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 3ezw_1_H DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSSTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIXX XXXXRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LINDAYDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.585 176.600 -0.025 0.000 1.382 2 E CA 0.000 56.382 56.400 -0.031 0.000 0.976 2 E CB 0.000 29.668 29.700 -0.053 0.000 0.812 3 K N 4.228 124.623 120.400 -0.008 0.000 2.054 3 K HA 0.084 4.403 4.320 -0.001 0.000 0.242 3 K C 0.282 176.898 176.600 0.027 0.000 1.157 3 K CA 0.118 56.416 56.287 0.018 0.000 1.079 3 K CB -0.051 32.475 32.500 0.043 0.000 1.331 3 K HN 0.429 nan 8.250 nan 0.000 0.317 4 K N 0.653 120.986 120.400 -0.111 0.000 2.426 4 K HA 0.025 4.344 4.320 -0.001 0.000 0.193 4 K C -0.138 176.180 176.600 -0.471 0.000 1.028 4 K CA 0.662 56.751 56.287 -0.330 0.000 1.047 4 K CB 0.152 32.265 32.500 -0.646 0.000 0.821 4 K HN 0.248 nan 8.250 nan 0.000 0.513 5 Y N -0.331 119.994 120.300 0.043 0.000 2.581 5 Y HA 0.432 4.982 4.550 -0.001 0.000 0.345 5 Y C -0.244 175.420 175.900 -0.393 0.000 1.036 5 Y CA -1.489 56.543 58.100 -0.114 0.000 1.042 5 Y CB 1.426 39.862 38.460 -0.039 0.000 1.289 5 Y HN -0.255 nan 8.280 nan 0.000 0.471 6 I N 2.479 122.930 120.570 -0.199 0.000 2.465 6 I HA 0.412 4.581 4.170 -0.001 0.000 0.291 6 I C -0.936 175.162 176.117 -0.032 0.000 1.014 6 I CA -0.850 60.298 61.300 -0.253 0.000 1.093 6 I CB 1.729 39.519 38.000 -0.351 0.000 1.267 6 I HN 0.309 nan 8.210 nan 0.000 0.431 7 V N 5.133 125.030 119.914 -0.029 0.000 2.483 7 V HA 0.718 4.838 4.120 -0.001 0.000 0.295 7 V C 0.278 176.380 176.094 0.014 0.000 1.035 7 V CA -0.592 61.705 62.300 -0.004 0.000 0.896 7 V CB 1.752 33.566 31.823 -0.016 0.000 0.986 7 V HN 0.864 nan 8.190 nan 0.000 0.447 8 A N 5.907 128.739 122.820 0.020 0.000 2.331 8 A HA 0.849 5.168 4.320 -0.001 0.000 0.320 8 A C -0.858 176.736 177.584 0.016 0.000 1.138 8 A CA -0.574 51.479 52.037 0.026 0.000 0.790 8 A CB 0.792 19.807 19.000 0.026 0.000 1.206 8 A HN 0.797 nan 8.150 nan 0.000 0.470 9 L N 2.102 123.337 121.223 0.020 0.000 2.275 9 L HA 0.428 4.767 4.340 -0.001 0.000 0.288 9 L C -0.602 176.285 176.870 0.027 0.000 1.046 9 L CA -0.581 54.270 54.840 0.018 0.000 0.805 9 L CB 1.398 43.469 42.059 0.020 0.000 1.193 9 L HN 0.698 nan 8.230 nan 0.000 0.426 10 D N 3.144 123.562 120.400 0.030 0.000 2.446 10 D HA 0.071 4.710 4.640 -0.001 0.000 0.251 10 D C -0.592 175.746 176.300 0.062 0.000 1.137 10 D CA -0.350 53.675 54.000 0.041 0.000 0.890 10 D CB 1.050 41.871 40.800 0.035 0.000 1.071 10 D HN 0.256 nan 8.370 nan 0.000 0.528 11 Q N 2.872 122.715 119.800 0.072 0.000 2.406 11 Q HA 0.481 4.821 4.340 -0.001 0.000 0.242 11 Q C -0.155 175.934 176.000 0.149 0.000 1.036 11 Q CA -0.481 55.382 55.803 0.100 0.000 0.904 11 Q CB 1.074 29.862 28.738 0.083 0.000 1.244 11 Q HN 0.634 nan 8.270 nan 0.000 0.478 12 G N 1.830 110.751 108.800 0.202 0.000 2.531 12 G HA2 0.284 4.243 3.960 -0.001 0.000 0.313 12 G HA3 0.284 4.243 3.960 -0.001 0.000 0.313 12 G C 0.670 175.779 174.900 0.349 0.000 1.238 12 G CA -0.238 45.000 45.100 0.231 0.000 0.994 12 G HN 0.554 nan 8.290 nan 0.000 0.493 13 T N -0.378 114.382 114.554 0.344 0.000 2.788 13 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 13 T C 2.442 177.232 174.700 0.148 0.000 1.044 13 T CA 2.252 64.615 62.100 0.437 0.000 1.139 13 T CB -0.235 68.963 68.868 0.550 0.000 0.867 13 T HN 0.718 nan 8.240 nan 0.000 0.454 14 T N -1.393 113.134 114.554 -0.045 0.000 2.971 14 T HA 0.346 4.695 4.350 -0.001 0.000 0.252 14 T C 0.670 175.019 174.700 -0.585 0.000 1.022 14 T CA 0.180 62.033 62.100 -0.411 0.000 0.980 14 T CB 0.235 69.009 68.868 -0.155 0.000 1.044 14 T HN 0.419 nan 8.240 nan 0.000 0.501 15 S N 0.047 115.675 115.700 -0.120 0.000 2.625 15 S HA 0.710 5.179 4.470 -0.001 0.000 0.271 15 S C -1.233 173.565 174.600 0.331 0.000 1.161 15 S CA -0.817 57.464 58.200 0.135 0.000 0.820 15 S CB 1.773 65.003 63.200 0.050 0.000 1.137 15 S HN 0.158 nan 8.310 nan 0.000 0.470 16 S N 0.630 116.503 115.700 0.287 0.000 2.509 16 S HA 0.729 5.198 4.470 -0.001 0.000 0.297 16 S C -0.447 174.201 174.600 0.079 0.000 1.118 16 S CA -0.927 57.360 58.200 0.145 0.000 1.074 16 S CB 0.791 64.024 63.200 0.055 0.000 1.038 16 S HN 0.668 nan 8.310 nan 0.000 0.498 17 R N 0.741 121.272 120.500 0.052 0.000 2.795 17 R HA 0.820 5.160 4.340 -0.001 0.000 0.275 17 R C -1.250 175.056 176.300 0.010 0.000 0.981 17 R CA -0.913 55.204 56.100 0.029 0.000 0.917 17 R CB 1.987 32.309 30.300 0.037 0.000 1.202 17 R HN 0.649 nan 8.270 nan 0.000 0.469 18 A N 1.482 124.300 122.820 -0.003 0.000 2.393 18 A HA 0.708 5.027 4.320 -0.001 0.000 0.306 18 A C -1.106 176.472 177.584 -0.010 0.000 1.050 18 A CA -0.679 51.350 52.037 -0.012 0.000 0.724 18 A CB 1.714 20.695 19.000 -0.031 0.000 1.248 18 A HN 0.344 nan 8.150 nan 0.000 0.424 19 V N 2.104 122.014 119.914 -0.006 0.000 2.588 19 V HA 0.523 4.642 4.120 -0.001 0.000 0.304 19 V C -0.466 175.627 176.094 -0.002 0.000 1.042 19 V CA -0.644 61.655 62.300 -0.001 0.000 0.877 19 V CB 1.721 33.551 31.823 0.010 0.000 0.996 19 V HN 0.685 nan 8.190 nan 0.000 0.425 20 V N 5.604 125.510 119.914 -0.014 0.000 2.435 20 V HA 0.600 4.719 4.120 -0.001 0.000 0.290 20 V C -0.149 175.977 176.094 0.054 0.000 1.030 20 V CA -0.299 61.986 62.300 -0.024 0.000 0.881 20 V CB 1.569 33.305 31.823 -0.145 0.000 0.983 20 V HN 0.878 nan 8.190 nan 0.000 0.445 21 M N 4.193 123.879 119.600 0.142 0.000 2.530 21 M HA 0.490 4.969 4.480 -0.001 0.000 0.307 21 M C -0.648 175.892 176.300 0.401 0.000 1.161 21 M CA -0.571 54.883 55.300 0.257 0.000 0.903 21 M CB 2.175 34.952 32.600 0.294 0.000 1.711 21 M HN 0.844 nan 8.290 nan 0.000 0.451 22 D N -0.663 120.004 120.400 0.444 0.000 2.539 22 D HA 0.096 4.735 4.640 -0.001 0.000 0.276 22 D C 0.666 177.304 176.300 0.563 0.000 1.206 22 D CA -0.130 54.147 54.000 0.461 0.000 1.081 22 D CB 0.148 41.157 40.800 0.348 0.000 1.142 22 D HN 0.684 nan 8.370 nan 0.000 0.595 23 H N -0.945 118.334 119.070 0.348 0.000 2.524 23 H HA -0.029 4.526 4.556 -0.001 0.000 0.282 23 H C -0.012 175.584 175.328 0.446 0.000 1.016 23 H CA 0.801 56.957 56.048 0.179 0.000 1.270 23 H CB 0.381 29.949 29.762 -0.324 0.000 1.394 23 H HN 0.349 nan 8.280 nan 0.000 0.568 24 D N 0.112 120.744 120.400 0.386 0.000 2.339 24 D HA 0.125 4.764 4.640 -0.001 0.000 0.217 24 D C 1.103 177.576 176.300 0.289 0.000 1.050 24 D CA 0.787 54.959 54.000 0.286 0.000 0.856 24 D CB 0.391 41.316 40.800 0.208 0.000 0.922 24 D HN 0.426 nan 8.370 nan 0.000 0.518 25 A N 0.929 124.015 122.820 0.444 0.000 2.905 25 A HA -0.266 4.053 4.320 -0.001 0.000 0.260 25 A C 0.051 177.784 177.584 0.249 0.000 1.398 25 A CA 0.379 52.651 52.037 0.391 0.000 0.840 25 A CB -2.667 16.501 19.000 0.280 0.000 1.059 25 A HN 0.410 nan 8.150 nan 0.000 0.647 26 N N 0.063 118.907 118.700 0.239 0.000 2.520 26 N HA 0.438 5.177 4.740 -0.001 0.000 0.273 26 N C 0.084 175.698 175.510 0.173 0.000 1.155 26 N CA -0.511 52.645 53.050 0.177 0.000 0.967 26 N CB 0.448 39.033 38.487 0.163 0.000 1.092 26 N HN 0.345 nan 8.380 nan 0.000 0.457 27 I N 3.853 124.495 120.570 0.119 0.000 2.363 27 I HA -0.003 4.166 4.170 -0.001 0.000 0.292 27 I C 0.984 177.147 176.117 0.077 0.000 1.075 27 I CA 0.033 61.387 61.300 0.090 0.000 1.333 27 I CB 0.341 38.376 38.000 0.059 0.000 1.415 27 I HN 0.619 nan 8.210 nan 0.000 0.502 28 I N 3.608 124.217 120.570 0.065 0.000 2.429 28 I HA 0.037 4.207 4.170 -0.001 0.000 0.247 28 I C 1.086 177.194 176.117 -0.014 0.000 1.099 28 I CA 0.943 62.261 61.300 0.029 0.000 1.422 28 I CB -0.266 37.722 38.000 -0.020 0.000 1.112 28 I HN 0.531 nan 8.210 nan 0.000 0.430 29 S N -0.443 115.237 115.700 -0.032 0.000 2.537 29 S HA 0.711 5.180 4.470 -0.001 0.000 0.270 29 S C -1.245 173.338 174.600 -0.028 0.000 1.142 29 S CA -0.420 57.756 58.200 -0.041 0.000 0.870 29 S CB 1.721 64.873 63.200 -0.081 0.000 1.112 29 S HN -0.155 nan 8.310 nan 0.000 0.466 30 V N 2.771 122.674 119.914 -0.019 0.000 2.808 30 V HA 0.697 4.816 4.120 -0.001 0.000 0.308 30 V C -0.694 175.393 176.094 -0.012 0.000 1.099 30 V CA -0.719 61.574 62.300 -0.011 0.000 0.920 30 V CB 2.087 33.911 31.823 0.002 0.000 1.014 30 V HN 0.840 nan 8.190 nan 0.000 0.425 31 S N 3.185 118.877 115.700 -0.013 0.000 2.526 31 S HA 0.773 5.242 4.470 -0.001 0.000 0.293 31 S C -0.959 173.640 174.600 -0.002 0.000 1.092 31 S CA -0.707 57.486 58.200 -0.012 0.000 0.980 31 S CB 2.085 65.270 63.200 -0.025 0.000 1.048 31 S HN 0.820 nan 8.310 nan 0.000 0.483 32 Q N 1.418 121.220 119.800 0.004 0.000 2.315 32 Q HA 0.708 5.047 4.340 -0.001 0.000 0.273 32 Q C -1.612 174.399 176.000 0.020 0.000 1.053 32 Q CA -0.813 55.001 55.803 0.019 0.000 0.817 32 Q CB 1.530 30.282 28.738 0.024 0.000 1.326 32 Q HN 0.482 nan 8.270 nan 0.000 0.423 33 R N 2.431 122.954 120.500 0.039 0.000 2.531 33 R HA 0.249 4.588 4.340 -0.001 0.000 0.293 33 R C -1.339 175.016 176.300 0.093 0.000 1.124 33 R CA -0.314 55.814 56.100 0.047 0.000 0.945 33 R CB 1.074 31.392 30.300 0.031 0.000 1.195 33 R HN 0.624 nan 8.270 nan 0.000 0.433 34 E N 4.277 124.502 120.200 0.041 0.000 2.390 34 E HA 0.248 4.597 4.350 -0.001 0.000 0.261 34 E C -0.137 176.493 176.600 0.050 0.000 1.076 34 E CA 0.047 56.432 56.400 -0.026 0.000 0.905 34 E CB 0.585 30.241 29.700 -0.072 0.000 0.984 34 E HN 0.451 nan 8.360 nan 0.000 0.427 35 F N -2.314 117.599 119.950 -0.062 0.000 2.643 35 F HA 0.441 4.968 4.527 -0.001 0.000 0.314 35 F C -0.085 175.664 175.800 -0.085 0.000 1.096 35 F CA -1.482 56.471 58.000 -0.077 0.000 0.953 35 F CB 0.912 39.849 39.000 -0.104 0.000 1.345 35 F HN 0.263 nan 8.300 nan 0.000 0.468 36 E N 1.360 121.604 120.200 0.074 0.000 2.344 36 E HA 0.110 4.460 4.350 -0.001 0.000 0.270 36 E C -0.968 175.613 176.600 -0.033 0.000 1.021 36 E CA -0.544 55.847 56.400 -0.015 0.000 0.887 36 E CB 0.697 30.417 29.700 0.032 0.000 0.997 36 E HN 0.478 nan 8.360 nan 0.000 0.429 37 Q N 4.126 123.836 119.800 -0.149 0.000 2.349 37 Q HA 0.304 4.643 4.340 -0.001 0.000 0.254 37 Q C -0.306 175.359 176.000 -0.559 0.000 0.980 37 Q CA -0.184 55.455 55.803 -0.273 0.000 0.924 37 Q CB 0.796 29.356 28.738 -0.296 0.000 1.209 37 Q HN 0.512 nan 8.270 nan 0.000 0.445 38 I N 3.128 123.434 120.570 -0.440 0.000 2.315 38 I HA 0.161 4.330 4.170 -0.001 0.000 0.291 38 I C -0.610 175.246 176.117 -0.434 0.000 1.006 38 I CA -0.695 60.402 61.300 -0.338 0.000 1.265 38 I CB 0.433 38.364 38.000 -0.116 0.000 1.387 38 I HN 0.388 nan 8.210 nan 0.000 0.475 39 Y N 6.994 127.311 120.300 0.028 0.000 2.863 39 Y HA 0.338 4.888 4.550 -0.001 0.000 0.348 39 Y C -1.787 174.122 175.900 0.014 0.000 1.028 39 Y CA -2.257 55.858 58.100 0.026 0.000 1.213 39 Y CB 0.169 38.629 38.460 0.000 0.000 1.120 39 Y HN 0.484 nan 8.280 nan 0.000 0.598 40 P HA -0.049 nan 4.420 nan 0.000 0.225 40 P C -0.408 176.829 177.300 -0.104 0.000 1.156 40 P CA 1.059 64.189 63.100 0.050 0.000 0.787 40 P CB 0.462 32.238 31.700 0.127 0.000 0.802 41 K N -3.274 117.037 120.400 -0.149 0.000 2.615 41 K HA 0.396 4.715 4.320 -0.001 0.000 0.291 41 K C -3.420 173.072 176.600 -0.181 0.000 1.017 41 K CA -2.280 53.827 56.287 -0.301 0.000 0.882 41 K CB -0.176 31.907 32.500 -0.696 0.000 1.522 41 K HN -0.396 nan 8.250 nan 0.000 0.412 42 P HA 0.014 nan 4.420 nan 0.000 0.261 42 P C 0.684 177.986 177.300 0.004 0.000 1.183 42 P CA 1.681 64.738 63.100 -0.073 0.000 0.761 42 P CB 0.125 31.785 31.700 -0.067 0.000 0.785 43 G N 1.064 109.892 108.800 0.046 0.000 2.205 43 