.000 0.313 300 S C 0.583 175.157 174.600 -0.043 0.000 1.067 300 S CA 0.052 58.286 58.200 0.056 0.000 1.099 300 S CB 0.388 63.635 63.200 0.077 0.000 0.991 300 S HN 0.649 nan 8.310 nan 0.000 0.491 301 G N 4.080 112.831 108.800 -0.082 0.000 2.986 301 G HA2 0.082 4.042 3.960 -0.000 0.000 0.213 301 G HA3 0.082 4.042 3.960 -0.000 0.000 0.213 301 G C 1.281 175.910 174.900 -0.452 0.000 1.156 301 G CA -0.268 44.711 45.100 -0.202 0.000 0.763 301 G HN 0.589 nan 8.290 nan 0.000 0.547 302 R N 0.346 120.660 120.500 -0.310 0.000 2.334 302 R HA 0.191 4.531 4.340 -0.000 0.000 0.216 302 R C 2.055 178.356 176.300 0.001 0.000 0.905 302 R CA -0.028 55.876 56.100 -0.326 0.000 1.064 302 R CB 0.012 30.245 30.300 -0.112 0.000 1.046 302 R HN 0.276 nan 8.270 nan 0.000 0.508 303 V N 1.471 121.382 119.914 -0.004 0.000 2.332 303 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 303 V C 2.063 178.190 176.094 0.055 0.000 1.055 303 V CA 2.355 64.692 62.300 0.061 0.000 1.038 303 V CB -0.476 31.358 31.823 0.020 0.000 0.651 303 V HN 0.272 nan 8.190 nan 0.000 0.450 304 D N -0.698 119.690 120.400 -0.020 0.000 2.104 304 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 304 D C 1.970 178.422 176.300 0.253 0.000 0.994 304 D CA 2.009 56.052 54.000 0.071 0.000 0.830 304 D CB -0.204 40.659 40.800 0.105 0.000 0.959 304 D HN 0.710 nan 8.370 nan 0.000 0.452 305 H N -0.782 118.399 119.070 0.185 0.000 2.357 305 H HA 0.030 4.586 4.556 -0.000 0.000 0.301 305 H C 2.121 177.550 175.328 0.168 0.000 1.082 305 H CA 0.659 56.829 56.048 0.204 0.000 1.342 305 H CB 0.009 29.821 29.762 0.083 0.000 1.389 305 H HN 0.227 nan 8.280 nan 0.000 0.511 306 A N 0.985 124.007 122.820 0.337 0.000 1.933 306 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 306 A C 2.652 180.188 177.584 -0.079 0.000 1.175 306 A CA 1.455 53.547 52.037 0.092 0.000 0.628 306 A CB -1.160 17.919 19.000 0.132 0.000 0.814 306 A HN 0.506 nan 8.150 nan 0.000 0.444 307 G N -1.330 107.468 108.800 -0.004 0.000 2.421 307 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 307 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 307 G C 1.514 176.280 174.900 -0.224 0.000 1.171 307 G CA 1.068 46.110 45.100 -0.096 0.000 0.775 307 G HN 0.659 nan 8.290 nan 0.000 0.543 308 H N 0.677 119.722 119.070 -0.041 0.000 2.387 308 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 308 H C 2.793 177.990 175.328 -0.217 0.000 1.090 308 H CA 1.258 57.265 56.048 -0.069 0.000 1.332 308 H CB -0.166 29.599 29.762 0.005 0.000 1.386 308 H HN 0.407 nan 8.280 nan 0.000 0.516 309 A N 0.457 123.123 122.820 -0.256 0.000 2.208 309 A HA -0.039 4.281 4.320 -0.000 0.000 0.209 309 A C 0.458 177.727 177.584 -0.525 0.000 1.161 309 A CA 0.096 51.805 52.037 -0.546 0.000 0.782 309 A CB 0.019 18.263 19.000 -1.260 0.000 0.816 309 A HN 0.411 nan 8.150 nan 0.000 0.477 310 N N -0.799 117.507 118.700 -0.656 0.000 2.714 310 N HA -0.155 4.585 4.740 -0.000 0.000 0.253 310 N C -1.276 173.928 175.510 -0.511 0.000 1.024 310 N CA 0.854 53.195 53.050 -1.183 0.000 0.726 310 N CB -1.778 36.290 38.487 -0.698 0.000 0.908 310 N HN 0.448 nan 8.380 nan 0.000 0.542 311 Y N -0.604 119.443 120.300 -0.421 0.000 2.326 311 Y HA 0.270 4.820 4.550 -0.000 0.000 0.337 311 Y C -1.209 174.723 175.900 0.053 0.000 1.023 311 Y CA -2.537 55.476 58.100 -0.145 0.000 1.143 311 Y CB 0.682 39.030 38.460 -0.188 0.000 1.183 311 Y HN -0.029 nan 8.280 nan 0.000 0.485 312 P HA -0.139 nan 4.420 nan 0.000 0.223 312 P C 1.026 178.414 177.300 0.148 0.000 1.144 312 P CA 1.662 64.902 63.100 0.233 0.000 0.783 312 P CB 0.302 32.064 31.700 0.104 0.000 0.771 313 A N -0.372 122.496 122.820 0.079 0.000 2.216 313 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 313 A C 2.269 179.910 177.584 0.095 0.000 1.160 313 A CA 0.891 52.949 52.037 0.034 0.000 0.725 313 A CB -1.137 17.797 19.000 -0.109 0.000 0.784 313 A HN 0.201 nan 8.150 nan 0.000 0.472 314 Q N -0.085 119.811 119.800 0.160 0.000 2.135 314 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 314 Q C 1.785 177.891 176.000 0.176 0.000 0.981 314 Q CA 2.087 58.003 55.803 0.189 0.000 0.856 314 Q CB -0.244 28.659 28.738 0.276 0.000 0.902 314 Q HN 0.470 nan 8.270 nan 0.000 0.425 315 V N 0.818 120.833 119.914 0.169 0.000 2.295 315 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 315 V C 2.379 178.585 176.094 0.186 0.000 1.049 315 V CA 1.828 64.227 62.300 0.166 0.000 1.024 315 V CB -1.158 30.756 31.823 0.152 0.000 0.648 315 V HN 0.511 nan 8.190 nan 0.000 0.447 316 A N -0.231 122.697 122.820 0.180 0.000 1.933 316 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 316 A C 2.181 179.928 177.584 0.271 0.000 1.175 316 A CA 1.980 54.166 52.037 0.250 0.000 0.628 316 A CB -0.489 18.677 19.000 0.277 0.000 0.814 316 A HN 0.551 nan 8.150 nan 0.000 0.444 317 E N -0.460 119.879 120.200 0.231 0.000 2.077 317 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 317 E C 2.138 178.785 176.600 0.078 0.000 0.989 317 E CA 1.659 58.166 56.400 0.178 0.000 0.800 317 E CB -0.210 29.625 29.700 0.227 0.000 0.746 317 E HN 0.610 nan 8.360 nan 0.000 0.452 318 Q N -1.038 118.833 119.800 0.119 0.000 2.167 318 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 318 Q C 1.847 177.904 176.000 0.095 0.000 0.970 318 Q CA 1.543 57.410 55.803 0.106 0.000 0.855 318 Q CB -0.585 28.235 28.738 0.135 0.000 0.911 318 Q HN 0.537 nan 8.270 nan 0.000 0.438 319 Y N 0.928 121.216 120.300 -0.019 0.000 2.128 319 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 319 Y C 2.100 177.881 175.900 -0.199 0.000 1.154 319 Y CA 2.355 60.420 58.100 -0.059 0.000 1.149 319 Y CB -0.248 38.210 38.460 -0.003 0.000 0.976 319 Y HN 0.338 nan 8.280 nan 0.000 0.505 320 E N 0.088 120.047 120.200 -0.401 0.000 2.077 320 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 320 E C 2.259 178.658 176.600 -0.336 0.000 0.989 320 E CA 1.117 57.139 56.400 -0.630 0.000 0.800 320 E CB -0.344 28.760 29.700 -0.994 0.000 0.746 320 E HN 0.583 nan 8.360 nan 0.000 0.452 321 A N 0.253 122.974 122.820 -0.165 0.000 1.902 321 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 321 A C 2.370 179.907 177.584 -0.079 0.000 1.181 321 A CA 2.009 54.045 52.037 -0.002 0.000 0.623 321 A CB -0.856 18.177 19.000 0.056 0.000 0.818 321 A HN 0.330 nan 