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 3dg7_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKIVAIGAIP FSIPYTKPLR FASGEVHAAE HVLVRVHTDD GIVGVAEAPP DATA SEQUENCE RPFTYGETQT GIVAVIEQYF APALIGLTLT EREVAHTRMA RTVGNPTAKA DATA SEQUENCE AIDMAMWDAL GQSLRLSVSE MLGGYTDRMR VSHMLGFDDP VKMVAEAERI DATA SEQUENCE RETYGINTFK VKVGRRPVQL DTAVVRALRE RFGDAIELYV DGNRGWSAAE DATA SEQUENCE SLRAMREMAD LDLLFAEELC PADDVLSRRR LVGQLDMPFI ADESVPTPAD DATA SEQUENCE VTREVLGGSA TAISIKTART GFTGSTRVHH LAEGLGLDMV MGNQIDGQIG DATA SEQUENCE TACTVSFGTA FERTSRHAGE LSNFLDMSDD LLTVPLQISD GQLHRRPGPG DATA SEQUENCE LGIEIDPDKL AHYRTD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 K N 1.662 122.061 120.400 -0.001 0.000 2.156 2 K HA 0.623 4.943 4.320 -0.001 0.000 0.271 2 K C -0.575 176.034 176.600 0.015 0.000 0.995 2 K CA -0.477 55.811 56.287 0.003 0.000 0.890 2 K CB 1.349 33.852 32.500 0.004 0.000 1.073 2 K HN 0.359 nan 8.250 nan 0.000 0.454 3 I N 5.578 126.158 120.570 0.017 0.000 2.517 3 I HA -0.061 4.109 4.170 -0.001 0.000 0.285 3 I C 1.296 177.438 176.117 0.041 0.000 1.106 3 I CA -0.186 61.135 61.300 0.035 0.000 1.402 3 I CB 0.981 39.000 38.000 0.033 0.000 1.399 3 I HN 0.556 nan 8.210 nan 0.000 0.535 4 V N 3.236 123.185 119.914 0.058 0.000 3.523 4 V HA 0.592 4.711 4.120 -0.001 0.000 0.255 4 V C 0.623 176.740 176.094 0.038 0.000 1.226 4 V CA 0.464 62.788 62.300 0.041 0.000 1.092 4 V CB 0.053 31.896 31.823 0.034 0.000 0.817 4 V HN 0.743 nan 8.190 nan 0.000 0.458 5 A N -0.141 122.727 122.820 0.079 0.000 2.605 5 A HA 0.829 5.149 4.320 -0.001 0.000 0.294 5 A C -1.426 176.266 177.584 0.179 0.000 1.062 5 A CA -0.494 51.585 52.037 0.071 0.000 0.682 5 A CB 1.444 20.409 19.000 -0.058 0.000 1.278 5 A HN 0.285 nan 8.150 nan 0.000 0.410 6 I N 1.296 121.954 120.570 0.146 0.000 2.512 6 I HA 0.560 4.730 4.170 -0.001 0.000 0.287 6 I C 0.409 176.615 176.117 0.148 0.000 1.069 6 I CA -0.459 60.943 61.300 0.169 0.000 1.056 6 I CB 2.274 40.347 38.000 0.123 0.000 1.229 6 I HN 0.858 nan 8.210 nan 0.000 0.429 7 G N 4.025 112.936 108.800 0.185 0.000 2.473 7 G HA2 0.820 4.780 3.960 -0.001 0.000 0.321 7 G HA3 0.820 4.780 3.960 -0.001 0.000 0.321 7 G C -1.332 173.647 174.900 0.131 0.000 1.200 7 G CA -0.671 44.516 45.100 0.145 0.000 0.963 7 G HN 0.700 nan 8.290 nan 0.000 0.483 8 A N 1.165 124.052 122.820 0.112 0.000 2.375 8 A HA 0.691 5.011 4.320 -0.001 0.000 0.291 8 A C -0.648 177.005 177.584 0.115 0.000 1.160 8 A CA -0.463 51.642 52.037 0.113 0.000 0.747 8 A CB 0.524 19.582 19.000 0.097 0.000 1.170 8 A HN 0.583 nan 8.150 nan 0.000 0.458 9 I N 4.917 125.577 120.570 0.150 0.000 2.355 9 I HA 0.349 4.518 4.170 -0.001 0.000 0.288 9 I C -2.218 174.036 176.117 0.227 0.000 0.999 9 I CA -2.243 59.158 61.300 0.168 0.000 1.163 9 I CB 2.438 40.542 38.000 0.172 0.000 1.316 9 I HN 0.433 nan 8.210 nan 0.000 0.454 10 P HA 0.279 nan 4.420 nan 0.000 0.279 10 P C -1.193 176.238 177.300 0.219 0.000 1.239 10 P CA 0.020 63.188 63.100 0.112 0.000 0.789 10 P CB 0.837 32.568 31.700 0.053 0.000 0.933 11 F N -1.186 118.809 119.950 0.075 0.000 2.645 11 F HA 0.748 5.275 4.527 -0.001 0.000 0.310 11 F C -1.245 174.583 175.800 0.047 0.000 1.102 11 F CA -1.229 56.816 58.000 0.075 0.000 0.952 11 F CB 1.423 40.478 39.000 0.092 0.000 1.326 11 F HN 0.263 nan 8.300 nan 0.000 0.456 12 S N 2.033 117.881 115.700 0.246 0.000 2.614 12 S HA 0.790 5.259 4.470 -0.001 0.000 0.288 12 S C -1.488 173.200 174.600 0.145 0.000 1.137 12 S CA -0.513 57.741 58.200 0.090 0.000 0.992 12 S CB 0.802 64.043 63.200 0.067 0.000 1.026 12 S HN 0.674 nan 8.310 nan 0.000 0.486 13 I N 5.471 126.042 120.570 0.000 0.000 2.447 13 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 13 I C -2.464 173.651 176.117 -0.005 0.000 1.023 13 I CA -2.500 58.704 61.300 -0.160 0.000 1.083 13 I CB 2.434 40.202 38.000 -0.387 0.000 1.245 13 I HN 0.406 nan 8.210 nan 0.000 0.434 14 P HA 0.061 nan 4.420 nan 0.000 0.269 14 P C -1.217 176.168 177.300 0.141 0.000 1.209 14 P CA 0.088 63.276 63.100 0.146 0.000 0.776 14 P CB 0.361 32.150 31.700 0.147 0.000 0.876 15 Y N 0.420 120.749 120.300 0.050 0.000 2.320 15 Y HA 0.121 4.671 4.550 -0.001 0.000 0.324 15 Y C 2.070 178.005 175.900 0.059 0.000 1.190 15 Y CA 0.410 58.537 58.100 0.046 0.000 1.215 15 Y CB 0.544 39.027 38.460 0.038 0.000 1.221 15 Y HN 0.341 nan 8.280 nan 0.000 0.486 16 T N 1.845 116.468 114.554 0.115 0.000 2.821 16 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 16 T C -0.151 174.634 174.700 0.141 0.000 1.046 16 T CA 1.282 63.444 62.100 0.104 0.000 1.139 16 T CB -0.237 68.668 68.868 0.062 0.000 0.871 16 T HN 0.560 nan 8.240 nan 0.000 0.454 17 K N 0.957 121.471 120.400 0.191 0.000 2.550 17 K HA 0.445 4.764 4.320 -0.001 0.000 0.252 17 K C -3.464 173.243 176.600 0.178 0.000 0.943 17 K CA -2.173 54.211 56.287 0.162 0.000 0.806 17 K CB 2.042 34.614 32.500 0.120 0.000 1.289 17 K HN -0.187 nan 8.250 nan 0.000 0.435 18 P HA 0.000 nan 4.420 nan 0.000 0.269 18 P C -0.870 176.316 177.300 -0.190 0.000 1.209 18 P CA -0.556 62.427 63.100 -0.196 0.000 0.776 18 P CB 0.722 32.184 31.700 -0.396 0.000 0.876 19 L N 4.110 125.150 121.223 -0.305 0.000 2.257 19 L HA 0.366 4.705 4.340 -0.001 0.000 0.290 19 L C 0.216 176.937 176.870 -0.248 0.000 1.044 19 L CA -0.253 54.490 54.840 -0.161 0.000 0.810 19 L CB 0.393 42.404 42.059 -0.079 0.000 1.193 19 L HN 0.296 nan 8.230 nan 0.000 0.425 20 R N 5.455 125.801 120.500 -0.256 0.000 2.514 20 R HA 0.767 5.107 4.340 -0.001 0.000 0.301 20 R C -1.238 174.634 176.300 -0.715 0.000 0.962 20 R CA -0.450 55.353 56.100 -0.494 0.000 0.882 20 R CB 1.519 31.666 30.300 -0.255 0.000 1.143 20 R HN 0.625 nan 8.270 nan 0.000 0.452 21 F N -1.622 117.798 119.950 -0.884 0.000 2.789 21 F HA 0.621 5.147 4.527 -0.001 0.000 0.319 21 F C 0.773 176.151 175.800 -0.703 0.000 1.168 21 F CA -1.247 55.965 58.000 -1.313 0.000 0.934 21 F CB 0.579 39.093 39.000 -0.810 0.000 1.375 21 F HN 0.438 nan 8.300 nan 0.000 0.480 22 A N 0.481 123.198 122.820 -0.172 0.000 1.883 22 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 22 A C 2.026 179.582 177.584 -0.048 0.000 1.186 22 A CA 2.765 54.860 52.037 0.097 0.000 0.624 22 A CB -1.554 17.499 19.000 0.088 0.000 0.822 22 A HN 0.984 nan 8.150 nan 0.000 0.444 23 S N -2.166 113.516 115.700 -0.030 0.000 2.527 23 S HA 0.458 4.928 4.470 -0.001 0.000 0.222 23 S C 0.911 175.274 174.600 -0.395 0.000 0.985 23 S CA 0.715 58.859 58.200 -0.092 0.000 0.921 23 S CB -0.106 63.113 63.200 0.032 0.000 0.772 23 S HN 1.497 nan 8.310 nan 0.000 0.529 24 G N -0.328 107.920 108.800 -0.920 0.000 2.335 24 G HA2 0.514 4.474 3.960 -0.001 0.000 0.291 24 G HA3 0.514 4.474 3.960 -0.001 0.000 0.291 24 G C -2.242 171.572 174.900 -1.810 0.000 1.261 24 G CA -0.878 43.478 45.100 -1.240 0.000 0.871 24 G HN 0.235 nan 8.290 nan 0.000 0.491 25 E N -1.591 117.912 120.200 -1.162 0.000 2.390 25 E HA 0.568 4.918 4.350 -0.001 0.000 0.277 25 E C -1.617 174.741 176.600 -0.403 0.000 0.939 25 E CA -0.844 55.026 56.400 -0.884 0.000 0.769 25 E CB 3.206 32.596 29.700 -0.516 0.000 1.251 25 E HN 0.331 nan 8.360 nan 0.000 0.450 26 V N 2.562 122.216 119.914 -0.434 0.000 2.443 26 V HA 0.204 4.323 4.120 -0.001 0.000 0.293 26 V C 0.027 175.734 176.094 -0.645 0.000 1.021 26 V CA -0.534 61.570 62.300 -0.327 0.000 0.848 26 V CB 1.133 32.807 31.823 -0.249 0.000 0.998 26 V HN 0.769 nan 8.190 nan 0.000 0.424 27 H N 2.858 121.802 119.070 -0.210 0.000 2.740 27 H HA 0.617 5.172 4.556 -0.001 0.000 0.265 27 H C 0.549 175.882 175.328 0.009 0.000 0.978 27 H CA 0.841 56.819 56.048 -0.116 0.000 1.198 27 H CB 1.678 31.418 29.762 -0.038 0.000 1.467 27 H HN 0.679 nan 8.280 nan 0.000 0.511 28 A N 0.538 123.416 122.820 0.097 0.000 2.604 28 A HA 0.624 4.943 4.320 -0.001 0.000 0.295 28 A C -1.108 176.574 177.584 0.163 0.000 1.067 28 A CA -0.251 51.929 52.037 0.238 0.000 0.683 28 A CB 0.905 19.994 19.000 0.149 0.000 1.281 28 A HN 0.147 nan 8.150 nan 0.000 0.407 29 A N 1.345 124.248 122.820 0.138 0.000 2.798 29 A HA 0.546 4.866 4.320 -0.001 0.000 0.316 29 A C -0.131 177.187 177.584 -0.443 0.000 1.506 29 A CA -0.198 51.687 52.037 -0.253 0.000 1.162 29 A CB -0.633 18.111 19.000 -0.428 0.000 1.138 29 A HN 0.618 nan 8.150 nan 0.000 0.532 30 E N 2.565 122.647 120.200 -0.197 0.000 2.028 30 E HA 0.164 4.513 4.350 -0.001 0.000 0.275 30 E C -0.362 176.147 176.600 -0.152 0.000 1.171 30 E CA -0.037 56.255 56.400 -0.180 0.000 1.186 30 E CB 0.044 29.718 29.700 -0.044 0.000 1.256 30 E HN 0.846 nan 8.360 nan 0.000 0.474 31 H N -0.499 118.176 119.070 -0.659 0.000 2.580 31 H HA 0.508 5.064 4.556 -0.001 0.000 0.324 31 H C -0.213 174.729 175.328 -0.643 0.000 1.436 31 H CA -1.367 54.304 56.048 -0.628 0.000 1.464 31 H CB 1.421 30.843 29.762 -0.566 0.000 1.752 31 H HN 0.014 nan 8.280 nan 0.000 0.726 32 V N 1.960 121.805 119.914 -0.116 0.000 2.483 32 V HA 0.086 4.205 4.120 -0.001 0.000 0.297 32 V C -0.760 175.490 176.094 0.259 0.000 1.027 32 V CA -0.668 61.665 62.300 0.056 0.000 0.855 32 V CB 1.762 33.611 31.823 0.044 0.000 0.995 32 V HN 0.323 nan 8.190 nan 0.000 0.424 33 L N 6.921 128.401 121.223 0.429 0.000 2.281 33 L HA 0.562 4.901 4.340 -0.001 0.000 0.285 33 L C -0.305 176.678 176.870 0.188 0.000 1.074 33 L CA 0.485 55.531 54.840 0.343 0.000 0.817 33 L CB 1.234 43.453 42.059 0.268 0.000 1.168 33 L HN 0.464 nan 8.230 nan 0.000 0.434 34 V N 6.489 126.482 119.914 0.132 0.000 2.435 34 V HA 0.594 4.714 4.120 -0.001 0.000 0.290 34 V C 0.036 176.168 176.094 0.065 0.000 1.030 34 V CA -0.644 61.714 62.300 0.096 0.000 0.881 34 V CB 1.437 33.302 31.823 0.070 0.000 0.983 34 V HN 0.723 nan 8.190 nan 0.000 0.445 35 R N 3.295 123.835 120.500 0.066 0.000 2.561 35 R HA 0.711 5.051 4.340 -0.001 0.000 0.297 35 R C -1.599 174.692 176.300 -0.014 0.000 0.969 35 R CA -0.756 55.333 56.100 -0.018 0.000 0.879 35 R CB 2.513 32.782 30.300 -0.052 0.000 1.178 35 R HN 0.471 nan 8.270 nan 0.000 0.445 36 V N 3.860 123.721 119.914 -0.088 0.000 2.334 36 V HA 0.229 4.349 4.120 -0.001 0.000 0.281 36 V C -0.668 175.358 176.094 -0.113 0.000 1.016 36 V CA -0.817 61.473 62.300 -0.017 0.000 0.832 36 V CB 1.031 32.859 31.823 0.008 0.000 0.999 36 V HN 0.685 nan 8.190 nan 0.000 0.439 37 H N 2.062 121.147 119.070 0.026 0.000 2.489 37 H HA 0.592 5.148 4.556 -0.001 0.000 0.322 37 H C 0.614 175.950 175.328 0.014 0.000 1.091 37 H CA -0.160 55.900 56.048 0.020 0.000 1.291 37 H CB 1.382 31.156 29.762 0.019 0.000 1.436 37 H HN 0.744 nan 8.280 nan 0.000 0.480 38 T N -1.350 113.264 114.554 0.100 0.000 2.948 38 T HA 0.117 4.466 4.350 -0.001 0.000 0.285 38 T C 0.792 175.527 174.700 0.057 0.000 1.019 38 T CA -0.948 61.188 62.100 0.059 0.000 1.013 38 T CB 1.210 70.093 68.868 0.025 0.000 1.117 38 T HN 0.635 nan 8.240 nan 0.000 0.533 39 D N -0.518 119.903 120.400 0.035 0.000 2.352 39 D HA 0.020 4.659 4.640 -0.001 0.000 0.232 39 D C 0.350 176.663 176.300 0.022 0.000 1.055 39 D CA 0.084 54.101 54.000 0.027 0.000 0.891 39 D CB -0.200 40.611 40.800 0.017 0.000 0.897 39 D HN 0.516 nan 8.370 nan 0.000 0.529 40 D N -0.423 119.991 120.400 0.022 0.000 2.398 40 D HA 0.201 4.841 4.640 -0.001 0.000 0.210 40 D C 1.683 177.996 176.300 0.021 0.000 1.094 40 D CA 0.648 54.658 54.000 0.016 0.000 0.839 40 D CB 0.713 41.518 40.800 0.009 0.000 0.963 40 D HN 0.368 nan 8.370 nan 0.000 0.506 41 G N 1.100 109.921 108.800 0.034 0.000 2.176 41 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.253 41 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.253 41 G C 0.387 175.310 174.900 0.037 0.000 0.979 41 G CA -0.171 44.954 45.100 0.043 0.000 0.641 41 G HN 0.353 nan 8.290 nan 0.000 0.530 42 I N 1.032 121.616 120.570 0.023 0.000 2.519 42 I HA 0.416 4.586 4.170 -0.001 0.000 0.287 42 I C 0.359 176.461 176.117 -0.025 0.000 1.047 42 I CA -0.530 60.772 61.300 0.003 0.000 1.381 42 I CB 1.537 39.537 38.000 0.000 0.000 1.417 42 I HN -0.100 nan 8.210 nan 0.000 0.540 43 V N 5.438 125.314 119.914 -0.063 0.000 2.407 43 V HA 0.485 4.605 4.120 -0.001 0.000 0.291 43 V C 0.456 176.482 176.094 -0.112 0.000 1.018 43 V CA -0.587 61.610 62.300 -0.172 0.000 0.842 43 V CB 1.373 33.058 31.823 -0.230 0.000 0.996 43 V HN 0.897 nan 8.190 nan 0.000 0.426 44 G N 3.157 111.896 108.800 -0.101 0.000 2.389 44 G HA2 0.702 4.662 3.960 -0.001 0.000 0.317 44 G HA3 0.702 4.662 3.960 -0.001 0.000 0.317 44 G C -0.534 174.345 174.900 -0.035 0.000 1.137 44 G CA -0.340 44.743 45.100 -0.028 0.000 0.870 44 G HN 1.038 nan 8.290 nan 0.000 0.496 45 V N -1.193 118.726 119.914 0.008 0.000 3.141 45 V HA 1.033 5.152 4.120 -0.001 0.000 0.312 45 V C -0.073 176.046 176.094 0.041 0.000 1.157 45 V CA -0.492 61.816 62.300 0.014 0.000 1.041 45 V CB 1.343 33.168 31.823 0.004 0.000 1.071 45 V HN 2.018 nan 8.190 nan 0.000 0.441 46 A N 1.648 124.493 122.820 0.042 0.000 2.544 46 A HA 0.796 5.116 4.320 -0.001 0.000 0.291 46 A C -1.070 176.554 177.584 0.066 0.000 1.055 46 A CA -0.176 51.882 52.037 0.035 0.000 0.651 46 A CB 1.365 20.359 19.000 -0.010 0.000 1.296 46 A HN 1.583 nan 8.150 nan 0.000 0.431 47 E N 0.024 120.261 120.200 0.061 0.000 