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.261 43 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.261 43 G C -0.440 174.609 174.900 0.248 0.000 0.980 43 G CA -0.548 44.617 45.100 0.109 0.000 0.632 43 G HN 0.343 nan 8.290 nan 0.000 0.533 44 W N 0.014 121.280 121.300 -0.056 0.000 2.376 44 W HA 0.672 5.331 4.660 -0.001 0.000 0.322 44 W C 0.068 176.583 176.519 -0.008 0.000 1.160 44 W CA -1.078 56.219 57.345 -0.081 0.000 1.218 44 W CB 1.536 30.940 29.460 -0.093 0.000 1.205 44 W HN 0.247 nan 8.180 nan 0.000 0.559 45 V N 3.013 122.963 119.914 0.060 0.000 2.612 45 V HA 0.396 4.515 4.120 -0.001 0.000 0.301 45 V C -0.532 175.426 176.094 -0.226 0.000 1.059 45 V CA -1.251 61.007 62.300 -0.069 0.000 0.886 45 V CB 1.496 33.241 31.823 -0.129 0.000 1.007 45 V HN 0.489 nan 8.190 nan 0.000 0.426 46 E N 2.504 122.565 120.200 -0.230 0.000 2.343 46 E HA 0.655 5.004 4.350 -0.001 0.000 0.270 46 E C -1.402 175.102 176.600 -0.161 0.000 0.895 46 E CA -0.954 55.315 56.400 -0.218 0.000 0.767 46 E CB 2.787 32.423 29.700 -0.108 0.000 1.248 46 E HN 0.807 nan 8.360 nan 0.000 0.440 47 H N -0.108 118.937 119.070 -0.041 0.000 2.621 47 H HA 0.207 4.762 4.556 -0.001 0.000 0.360 47 H C -1.020 174.278 175.328 -0.051 0.000 1.163 47 H CA -1.130 54.930 56.048 0.020 0.000 1.194 47 H CB 1.711 31.532 29.762 0.098 0.000 1.649 47 H HN 0.365 nan 8.280 nan 0.000 0.532 48 D N 2.641 123.105 120.400 0.108 0.000 2.336 48 D HA 0.069 4.708 4.640 -0.001 0.000 0.249 48 D C -1.816 174.468 176.300 -0.026 0.000 1.213 48 D CA -2.428 51.576 54.000 0.007 0.000 0.870 48 D CB 1.378 42.193 40.800 0.024 0.000 1.076 48 D HN 0.272 nan 8.370 nan 0.000 0.483 49 P HA -0.088 nan 4.420 nan 0.000 0.222 49 P C 1.423 178.849 177.300 0.210 0.000 1.147 49 P CA 0.829 63.817 63.100 -0.186 0.000 0.790 49 P CB 0.154 31.413 31.700 -0.736 0.000 0.780 50 M N -1.179 118.533 119.600 0.187 0.000 2.419 50 M HA -0.028 4.451 4.480 -0.001 0.000 0.264 50 M C 1.961 178.391 176.300 0.216 0.000 1.082 50 M CA 1.228 56.720 55.300 0.320 0.000 1.119 50 M CB -1.187 31.549 32.600 0.226 0.000 1.398 50 M HN 0.090 nan 8.290 nan 0.000 0.453 51 E N 0.736 120.985 120.200 0.081 0.000 2.122 51 E HA -0.026 4.324 4.350 -0.001 0.000 0.190 51 E C 2.036 178.530 176.600 -0.176 0.000 0.977 51 E CA 0.346 56.737 56.400 -0.015 0.000 0.820 51 E CB 0.235 29.942 29.700 0.012 0.000 0.770 51 E HN 0.394 nan 8.360 nan 0.000 0.462 52 I N 1.040 121.446 120.570 -0.273 0.000 2.151 52 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 52 I C 2.417 178.499 176.117 -0.059 0.000 1.080 52 I CA 1.437 62.492 61.300 -0.409 0.000 1.339 52 I CB -0.476 37.396 38.000 -0.213 0.000 1.039 52 I HN 0.469 nan 8.210 nan 0.000 0.409 53 W N 1.935 123.227 121.300 -0.014 0.000 2.407 53 W HA -0.174 4.485 4.660 -0.001 0.000 0.305 53 W C 2.484 178.951 176.519 -0.087 0.000 1.196 53 W CA 1.236 58.547 57.345 -0.057 0.000 1.311 53 W CB -0.060 29.358 29.460 -0.069 0.000 1.135 53 W HN 0.110 nan 8.180 nan 0.000 0.514 54 A N 1.131 123.762 122.820 -0.316 0.000 1.930 54 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 54 A C 1.969 179.342 177.584 -0.353 0.000 1.175 54 A CA 2.871 54.642 52.037 -0.444 0.000 0.627 54 A CB -1.441 17.449 19.000 -0.184 0.000 0.815 54 A HN 0.451 nan 8.150 nan 0.000 0.443 55 T N -3.022 111.398 114.554 -0.223 0.000 2.857 55 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 55 T C 1.934 176.534 174.700 -0.168 0.000 1.048 55 T CA 1.572 63.588 62.100 -0.139 0.000 1.139 55 T CB -0.242 68.610 68.868 -0.027 0.000 0.874 55 T HN 0.349 nan 8.240 nan 0.000 0.455 56 Q N 1.943 121.615 119.800 -0.214 0.000 2.083 56 Q HA -0.000 4.339 4.340 -0.001 0.000 0.198 56 Q C 2.428 178.257 176.000 -0.284 0.000 0.969 56 Q CA 1.916 57.613 55.803 -0.177 0.000 0.838 56 Q CB -0.509 28.178 28.738 -0.084 0.000 0.900 56 Q HN 0.727 nan 8.270 nan 0.000 0.436 57 S N -0.574 114.789 115.700 -0.561 0.000 2.406 57 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 57 S C 2.022 176.401 174.600 -0.368 0.000 1.020 57 S CA 0.899 58.732 58.200 -0.612 0.000 0.965 57 S CB -0.506 61.994 63.200 -1.166 0.000 0.798 57 S HN 0.506 nan 8.310 nan 0.000 0.488 58 S N 2.611 118.119 115.700 -0.320 0.000 2.387 58 S HA -0.128 4.341 4.470 -0.001 0.000 0.226 58 S C 2.066 176.583 174.600 -0.139 0.000 1.026 58 S CA 1.303 59.381 58.200 -0.203 0.000 0.972 58 S CB -1.447 61.650 63.200 -0.171 0.000 0.814 58 S HN 0.719 nan 8.310 nan 0.000 0.477 59 T N 0.805 115.284 114.554 -0.125 0.000 2.904 59 T HA 0.075 4.424 4.350 -0.001 0.000 0.267 59 T C 1.722 176.373 174.700 -0.081 0.000 1.059 59 T CA 0.962 63.013 62.100 -0.081 0.000 1.137 59 T CB -0.668 68.168 68.868 -0.054 0.000 0.879 59 T HN 0.300 nan 8.240 nan 0.000 0.467 60 L N 1.463 122.625 121.223 -0.102 0.000 2.027 60 L HA 0.111 4.450 4.340 -0.001 0.000 0.206 60 L C 2.515 179.336 176.870 -0.082 0.000 1.074 60 L CA 1.349 56.138 54.840 -0.085 0.000 0.745 60 L CB -0.939 41.065 42.059 -0.091 0.000 0.898 60 L HN 0.139 nan 8.230 nan 0.000 0.433 61 V N -0.049 119.806 119.914 -0.097 0.000 2.343 61 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 61 V C 2.648 178.699 176.094 -0.070 0.000 1.051 61 V CA 1.994 64.244 62.300 -0.082 0.000 1.036 61 V CB -0.522 31.246 31.823 -0.092 0.000 0.654 61 V HN 0.600 nan 8.190 nan 0.000 0.451 62 E N 0.140 120.297 120.200 -0.072 0.000 2.038 62 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 62 E C 2.175 178.742 176.600 -0.056 0.000 1.000 62 E CA 2.096 58.461 56.400 -0.059 0.000 0.803 62 E CB -0.088 29.579 29.700 -0.054 0.000 0.750 62 E HN 0.578 nan 8.360 nan 0.000 0.448 63 V N -0.806 119.072 119.914 -0.060 0.000 2.594 63 V HA -0.186 3.933 4.120 -0.001 0.000 0.253 63 V C 2.066 178.112 176.094 -0.080 0.000 1.069 63 V CA 1.373 63.635 62.300 -0.063 0.000 1.082 63 V CB -0.540 31.247 31.823 -0.059 0.000 0.680 63 V HN 0.212 nan 8.190 nan 0.000 0.469 64 L N 0.174 121.350 121.223 -0.079 0.000 2.202 64 L HA 0.271 4.611 4.340 -0.001 0.000 0.205 64 L C 2.933 179.760 176.870 -0.071 0.000 1.083 64 L CA 1.047 55.834 54.840 -0.089 0.000 0.790 64 L CB -0.711 41.303 42.059 -0.075 0.000 0.942 64 L HN 0.347 nan 8.230 nan 0.000 0.452 65 A N 1.597 124.383 122.820 -0.057 0.000 1.898 65 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 65 A C 2.237 179.796 177.584 -0.042 0.000 1.181 65 A CA 1.815 53.825 52.037 -0.044 0.000 0.620 65 A CB -0.330 18.646 19.000 -0.041 0.000 0.819 65 A HN 0.497 nan 8.150 nan 0.000 0.442 66 K N -0.595 119.778 120.400 -0.045 0.000 2.296 66 K HA 0.309 4.629 4.320 -0.001 0.000 0.200 66 K C 1.482 178.057 176.600 -0.042 0.000 1.048 66 K CA 1.104 57.368 56.287 -0.038 0.000 0.966 66 K CB -0.187 32.293 32.500 -0.034 0.000 0.754 66 K HN 0.249 nan 8.250 nan 0.000 0.466 67 A N 1.407 124.191 122.820 -0.060 0.000 2.267 67 A HA 0.054 4.373 4.320 -0.001 0.000 0.213 67 A C 0.178 177.724 177.584 -0.064 0.000 1.192 67 A CA 0.389 52.381 52.037 -0.076 0.000 0.851 67 A CB -0.106 18.814 19.000 -0.133 0.000 0.881 67 A HN 0.411 nan 8.150 nan 0.000 0.494 68 D N -1.057 119.313 120.400 -0.049 0.000 2.746 68 D HA -0.144 4.495 4.640 -0.001 0.000 0.236 68 D C -0.532 175.754 176.300 -0.024 0.000 1.129 68 D CA 0.630 54.614 54.000 -0.028 0.000 0.691 68 D CB -1.714 39.080 40.800 -0.010 0.000 1.077 68 D HN 0.489 nan 8.370 nan 0.000 0.432 69 I N 0.718 121.254 120.570 -0.056 0.000 2.359 69 I HA 0.260 4.429 4.170 -0.001 0.000 0.294 69 I C 0.971 177.078 176.117 -0.017 0.000 0.987 69 I CA -0.517 60.754 61.300 -0.048 0.000 1.225 69 I CB 1.612 39.500 38.000 -0.187 0.000 1.366 69 I HN 0.188 nan 8.210 nan 0.000 0.466 70 S N 2.921 118.635 115.700 0.024 0.000 2.654 70 S HA 0.233 4.703 4.470 -0.001 0.000 0.283 70 S C 1.066 175.684 174.600 0.031 0.000 1.180 70 S CA -0.145 58.066 58.200 0.020 0.000 1.021 70 S CB 1.714 64.928 63.200 0.023 0.000 1.018 70 S HN 0.719 nan 8.310 nan 0.000 0.532 71 S N 0.296 116.006 115.700 0.016 0.000 2.447 71 S HA -0.142 4.328 4.470 -0.001 0.000 0.233 71 S C 1.029 175.644 174.600 0.025 0.000 1.006 71 S CA 1.077 59.286 58.200 0.015 0.000 0.957 71 S CB -0.867 62.335 63.200 0.003 0.000 0.773 71 S HN 0.906 nan 8.310 nan 0.000 0.507 72 D N 0.794 121.211 120.400 0.028 0.000 2.349 72 D HA -0.026 4.613 4.640 -0.001 0.000 0.224 72 D C 1.523 177.847 176.300 0.041 0.000 1.029 72 D CA 0.334 54.350 54.000 0.026 0.000 0.879 72 D CB -0.559 40.251 40.800 0.017 0.000 0.906 72 D HN 0.547 nan 8.370 nan 0.000 0.528 73 Q N -0.349 119.494 119.800 0.072 0.000 2.319 73 Q HA 0.156 4.495 4.340 -0.001 0.000 0.202 73 Q C -0.212 175.872 176.000 0.140 0.000 0.896 73 Q CA -0.110 55.764 55.803 0.118 0.000 0.942 73 Q CB 0.834 29.706 28.738 0.222 0.000 1.083 73 Q HN 0.268 nan 8.270 nan 0.000 0.510 74 I N 0.545 121.164 120.570 0.083 0.000 2.307 74 I HA 0.177 4.346 4.170 -0.001 0.000 0.289 74 I C 0.969 177.076 176.117 -0.016 0.000 1.021 74 I CA -0.534 60.794 61.300 0.046 0.000 1.224 74 I CB 0.559 38.573 38.000 0.023 0.000 1.376 74 I HN -0.019 nan 8.210 nan 0.000 0.470 75 A N 5.417 128.183 122.820 -0.090 0.000 1.877 75 A HA 0.391 4.710 4.320 -0.001 0.000 0.216 75 A C 1.070 178.596 177.584 -0.096 0.000 1.186 75 A CA 1.634 53.606 52.037 -0.108 0.000 0.620 75 A CB 0.036 18.885 19.000 -0.251 0.000 0.822 75 A HN 0.850 nan 8.150 nan 0.000 0.443 76 A N -2.294 120.445 122.820 -0.136 0.000 2.564 76 A HA 0.635 4.954 4.320 -0.001 0.000 0.291 76 A C -1.426 176.130 177.584 -0.046 0.000 1.102 76 A CA -0.571 51.428 52.037 -0.062 0.000 0.660 76 A CB 0.261 19.237 19.000 -0.039 0.000 1.283 76 A HN 0.294 nan 8.150 nan 0.000 0.430 77 I N 1.000 121.571 120.570 0.002 0.000 2.378 77 I HA 0.553 4.722 4.170 -0.001 0.000 0.291 77 I C 0.759 176.913 176.117 0.062 0.000 0.992 77 I CA -0.398 60.917 61.300 0.025 0.000 1.154 77 I CB 2.061 40.080 38.000 0.030 0.000 1.315 77 I HN 0.776 nan 8.210 nan 0.000 0.448 78 G N 6.485 115.324 108.800 0.065 0.000 2.389 78 G HA2 0.765 4.724 3.960 -0.001 0.000 0.317 78 G HA3 0.765 4.724 3.960 -0.001 0.000 0.317 78 G C -0.790 174.147 174.900 0.062 0.000 1.137 78 G CA -0.411 44.740 45.100 0.086 0.000 0.870 78 G HN 0.477 nan 8.290 nan 0.000 0.496 79 I N 0.685 121.290 120.570 0.057 0.000 2.436 79 I HA 0.476 4.645 4.170 -0.001 0.000 0.289 79 I C 0.092 176.219 176.117 0.018 0.000 1.010 79 I CA -0.444 60.875 61.300 0.032 0.000 1.098 79 I CB 2.646 40.654 38.000 0.014 0.000 1.266 79 I HN 0.475 nan 8.210 nan 0.000 0.434 80 T N 5.526 120.092 114.554 0.019 0.000 2.903 80 T HA 0.631 4.980 4.350 -0.001 0.000 0.299 80 T C -1.693 173.022 174.700 0.025 0.000 1.093 80 T CA -0.665 61.442 62.100 0.011 0.000 1.002 80 T CB 1.287 70.159 68.868 0.007 0.000 1.127 80 T HN 0.823 nan 8.240 nan 0.000 0.488 81 N N 1.893 120.605 118.700 0.020 0.000 2.598 81 N HA 0.187 4.926 4.740 -0.001 0.000 0.263 81 N C -1.308 174.224 175.510 0.036 0.000 1.254 81 N CA -0.868 52.212 53.050 0.050 0.000 0.863 81 N CB 1.337 39.863 38.487 0.065 0.000 1.586 81 N HN 0.822 nan 8.380 nan 0.000 0.491 82 Q N 0.849 120.705 119.800 0.093 0.000 2.308 82 Q HA 0.114 4.454 4.340 -0.001 0.000 0.313 82 Q C -0.413 175.645 176.000 0.096 0.000 1.075 82 Q CA 0.264 56.132 55.803 0.108 0.000 0.995 82 Q CB 0.551 29.497 28.738 0.346 0.000 1.107 82 Q HN 0.395 nan 8.270 nan 0.000 0.380 83 R N 2.018 122.508 120.500 -0.017 0.000 2.546 83 R HA 0.151 4.491 4.340 -0.001 0.000 0.266 83 R C 0.044 176.435 176.300 0.152 0.000 1.086 83 R CA -0.318 55.800 56.100 0.029 0.000 1.160 83 R CB 0.472 30.748 30.300 -0.039 0.000 1.138 83 R HN 0.912 nan 8.270 nan 0.000 0.567 