8.150 nan 0.000 0.443 322 T N -0.128 114.317 114.554 -0.182 0.000 2.857 322 T HA -0.130 4.219 4.350 -0.000 0.000 0.266 322 T C 2.044 176.470 174.700 -0.457 0.000 1.048 322 T CA 1.502 63.365 62.100 -0.395 0.000 1.139 322 T CB -0.230 68.540 68.868 -0.163 0.000 0.874 322 T HN 0.596 nan 8.240 nan 0.000 0.455 323 Q N 0.344 119.890 119.800 -0.423 0.000 2.096 323 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 323 Q C 2.520 178.316 176.000 -0.341 0.000 0.982 323 Q CA 1.266 56.831 55.803 -0.397 0.000 0.850 323 Q CB -0.416 28.056 28.738 -0.443 0.000 0.901 323 Q HN 0.351 nan 8.270 nan 0.000 0.422 324 V N 0.898 120.616 119.914 -0.326 0.000 2.407 324 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 324 V C 2.292 178.107 176.094 -0.465 0.000 1.055 324 V CA 1.629 63.707 62.300 -0.370 0.000 1.049 324 V CB -1.008 30.595 31.823 -0.366 0.000 0.662 324 V HN 0.395 nan 8.190 nan 0.000 0.455 325 A N 0.723 123.294 122.820 -0.415 0.000 1.892 325 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 325 A C 2.434 179.844 177.584 -0.290 0.000 1.188 325 A CA 2.243 54.071 52.037 -0.348 0.000 0.631 325 A CB -1.302 17.116 19.000 -0.970 0.000 0.822 325 A HN 0.536 nan 8.150 nan 0.000 0.447 326 G N -1.109 107.486 108.800 -0.341 0.000 2.418 326 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 326 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 326 G C 1.613 176.356 174.900 -0.262 0.000 1.158 326 G CA 1.091 46.022 45.100 -0.281 0.000 0.771 326 G HN 0.677 nan 8.290 nan 0.000 0.545 327 Q N -0.197 119.449 119.800 -0.256 0.000 2.135 327 Q HA -0.044 4.295 4.340 -0.000 0.000 0.204 327 Q C 2.456 178.340 176.000 -0.193 0.000 0.981 327 Q CA 1.052 56.728 55.803 -0.212 0.000 0.856 327 Q CB -0.207 28.397 28.738 -0.223 0.000 0.902 327 Q HN 0.514 nan 8.270 nan 0.000 0.425 328 L N -0.313 120.756 121.223 -0.258 0.000 2.072 328 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 328 L C 2.413 179.144 176.870 -0.232 0.000 1.079 328 L CA 0.506 55.221 54.840 -0.209 0.000 0.752 328 L CB -0.265 41.638 42.059 -0.260 0.000 0.906 328 L HN 0.112 nan 8.230 nan 0.000 0.436 329 V N -0.004 119.655 119.914 -0.425 0.000 2.343 329 V HA -0.291 3.828 4.120 -0.000 0.000 0.247 329 V C 2.335 178.220 176.094 -0.347 0.000 1.051 329 V CA 1.869 63.816 62.300 -0.588 0.000 1.036 329 V CB -0.506 30.821 31.823 -0.827 0.000 0.654 329 V HN 0.447 nan 8.190 nan 0.000 0.451 330 E N -0.970 119.088 120.200 -0.236 0.000 2.085 330 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 330 E C 2.078 178.626 176.600 -0.087 0.000 0.994 330 E CA 1.808 58.121 56.400 -0.146 0.000 0.801 330 E CB -0.296 29.335 29.700 -0.114 0.000 0.743 330 E HN 0.759 nan 8.360 nan 0.000 0.453 331 Y N 1.034 121.243 120.300 -0.151 0.000 2.133 331 Y HA -0.184 4.366 4.550 -0.000 0.000 0.287 331 Y C 2.208 178.066 175.900 -0.070 0.000 1.134 331 Y CA 1.415 59.458 58.100 -0.094 0.000 1.133 331 Y CB -0.583 37.830 38.460 -0.079 0.000 0.987 331 Y HN -0.002 nan 8.280 nan 0.000 0.502 332 A N 0.288 122.998 122.820 -0.183 0.000 1.948 332 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 332 A C 2.031 179.499 177.584 -0.194 0.000 1.177 332 A CA 2.117 54.032 52.037 -0.203 0.000 0.636 332 A CB -0.749 18.208 19.000 -0.072 0.000 0.815 332 A HN 0.681 nan 8.150 nan 0.000 0.449 333 E N -1.370 118.735 120.200 -0.159 0.000 2.358 333 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 333 E C 1.573 178.090 176.600 -0.139 0.000 1.010 333 E CA 1.085 57.425 56.400 -0.100 0.000 0.856 333 E CB -0.036 29.624 29.700 -0.066 0.000 0.795 333 E HN 0.568 nan 8.360 nan 0.000 0.504 334 T N 0.475 114.899 114.554 -0.217 0.000 3.054 334 T HA -0.045 4.305 4.350 -0.000 0.000 0.259 334 T C 0.945 175.514 174.700 -0.219 0.000 1.092 334 T CA 0.773 62.756 62.100 -0.195 0.000 1.121 334 T CB 0.033 68.790 68.868 -0.185 0.000 0.912 334 T HN 0.298 nan 8.240 nan 0.000 0.489 335 T N 0.430 114.791 114.554 -0.321 0.000 2.919 335 T HA 0.529 4.878 4.350 -0.000 0.000 0.302 335 T C 1.598 176.221 174.700 -0.129 0.000 1.031 335 T CA -0.066 61.879 62.100 -0.259 0.000 1.127 335 T CB 1.362 70.040 68.868 -0.316 0.000 0.952 335 T HN 0.071 nan 8.240 nan 0.000 0.540 336 A N 2.317 125.090 122.820 -0.077 0.000 1.933 336 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 336 A C 1.222 178.784 177.584 -0.037 0.000 1.175 336 A CA 0.893 52.903 52.037 -0.045 0.000 0.628 336 A CB -0.301 18.686 19.000 -0.023 0.000 0.814 336 A HN 0.859 nan 8.150 nan 0.000 0.444 337 E N -0.618 119.560 120.200 -0.037 0.000 2.235 337 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 337 E C -2.809 173.771 176.600 -0.033 0.000 0.940 337 E CA -2.504 53.882 56.400 -0.022 0.000 0.819 337 E CB 0.649 30.346 29.700 -0.005 0.000 1.206 337 E HN 0.037 nan 8.360 nan 0.000 0.409 338 P HA 0.118 nan 4.420 nan 0.000 0.271 338 P C -0.691 176.608 177.300 -0.001 0.000 1.218 338 P CA 0.031 63.126 63.100 -0.008 0.000 0.780 338 P CB 0.508 32.219 31.700 0.018 0.000 0.901 339 T N 3.032 117.584 114.554 -0.004 0.000 2.792 339 T HA 0.445 4.795 4.350 -0.000 0.000 0.280 339 T C -0.952 173.806 174.700 0.097 0.000 0.990 339 T CA -0.174 61.932 62.100 0.009 0.000 0.960 339 T CB 0.188 69.028 68.868 -0.048 0.000 0.939 339 T HN 0.149 nan 8.240 nan 0.000 0.439 340 F N 4.741 124.689 119.950 -0.004 0.000 2.415 340 F HA 0.692 5.219 4.527 -0.000 0.000 0.348 340 F C -1.222 174.621 175.800 0.071 0.000 1.119 340 F CA -1.131 56.894 58.000 0.043 0.000 1.069 340 F CB 0.519 39.552 39.000 0.055 0.000 1.124 340 F HN 0.351 nan 8.300 nan 0.000 0.472 341 L N 7.534 128.389 121.223 -0.614 0.000 2.365 341 L HA 0.712 5.052 4.340 -0.000 0.000 0.273 341 L C -1.172 175.374 176.870 -0.540 0.000 1.000 341 L CA -1.214 53.406 54.840 -0.366 0.000 0.819 341 L CB 1.833 43.799 42.059 -0.156 0.000 1.284 341 L HN 0.458 nan 8.230 nan 0.000 0.418 342 V N 2.056 121.814 119.914 -0.260 0.000 2.638 342 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 342 V C -0.898 175.157 176.094 -0.065 0.000 1.052 342 V CA -0.002 62.151 62.300 -0.245 0.000 0.885 342 V CB 2.309 33.953 31.823 -0.298 0.000 0.999 342 V HN 0.822 nan 8.190 nan 0.000 0.424 343 S N 4.278 119.914 115.700 -0.106 0.000 2.541 343 S HA 0.886 5.356 4.470 -0.000 0.000 0.280 343 S C -0.724 173.774 174.600 -0.170 0.000 1.112 