2.299 47 E HA 0.796 5.145 4.350 -0.001 0.000 0.265 47 E C -0.522 176.076 176.600 -0.003 0.000 0.911 47 E CA -0.757 55.710 56.400 0.112 0.000 0.789 47 E CB 2.327 32.167 29.700 0.233 0.000 1.246 47 E HN 1.553 nan 8.360 nan 0.000 0.427 48 A N 2.855 125.661 122.820 -0.024 0.000 2.340 48 A HA 0.482 4.801 4.320 -0.001 0.000 0.297 48 A C -2.553 174.906 177.584 -0.209 0.000 1.195 48 A CA -1.687 50.287 52.037 -0.104 0.000 0.769 48 A CB 0.997 19.966 19.000 -0.051 0.000 1.163 48 A HN 0.521 nan 8.150 nan 0.000 0.472 49 P HA 0.311 nan 4.420 nan 0.000 0.297 49 P C -2.960 174.219 177.300 -0.202 0.000 1.342 49 P CA -1.659 61.131 63.100 -0.517 0.000 0.801 49 P CB 1.247 32.550 31.700 -0.660 0.000 0.920 50 P HA 0.168 nan 4.420 nan 0.000 0.276 50 P C -0.235 176.952 177.300 -0.188 0.000 1.253 50 P CA -0.035 63.003 63.100 -0.104 0.000 0.766 50 P CB 0.695 32.351 31.700 -0.073 0.000 0.845 51 R N 5.551 125.896 120.500 -0.258 0.000 2.494 51 R HA 0.234 4.573 4.340 -0.001 0.000 0.284 51 R C -1.818 174.056 176.300 -0.711 0.000 1.525 51 R CA -1.898 53.798 56.100 -0.673 0.000 1.460 51 R CB 1.098 31.094 30.300 -0.506 0.000 1.134 51 R HN 0.386 nan 8.270 nan 0.000 0.592 52 P HA -0.169 nan 4.420 nan 0.000 0.217 52 P C 0.937 178.078 177.300 -0.265 0.000 1.148 52 P CA 1.348 64.249 63.100 -0.331 0.000 0.828 52 P CB -0.073 31.510 31.700 -0.194 0.000 0.783 53 F N -1.564 118.368 119.950 -0.029 0.000 2.811 53 F HA 0.273 4.800 4.527 -0.001 0.000 0.301 53 F C 1.318 177.057 175.800 -0.101 0.000 1.151 53 F CA 0.249 58.228 58.000 -0.035 0.000 1.412 53 F CB -1.612 37.392 39.000 0.007 0.000 1.113 53 F HN -0.208 nan 8.300 nan 0.000 0.579 54 T N -1.994 112.449 114.554 -0.184 0.000 3.176 54 T HA 0.107 4.457 4.350 -0.001 0.000 0.259 54 T C 0.666 175.048 174.700 -0.531 0.000 0.978 54 T CA 0.585 62.453 62.100 -0.386 0.000 1.050 54 T CB -0.082 68.376 68.868 -0.684 0.000 1.136 54 T HN 0.214 nan 8.240 nan 0.000 0.465 55 Y N 0.386 120.627 120.300 -0.098 0.000 2.432 55 Y HA 0.515 5.064 4.550 -0.001 0.000 0.252 55 Y C 1.812 177.663 175.900 -0.082 0.000 1.097 55 Y CA -0.365 57.686 58.100 -0.081 0.000 1.250 55 Y CB 0.399 38.803 38.460 -0.095 0.000 1.245 55 Y HN 0.340 nan 8.280 nan 0.000 0.522 56 G N 0.565 109.363 108.800 -0.004 0.000 2.157 56 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.248 56 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.248 56 G C 0.027 174.912 174.900 -0.025 0.000 0.979 56 G CA 0.049 45.136 45.100 -0.021 0.000 0.650 56 G HN 0.367 nan 8.290 nan 0.000 0.529 57 E N 0.900 121.090 120.200 -0.016 0.000 2.349 57 E HA 0.536 4.886 4.350 -0.001 0.000 0.265 57 E C 0.679 177.243 176.600 -0.060 0.000 1.064 57 E CA 0.392 56.777 56.400 -0.026 0.000 0.886 57 E CB 0.919 30.614 29.700 -0.009 0.000 1.036 57 E HN 0.429 nan 8.360 nan 0.000 0.413 58 T N -1.590 112.937 114.554 -0.044 0.000 2.924 58 T HA 0.123 4.472 4.350 -0.001 0.000 0.291 58 T C 0.817 175.498 174.700 -0.033 0.000 1.045 58 T CA -0.839 61.234 62.100 -0.045 0.000 1.015 58 T CB 1.818 70.668 68.868 -0.031 0.000 1.103 58 T HN 0.537 nan 8.240 nan 0.000 0.496 59 Q N 0.504 120.286 119.800 -0.030 0.000 2.096 59 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 59 Q C 1.816 177.810 176.000 -0.010 0.000 0.982 59 Q CA 2.318 58.107 55.803 -0.024 0.000 0.850 59 Q CB -0.646 28.076 28.738 -0.028 0.000 0.901 59 Q HN 0.882 nan 8.270 nan 0.000 0.422 60 T N -0.426 114.124 114.554 -0.007 0.000 2.777 60 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 60 T C 1.585 176.285 174.700 0.000 0.000 1.040 60 T CA 1.167 63.267 62.100 0.000 0.000 1.141 60 T CB -0.586 68.281 68.868 -0.001 0.000 0.868 60 T HN 0.591 nan 8.240 nan 0.000 0.444 61 G N 1.057 109.853 108.800 -0.007 0.000 2.422 61 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.218 61 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.218 61 G C 1.531 176.428 174.900 -0.005 0.000 1.146 61 G CA 0.373 45.467 45.100 -0.010 0.000 0.769 61 G HN 0.472 nan 8.290 nan 0.000 0.547 62 I N 0.335 120.906 120.570 0.001 0.000 2.179 62 I HA -0.160 4.009 4.170 -0.001 0.000 0.242 62 I C 2.781 178.922 176.117 0.039 0.000 1.088 62 I CA 0.577 61.890 61.300 0.021 0.000 1.357 62 I CB -0.256 37.750 38.000 0.011 0.000 1.051 62 I HN 0.022 nan 8.210 nan 0.000 0.409 63 V N 1.045 120.979 119.914 0.032 0.000 2.332 63 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 63 V C 2.694 178.808 176.094 0.034 0.000 1.055 63 V CA 2.025 64.350 62.300 0.042 0.000 1.038 63 V CB -1.102 30.744 31.823 0.037 0.000 0.651 63 V HN 0.504 nan 8.190 nan 0.000 0.450 64 A N -0.496 122.337 122.820 0.021 0.000 1.877 64 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 64 A C 2.470 180.070 177.584 0.027 0.000 1.186 64 A CA 2.119 54.168 52.037 0.020 0.000 0.620 64 A CB -0.863 18.149 19.000 0.020 0.000 0.822 64 A HN 0.324 nan 8.150 nan 0.000 0.443 65 V N 0.054 119.966 119.914 -0.004 0.000 2.407 65 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 65 V C 2.274 178.273 176.094 -0.159 0.000 1.055 65 V CA 2.041 64.281 62.300 -0.101 0.000 1.049 65 V CB -0.393 31.274 31.823 -0.259 0.000 0.662 65 V HN 0.570 nan 8.190 nan 0.000 0.455 66 I N -0.286 120.295 120.570 0.019 0.000 2.202 66 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 66 I C 2.514 178.680 176.117 0.082 0.000 1.091 66 I CA 1.887 63.276 61.300 0.149 0.000 1.368 66 I CB -0.376 37.735 38.000 0.184 0.000 1.058 66 I HN 0.381 nan 8.210 nan 0.000 0.410 67 E N 0.355 120.580 120.200 0.040 0.000 2.106 67 E HA -0.235 4.114 4.350 -0.001 0.000 0.192 67 E C 2.118 178.688 176.600 -0.049 0.000 0.984 67 E CA 1.030 57.437 56.400 0.010 0.000 0.806 67 E CB -0.056 29.648 29.700 0.006 0.000 0.750 67 E HN 0.590 nan 8.360 nan 0.000 0.458 68 Q N -1.109 118.637 119.800 -0.090 0.000 2.302 68 Q HA -0.009 4.331 4.340 -0.001 0.000 0.202 68 Q C 0.916 176.611 176.000 -0.507 0.000 0.936 68 Q CA 0.819 56.458 55.803 -0.273 0.000 0.886 68 Q CB 0.367 28.933 28.738 -0.286 0.000 0.986 68 Q HN 0.321 nan 8.270 nan 0.000 0.487 69 Y N -2.563 117.615 120.300 -0.204 0.000 2.817 69 Y HA 0.075 4.625 4.550 -0.000 0.000 0.257 69 Y C 1.530 177.363 175.900 -0.111 0.000 1.055 69 Y CA -0.150 57.803 58.100 -0.245 0.000 1.319 69 Y CB 0.120 38.291 38.460 -0.483 0.000 1.481 69 Y HN -0.057 nan 8.280 nan 0.000 0.471 70 F N 0.366 120.407 119.950 0.152 0.000 2.128 70 F HA -0.043 4.484 4.527 -0.001 0.000 0.295 70 F C 2.485 178.313 175.800 0.046 0.000 1.100 70 F CA 0.879 58.925 58.000 0.077 0.000 1.260 70 F CB -1.396 37.635 39.000 0.052 0.000 1.009 70 F HN 0.036 nan 8.300 nan 0.000 0.476 71 A N 1.253 124.204 122.820 0.218 0.000 1.873 71 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 71 A C 0.008 177.642 177.584 0.083 0.000 1.193 71 A CA 2.085 54.198 52.037 0.127 0.000 0.629 71 A CB -2.291 16.762 19.000 0.088 0.000 0.826 71 A HN 0.280 nan 8.150 nan 0.000 0.447 72 P HA -0.066 nan 4.420 nan 0.000 0.222 72 P C 1.215 178.540 177.300 0.042 0.000 1.147 72 P CA 1.720 64.833 63.100 0.021 0.000 0.790 72 P CB -0.071 31.613 31.700 -0.027 0.000 0.780 73 A N -0.632 122.238 122.820 0.083 0.000 2.081 73 A HA 0.095 4.415 4.320 -0.001 0.000 0.214 73 A C 2.173 179.805 177.584 0.079 0.000 1.158 73 A CA 0.614 52.706 52.037 0.091 0.000 0.724 73 A CB -0.915 18.174 19.000 0.148 0.000 0.826 73 A HN 0.149 nan 8.150 nan 0.000 0.463 74 L N -0.660 120.613 121.223 0.083 0.000 2.515 74 L HA 0.301 4.641 4.340 -0.001 0.000 0.223 74 L C 0.221 177.117 176.870 0.043 0.000 1.079 74 L CA -0.192 54.683 54.840 0.058 0.000 0.857 74 L CB -0.143 41.951 42.059 0.058 0.000 1.050 74 L HN 0.175 nan 8.230 nan 0.000 0.476 75 I N 1.205 121.801 120.570 0.045 0.000 2.752 75 I HA -0.018 4.151 4.170 -0.001 0.000 0.289 75 I C 1.376 177.508 176.117 0.024 0.000 1.197 75 I CA 1.274 62.595 61.300 0.035 0.000 1.432 75 I CB 0.422 38.440 38.000 0.030 0.000 1.359 75 I HN 0.387 nan 8.210 nan 0.000 0.571 76 G N 5.115 113.927 108.800 0.020 0.000 2.259 76 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 76 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 76 G C 0.140 175.045 174.900 0.009 0.000 1.001 76 G CA -0.590 44.518 45.100 0.013 0.000 0.627 76 G HN 0.432 nan 8.290 nan 0.000 0.501 77 L N 2.143 123.371 121.223 0.009 0.000 2.418 77 L HA 0.568 4.908 4.340 -0.001 0.000 0.265 77 L C 1.549 178.414 176.870 -0.008 0.000 1.143 77 L CA 0.050 54.891 54.840 0.000 0.000 0.809 77 L CB 1.094 43.154 42.059 0.001 0.000 1.124 77 L HN 0.432 nan 8.230 nan 0.000 0.456 78 T N -1.490 113.052 114.554 -0.019 0.000 2.881 78 T HA 0.338 4.688 4.350 -0.001 0.000 0.278 78 T C 1.009 175.678 174.700 -0.052 0.000 0.982 78 T CA -0.834 61.248 62.100 -0.029 0.000 0.989 78 T CB 0.881 69.730 68.868 -0.031 0.000 1.058 78 T HN 0.460 nan 8.240 nan 0.000 0.529 79 L N 0.831 122.014 121.223 -0.066 0.000 2.622 79 L HA 0.083 4.422 4.340 -0.001 0.000 0.233 79 L C 1.913 178.687 176.870 -0.161 0.000 1.156 79 L CA 0.820 55.593 54.840 -0.110 0.000 0.866 79 L CB -0.753 41.244 42.059 -0.104 0.000 0.980 79 L HN 0.948 nan 8.230 nan 0.000 0.448 80 T N -4.767 109.716 114.554 -0.118 0.000 3.269 80 T HA 0.219 4.569 4.350 -0.001 0.000 0.269 80 T C 0.530 175.175 174.700 -0.092 0.000 0.993 80 T CA -0.377 61.648 62.100 -0.126 0.000 0.909 80 T CB 0.065 68.878 68.868 -0.092 0.000 1.115 80 T HN 0.230 nan 8.240 nan 0.000 0.543 81 E N 0.584 120.733 120.200 -0.085 0.000 3.575 81 E HA 0.268 4.618 4.350 -0.001 0.000 0.201 81 E C 1.220 177.792 176.600 -0.047 0.000 0.999 81 E CA -0.348 56.022 56.400 -0.050 0.000 1.315 81 E CB 0.515 30.198 29.700 -0.029 0.000 1.146 81 E HN 0.333 nan 8.360 nan 0.000 0.453 82 R N 0.772 121.223 120.500 -0.082 0.000 2.117 82 R HA -0.142 4.198 4.340 -0.001 0.000 0.243 82 R C 1.590 177.905 176.300 0.026 0.000 1.143 82 R CA 1.059 57.125 56.100 -0.056 0.000 0.968 82 R CB 0.087 30.317 30.300 -0.116 0.000 0.863 82 R HN 0.127 nan 8.270 nan 0.000 0.444 83 E N 0.235 120.446 120.200 0.018 0.000 2.204 83 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 83 E C 2.074 178.722 176.600 0.081 0.000 0.989 83 E CA 0.785 57.217 56.400 0.054 0.000 0.824 83 E CB 0.046 29.759 29.700 0.022 0.000 0.756 83 E HN 0.167 nan 8.360 nan 0.000 0.477 84 V N 1.267 121.207 119.914 0.044 0.000 2.323 84 V HA -0.176 3.944 4.120 -0.001 0.000 0.244 84 V C 2.430 178.548 176.094 0.041 0.000 1.041 84 V CA 1.630 63.953 62.300 0.038 0.000 1.025 84 V CB -0.790 31.044 31.823 0.019 0.000 0.656 84 V HN 0.216 nan 8.190 nan 0.000 0.451 85 A N -0.691 122.150 122.820 0.034 0.000 1.902 85 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 85 A C 2.263 179.856 177.584 0.015 0.000 1.181 85 A CA 2.001 54.048 52.037 0.016 0.000 0.623 85 A CB -0.938 18.064 19.000 0.002 0.000 0.818 85 A HN 0.690 nan 8.150 nan 0.000 0.443 86 H N -0.161 118.888 119.070 -0.033 0.000 2.319 86 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 86 H C 2.011 177.320 175.328 -0.031 0.000 1.092 86 H CA 2.138 58.164 56.048 -0.037 0.000 1.302 86 H CB -0.125 29.633 29.762 -0.007 0.000 1.373 86 H HN 0.435 nan 8.280 nan 0.000 0.497 87 T N 0.886 115.475 114.554 0.059 0.000 2.777 87 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 87 T C 2.228 176.916 174.700 -0.020 0.000 1.040 87 T CA 1.033 63.144 62.100 0.017 0.000 1.141 87 T CB -0.025 68.882 68.868 0.065 0.000 0.868 87 T HN 0.381 nan 8.240 nan 0.000 0.444 88 R N 0.532 121.032 120.500 -0.000 0.000 2.073 88 R HA 0.084 4.423 4.340 -0.001 0.000 0.234 88 R C 2.604 178.922 176.300 0.029 0.000 1.134 88 R CA 1.280 57.395 56.100 0.025 0.000 0.952 88 R CB -0.333 29.994 30.300 0.045 0.000 0.850 88 R HN 0.387 nan 8.270 nan 0.000 0.433 89 M N 0.021 119.589 119.600 -0.053 0.000 2.213 89 M HA -0.092 4.388 4.480 -0.001 0.000 0.263 89 M C 2.370 178.625 176.300 -0.076 0.000 1.062 89 M CA 1.421 56.650 55.300 -0.118 0.000 1.105 89 M CB -0.239 32.087 32.600 -0.457 0.000 1.385 89 M HN 0.218 nan 8.290 nan 0.000 0.417 90 A N 0.078 122.802 122.820 -0.160 0.000 2.125 90 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 90 A C 2.015 179.573 177.584 -0.043 0.000 1.156 90 A CA 1.114 53.064 52.037 -0.145 0.000 0.671 90 A CB -0.518 18.361 19.000 -0.201 0.000 0.794 90 A HN 0.341 nan 8.150 nan 0.000 0.459 91 R N 0.055 120.558 120.500 0.004 0.000 2.189 91 R HA -0.026 4.313 4.340 -0.001 0.000 0.223 91 R C -0.111 176.201 176.300 0.020 0.000 1.092 91 R CA 0.780 56.892 56.100 0.021 0.000 0.989 91 R CB -0.802 29.525 30.300 0.045 0.000 0.876 91 R HN 0.399 nan 8.270 nan 0.000 0.457 92 T N 1.365 115.953 114.554 0.056 0.000 2.767 92 T HA 0.312 4.662 4.350 -0.001 0.000 0.284 92 T C 0.015 174.724 174.700 0.014 0.000 0.973 92 T CA -0.412 61.701 62.100 0.021 0.000 0.996 92 T CB 2.471 71.391 68.868 0.088 0.000 0.927 92 T HN -0.256 nan 8.240 nan 0.000 0.456 93 V N 3.697 123.591 119.914 -0.033 0.000 2.775 93 V HA 0.586 4.705 4.120 -0.001 0.000 0.299 93 V C 1.386 177.464 176.094 -0.027 0.000 1.062 93 V CA 0.832 63.113 62.300 -0.032 0.000 1.063 93 V CB 0.483 32.283 31.823 -0.038 0.000 0.994 93 V HN 1.241 nan 8.190 nan 0.000 0.483 94 G N 3.669 112.450 108.800 -0.030 0.000 2.547 94 