84 E N -1.637 118.673 120.200 0.183 0.000 4.924 84 E HA -0.213 4.136 4.350 -0.001 0.000 0.229 84 E C -0.526 176.242 176.600 0.279 0.000 0.912 84 E CA 2.055 58.610 56.400 0.258 0.000 1.857 84 E CB -1.320 28.545 29.700 0.274 0.000 1.787 84 E HN 0.676 nan 8.360 nan 0.000 0.427 85 T N 2.120 116.852 114.554 0.296 0.000 2.866 85 T HA 0.185 4.534 4.350 -0.001 0.000 0.293 85 T C 0.041 174.837 174.700 0.159 0.000 1.005 85 T CA 0.980 63.211 62.100 0.219 0.000 1.162 85 T CB 0.508 69.531 68.868 0.259 0.000 0.968 85 T HN 0.095 nan 8.240 nan 0.000 0.530 86 T N 5.002 119.635 114.554 0.132 0.000 2.779 86 T HA 0.614 4.963 4.350 -0.001 0.000 0.280 86 T C 0.029 174.779 174.700 0.084 0.000 0.987 86 T CA -0.517 61.685 62.100 0.170 0.000 0.966 86 T CB 0.523 69.544 68.868 0.255 0.000 0.933 86 T HN 0.410 nan 8.240 nan 0.000 0.442 87 I N 2.609 123.206 120.570 0.045 0.000 2.608 87 I HA 0.626 4.795 4.170 -0.001 0.000 0.295 87 I C -0.827 175.395 176.117 0.176 0.000 1.049 87 I CA -1.215 60.093 61.300 0.013 0.000 1.063 87 I CB 2.289 40.133 38.000 -0.260 0.000 1.248 87 I HN 0.237 nan 8.210 nan 0.000 0.424 88 V N 4.652 124.668 119.914 0.170 0.000 2.588 88 V HA 0.564 4.684 4.120 -0.001 0.000 0.304 88 V C -1.266 174.933 176.094 0.174 0.000 1.042 88 V CA -0.428 61.952 62.300 0.134 0.000 0.877 88 V CB 1.770 33.651 31.823 0.096 0.000 0.996 88 V HN 0.900 nan 8.190 nan 0.000 0.425 89 W N 2.348 123.550 121.300 -0.164 0.000 3.075 89 W HA 0.726 5.385 4.660 -0.001 0.000 0.334 89 W C -0.968 175.450 176.519 -0.169 0.000 1.243 89 W CA -0.909 56.331 57.345 -0.174 0.000 1.170 89 W CB 0.939 30.261 29.460 -0.231 0.000 1.452 89 W HN 0.474 nan 8.180 nan 0.000 0.572 90 E N 2.622 122.909 120.200 0.145 0.000 2.257 90 E HA 0.005 4.354 4.350 -0.001 0.000 0.278 90 E C 1.030 177.698 176.600 0.114 0.000 1.049 90 E CA -0.403 56.033 56.400 0.059 0.000 0.876 90 E CB 1.749 31.521 29.700 0.120 0.000 1.035 90 E HN 0.517 nan 8.360 nan 0.000 0.419 91 K N 3.442 123.815 120.400 -0.046 0.000 2.103 91 K HA -0.254 4.065 4.320 -0.001 0.000 0.207 91 K C 1.687 178.475 176.600 0.314 0.000 1.048 91 K CA 1.820 58.148 56.287 0.068 0.000 0.930 91 K CB 0.208 32.684 32.500 -0.040 0.000 0.716 91 K HN 0.401 nan 8.250 nan 0.000 0.444 92 E N -0.222 120.093 120.200 0.193 0.000 2.170 92 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 92 E C 1.476 178.192 176.600 0.193 0.000 0.981 92 E CA 1.705 58.206 56.400 0.169 0.000 0.830 92 E CB 0.139 29.898 29.700 0.097 0.000 0.775 92 E HN 0.406 nan 8.360 nan 0.000 0.470 93 T N -4.607 110.080 114.554 0.221 0.000 2.971 93 T HA 0.334 4.683 4.350 -0.001 0.000 0.252 93 T C 1.604 176.467 174.700 0.272 0.000 1.022 93 T CA 0.353 62.571 62.100 0.197 0.000 0.980 93 T CB 0.442 69.398 68.868 0.148 0.000 1.044 93 T HN 0.338 nan 8.240 nan 0.000 0.501 94 G N 2.065 111.130 108.800 0.442 0.000 2.162 94 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 94 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 94 G C -0.058 175.055 174.900 0.356 0.000 0.976 94 G CA 0.229 45.650 45.100 0.535 0.000 0.655 94 G HN 0.670 nan 8.290 nan 0.000 0.533 95 K N 1.280 121.847 120.400 0.277 0.000 2.297 95 K HA 0.397 4.716 4.320 -0.001 0.000 0.286 95 K C -2.502 174.207 176.600 0.182 0.000 1.053 95 K CA -1.668 54.738 56.287 0.197 0.000 0.940 95 K CB 1.134 33.721 32.500 0.144 0.000 1.019 95 K HN 0.075 nan 8.250 nan 0.000 0.475 96 P HA 0.033 nan 4.420 nan 0.000 0.271 96 P C 0.435 177.788 177.300 0.088 0.000 1.218 96 P CA -0.132 62.992 63.100 0.039 0.000 0.780 96 P CB 0.437 32.064 31.700 -0.121 0.000 0.901 97 I N -1.239 119.406 120.570 0.126 0.000 3.783 97 I HA 0.347 4.516 4.170 -0.001 0.000 0.310 97 I C -0.201 176.071 176.117 0.259 0.000 1.274 97 I CA 0.424 61.817 61.300 0.155 0.000 1.294 97 I CB 0.014 38.091 38.000 0.127 0.000 1.051 97 I HN 0.151 nan 8.210 nan 0.000 0.435 98 Y N 0.852 121.197 120.300 0.076 0.000 2.689 98 Y HA 0.430 4.980 4.550 -0.001 0.000 0.333 98 Y C -0.506 175.404 175.900 0.015 0.000 1.208 98 Y CA -1.118 57.036 58.100 0.090 0.000 1.055 98 Y CB 1.043 39.594 38.460 0.152 0.000 1.304 98 Y HN -0.110 nan 8.280 nan 0.000 0.455 99 N N 1.300 119.676 118.700 -0.540 0.000 2.340 99 N HA 0.318 5.057 4.740 -0.001 0.000 0.236 99 N C -0.671 174.815 175.510 -0.040 0.000 1.296 99 N CA 0.685 53.562 53.050 -0.289 0.000 0.896 99 N CB 0.533 38.791 38.487 -0.382 0.000 1.127 99 N HN 0.742 nan 8.380 nan 0.000 0.442 100 A N 1.300 124.069 122.820 -0.085 0.000 2.520 100 A HA 0.210 4.529 4.320 -0.001 0.000 0.245 100 A C 0.366 177.913 177.584 -0.061 0.000 1.072 100 A CA 0.063 52.065 52.037 -0.059 0.000 0.761 100 A CB -0.376 18.592 19.000 -0.053 0.000 1.004 100 A HN 0.590 nan 8.150 nan 0.000 0.499 101 I N 3.815 124.357 120.570 -0.046 0.000 2.312 101 I HA 0.188 4.357 4.170 -0.001 0.000 0.290 101 I C -0.102 175.928 176.117 -0.145 0.000 1.008 101 I CA -0.544 60.672 61.300 -0.138 0.000 1.226 101 I CB 1.346 39.231 38.000 -0.192 0.000 1.371 101 I HN 0.344 nan 8.210 nan 0.000 0.468 102 V N 6.372 126.130 119.914 -0.260 0.000 3.003 102 V HA -0.007 4.112 4.120 -0.001 0.000 0.305 102 V C 1.248 177.259 176.094 -0.139 0.000 1.078 102 V CA -0.373 61.760 62.300 -0.280 0.000 1.083 102 V CB 1.028 32.499 31.823 -0.586 0.000 1.039 102 V HN 0.942 nan 8.190 nan 0.000 0.481 103 W N 1.694 122.999 121.300 0.009 0.000 2.341 103 W HA -0.213 4.446 4.660 -0.001 0.000 0.283 103 W C 1.184 177.695 176.519 -0.013 0.000 1.215 103 W CA 1.222 58.630 57.345 0.105 0.000 1.211 103 W CB -0.634 28.993 29.460 0.279 0.000 1.131 103 W HN 0.671 nan 8.180 nan 0.000 0.552 104 Q N 0.429 119.797 119.800 -0.720 0.000 2.389 104 Q HA 0.012 4.351 4.340 -0.001 0.000 0.204 104 Q C 1.251 177.006 176.000 -0.408 0.000 0.944 104 Q CA 0.357 55.696 55.803 -0.775 0.000 0.908 104 Q CB 0.023 28.170 28.738 -0.985 0.000 1.002 104 Q HN 0.110 nan 8.270 nan 0.000 0.493 105 C N 1.982 121.090 119.300 -0.321 0.000 2.596 105 C HA 0.035 4.494 4.460 -0.001 0.000 0.414 105 C C 1.169 176.012 174.990 -0.245 0.000 1.396 105 C CA -0.133 58.721 59.018 -0.273 0.000 1.698 105 C CB -0.118 27.409 27.740 -0.355 0.000 2.572 105 C HN 0.378 nan 8.230 nan 0.000 0.604 106 R N 3.802 124.183 120.500 -0.199 0.000 2.468 106 R HA 0.060 4.399 4.340 -0.001 0.000 0.280 106 R C 2.059 178.255 176.300 -0.172 0.000 0.963 106 R CA 0.028 56.045 56.100 -0.138 0.000 1.083 106 R CB -0.526 29.745 30.300 -0.049 0.000 1.200 106 R HN 0.877 nan 8.270 nan 0.000 0.541 107 R N 0.339 120.566 120.500 -0.455 0.000 2.193 107 R HA -0.060 4.280 4.340 -0.001 0.000 0.229 107 R C 0.741 176.874 176.300 -0.278 0.000 1.110 107 R CA 1.841 57.597 56.100 -0.572 0.000 0.988 107 R CB -0.541 28.765 30.300 -1.656 0.000 0.871 107 R HN -0.016 nan 8.270 nan 0.000 0.458 108 T N -2.786 111.626 114.554 -0.237 0.000 3.272 108 T HA 0.413 4.762 4.350 -0.001 0.000 0.250 108 T C 1.638 176.320 174.700 -0.029 0.000 1.082 108 T CA 0.143 62.192 62.100 -0.084 0.000 0.968 108 T CB 0.792 69.624 68.868 -0.060 0.000 1.015 108 T HN 0.325 nan 8.240 nan 0.000 0.563 109 A N 1.932 124.737 122.820 -0.026 0.000 1.933 109 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 109 A C 2.310 179.875 177.584 -0.031 0.000 1.175 109 A CA 1.654 53.685 52.037 -0.010 0.000 0.628 109 A CB -0.609 18.395 19.000 0.006 0.000 0.814 109 A HN 0.661 nan 8.150 nan 0.000 0.444 110 E N -0.143 120.026 120.200 -0.051 0.000 2.072 110 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 110 E C 1.830 178.234 176.600 -0.327 0.000 0.985 110 E CA 1.096 57.386 56.400 -0.184 0.000 0.801 110 E CB -0.244 29.374 29.700 -0.137 0.000 0.750 110 E HN 0.643 nan 8.360 nan 0.000 0.452 111 I N 0.645 121.130 120.570 -0.142 0.000 2.264 111 I HA -0.369 3.801 4.170 -0.001 0.000 0.248 111 I C 2.438 178.542 176.117 -0.022 0.000 1.111 111 I CA 0.814 62.077 61.300 -0.061 0.000 1.382 111 I CB -0.272 37.751 38.000 0.038 0.000 1.060 111 I HN 0.370 nan 8.210 nan 0.000 0.418 112 C N 0.178 119.469 119.300 -0.014 0.000 2.457 112 C HA -0.085 4.374 4.460 -0.001 0.000 0.278 112 C C 2.731 177.742 174.990 0.035 0.000 1.309 112 C CA 0.435 59.472 59.018 0.032 0.000 1.735 112 C CB -0.840 26.924 27.740 0.041 0.000 1.992 112 C HN 0.460 nan 8.230 nan 0.000 0.493 113 E N 0.424 120.617 120.200 -0.011 0.000 2.110 113 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 113 E C 1.876 178.552 176.600 0.127 0.000 0.988 113 E CA 1.271 57.690 56.400 0.031 0.000 0.804 113 E CB -0.452 29.249 29.700 0.001 0.000 0.745 113 E HN 0.676 nan 8.360 nan 0.000 0.458 114 H N 0.308 119.402 119.070 0.040 0.000 2.357 114 H HA 0.006 4.561 4.556 -0.001 0.000 0.301 114 H C 2.334 177.678 175.328 0.026 0.000 1.082 114 H CA 0.721 56.786 56.048 0.030 0.000 1.342 114 H CB -0.483 29.295 29.762 0.027 0.000 1.389 114 H HN 0.109 nan 8.280 nan 0.000 0.511 115 L N 0.464 121.781 121.223 0.157 0.000 2.012 115 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 115 L C 2.390 179.308 176.870 0.080 0.000 1.073 115 L CA 1.545 56.443 54.840 0.097 0.000 0.748 115 L CB -0.349 41.760 42.059 0.083 0.000 0.891 115 L HN 0.223 nan 8.230 nan 0.000 0.431 116 K N -0.329 120.120 120.400 0.081 0.000 2.057 116 K HA -0.193 4.127 4.320 -0.001 0.000 0.206 116 K C 2.246 178.883 176.600 0.062 0.000 1.050 116 K CA 1.081 57.408 56.287 0.067 0.000 0.935 116 K CB -0.250 32.289 32.500 0.066 0.000 0.715 116 K HN 0.203 nan 8.250 nan 0.000 0.439 117 R N 1.328 121.873 120.500 0.076 0.000 2.120 117 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 117 R C 0.501 176.822 176.300 0.036 0.000 1.123 117 R CA 1.684 57.820 56.100 0.061 0.000 0.975 117 R CB 0.008 30.359 30.300 0.086 0.000 0.866 117 R HN 0.090 nan 8.270 nan 0.000 0.446 118 D N -0.781 119.642 120.400 0.038 0.000 2.328 118 D HA 0.119 4.758 4.640 -0.001 0.000 0.226 118 D C 0.774 177.084 176.300 0.016 0.000 1.066 118 D CA 0.919 54.929 54.000 0.016 0.000 0.861 118 D CB 0.548 41.355 40.800 0.012 0.000 0.912 118 D HN 0.521 nan 8.370 nan 0.000 0.521 119 G N 0.657 109.474 108.800 0.028 0.000 2.148 119 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.254 119 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.254 119 G C 0.974 175.900 174.900 0.044 0.000 0.981 119 G CA 0.238 45.356 45.100 0.030 0.000 0.670 119 G HN 0.433 nan 8.290 nan 0.000 0.528 120 L N 0.251 121.504 121.223 0.051 0.000 2.599 120 L HA 0.185 4.524 4.340 -0.001 0.000 0.230 120 L C 2.353 179.282 176.870 0.098 0.000 1.141 120 L CA 1.046 55.935 54.840 0.082 0.000 0.877 120 L CB -0.076 42.027 42.059 0.073 0.000 1.009 120 L HN 0.545 nan 8.230 nan 0.000 0.447 121 E N 1.081 121.320 120.200 0.065 0.000 2.048 121 E HA -0.345 4.005 4.350 -0.001 0.000 0.202 121 E C 1.684 178.308 176.600 0.040 0.000 1.021 121 E CA 2.265 58.691 56.400 0.044 0.000 0.825 121 E CB 0.021 29.740 29.700 0.032 0.000 0.756 121 E HN 0.449 nan 8.360 nan 0.000 0.454 122 D N -1.040 119.389 120.400 0.048 0.000 2.117 122 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 122 D C 1.930 178.246 176.300 0.026 0.000 0.987 122 D CA 1.266 55.284 54.000 0.029 0.000 0.829 122 D CB -0.383 40.434 40.800 0.028 0.000 0.961 122 D HN 0.376 nan 8.370 nan 0.000 0.460 123 Y N 0.670 120.963 120.300 -0.011 0.000 2.165 123 Y HA -0.132 4.417 4.550 -0.001 0.000 0.286 123 Y C 2.048 177.941 175.900 -0.012 0.000 1.155 123 Y CA 1.621 59.715 58.100 -0.011 0.000 1.164 123 Y CB -0.206 38.250 38.460 -0.007 0.000 0.978 123 Y HN 0.042 nan 8.280 nan 0.000 0.513 124 I N -0.125 120.490 120.570 0.076 0.000 2.286 124 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 