343 S CA 0.174 58.328 58.200 -0.076 0.000 0.925 343 S CB 1.954 65.203 63.200 0.082 0.000 1.067 343 S HN 1.252 nan 8.310 nan 0.000 0.479 344 T N 1.831 116.235 114.554 -0.250 0.000 2.700 344 T HA 0.632 4.982 4.350 -0.000 0.000 0.307 344 T C -0.403 174.164 174.700 -0.223 0.000 1.580 344 T CA -0.018 61.936 62.100 -0.244 0.000 0.992 344 T CB 0.857 69.573 68.868 -0.253 0.000 1.577 344 T HN 0.977 nan 8.240 nan 0.000 0.496 345 G N 0.555 109.267 108.800 -0.146 0.000 2.412 345 G HA2 0.475 4.435 3.960 -0.000 0.000 0.318 345 G HA3 0.475 4.435 3.960 -0.000 0.000 0.318 345 G C 0.698 175.617 174.900 0.032 0.000 1.146 345 G CA -0.122 44.903 45.100 -0.124 0.000 0.882 345 G HN 0.771 nan 8.290 nan 0.000 0.501 346 D N -0.618 119.781 120.400 -0.002 0.000 2.234 346 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 346 D C 0.741 177.023 176.300 -0.031 0.000 0.962 346 D CA 1.291 55.366 54.000 0.126 0.000 0.855 346 D CB -0.121 40.759 40.800 0.133 0.000 0.951 346 D HN 0.694 nan 8.370 nan 0.000 0.500 347 H N -3.854 115.198 119.070 -0.030 0.000 2.868 347 H HA 0.427 4.983 4.556 -0.000 0.000 0.278 347 H C -1.280 173.991 175.328 -0.094 0.000 1.454 347 H CA -1.080 54.926 56.048 -0.069 0.000 1.145 347 H CB 0.441 30.125 29.762 -0.130 0.000 1.808 347 H HN -0.146 nan 8.280 nan 0.000 0.500 348 E N 0.657 120.915 120.200 0.096 0.000 2.277 348 E HA 0.439 4.789 4.350 -0.000 0.000 0.274 348 E C -1.109 175.602 176.600 0.184 0.000 1.022 348 E CA -0.585 55.855 56.400 0.067 0.000 0.853 348 E CB 1.756 31.496 29.700 0.067 0.000 1.086 348 E HN 0.642 nan 8.360 nan 0.000 0.397 349 C N 2.264 121.624 119.300 0.100 0.000 2.441 349 C HA 0.715 5.175 4.460 -0.000 0.000 0.318 349 C C 0.988 176.041 174.990 0.106 0.000 1.222 349 C CA 0.828 59.903 59.018 0.094 0.000 1.474 349 C CB -0.169 27.574 27.740 0.005 0.000 2.125 349 C HN 0.917 nan 8.230 nan 0.000 0.479 350 G N 2.978 111.843 108.800 0.109 0.000 2.213 350 G HA2 0.076 4.035 3.960 -0.000 0.000 0.226 350 G HA3 0.076 4.035 3.960 -0.000 0.000 0.226 350 G C 1.104 176.191 174.900 0.312 0.000 0.992 350 G CA 0.736 45.968 45.100 0.219 0.000 0.632 350 G HN 2.577 nan 8.290 nan 0.000 0.511 351 G N -0.534 108.380 108.800 0.189 0.000 2.338 351 G HA2 0.038 3.998 3.960 -0.000 0.000 0.296 351 G HA3 0.038 3.998 3.960 -0.000 0.000 0.296 351 G C 0.416 175.354 174.900 0.062 0.000 1.040 351 G CA 0.711 45.882 45.100 0.119 0.000 1.004 351 G HN 1.922 nan 8.290 nan 0.000 0.509 352 L N 1.650 122.884 121.223 0.019 0.000 2.490 352 L HA 0.627 4.967 4.340 -0.000 0.000 0.274 352 L C 0.891 177.640 176.870 -0.201 0.000 1.201 352 L CA 0.999 55.674 54.840 -0.274 0.000 0.869 352 L CB 0.741 42.674 42.059 -0.209 0.000 1.123 352 L HN 0.647 nan 8.230 nan 0.000 0.484 353 T N 2.921 117.313 114.554 -0.270 0.000 2.893 353 T HA 0.485 4.835 4.350 -0.000 0.000 0.293 353 T C -0.159 174.422 174.700 -0.197 0.000 1.027 353 T CA -0.810 61.185 62.100 -0.175 0.000 0.988 353 T CB 0.975 69.768 68.868 -0.125 0.000 1.043 353 T HN 0.530 nan 8.240 nan 0.000 0.461 354 L N 2.864 123.995 121.223 -0.154 0.000 2.422 354 L HA 0.622 4.962 4.340 -0.000 0.000 0.256 354 L C 0.899 177.674 176.870 -0.159 0.000 1.202 354 L CA -0.055 54.686 54.840 -0.166 0.000 1.119 354 L CB -0.480 41.494 42.059 -0.141 0.000 1.383 354 L HN 1.194 nan 8.230 nan 0.000 0.411 355 G N 1.568 110.274 108.800 -0.157 0.000 2.352 355 G HA2 0.216 4.176 3.960 -0.000 0.000 0.305 355 G HA3 0.216 4.176 3.960 -0.000 0.000 0.305 355 G C -1.866 172.975 174.900 -0.100 0.000 1.537 355 G CA -0.964 44.068 45.100 -0.114 0.000 0.959 355 G HN 0.300 nan 8.290 nan 0.000 0.668 356 R N 1.056 121.518 120.500 -0.063 0.000 2.508 356 R HA 0.490 4.830 4.340 -0.000 0.000 0.283 356 R C 0.139 176.429 176.300 -0.017 0.000 1.120 356 R CA 0.247 56.319 56.100 -0.048 0.000 0.958 356 R CB 0.949 31.215 30.300 -0.057 0.000 1.215 356 R HN 0.628 nan 8.270 nan 0.000 0.427 357 D N 0.964 121.360 120.400 -0.006 0.000 3.821 357 D HA -0.265 4.374 4.640 -0.000 0.000 0.204 357 D C 0.529 176.843 176.300 0.024 0.000 1.303 357 D CA 2.339 56.344 54.000 0.008 0.000 2.340 357 D CB -0.891 39.913 40.800 0.007 0.000 1.233 357 D HN 0.493 nan 8.370 nan 0.000 0.420 358 S N -1.121 114.602 115.700 0.038 0.000 3.897 358 S HA 0.195 4.665 4.470 -0.000 0.000 0.214 358 S C -2.451 172.232 174.600 0.139 0.000 1.102 358 S CA 0.176 58.421 58.200 0.075 0.000 1.116 358 S CB -0.390 62.837 63.200 0.046 0.000 1.288 358 S HN 0.129 nan 8.310 nan 0.000 0.458 359 P HA 0.265 nan 4.420 nan 0.000 0.272 359 P C -1.129 176.337 177.300 0.276 0.000 1.223 359 P CA -0.061 63.120 63.100 0.134 0.000 0.784 359 P CB 0.106 31.838 31.700 0.054 0.000 0.923 360 Y N 1.016 121.307 120.300 -0.014 0.000 2.960 360 Y HA 0.294 4.844 4.550 -0.000 0.000 0.393 360 Y C 0.461 176.357 175.900 -0.007 0.000 1.118 360 Y CA -0.246 57.847 58.100 -0.012 0.000 1.850 360 Y CB -0.717 37.742 38.460 -0.001 0.000 1.827 360 Y HN 0.303 nan 8.280 nan 0.000 0.463 361 E N -0.378 119.893 120.200 0.119 0.000 2.321 361 E HA 0.594 4.944 4.350 -0.000 0.000 0.278 361 E C -1.469 175.120 176.600 -0.017 0.000 0.902 361 E CA -0.754 55.684 56.400 0.063 0.000 0.758 361 E CB 3.031 32.763 29.700 0.053 0.000 1.213 361 E HN -0.104 nan 8.360 nan 0.000 0.426 362 V N 2.152 122.035 119.914 -0.050 0.000 2.735 362 V HA 0.252 4.372 4.120 -0.000 0.000 0.310 362 V C -0.625 175.329 176.094 -0.233 0.000 1.061 362 V CA -0.902 61.256 62.300 -0.238 0.000 0.913 362 V CB 2.061 33.619 31.823 -0.442 0.000 1.005 362 V HN 0.573 nan 8.190 nan 0.000 0.428 363 E N 3.579 123.594 120.200 -0.309 0.000 2.136 363 E HA 0.223 4.573 4.350 -0.000 0.000 0.246 363 E C -0.214 176.157 176.600 -0.381 0.000 1.017 363 E CA -0.278 55.974 56.400 -0.246 0.000 0.883 363 E CB 0.487 30.089 29.700 -0.163 0.000 1.199 363 E HN 0.666 nan 8.360 nan 0.000 0.447 364 Y N 0.554 120.644 120.300 -0.351 0.000 2.421 364 Y HA -0.171 4.379 4.550 -0.000 0.000 0.292 364 Y C 2.039 177.535 175.900 -0.674 0.000 1.136 364 Y CA 1.204 59.010 58.100 -0.490 0.000 1.255 364 Y CB 0.115 38.214 38.460 -0.602 0.000 0.991 364 Y HN 0.393 nan 8.280 nan 0.000 0.552 365 D N -0.532 119.469 120.400 -0.664 0.000 2.178 365 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 365 D C 2.055 178.253 176.300 -0.170 0.000 0.980 365 D CA 1.048 54.789 54.000 -0.431 