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.271 94 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.271 94 G C 0.224 175.107 174.900 -0.027 0.000 1.209 94 G CA 0.163 45.242 45.100 -0.036 0.000 0.959 94 G HN 1.181 nan 8.290 nan 0.000 0.563 95 N N 0.096 118.781 118.700 -0.024 0.000 2.705 95 N HA -0.165 4.574 4.740 -0.001 0.000 0.255 95 N C -0.887 174.585 175.510 -0.064 0.000 1.008 95 N CA 1.170 54.223 53.050 0.005 0.000 0.742 95 N CB -0.467 38.100 38.487 0.133 0.000 0.906 95 N HN 0.581 nan 8.380 nan 0.000 0.541 96 P HA -0.234 nan 4.420 nan 0.000 0.214 96 P C 1.599 178.714 177.300 -0.308 0.000 1.163 96 P CA 2.273 65.175 63.100 -0.330 0.000 0.883 96 P CB -0.232 31.097 31.700 -0.618 0.000 0.788 97 T N -2.633 111.740 114.554 -0.302 0.000 2.915 97 T HA 0.061 4.410 4.350 -0.001 0.000 0.269 97 T C 2.104 176.725 174.700 -0.131 0.000 1.071 97 T CA 1.153 63.123 62.100 -0.216 0.000 1.132 97 T CB -1.035 67.733 68.868 -0.168 0.000 0.878 97 T HN 0.057 nan 8.240 nan 0.000 0.479 98 A N 2.250 125.032 122.820 -0.063 0.000 1.873 98 A HA -0.000 4.319 4.320 -0.001 0.000 0.215 98 A C 2.449 179.995 177.584 -0.063 0.000 1.186 98 A CA 1.491 53.547 52.037 0.032 0.000 0.616 98 A CB -0.528 18.598 19.000 0.210 0.000 0.823 98 A HN 0.574 nan 8.150 nan 0.000 0.442 99 K N -0.248 120.040 120.400 -0.186 0.000 2.025 99 K HA -0.020 4.300 4.320 -0.001 0.000 0.207 99 K C 2.334 178.780 176.600 -0.257 0.000 1.049 99 K CA 1.100 57.154 56.287 -0.387 0.000 0.933 99 K CB -0.339 31.918 32.500 -0.406 0.000 0.714 99 K HN 0.416 nan 8.250 nan 0.000 0.438 100 A N 1.670 124.355 122.820 -0.224 0.000 1.902 100 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 100 A C 2.400 179.856 177.584 -0.213 0.000 1.181 100 A CA 1.912 53.811 52.037 -0.230 0.000 0.623 100 A CB -0.755 18.087 19.000 -0.263 0.000 0.818 100 A HN 0.340 nan 8.150 nan 0.000 0.443 101 A N -0.076 122.648 122.820 -0.160 0.000 1.902 101 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 101 A C 2.134 179.676 177.584 -0.070 0.000 1.181 101 A CA 1.566 53.539 52.037 -0.107 0.000 0.623 101 A CB -0.607 18.362 19.000 -0.052 0.000 0.818 101 A HN 0.506 nan 8.150 nan 0.000 0.443 102 I N -0.437 120.091 120.570 -0.070 0.000 2.226 102 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 102 I C 2.309 178.417 176.117 -0.016 0.000 1.100 102 I CA 1.961 63.237 61.300 -0.040 0.000 1.374 102 I CB -0.411 37.541 38.000 -0.080 0.000 1.057 102 I HN 0.448 nan 8.210 nan 0.000 0.413 103 D N 0.869 121.250 120.400 -0.033 0.000 2.097 103 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 103 D C 2.333 178.763 176.300 0.216 0.000 0.989 103 D CA 1.536 55.588 54.000 0.087 0.000 0.827 103 D CB 0.042 40.885 40.800 0.073 0.000 0.966 103 D HN 0.179 nan 8.370 nan 0.000 0.456 104 M N -0.064 119.521 119.600 -0.025 0.000 2.175 104 M HA -0.029 4.450 4.480 -0.001 0.000 0.264 104 M C 2.347 178.764 176.300 0.195 0.000 1.063 104 M CA 1.242 56.503 55.300 -0.064 0.000 1.119 104 M CB -0.169 32.109 32.600 -0.536 0.000 1.377 104 M HN 0.124 nan 8.290 nan 0.000 0.415 105 A N 0.302 123.178 122.820 0.094 0.000 1.930 105 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 105 A C 2.137 179.789 177.584 0.114 0.000 1.175 105 A CA 1.406 53.497 52.037 0.090 0.000 0.627 105 A CB -0.550 18.473 19.000 0.039 0.000 0.815 105 A HN 0.437 nan 8.150 nan 0.000 0.443 106 M N -2.446 117.225 119.600 0.118 0.000 2.132 106 M HA -0.175 4.305 4.480 -0.001 0.000 0.263 106 M C 2.086 178.436 176.300 0.085 0.000 1.065 106 M CA 1.451 56.786 55.300 0.059 0.000 1.122 106 M CB -0.329 32.272 32.600 0.001 0.000 1.365 106 M HN 0.650 nan 8.290 nan 0.000 0.411 107 W N 0.828 122.204 121.300 0.128 0.000 2.388 107 W HA -0.196 4.464 4.660 -0.001 0.000 0.294 107 W C 2.126 178.712 176.519 0.112 0.000 1.212 107 W CA 1.472 58.914 57.345 0.161 0.000 1.271 107 W CB -0.453 29.221 29.460 0.356 0.000 1.126 107 W HN 0.301 nan 8.180 nan 0.000 0.535 108 D N -0.242 120.370 120.400 0.353 0.000 2.097 108 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 108 D C 2.200 178.569 176.300 0.115 0.000 0.989 108 D CA 2.061 56.187 54.000 0.209 0.000 0.827 108 D CB -0.488 40.411 40.800 0.165 0.000 0.966 108 D HN -0.013 nan 8.370 nan 0.000 0.456 109 A N 0.046 122.914 122.820 0.080 0.000 1.902 109 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 109 A C 2.196 179.790 177.584 0.017 0.000 1.181 109 A CA 1.408 53.461 52.037 0.028 0.000 0.623 109 A CB -0.916 18.086 19.000 0.004 0.000 0.818 109 A HN 0.383 nan 8.150 nan 0.000 0.443 110 L N 0.148 121.376 121.223 0.008 0.000 2.017 110 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 110 L C 2.426 179.303 176.870 0.011 0.000 1.073 110 L CA 2.435 57.256 54.840 -0.031 0.000 0.745 110 L CB -1.113 40.869 42.059 -0.129 0.000 0.894 110 L HN 0.301 nan 8.230 nan 0.000 0.432 111 G N -1.560 107.280 108.800 0.067 0.000 2.440 111 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 111 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 111 G C 1.469 176.389 174.900 0.034 0.000 1.154 111 G CA 0.806 45.945 45.100 0.065 0.000 0.767 111 G HN 0.554 nan 8.290 nan 0.000 0.552 112 Q N 0.289 120.108 119.800 0.032 0.000 2.084 112 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 112 Q C 3.002 179.007 176.000 0.008 0.000 0.978 112 Q CA 1.471 57.285 55.803 0.018 0.000 0.844 112 Q CB -0.136 28.611 28.738 0.015 0.000 0.898 112 Q HN 0.446 nan 8.270 nan 0.000 0.426 113 S N 0.778 116.480 115.700 0.004 0.000 2.399 113 S HA -0.056 4.413 4.470 -0.001 0.000 0.231 113 S C 1.716 176.313 174.600 -0.005 0.000 1.022 113 S CA 0.908 59.106 58.200 -0.003 0.000 0.983 113 S CB 0.004 63.197 63.200 -0.012 0.000 0.803 113 S HN 0.295 nan 8.310 nan 0.000 0.480 114 L N -0.004 121.217 121.223 -0.003 0.000 2.640 114 L HA 0.339 4.678 4.340 -0.001 0.000 0.230 114 L C 0.326 177.195 176.870 -0.001 0.000 1.123 114 L CA -0.089 54.749 54.840 -0.004 0.000 0.900 114 L CB -0.113 41.943 42.059 -0.005 0.000 1.146 114 L HN 0.119 nan 8.230 nan 0.000 0.484 115 R N 0.618 121.119 120.500 0.002 0.000 3.423 115 R HA -0.127 4.213 4.340 -0.001 0.000 0.271 115 R C -0.927 175.373 176.300 0.000 0.000 1.093 115 R CA 0.406 56.507 56.100 0.001 0.000 0.730 115 R CB -1.971 28.327 30.300 -0.003 0.000 1.190 115 R HN 0.281 nan 8.270 nan 0.000 0.437 116 L N -0.062 121.165 121.223 0.006 0.000 2.401 116 L HA 0.435 4.774 4.340 -0.001 0.000 0.266 116 L C 0.747 177.621 176.870 0.008 0.000 0.991 116 L CA -0.942 53.900 54.840 0.003 0.000 0.818 116 L CB 2.217 44.281 42.059 0.008 0.000 1.321 116 L HN 0.180 nan 8.230 nan 0.000 0.413 117 S N 0.633 116.326 115.700 -0.012 0.000 2.585 117 S HA 0.229 4.698 4.470 -0.001 0.000 0.273 117 S C 1.028 175.604 174.600 -0.041 0.000 1.339 117 S CA -0.820 57.365 58.200 -0.026 0.000 1.028 117 S CB 1.649 64.820 63.200 -0.048 0.000 0.906 117 S HN 0.344 nan 8.310 nan 0.000 0.528 118 V N 2.093 121.964 119.914 -0.072 0.000 2.343 118 V HA -0.153 3.967 4.120 -0.001 0.000 0.247 118 V C 2.908 178.818 176.094 -0.306 0.000 1.051 118 V CA 2.277 64.473 62.300 -0.173 0.000 1.036 118 V CB -1.270 30.336 31.823 -0.363 0.000 0.654 118 V HN 1.059 nan 8.190 nan 0.000 0.451 119 S N 0.405 115.939 115.700 -0.275 0.000 2.359 119 S HA -0.295 4.175 4.470 -0.001 0.000 0.223 119 S C 2.080 176.517 174.600 -0.271 0.000 1.039 119 S CA 2.286 60.308 58.200 -0.297 0.000 1.042 119 S CB -0.343 62.735 63.200 -0.204 0.000 0.915 119 S HN 0.886 nan 8.310 nan 0.000 0.439 120 E N 0.215 120.309 120.200 -0.176 0.000 2.106 120 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 120 E C 2.204 178.729 176.600 -0.126 0.000 0.984 120 E CA 1.150 57.463 56.400 -0.145 0.000 0.806 120 E CB -0.466 29.179 29.700 -0.092 0.000 0.750 120 E HN 0.550 nan 8.360 nan 0.000 0.458 121 M N 0.664 120.219 119.600 -0.075 0.000 2.213 121 M HA -0.077 4.402 4.480 -0.001 0.000 0.263 121 M C 2.265 178.553 176.300 -0.020 0.000 1.062 121 M CA 1.260 56.575 55.300 0.025 0.000 1.105 121 M CB -0.182 32.538 32.600 0.201 0.000 1.385 121 M HN 0.161 nan 8.290 nan 0.000 0.417 122 L N -1.240 119.851 121.223 -0.221 0.000 2.313 122 L HA 0.001 4.340 4.340 -0.001 0.000 0.214 122 L C 1.790 178.352 176.870 -0.513 0.000 1.119 122 L CA 1.024 55.639 54.840 -0.375 0.000 0.809 122 L CB -0.183 41.503 42.059 -0.622 0.000 0.933 122 L HN 0.569 nan 8.230 nan 0.000 0.449 123 G N -2.637 105.887 108.800 -0.459 0.000 3.751 123 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.216 123 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.216 123 G C 0.882 175.597 174.900 -0.308 0.000 0.911 123 G CA -0.111 44.718 45.100 -0.451 0.000 0.869 123 G HN 0.249 nan 8.290 nan 0.000 0.462 124 G N 0.153 108.762 108.800 -0.318 0.000 2.356 124 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.296 124 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.296 124 G C 0.770 175.573 174.900 -0.161 0.000 1.022 124 G CA 1.234 46.207 45.100 -0.212 0.000 0.961 124 G HN 1.232 nan 8.290 nan 0.000 0.510 125 Y N 0.025 120.162 120.300 -0.272 0.000 2.145 125 Y HA 0.173 4.723 4.550 -0.000 0.000 0.286 125 Y C 1.837 177.657 175.900 -0.133 0.000 1.145 125 Y CA 2.516 60.506 58.100 -0.183 0.000 1.148 125 Y CB 0.246 38.604 38.460 -0.170 0.000 0.981 125 Y HN 0.478 nan 8.280 nan 0.000 0.507 126 T N -1.866 112.609 114.554 -0.132 0.000 2.696 126 T HA 0.251 4.600 4.350 -0.001 0.000 0.291 126 T C -0.605 174.023 174.700 -0.120 0.000 1.095 126 T CA -0.170 61.827 62.100 -0.171 0.000 1.026 126 T CB 1.249 70.069 68.868 -0.080 0.000 1.390 126 T HN 0.290 nan 8.240 nan 0.000 0.513 127 D N 0.068 120.398 120.400 -0.117 0.000 2.469 127 D HA 0.191 4.831 4.640 -0.001 0.000 0.213 127 D C 0.500 176.713 176.300 -0.144 0.000 1.135 127 D CA -0.270 53.673 54.000 -0.094 0.000 0.834 127 D CB 0.279 41.052 40.800 -0.046 0.000 1.009 127 D HN 0.728 nan 8.370 nan 0.000 0.507 128 R N -1.417 118.972 120.500 -0.184 0.000 2.716 128 R HA 0.652 4.992 4.340 -0.001 0.000 0.271 128 R C -1.574 174.650 176.300 -0.127 0.000 1.028 128 R CA -0.900 55.048 56.100 -0.254 0.000 0.883 128 R CB 0.978 30.911 30.300 -0.611 0.000 1.250 128 R HN -0.071 nan 8.270 nan 0.000 0.465 129 M N 1.086 120.635 119.600 -0.085 0.000 2.572 129 M HA 0.511 4.990 4.480 -0.001 0.000 0.299 129 M C -0.475 175.816 176.300 -0.014 0.000 1.205 129 M CA -1.035 54.252 55.300 -0.021 0.000 0.876 129 M CB 2.977 35.590 32.600 0.022 0.000 1.728 129 M HN 0.498 nan 8.290 nan 0.000 0.458 130 R N 0.576 121.079 120.500 0.005 0.000 2.582 130 R HA 0.537 4.877 4.340 -0.001 0.000 0.271 130 R C -0.987 175.324 176.300 0.017 0.000 1.078 130 R CA -0.416 55.689 56.100 0.008 0.000 1.127 130 R CB 0.916 31.226 30.300 0.016 0.000 1.038 130 R HN 0.398 nan 8.270 nan 0.000 0.500 131 V N 1.234 121.146 119.914 -0.002 0.000 2.483 131 V HA 0.246 4.366 4.120 -0.001 0.000 0.295 131 V C -0.003 176.053 176.094 -0.063 0.000 1.035 131 V CA -0.399 61.892 62.300 -0.014 0.000 0.896 131 V CB 1.724 33.533 31.823 -0.023 0.000 0.986 131 V HN 0.751 nan 8.190 nan 0.000 0.447 132 S N 2.625 118.303 115.700 -0.038 0.000 2.473 132 S HA 0.582 5.051 4.470 -0.001 0.000 0.307 132 S C -1.077 173.471 174.600 -0.086 0.000 1.094 132 S CA -0.530 57.628 58.200 -0.070 0.000 1.070 132 S CB 0.765 64.014 63.200 0.082 0.000 1.019 132 S HN 0.874 nan 8.310 nan 0.000 0.480 133 H N 4.054 122.944 119.070 -0.300 0.000 2.466 133 H HA 0.525 5.081 4.556 -0.001 0.000 0.338 133 H C -0.388 174.913 175.328 -0.044 0.000 1.091 133 H CA -0.528 55.420 56.048 -0.167 0.000 1.207 133 H CB 0.924 30.603 29.762 -0.137 0.000 1.466 133 H HN 0.624 nan 8.280 nan 0.000 0.493 134 M N 6.095 125.329 119.600 -0.610 0.000 2.120 134 M HA 0.199 4.679 4.480 -0.001 0.000 0.354 134 M C -0.711 175.328 176.300 -0.436 0.000 1.287 134 M CA -0.212 54.825 55.300 -0.437 0.000 1.103 134 M CB 0.770 33.146 32.600 -0.374 0.000 1.623 134 M HN 0.377 nan 8.290 nan 0.000 0.471 135 L N 3.430 124.554 121.223 -0.165 0.000 2.255 135 L HA 0.467 4.807 4.340 -0.001 0.000 0.289 135 L C 0.868 177.702 176.870 -0.060 0.000 1.046 135 L CA -0.533 54.281 54.840 -0.043 0.000 0.816 135 L CB 0.878 42.961 42.059 0.040 0.000 1.197 135 L HN 0.788 nan 8.230 nan 0.000 0.427 136 G N 2.168 110.934 108.800 -0.056 0.000 2.599 136 G HA2 0.342 4.301 3.960 -0.001 0.000 0.264 136 G HA3 0.342 4.301 3.960 -0.001 0.000 0.264 136 G C -0.227 174.706 174.900 0.056 0.000 1.200 136 G CA -0.568 44.478 45.100 -0.091 0.000 0.896 136 G HN 0.212 nan 8.290 nan 0.000 0.536 137 F N 0.231 120.162 119.950 -0.031 0.000 2.589 137 F HA 0.351 4.877 4.527 -0.001 0.000 0.352 137 F C 0.906 176.691 175.800 -0.025 0.000 1.168 137 F CA -0.169 57.808 58.000 -0.037 0.000 1.353 137 F CB 0.340 39.303 39.000 -0.061 0.000 1.116 137 F HN 0.391 nan 8.300 nan 0.000 0.608 138 D N -0.548 119.965 120.400 0.188 0.000 3.036 138 D HA 0.019 4.658 4.640 -0.001 0.000 0.295 138 D C -1.800 174.533 176.300 0.055 0.000 1.180 138 D CA -0.650 53.408 54.000 0.097 0.000 0.726 138 D CB 1.004 41.854 40.800 0.083 0.000 1.270 138 D HN 0.265 nan 8.370 nan 0.000 0.445 139 D N 1.434 121.856 120.400 0.036 0.000 2.472 139 D HA 0.123 4.763 4.640 -0.001 0.000 0.237 139 D C -1.398 174.916 176.300 0.023 0.000 1.141 139 D CA -0.696 53.316 54.000 0.020 0.000 0.875 139 D CB 0.409 41.219 40.800 0.017 0.000 1.192 139 D HN 0.093 nan 8.370 nan 0.000 0.450 140 P HA -0.225 nan 4.420 nan 0.000 0.214 140 P C 1.629 178.937 177.300 0.015 0.000 1.169 140 P CA 1.632 64.741 63.100 0.015 0.000 0.908 140 P CB 0.022 31.727 31.700 0.008 0.000 0.791 141 V N -1.828 118.091 119.914 0.009 0.000 2.392 141 V HA -0.280 3.840 4.120 -0.001 0.000 0.249 141 V C 1.957 178.059 176.094 0.013 0.000 1.059 141 V CA 1.873 64.177 62.300 0.006 0.000 1.051 141 V CB -1.534 30.291 31.823 0.002 0.000 0.658 141 V HN 0.088 nan 8.190 nan 0.000 0.455 142 K N -0.212 120.201 120.400 0.021 0.000 2.097 142 K HA 0.046 4.365 4.320 -0.001 0.000 0.205 142 K C 2.222 178.844 176.600 0.037 0.000 1.050 142 K CA 1.813 58.118 56.287 0.030 0.000 0.938 142 K CB -0.291 32.230 32.500 0.036 0.000 0.718 142 K HN 0.476 nan 8.250 nan 0.000 0.442 143 M N 0.416 120.038 119.600 0.037 0.000 2.132 143 M HA -0.139 4.341 4.480 -0.001 0.000 0.263 143 M C 2.188 178.499 176.300 0.017 0.000 1.065 143 M CA 1.199 56.522 55.300 0.038 0.000 1.122 143 M CB -0.158 32.469 32.600 0.045 0.000 1.365 143 M HN -0.085 nan 8.290 nan 0.000 0.411 144 V N 0.442 120.367 119.914 0.018 0.000 2.343 144 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 144 V C 2.638 178.756 176.094 0.040 0.000 1.051 144 V CA 2.000 64.315 62.300 0.025 0.000 1.036 144 V CB -1.255 30.571 31.823 0.005 0.000 0.654 144 V HN 0.513 nan 8.190 nan 0.000 0.451 145 A N -0.007 122.830 122.820 0.029 0.000 1.933 145 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 145 A C 2.194 179.808 177.584 0.050 0.000 1.175 145 A CA 2.060 54.118 52.037 0.037 0.000 0.628 145 A CB -0.489 18.527 19.000 0.027 0.000 0.814 145 A HN 0.561 nan 8.150 nan 0.000 0.444 146 E N 0.354 120.581 120.200 0.044 0.000 2.077 146 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 146 E C 2.005 178.627 176.600 0.038 0.000 0.989 146 E CA 1.636 58.071 56.400 0.058 0.000 0.800 146 E CB -0.484 29.265 29.700 0.082 0.000 0.746 146 E HN 0.462 nan 8.360 nan 0.000 0.452 147 A N 0.556 123.338 122.820 -0.063 0.000 1.902 147 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 147 A C 2.231 179.766 177.584 -0.082 0.000 1.181 147 A CA 1.772 53.591 52.037 -0.364 0.000 0.623 147 A CB -0.684 17.882 19.000 -0.725 0.000 0.818 147 A HN 0.427 nan 8.150 nan 0.000 0.443 148 E N -0.480 119.837 120.200 0.194 0.000 2.072 148 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 148 E C 2.304 179.008 176.600 0.174 0.000 0.985 148 E CA 1.139 57.745 56.400 0.342 0.000 0.801 148 E CB -0.139 29.707 29.700 0.244 0.000 0.750 148 E HN 0.587 nan 8.360 nan 0.000 0.452 149 R N 0.464 121.029 120.500 0.108 0.000 2.073 149 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 149 R C 2.367 178.710 176.300 0.072 0.000 1.134 149 R CA 1.676 57.816 56.100 0.067 0.000 0.952 149 R CB -0.312 30.020 30.300 0.054 0.000 0.850 149 R HN 0.235 nan 8.270 nan 0.000 0.433 150 I N 0.253 120.897 120.570 0.124 0.000 2.226 150 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 150 I C 2.821 179.074 176.117 0.226 0.000 1.100 150 I CA 1.322 62.740 61.300 0.198 0.000 1.374 150 I CB -0.275 37.809 38.000 0.139 0.000 1.057 150 I HN 0.263 nan 8.210 nan 0.000 0.413 151 R N 0.776 121.423 120.500 0.243 0.000 2.075 151 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 151 R C 2.217 178.579 176.300 0.104 0.000 1.126 151 R CA 1.273 57.484 56.100 0.185 0.000 0.963 151 R CB 0.018 30.407 30.300 0.149 0.000 0.858 151 R HN 0.213 nan 8.270 nan 0.000 0.435 152 E N -0.201 120.051 120.200 0.087 0.000 2.072 152 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 152 E C 1.944 178.513 176.600 -0.053 0.000 0.985 152 E CA 1.717 58.139 56.400 0.035 0.000 0.801 152 E CB -0.248 29.476 29.700 0.040 0.000 0.750 152 E HN 0.380 nan 8.360 nan 0.000 0.452 153 T N 0.128 114.595 114.554 -0.145 0.000 2.770 153 T HA -0.103 4.246 4.350 -0.001 0.000 0.263 153 T C 1.299 175.686 174.700 -0.521 0.000 1.039 153 T CA 1.189 63.038 62.100 -0.418 0.000 1.142 153 T CB -0.225 68.206 68.868 -0.729 0.000 0.868 153 T HN 0.195 nan 8.240 nan 0.000 0.435 154 Y N -0.073 120.220 120.300 -0.011 0.000 2.444 154 Y HA 0.461 5.010 4.550 -0.001 0.000 0.249 154 Y C 1.863 177.756 175.900 -0.011 0.000 1.134 154 Y CA -0.343 57.747 58.100 -0.017 0.000 1.261 154 Y CB 0.148 38.576 38.460 -0.053 0.000 1.143 154 Y HN 0.303 nan 8.280 nan 0.000 0.523 155 G N 1.131 109.990 108.800 0.099 0.000 2.148 155 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.254 155 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.254 155 G C 0.136 175.057 174.900 0.035 0.000 0.981 155 G CA 0.032 45.170 45.100 0.065 0.000 0.670 155 G HN 0.324 nan 8.290 nan 0.000 0.528 156 I N 0.674 121.253 120.570 0.015 0.000 2.587 156 I HA 0.092 4.262 4.170 -0.001 0.000 0.284 156 I C 1.179 177.168 176.117 -0.214 0.000 1.134 156 I CA 0.532 61.750 61.300 -0.136 0.000 1.410 156 I CB 0.473 38.325 38.000 -0.247 0.000 1.392 156 I HN 0.207 nan 8.210 nan 0.000 0.545 157 N N 3.101 121.684 118.700 -0.195 0.000 2.187 157 N HA 0.116 4.855 4.740 -0.001 0.000 0.212 157 N C -0.693 174.731 175.510 -0.144 0.000 1.152 157 N CA -0.019 52.960 53.050 -0.118 0.000 0.872 157 N CB 0.746 39.221 38.487 -0.020 0.000 1.025 157 N HN 0.523 nan 8.380 nan 0.000 0.514 158 T N 0.398 114.746 114.554 -0.342 0.000 2.848 158 T HA 0.456 4.805 4.350 -0.001 0.000 0.285 158 T C -1.218 173.209 174.700 -0.455 0.000 0.995 158 T CA -0.323 61.672 62.100 -0.174 0.000 0.970 158 T CB 1.168 70.040 68.868 0.007 0.000 0.976 158 T HN -0.100 nan 8.240 nan 0.000 0.441 159 F N 1.921 121.895 119.950 0.039 0.000 2.547 159 F HA 0.523 5.049 4.527 -0.001 0.000 0.316 159 F C 0.227 175.889 175.800 -0.230 0.000 1.121 159 F CA -1.057 56.910 58.000 -0.056 0.000 0.911 159 F CB 2.059 41.028 39.000 -0.051 0.000 1.179 159 F HN 0.268 nan 8.300 nan 0.000 0.443 160 K N 3.506 123.746 120.400 -0.268 0.000 2.316 160 K HA 0.607 4.927 4.320 -0.001 0.000 0.267 160 K C -1.383 175.045 176.600 -0.288 0.000 1.025 160 K CA -0.429 55.456 56.287 -0.669 0.000 0.896 160 K CB 1.003 32.923 32.500 -0.966 0.000 1.124 160 K HN 0.517 nan 8.250 nan 0.000 0.451 161 V N 5.329 125.138 119.914 -0.176 0.000 2.488 161 V HA 0.139 4.258 4.120 -0.001 0.000 0.277 161 V C 0.243 176.288 176.094 -0.081 0.000 1.046 161 V CA -0.608 61.651 62.300 -0.069 0.000 0.986 161 V CB 0.959 32.786 31.823 0.007 0.000 0.989 161 V HN 0.657 nan 8.190 nan 0.000 0.475 162 K N 4.496 124.862 120.400 -0.056 0.000 2.339 162 K HA 0.411 4.731 4.320 -0.001 0.000 0.286 162 K C -0.061 176.654 176.600 0.192 0.000 1.050 162 K CA 0.105 56.361 56.287 -0.052 0.000 0.956 162 K CB 1.415 33.783 32.500 -0.220 0.000 0.990 162 K HN 0.669 nan 8.250 nan 0.000 0.475 163 V N -1.543 118.408 119.914 0.060 0.000 3.119 163 V HA 0.899 5.019 4.120 -0.001 0.000 0.309 163 V C 0.659 176.545 176.094 -0.346 0.000 1.304 163 V CA -0.113 62.130 62.300 -0.096 0.000 1.057 163 V CB 1.337 32.955 31.823 -0.342 0.000 1.150 163 V HN 0.807 nan 8.190 nan 0.000 0.474 164 G N 0.041 108.212 108.800 -1.048 0.000 2.148 164 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.157 164 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.157 164 G C 0.100 174.762 174.900 -0.396 0.000 1.012 164 G CA 0.091 44.473 45.100 -1.197 0.000 0.677 164 G HN 0.857 nan 8.290 nan 0.000 0.506 165 R N -0.433 119.975 120.500 -0.154 0.000 2.607 165 R HA 0.819 5.158 4.340 -0.001 0.000 0.261 165 R C 0.199 176.636 176.300 0.229 0.000 1.051 165 R CA -0.635 55.411 56.100 -0.090 0.000 1.110 165 R CB 0.922 30.979 30.300 -0.405 0.000 1.158 165 R HN 0.186 nan 8.270 nan 0.000 0.543 166 R N 0.846 121.394 120.500 0.079 0.000 2.621 166 R HA 0.374 4.713 4.340 -0.001 0.000 0.292 166 R C -2.295 174.010 176.300 0.009 0.000 0.969 166 R CA -1.788 54.356 56.100 0.073 0.000 0.887 166 R CB 1.497 31.836 30.300 0.064 0.000 1.180 166 R HN 0.444 nan 8.270 nan 0.000 0.450 167 P HA 0.051 nan 4.420 nan 0.000 0.272 167 P C 0.747 178.052 177.300 0.008 0.000 1.240 167 P CA -0.545 62.549 63.100 -0.009 0.000 0.791 167 P CB 0.692 32.376 31.700 -0.026 0.000 0.978 168 V N 0.284 120.157 119.914 -0.068 0.000 2.407 168 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 168 V C 2.104 178.182 176.094 -0.025 0.000 1.055 168 V CA 1.746 63.972 62.300 -0.123 0.000 1.049 168 V CB -0.965 30.566 31.823 -0.487 0.000 0.662 168 V HN 0.534 nan 8.190 nan 0.000 0.455 169 Q N -0.513 119.260 119.800 -0.045 0.000 2.248 169 Q HA -0.215 4.125 4.340 -0.001 0.000 0.208 169 Q C 1.973 177.981 176.000 0.014 0.000 0.984 169 Q CA 1.403 57.195 55.803 -0.018 0.000 0.875 169 Q CB -0.686 28.037 28.738 -0.026 0.000 0.910 169 Q HN 0.602 nan 8.270 nan 0.000 0.433 170 L N 0.428 121.664 121.223 0.021 0.000 2.017 170 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 170 L C 1.200 178.094 176.870 0.041 0.000 1.073 170 L CA 2.023 56.871 54.840 0.014 0.000 0.745 170 L CB -0.522 41.529 42.059 -0.014 0.000 0.894 170 L HN 0.122 nan 8.230 nan 0.000 0.432 171 D N -1.115 119.348 120.400 0.105 0.000 2.137 171 D HA -0.118 4.522 4.640 -0.001 0.000 0.202 171 D C 2.178 178.569 176.300 0.150 0.000 0.970 171 D CA 1.806 55.897 54.000 0.152 0.000 0.837 171 D CB -0.332 40.654 40.800 0.309 0.000 0.981 171 D HN 0.556 nan 8.370 nan 0.000 0.475 172 T N -0.702 113.935 114.554 0.138 0.000 2.881 172 T HA -0.016 4.334 4.350 -0.001 0.000 0.270 172 T C 2.059 176.797 174.700 0.063 0.000 1.068 172 T CA 1.282 63.440 62.100 0.097 0.000 1.131 172 T CB -0.191 68.704 68.868 0.046 0.000 0.871 172 T HN 0.067 nan 8.240 nan 0.000 0.479 173 A N 0.955 123.803 122.820 0.047 0.000 1.929 173 A HA 0.183 4.502 4.320 -0.001 0.000 0.216 173 A C 2.584 180.189 177.584 0.036 0.000 1.176 173 A CA 1.165 53.221 52.037 0.031 0.000 0.628 173 A CB -0.891 18.120 19.000 0.018 0.000 0.816 173 A HN 0.407 nan 8.150 nan 0.000 0.444 174 V N -0.271 119.671 119.914 0.046 0.000 2.261 174 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 174 V C 2.591 178.718 176.094 0.055 0.000 1.047 174 V CA 2.077 64.405 62.300 0.046 0.000 1.015 174 V CB -0.791 31.064 31.823 0.054 0.000 0.642 174 V HN 0.369 nan 8.190 nan 0.000 0.446 175 V N 0.090 120.048 119.914 0.073 0.000 2.332 175 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 175 V C 2.533 178.672 176.094 0.074 0.000 1.055 175 V CA 2.482 64.831 62.300 0.081 0.000 1.038 175 V CB -0.851 31.032 31.823 0.100 0.000 0.651 175 V HN 0.505 nan 8.190 nan 0.000 0.450 176 R N 0.225 120.761 120.500 0.060 0.000 2.092 176 R HA -0.126 4.213 4.340 -0.001 0.000 0.231 176 R C 2.287 178.610 176.300 0.038 0.000 1.119 176 R CA 1.521 57.649 56.100 0.048 0.000 0.970 176 R CB -0.422 29.899 30.300 0.035 0.000 0.864 176 R HN 0.484 nan 8.270 nan 0.000 0.440 177 A N 0.989 123.828 122.820 0.031 0.000 1.902 177 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 177 A C 2.157 179.753 177.584 0.020 0.000 1.181 177 A CA 1.166 53.211 52.037 0.012 0.000 0.623 177 A CB -0.517 18.486 19.000 0.006 0.000 0.818 177 A HN 0.340 nan 8.150 nan 0.000 0.443 178 L N -1.227 120.035 121.223 0.065 0.000 2.046 178 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 178 L C 2.768 179.756 176.870 0.196 0.000 1.077 178 L CA 1.729 56.659 54.840 0.150 0.000 0.747 178 L CB -0.395 41.744 42.059 0.132 0.000 0.896 178 L HN 0.360 nan 8.230 nan 0.000 0.432 179 R N 0.623 121.202 120.500 0.132 0.000 2.115 179 R HA -0.145 4.194 4.340 -0.001 0.000 0.230 179 R C 2.001 178.349 176.300 0.082 0.000 1.111 179 R CA 1.451 57.627 56.100 0.126 0.000 0.976 179 R CB -0.229 30.127 30.300 0.094 0.000 0.870 179 R HN 0.409 nan 8.270 nan 0.000 0.445 180 E N -0.749 119.472 120.200 0.034 0.000 2.107 180 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 180 E C 1.925 178.489 176.600 -0.060 0.000 0.982 180 E CA 0.928 57.325 56.400 -0.005 0.000 0.809 180 E CB -0.095 29.596 29.700 -0.015 0.000 0.756 180 E HN 0.096 nan 8.360 nan 0.000 0.459 181 R N 0.524 120.946 120.500 -0.130 0.000 2.073 181 R HA -0.081 4.259 4.340 -0.001 0.000 0.229 181 R C 1.357 177.368 176.300 -0.481 0.000 1.120 181 R CA 1.494 57.373 56.100 -0.368 0.000 0.967 181 R CB -0.238 29.712 30.300 -0.584 0.000 0.862 181 R HN 0.109 nan 8.270 nan 0.000 0.436 182 F N -0.523 119.436 119.950 0.015 0.000 2.731 182 F HA 0.426 4.952 4.527 -0.001 0.000 0.298 182 F C 1.548 177.374 175.800 0.044 0.000 1.106 182 F CA 0.433 58.454 58.000 0.035 0.000 1.329 182 F CB 0.091 39.123 39.000 0.054 0.000 1.100 182 F HN 0.326 nan 8.300 nan 0.000 0.592 183 G N 1.593 110.494 108.800 0.169 0.000 2.564 183 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.273 183 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.273 183 G C 0.611 175.594 174.900 0.138 0.000 1.242 183 G CA 0.324 45.496 45.100 0.121 0.000 0.951 183 G HN 0.394 nan 8.290 nan 0.000 0.564 184 D N 0.897 121.360 120.400 0.105 0.000 2.336 184 D HA 0.335 4.975 4.640 -0.001 0.000 0.229 184 D C 1.952 178.313 176.300 0.102 0.000 1.061 184 D CA 1.215 55.271 