124 I C 2.634 178.692 176.117 -0.098 0.000 1.104 124 I CA 1.513 62.820 61.300 0.011 0.000 1.397 124 I CB -0.392 37.644 38.000 0.059 0.000 1.072 124 I HN 0.152 nan 8.210 nan 0.000 0.417 125 R N 0.624 121.076 120.500 -0.080 0.000 2.115 125 R HA -0.099 4.240 4.340 -0.001 0.000 0.230 125 R C 2.193 178.435 176.300 -0.096 0.000 1.111 125 R CA 1.594 57.640 56.100 -0.090 0.000 0.976 125 R CB -0.032 30.232 30.300 -0.060 0.000 0.870 125 R HN 0.123 nan 8.270 nan 0.000 0.445 126 S N 0.351 115.972 115.700 -0.132 0.000 2.436 126 S HA 0.075 4.544 4.470 -0.001 0.000 0.228 126 S C 1.146 175.687 174.600 -0.099 0.000 1.014 126 S CA 0.673 58.798 58.200 -0.125 0.000 0.950 126 S CB 0.045 63.139 63.200 -0.177 0.000 0.784 126 S HN 0.455 nan 8.310 nan 0.000 0.504 127 N N 0.302 118.859 118.700 -0.239 0.000 2.407 127 N HA 0.033 4.772 4.740 -0.001 0.000 0.182 127 N C 1.486 176.897 175.510 -0.166 0.000 1.079 127 N CA 1.261 54.178 53.050 -0.221 0.000 0.882 127 N CB 0.431 38.569 38.487 -0.581 0.000 1.106 127 N HN 0.542 nan 8.380 nan 0.000 0.461 128 T N -3.692 110.765 114.554 -0.161 0.000 2.975 128 T HA 0.302 4.651 4.350 -0.001 0.000 0.257 128 T C 1.374 175.979 174.700 -0.158 0.000 1.003 128 T CA 0.855 62.872 62.100 -0.139 0.000 0.932 128 T CB 0.789 69.589 68.868 -0.113 0.000 1.087 128 T HN 0.171 nan 8.240 nan 0.000 0.512 129 G N 1.567 110.281 108.800 -0.142 0.000 2.212 129 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.266 129 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.266 129 G C -0.026 174.771 174.900 -0.170 0.000 0.978 129 G CA 0.516 45.543 45.100 -0.122 0.000 0.632 129 G HN 0.672 nan 8.290 nan 0.000 0.537 130 L N 0.489 121.556 121.223 -0.261 0.000 2.431 130 L HA 0.765 5.105 4.340 -0.001 0.000 0.260 130 L C 1.203 177.913 176.870 -0.266 0.000 1.098 130 L CA -1.087 53.503 54.840 -0.416 0.000 0.800 130 L CB 1.360 42.909 42.059 -0.849 0.000 1.210 130 L HN 0.242 nan 8.230 nan 0.000 0.465 131 V N -0.992 118.766 119.914 -0.260 0.000 2.716 131 V HA 0.431 4.551 4.120 -0.001 0.000 0.304 131 V C 0.053 176.122 176.094 -0.040 0.000 1.053 131 V CA -0.682 61.474 62.300 -0.241 0.000 0.984 131 V CB 1.470 32.867 31.823 -0.708 0.000 1.021 131 V HN 0.511 nan 8.190 nan 0.000 0.467 132 I N 3.421 123.965 120.570 -0.044 0.000 2.406 132 I HA 0.453 4.622 4.170 -0.001 0.000 0.293 132 I C -0.173 175.980 176.117 0.060 0.000 1.101 132 I CA 0.759 62.089 61.300 0.050 0.000 1.334 132 I CB -0.150 37.876 38.000 0.043 0.000 1.421 132 I HN 0.915 nan 8.210 nan 0.000 0.513 133 D N 6.742 127.227 120.400 0.141 0.000 2.745 133 D HA 0.257 4.896 4.640 -0.001 0.000 0.221 133 D C -2.283 174.080 176.300 0.106 0.000 1.237 133 D CA -1.134 52.941 54.000 0.125 0.000 0.781 133 D CB 2.319 43.197 40.800 0.130 0.000 1.575 133 D HN 0.016 nan 8.370 nan 0.000 0.482 134 P HA -0.127 nan 4.420 nan 0.000 0.229 134 P C 0.762 178.069 177.300 0.011 0.000 1.150 134 P CA 0.495 63.603 63.100 0.014 0.000 0.765 134 P CB -0.022 31.658 31.700 -0.032 0.000 0.783 135 Y N 0.238 120.393 120.300 -0.242 0.000 2.165 135 Y HA -0.118 4.431 4.550 -0.001 0.000 0.286 135 Y C 0.744 176.427 175.900 -0.361 0.000 1.155 135 Y CA 0.440 58.303 58.100 -0.395 0.000 1.164 135 Y CB -1.049 36.989 38.460 -0.704 0.000 0.978 135 Y HN -0.185 nan 8.280 nan 0.000 0.513 136 F N -0.571 119.489 119.950 0.184 0.000 2.370 136 F HA 0.253 4.779 4.527 -0.001 0.000 0.324 136 F C 1.859 177.717 175.800 0.097 0.000 1.116 136 F CA -0.089 57.946 58.000 0.058 0.000 1.123 136 F CB 0.435 39.429 39.000 -0.010 0.000 1.238 136 F HN -0.347 nan 8.300 nan 0.000 0.536 137 S N 0.846 116.729 115.700 0.306 0.000 2.399 137 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 137 S C 2.290 176.969 174.600 0.132 0.000 1.022 137 S CA 1.211 59.554 58.200 0.240 0.000 0.983 137 S CB -0.728 62.680 63.200 0.348 0.000 0.803 137 S HN 0.946 nan 8.310 nan 0.000 0.480 138 G N 2.163 111.030 108.800 0.112 0.000 2.446 138 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 138 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 138 G C 1.670 176.582 174.900 0.020 0.000 1.168 138 G CA 1.736 46.844 45.100 0.014 0.000 0.771 138 G HN 0.636 nan 8.290 nan 0.000 0.551 139 T N -0.675 113.919 114.554 0.066 0.000 2.881 139 T HA -0.001 4.349 4.350 -0.001 0.000 0.270 139 T C 2.147 176.888 174.700 0.068 0.000 1.068 139 T CA 1.567 63.705 62.100 0.062 0.000 1.131 139 T CB -0.177 68.731 68.868 0.067 0.000 0.871 139 T HN 0.375 nan 8.240 nan 0.000 0.479 140 K N 0.700 121.132 120.400 0.053 0.000 2.103 140 K HA 0.085 4.404 4.320 -0.001 0.000 0.204 140 K C 2.380 179.034 176.600 0.090 0.000 1.052 140 K CA 0.982 57.291 56.287 0.037 0.000 0.945 140 K CB -0.371 32.138 32.500 0.015 0.000 0.722 140 K HN 0.204 nan 8.250 nan 0.000 0.443 141 V N 2.223 122.170 119.914 0.055 0.000 2.295 141 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 141 V C 2.392 178.495 176.094 0.014 0.000 1.049 141 V CA 1.798 64.109 62.300 0.017 0.000 1.024 141 V CB -0.458 31.277 31.823 -0.147 0.000 0.648 141 V HN 0.338 nan 8.190 nan 0.000 0.447 142 K N -1.028 119.378 120.400 0.010 0.000 2.063 142 K HA -0.283 4.036 4.320 -0.001 0.000 0.208 142 K C 2.049 178.656 176.600 0.012 0.000 1.048 142 K CA 2.170 58.456 56.287 -0.001 0.000 0.928 142 K CB -0.367 32.139 32.500 0.010 0.000 0.713 142 K HN 0.558 nan 8.250 nan 0.000 0.442 143 W N 1.392 122.625 121.300 -0.112 0.000 2.335 143 W HA -0.203 4.457 4.660 -0.001 0.000 0.311 143 W C 1.622 178.039 176.519 -0.169 0.000 1.213 143 W CA 1.804 59.057 57.345 -0.154 0.000 1.274 143 W CB -0.103 29.214 29.460 -0.238 0.000 1.148 143 W HN 0.045 nan 8.180 nan 0.000 0.498 144 I N 0.038 120.709 120.570 0.167 0.000 2.252 144 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 144 I C 2.294 178.369 176.117 -0.070 0.000 1.102 144 I CA 1.174 62.505 61.300 0.051 0.000 1.385 144 I CB -0.613 37.457 38.000 0.116 0.000 1.064 144 I HN -0.002 nan 8.210 nan 0.000 0.414 145 L N 0.060 121.245 121.223 -0.063 0.000 2.217 145 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 145 L C 1.792 178.584 176.870 -0.130 0.000 1.107 145 L CA 0.948 55.740 54.840 -0.079 0.000 0.783 145 L CB -0.516 41.500 42.059 -0.072 0.000 0.919 145 L HN 0.227 nan 8.230 nan 0.000 0.442 146 D N -1.447 118.837 120.400 -0.194 0.000 2.234 146 D HA -0.167 4.472 4.640 -0.001 0.000 0.205 146 D C 1.933 178.055 176.300 -0.297 0.000 0.962 146 D CA 0.988 54.846 54.000 -0.238 0.000 0.855 146 D CB 0.079 40.708 40.800 -0.285 0.000 0.951 146 D HN 0.359 nan 8.370 nan 0.000 0.500 147 H N -0.487 118.267 119.070 -0.527 0.000 2.465 147 H HA 0.156 4.711 4.556 -0.001 0.000 0.289 147 H C -0.097 175.065 175.328 -0.276 0.000 1.022 147 H CA 0.637 56.340 56.048 -0.575 0.000 1.340 147 H CB 0.413 29.578 29.762 -0.995 0.000 1.437 147 H HN -0.199 nan 8.280 nan 0.000 0.539 148 V N 2.528 122.338 119.914 -0.173 0.000 2.294 148 V HA 0.091 4.210 4.120 -0.001 0.000 0.272 148 V C -0.085 175.939 176.094 -0.116 0.000 1.027 148 V CA -0.769 61.456 62.300 -0.126 0.000 0.823 148 V CB 0.700 32.530 31.823 0.011 0.000 1.030 148 V HN 0.410 nan 8.190 nan 0.000 0.457 149 E N 3.876 123.994 120.200 -0.136 0.000 2.502 149 E HA 0.276 4.625 4.350 -0.001 0.000 0.261 149 E C 1.352 177.912 176.600 -0.067 0.000 0.974 149 E CA 1.178 57.517 56.400 -0.100 0.000 0.936 149 E CB 0.363 30.005 29.700 -0.095 0.000 0.926 149 E HN 0.977 nan 8.360 nan 0.000 0.459 150 G N 2.886 111.650 108.800 -0.060 0.000 2.199 150 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.254 150 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.254 150 G C 1.175 176.048 174.900 -0.045 0.000 0.982 150 G CA 0.530 45.602 45.100 -0.046 0.000 0.632 150 G HN 0.563 nan 8.290 nan 0.000 0.529 151 S N -0.004 115.665 115.700 -0.051 0.000 2.369 151 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 151 S C 2.381 176.947 174.600 -0.056 0.000 1.043 151 S CA 1.921 60.092 58.200 -0.049 0.000 1.074 151 S CB -0.255 62.913 63.200 -0.052 0.000 0.962 151 S HN 0.653 nan 8.310 nan 0.000 0.433 152 R N 0.396 120.859 120.500 -0.061 0.000 2.120 152 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 152 R C 2.339 178.605 176.300 -0.057 0.000 1.123 152 R CA 1.296 57.358 56.100 -0.064 0.000 0.975 152 R CB -0.199 30.063 30.300 -0.063 0.000 0.866 152 R HN 0.292 nan 8.270 nan 0.000 0.446 153 E N 0.990 121.160 120.200 -0.050 0.000 2.107 153 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 153 E C 1.708 178.283 176.600 -0.043 0.000 0.982 153 E CA 1.299 57.674 56.400 -0.043 0.000 0.809 153 E CB 0.087 29.765 29.700 -0.036 0.000 0.756 153 E HN 0.165 nan 8.360 nan 0.000 0.459 154 R N -0.225 120.248 120.500 -0.044 0.000 2.148 154 R HA 0.017 4.356 4.340 -0.001 0.000 0.227 154 R C 2.214 178.478 176.300 -0.060 0.000 1.103 154 R CA 0.998 57.071 56.100 -0.045 0.000 0.983 154 R CB -0.236 30.040 30.300 -0.041 0.000 0.874 154 R HN 0.188 nan 8.270 nan 0.000 0.451 155 A N 1.119 123.897 122.820 -0.070 0.000 1.898 155 A HA -0.101 4.218 4.320 -0.001 0.000 0.214 155 A C 2.057 179.594 177.584 -0.078 0.000 1.183 155 A CA 0.828 52.811 52.037 -0.090 0.000 0.622 155 A CB -0.206 18.736 19.000 -0.098 0.000 0.824 155 A HN 0.148 nan 8.150 nan 0.000 0.444 156 R N -0.518 119.944 120.500 -0.063 0.000 2.120 156 R HA -0.009 4.330 4.340 -0.001 0.000 0.234 156 R C 1.806 178.081 176.300 -0.042 0.000 1.123 156 R CA 1.253 57.322 56.100 -0.052 0.000 0.975 156 R CB -0.169 30.105 30.300 -0.043 0.000 0.866 156 R HN 0.402 nan 8.270 nan 0.000 0.446 157 R N -0.413 120.062 120.500 -0.042 0.000 2.320 157 R HA 0.092 4.432 4.340 -0.001 0.000 0.211 157 R C 0.557 176.837 176.300 -0.034 0.000 0.931 157 R CA 0.540 56.621 56.100 -0.032 0.000 1.071 157 R CB 0.614 30.898 30.300 -0.027 0.000 1.025 157 R HN 0.377 nan 8.270 nan 0.000 0.495 158 G N 1.320 110.091 108.800 -0.048 0.000 2.147 158 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.244 158 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.244 158 G C 0.428 175.285 174.900 -0.072 0.000 1.005 158 G CA 0.326 45.394 45.100 -0.055 0.000 0.713 158 G HN 0.461 nan 8.290 nan 0.000 0.515 159 E N -1.018 119.134 120.200 -0.080 0.000 2.460 159 E HA 0.350 4.699 4.350 -0.001 0.000 0.200 159 E C 0.756 177.281 176.600 -0.126 0.000 1.011 159 E CA 0.215 56.571 56.400 -0.073 0.000 0.912 159 E CB 0.413 30.087 29.700 -0.045 0.000 0.953 159 E HN 0.522 nan 8.360 nan 0.000 0.494 160 L N 1.683 122.795 121.223 -0.184 0.000 2.410 160 L HA 0.483 4.823 4.340 -0.001 0.000 0.270 160 L C -0.932 175.693 176.870 -0.408 0.000 0.983 160 L CA -0.619 54.057 54.840 -0.272 0.000 0.822 160 L CB 1.942 43.899 42.059 -0.169 0.000 1.285 160 L HN -0.089 nan 8.230 nan 0.000 0.409 161 L N 2.607 123.380 121.223 -0.750 0.000 2.346 161 L HA 0.533 4.872 4.340 -0.001 0.000 0.274 161 L C -0.784 175.544 176.870 -0.904 0.000 1.007 161 L CA -0.581 53.655 54.840 -1.007 0.000 0.818 161 L CB 2.352 43.292 42.059 -1.865 0.000 1.284 161 L HN 0.391 nan 8.230 nan 0.000 0.424 162 F N 1.216 120.824 119.950 -0.569 0.000 2.397 162 F HA 0.808 5.334 4.527 -0.001 0.000 0.331 162 F C 0.192 175.951 175.800 -0.069 0.000 1.090 162 F CA -0.300 57.531 58.000 -0.281 0.000 1.065 162 F CB 1.758 40.649 39.000 -0.182 0.000 1.184 162 F HN 0.371 nan 8.300 nan 0.000 0.499 163 G N 2.579 110.833 108.800 -0.911 0.000 2.732 163 G HA2 0.461 4.420 3.960 -0.001 0.000 0.296 163 G HA3 0.461 4.420 3.960 -0.001 0.000 0.296 163 G C -1.153 173.338 174.900 -0.681 0.000 1.448 163 G CA -0.454 44.214 45.100 -0.719 0.000 0.911 163 G HN 