0.000 0.842 365 D CB 0.014 40.681 40.800 -0.221 0.000 0.948 365 D HN 0.092 nan 8.370 nan 0.000 0.472 366 V N 0.380 120.193 119.914 -0.167 0.000 2.287 366 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 366 V C 2.516 178.561 176.094 -0.082 0.000 1.053 366 V CA 1.410 63.647 62.300 -0.105 0.000 1.027 366 V CB -0.496 31.258 31.823 -0.114 0.000 0.646 366 V HN 0.336 nan 8.190 nan 0.000 0.447 367 L N -0.090 121.075 121.223 -0.097 0.000 2.131 367 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 367 L C 2.725 179.581 176.870 -0.023 0.000 1.087 367 L CA 1.267 56.081 54.840 -0.043 0.000 0.767 367 L CB -0.820 41.228 42.059 -0.017 0.000 0.917 367 L HN 0.327 nan 8.230 nan 0.000 0.441 368 A N 0.276 123.082 122.820 -0.022 0.000 1.933 368 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 368 A C 2.351 179.941 177.584 0.010 0.000 1.175 368 A CA 1.715 53.760 52.037 0.014 0.000 0.628 368 A CB -0.519 18.573 19.000 0.154 0.000 0.814 368 A HN 0.387 nan 8.150 nan 0.000 0.444 369 A N -1.252 121.572 122.820 0.006 0.000 2.218 369 A HA 0.173 4.493 4.320 -0.000 0.000 0.209 369 A C 1.169 178.750 177.584 -0.005 0.000 1.168 369 A CA 0.313 52.353 52.037 0.005 0.000 0.804 369 A CB -0.278 18.726 19.000 0.007 0.000 0.834 369 A HN 0.613 nan 8.150 nan 0.000 0.482 370 Q N 0.592 120.386 119.800 -0.010 0.000 2.296 370 Q HA 0.206 4.546 4.340 -0.000 0.000 0.262 370 Q C -0.028 175.970 176.000 -0.003 0.000 0.981 370 Q CA 0.193 55.992 55.803 -0.008 0.000 0.905 370 Q CB 0.421 29.149 28.738 -0.017 0.000 1.186 370 Q HN 0.398 nan 8.270 nan 0.000 0.399 371 K N 1.916 122.325 120.400 0.015 0.000 2.402 371 K HA 0.359 4.678 4.320 -0.000 0.000 0.204 371 K C -0.689 175.928 176.600 0.028 0.000 1.056 371 K CA 0.031 56.328 56.287 0.017 0.000 1.069 371 K CB 1.385 33.903 32.500 0.029 0.000 0.888 371 K HN 0.508 nan 8.250 nan 0.000 0.546 372 A N 1.316 124.145 122.820 0.014 0.000 2.449 372 A HA 0.457 4.777 4.320 -0.000 0.000 0.302 372 A C -0.108 177.427 177.584 -0.082 0.000 1.048 372 A CA -0.703 51.312 52.037 -0.036 0.000 0.708 372 A CB 0.979 19.917 19.000 -0.102 0.000 1.274 372 A HN 0.128 nan 8.150 nan 0.000 0.410 373 T N -0.941 113.554 114.554 -0.099 0.000 2.788 373 T HA 0.322 4.672 4.350 -0.000 0.000 0.287 373 T C 1.230 175.753 174.700 -0.295 0.000 1.007 373 T CA 0.739 62.709 62.100 -0.215 0.000 1.005 373 T CB 0.412 69.121 68.868 -0.265 0.000 1.012 373 T HN 0.516 nan 8.240 nan 0.000 0.530 374 T N 1.020 115.237 114.554 -0.562 0.000 2.803 374 T HA -0.133 4.216 4.350 -0.000 0.000 0.269 374 T C 2.236 176.717 174.700 -0.365 0.000 1.052 374 T CA 1.664 63.407 62.100 -0.594 0.000 1.136 374 T CB -0.640 67.562 68.868 -1.110 0.000 0.864 374 T HN 0.712 nan 8.240 nan 0.000 0.467 375 S N 0.442 115.985 115.700 -0.261 0.000 2.353 375 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 375 S C 2.192 176.806 174.600 0.025 0.000 1.035 375 S CA 1.518 59.764 58.200 0.077 0.000 1.025 375 S CB -0.183 63.230 63.200 0.355 0.000 0.902 375 S HN 0.468 nan 8.310 nan 0.000 0.440 376 R N 0.135 120.629 120.500 -0.010 0.000 2.075 376 R HA 0.082 4.422 4.340 -0.000 0.000 0.232 376 R C 2.361 178.594 176.300 -0.111 0.000 1.126 376 R CA 1.287 57.359 56.100 -0.047 0.000 0.963 376 R CB -0.372 29.895 30.300 -0.056 0.000 0.858 376 R HN 0.413 nan 8.270 nan 0.000 0.435 377 L N 0.346 121.481 121.223 -0.147 0.000 2.079 377 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 377 L C 2.634 179.446 176.870 -0.098 0.000 1.081 377 L CA 1.532 56.280 54.840 -0.153 0.000 0.752 377 L CB -0.377 41.594 42.059 -0.146 0.000 0.896 377 L HN 0.215 nan 8.230 nan 0.000 0.433 378 R N -0.137 120.318 120.500 -0.074 0.000 2.105 378 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 378 R C 1.828 178.113 176.300 -0.026 0.000 1.135 378 R CA 1.651 57.730 56.100 -0.035 0.000 0.967 378 R CB -0.423 29.874 30.300 -0.004 0.000 0.861 378 R HN 0.410 nan 8.270 nan 0.000 0.442 379 D N 0.453 120.835 120.400 -0.029 0.000 2.149 379 D HA -0.070 4.569 4.640 -0.000 0.000 0.201 379 D C 1.976 178.255 176.300 -0.035 0.000 0.972 379 D CA 0.894 54.881 54.000 -0.022 0.000 0.835 379 D CB -0.067 40.724 40.800 -0.015 0.000 0.966 379 D HN 0.178 nan 8.370 nan 0.000 0.476 380 L N 0.061 121.243 121.223 -0.067 0.000 2.093 380 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 380 L C 2.148 178.995 176.870 -0.038 0.000 1.085 380 L CA 0.680 55.477 54.840 -0.072 0.000 0.755 380 L CB -0.146 41.816 42.059 -0.162 0.000 0.904 380 L HN -0.011 nan 8.230 nan 0.000 0.435 381 L N -0.381 120.820 121.223 -0.037 0.000 2.567 381 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 381 L C 1.236 178.100 176.870 -0.010 0.000 1.119 381 L CA -0.576 54.253 54.840 -0.019 0.000 0.871 381 L CB -0.271 41.775 42.059 -0.021 0.000 1.036 381 L HN 0.072 nan 8.230 nan 0.000 0.459 382 A N 0.559 123.373 122.820 -0.011 0.000 2.561 382 A HA 0.339 4.659 4.320 -0.000 0.000 0.251 382 A C 1.515 179.099 177.584 -0.001 0.000 1.062 382 A CA 0.775 52.809 52.037 -0.004 0.000 0.761 382 A CB -0.446 18.552 19.000 -0.003 0.000 0.986 382 A HN 0.600 nan 8.150 nan 0.000 0.510 383 G N 1.321 110.121 108.800 0.001 0.000 2.184 383 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.264 383 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.264 383 G C 0.250 175.151 174.900 0.002 0.000 0.975 383 G CA 0.274 45.376 45.100 0.002 0.000 0.642 383 G HN 1.447 nan 8.290 nan 0.000 0.536 384 V N 1.385 121.300 119.914 0.002 0.000 2.498 384 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 384 V C 1.355 177.451 176.094 0.003 0.000 1.048 384 V CA -0.263 62.039 62.300 0.003 0.000 0.967 384 V CB 1.472 33.298 31.823 0.004 0.000 0.988 384 V HN 0.309 nan 8.190 nan 0.000 0.473 385 R N 1.784 122.286 120.500 0.003 0.000 2.225 385 R HA 0.153 4.493 4.340 -0.000 0.000 0.194 385 R C 1.188 177.490 176.300 0.003 0.000 0.949 385 R CA 0.276 56.378 56.100 0.003 0.000 1.088 385 R CB -0.116 30.186 30.300 0.003 0.000 1.106 385 R HN 0.641 nan 8.270 nan 0.000 0.566 386 S N 1.083 116.785 115.700 0.004 0.000 2.537 386 S HA 0.196 4.666 4.470 -0.000 0.000 0.286 386 S C 1.396 175.998 174.600 0.004 0.000 1.299 386 S CA 0.269 58.472 58.200 0.004 0.000 1.067 386 S CB 1.272 64.475 63.200 0.004 0.000 0.864 386 S HN 0.324 nan 8.310 nan 0.000 0.494 387 A