54.000 0.094 0.000 0.875 184 D CB -0.261 40.579 40.800 0.066 0.000 0.904 184 D HN 0.945 nan 8.370 nan 0.000 0.525 185 A N 0.922 123.821 122.820 0.131 0.000 2.167 185 A HA 0.203 4.523 4.320 -0.001 0.000 0.214 185 A C 1.436 179.090 177.584 0.117 0.000 1.151 185 A CA 0.177 52.290 52.037 0.126 0.000 0.735 185 A CB -0.441 18.654 19.000 0.158 0.000 0.802 185 A HN 0.564 nan 8.150 nan 0.000 0.467 186 I N -4.389 116.261 120.570 0.133 0.000 2.892 186 I HA 0.619 4.788 4.170 -0.001 0.000 0.306 186 I C -0.973 175.223 176.117 0.133 0.000 1.078 186 I CA -1.012 60.359 61.300 0.120 0.000 1.032 186 I CB 1.891 39.962 38.000 0.119 0.000 1.229 186 I HN -0.070 nan 8.210 nan 0.000 0.435 187 E N 4.030 124.312 120.200 0.138 0.000 2.231 187 E HA 0.675 5.025 4.350 -0.001 0.000 0.277 187 E C -1.297 175.445 176.600 0.237 0.000 0.999 187 E CA -0.766 55.729 56.400 0.158 0.000 0.827 187 E CB 2.594 32.383 29.700 0.149 0.000 1.101 187 E HN 0.451 nan 8.360 nan 0.000 0.393 188 L N 3.323 124.693 121.223 0.245 0.000 2.422 188 L HA 0.557 4.896 4.340 -0.001 0.000 0.264 188 L C -1.015 176.071 176.870 0.360 0.000 0.984 188 L CA -0.930 54.074 54.840 0.274 0.000 0.819 188 L CB 1.124 43.297 42.059 0.190 0.000 1.330 188 L HN 0.651 nan 8.230 nan 0.000 0.410 189 Y N 1.100 121.469 120.300 0.114 0.000 2.670 189 Y HA 0.854 5.403 4.550 -0.001 0.000 0.334 189 Y C -1.099 174.848 175.900 0.078 0.000 1.185 189 Y CA -1.396 56.770 58.100 0.109 0.000 1.053 189 Y CB 1.561 40.137 38.460 0.193 0.000 1.298 189 Y HN 0.255 nan 8.280 nan 0.000 0.459 190 V N -1.030 118.971 119.914 0.147 0.000 2.914 190 V HA 0.727 4.846 4.120 -0.001 0.000 0.314 190 V C -1.694 174.365 176.094 -0.058 0.000 1.084 190 V CA -0.564 61.733 62.300 -0.005 0.000 0.963 190 V CB 1.983 33.839 31.823 0.054 0.000 1.025 190 V HN 0.891 nan 8.190 nan 0.000 0.432 191 D N 1.853 122.167 120.400 -0.143 0.000 2.686 191 D HA 0.549 5.188 4.640 -0.001 0.000 0.249 191 D C 0.643 176.811 176.300 -0.219 0.000 1.260 191 D CA 0.243 54.134 54.000 -0.181 0.000 0.910 191 D CB 1.969 42.642 40.800 -0.211 0.000 1.323 191 D HN 0.884 nan 8.370 nan 0.000 0.561 192 G N 2.552 111.204 108.800 -0.246 0.000 2.939 192 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.210 192 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.210 192 G C 0.603 175.375 174.900 -0.214 0.000 1.160 192 G CA -0.381 44.508 45.100 -0.352 0.000 0.770 192 G HN 0.727 nan 8.290 nan 0.000 0.543 193 N N 0.462 119.070 118.700 -0.152 0.000 2.714 193 N HA -0.226 4.513 4.740 -0.001 0.000 0.252 193 N C 0.757 176.241 175.510 -0.043 0.000 1.014 193 N CA 0.687 53.677 53.050 -0.099 0.000 0.735 193 N CB -0.584 37.848 38.487 -0.091 0.000 0.924 193 N HN 0.587 nan 8.380 nan 0.000 0.540 194 R N -4.754 115.737 120.500 -0.015 0.000 3.953 194 R HA -0.241 4.098 4.340 -0.001 0.000 0.340 194 R C 1.410 177.730 176.300 0.034 0.000 1.195 194 R CA 0.850 56.972 56.100 0.037 0.000 0.929 194 R CB -2.260 28.064 30.300 0.040 0.000 1.402 194 R HN 0.521 nan 8.270 nan 0.000 0.540 195 G N 0.078 108.857 108.800 -0.035 0.000 2.421 195 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.217 195 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.217 195 G C 0.314 175.273 174.900 0.099 0.000 1.143 195 G CA 0.484 45.563 45.100 -0.036 0.000 0.784 195 G HN 0.174 nan 8.290 nan 0.000 0.541 196 W N 0.892 122.233 121.300 0.069 0.000 2.415 196 W HA 0.620 5.280 4.660 -0.001 0.000 0.355 196 W C 0.702 177.254 176.519 0.054 0.000 1.161 196 W CA -1.578 55.800 57.345 0.054 0.000 1.315 196 W CB 0.617 30.112 29.460 0.058 0.000 1.261 196 W HN 0.086 nan 8.180 nan 0.000 0.636 197 S N 0.248 116.113 115.700 0.275 0.000 2.645 197 S HA 0.502 4.972 4.470 -0.001 0.000 0.266 197 S C 0.936 175.630 174.600 0.156 0.000 1.258 197 S CA -0.025 58.269 58.200 0.156 0.000 0.990 197 S CB 1.320 64.572 63.200 0.085 0.000 0.967 197 S HN 0.542 nan 8.310 nan 0.000 0.556 198 A N 1.268 124.151 122.820 0.105 0.000 1.933 198 A HA 0.141 4.461 4.320 -0.001 0.000 0.218 198 A C 2.358 179.975 177.584 0.054 0.000 1.175 198 A CA 1.767 53.857 52.037 0.089 0.000 0.628 198 A CB -1.671 17.353 19.000 0.040 0.000 0.814 198 A HN 1.308 nan 8.150 nan 0.000 0.444 199 A N -0.134 122.700 122.820 0.023 0.000 1.902 199 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 199 A C 1.917 179.466 177.584 -0.058 0.000 1.181 199 A CA 1.635 53.664 52.037 -0.013 0.000 0.623 199 A CB -0.514 18.476 19.000 -0.017 0.000 0.818 199 A HN 0.638 nan 8.150 nan 0.000 0.443 200 E N -0.099 120.051 120.200 -0.083 0.000 2.106 200 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 200 E C 2.292 178.675 176.600 -0.362 0.000 0.984 200 E CA 1.205 57.453 56.400 -0.254 0.000 0.806 200 E CB -0.157 29.356 29.700 -0.311 0.000 0.750 200 E HN 0.572 nan 8.360 nan 0.000 0.458 201 S N 1.151 116.793 115.700 -0.097 0.000 2.370 201 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 201 S C 1.930 176.541 174.600 0.019 0.000 1.033 201 S CA 0.825 59.075 58.200 0.083 0.000 1.011 201 S CB -0.216 63.190 63.200 0.343 0.000 0.852 201 S HN 0.143 nan 8.310 nan 0.000 0.457 202 L N 1.945 123.174 121.223 0.010 0.000 2.017 202 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 202 L C 2.221 179.067 176.870 -0.040 0.000 1.073 202 L CA 1.690 56.536 54.840 0.010 0.000 0.745 202 L CB -0.455 41.608 42.059 0.006 0.000 0.894 202 L HN 0.109 nan 8.230 nan 0.000 0.432 203 R N -0.615 119.826 120.500 -0.099 0.000 2.096 203 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 203 R C 2.260 178.471 176.300 -0.148 0.000 1.127 203 R CA 1.269 57.298 56.100 -0.119 0.000 0.968 203 R CB -0.663 29.549 30.300 -0.146 0.000 0.861 203 R HN 0.533 nan 8.270 nan 0.000 0.440 204 A N 0.979 123.647 122.820 -0.255 0.000 1.877 204 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 204 A C 2.103 179.654 177.584 -0.055 0.000 1.186 204 A CA 1.258 53.140 52.037 -0.259 0.000 0.620 204 A CB -0.272 18.343 19.000 -0.642 0.000 0.822 204 A HN 0.092 nan 8.150 nan 0.000 0.443 205 M N -0.609 118.996 119.600 0.009 0.000 2.159 205 M HA -0.057 4.423 4.480 -0.001 0.000 0.263 205 M C 2.097 178.421 176.300 0.040 0.000 1.063 205 M CA 1.164 56.507 55.300 0.072 0.000 1.110 205 M CB -1.244 31.425 32.600 0.115 0.000 1.374 205 M HN 0.316 nan 8.290 nan 0.000 0.411 206 R N 0.268 120.775 120.500 0.011 0.000 2.081 206 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 206 R C 2.013 178.314 176.300 0.002 0.000 1.131 206 R CA 1.359 57.463 56.100 0.006 0.000 0.960 206 R CB -0.689 29.605 30.300 -0.009 0.000 0.856 206 R HN 0.588 nan 8.270 nan 0.000 0.436 207 E N 0.373 120.566 120.200 -0.012 0.000 2.204 207 E HA -0.108 4.242 4.350 -0.001 0.000 0.194 207 E C 1.136 177.744 176.600 0.013 0.000 0.989 207 E CA 0.954 57.349 56.400 -0.009 0.000 0.824 207 E CB 0.112 29.795 29.700 -0.029 0.000 0.756 207 E HN 0.221 nan 8.360 nan 0.000 0.477 208 M N -0.128 119.490 119.600 0.029 0.000 2.475 208 M HA 0.277 4.756 4.480 -0.001 0.000 0.261 208 M C 1.538 177.866 176.300 0.047 0.000 1.177 208 M CA 0.049 55.378 55.300 0.048 0.000 0.979 208 M CB 0.963 33.609 32.600 0.076 0.000 1.482 208 M HN 0.136 nan 8.290 nan 0.000 0.484 209 A N 1.436 124.277 122.820 0.035 0.000 2.076 209 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 209 A C 1.668 179.270 177.584 0.029 0.000 1.160 209 A CA 1.890 53.946 52.037 0.032 0.000 0.653 209 A CB -0.446 18.568 19.000 0.023 0.000 0.801 209 A HN 0.645 nan 8.150 nan 0.000 0.455 210 D N -0.548 119.869 120.400 0.028 0.000 2.339 210 D HA 0.061 4.701 4.640 -0.001 0.000 0.217 210 D C 1.093 177.414 176.300 0.035 0.000 1.050 210 D CA 0.063 54.079 54.000 0.027 0.000 0.856 210 D CB -0.329 40.484 40.800 0.022 0.000 0.922 210 D HN 0.485 nan 8.370 nan 0.000 0.518 211 L N 0.152 121.402 121.223 0.044 0.000 2.611 211 L HA 0.107 4.447 4.340 -0.001 0.000 0.229 211 L C 0.086 176.991 176.870 0.058 0.000 1.137 211 L CA -0.195 54.678 54.840 0.055 0.000 0.901 211 L CB -0.576 41.524 42.059 0.067 0.000 1.098 211 L HN -0.137 nan 8.230 nan 0.000 0.456 212 D N 1.572 121.997 120.400 0.043 0.000 2.735 212 D HA -0.209 4.430 4.640 -0.001 0.000 0.235 212 D C -0.155 176.166 176.300 0.035 0.000 1.175 212 D CA 0.500 54.519 54.000 0.030 0.000 0.683 212 D CB -0.763 40.054 40.800 0.029 0.000 1.008 212 D HN 0.182 nan 8.370 nan 0.000 0.416 213 L N 1.221 122.471 121.223 0.045 0.000 2.367 213 L HA 0.141 4.480 4.340 -0.001 0.000 0.275 213 L C 2.004 178.862 176.870 -0.019 0.000 1.129 213 L CA -0.695 54.184 54.840 0.066 0.000 0.839 213 L CB 0.711 42.832 42.059 0.103 0.000 1.133 213 L HN 0.227 nan 8.230 nan 0.000 0.453 214 L N 3.141 124.323 121.223 -0.067 0.000 2.179 214 L HA 0.059 4.399 4.340 -0.001 0.000 0.208 214 L C -0.141 176.279 176.870 -0.750 0.000 1.096 214 L CA 1.130 55.717 54.840 -0.422 0.000 0.779 214 L CB -0.031 41.728 42.059 -0.500 0.000 0.922 214 L HN 0.403 nan 8.230 nan 0.000 0.443 215 F N -1.527 118.407 119.950 -0.025 0.000 2.686 215 F HA 0.632 5.158 4.527 -0.001 0.000 0.311 215 F C -0.328 175.481 175.800 0.014 0.000 1.128 215 F CA -1.066 56.898 58.000 -0.058 0.000 0.946 215 F CB 1.403 40.281 39.000 -0.202 0.000 1.336 215 F HN -0.397 nan 8.300 nan 0.000 0.457 216 A N 1.194 124.092 122.820 0.130 0.000 2.343 216 A HA 0.674 4.994 4.320 -0.001 0.000 0.308 216 A C -1.253 176.066 177.584 -0.443 0.000 1.092 216 A CA -0.517 51.471 52.037 -0.083 0.000 0.751 216 A CB 1.313 20.285 19.000 -0.047 0.000 1.203 216 A HN 0.749 nan 8.150 nan 0.000 0.452 217 E N 2.342 122.329 120.200 -0.356 0.000 2.165 217 E HA 0.353 4.703 4.350 -0.001 0.000 0.266 217 E C -0.591 175.775 176.600 -0.390 0.000 0.889 217 E CA -0.489 55.658 56.400 -0.422 0.000 0.756 217 E CB 0.576 30.170 29.700 -0.176 0.000 1.131 217 E HN 0.610 nan 8.360 nan 0.000 0.411 218 E N 3.856 123.829 120.200 -0.379 0.000 2.165 218 E HA -0.249 4.100 4.350 -0.001 0.000 0.203 218 E C 0.817 177.445 176.600 0.046 0.000 1.335 218 E CA 0.459 56.855 56.400 -0.008 0.000 0.708 218 E CB -1.117 28.572 29.700 -0.018 0.000 1.105 218 E HN 0.728 nan 8.360 nan 0.000 0.346 219 L N -1.622 119.685 121.223 0.139 0.000 2.083 219 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 219 L C 1.706 178.738 176.870 0.269 0.000 1.083 219 L CA 1.803 56.771 54.840 0.214 0.000 0.752 219 L CB -0.313 42.007 42.059 0.434 0.000 0.899 219 L HN 0.537 nan 8.230 nan 0.000 0.433 220 C N -4.005 115.490 119.300 0.326 0.000 2.913 220 C HA 0.659 5.118 4.460 -0.001 0.000 0.322 220 C C -2.674 172.418 174.990 0.171 0.000 1.292 220 C CA -2.610 56.547 59.018 0.232 0.000 1.649 220 C CB 1.330 29.199 27.740 0.214 0.000 2.139 220 C HN -0.128 nan 8.230 nan 0.000 0.475 221 P HA 0.251 nan 4.420 nan 0.000 0.267 221 P C 0.492 177.835 177.300 0.073 0.000 1.205 221 P CA 0.560 63.711 63.100 0.084 0.000 0.765 221 P CB 0.610 32.349 31.700 0.065 0.000 0.828 222 A N 3.286 126.147 122.820 0.069 0.000 2.067 222 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 222 A C 1.450 179.050 177.584 0.027 0.000 1.158 222 A CA 1.420 53.486 52.037 0.047 0.000 0.661 222 A CB -0.818 18.215 19.000 0.055 0.000 0.801 222 A HN 0.417 nan 8.150 nan 0.000 0.452 223 D N 0.470 120.889 120.400 0.032 0.000 2.363 223 D HA -0.001 4.639 4.640 -0.001 0.000 0.220 223 D C -0.353 175.959 176.300 0.020 0.000 0.994 223 D CA 0.539 54.553 54.000 0.024 0.000 0.890 223 D CB -0.117 40.699 40.800 0.026 0.000 0.906 223 D HN 0.251 nan 8.370 nan 0.000 0.530 224 D N 0.233 120.647 120.400 0.023 0.000 2.896 224 D HA 0.040 4.680 4.640 -0.001 0.000 0.240 224 D C 1.627 177.930 176.300 0.005 0.000 1.193 224 D CA -0.171 53.841 54.000 0.020 0.000 0.983 224 D CB 0.428 41.247 40.800 0.031 0.000 1.074 224 D HN -0.150 nan 8.370 nan 0.000 0.496 225 V N 0.488 120.403 119.914 0.001 0.000 2.230 225 V HA -0.364 3.756 4.120 -0.001 0.000 0.256 225 V C 2.512 178.595 176.094 -0.020 0.000 1.064 225 V CA 1.672 63.967 62.300 -0.009 0.000 1.050 225 V CB -0.588 31.232 31.823 -0.005 0.000 0.666 225 V HN 0.481 nan 8.190 nan 0.000 0.457 226 L N 0.696 121.910 121.223 -0.014 0.000 2.056 226 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 226 L C 2.721 179.576 176.870 -0.025 0.000 1.078 226 L CA 1.936 56.764 54.840 -0.019 0.000 0.749 226 L CB -0.841 41.211 42.059 -0.012 0.000 0.901 226 L HN 0.626 nan 8.230 nan 0.000 0.433 227 S N -0.016 115.674 115.700 -0.017 0.000 2.402 227 S HA -0.218 4.252 4.470 -0.001 0.000 0.229 227 S C 1.999 176.576 174.600 -0.038 0.000 1.021 227 S CA 0.961 59.150 58.200 -0.018 0.000 0.974 227 S CB -0.314 62.885 63.200 -0.001 0.000 0.800 227 S HN 0.311 nan 8.310 nan 0.000 0.484 228 R N 1.909 122.379 120.500 -0.049 0.000 2.073 228 R HA 0.091 4.431 4.340 -0.001 0.000 0.234 228 R C 2.429 178.630 176.300 -0.166 0.000 1.134 228 R CA 1.579 57.615 56.100 -0.106 0.000 0.952 228 R CB -0.558 29.691 30.300 -0.085 0.000 0.850 228 R HN 0.454 nan 8.270 nan 0.000 0.433 229 R N -0.330 120.103 120.500 -0.112 0.000 2.096 229 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 229 R C 2.540 178.783 176.300 -0.095 0.000 1.127 229 R CA 1.727 57.762 56.100 -0.107 0.000 0.968 229 R CB -0.376 29.885 30.300 -0.064 