0.864 nan 8.290 nan 0.000 0.528 164 T N -0.990 113.279 114.554 -0.475 0.000 2.732 164 T HA 0.345 4.694 4.350 -0.001 0.000 0.287 164 T C 1.645 176.354 174.700 0.016 0.000 0.993 164 T CA -0.049 61.988 62.100 -0.105 0.000 0.966 164 T CB 1.228 70.106 68.868 0.018 0.000 1.047 164 T HN 0.403 nan 8.240 nan 0.000 0.527 165 V N 2.009 121.971 119.914 0.080 0.000 2.407 165 V HA -0.185 3.934 4.120 -0.001 0.000 0.248 165 V C 2.763 178.941 176.094 0.140 0.000 1.055 165 V CA 2.240 64.626 62.300 0.144 0.000 1.049 165 V CB -1.082 30.833 31.823 0.153 0.000 0.662 165 V HN 1.049 nan 8.190 nan 0.000 0.455 166 D N -0.238 120.204 120.400 0.070 0.000 2.133 166 D HA -0.219 4.420 4.640 -0.001 0.000 0.195 166 D C 1.879 178.199 176.300 0.035 0.000 0.997 166 D CA 2.130 56.145 54.000 0.025 0.000 0.840 166 D CB -0.716 40.062 40.800 -0.037 0.000 0.947 166 D HN 0.438 nan 8.370 nan 0.000 0.452 167 T N -0.274 114.322 114.554 0.070 0.000 2.857 167 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 167 T C 1.476 176.356 174.700 0.300 0.000 1.048 167 T CA 0.776 62.968 62.100 0.154 0.000 1.139 167 T CB -0.502 68.443 68.868 0.127 0.000 0.874 167 T HN 0.399 nan 8.240 nan 0.000 0.455 168 W N 1.883 123.176 121.300 -0.011 0.000 2.333 168 W HA -0.127 4.532 4.660 -0.001 0.000 0.316 168 W C 1.603 178.018 176.519 -0.173 0.000 1.215 168 W CA 0.843 58.011 57.345 -0.294 0.000 1.278 168 W CB -0.426 28.833 29.460 -0.336 0.000 1.154 168 W HN 0.207 nan 8.180 nan 0.000 0.486 169 L N 0.544 121.710 121.223 -0.094 0.000 1.994 169 L HA -0.273 4.066 4.340 -0.001 0.000 0.208 169 L C 2.572 179.338 176.870 -0.174 0.000 1.071 169 L CA 1.542 56.276 54.840 -0.175 0.000 0.745 169 L CB -0.961 41.119 42.059 0.036 0.000 0.892 169 L HN -0.036 nan 8.230 nan 0.000 0.431 170 I N -1.597 118.942 120.570 -0.051 0.000 2.286 170 I HA -0.320 3.849 4.170 -0.001 0.000 0.248 170 I C 2.354 178.448 176.117 -0.039 0.000 1.115 170 I CA 1.470 62.752 61.300 -0.030 0.000 1.392 170 I CB -0.304 37.685 38.000 -0.018 0.000 1.065 170 I HN 0.397 nan 8.210 nan 0.000 0.418 171 W N 2.054 123.249 121.300 -0.175 0.000 2.358 171 W HA -0.188 4.471 4.660 -0.001 0.000 0.303 171 W C 2.451 178.710 176.519 -0.433 0.000 1.208 171 W CA 1.360 58.606 57.345 -0.166 0.000 1.274 171 W CB 0.087 29.585 29.460 0.062 0.000 1.138 171 W HN -0.167 nan 8.180 nan 0.000 0.515 172 K N -0.234 119.775 120.400 -0.653 0.000 2.103 172 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 172 K C 1.970 178.011 176.600 -0.931 0.000 1.052 172 K CA 1.543 57.110 56.287 -1.200 0.000 0.945 172 K CB -0.801 30.350 32.500 -2.248 0.000 0.722 172 K HN 0.339 nan 8.250 nan 0.000 0.443 173 M N 0.582 119.846 119.600 -0.560 0.000 2.296 173 M HA -0.091 4.388 4.480 -0.001 0.000 0.265 173 M C 1.377 177.570 176.300 -0.178 0.000 1.064 173 M CA 1.563 56.756 55.300 -0.178 0.000 1.109 173 M CB -0.186 32.403 32.600 -0.019 0.000 1.396 173 M HN 0.088 nan 8.290 nan 0.000 0.430 174 T N -3.695 110.699 114.554 -0.268 0.000 3.215 174 T HA 0.236 4.585 4.350 -0.001 0.000 0.271 174 T C 0.278 174.774 174.700 -0.339 0.000 1.012 174 T CA -0.410 61.557 62.100 -0.221 0.000 0.899 174 T CB 0.020 68.795 68.868 -0.155 0.000 1.089 174 T HN 0.417 nan 8.240 nan 0.000 0.552 175 Q N 0.543 120.065 119.800 -0.463 0.000 2.435 175 Q HA -0.231 4.108 4.340 -0.001 0.000 0.286 175 Q C 1.154 176.726 176.000 -0.713 0.000 1.229 175 Q CA 0.832 56.314 55.803 -0.536 0.000 0.884 175 Q CB -2.085 26.468 28.738 -0.308 0.000 1.245 175 Q HN 1.126 nan 8.270 nan 0.000 0.488 176 G N -0.986 107.152 108.800 -1.104 0.000 2.157 176 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.239 176 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.239 176 G C 0.663 175.255 174.900 -0.514 0.000 0.982 176 G CA 0.345 44.566 45.100 -1.465 0.000 0.650 176 G HN 0.402 nan 8.290 nan 0.000 0.527 177 R N -0.708 119.591 120.500 -0.334 0.000 2.119 177 R HA 0.214 4.554 4.340 -0.001 0.000 0.222 177 R C 0.656 176.962 176.300 0.010 0.000 1.088 177 R CA 1.395 57.430 56.100 -0.108 0.000 0.984 177 R CB 0.233 30.477 30.300 -0.092 0.000 0.884 177 R HN 0.368 nan 8.270 nan 0.000 0.447 178 V N 1.287 121.217 119.914 0.027 0.000 2.409 178 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 178 V C -0.602 175.716 176.094 0.373 0.000 1.020 178 V CA -0.769 61.628 62.300 0.161 0.000 0.848 178 V CB 1.602 33.487 31.823 0.104 0.000 0.990 178 V HN 0.236 nan 8.190 nan 0.000 0.430 179 H N 4.040 123.269 119.070 0.264 0.000 2.786 179 H HA 0.756 5.311 4.556 -0.001 0.000 0.284 179 H C -1.712 173.710 175.328 0.156 0.000 1.104 179 H CA -0.227 55.993 56.048 0.286 0.000 1.339 179 H CB 1.774 31.695 29.762 0.265 0.000 1.427 179 H HN 0.516 nan 8.280 nan 0.000 0.497 180 V N 3.776 123.688 119.914 -0.004 0.000 3.178 180 V HA 0.437 4.556 4.120 -0.001 0.000 0.302 180 V C -1.011 174.984 176.094 -0.165 0.000 1.262 180 V CA -0.354 61.882 62.300 -0.106 0.000 1.030 180 V CB 2.755 34.528 31.823 -0.084 0.000 1.074 180 V HN 0.765 nan 8.190 nan 0.000 0.438 181 T N 2.105 116.541 114.554 -0.197 0.000 2.864 181 T HA 0.501 4.851 4.350 -0.001 0.000 0.299 181 T C -1.662 172.838 174.700 -0.334 0.000 1.166 181 T CA -0.353 61.611 62.100 -0.226 0.000 1.007 181 T CB 1.648 70.443 68.868 -0.121 0.000 1.219 181 T HN 1.022 nan 8.240 nan 0.000 0.506 182 D N 0.908 121.112 120.400 -0.326 0.000 2.437 182 D HA 0.199 4.838 4.640 -0.001 0.000 0.259 182 D C 0.698 176.729 176.300 -0.447 0.000 1.118 182 D CA -0.419 53.362 54.000 -0.366 0.000 1.017 182 D CB 0.493 41.171 40.800 -0.203 0.000 1.120 182 D HN 0.543 nan 8.370 nan 0.000 0.541 183 Y N -0.380 119.750 120.300 -0.284 0.000 2.224 183 Y HA -0.182 4.367 4.550 -0.001 0.000 0.289 183 Y C 2.882 178.589 175.900 -0.321 0.000 1.146 183 Y CA 1.980 59.843 58.100 -0.395 0.000 1.182 183 Y CB -1.036 37.292 38.460 -0.220 0.000 0.983 183 Y HN 0.596 nan 8.280 nan 0.000 0.524 184 T N -1.922 112.587 114.554 -0.074 0.000 2.684 184 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 184 T C 1.828 176.478 174.700 -0.083 0.000 1.036 184 T CA 1.666 63.725 62.100 -0.068 0.000 1.148 184 T CB -0.533 68.301 68.868 -0.057 0.000 0.863 184 T HN 0.281 nan 8.240 nan 0.000 0.436 185 N N 1.928 120.563 118.700 -0.109 0.000 2.142 185 N HA 0.050 4.789 4.740 -0.001 0.000 0.186 185 N C 2.331 177.801 175.510 -0.067 0.000 1.023 185 N CA 1.498 54.506 53.050 -0.070 0.000 0.852 185 N CB -0.601 37.846 38.487 -0.067 0.000 0.998 185 N HN 0.622 nan 8.380 nan 0.000 0.424 186 A N 0.992 123.673 122.820 -0.233 0.000 1.933 186 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 186 A C 2.338 179.818 177.584 -0.174 0.000 1.175 186 A CA 1.917 53.742 52.037 -0.353 0.000 0.628 186 A CB -0.713 17.536 19.000 -1.252 0.000 0.814 186 A HN 0.464 nan 8.150 nan 0.000 0.444 187 S N -0.622 114.996 115.700 -0.136 0.000 2.442 187 S HA -0.127 4.342 4.470 -0.001 0.000 0.236 187 S C 1.644 176.253 174.600 0.016 0.000 1.007 187 S CA 1.037 59.275 58.200 0.062 0.000 0.965 187 S CB -0.280 62.948 63.200 0.047 0.000 0.773 187 S HN 0.491 nan 8.310 nan 0.000 0.504 188 R N 1.351 121.864 120.500 0.021 0.000 2.300 188 R HA 0.153 4.492 4.340 -0.001 0.000 0.199 188 R C 2.193 178.570 176.300 0.129 0.000 0.920 188 R CA 1.156 57.277 56.100 0.035 0.000 1.046 188 R CB -1.408 28.942 30.300 0.083 0.000 0.984 188 R HN 0.808 nan 8.270 nan 0.000 0.493 189 T N -2.871 111.786 114.554 0.172 0.000 3.043 189 T HA 0.064 4.413 4.350 -0.001 0.000 0.263 189 T C 1.383 176.194 174.700 0.186 0.000 1.094 189 T CA 0.584 62.837 62.100 0.255 0.000 1.127 189 T CB 0.061 69.156 68.868 0.377 0.000 0.905 189 T HN 0.183 nan 8.240 nan 0.000 0.490 190 M N -0.846 118.815 119.600 0.102 0.000 2.931 190 M HA -0.183 4.297 4.480 -0.001 0.000 0.190 190 M C 0.123 176.501 176.300 0.131 0.000 0.626 190 M CA 0.861 56.197 55.300 0.060 0.000 0.722 190 M CB -1.396 31.250 32.600 0.076 0.000 2.597 190 M HN 0.389 nan 8.290 nan 0.000 0.299 191 L N -1.248 120.113 121.223 0.229 0.000 2.664 191 L HA 0.303 4.642 4.340 -0.001 0.000 0.233 191 L C 0.448 177.611 176.870 0.488 0.000 1.113 191 L CA -0.108 54.914 54.840 0.303 0.000 0.896 191 L CB 0.275 42.487 42.059 0.254 0.000 1.163 191 L HN 0.307 nan 8.230 nan 0.000 0.497 192 F N 1.191 121.270 119.950 0.215 0.000 2.436 192 F HA 0.376 4.902 4.527 -0.001 0.000 0.340 192 F C 0.344 176.128 175.800 -0.026 0.000 1.113 192 F CA -0.824 57.201 58.000 0.041 0.000 1.022 192 F CB 0.999 39.877 39.000 -0.203 0.000 1.128 192 F HN -0.161 nan 8.300 nan 0.000 0.466 193 N N 7.073 125.383 118.700 -0.650 0.000 2.406 193 N HA 0.088 4.827 4.740 -0.001 0.000 0.251 193 N C 1.002 176.108 175.510 -0.674 0.000 1.069 193 N CA -0.145 52.606 53.050 -0.499 0.000 0.947 193 N CB 0.747 39.042 38.487 -0.321 0.000 1.111 193 N HN 0.870 nan 8.380 nan 0.000 0.497 194 I N 1.125 121.459 120.570 -0.393 0.000 3.176 194 I HA -0.038 4.131 4.170 -0.001 0.000 0.275 194 I C 0.609 176.548 176.117 -0.296 0.000 1.298 194 I CA 0.683 61.829 61.300 -0.257 0.000 1.445 194 I CB -0.123 37.782 38.000 -0.157 0.000 1.075 194 I HN 0.396 nan 8.210 nan 0.000 0.482 195 H N 1.185 120.190 119.070 -0.107 0.000 2.460 195 H HA 0.105 4.660 4.556 -0.001 0.000 0.297 195 H C 2.321 177.585 175.328 -0.108 0.000 1.023 195 H CA 1.823 57.815 56.048 -0.093 0.000 1.321 195 H CB -0.052 29.625 29.762 -0.142 0.000 1.455 195 H HN 0.474 nan 8.280 nan 0.000 0.539 196 T N -0.528 113.989 114.554 -0.062 0.000 3.081 196 T HA 0.116 4.465 4.350 -0.001 0.000 0.255 196 T C 1.109 175.709 174.700 -0.166 0.000 1.113 196 T CA -0.011 62.033 62.100 -0.094 0.000 1.082 196 T CB -0.303 68.504 68.868 -0.101 0.000 0.939 196 T HN 0.280 nan 8.240 nan 0.000 0.506 197 L N 0.612 121.648 121.223 -0.312 0.000 3.843 197 L HA -0.166 4.173 4.340 -0.001 0.000 0.411 197 L C -0.231 176.452 176.870 -0.312 0.000 1.205 197 L CA 0.515 55.178 54.840 -0.294 0.000 0.945 197 L CB -2.024 40.005 42.059 -0.051 0.000 1.929 197 L HN 0.426 nan 8.230 nan 0.000 0.934 198 D N -1.722 118.297 120.400 -0.635 0.000 2.566 198 D HA 0.466 5.105 4.640 -0.001 0.000 0.254 198 D C -0.467 175.497 176.300 -0.559 0.000 1.090 198 D CA -0.467 53.287 54.000 -0.411 0.000 1.034 198 D CB 0.845 41.591 40.800 -0.089 0.000 1.434 198 D HN 0.048 nan 8.370 nan 0.000 0.509 199 W N 0.831 122.139 121.300 0.013 0.000 2.170 199 W HA 0.162 4.821 4.660 -0.001 0.000 0.342 199 W C 0.798 177.306 176.519 -0.017 0.000 1.294 199 W CA -0.171 57.221 57.345 0.079 0.000 1.246 199 W CB 0.361 29.902 29.460 0.134 0.000 1.156 199 W HN 0.078 nan 8.180 nan 0.000 0.572 200 D N 2.718 123.277 120.400 0.265 0.000 2.427 200 D HA 0.014 4.653 4.640 -0.001 0.000 0.226 200 D C 0.277 176.667 176.300 0.151 0.000 1.076 200 D CA -0.198 53.897 54.000 0.159 0.000 0.849 200 D CB 0.956 41.846 40.800 0.151 0.000 1.052 200 D HN 0.386 nan 8.370 nan 0.000 0.515 201 D N 2.786 123.254 120.400 0.113 0.000 2.178 201 D HA -0.177 4.463 4.640 -0.001 0.000 0.201 201 D C 1.718 178.036 176.300 0.031 0.000 0.980 201 D CA 0.899 54.938 54.000 0.064 0.000 0.842 201 D CB 0.258 41.086 40.800 0.047 0.000 0.948 201 D HN 0.510 nan 8.370 nan 0.000 0.472 202 K N -0.063 120.357 120.400 0.033 0.000 2.097 202 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 202 K C 1.899 178.471 176.600 -0.046 0.000 1.050 202 K CA 0.803 57.048 56.287 -0.069 0.000 0.938 202 K CB 0.074 32.414 32.500 -0.266 0.000 0.718 202 K HN -0.093 nan 8.250 nan 0.000 0.442 203 M N 1.000 120.630 119.600 0.051 0.000 2.132 203 M HA -0.089 4.390 4.480 -0.001 0.000 0.263 203 M C 2.123 178.432 176.300 0.016 0.000 