N 4.633 127.455 122.820 0.003 0.000 1.883 387 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 387 A C 1.873 179.459 177.584 0.004 0.000 1.186 387 A CA 1.913 53.952 52.037 0.003 0.000 0.624 387 A CB -0.991 18.011 19.000 0.002 0.000 0.822 387 A HN 0.905 nan 8.150 nan 0.000 0.444 388 D N -0.702 119.700 120.400 0.003 0.000 2.133 388 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 388 D C 1.907 178.210 176.300 0.005 0.000 0.997 388 D CA 1.789 55.791 54.000 0.003 0.000 0.840 388 D CB -0.293 40.508 40.800 0.002 0.000 0.947 388 D HN 0.608 nan 8.370 nan 0.000 0.452 389 E N 0.399 120.603 120.200 0.007 0.000 2.072 389 E HA -0.050 4.299 4.350 -0.000 0.000 0.190 389 E C 2.255 178.863 176.600 0.013 0.000 0.982 389 E CA 0.491 56.897 56.400 0.010 0.000 0.803 389 E CB -0.311 29.394 29.700 0.009 0.000 0.755 389 E HN 0.225 nan 8.360 nan 0.000 0.453 390 L N 0.403 121.632 121.223 0.010 0.000 2.046 390 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 390 L C 2.651 179.529 176.870 0.014 0.000 1.077 390 L CA 1.760 56.607 54.840 0.011 0.000 0.747 390 L CB -0.407 41.656 42.059 0.006 0.000 0.896 390 L HN 0.267 nan 8.230 nan 0.000 0.432 391 E N -0.517 119.689 120.200 0.010 0.000 2.072 391 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 391 E C 2.359 178.966 176.600 0.011 0.000 0.985 391 E CA 1.223 57.628 56.400 0.009 0.000 0.801 391 E CB 0.062 29.765 29.700 0.004 0.000 0.750 391 E HN 0.293 nan 8.360 nan 0.000 0.452 392 S N 0.077 115.784 115.700 0.011 0.000 2.370 392 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 392 S C 1.955 176.569 174.600 0.023 0.000 1.033 392 S CA 1.288 59.493 58.200 0.008 0.000 1.011 392 S CB -0.275 62.929 63.200 0.007 0.000 0.852 392 S HN 0.310 nan 8.310 nan 0.000 0.457 393 I N 0.840 121.439 120.570 0.049 0.000 2.202 393 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 393 I C 2.335 178.547 176.117 0.158 0.000 1.091 393 I CA 0.920 62.288 61.300 0.113 0.000 1.368 393 I CB -0.438 37.616 38.000 0.089 0.000 1.058 393 I HN 0.180 nan 8.210 nan 0.000 0.410 394 V N 1.119 121.081 119.914 0.080 0.000 2.332 394 V HA -0.323 3.796 4.120 -0.000 0.000 0.248 394 V C 2.681 178.807 176.094 0.053 0.000 1.055 394 V CA 2.111 64.451 62.300 0.066 0.000 1.038 394 V CB -1.005 30.833 31.823 0.025 0.000 0.651 394 V HN 0.516 nan 8.190 nan 0.000 0.450 395 A N -0.231 122.602 122.820 0.021 0.000 1.969 395 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 395 A C 2.346 179.898 177.584 -0.053 0.000 1.169 395 A CA 1.662 53.692 52.037 -0.011 0.000 0.635 395 A CB -0.603 18.388 19.000 -0.015 0.000 0.810 395 A HN 0.576 nan 8.150 nan 0.000 0.445 396 A N -1.728 121.035 122.820 -0.096 0.000 2.121 396 A HA -0.094 4.225 4.320 -0.000 0.000 0.218 396 A C 1.661 178.949 177.584 -0.494 0.000 1.154 396 A CA 1.346 53.205 52.037 -0.297 0.000 0.679 396 A CB -0.518 18.257 19.000 -0.374 0.000 0.795 396 A HN 0.675 nan 8.150 nan 0.000 0.458 397 H N -1.386 117.670 119.070 -0.023 0.000 3.233 397 H HA 0.156 4.712 4.556 -0.000 0.000 0.263 397 H C 0.246 175.554 175.328 -0.032 0.000 1.168 397 H CA 0.951 56.982 56.048 -0.029 0.000 1.159 397 H CB 0.462 30.205 29.762 -0.032 0.000 1.593 397 H HN 0.612 nan 8.280 nan 0.000 0.580 398 T N -3.525 111.056 114.554 0.044 0.000 2.754 398 T HA 0.411 4.761 4.350 -0.000 0.000 0.296 398 T C 1.129 175.828 174.700 -0.003 0.000 1.205 398 T CA -0.412 61.699 62.100 0.018 0.000 1.009 398 T CB 1.562 70.438 68.868 0.014 0.000 1.368 398 T HN -0.019 nan 8.240 nan 0.000 0.509 399 G N -0.202 108.594 108.800 -0.007 0.000 3.042 399 G HA2 0.314 4.274 3.960 -0.000 0.000 0.212 399 G HA3 0.314 4.274 3.960 -0.000 0.000 0.212 399 G C 0.428 175.323 174.900 -0.008 0.000 1.166 399 G CA -0.381 44.715 45.100 -0.007 0.000 0.767 399 G HN 0.762 nan 8.290 nan 0.000 0.546 400 I N 2.151 122.716 120.570 -0.008 0.000 2.517 400 I HA 0.088 4.257 4.170 -0.000 0.000 0.285 400 I C 1.637 177.750 176.117 -0.006 0.000 1.106 400 I CA 0.128 61.423 61.300 -0.008 0.000 1.402 400 I CB 1.467 39.463 38.000 -0.007 0.000 1.399 400 I HN 0.102 nan 8.210 nan 0.000 0.535 401 T N 1.644 116.195 114.554 -0.006 0.000 3.001 401 T HA 0.449 4.799 4.350 -0.000 0.000 0.251 401 T C 0.368 175.066 174.700 -0.004 0.000 1.040 401 T CA -0.142 61.955 62.100 -0.006 0.000 0.985 401 T CB 0.509 69.374 68.868 -0.005 0.000 1.011 401 T HN 0.604 nan 8.240 nan 0.000 0.509 402 A N 1.207 124.025 122.820 -0.003 0.000 2.408 402 A HA 0.731 5.051 4.320 -0.000 0.000 0.295 402 A C -0.972 176.611 177.584 -0.002 0.000 1.040 402 A CA -0.814 51.221 52.037 -0.002 0.000 0.707 402 A CB 1.124 20.122 19.000 -0.002 0.000 1.235 402 A HN 0.376 nan 8.150 nan 0.000 0.418 403 L N 1.979 123.202 121.223 -0.001 0.000 2.343 403 L HA 0.558 4.897 4.340 -0.000 0.000 0.275 403 L C 1.239 178.108 176.870 -0.001 0.000 1.056 403 L CA -0.679 54.160 54.840 -0.002 0.000 0.804 403 L CB 1.999 44.058 42.059 -0.000 0.000 1.203 403 L HN 0.917 nan 8.230 nan 0.000 0.440 404 T N -3.105 111.449 114.554 -0.001 0.000 2.766 404 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 404 T C 0.666 175.366 174.700 0.000 0.000 1.024 404 T CA -0.732 61.368 62.100 -0.001 0.000 1.018 404 T CB 0.842 69.709 68.868 -0.001 0.000 1.002 404 T HN 0.494 nan 8.240 nan 0.000 0.532 405 D N 0.079 120.479 120.400 0.001 0.000 2.149 405 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 405 D C 2.128 178.429 176.300 0.001 0.000 0.990 405 D CA 1.073 55.074 54.000 0.001 0.000 0.839 405 D CB -0.278 40.523 40.800 0.001 0.000 0.948 405 D HN 0.583 nan 8.370 nan 0.000 0.460 406 R N 1.420 121.921 120.500 0.001 0.000 2.073 406 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 406 R C 1.856 178.158 176.300 0.002 0.000 1.134 406 R CA 1.464 57.565 56.100 0.002 0.000 0.952 406 R CB -0.441 29.860 30.300 0.002 0.000 0.850 406 R HN 0.163 nan 8.270 nan 0.000 0.433 407 E N -0.520 119.680 120.200 0.001 0.000 2.085 407 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 407 E C 1.928 178.528 176.600 0.001 0.000 0.994 407 E CA 1.608 58.009 56.400 0.000 0.000 0.801 407 E CB -0.073 29.627 29.700 -0.001 0.000 0.743 407 E HN 0.126 nan 8.360 nan 0.000 0.453 408 V N 1.392 121.307 119.914 0.001 0.000 2.282 408 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 408 V C 2.339 178.434 176.094 