0.000 0.861 229 R HN 0.230 nan 8.270 nan 0.000 0.440 230 R N 0.820 121.278 120.500 -0.069 0.000 2.075 230 R HA -0.132 4.208 4.340 -0.001 0.000 0.232 230 R C 2.249 178.516 176.300 -0.056 0.000 1.126 230 R CA 1.147 57.217 56.100 -0.049 0.000 0.963 230 R CB -0.267 30.015 30.300 -0.031 0.000 0.858 230 R HN 0.124 nan 8.270 nan 0.000 0.435 231 L N 0.491 121.668 121.223 -0.076 0.000 2.017 231 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 231 L C 2.017 178.826 176.870 -0.102 0.000 1.073 231 L CA 1.636 56.436 54.840 -0.067 0.000 0.745 231 L CB -0.506 41.514 42.059 -0.065 0.000 0.894 231 L HN 0.005 nan 8.230 nan 0.000 0.432 232 V N 0.354 120.126 119.914 -0.237 0.000 2.392 232 V HA -0.239 3.881 4.120 -0.001 0.000 0.249 232 V C 2.556 178.612 176.094 -0.064 0.000 1.059 232 V CA 1.843 63.999 62.300 -0.239 0.000 1.051 232 V CB -1.584 30.033 31.823 -0.344 0.000 0.658 232 V HN 0.672 nan 8.190 nan 0.000 0.455 233 G N -1.475 107.291 108.800 -0.057 0.000 2.534 233 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 233 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 233 G C 1.419 176.319 174.900 -0.000 0.000 1.128 233 G CA 0.311 45.399 45.100 -0.020 0.000 0.784 233 G HN 0.568 nan 8.290 nan 0.000 0.542 234 Q N -0.695 119.106 119.800 0.003 0.000 2.398 234 Q HA 0.273 4.613 4.340 -0.001 0.000 0.204 234 Q C 0.378 176.403 176.000 0.041 0.000 0.932 234 Q CA -0.062 55.752 55.803 0.018 0.000 0.916 234 Q CB 0.312 29.059 28.738 0.015 0.000 1.024 234 Q HN 0.354 nan 8.270 nan 0.000 0.504 235 L N 1.194 122.456 121.223 0.065 0.000 2.312 235 L HA 0.127 4.466 4.340 -0.001 0.000 0.281 235 L C 0.528 177.447 176.870 0.082 0.000 1.070 235 L CA -0.669 54.229 54.840 0.097 0.000 0.805 235 L CB 0.974 43.139 42.059 0.177 0.000 1.174 235 L HN -0.027 nan 8.230 nan 0.000 0.434 236 D N 1.753 122.192 120.400 0.065 0.000 2.084 236 D HA -0.076 4.564 4.640 -0.001 0.000 0.196 236 D C 1.077 177.405 176.300 0.046 0.000 0.985 236 D CA 1.239 55.266 54.000 0.044 0.000 0.826 236 D CB 0.024 40.841 40.800 0.027 0.000 0.978 236 D HN 0.408 nan 8.370 nan 0.000 0.456 237 M N 0.875 120.504 119.600 0.048 0.000 2.198 237 M HA 0.341 4.821 4.480 -0.001 0.000 0.315 237 M C -2.574 173.790 176.300 0.107 0.000 1.134 237 M CA -1.466 53.849 55.300 0.025 0.000 1.171 237 M CB -0.837 31.747 32.600 -0.026 0.000 1.413 237 M HN -0.345 nan 8.290 nan 0.000 0.467 238 P HA 0.188 nan 4.420 nan 0.000 0.269 238 P C -1.464 176.020 177.300 0.306 0.000 1.209 238 P CA 0.126 63.369 63.100 0.239 0.000 0.776 238 P CB 0.129 32.020 31.700 0.319 0.000 0.876 239 F N 3.781 123.805 119.950 0.124 0.000 2.332 239 F HA 0.409 4.936 4.527 0.001 0.000 0.368 239 F C -0.025 175.806 175.800 0.051 0.000 1.110 239 F CA -0.745 57.314 58.000 0.100 0.000 1.087 239 F CB 0.192 39.236 39.000 0.073 0.000 1.235 239 F HN 0.139 nan 8.300 nan 0.000 0.470 240 I N 6.092 126.577 120.570 -0.141 0.000 2.452 240 I HA 0.230 4.400 4.170 -0.001 0.000 0.287 240 I C 0.411 176.496 176.117 -0.053 0.000 1.079 240 I CA -0.218 61.001 61.300 -0.135 0.000 1.387 240 I CB 0.655 38.489 38.000 -0.277 0.000 1.404 240 I HN 0.648 nan 8.210 nan 0.000 0.522 241 A N 5.059 127.909 122.820 0.050 0.000 2.309 241 A HA 0.371 4.690 4.320 -0.001 0.000 0.298 241 A C -0.049 177.536 177.584 0.002 0.000 1.165 241 A CA -0.338 51.749 52.037 0.084 0.000 0.821 241 A CB 1.177 20.237 19.000 0.100 0.000 1.102 241 A HN 0.781 nan 8.150 nan 0.000 0.500 242 D N 0.015 120.414 120.400 -0.002 0.000 3.028 242 D HA -0.045 4.594 4.640 -0.001 0.000 0.205 242 D C 1.589 177.891 176.300 0.004 0.000 1.489 242 D CA 0.682 54.667 54.000 -0.026 0.000 1.452 242 D CB -0.143 40.615 40.800 -0.070 0.000 1.052 242 D HN 0.516 nan 8.370 nan 0.000 0.221 243 E N 0.893 121.080 120.200 -0.023 0.000 2.265 243 E HA -0.112 4.238 4.350 -0.001 0.000 0.196 243 E C 1.583 178.203 176.600 0.032 0.000 0.996 243 E CA 1.364 57.749 56.400 -0.026 0.000 0.832 243 E CB -0.415 29.224 29.700 -0.101 0.000 0.756 243 E HN 0.265 nan 8.360 nan 0.000 0.491 244 S N 0.756 116.479 115.700 0.039 0.000 2.562 244 S HA 0.053 4.522 4.470 -0.001 0.000 0.221 244 S C 1.296 175.925 174.600 0.048 0.000 0.975 244 S CA 0.221 58.450 58.200 0.049 0.000 0.918 244 S CB -0.007 63.228 63.200 0.058 0.000 0.772 244 S HN 0.245 nan 8.310 nan 0.000 0.531 245 V N -1.494 118.449 119.914 0.048 0.000 2.572 245 V HA 0.499 4.619 4.120 -0.001 0.000 0.274 245 V C -2.006 174.107 176.094 0.032 0.000 1.075 245 V CA -1.514 60.806 62.300 0.033 0.000 1.237 245 V CB 0.605 32.440 31.823 0.020 0.000 1.517 245 V HN 0.072 nan 8.190 nan 0.000 0.616 246 P HA 0.031 nan 4.420 nan 0.000 0.226 246 P C 0.682 177.962 177.300 -0.033 0.000 1.153 246 P CA 1.472 64.592 63.100 0.033 0.000 0.777 246 P CB 0.265 32.015 31.700 0.084 0.000 0.794 247 T N -5.968 108.576 114.554 -0.017 0.000 2.901 247 T HA 0.465 4.815 4.350 -0.001 0.000 0.293 247 T C -2.513 172.180 174.700 -0.011 0.000 1.084 247 T CA -2.171 59.914 62.100 -0.024 0.000 1.008 247 T CB 2.010 70.865 68.868 -0.021 0.000 1.170 247 T HN -0.371 nan 8.240 nan 0.000 0.509 248 P HA -0.010 nan 4.420 nan 0.000 0.216 248 P C 1.679 178.982 177.300 0.005 0.000 1.150 248 P CA 1.577 64.677 63.100 0.000 0.000 0.837 248 P CB -0.239 31.467 31.700 0.010 0.000 0.786 249 A N -0.128 122.696 122.820 0.007 0.000 1.933 249 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 249 A C 2.023 179.611 177.584 0.007 0.000 1.175 249 A CA 1.983 54.024 52.037 0.007 0.000 0.628 249 A CB -1.335 17.669 19.000 0.007 0.000 0.814 249 A HN 0.119 nan 8.150 nan 0.000 0.444 250 D N -0.260 120.144 120.400 0.007 0.000 2.144 250 D HA -0.089 4.551 4.640 -0.001 0.000 0.200 250 D C 2.105 178.411 176.300 0.011 0.000 0.978 250 D CA 1.380 55.387 54.000 0.011 0.000 0.833 250 D CB -0.311 40.499 40.800 0.016 0.000 0.961 250 D HN 0.233 nan 8.370 nan 0.000 0.470 251 V N 1.298 121.216 119.914 0.007 0.000 2.287 251 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 251 V C 2.572 178.670 176.094 0.005 0.000 1.053 251 V CA 1.931 64.234 62.300 0.005 0.000 1.027 251 V CB -0.804 31.017 31.823 -0.003 0.000 0.646 251 V HN 0.219 nan 8.190 nan 0.000 0.447 252 T N -0.521 114.035 114.554 0.005 0.000 2.708 252 T HA -0.193 4.157 4.350 -0.001 0.000 0.266 252 T C 2.082 176.785 174.700 0.005 0.000 1.037 252 T CA 1.562 63.665 62.100 0.005 0.000 1.146 252 T CB -0.240 68.631 68.868 0.006 0.000 0.865 252 T HN 0.399 nan 8.240 nan 0.000 0.435 253 R N 0.712 121.215 120.500 0.006 0.000 2.073 253 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 253 R C 2.598 178.901 176.300 0.004 0.000 1.134 253 R CA 1.172 57.275 56.100 0.005 0.000 0.952 253 R CB -0.147 30.157 30.300 0.006 0.000 0.850 253 R HN 0.393 nan 8.270 nan 0.000 0.433 254 E N 0.225 120.430 120.200 0.008 0.000 2.072 254 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 254 E C 2.191 178.794 176.600 0.006 0.000 0.985 254 E CA 0.914 57.319 56.400 0.009 0.000 0.801 254 E CB -0.179 29.534 29.700 0.021 0.000 0.750 254 E HN 0.133 nan 8.360 nan 0.000 0.452 255 V N 1.685 121.605 119.914 0.009 0.000 2.307 255 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 255 V C 2.505 178.600 176.094 0.003 0.000 1.045 255 V CA 1.245 63.551 62.300 0.009 0.000 1.024 255 V CB -0.471 31.357 31.823 0.009 0.000 0.651 255 V HN 0.188 nan 8.190 nan 0.000 0.449 256 L N 0.405 121.629 121.223 0.001 0.000 2.201 256 L HA -0.031 4.309 4.340 -0.001 0.000 0.212 256 L C 2.454 179.322 176.870 -0.004 0.000 1.105 256 L CA 1.468 56.307 54.840 -0.001 0.000 0.775 256 L CB -0.921 41.139 42.059 0.000 0.000 0.913 256 L HN 0.487 nan 8.230 nan 0.000 0.440 257 G N -1.061 107.735 108.800 -0.006 0.000 2.572 257 G HA2 0.162 4.121 3.960 -0.001 0.000 0.216 257 G HA3 0.162 4.121 3.960 -0.001 0.000 0.216 257 G C 1.259 176.147 174.900 -0.019 0.000 1.133 257 G CA 0.560 45.654 45.100 -0.011 0.000 0.791 257 G HN 0.509 nan 8.290 nan 0.000 0.538 258 G N -0.219 108.570 108.800 -0.020 0.000 2.132 258 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.234 258 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.234 258 G C 1.129 175.991 174.900 -0.063 0.000 0.989 258 G CA 0.991 46.072 45.100 -0.032 0.000 0.676 258 G HN 1.269 nan 8.290 nan 0.000 0.522 259 S N -1.399 114.266 115.700 -0.058 0.000 2.556 259 S HA 0.740 5.209 4.470 -0.001 0.000 0.216 259 S C 0.755 175.302 174.600 -0.088 0.000 0.970 259 S CA 1.002 59.140 58.200 -0.104 0.000 0.912 259 S CB 0.915 64.078 63.200 -0.063 0.000 0.790 259 S HN 2.002 nan 8.310 nan 0.000 0.504 260 A N 0.994 123.808 122.820 -0.010 0.000 2.517 260 A HA 0.644 4.963 4.320 -0.001 0.000 0.297 260 A C 0.230 177.866 177.584 0.088 0.000 1.050 260 A CA -0.289 51.804 52.037 0.094 0.000 0.694 260 A CB 1.020 20.078 19.000 0.098 0.000 1.277 260 A HN 0.365 nan 8.150 nan 0.000 0.400 261 T N -1.736 112.908 114.554 0.151 0.000 3.111 261 T HA 0.648 4.998 4.350 -0.001 0.000 0.284 261 T C 0.247 175.010 174.700 0.105 0.000 0.983 261 T CA 0.666 62.834 62.100 0.114 0.000 0.900 261 T CB 0.123 69.068 68.868 0.128 0.000 1.132 261 T HN 2.117 nan 8.240 nan 0.000 0.531 262 A N 1.158 124.032 122.820 0.089 0.000 2.604 262 A HA 0.719 5.038 4.320 -0.001 0.000 0.295 262 A C -1.842 175.722 177.584 -0.033 0.000 1.067 262 A CA -0.848 51.197 52.037 0.012 0.000 0.683 262 A CB 1.176 20.168 19.000 -0.014 0.000 1.281 262 A HN 0.240 nan 8.150 nan 0.000 0.407 263 I N 1.413 121.933 120.570 -0.083 0.000 2.436 263 I HA 0.445 4.615 4.170 -0.001 0.000 0.289 263 I C 0.522 176.568 176.117 -0.119 0.000 1.010 263 I CA -0.315 60.940 61.300 -0.076 0.000 1.098 263 I CB 1.555 39.527 38.000 -0.047 0.000 1.266 263 I HN 0.670 nan 8.210 nan 0.000 0.434 264 S N 7.220 122.857 115.700 -0.105 0.000 2.513 264 S HA 0.631 5.101 4.470 -0.001 0.000 0.276 264 S C -0.467 174.091 174.600 -0.070 0.000 1.254 264 S CA -0.433 57.701 58.200 -0.109 0.000 1.053 264 S CB 0.331 63.471 63.200 -0.099 0.000 0.958 264 S HN 0.414 nan 8.310 nan 0.000 0.491 265 I N 4.827 125.362 120.570 -0.059 0.000 2.362 265 I HA 0.417 4.586 4.170 -0.001 0.000 0.289 265 I C -0.216 175.857 176.117 -0.075 0.000 0.994 265 I CA -0.549 60.710 61.300 -0.068 0.000 1.158 265 I CB 1.685 39.665 38.000 -0.033 0.000 1.315 265 I HN 0.534 nan 8.210 nan 0.000 0.451 266 K N 4.112 124.450 120.400 -0.103 0.000 2.502 266 K HA 0.259 4.579 4.320 -0.001 0.000 0.254 266 K C 0.870 177.373 176.600 -0.162 0.000 0.947 266 K CA -0.407 55.826 56.287 -0.090 0.000 0.834 266 K CB 2.016 34.492 32.500 -0.040 0.000 1.112 266 K HN 0.695 nan 8.250 nan 0.000 0.427 267 T N -1.020 113.431 114.554 -0.171 0.000 2.929 267 T HA -0.174 4.175 4.350 -0.001 0.000 0.271 267 T C 1.877 176.422 174.700 -0.258 0.000 1.085 267 T CA 1.193 63.137 62.100 -0.260 0.000 1.125 267 T CB -0.104 68.656 68.868 -0.179 0.000 0.874 267 T HN 0.533 nan 8.240 nan 0.000 0.494 268 A N 2.825 125.542 122.820 -0.171 0.000 1.972 268 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 268 A C 2.470 179.921 177.584 -0.221 0.000 1.169 268 A CA 1.574 53.511 52.037 -0.167 0.000 0.635 268 A CB -0.504 18.439 19.000 -0.094 0.000 0.810 268 A HN 0.807 nan 8.150 nan 0.000 0.446 269 R N -1.634 118.723 120.500 -0.238 0.000 2.254 269 R HA 0.089 4.428 4.340 -0.001 0.000 0.193 269 R C 1.107 177.230 176.300 -0.296 0.000 0.929 269 R CA 1.235 57.123 56.100 -0.353 0.000 1.038 269 R CB -0.413 29.631 30.300 -0.426 0.000 1.009 269 R HN 0.362 nan 8.270 nan 0.000 0.512 270 T N -3.099 111.298 114.554 -0.262 0.000 3.091 270 T HA 0.413 4.763 4.350 -0.001 0.000 0.277 270 T C 1.090 175.628 174.700 -0.270 0.000 0.996 270 T CA -0.073 61.885 62.100 -0.236 0.000 0.897 270 T CB 0.733 69.475 68.868 -0.211 0.000 1.109 270 T HN 0.434 nan 8.240 nan 0.000 0.534 271 G N 2.211 110.800 108.800 -0.351 0.000 2.614 271 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.303 271 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.303 271 G C 0.191 174.776 174.900 -0.525 0.000 1.270 271 G CA 0.767 45.563 45.100 -0.507 0.000 0.988 271 G HN 0.300 nan 8.290 nan 0.000 0.551 272 F N -0.230 119.583 119.950 -0.230 0.000 2.490 272 F HA 0.238 4.765 4.527 -0.001 0.000 0.280 272 F C 3.088 178.793 175.800 -0.158 0.000 1.030 272 F CA 1.492 59.289 58.000 -0.338 0.000 1.367 272 F CB -1.050 37.454 39.000 -0.826 0.000 1.131 272 F HN 0.411 nan 8.300 nan 0.000 0.632 273 T N -0.109 114.586 114.554 0.235 0.000 2.708 273 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 273 T C 2.344 177.070 174.700 0.043 0.000 1.037 273 T CA 1.696 63.942 62.100 0.244 0.000 1.146 273 T CB -0.960 68.091 68.868 0.304 0.000 0.865 273 T HN 0.382 nan 8.240 nan 0.000 0.435 274 G N 0.710 109.521 108.800 0.020 0.000 2.408 274 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.217 274 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.217 274 G C 1.880 176.710 174.900 -0.117 0.000 1.150 274 G CA 0.876 45.965 45.100 -0.018 0.000 0.776 274 G HN 0.478 nan 8.290 nan 0.000 0.542 275 S N 0.378 115.931 115.700 -0.246 0.000 2.399 275 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 275 S C 2.517 176.994 174.600 -0.205 0.000 1.022 275 S CA 1.569 59.490 