1.065 203 M CA 1.361 56.699 55.300 0.063 0.000 1.122 203 M CB -0.783 31.896 32.600 0.133 0.000 1.365 203 M HN 0.211 nan 8.290 nan 0.000 0.411 204 L N -0.605 120.626 121.223 0.013 0.000 2.131 204 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 204 L C 2.245 179.090 176.870 -0.042 0.000 1.092 204 L CA 1.174 55.995 54.840 -0.032 0.000 0.759 204 L CB -0.472 41.566 42.059 -0.036 0.000 0.903 204 L HN 0.373 nan 8.230 nan 0.000 0.435 205 E N -0.601 119.579 120.200 -0.034 0.000 2.051 205 E HA -0.153 4.197 4.350 -0.001 0.000 0.189 205 E C 2.283 178.856 176.600 -0.044 0.000 0.979 205 E CA 0.903 57.277 56.400 -0.043 0.000 0.803 205 E CB -0.029 29.642 29.700 -0.047 0.000 0.761 205 E HN 0.169 nan 8.360 nan 0.000 0.451 206 V N 1.333 121.220 119.914 -0.045 0.000 2.380 206 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 206 V C 2.037 178.119 176.094 -0.020 0.000 1.063 206 V CA 1.640 63.918 62.300 -0.036 0.000 1.055 206 V CB -0.288 31.516 31.823 -0.033 0.000 0.657 206 V HN 0.277 nan 8.190 nan 0.000 0.455 207 L N -1.043 120.166 121.223 -0.023 0.000 2.590 207 L HA 0.253 4.592 4.340 -0.001 0.000 0.227 207 L C 0.778 177.622 176.870 -0.043 0.000 1.099 207 L CA 0.283 55.109 54.840 -0.023 0.000 0.872 207 L CB 0.043 42.087 42.059 -0.026 0.000 1.088 207 L HN 0.319 nan 8.230 nan 0.000 0.479 208 D N 1.457 121.827 120.400 -0.050 0.000 2.718 208 D HA -0.197 4.442 4.640 -0.001 0.000 0.242 208 D C -0.440 175.814 176.300 -0.077 0.000 1.123 208 D CA 0.549 54.514 54.000 -0.058 0.000 0.690 208 D CB -1.019 39.751 40.800 -0.051 0.000 1.059 208 D HN 0.206 nan 8.370 nan 0.000 0.429 209 I N 1.063 121.575 120.570 -0.096 0.000 2.328 209 I HA 0.305 4.474 4.170 -0.001 0.000 0.287 209 I C -1.880 174.154 176.117 -0.139 0.000 1.012 209 I CA -1.934 59.284 61.300 -0.136 0.000 1.195 209 I CB 1.551 39.435 38.000 -0.194 0.000 1.350 209 I HN -0.128 nan 8.210 nan 0.000 0.464 210 P HA 0.058 nan 4.420 nan 0.000 0.263 210 P C 0.569 177.775 177.300 -0.156 0.000 1.195 210 P CA -0.096 62.933 63.100 -0.119 0.000 0.762 210 P CB 0.586 32.225 31.700 -0.101 0.000 0.799 211 R N 2.958 123.376 120.500 -0.138 0.000 2.152 211 R HA -0.179 4.160 4.340 -0.001 0.000 0.232 211 R C 0.998 177.203 176.300 -0.158 0.000 1.117 211 R CA 1.499 57.495 56.100 -0.173 0.000 0.981 211 R CB 0.025 30.267 30.300 -0.097 0.000 0.870 211 R HN 0.411 nan 8.270 nan 0.000 0.451 212 E N 0.551 120.688 120.200 -0.106 0.000 2.209 212 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 212 E C 1.799 178.342 176.600 -0.095 0.000 0.993 212 E CA 1.761 58.114 56.400 -0.078 0.000 0.819 212 E CB -0.207 29.455 29.700 -0.063 0.000 0.745 212 E HN 0.550 nan 8.360 nan 0.000 0.477 213 M N -0.686 118.831 119.600 -0.138 0.000 2.619 213 M HA 0.121 4.600 4.480 -0.001 0.000 0.251 213 M C 0.053 176.327 176.300 -0.044 0.000 1.106 213 M CA 0.637 55.857 55.300 -0.134 0.000 1.086 213 M CB -0.123 32.385 32.600 -0.154 0.000 1.465 213 M HN -0.129 nan 8.290 nan 0.000 0.506 214 L N 2.701 123.836 121.223 -0.148 0.000 2.357 214 L HA 0.503 4.842 4.340 -0.001 0.000 0.273 214 L C -2.088 174.716 176.870 -0.111 0.000 1.080 214 L CA -2.226 52.458 54.840 -0.261 0.000 0.803 214 L CB 0.456 41.950 42.059 -0.942 0.000 1.174 214 L HN -0.044 nan 8.230 nan 0.000 0.443 215 P HA 0.211 nan 4.420 nan 0.000 0.282 215 P C -1.094 176.312 177.300 0.177 0.000 1.287 215 P CA -0.635 62.261 63.100 -0.340 0.000 0.792 215 P CB 0.841 32.185 31.700 -0.594 0.000 1.163 216 E N -0.359 119.894 120.200 0.088 0.000 2.313 216 E HA 0.334 4.683 4.350 -0.001 0.000 0.272 216 E C -0.443 176.162 176.600 0.008 0.000 1.038 216 E CA -0.669 55.812 56.400 0.136 0.000 0.863 216 E CB 0.868 30.624 29.700 0.094 0.000 1.060 216 E HN 0.122 nan 8.360 nan 0.000 0.402 217 V N 3.906 123.763 119.914 -0.094 0.000 2.483 217 V HA 0.481 4.600 4.120 -0.001 0.000 0.295 217 V C 0.310 176.121 176.094 -0.471 0.000 1.035 217 V CA -0.757 61.306 62.300 -0.394 0.000 0.896 217 V CB 1.400 32.844 31.823 -0.631 0.000 0.986 217 V HN 0.472 nan 8.190 nan 0.000 0.447 218 R N 2.508 122.645 120.500 -0.606 0.000 2.905 218 R HA 0.581 4.921 4.340 -0.001 0.000 0.260 218 R C -0.409 175.538 176.300 -0.590 0.000 1.086 218 R CA -1.061 54.775 56.100 -0.440 0.000 0.978 218 R CB 1.820 32.122 30.300 0.004 0.000 1.215 218 R HN 0.833 nan 8.270 nan 0.000 0.480 219 R N -0.402 120.042 120.500 -0.093 0.000 2.801 219 R HA 0.221 4.560 4.340 -0.001 0.000 0.273 219 R C 0.386 176.744 176.300 0.096 0.000 1.080 219 R CA -0.337 55.841 56.100 0.131 0.000 1.197 219 R CB 0.065 30.475 30.300 0.182 0.000 1.109 219 R HN 0.418 nan 8.270 nan 0.000 0.535 220 S N -0.523 115.219 115.700 0.070 0.000 2.562 220 S HA -0.046 4.423 4.470 -0.001 0.000 0.221 220 S C 0.498 175.137 174.600 0.065 0.000 0.975 220 S CA 0.414 58.642 58.200 0.046 0.000 0.918 220 S CB 0.210 63.362 63.200 -0.079 0.000 0.772 220 S HN 0.610 nan 8.310 nan 0.000 0.531 221 S N 1.297 117.007 115.700 0.017 0.000 2.664 221 S HA 0.518 4.987 4.470 -0.001 0.000 0.262 221 S C -1.063 173.472 174.600 -0.108 0.000 1.229 221 S CA -0.545 57.640 58.200 -0.025 0.000 1.151 221 S CB 0.575 63.773 63.200 -0.003 0.000 1.054 221 S HN 0.376 nan 8.310 nan 0.000 0.483 222 E N 2.956 122.961 120.200 -0.326 0.000 2.400 222 E HA 0.305 4.654 4.350 -0.001 0.000 0.285 222 E C -1.547 174.610 176.600 -0.739 0.000 1.005 222 E CA -0.690 55.453 56.400 -0.427 0.000 0.816 222 E CB 1.548 31.011 29.700 -0.395 0.000 1.220 222 E HN 0.397 nan 8.360 nan 0.000 0.426 223 V N 5.024 124.689 119.914 -0.415 0.000 2.439 223 V HA 0.037 4.156 4.120 -0.001 0.000 0.271 223 V C 0.071 175.963 176.094 -0.336 0.000 1.040 223 V CA 0.619 62.719 62.300 -0.333 0.000 1.002 223 V CB 0.016 31.760 31.823 -0.131 0.000 1.000 223 V HN 0.680 nan 8.190 nan 0.000 0.477 224 Y N 3.389 123.692 120.300 0.006 0.000 2.509 224 Y HA 0.515 5.064 4.550 -0.001 0.000 0.270 224 Y C 1.442 177.347 175.900 0.008 0.000 1.103 224 Y CA 0.611 58.714 58.100 0.005 0.000 1.278 224 Y CB 0.572 39.034 38.460 0.003 0.000 1.087 224 Y HN 0.784 nan 8.280 nan 0.000 0.542 225 G N -0.212 108.670 108.800 0.136 0.000 2.323 225 G HA2 0.449 4.409 3.960 -0.001 0.000 0.291 225 G HA3 0.449 4.409 3.960 -0.001 0.000 0.291 225 G C -1.973 172.959 174.900 0.054 0.000 1.278 225 G CA -0.968 44.181 45.100 0.081 0.000 0.860 225 G HN 0.047 nan 8.290 nan 0.000 0.504 226 Q N -1.767 118.050 119.800 0.028 0.000 2.511 226 Q HA 0.756 5.095 4.340 -0.001 0.000 0.289 226 Q C -1.433 174.567 176.000 -0.001 0.000 1.021 226 Q CA -1.031 54.782 55.803 0.016 0.000 0.785 226 Q CB 2.355 31.097 28.738 0.007 0.000 1.472 226 Q HN 0.647 nan 8.270 nan 0.000 0.411 227 T N 0.799 115.354 114.554 0.001 0.000 2.928 227 T HA 0.356 4.705 4.350 -0.001 0.000 0.296 227 T C -1.276 173.422 174.700 -0.004 0.000 1.000 227 T CA -0.701 61.396 62.100 -0.005 0.000 0.989 227 T CB 0.641 69.515 68.868 0.010 0.000 1.005 227 T HN 0.555 nan 8.240 nan 0.000 0.442 228 N N 4.300 122.993 118.700 -0.011 0.000 2.406 228 N HA 0.253 4.992 4.740 -0.001 0.000 0.274 228 N C 0.187 175.698 175.510 0.002 0.000 1.249 228 N CA -0.079 52.966 53.050 -0.008 0.000 0.951 228 N CB -0.229 38.248 38.487 -0.016 0.000 1.241 228 N HN 0.712 nan 8.380 nan 0.000 0.485 237 I N 3.980 124.551 120.570 0.002 0.000 2.359 237 I HA 0.334 4.503 4.170 -0.001 0.000 0.294 237 I C -2.019 174.103 176.117 0.009 0.000 0.987 237 I CA -2.333 58.969 61.300 0.004 0.000 1.225 237 I CB 1.705 39.707 38.000 0.003 0.000 1.366 237 I HN 0.184 nan 8.210 nan 0.000 0.466 238 P HA 0.173 nan 4.420 nan 0.000 0.267 238 P C -0.668 176.651 177.300 0.032 0.000 1.205 238 P CA 0.128 63.236 63.100 0.014 0.000 0.765 238 P CB 0.309 32.009 31.700 -0.001 0.000 0.828 239 I N 2.401 123.012 120.570 0.068 0.000 2.297 239 I HA 0.169 4.338 4.170 -0.001 0.000 0.291 239 I C 0.916 177.147 176.117 0.189 0.000 1.033 239 I CA 0.161 61.544 61.300 0.139 0.000 1.253 239 I CB 0.719 38.822 38.000 0.171 0.000 1.396 239 I HN 0.355 nan 8.210 nan 0.000 0.476 240 S N 2.827 118.608 115.700 0.136 0.000 2.893 240 S HA 0.377 4.847 4.470 -0.001 0.000 0.258 240 S C 0.204 174.827 174.600 0.040 0.000 1.034 240 S CA -0.367 57.802 58.200 -0.052 0.000 1.167 240 S CB 0.727 63.889 63.200 -0.063 0.000 1.137 240 S HN 0.683 nan 8.310 nan 0.000 0.650 241 G N 1.070 110.032 108.800 0.270 0.000 2.701 241 G HA2 0.718 4.677 3.960 -0.001 0.000 0.300 241 G HA3 0.718 4.677 3.960 -0.001 0.000 0.300 241 G C -1.426 173.627 174.900 0.253 0.000 1.410 241 G CA -0.735 44.519 45.100 0.256 0.000 1.014 241 G HN 0.340 nan 8.290 nan 0.000 0.509 242 I N 0.920 121.594 120.570 0.174 0.000 2.607 242 I HA 0.713 4.882 4.170 -0.001 0.000 0.290 242 I C -0.112 175.985 176.117 -0.032 0.000 1.129 242 I CA -0.857 60.440 61.300 -0.004 0.000 1.042 242 I CB 2.367 40.259 38.000 -0.180 0.000 1.242 242 I HN 0.736 nan 8.210 nan 0.000 0.421 243 A N 3.674 126.468 122.820 -0.044 0.000 2.574 243 A HA 0.806 5.126 4.320 -0.001 0.000 0.297 243 A C -0.268 177.290 177.584 -0.044 0.000 1.062 243 A CA -0.526 51.475 52.037 -0.059 0.000 0.686 243 A CB 1.370 20.325 19.000 -0.075 0.000 1.285 243 A HN 0.833 nan 8.150 nan 0.000 0.403 244 G N 0.659 109.431 108.800 -0.047 0.000 2.484 244 G HA2 0.313 4.272 3.960 -0.001 0.000 0.235 244 G HA3 0.313 4.272 3.960 -0.001 0.000 0.235 244 G C 0.553 175.424 174.900 -0.048 0.000 1.282 244 G CA 0.618 45.691 45.100 -0.044 0.000 0.857 244 G HN 0.965 nan 8.290 nan 0.000 0.571 245 D N 0.983 121.345 120.400 -0.064 0.000 2.149 245 D HA -0.224 4.415 4.640 -0.001 0.000 0.194 245 D C 1.838 178.092 176.300 -0.077 0.000 1.001 245 D CA 1.612 55.570 54.000 -0.070 0.000 0.849 245 D CB -0.129 40.618 40.800 -0.088 0.000 0.939 245 D HN 0.389 nan 8.370 nan 0.000 0.449 246 Q N -0.220 119.510 119.800 -0.117 0.000 2.172 246 Q HA -0.033 4.306 4.340 -0.001 0.000 0.200 246 Q C 2.278 178.276 176.000 -0.002 0.000 0.964 246 Q CA 1.029 56.784 55.803 -0.079 0.000 0.855 246 Q CB -0.290 28.384 28.738 -0.107 0.000 0.918 246 Q HN 0.485 nan 8.270 nan 0.000 0.444 247 Q N 0.439 120.237 119.800 -0.002 0.000 2.172 247 Q HA 0.015 4.354 4.340 -0.001 0.000 0.200 247 Q C 1.986 178.020 176.000 0.056 0.000 0.964 247 Q CA 1.435 57.254 55.803 0.026 0.000 0.855 247 Q CB -0.280 28.455 28.738 -0.005 0.000 0.918 247 Q HN 0.398 nan 8.270 nan 0.000 0.444 248 A N 0.642 123.480 122.820 0.030 0.000 1.902 248 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 248 A C 2.243 179.882 177.584 0.092 0.000 1.181 248 A CA 1.596 53.670 52.037 0.062 0.000 0.623 248 A CB -0.930 18.082 19.000 0.020 0.000 0.818 248 A HN 0.383 nan 8.150 nan 0.000 0.443 249 A N -0.545 122.307 122.820 0.053 0.000 1.902 249 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 249 A C 2.099 179.731 177.584 0.080 0.000 1.181 249 A CA 1.669 53.737 52.037 0.051 0.000 0.623 249 A CB -0.653 18.370 19.000 0.038 0.000 0.818 249 A HN 0.599 nan 8.150 nan 0.000 0.443 250 L N -1.925 119.356 121.223 0.097 0.000 2.127 250 L HA -0.130 4.210 4.340 -0.001 0.000 0.211 250 L C 2.119 179.084 176.870 0.159 0.000 1.089 250 L CA 1.917 56.824 54.840 0.112 0.000 0.757 250 L CB -0.538 41.587 42.059 0.109 0.000 0.899 250 L HN 0.444 nan 8.230 nan 0.000 0.434 251 F N -0.471 119.500 119.950 0.034 0.000 2.270 251 F HA 0.135 4.661 4.527 -0.001 0.000 0.295 251 F C 2.220 178.080 175.800 0.100 0.000 1.087 251 F CA 1.066 59.104 58.000 0.064 0.000 1.365 251 F CB -0.711 38.328 39.000 0.066 0.000 1.056 251 F HN 0.072 nan 8.300 nan 0.000 0.506 252 G N -0.631 108.246 108.800 0.129 0.000 2.448 252 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.219 