0.002 0.000 1.057 408 V CA 2.005 64.306 62.300 0.001 0.000 1.032 408 V CB -0.816 31.008 31.823 0.002 0.000 0.645 408 V HN 0.365 nan 8.190 nan 0.000 0.447 409 A N -0.485 122.337 122.820 0.002 0.000 1.908 409 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 409 A C 2.287 179.873 177.584 0.003 0.000 1.181 409 A CA 2.156 54.195 52.037 0.003 0.000 0.627 409 A CB -0.464 18.538 19.000 0.003 0.000 0.818 409 A HN 0.572 nan 8.150 nan 0.000 0.445 410 K N -0.489 119.913 120.400 0.003 0.000 2.057 410 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 410 K C 1.821 178.423 176.600 0.003 0.000 1.049 410 K CA 1.392 57.681 56.287 0.005 0.000 0.931 410 K CB -0.323 32.181 32.500 0.005 0.000 0.714 410 K HN 0.480 nan 8.250 nan 0.000 0.440 411 L N 0.244 121.467 121.223 0.001 0.000 2.109 411 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 411 L C 2.656 179.525 176.870 -0.000 0.000 1.086 411 L CA 0.798 55.637 54.840 -0.002 0.000 0.760 411 L CB -0.331 41.726 42.059 -0.004 0.000 0.910 411 L HN 0.164 nan 8.230 nan 0.000 0.437 412 R N 0.477 120.977 120.500 0.001 0.000 2.096 412 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 412 R C 1.947 178.249 176.300 0.003 0.000 1.127 412 R CA 2.151 58.252 56.100 0.002 0.000 0.968 412 R CB -0.142 30.160 30.300 0.002 0.000 0.861 412 R HN 0.326 nan 8.270 nan 0.000 0.440 413 D N -0.430 119.972 120.400 0.004 0.000 2.085 413 D HA -0.045 4.594 4.640 -0.000 0.000 0.199 413 D C -0.569 175.734 176.300 0.006 0.000 0.981 413 D CA 1.590 55.593 54.000 0.005 0.000 0.834 413 D CB 0.167 40.970 40.800 0.006 0.000 0.992 413 D HN 0.269 nan 8.370 nan 0.000 0.457 414 A N -0.707 122.117 122.820 0.006 0.000 2.599 414 A HA 0.467 4.787 4.320 -0.000 0.000 0.281 414 A C -2.229 175.358 177.584 0.006 0.000 1.137 414 A CA -1.002 51.040 52.037 0.009 0.000 0.767 414 A CB 1.533 20.541 19.000 0.013 0.000 1.266 414 A HN -0.010 nan 8.150 nan 0.000 0.420 415 P HA -0.063 nan 4.420 nan 0.000 0.222 415 P C 1.687 178.980 177.300 -0.013 0.000 1.147 415 P CA 1.773 64.868 63.100 -0.008 0.000 0.790 415 P CB 0.231 31.922 31.700 -0.013 0.000 0.780 416 G N 0.628 109.431 108.800 0.005 0.000 2.498 416 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 416 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 416 G C 1.596 176.508 174.900 0.020 0.000 1.119 416 G CA 1.048 46.159 45.100 0.019 0.000 0.766 416 G HN 0.420 nan 8.290 nan 0.000 0.552 417 S N 0.427 116.136 115.700 0.015 0.000 2.493 417 S HA -0.107 4.363 4.470 -0.000 0.000 0.243 417 S C 2.171 176.772 174.600 0.002 0.000 0.991 417 S CA 0.916 59.126 58.200 0.016 0.000 0.957 417 S CB -0.208 63.001 63.200 0.014 0.000 0.756 417 S HN 0.186 nan 8.310 nan 0.000 0.521 418 I N 3.498 124.054 120.570 -0.022 0.000 2.335 418 I HA -0.189 3.980 4.170 -0.000 0.000 0.251 418 I C 2.483 178.573 176.117 -0.045 0.000 1.129 418 I CA 1.239 62.514 61.300 -0.040 0.000 1.402 418 I CB -0.861 37.100 38.000 -0.064 0.000 1.069 418 I HN 0.563 nan 8.210 nan 0.000 0.424 419 S N -0.913 114.758 115.700 -0.048 0.000 2.382 419 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 419 S C 2.123 176.752 174.600 0.049 0.000 1.027 419 S CA 1.706 59.895 58.200 -0.017 0.000 0.991 419 S CB -1.632 61.608 63.200 0.066 0.000 0.823 419 S HN 0.663 nan 8.310 nan 0.000 0.469 420 T N 0.395 114.979 114.554 0.050 0.000 2.896 420 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 420 T C 1.852 176.573 174.700 0.035 0.000 1.050 420 T CA 0.804 62.940 62.100 0.059 0.000 1.140 420 T CB -0.794 68.106 68.868 0.053 0.000 0.877 420 T HN 0.416 nan 8.240 nan 0.000 0.457 421 I N 1.014 121.594 120.570 0.016 0.000 2.163 421 I HA -0.108 4.062 4.170 -0.000 0.000 0.243 421 I C 2.568 178.683 176.117 -0.003 0.000 1.085 421 I CA 1.363 62.665 61.300 0.003 0.000 1.347 421 I CB -0.377 37.620 38.000 -0.005 0.000 1.044 421 I HN 0.217 nan 8.210 nan 0.000 0.408 422 L N 0.253 121.473 121.223 -0.006 0.000 2.056 422 L HA -0.163 4.176 4.340 -0.000 0.000 0.207 422 L C 2.843 179.710 176.870 -0.004 0.000 1.078 422 L CA 1.212 56.043 54.840 -0.014 0.000 0.749 422 L CB -0.713 41.332 42.059 -0.024 0.000 0.901 422 L HN 0.229 nan 8.230 nan 0.000 0.433 423 A N 0.077 122.918 122.820 0.035 0.000 1.908 423 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 423 A C 2.191 179.773 177.584 -0.004 0.000 1.181 423 A CA 2.064 54.128 52.037 0.046 0.000 0.627 423 A CB -0.475 18.608 19.000 0.138 0.000 0.818 423 A HN 0.419 nan 8.150 nan 0.000 0.445 424 E N 0.130 120.332 120.200 0.003 0.000 2.047 424 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 424 E C 2.138 178.718 176.600 -0.033 0.000 0.987 424 E CA 1.541 57.934 56.400 -0.012 0.000 0.799 424 E CB -0.298 29.402 29.700 -0.000 0.000 0.752 424 E HN 0.567 nan 8.360 nan 0.000 0.449 425 R N -0.352 120.127 120.500 -0.034 0.000 2.120 425 R HA -0.028 4.312 4.340 -0.000 0.000 0.234 425 R C 2.210 178.462 176.300 -0.080 0.000 1.123 425 R CA 1.171 57.242 56.100 -0.048 0.000 0.975 425 R CB -0.286 29.989 30.300 -0.041 0.000 0.866 425 R HN 0.254 nan 8.270 nan 0.000 0.446 426 A N -0.184 122.577 122.820 -0.099 0.000 2.072 426 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 426 A C 1.445 178.913 177.584 -0.195 0.000 1.156 426 A CA 0.872 52.808 52.037 -0.169 0.000 0.701 426 A CB -0.080 18.814 19.000 -0.176 0.000 0.816 426 A HN 0.430 nan 8.150 nan 0.000 0.458 427 G N -0.214 108.505 108.800 -0.134 0.000 2.182 427 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 427 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 427 G C 0.164 174.968 174.900 -0.160 0.000 1.042 427 G CA 0.443 45.467 45.100 -0.126 0.000 0.775 427 G HN 1.355 nan 8.290 nan 0.000 0.501 428 I N -2.697 117.770 120.570 -0.171 0.000 2.947 428 I HA 0.971 5.141 4.170 -0.000 0.000 0.314 428 I C 0.175 176.173 176.117 -0.200 0.000 1.028 428 I CA -0.998 60.170 61.300 -0.219 0.000 1.077 428 I CB 2.332 40.164 38.000 -0.280 0.000 1.274 428 I HN 0.701 nan 8.210 nan 0.000 0.485 429 A N 2.420 125.062 122.820 -0.296 0.000 2.587 429 A HA 0.847 5.167 4.320 -0.000 0.000 0.293 429 A C -1.665 175.677 177.584 -0.402 0.000 1.087 429 A CA -0.472 51.442 52.037 -0.204 0.000 0.692 429 A CB 1.391 20.339 19.000 -0.087 0.000 1.291 429 A HN 0.647 nan 8.150 nan 0.000 0.407 430 F N -0.093 119.862 119.950 0.007 