58.200 -0.465 0.000 0.983 275 S CB -0.310 62.172 63.200 -1.197 0.000 0.803 275 S HN 0.434 nan 8.310 nan 0.000 0.480 276 T N 1.948 116.503 114.554 0.002 0.000 2.821 276 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 276 T C 1.874 176.425 174.700 -0.249 0.000 1.046 276 T CA 0.939 63.021 62.100 -0.030 0.000 1.139 276 T CB -0.119 68.724 68.868 -0.042 0.000 0.871 276 T HN 0.348 nan 8.240 nan 0.000 0.454 277 R N 0.294 120.711 120.500 -0.138 0.000 2.096 277 R HA -0.026 4.313 4.340 -0.001 0.000 0.235 277 R C 2.477 178.758 176.300 -0.031 0.000 1.127 277 R CA 0.924 56.973 56.100 -0.084 0.000 0.968 277 R CB -0.556 29.715 30.300 -0.050 0.000 0.861 277 R HN 0.238 nan 8.270 nan 0.000 0.440 278 V N 0.512 120.403 119.914 -0.039 0.000 2.307 278 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 278 V C 2.431 178.530 176.094 0.009 0.000 1.045 278 V CA 1.906 64.192 62.300 -0.023 0.000 1.024 278 V CB -0.771 31.019 31.823 -0.055 0.000 0.651 278 V HN 0.466 nan 8.190 nan 0.000 0.449 279 H N 0.260 119.292 119.070 -0.064 0.000 2.319 279 H HA -0.216 4.340 4.556 -0.001 0.000 0.299 279 H C 2.316 177.644 175.328 -0.000 0.000 1.092 279 H CA 2.483 58.492 56.048 -0.064 0.000 1.302 279 H CB -0.373 29.273 29.762 -0.194 0.000 1.373 279 H HN 0.620 nan 8.280 nan 0.000 0.497 280 H N -0.632 118.442 119.070 0.006 0.000 2.389 280 H HA -0.106 4.449 4.556 -0.001 0.000 0.299 280 H C 2.446 177.719 175.328 -0.092 0.000 1.081 280 H CA 0.671 56.697 56.048 -0.036 0.000 1.345 280 H CB 0.346 30.134 29.762 0.042 0.000 1.393 280 H HN 0.230 nan 8.280 nan 0.000 0.520 281 L N 1.071 122.330 121.223 0.060 0.000 2.027 281 L HA -0.051 4.288 4.340 -0.001 0.000 0.206 281 L C 2.505 179.352 176.870 -0.039 0.000 1.074 281 L CA 1.725 56.571 54.840 0.009 0.000 0.745 281 L CB -0.753 41.312 42.059 0.009 0.000 0.898 281 L HN 0.150 nan 8.230 nan 0.000 0.433 282 A N -0.933 121.843 122.820 -0.073 0.000 1.933 282 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 282 A C 2.341 179.846 177.584 -0.132 0.000 1.175 282 A CA 1.753 53.734 52.037 -0.094 0.000 0.628 282 A CB -0.696 18.242 19.000 -0.103 0.000 0.814 282 A HN 0.626 nan 8.150 nan 0.000 0.444 283 E N -0.576 119.489 120.200 -0.225 0.000 2.072 283 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 283 E C 2.089 178.615 176.600 -0.123 0.000 0.985 283 E CA 0.904 57.169 56.400 -0.224 0.000 0.801 283 E CB -0.375 29.108 29.700 -0.362 0.000 0.750 283 E HN 0.514 nan 8.360 nan 0.000 0.452 284 G N 1.118 109.860 108.800 -0.096 0.000 2.422 284 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 284 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 284 G C 1.544 176.419 174.900 -0.041 0.000 1.146 284 G CA 0.498 45.563 45.100 -0.058 0.000 0.769 284 G HN 0.200 nan 8.290 nan 0.000 0.547 285 L N 0.043 121.243 121.223 -0.039 0.000 2.313 285 L HA 0.227 4.566 4.340 -0.001 0.000 0.214 285 L C 1.783 178.639 176.870 -0.023 0.000 1.119 285 L CA 0.562 55.387 54.840 -0.025 0.000 0.809 285 L CB -0.176 41.871 42.059 -0.019 0.000 0.933 285 L HN 0.398 nan 8.230 nan 0.000 0.449 286 G N 1.040 109.818 108.800 -0.035 0.000 2.414 286 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.256 286 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.256 286 G C -0.492 174.402 174.900 -0.011 0.000 1.128 286 G CA -0.421 44.664 45.100 -0.025 0.000 0.944 286 G HN 0.158 nan 8.290 nan 0.000 0.500 287 L N -0.037 121.174 121.223 -0.020 0.000 2.381 287 L HA 0.535 4.874 4.340 -0.001 0.000 0.268 287 L C -0.196 176.677 176.870 0.005 0.000 0.997 287 L CA -1.380 53.461 54.840 0.001 0.000 0.818 287 L CB 1.601 43.656 42.059 -0.006 0.000 1.310 287 L HN -0.016 nan 8.230 nan 0.000 0.416 288 D N 3.156 123.584 120.400 0.045 0.000 2.382 288 D HA 0.412 5.052 4.640 -0.001 0.000 0.240 288 D C -0.208 176.074 176.300 -0.030 0.000 1.146 288 D CA 0.403 54.447 54.000 0.074 0.000 0.897 288 D CB 1.078 41.970 40.800 0.153 0.000 1.197 288 D HN 0.403 nan 8.370 nan 0.000 0.432 289 M N -0.923 118.661 119.600 -0.027 0.000 2.433 289 M HA 0.645 5.125 4.480 -0.001 0.000 0.290 289 M C -1.666 174.571 176.300 -0.105 0.000 1.173 289 M CA -1.009 54.242 55.300 -0.081 0.000 0.905 289 M CB 2.118 34.711 32.600 -0.011 0.000 1.692 289 M HN -0.077 nan 8.290 nan 0.000 0.462 290 V N 3.094 122.890 119.914 -0.198 0.000 2.789 290 V HA 0.486 4.606 4.120 -0.001 0.000 0.311 290 V C -0.242 175.816 176.094 -0.060 0.000 1.073 290 V CA -0.740 61.447 62.300 -0.187 0.000 0.921 290 V CB 2.367 33.913 31.823 -0.461 0.000 1.009 290 V HN 0.909 nan 8.190 nan 0.000 0.426 291 M N 3.671 123.287 119.600 0.028 0.000 2.194 291 M HA 0.356 4.836 4.480 -0.001 0.000 0.347 291 M C 0.659 176.971 176.300 0.020 0.000 1.439 291 M CA 0.197 55.531 55.300 0.057 0.000 1.131 291 M CB 0.230 32.902 32.600 0.120 0.000 1.733 291 M HN 0.830 nan 8.290 nan 0.000 0.467 292 G N 2.839 111.634 108.800 -0.008 0.000 2.522 292 G HA2 0.340 4.299 3.960 -0.001 0.000 0.304 292 G HA3 0.340 4.299 3.960 -0.001 0.000 0.304 292 G C -0.437 174.453 174.900 -0.016 0.000 1.210 292 G CA -0.536 44.549 45.100 -0.024 0.000 0.960 292 G HN 0.686 nan 8.290 nan 0.000 0.497 293 N N -0.545 118.131 118.700 -0.040 0.000 2.342 293 N HA 0.184 4.924 4.740 -0.001 0.000 0.293 293 N C -0.398 175.076 175.510 -0.060 0.000 1.026 293 N CA -0.464 52.568 53.050 -0.031 0.000 0.857 293 N CB 2.324 40.789 38.487 -0.037 0.000 1.256 293 N HN 0.338 nan 8.380 nan 0.000 0.484 294 Q N 3.918 123.702 119.800 -0.028 0.000 2.217 294 Q HA 0.405 4.745 4.340 -0.001 0.000 0.226 294 Q C -0.124 175.868 176.000 -0.013 0.000 0.875 294 Q CA -0.025 55.759 55.803 -0.032 0.000 0.974 294 Q CB -0.807 27.929 28.738 -0.002 0.000 1.079 294 Q HN 0.742 nan 8.270 nan 0.000 0.463 295 I N 0.948 121.516 120.570 -0.003 0.000 6.341 295 I HA -0.308 3.861 4.170 -0.001 0.000 0.126 295 I C -0.813 175.421 176.117 0.196 0.000 1.823 295 I CA 0.254 61.603 61.300 0.082 0.000 2.045 295 I CB -1.115 36.929 38.000 0.074 0.000 3.471 295 I HN 0.310 nan 8.210 nan 0.000 0.172 296 D N 2.052 122.549 120.400 0.161 0.000 2.362 296 D HA 0.396 5.036 4.640 -0.001 0.000 0.242 296 D C 0.839 177.319 176.300 0.300 0.000 1.132 296 D CA 0.617 54.733 54.000 0.193 0.000 0.907 296 D CB 1.162 42.035 40.800 0.121 0.000 1.195 296 D HN 0.381 nan 8.370 nan 0.000 0.429 297 G N -0.112 108.883 108.800 0.326 0.000 2.525 297 G HA2 0.037 3.996 3.960 -0.001 0.000 0.287 297 G HA3 0.037 3.996 3.960 -0.001 0.000 0.287 297 G C 0.693 175.657 174.900 0.107 0.000 1.350 297 G CA -0.220 45.038 45.100 0.263 0.000 1.039 297 G HN 0.414 nan 8.290 nan 0.000 0.513 298 Q N -1.132 118.628 119.800 -0.067 0.000 2.226 298 Q HA -0.054 4.285 4.340 -0.001 0.000 0.204 298 Q C 2.547 178.460 176.000 -0.145 0.000 0.975 298 Q CA 0.865 56.475 55.803 -0.322 0.000 0.866 298 Q CB -0.129 28.349 28.738 -0.433 0.000 0.915 298 Q HN 0.587 nan 8.270 nan 0.000 0.440 299 I N -0.026 120.528 120.570 -0.027 0.000 2.179 299 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 299 I C 2.299 178.434 176.117 0.030 0.000 1.088 299 I CA 1.228 62.535 61.300 0.012 0.000 1.357 299 I CB -0.531 37.506 38.000 0.062 0.000 1.051 299 I HN 0.254 nan 8.210 nan 0.000 0.409 300 G N -0.074 108.758 108.800 0.052 0.000 2.422 300 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 300 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 300 G C 1.642 176.570 174.900 0.047 0.000 1.140 300 G CA 1.130 46.252 45.100 0.036 0.000 0.775 300 G HN 0.281 nan 8.290 nan 0.000 0.545 301 T N 1.488 116.066 114.554 0.041 0.000 2.857 301 T HA 0.100 4.450 4.350 -0.001 0.000 0.266 301 T C 2.794 177.517 174.700 0.039 0.000 1.048 301 T CA 1.167 63.300 62.100 0.055 0.000 1.139 301 T CB -0.209 68.681 68.868 0.036 0.000 0.874 301 T HN 0.342 nan 8.240 nan 0.000 0.455 302 A N 0.450 123.272 122.820 0.003 0.000 1.972 302 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 302 A C 2.616 180.264 177.584 0.107 0.000 1.169 302 A CA 1.216 53.269 52.037 0.027 0.000 0.635 302 A CB -1.196 17.807 19.000 0.005 0.000 0.810 302 A HN 0.620 nan 8.150 nan 0.000 0.446 303 C N -1.389 118.001 119.300 0.150 0.000 2.466 303 C HA -0.040 4.420 4.460 -0.001 0.000 0.278 303 C C 3.026 178.210 174.990 0.322 0.000 1.288 303 C CA 1.416 60.623 59.018 0.314 0.000 1.722 303 C CB -1.341 26.487 27.740 0.146 0.000 2.017 303 C HN 0.639 nan 8.230 nan 0.000 0.488 304 T N 0.325 114.989 114.554 0.183 0.000 2.684 304 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 304 T C 1.814 176.627 174.700 0.188 0.000 1.036 304 T CA 1.747 63.953 62.100 0.177 0.000 1.148 304 T CB -0.525 68.413 68.868 0.116 0.000 0.863 304 T HN 0.369 nan 8.240 nan 0.000 0.436 305 V N 0.977 120.968 119.914 0.129 0.000 2.515 305 V HA -0.146 3.973 4.120 -0.001 0.000 0.250 305 V C 2.489 178.612 176.094 0.048 0.000 1.058 305 V CA 1.930 64.282 62.300 0.086 0.000 1.064 305 V CB -0.625 31.235 31.823 0.062 0.000 0.675 305 V HN 0.439 nan 8.190 nan 0.000 0.461 306 S N -0.308 115.419 115.700 0.046 0.000 2.359 306 S HA -0.191 4.278 4.470 -0.001 0.000 0.224 306 S C 1.665 176.169 174.600 -0.160 0.000 1.035 306 S CA 2.178 60.324 58.200 -0.089 0.000 1.018 306 S CB -0.453 62.649 63.200 -0.162 0.000 0.876 306 S HN 0.754 nan 8.310 nan 0.000 0.448 307 F N 1.982 121.846 119.950 -0.144 0.000 2.149 307 F HA 0.138 4.665 4.527 -0.001 0.000 0.294 307 F C 2.325 178.133 175.800 0.014 0.000 1.095 307 F CA 1.173 59.114 58.000 -0.099 0.000 1.276 307 F CB -0.900 38.163 39.000 0.106 0.000 1.023 307 F HN 0.228 nan 8.300 nan 0.000 0.480 308 G N -0.793 108.125 108.800 0.197 0.000 2.450 308 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.220 308 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.220 308 G C 1.543 176.444 174.900 0.002 0.000 1.130 308 G CA 1.503 46.685 45.100 0.135 0.000 0.760 308 G HN 0.466 nan 8.290 nan 0.000 0.557 309 T N -1.643 112.875 114.554 -0.059 0.000 3.088 309 T HA 0.412 4.761 4.350 -0.001 0.000 0.259 309 T C 2.374 176.976 174.700 -0.163 0.000 1.122 309 T CA 1.163 63.217 62.100 -0.076 0.000 1.095 309 T CB 0.105 68.923 68.868 -0.083 0.000 0.930 309 T HN 0.282 nan 8.240 nan 0.000 0.508 310 A N 0.455 123.054 122.820 -0.368 0.000 2.066 310 A HA 0.431 4.751 4.320 -0.001 0.000 0.218 310 A C 0.384 177.447 177.584 -0.869 0.000 1.157 310 A CA 0.219 51.849 52.037 -0.679 0.000 0.670 310 A CB -0.382 17.998 19.000 -1.034 0.000 0.804 310 A HN 0.517 nan 8.150 nan 0.000 0.453 311 F N -2.254 117.515 119.950 -0.300 0.000 2.577 311 F HA 0.416 4.943 4.527 -0.000 0.000 0.318 311 F C 1.154 176.755 175.800 -0.333 0.000 1.065 311 F CA -0.951 56.860 58.000 -0.316 0.000 0.929 311 F CB 1.193 39.905 39.000 -0.481 0.000 1.237 311 F HN 0.013 nan 8.300 nan 0.000 0.468 312 E N 1.074 121.003 120.200 -0.451 0.000 2.072 312 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 312 E C 1.918 178.391 176.600 -0.212 0.000 0.982 312 E CA 1.100 57.059 56.400 -0.736 0.000 0.803 312 E CB 0.179 29.252 29.700 -1.044 0.000 0.755 312 E HN 0.485 nan 8.360 nan 0.000 0.453 313 R N 0.128 120.612 120.500 -0.026 0.000 2.152 313 R HA -0.079 4.261 4.340 -0.001 0.000 0.232 313 R C 2.398 178.761 176.300 0.105 0.000 1.117 313 R CA 1.708 57.828 56.100 0.034 0.000 0.981 313 R CB -0.925 29.399 30.300 0.040 0.000 0.870 313 R HN 0.370 nan 8.270 nan 0.000 0.451 314 T N -2.023 112.627 114.554 0.159 0.000 3.009 314 T HA -0.020 4.329 4.350 -0.001 0.000 0.258 314 T C 1.886 176.662 174.700 0.128 0.000 1.063 314 T CA 0.894 63.108 62.100 0.190 0.000 1.139 314 T CB -0.080 68.934 68.868 0.244 0.000 0.890 314 T HN 0.226 nan 8.240 nan 0.000 0.471 315 S N 2.140 117.879 115.700 0.065 0.000 2.558 315 S HA 0.028 4.498 4.470 -0.001 0.000 0.217 315 S C 2.029 176.631 174.600 0.004 0.000 0.975 315 S CA -0.137 58.095 58.200 0.053 0.000 0.912 315 S CB -0.548 62.702 63.200 0.084 0.000 0.776 315 S HN 0.769 nan 8.310 nan 0.000 0.526 316 R N 0.573 121.018 120.500 -0.091 0.000 2.235 316 R HA 0.128 4.468 4.340 -0.001 0.000 0.213 316 R C 0.221 176.345 176.300 -0.293 0.000 1.059 316 R CA 0.620 56.592 56.100 -0.213 0.000 0.997 316 R CB -0.419 29.681 30.300 -0.333 0.000 0.884 316 R HN 0.440 nan 8.270 nan 0.000 0.462 317 H N 0.260 119.356 119.070 0.043 0.000 2.616 317 H HA 0.503 5.058 4.556 -0.001 0.000 0.353 317 H C -0.344 175.007 175.328 0.038 0.000 1.170 317 H CA -0.843 55.233 56.048 0.046 0.000 1.212 317 H CB 1.647 31.432 29.762 0.039 0.000 1.653 317 H HN 0.205 nan 8.280 nan 0.000 0.537 318 A N 1.107 124.034 122.820 0.177 0.000 2.425 318 A HA 0.467 4.786 4.320 -0.001 0.000 0.242 318 A C 0.776 178.428 177.584 0.114 0.000 1.077 318 A CA 0.329 52.433 52.037 0.112 0.000 0.781 318 A CB -0.041 19.018 19.000 0.098 0.000 1.020 318 A HN 0.750 nan 8.150 nan 0.000 0.494 319 G N 0.259 109.112 108.800 0.087 0.000 2.400 319 G HA2 0.520 4.479 3.960 -0.001 0.000 0.333 319 G HA3 0.520 4.479 3.960 -0.001 0.000 0.333 319 G C -0.614 174.329 174.900 0.071 0.000 1.143 319 G CA -0.577 44.574 45.100 0.085 0.000 0.914 319 G HN 0.749 nan 8.290 nan 0.000 0.480 320 E N 1.192 121.429 120.200 0.063 0.000 1.858 320 E HA 0.198 4.547 4.350 -0.001 0.000 0.267 320 E C 0.098 176.727 176.600 0.049 0.000 1.215 320 E CA 0.074 56.493 56.400 0.032 0.000 0.952 320 E CB 0.404 30.105 29.700 0.002 0.000 1.058 320 E HN 0.297 nan 8.360 nan 0.000 0.407 321 L N 1.914 123.175 121.223 0.064 0.000 3.289 321 L HA 0.126 4.465 4.340 -0.001 0.000 0.291 321 L C 0.905 177.867 176.870 0.154 0.000 1.279 321 L CA 0.003 54.923 54.840 0.133 0.000 1.025 321 L CB 0.438 42.579 42.059 0.137 0.000 1.413 321 L HN 0.345 nan 8.230 nan 0.000 0.593 322 S N -4.011 111.700 115.700 0.018 0.000 2.733 322 S HA 0.109 4.578 4.470 -0.001 0.000 0.247 322 S C 1.046 175.467 174.600 -0.300 0.000 1.043 322 S CA -0.327 57.729 58.200 -0.241 0.000 1.066 322 S CB -0.102 63.000 63.200 -0.164 0.000 1.045 322 S HN 0.272 nan 8.310 nan 0.000 0.586 323 N N 1.917 120.575 118.700 -0.070 0.000 2.520 323 N HA 0.077 4.817 4.740 -0.001 0.000 0.185 323 N C 1.150 176.657 175.510 -0.005 0.000 1.068 323 N CA 1.274 54.317 53.050 -0.013 0.000 0.911 323 N CB -0.588 37.901 38.487 0.002 0.000 0.961 323 N HN 0.747 nan 8.380 nan 0.000 0.446 324 F N -0.458 119.515 119.950 0.039 0.000 2.451 324 F HA 0.066 4.592 4.527 -0.001 0.000 0.299 324 F C 1.336 177.089 175.800 -0.079 0.000 1.101 324 F CA 0.541 58.532 58.000 -0.015 0.000 1.436 324 F CB -0.771 38.225 39.000 -0.007 0.000 1.074 324 F HN -0.043 nan 8.300 nan 0.000 0.553 325 L N 0.613 121.436 121.223 -0.667 0.000 2.265 325 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 325 L C 1.587 178.359 176.870 -0.163 0.000 1.117 325 L CA 1.157 55.733 54.840 -0.440 0.000 0.782 325 L CB -0.738 40.957 42.059 -0.606 0.000 0.914 325 L HN 0.146 nan 8.230 nan 0.000 0.441 326 D N -0.497 119.828 120.400 -0.125 0.000 2.355 326 D HA 0.046 4.686 4.640 -0.001 0.000 0.218 326 D C 0.944 177.047 176.300 -0.328 0.000 1.004 326 D CA 0.477 54.432 54.000 -0.075 0.000 0.880 326 D CB 0.150 41.041 40.800 0.151 0.000 0.911 326 D HN 0.293 nan 8.370 nan 0.000 0.528 327 M N 0.405 119.707 119.600 -0.496 0.000 2.242 327 M HA 0.007 4.487 4.480 -0.001 0.000 0.344 327 M C 1.694 177.854 176.300 -0.233 0.000 1.140 327 M CA -0.175 54.762 55.300 -0.606 0.000 1.160 327 M CB 1.480 33.804 32.600 -0.460 0.000 1.491 327 M HN -0.186 nan 8.290 nan 0.000 0.459 328 S N 0.007 115.608 115.700 -0.165 0.000 2.481 328 S HA 0.014 4.484 4.470 -0.001 0.000 0.231 328 S C 0.167 174.760 174.600 -0.013 0.000 0.996 328 S CA 0.668 58.845 58.200 -0.038 0.000 0.942 328 S CB -0.017 63.197 63.200 0.025 0.000 0.768 328 S HN 0.838 nan 8.310 nan 0.000 0.520 329 D N -1.559 118.797 120.400 -0.074 0.000 2.769 329 D HA 0.468 5.108 4.640 -0.001 0.000 0.309 329 D C -2.174 174.050 176.300 -0.126 0.000 1.315 329 D CA -0.415 53.559 54.000 -0.043 0.000 0.780 329 D CB 1.298 42.128 40.800 0.051 0.000 1.312 329 D HN 0.001 nan 8.370 nan 0.000 0.437 330 D N -0.481 119.868 120.400 -0.084 0.000 2.677 330 D HA 0.358 4.997 4.640 -0.001 0.000 0.298 330 D C 0.180 176.428 176.300 -0.087 0.000 1.250 330 D CA -0.370 53.563 54.000 -0.111 0.000 0.888 330 D CB 1.482 42.239 40.800 -0.071 0.000 1.397 330 D HN 0.305 nan 8.370 nan 0.000 0.461 331 L N 0.625 121.771 121.223 -0.129 0.000 2.607 331 L HA 0.288 4.627 4.340 -0.001 0.000 0.228 331 L C 0.682 177.505 176.870 -0.079 0.000 1.123 331 L CA 0.150 54.915 54.840 -0.125 0.000 0.890 331 L CB 0.041 41.937 42.059 -0.271 0.000 1.103 331 L HN 0.054 nan 8.230 nan 0.000 0.468 332 L N 0.013 121.195 121.223 -0.069 0.000 2.395 332 L HA 0.121 4.461 4.340 -0.001 0.000 0.269 332 L C 1.778 178.629 176.870 -0.033 0.000 1.133 332 L CA -0.142 54.665 54.840 -0.055 0.000 0.812 332 L CB 1.341 43.356 42.059 -0.072 0.000 1.125 332 L HN 0.182 nan 8.230 nan 0.000 0.452 333 T N -1.309 113.229 114.554 -0.026 0.000 2.904 333 T HA -0.002 4.348 4.350 -0.001 0.000 0.267 333 T C 0.564 175.256 174.700 -0.014 0.000 1.059 333 T CA 0.348 62.439 62.100 -0.015 0.000 1.137 333 T CB -0.033 68.827 68.868 -0.013 0.000 0.879 333 T HN 0.255 nan 8.240 nan 0.000 0.467 334 V N 3.345 123.246 119.914 -0.022 0.000 2.380 334 V HA 0.409 4.529 4.120 -0.001 0.000 0.286 334 V C -2.633 173.441 176.094 -0.033 0.000 1.015 334 V CA -2.262 60.026 62.300 -0.019 0.000 0.834 334 V CB 1.436 33.248 31.823 -0.018 0.000 1.009 334 V HN 0.177 nan 8.190 nan 0.000 0.428 335 P HA 0.167 nan 4.420 nan 0.000 0.267 335 P C -0.196 177.075 177.300 -0.049 0.000 1.200 335 P CA -0.128 62.948 63.100 -0.040 0.000 0.772 335 P CB 0.559 32.267 31.700 0.014 0.000 0.855 336 L N 2.724 123.866 121.223 -0.136 0.000 2.426 336 L HA 0.114 4.453 4.340 -0.001 0.000 0.271 336 L C 0.798 177.705 176.870 0.062 0.000 1.169 336 L CA 0.061 54.836 54.840 -0.108 0.000 0.836 336 L CB 0.075 41.929 42.059 -0.341 0.000 1.112 336 L HN 0.279 nan 8.230 nan 0.000 0.465 337 Q N 4.385 124.239 119.800 0.089 0.000 2.333 337 Q HA 0.536 4.875 4.340 -0.001 0.000 0.268 337 Q C -0.745 175.352 176.000 0.161 0.000 1.007 337 Q CA -0.333 55.552 55.803 0.136 0.000 0.810 337 Q CB 2.762 31.551 28.738 0.085 0.000 1.264 337 Q HN 0.526 nan 8.270 nan 0.000 0.452 338 I N 2.074 122.762 120.570 0.196 0.000 2.354 338 I HA 0.365 4.535 4.170 -0.001 0.000 0.292 338 I C -0.033 176.213 176.117 0.215 0.000 0.989 338 I CA -0.383 61.022 61.300 0.175 0.000 1.188 338 I CB 1.503 39.547 38.000 0.073 0.000 1.342 338 I HN 0.551 nan 8.210 nan 0.000 0.457 339 S N 2.889 118.690 115.700 0.168 0.000 2.541 339 S HA 0.433 4.903 4.470 -0.001 0.000 0.271 339 S C -0.564 174.107 174.600 0.117 0.000 1.133 339 S CA -0.799 57.485 58.200 0.140 0.000 0.876 339 S CB 2.017 65.279 63.200 0.103 0.000 1.105 339 S HN 0.700 nan 8.310 nan 0.000 0.470 340 D N 0.889 121.343 120.400 0.091 0.000 2.837 340 D HA -0.129 4.510 4.640 -0.001 0.000 0.230 340 D C 1.082 177.420 176.300 0.063 0.000 1.152 340 D CA 2.164 56.207 54.000 0.071 0.000 0.736 340 D CB -1.611 39.232 40.800 0.072 0.000 1.084 340 D HN 1.918 nan 8.370 nan 0.000 0.429 341 G N -0.452 108.389 108.800 0.068 0.000 2.179 341 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.257 341 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.257 341 G C 0.127 175.045 174.900 0.030 0.000 1.010 341 G CA 0.967 46.087 45.100 0.034 0.000 0.736 341 G HN 0.548 nan 8.290 nan 0.000 0.513 342 Q N -1.672 118.165 119.800 0.061 0.000 2.484 342 Q HA 0.796 5.135 4.340 -0.001 0.000 0.285 342 Q C -1.208 174.853 176.000 0.102 0.000 1.097 342 Q CA -1.145 54.688 55.803 0.050 0.000 0.802 342 Q CB 2.549 31.298 28.738 0.018 0.000 1.444 342 Q HN 0.379 nan 8.270 nan 0.000 0.429 343 L N 1.029 122.298 121.223 0.076 0.000 2.406 343 L HA 0.440 4.780 4.340 -0.001 0.000 0.272 343 L C -1.563 175.361 176.870 0.091 0.000 0.980 343 L CA -0.234 54.685 54.840 0.131 0.000 0.831 343 L CB 1.330 43.458 42.059 0.114 0.000 1.253 343 L HN 0.597 nan 8.230 nan 0.000 0.406 344 H N 2.174 121.258 119.070 0.024 0.000 2.511 344 H HA 0.615 5.171 4.556 -0.001 0.000 0.346 344 H C -0.245 175.083 175.328 -0.001 0.000 1.128 344 H CA -0.255 55.797 56.048 0.007 0.000 1.342 344 H CB 0.762 30.525 29.762 0.001 0.000 1.470 344 H HN 0.563 nan 8.280 nan 0.000 0.546 345 R N 1.604 122.154 120.500 0.083 0.000 2.594 345 R HA 0.253 4.592 4.340 -0.001 0.000 0.272 345 R C -0.380 175.948 176.300 0.046 0.000 1.074 345 R CA -0.631 55.489 56.100 0.034 0.000 1.105 345 R CB 0.381 30.670 30.300 -0.019 0.000 1.008 345 R HN 0.387 nan 8.270 nan 0.000 0.472 346 R N 3.186 123.699 120.500 0.021 0.000 2.623 346 R HA 0.040 4.379 4.340 -0.001 0.000 0.271 346 R C -1.543 174.759 176.300 0.003 0.000 1.043 346 R CA -1.381 54.726 56.100 0.011 0.000 1.083 346 R CB 0.059 30.359 30.300 0.001 0.000 0.974 346 R HN 0.696 nan 8.270 nan 0.000 0.436 347 P HA -0.049 nan 4.420 nan 0.000 0.225 347 P C 0.684 177.978 177.300 -0.010 0.000 1.156 347 P CA 0.611 63.707 63.100 -0.006 0.000 0.787 347 P CB 0.291 31.985 31.700 -0.010 0.000 0.802 348 G N 1.457 110.252 108.800 -0.007 0.000 2.634 348 G HA2 0.316 4.276 3.960 -0.001 0.000 0.255 348 G HA3 0.316 4.276 3.960 -0.001 0.000 0.255 348 G C -2.593 172.305 174.900 -0.003 0.000 1.205 348 G CA -0.909 44.188 45.100 -0.005 0.000 0.884 348 G HN 0.069 nan 8.290 nan 0.000 0.549 349 P HA 0.280 nan 4.420 nan 0.000 0.270 349 P C 1.075 178.387 177.300 0.020 0.000 1.223 349 P CA 1.166 64.271 63.100 0.008 0.000 0.785 349 P CB 0.648 32.353 31.700 0.008 0.000 0.923 350 G N 0.809 109.630 108.800 0.035 0.000 2.596 350 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.295 350 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.295 350 G C 0.773 175.702 174.900 0.049 0.000 1.240 350 G CA 0.295 45.434 45.100 0.065 0.000 0.985 350 G HN 0.498 nan 8.290 nan 0.000 0.555 351 L N 2.207 123.472 121.223 0.071 0.000 2.552 351 L HA 0.330 4.669 4.340 -0.001 0.000 0.227 351 L C 2.337 179.224 176.870 0.028 0.000 1.146 351 L CA 0.988 55.866 54.840 0.063 0.000 0.858 351 L CB -0.562 41.559 42.059 0.102 0.000 0.969 351 L HN 1.965 nan 8.230 nan 0.000 0.451 352 G N 1.674 110.485 108.800 0.019 0.000 2.198 352 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 352 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 352 G C 0.140 175.040 174.900 -0.000 0.000 1.025 352 G CA 0.709 45.813 45.100 0.006 0.000 0.769 352 G HN 0.508 nan 8.290 nan 0.000 0.507 353 I N -4.302 116.270 120.570 0.003 0.000 3.042 353 I HA 0.972 5.141 4.170 -0.001 0.000 0.310 353 I C -0.680 175.433 176.117 -0.007 0.000 1.117 353 I CA -1.513 59.782 61.300 -0.008 0.000 1.003 353 I CB 2.533 40.525 38.000 -0.013 0.000 1.228 353 I HN 0.072 nan 8.210 nan 0.000 0.443 354 E N 2.984 123.175 120.200 -0.016 0.000 2.308 354 E HA 0.431 4.780 4.350 -0.001 0.000 0.275 354 E C -1.586 175.000 176.600 -0.023 0.000 0.890 354 E CA -0.826 55.565 56.400 -0.015 0.000 0.754 354 E CB 2.338 32.031 29.700 -0.011 0.000 1.207 354 E HN 0.551 nan 8.360 nan 0.000 0.426 355 I N 3.287 123.842 120.570 -0.025 0.000 2.416 355 I HA 0.065 4.235 4.170 -0.001 0.000 0.288 355 I C 0.331 176.433 176.117 -0.025 0.000 1.051 355 I CA -0.048 61.230 61.300 -0.037 0.000 1.375 355 I CB 0.633 38.608 38.000 -0.042 0.000 1.407 355 I HN 0.621 nan 8.210 nan 0.000 0.516 356 D N 9.437 129.822 120.400 -0.026 0.000 2.346 356 D HA 0.109 4.748 4.640 -0.001 0.000 0.260 356 D C -1.682 174.615 176.300 -0.005 0.000 1.252 356 D CA -1.601 52.393 54.000 -0.010 0.000 0.895 356 D CB 1.763 42.562 40.800 -0.002 0.000 1.097 356 D HN 0.219 nan 8.370 nan 0.000 0.489 357 P HA -0.130 nan 4.420 nan 0.000 0.216 357 P C 0.715 178.021 177.300 0.011 0.000 1.153 357 P CA 0.936 64.040 63.100 0.006 0.000 0.858 357 P CB 0.367 32.071 31.700 0.008 0.000 0.789 358 D N -0.937 119.467 120.400 0.007 0.000 2.178 358 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 358 D C 1.815 178.128 176.300 0.021 0.000 0.974 358 D CA 0.968 54.970 54.000 0.004 0.000 0.841 358 D CB -0.236 40.555 40.800 -0.016 0.000 0.953 358 D HN 0.144 nan 8.370 nan 0.000 0.478 359 K N 0.704 121.130 120.400 0.044 0.000 2.057 359 K HA -0.075 4.245 4.320 -0.001 0.000 0.206 359 K C 2.158 178.847 176.600 0.148 0.000 1.050 359 K CA 0.185 56.549 56.287 0.129 0.000 0.935 359 K CB -0.688 31.893 32.500 0.136 0.000 0.715 359 K HN 0.153 nan 8.250 nan 0.000 0.439 360 L N 1.327 122.581 121.223 0.051 0.000 2.017 360 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 360 L C 2.184 179.087 176.870 0.055 0.000 1.073 360 L CA 2.028 56.880 54.840 0.019 0.000 0.745 360 L CB -0.895 41.155 42.059 -0.015 0.000 0.894 360 L HN 0.148 nan 8.230 nan 0.000 0.432 361 A N -1.487 121.360 122.820 0.044 0.000 1.933 361 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 361 A C 2.295 179.897 177.584 0.030 0.000 1.175 361 A CA 1.855 53.916 52.037 0.038 0.000 0.628 361 A CB -1.022 17.997 19.000 0.030 0.000 0.814 361 A HN 0.734 nan 8.150 nan 0.000 0.444 362 H N -2.301 116.702 119.070 -0.112 0.000 2.395 362 H HA -0.059 4.497 4.556 -0.001 0.000 0.299 362 H C 1.293 176.452 175.328 -0.281 0.000 1.070 362 H CA 1.869 57.761 56.048 -0.259 0.000 1.356 362 H CB -0.131 29.354 29.762 -0.462 0.000 1.401 362 H HN 0.539 nan 8.280 nan 0.000 0.524 363 Y N 0.792 121.084 120.300 -0.014 0.000 2.478 363 Y HA 0.130 4.680 4.550 -0.001 0.000 0.261 363 Y C 0.941 176.893 175.900 0.086 0.000 1.127 363 Y CA -0.050 58.045 58.100 -0.009 0.000 1.288 363 Y CB -0.013 38.498 38.460 0.085 0.000 1.084 363 Y HN 0.142 nan 8.280 nan 0.000 0.530 364 R N 0.640 121.263 120.500 0.204 0.000 2.734 364 R HA 0.134 4.473 4.340 -0.001 0.000 0.266 364 R C 0.289 176.668 176.300 0.132 0.000 1.044 364 R CA 1.018 57.243 56.100 0.209 0.000 1.128 364 R CB 0.018 30.404 30.300 0.144 0.000 1.010 364 R HN 0.173 nan 8.270 nan 0.000 0.461 365 T N -2.836 111.794 114.554 0.127 0.000 3.252 365 T HA 0.082 4.431 4.350 -0.001 0.000 0.286 365 T C -0.278 174.457 174.700 0.057 0.000 1.013 365 T CA -0.679 61.466 62.100 0.075 0.000 0.914 365 T CB -0.205 68.704 68.868 0.068 0.000 1.131 365 T HN 0.756 nan 8.240 nan 0.000 0.529 366 D N 0.000 120.438 120.400 0.064 0.000 6.856 366 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 366 D CA 0.000 54.030 54.000 0.049 0.000 0.868 366 D CB 0.000 40.835 40.800 0.059 0.000 0.688 366 D HN 0.000 nan 8.370 nan 0.000 0.683