0.000 2.563 430 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 430 F C 1.454 177.263 175.800 0.014 0.000 1.076 430 F CA 0.208 58.216 58.000 0.013 0.000 0.921 430 F CB 2.853 41.865 39.000 0.021 0.000 1.209 430 F HN 0.634 nan 8.300 nan 0.000 0.462 431 T N -3.302 111.369 114.554 0.195 0.000 3.022 431 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 431 T C 0.375 175.141 174.700 0.110 0.000 1.060 431 T CA 0.249 62.420 62.100 0.118 0.000 1.013 431 T CB 0.223 69.135 68.868 0.075 0.000 0.982 431 T HN 0.600 nan 8.240 nan 0.000 0.508 432 T N 1.537 116.170 114.554 0.133 0.000 2.853 432 T HA 0.407 4.757 4.350 -0.000 0.000 0.311 432 T C -1.253 173.488 174.700 0.068 0.000 1.307 432 T CA -0.298 61.855 62.100 0.089 0.000 1.019 432 T CB 1.878 70.795 68.868 0.081 0.000 1.264 432 T HN 0.144 nan 8.240 nan 0.000 0.497 433 D N 0.763 121.193 120.400 0.051 0.000 2.368 433 D HA 0.308 4.948 4.640 -0.000 0.000 0.218 433 D C 0.829 177.215 176.300 0.144 0.000 1.112 433 D CA -0.208 53.826 54.000 0.056 0.000 0.834 433 D CB 0.068 40.894 40.800 0.042 0.000 0.953 433 D HN 0.621 nan 8.370 nan 0.000 0.505 434 G N -1.189 107.662 108.800 0.086 0.000 3.075 434 G HA2 0.412 4.372 3.960 -0.000 0.000 0.253 434 G HA3 0.412 4.372 3.960 -0.000 0.000 0.253 434 G C -0.875 174.080 174.900 0.091 0.000 1.353 434 G CA -0.856 44.291 45.100 0.078 0.000 1.051 434 G HN 0.242 nan 8.290 nan 0.000 0.553 435 H N -1.114 117.943 119.070 -0.022 0.000 2.505 435 H HA 0.491 5.047 4.556 -0.000 0.000 0.355 435 H C 0.317 175.652 175.328 0.013 0.000 1.179 435 H CA -0.182 55.833 56.048 -0.056 0.000 1.343 435 H CB 1.510 31.123 29.762 -0.249 0.000 1.501 435 H HN 0.597 nan 8.280 nan 0.000 0.569 436 T N -1.628 113.038 114.554 0.187 0.000 2.930 436 T HA 0.373 4.723 4.350 -0.000 0.000 0.290 436 T C 1.027 175.805 174.700 0.130 0.000 1.052 436 T CA -0.735 61.444 62.100 0.131 0.000 1.017 436 T CB 1.602 70.532 68.868 0.103 0.000 1.137 436 T HN 0.650 nan 8.240 nan 0.000 0.511 437 G N 0.205 109.069 108.800 0.106 0.000 3.371 437 G HA2 0.273 4.233 3.960 -0.000 0.000 0.248 437 G HA3 0.273 4.233 3.960 -0.000 0.000 0.248 437 G C 0.528 175.488 174.900 0.101 0.000 1.161 437 G CA -0.147 45.020 45.100 0.112 0.000 0.796 437 G HN 0.909 nan 8.290 nan 0.000 0.539 438 T N 1.190 115.794 114.554 0.083 0.000 2.903 438 T HA 0.176 4.526 4.350 -0.000 0.000 0.314 438 T C 0.127 174.866 174.700 0.065 0.000 1.078 438 T CA -0.417 61.721 62.100 0.063 0.000 1.114 438 T CB 0.416 69.309 68.868 0.043 0.000 0.987 438 T HN 0.133 nan 8.240 nan 0.000 0.548 439 D N 1.515 121.948 120.400 0.054 0.000 2.378 439 D HA 0.330 4.969 4.640 -0.000 0.000 0.238 439 D C 0.286 176.589 176.300 0.006 0.000 1.180 439 D CA 0.020 54.045 54.000 0.041 0.000 0.895 439 D CB 0.817 41.637 40.800 0.033 0.000 1.192 439 D HN 0.483 nan 8.370 nan 0.000 0.438 440 V N -1.963 117.940 119.914 -0.017 0.000 3.001 440 V HA 0.664 4.784 4.120 -0.000 0.000 0.314 440 V C -2.845 173.167 176.094 -0.137 0.000 1.099 440 V CA -2.464 59.798 62.300 -0.065 0.000 0.989 440 V CB 1.868 33.657 31.823 -0.058 0.000 1.040 440 V HN 0.255 nan 8.190 nan 0.000 0.434 441 P HA 0.404 nan 4.420 nan 0.000 0.272 441 P C -0.926 176.053 177.300 -0.535 0.000 1.223 441 P CA -0.012 62.821 63.100 -0.444 0.000 0.784 441 P CB 1.210 32.577 31.700 -0.555 0.000 0.923 442 V N 3.724 123.237 119.914 -0.668 0.000 2.823 442 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 442 V C -1.587 173.994 176.094 -0.853 0.000 1.072 442 V CA -0.658 61.302 62.300 -0.567 0.000 0.937 442 V CB 0.988 32.671 31.823 -0.234 0.000 1.013 442 V HN 0.281 nan 8.190 nan 0.000 0.430 443 F N 4.171 123.877 119.950 -0.407 0.000 2.563 443 F HA 0.935 5.462 4.527 -0.000 0.000 0.316 443 F C 0.314 175.941 175.800 -0.289 0.000 1.076 443 F CA -0.138 57.610 58.000 -0.420 0.000 0.921 443 F CB 2.338 40.752 39.000 -0.976 0.000 1.209 443 F HN 0.773 nan 8.300 nan 0.000 0.462 444 A N 1.594 124.566 122.820 0.253 0.000 2.539 444 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 444 A C -1.901 175.917 177.584 0.389 0.000 1.073 444 A CA -0.459 51.684 52.037 0.176 0.000 0.700 444 A CB 1.961 20.932 19.000 -0.048 0.000 1.296 444 A HN 0.890 nan 8.150 nan 0.000 0.405 445 H N -0.337 118.700 119.070 -0.054 0.000 3.046 445 H HA 0.556 5.112 4.556 -0.000 0.000 0.363 445 H C 0.183 175.438 175.328 -0.123 0.000 1.203 445 H CA 0.649 56.640 56.048 -0.095 0.000 1.169 445 H CB 2.024 31.577 29.762 -0.349 0.000 1.851 445 H HN 2.166 nan 8.280 nan 0.000 0.546 446 G N 2.965 111.561 108.800 -0.340 0.000 2.548 446 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.208 446 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.208 446 G C -2.884 172.080 174.900 0.106 0.000 1.308 446 G CA -0.893 44.161 45.100 -0.076 0.000 0.924 446 G HN 0.447 nan 8.290 nan 0.000 0.540 447 P HA 0.307 nan 4.420 nan 0.000 0.267 447 P C 0.430 177.870 177.300 0.234 0.000 1.205 447 P CA 0.827 64.021 63.100 0.157 0.000 0.765 447 P CB -0.155 31.610 31.700 0.107 0.000 0.828 448 N N 0.642 119.435 118.700 0.155 0.000 2.800 448 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 448 N C 0.890 176.594 175.510 0.323 0.000 1.078 448 N CA 0.670 53.818 53.050 0.162 0.000 0.804 448 N CB -1.583 36.946 38.487 0.070 0.000 1.135 448 N HN 0.487 nan 8.380 nan 0.000 0.565 449 A N 0.249 123.283 122.820 0.357 0.000 2.015 449 A HA 0.228 4.548 4.320 -0.000 0.000 0.219 449 A C 2.380 180.177 177.584 0.356 0.000 1.163 449 A CA 1.641 53.935 52.037 0.430 0.000 0.646 449 A CB -0.501 18.638 19.000 0.232 0.000 0.806 449 A HN 0.589 nan 8.150 nan 0.000 0.448 450 A N -0.213 122.734 122.820 0.211 0.000 2.172 450 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 450 A C 2.024 179.670 177.584 0.104 0.000 1.154 450 A CA 0.992 53.117 52.037 0.146 0.000 0.701 450 A CB -0.455 18.598 19.000 0.088 0.000 0.789 450 A HN 0.560 nan 8.150 nan 0.000 0.465 451 R N -1.674 118.877 120.500 0.085 0.000 2.241 451 R HA -0.060 4.279 4.340 -0.000 0.000 0.224 451 R C 0.481 176.624 176.300 -0.261 0.000 1.101 451 R CA 1.039 57.081 56.100 -0.096 0.000 0.995 451 R CB -0.288 29.912 30.300 -0.167 0.000 0.870 451 R HN 0.589 nan 8.270 nan 0.000 0.463 452 F N -0.034 119.969 119.950 0.089 0.000 2.765 452 F HA 0.036 4.563 4.527 -0.000 0.000 0.302 452 F C 0.827 176.638 175.800 0.017 0.000 1.111 452 F CA -0.139 57.895 58.000 0.057 0.000 1.359 452 F CB 0.170 39.215 39.000 0.075 0.000 1.097 452 F HN -0.155 nan 8.300 nan 0.000 0.577 453 D N 1.553 122.027 120.400 0.123 0.000 2.934 453 D HA 0.437 5.077 4.640 -0.000 0.000 0.237 453 D C -0.173 176.142 176.300 0.025 0.000 1.158 453 D CA 0.243 54.286 54.000 0.071 0.000 0.971 453 D CB -0.359 40.482 40.800 0.068 0.000 1.123 453 D HN 0.208 nan 8.370 nan 0.000 0.467 454 A N 0.216 123.046 122.820 0.016 0.000 2.566 454 A HA 0.724 5.043 4.320 -0.000 0.000 0.290 454 A C -1.153 176.431 177.584 -0.000 0.000 1.071 454 A CA -0.452 51.580 52.037 -0.010 0.000 0.658 454 A CB 0.644 19.616 19.000 -0.047 0.000 1.285 454 A HN 0.318 nan 8.150 nan 0.000 0.427 455 A N 1.122 123.941 122.820 -0.002 0.000 2.362 455 A HA 0.677 4.997 4.320 -0.000 0.000 0.276 455 A C 0.143 177.734 177.584 0.012 0.000 1.153 455 A CA -0.205 51.838 52.037 0.011 0.000 0.813 455 A CB 0.034 19.043 19.000 0.015 0.000 1.081 455 A HN 0.652 nan 8.150 nan 0.000 0.507 456 R N 1.503 122.026 120.500 0.038 0.000 2.888 456 R HA 0.450 4.790 4.340 -0.000 0.000 0.266 456 R C -1.135 175.208 176.300 0.072 0.000 1.020 456 R CA -0.820 55.305 56.100 0.042 0.000 0.963 456 R CB 1.324 31.663 30.300 0.065 0.000 1.197 456 R HN 0.875 nan 8.270 nan 0.000 0.481 457 D N -0.096 120.342 120.400 0.063 0.000 2.348 457 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 457 D C 1.065 177.404 176.300 0.066 0.000 1.110 457 D CA -0.359 53.664 54.000 0.039 0.000 0.967 457 D CB 0.863 41.676 40.800 0.022 0.000 1.139 457 D HN 0.464 nan 8.370 nan 0.000 0.466 458 N N 0.198 118.899 118.700 0.001 0.000 2.381 458 N HA -0.192 4.548 4.740 -0.000 0.000 0.182 458 N C 1.327 176.941 175.510 0.172 0.000 1.025 458 N CA 1.785 54.914 53.050 0.132 0.000 0.888 458 N CB -1.225 37.266 38.487 0.007 0.000 0.965 458 N HN 0.502 nan 8.380 nan 0.000 0.438 459 T N -3.346 111.234 114.554 0.043 0.000 2.977 459 T HA 0.161 4.511 4.350 -0.000 0.000 0.271 459 T C 1.894 176.669 174.700 0.125 0.000 1.105 459 T CA 0.818 62.953 62.100 0.059 0.000 1.116 459 T CB -0.499 68.369 68.868 -0.000 0.000 0.878 459 T HN 0.345 nan 8.240 nan 0.000 0.509 460 A N 1.153 124.069 122.820 0.161 0.000 2.019 460 A HA 0.089 4.408 4.320 -0.000 0.000 0.219 460 A C 2.543 180.328 177.584 0.335 0.000 1.164 460 A CA 1.282 53.434 52.037 0.190 0.000 0.644 460 A CB -0.994 18.106 19.000 0.167 0.000 0.805 460 A HN 0.434 nan 8.150 nan 0.000 0.449 461 V N -0.149 119.994 119.914 0.381 0.000 2.287 461 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 461 V C 3.065 179.340 176.094 0.302 0.000 1.053 461 V CA 2.042 64.560 62.300 0.364 0.000 1.027 461 V CB -1.253 30.732 31.823 0.270 0.000 0.646 461 V HN 0.622 nan 8.190 nan 0.000 0.447 462 A N -0.026 122.938 122.820 0.240 0.000 1.877 462 A HA -0.253 4.066 4.320 -0.000 0.000 0.216 462 A C 1.997 179.635 177.584 0.089 0.000 1.186 462 A CA 2.026 54.147 52.037 0.139 0.000 0.620 462 A CB -0.668 18.374 19.000 0.069 0.000 0.822 462 A HN 0.565 nan 8.150 nan 0.000 0.443 463 D N 0.188 120.643 120.400 0.092 0.000 2.117 463 D HA -0.076 4.563 4.640 -0.000 0.000 0.197 463 D C 2.173 178.491 176.300 0.031 0.000 0.987 463 D CA 1.586 55.612 54.000 0.043 0.000 0.829 463 D CB -0.446 40.375 40.800 0.034 0.000 0.961 463 D HN 0.452 nan 8.370 nan 0.000 0.460 464 A N 0.578 123.470 122.820 0.119 0.000 1.929 464 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 464 A C 2.404 179.898 177.584 -0.151 0.000 1.176 464 A CA 0.612 52.681 52.037 0.053 0.000 0.628 464 A CB -0.668 18.604 19.000 0.454 0.000 0.816 464 A HN 0.159 nan 8.150 nan 0.000 0.444 465 L N -0.642 120.607 121.223 0.044 0.000 2.046 465 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 465 L C 3.109 179.920 176.870 -0.098 0.000 1.077 465 L CA 1.070 55.925 54.840 0.025 0.000 0.747 465 L CB -0.542 41.608 42.059 0.151 0.000 0.896 465 L HN 0.430 nan 8.230 nan 0.000 0.432 466 A N 0.067 122.839 122.820 -0.079 0.000 1.883 466 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 466 A C 2.532 180.055 177.584 -0.102 0.000 1.186 466 A CA 1.912 53.892 52.037 -0.094 0.000 0.624 466 A CB -0.801 18.163 19.000 -0.060 0.000 0.822 466 A HN 0.412 nan 8.150 nan 0.000 0.444 467 A N -0.219 122.530 122.820 -0.118 0.000 1.902 467 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 467 A C 2.520 180.009 177.584 -0.159 0.000 1.181 467 A CA 2.181 54.144 52.037 -0.125 0.000 0.623 467 A CB -1.055 17.864 19.000 -0.135 0.000 0.818 467 A HN 1.105 nan 8.150 nan 0.000 0.443 468 A N -0.404 122.253 122.820 -0.271 0.000 1.902 468 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 468 A C 2.081 179.601 177.584 -0.107 0.000 1.181 468 A CA 1.593 53.472 52.037 -0.262 0.000 0.623 468 A CB -0.539 18.189 19.000 -0.455 0.000 0.818 468 A HN 0.476 nan 8.150 nan 0.000 0.443 469 L N -1.407 119.739 121.223 -0.129 0.000 2.418 469 L HA 0.195 4.535 4.340 -0.000 0.000 0.218 469 L C 1.551 178.441 176.870 0.034 0.000 1.125 469 L CA 0.502 55.257 54.840 -0.141 0.000 0.835 469 L CB -0.260 41.553 42.059 -0.411 0.000 0.953 469 L HN 0.582 nan 8.230 nan 0.000 0.454 470 G N 1.260 110.060 108.800 -0.001 0.000 2.256 470 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.272 470 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.272 470 G C 0.039 174.967 174.900 0.046 0.000 1.076 470 G CA 0.268 45.388 45.100 0.034 0.000 0.882 470 G HN 0.263 nan 8.290 nan 0.000 0.497 471 V N -3.023 116.896 119.914 0.008 0.000 2.994 471 V HA 0.943 5.063 4.120 -0.000 0.000 0.318 471 V C 0.419 176.508 176.094 -0.008 0.000 1.085 471 V CA -0.385 61.923 62.300 0.013 0.000 0.998 471 V CB 2.038 33.863 31.823 0.002 0.000 1.063 471 V HN 1.097 nan 8.190 nan 0.000 0.447 472 S N 2.907 118.606 115.700 -0.001 0.000 2.437 472 S HA 0.742 5.212 4.470 -0.000 0.000 0.305 472 S C -0.389 174.203 174.600 -0.014 0.000 1.109 472 S CA -0.308 57.887 58.200 -0.008 0.000 1.099 472 S CB -0.504 62.695 63.200 -0.002 0.000 1.004 472 S HN 1.124 nan 8.310 nan 0.000 0.475 473 L N 0.000 121.211 121.223 -0.021 0.000 2.949 473 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 473 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 473 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 473 L HN 0.000 nan 8.230 nan 0.000 0.502