252 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.219 252 G C 1.436 176.349 174.900 0.021 0.000 1.127 252 G CA 0.406 45.501 45.100 -0.008 0.000 0.766 252 G HN 0.313 nan 8.290 nan 0.000 0.552 253 Q N -0.508 119.306 119.800 0.025 0.000 2.425 253 Q HA 0.258 4.597 4.340 -0.001 0.000 0.204 253 Q C 1.051 177.043 176.000 -0.014 0.000 0.933 253 Q CA -0.064 55.750 55.803 0.019 0.000 0.939 253 Q CB 0.302 29.061 28.738 0.035 0.000 1.044 253 Q HN 0.569 nan 8.270 nan 0.000 0.513 254 L N -0.620 120.561 121.223 -0.070 0.000 4.192 254 L HA -0.204 4.136 4.340 -0.001 0.000 0.403 254 L C -0.564 176.250 176.870 -0.093 0.000 1.163 254 L CA -0.324 54.424 54.840 -0.154 0.000 0.937 254 L CB -2.395 39.588 42.059 -0.126 0.000 2.134 254 L HN 0.199 nan 8.230 nan 0.000 0.754 255 C N 1.164 120.445 119.300 -0.032 0.000 2.484 255 C HA 0.365 4.824 4.460 -0.001 0.000 0.494 255 C C 1.800 176.817 174.990 0.046 0.000 1.052 255 C CA 0.202 59.230 59.018 0.018 0.000 1.307 255 C CB -0.655 27.112 27.740 0.044 0.000 1.464 255 C HN 0.447 nan 8.230 nan 0.000 0.564 256 V N -1.280 118.646 119.914 0.021 0.000 3.380 256 V HA 0.353 4.473 4.120 -0.001 0.000 0.307 256 V C 0.257 176.381 176.094 0.049 0.000 1.434 256 V CA 0.016 62.352 62.300 0.059 0.000 1.075 256 V CB -0.630 31.209 31.823 0.026 0.000 0.954 256 V HN 0.552 nan 8.190 nan 0.000 0.444 257 K N 1.317 121.737 120.400 0.034 0.000 2.328 257 K HA 0.496 4.815 4.320 -0.001 0.000 0.246 257 K C -0.357 176.266 176.600 0.037 0.000 0.955 257 K CA -0.578 55.728 56.287 0.031 0.000 0.817 257 K CB 2.477 34.987 32.500 0.016 0.000 1.208 257 K HN 0.364 nan 8.250 nan 0.000 0.432 258 E N 0.634 120.855 120.200 0.036 0.000 2.480 258 E HA 0.026 4.375 4.350 -0.001 0.000 0.258 258 E C 0.417 177.036 176.600 0.032 0.000 0.984 258 E CA 1.048 57.471 56.400 0.038 0.000 0.930 258 E CB 0.087 29.808 29.700 0.034 0.000 0.936 258 E HN 0.762 nan 8.360 nan 0.000 0.466 259 G N 3.980 112.802 108.800 0.037 0.000 2.218 259 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 259 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 259 G C 0.228 175.153 174.900 0.042 0.000 0.994 259 G CA 0.074 45.195 45.100 0.035 0.000 0.637 259 G HN 0.532 nan 8.290 nan 0.000 0.505 260 M N 1.559 121.185 119.600 0.043 0.000 2.162 260 M HA 0.597 5.076 4.480 -0.001 0.000 0.356 260 M C 0.349 176.676 176.300 0.044 0.000 1.303 260 M CA 0.367 55.693 55.300 0.044 0.000 1.116 260 M CB 1.428 34.051 32.600 0.038 0.000 1.632 260 M HN 0.524 nan 8.290 nan 0.000 0.469 261 A N 3.754 126.598 122.820 0.041 0.000 2.413 261 A HA 0.891 5.210 4.320 -0.001 0.000 0.307 261 A C -1.025 176.581 177.584 0.036 0.000 1.087 261 A CA -0.835 51.224 52.037 0.037 0.000 0.750 261 A CB 1.500 20.515 19.000 0.026 0.000 1.296 261 A HN 0.799 nan 8.150 nan 0.000 0.423 262 K N 0.533 120.955 120.400 0.038 0.000 2.482 262 K HA 0.712 5.031 4.320 -0.001 0.000 0.257 262 K C -1.163 175.450 176.600 0.021 0.000 0.969 262 K CA -0.687 55.624 56.287 0.041 0.000 0.842 262 K CB 1.508 34.040 32.500 0.053 0.000 1.359 262 K HN 0.396 nan 8.250 nan 0.000 0.441 263 N N 0.200 118.910 118.700 0.016 0.000 2.346 263 N HA 0.390 5.129 4.740 -0.001 0.000 0.289 263 N C -1.585 173.890 175.510 -0.058 0.000 1.027 263 N CA -0.406 52.587 53.050 -0.094 0.000 0.864 263 N CB 2.172 40.523 38.487 -0.227 0.000 1.370 263 N HN 0.681 nan 8.380 nan 0.000 0.481 264 T N 3.536 118.053 114.554 -0.062 0.000 2.749 264 T HA 0.327 4.676 4.350 -0.001 0.000 0.287 264 T C -0.779 173.910 174.700 -0.019 0.000 0.970 264 T CA -0.047 62.085 62.100 0.053 0.000 0.980 264 T CB -0.027 68.906 68.868 0.109 0.000 0.924 264 T HN 0.244 nan 8.240 nan 0.000 0.456 265 Y N 2.103 122.465 120.300 0.102 0.000 2.341 265 Y HA 0.610 5.159 4.550 -0.001 0.000 0.340 265 Y C 0.926 176.902 175.900 0.127 0.000 0.997 265 Y CA -0.040 58.117 58.100 0.095 0.000 1.149 265 Y CB 1.418 39.911 38.460 0.054 0.000 1.171 265 Y HN 0.866 nan 8.280 nan 0.000 0.494 266 G N 0.133 109.090 108.800 0.261 0.000 3.003 266 G HA2 0.210 4.169 3.960 -0.001 0.000 0.243 266 G HA3 0.210 4.169 3.960 -0.001 0.000 0.243 266 G C 0.704 175.749 174.900 0.243 0.000 1.176 266 G CA -0.057 45.193 45.100 0.250 0.000 0.812 266 G HN 0.440 nan 8.290 nan 0.000 0.584 267 T N -1.509 113.202 114.554 0.262 0.000 2.720 267 T HA 0.220 4.570 4.350 -0.001 0.000 0.268 267 T C 1.340 176.189 174.700 0.248 0.000 1.037 267 T CA 1.623 63.874 62.100 0.251 0.000 1.144 267 T CB -0.557 68.469 68.868 0.265 0.000 0.864 267 T HN 1.039 nan 8.240 nan 0.000 0.444 268 G N -0.765 108.215 108.800 0.300 0.000 2.552 268 G HA2 0.531 4.490 3.960 -0.001 0.000 0.324 268 G HA3 0.531 4.490 3.960 -0.001 0.000 0.324 268 G C -1.056 173.860 174.900 0.027 0.000 1.217 268 G CA -0.801 44.377 45.100 0.131 0.000 0.989 268 G HN 0.538 nan 8.290 nan 0.000 0.490 269 C N -0.704 118.440 119.300 -0.260 0.000 2.411 269 C HA 0.753 5.212 4.460 -0.001 0.000 0.330 269 C C -1.158 173.519 174.990 -0.522 0.000 1.224 269 C CA -0.497 58.344 59.018 -0.295 0.000 1.770 269 C CB 0.287 27.778 27.740 -0.416 0.000 2.297 269 C HN 0.495 nan 8.230 nan 0.000 0.507 270 F N 3.654 123.509 119.950 -0.160 0.000 2.539 270 F HA 0.579 5.105 4.527 -0.001 0.000 0.328 270 F C 0.165 175.900 175.800 -0.108 0.000 1.148 270 F CA -0.621 57.317 58.000 -0.104 0.000 0.940 270 F CB 1.062 40.031 39.000 -0.051 0.000 1.194 270 F HN 0.471 nan 8.300 nan 0.000 0.438 271 M N 3.864 123.480 119.600 0.026 0.000 2.393 271 M HA 0.896 5.375 4.480 -0.001 0.000 0.316 271 M C -2.150 174.176 176.300 0.042 0.000 1.087 271 M CA -0.823 54.478 55.300 0.001 0.000 0.937 271 M CB 2.483 35.038 32.600 -0.074 0.000 1.668 271 M HN 0.465 nan 8.290 nan 0.000 0.438 272 L N 3.536 124.789 121.223 0.049 0.000 2.409 272 L HA 0.705 5.044 4.340 -0.001 0.000 0.262 272 L C -0.870 176.030 176.870 0.051 0.000 0.992 272 L CA -0.394 54.482 54.840 0.061 0.000 0.817 272 L CB 2.468 44.573 42.059 0.077 0.000 1.350 272 L HN 0.949 nan 8.230 nan 0.000 0.411 273 M N 2.818 122.449 119.600 0.053 0.000 2.259 273 M HA 0.419 4.899 4.480 -0.001 0.000 0.304 273 M C -0.851 175.487 176.300 0.063 0.000 1.019 273 M CA -0.515 54.816 55.300 0.051 0.000 0.922 273 M CB 1.560 34.184 32.600 0.041 0.000 1.600 273 M HN 0.710 nan 8.290 nan 0.000 0.433 274 N N 2.513 121.251 118.700 0.065 0.000 2.454 274 N HA 0.025 4.764 4.740 -0.001 0.000 0.260 274 N C -0.037 175.516 175.510 0.072 0.000 1.218 274 N CA 0.843 53.937 53.050 0.073 0.000 0.904 274 N CB 0.936 39.466 38.487 0.070 0.000 1.065 274 N HN 0.796 nan 8.380 nan 0.000 0.462 275 T N 0.672 115.281 114.554 0.092 0.000 3.228 275 T HA 0.386 4.735 4.350 -0.001 0.000 0.278 275 T C 1.003 175.762 174.700 0.099 0.000 1.014 275 T CA 0.115 62.267 62.100 0.087 0.000 0.904 275 T CB -0.199 68.722 68.868 0.089 0.000 1.110 275 T HN 0.728 nan 8.240 nan 0.000 0.541 276 G N 2.732 111.588 108.800 0.093 0.000 2.547 276 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.271 276 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.271 276 G C 0.289 175.272 174.900 0.139 0.000 1.209 276 G CA 0.208 45.362 45.100 0.090 0.000 0.959 276 G HN 0.505 nan 8.290 nan 0.000 0.563 277 E N 0.574 120.856 120.200 0.135 0.000 2.463 277 E HA 0.186 4.535 4.350 -0.001 0.000 0.193 277 E C 0.802 177.567 176.600 0.274 0.000 1.041 277 E CA 0.020 56.537 56.400 0.194 0.000 0.879 277 E CB 0.493 30.255 29.700 0.103 0.000 0.997 277 E HN 0.332 nan 8.360 nan 0.000 0.478 278 K N 1.472 121.983 120.400 0.184 0.000 2.221 278 K HA 0.524 4.843 4.320 -0.001 0.000 0.258 278 K C -1.061 175.489 176.600 -0.083 0.000 0.944 278 K CA -0.514 55.788 56.287 0.026 0.000 0.823 278 K CB 1.711 34.210 32.500 -0.001 0.000 1.113 278 K HN -0.029 nan 8.250 nan 0.000 0.431 279 A N 3.187 125.762 122.820 -0.409 0.000 2.301 279 A HA 0.442 4.761 4.320 -0.001 0.000 0.298 279 A C -0.644 176.841 177.584 -0.165 0.000 1.185 279 A CA -0.599 51.165 52.037 -0.455 0.000 0.830 279 A CB 0.779 19.349 19.000 -0.716 0.000 1.112 279 A HN 0.409 nan 8.150 nan 0.000 0.508 280 V N 3.081 122.951 119.914 -0.074 0.000 2.398 280 V HA 0.290 4.409 4.120 -0.001 0.000 0.286 280 V C 0.349 176.429 176.094 -0.025 0.000 1.026 280 V CA -0.716 61.562 62.300 -0.036 0.000 0.868 280 V CB 1.390 33.210 31.823 -0.006 0.000 0.982 280 V HN 0.961 nan 8.190 nan 0.000 0.443 281 K N 2.728 123.111 120.400 -0.028 0.000 2.322 281 K HA 0.293 4.612 4.320 -0.001 0.000 0.283 281 K C 0.222 176.820 176.600 -0.003 0.000 1.042 281 K CA 0.100 56.376 56.287 -0.019 0.000 0.958 281 K CB 0.840 33.321 32.500 -0.031 0.000 0.984 281 K HN 0.711 nan 8.250 nan 0.000 0.473 282 S N 3.264 118.968 115.700 0.007 0.000 2.465 282 S HA 0.097 4.567 4.470 -0.001 0.000 0.279 282 S C 0.196 174.809 174.600 0.023 0.000 1.201 282 S CA -0.580 57.634 58.200 0.024 0.000 1.053 282 S CB 0.581 63.810 63.200 0.047 0.000 0.953 282 S HN 0.652 nan 8.310 nan 0.000 0.488 283 E N 3.438 123.652 120.200 0.025 0.000 2.481 283 E HA 0.160 4.509 4.350 -0.001 0.000 0.198 283 E C 0.075 176.700 176.600 0.042 0.000 1.027 283 E CA 0.094 56.510 56.400 0.027 0.000 0.900 283 E CB 0.169 29.881 29.700 0.019 0.000 0.993 283 E HN 0.593 nan 8.360 nan 0.000 0.482 284 N N -0.076 118.653 118.700 0.049 0.000 2.241 284 N HA 0.114 4.853 4.740 -0.001 0.000 0.238 284 N C 0.569 176.119 175.510 0.067 0.000 1.244 284 N CA 0.522 53.602 53.050 0.050 0.000 0.880 284 N CB 1.976 40.483 38.487 0.033 0.000 1.179 284 N HN 0.180 nan 8.380 nan 0.000 0.513 285 G N 1.116 109.985 108.800 0.116 0.000 2.134 285 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.209 285 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.209 285 G C -0.044 175.060 174.900 0.340 0.000 0.993 285 G CA -0.105 45.133 45.100 0.230 0.000 0.669 285 G HN 0.173 nan 8.290 nan 0.000 0.519 286 L N -0.794 120.558 121.223 0.216 0.000 2.491 286 L HA 0.811 5.150 4.340 -0.001 0.000 0.264 286 L C 0.841 177.836 176.870 0.209 0.000 1.053 286 L CA -1.361 53.622 54.840 0.238 0.000 0.858 286 L CB 0.912 43.047 42.059 0.127 0.000 1.519 286 L HN 0.015 nan 8.230 nan 0.000 0.508 287 L N -0.448 120.894 121.223 0.198 0.000 2.334 287 L HA 0.497 4.836 4.340 -0.001 0.000 0.273 287 L C -0.591 176.324 176.870 0.075 0.000 1.013 287 L CA -0.495 54.418 54.840 0.122 0.000 0.816 287 L CB 1.873 44.037 42.059 0.175 0.000 1.278 287 L HN 0.490 nan 8.230 nan 0.000 0.431 288 T N 0.473 115.041 114.554 0.024 0.000 2.767 288 T HA 0.487 4.836 4.350 -0.001 0.000 0.284 288 T C -0.128 174.588 174.700 0.027 0.000 0.973 288 T CA -0.324 61.793 62.100 0.029 0.000 0.996 288 T CB 1.677 70.544 68.868 -0.002 0.000 0.927 288 T HN 0.638 nan 8.240 nan 0.000 0.456 289 T N 2.116 116.717 114.554 0.079 0.000 2.838 289 T HA 0.671 5.021 4.350 -0.001 0.000 0.292 289 T C -0.833 173.932 174.700 0.108 0.000 1.113 289 T CA -0.732 61.410 62.100 0.070 0.000 1.008 289 T CB 0.829 69.724 68.868 0.046 0.000 1.259 289 T HN 0.457 nan 8.240 nan 0.000 0.520 290 I N 2.232 122.816 120.570 0.023 0.000 2.440 290 I HA 0.625 4.795 4.170 -0.001 0.000 0.294 290 I C 0.532 176.601 176.117 -0.080 0.000 0.995 290 I CA -0.481 60.751 61.300 -0.114 0.000 1.306 290 I CB 1.334 39.256 38.000 -0.130 0.000 1.407 290 I HN 0.754 nan 8.210 nan 0.000 0.501 291 A N 5.141 127.888 122.820 -0.122 0.000 2.539 291 A HA 0.789 5.108 4.320 -0.001 0.000 0.272 291 A C -1.432 176.103 177.584 -0.081 0.000 1.286 291 A CA -0.437 51.568 52.037 -0.054 0.000 0.792 291 A CB 1.355 20.361 19.000 0.011 0.000 1.355 291 A HN 0.707 nan 8.150 nan 0.000 0.472 292 C N 0.001 119.289 119.300 -0.020 0.000 2.369 292 C HA 0.742 5.201 4.460 -0.001 0.000 0.322 292 C C 1.022 176.082 174.990 0.117 0.000 1.258 292 C CA -0.387 58.601 59.018 -0.051 0.000 1.487 292 C CB 0.439 27.978 27.740 -0.335 0.000 2.165 292 C HN 1.105 nan 8.230 nan 0.000 0.483 293 G N 2.807 111.659 108.800 0.085 0.000 2.543 293 G HA2 0.445 4.404 3.960 -0.001 0.000 0.290 293 G HA3 0.445 4.404 3.960 -0.001 0.000 0.290 293 G C -1.598 173.458 174.900 0.260 0.000 1.310 293 G CA -0.709 44.474 45.100 0.138 0.000 1.025 293 G HN 0.449 nan 8.290 nan 0.000 0.502 294 P HA -0.075 nan 4.420 nan 0.000 0.218 294 P C 1.523 178.942 177.300 0.198 0.000 1.146 294 P CA 2.069 65.262 63.100 0.154 0.000 0.813 294 P CB 0.142 31.878 31.700 0.060 0.000 0.778 295 T N -6.607 108.049 114.554 0.171 0.000 3.132 295 T HA 0.509 4.858 4.350 -0.001 0.000 0.274 295 T C 1.160 175.933 174.700 0.122 0.000 1.011 295 T CA 0.198 62.385 62.100 0.144 0.000 0.899 295 T CB -0.360 68.559 68.868 0.084 0.000 1.089 295 T HN 0.210 nan 8.240 nan 0.000 0.543 296 G N 2.062 110.928 108.800 0.111 0.000 2.141 296 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.231 296 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.231 296 G C -0.177 174.715 174.900 -0.014 0.000 0.984 296 G CA 0.028 45.111 45.100 -0.028 0.000 0.660 296 G HN 0.941 nan 8.290 nan 0.000 0.525 297 E N 0.651 120.858 120.200 0.012 0.000 2.314 297 E HA 0.540 4.889 4.350 -0.001 0.000 0.262 297 E C 0.330 176.893 176.600 -0.062 0.000 1.093 297 E CA -0.730 55.666 56.400 -0.008 0.000 0.908 297 E CB 1.515 31.215 29.700 0.000 0.000 1.091 297 E HN 0.328 nan 8.360 nan 0.000 0.425 298 V N 2.417 122.253 119.914 -0.131 0.000 2.540 298 V HA 0.034 4.153 4.120 -0.001 0.000 0.297 298 V C 0.497 176.440 176.094 -0.251 0.000 1.024 298 V CA 0.438 62.575 62.300 -0.270 0.000 1.105 298 V CB -0.766 30.793 31.823 -0.440 0.000 0.938 298 V HN 0.622 nan 8.190 nan 0.000 0.482 299 N N 2.446 120.966 118.700 -0.301 0.000 3.038 299 N HA 0.647 5.386 4.740 -0.001 0.000 0.307 299 N C -1.652 173.557 175.510 -0.502 0.000 1.441 299 N CA -0.767 52.137 53.050 -0.243 0.000 0.772 299 N CB 2.118 40.575 38.487 -0.049 0.000 1.651 299 N HN 0.491 nan 8.380 nan 0.000 0.593 300 Y N -0.107 120.191 120.300 -0.003 0.000 2.633 300 Y HA 0.767 5.316 4.550 -0.001 0.000 0.339 300 Y C -0.231 175.676 175.900 0.013 0.000 1.045 300 Y CA -0.635 57.461 58.100 -0.006 0.000 1.098 300 Y CB 1.960 40.412 38.460 -0.014 0.000 1.296 300 Y HN 0.545 nan 8.280 nan 0.000 0.494 301 A N 0.753 123.688 122.820 0.191 0.000 2.610 301 A HA 0.803 5.123 4.320 -0.001 0.000 0.291 301 A C -2.194 175.454 177.584 0.105 0.000 1.086 301 A CA -0.727 51.381 52.037 0.118 0.000 0.677 301 A CB 1.243 20.295 19.000 0.087 0.000 1.278 301 A HN 0.650 nan 8.150 nan 0.000 0.414 302 L N 0.776 122.049 121.223 0.083 0.000 2.334 302 L HA 0.750 5.089 4.340 -0.001 0.000 0.276 302 L C 0.030 176.948 176.870 0.080 0.000 1.014 302 L CA -0.301 54.584 54.840 0.075 0.000 0.815 302 L CB 1.920 44.014 42.059 0.058 0.000 1.268 302 L HN 0.918 nan 8.230 nan 0.000 0.428 303 E N 1.198 121.457 120.200 0.099 0.000 2.383 303 E HA 0.742 5.092 4.350 -0.001 0.000 0.275 303 E C -1.371 175.306 176.600 0.128 0.000 0.918 303 E CA -0.764 55.705 56.400 0.115 0.000 0.764 303 E CB 2.619 32.412 29.700 0.155 0.000 1.252 303 E HN 0.660 nan 8.360 nan 0.000 0.449 304 G N 0.857 109.701 108.800 0.072 0.000 2.753 304 G HA2 0.662 4.621 3.960 -0.001 0.000 0.297 304 G HA3 0.662 4.621 3.960 -0.001 0.000 0.297 304 G C -1.662 173.146 174.900 -0.154 0.000 1.430 304 G CA -0.217 44.880 45.100 -0.005 0.000 1.040 304 G HN 0.533 nan 8.290 nan 0.000 0.530 305 A N 0.993 123.602 122.820 -0.352 0.000 2.355 305 A HA 0.794 5.113 4.320 -0.001 0.000 0.317 305 A C -0.644 176.374 177.584 -0.944 0.000 1.094 305 A CA -0.620 50.978 52.037 -0.732 0.000 0.764 305 A CB 1.928 20.404 19.000 -0.873 0.000 1.230 305 A HN 1.188 nan 8.150 nan 0.000 0.448 306 V N 3.314 122.765 119.914 -0.770 0.000 2.350 306 V HA 0.236 4.355 4.120 -0.001 0.000 0.276 306 V C 0.336 176.156 176.094 -0.456 0.000 1.028 306 V CA -0.089 61.867 62.300 -0.573 0.000 0.860 306 V CB 0.408 32.047 31.823 -0.307 0.000 0.990 306 V HN 0.881 nan 8.190 nan 0.000 0.453 307 F N 2.771 122.586 119.950 -0.224 0.000 2.259 307 F HA 0.178 4.704 4.527 -0.001 0.000 0.298 307 F C 1.275 177.056 175.800 -0.031 0.000 1.088 307 F CA 0.682 58.612 58.000 -0.118 0.000 1.358 307 F CB 0.041 38.991 39.000 -0.084 0.000 1.040 307 F HN 0.283 nan 8.300 nan 0.000 0.505 308 M N -0.085 119.578 119.600 0.105 0.000 2.065 308 M HA 0.456 4.935 4.480 -0.001 0.000 0.332 308 M C 0.296 176.616 176.300 0.033 0.000 0.988 308 M CA -0.318 55.020 55.300 0.064 0.000 0.944 308 M CB 0.399 32.954 32.600 -0.075 0.000 1.357 308 M HN 0.112 nan 8.290 nan 0.000 0.388 309 A N 2.251 125.125 122.820 0.090 0.000 2.039 309 A HA 0.632 4.952 4.320 -0.001 0.000 0.205 309 A C 1.586 179.265 177.584 0.157 0.000 2.297 309 A CA 0.656 52.754 52.037 0.100 0.000 1.472 309 A CB -1.022 18.026 19.000 0.079 0.000 1.030 309 A HN 0.656 nan 8.150 nan 0.000 0.511 310 G N -0.020 108.891 108.800 0.185 0.000 2.448 310 G HA2 0.078 4.037 3.960 -0.001 0.000 0.219 310 G HA3 0.078 4.037 3.960 -0.001 0.000 0.219 310 G C 1.498 176.523 174.900 0.208 0.000 1.127 310 G CA 1.605 46.822 45.100 0.196 0.000 0.766 310 G HN 1.000 nan 8.290 nan 0.000 0.552 311 A N 1.109 124.058 122.820 0.214 0.000 2.070 311 A HA -0.007 4.313 4.320 -0.001 0.000 0.220 311 A C 2.670 180.454 177.584 0.333 0.000 1.159 311 A CA 2.347 54.531 52.037 0.245 0.000 0.656 311 A CB -0.471 18.670 19.000 0.235 0.000 0.800 311 A HN 0.718 nan 8.150 nan 0.000 0.453 312 S N -0.660 115.226 115.700 0.311 0.000 2.425 312 S HA -0.004 4.465 4.470 -0.001 0.000 0.225 312 S C 1.707 176.585 174.600 0.463 0.000 1.024 312 S CA 0.870 59.322 58.200 0.420 0.000 0.951 312 S CB -0.319 63.003 63.200 0.202 0.000 0.796 312 S HN 0.296 nan 8.310 nan 0.000 0.498 313 I N 2.219 122.977 120.570 0.314 0.000 2.439 313 I HA -0.051 4.118 4.170 -0.001 0.000 0.251 313 I C 2.769 179.025 176.117 0.233 0.000 1.139 313 I CA 1.096 62.550 61.300 0.257 0.000 1.438 313 I CB -1.627 36.491 38.000 0.195 0.000 1.085 313 I HN 0.502 nan 8.210 nan 0.000 0.427 314 Q N -0.247 119.699 119.800 0.243 0.000 2.181 314 Q HA -0.264 4.075 4.340 -0.001 0.000 0.205 314 Q C 2.277 178.404 176.000 0.213 0.000 0.980 314 Q CA 1.851 57.772 55.803 0.197 0.000 0.862 314 Q CB -0.193 28.660 28.738 0.192 0.000 0.905 314 Q HN 0.569 nan 8.270 nan 0.000 0.429 315 W N 0.609 121.960 121.300 0.084 0.000 2.407 315 W HA -0.104 4.555 4.660 -0.001 0.000 0.305 315 W C 1.491 178.020 176.519 0.016 0.000 1.196 315 W CA 1.126 58.487 57.345 0.026 0.000 1.311 315 W CB -0.448 29.049 29.460 0.061 0.000 1.135 315 W HN 0.080 nan 8.180 nan 0.000 0.514 316 L N 0.556 121.764 121.223 -0.025 0.000 2.043 316 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 316 L C 2.806 179.541 176.870 -0.224 0.000 1.075 316 L CA 2.062 56.745 54.840 -0.261 0.000 0.752 316 L CB -0.984 41.063 42.059 -0.020 0.000 0.891 316 L HN 0.060 nan 8.230 nan 0.000 0.432 317 R N 0.060 120.512 120.500 -0.079 0.000 2.056 317 R HA -0.146 4.193 4.340 -0.001 0.000 0.227 317 R C 1.849 178.096 176.300 -0.088 0.000 1.149 317 R CA 1.934 58.003 56.100 -0.051 0.000 0.937 317 R CB -0.048 30.266 30.300 0.023 0.000 0.835 317 R HN 0.253 nan 8.270 nan 0.000 0.430 318 D N -0.523 119.835 120.400 -0.071 0.000 2.249 318 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 318 D C 1.334 177.563 176.300 -0.119 0.000 0.962 318 D CA 1.001 54.963 54.000 -0.063 0.000 0.860 318 D CB 0.282 41.078 40.800 -0.008 0.000 0.955 318 D HN 0.236 nan 8.370 nan 0.000 0.505 319 E N -1.082 118.979 120.200 -0.232 0.000 2.306 319 E HA 0.179 4.528 4.350 -0.001 0.000 0.201 319 E C 1.606 177.980 176.600 -0.376 0.000 0.874 319 E CA 0.251 56.484 56.400 -0.278 0.000 0.972 319 E CB 0.271 29.799 29.700 -0.286 0.000 0.957 319 E HN -0.044 nan 8.360 nan 0.000 0.492 320 M N 0.551 119.805 119.600 -0.578 0.000 2.510 320 M HA 0.117 4.596 4.480 -0.001 0.000 0.256 320 M C -0.071 176.029 176.300 -0.335 0.000 1.132 320 M CA 0.604 55.581 55.300 -0.539 0.000 1.105 320 M CB 0.021 32.133 32.600 -0.813 0.000 1.375 320 M HN -0.068 nan 8.290 nan 0.000 0.477 321 K N 0.205 120.440 120.400 -0.276 0.000 3.088 321 K HA -0.185 4.135 4.320 -0.001 0.000 0.273 321 K C 0.734 177.221 176.600 -0.188 0.000 1.111 321 K CA 0.572 56.749 56.287 -0.184 0.000 0.803 321 K CB -2.651 29.762 32.500 -0.145 0.000 1.226 321 K HN 0.400 nan 8.250 nan 0.000 0.485 322 L N -0.032 121.046 121.223 -0.241 0.000 2.509 322 L HA 0.221 4.560 4.340 -0.001 0.000 0.222 322 L C 1.412 178.076 176.870 -0.343 0.000 1.123 322 L CA 0.375 55.032 54.840 -0.305 0.000 0.856 322 L CB -0.020 41.842 42.059 -0.330 0.000 0.985 322 L HN 0.322 nan 8.230 nan 0.000 0.456 323 I N -3.428 117.050 120.570 -0.154 0.000 3.191 323 I HA 0.560 4.729 4.170 -0.001 0.000 0.313 323 I C -1.232 174.941 176.117 0.093 0.000 1.193 323 I CA -0.916 60.404 61.300 0.033 0.000 0.968 323 I CB 2.267 40.344 38.000 0.129 0.000 1.262 323 I HN -0.044 nan 8.210 nan 0.000 0.456 324 N N -0.232 118.589 118.700 0.202 0.000 3.506 324 N HA 0.373 5.112 4.740 -0.001 0.000 0.331 324 N C -0.421 175.172 175.510 0.137 0.000 1.631 324 N CA -0.546 52.589 53.050 0.143 0.000 0.786 324 N CB 0.292 38.864 38.487 0.140 0.000 2.023 324 N HN 0.538 nan 8.380 nan 0.000 0.621 325 D N -0.632 119.821 120.400 0.087 0.000 2.162 325 D HA 0.073 4.712 4.640 -0.001 0.000 0.203 325 D C 1.385 177.671 176.300 -0.023 0.000 0.967 325 D CA 1.659 55.682 54.000 0.038 0.000 0.840 325 D CB -0.396 40.418 40.800 0.024 0.000 0.972 325 D HN 0.616 nan 8.370 nan 0.000 0.482 326 A N -0.552 122.240 122.820 -0.047 0.000 2.132 326 A HA 0.009 4.328 4.320 -0.001 0.000 0.213 326 A C 0.002 177.185 177.584 -0.669 0.000 1.154 326 A CA 0.280 52.137 52.037 -0.299 0.000 0.753 326 A CB -0.101 18.742 19.000 -0.262 0.000 0.826 326 A HN 0.156 nan 8.150 nan 0.000 0.469 327 Y N 1.223 121.478 120.300 -0.076 0.000 2.705 327 Y HA 0.318 4.867 4.550 -0.001 0.000 0.355 327 Y C -0.329 175.713 175.900 0.236 0.000 1.039 327 Y CA -2.020 56.022 58.100 -0.097 0.000 1.233 327 Y CB 0.629 39.111 38.460 0.036 0.000 1.103 327 Y HN 0.365 nan 8.280 nan 0.000 0.624 328 D N -1.159 119.353 120.400 0.186 0.000 2.506 328 D HA 0.136 4.775 4.640 -0.001 0.000 0.272 328 D C 1.238 177.747 176.300 0.349 0.000 1.214 328 D CA -0.311 53.831 54.000 0.238 0.000 1.067 328 D CB 0.874 41.738 40.800 0.107 0.000 1.117 328 D HN 0.267 nan 8.370 nan 0.000 0.578 329 S N -1.340 114.512 115.700 0.253 0.000 2.428 329 S HA -0.178 4.291 4.470 -0.001 0.000 0.230 329 S C 1.622 176.328 174.600 0.177 0.000 1.014 329 S CA 1.115 59.460 58.200 0.242 0.000 0.957 329 S CB -0.513 62.792 63.200 0.175 0.000 0.784 329 S HN 0.656 nan 8.310 nan 0.000 0.499 330 E N 0.229 120.515 120.200 0.143 0.000 2.046 330 E HA -0.180 4.169 4.350 -0.001 0.000 0.190 330 E C 1.910 178.513 176.600 0.005 0.000 0.982 330 E CA 0.989 57.434 56.400 0.075 0.000 0.800 330 E CB -0.426 29.338 29.700 0.106 0.000 0.756 330 E HN 0.629 nan 8.360 nan 0.000 0.449 331 Y N 0.548 120.798 120.300 -0.084 0.000 2.040 331 Y HA -0.310 4.239 4.550 -0.001 0.000 0.275 331 Y C 1.791 177.544 175.900 -0.246 0.000 1.171 331 Y CA 2.312 60.286 58.100 -0.209 0.000 1.123 331 Y CB -0.781 37.483 38.460 -0.325 0.000 0.963 331 Y HN 0.087 nan 8.280 nan 0.000 0.493 332 F N -0.124 119.726 119.950 -0.166 0.000 2.171 332 F HA -0.137 4.389 4.527 -0.001 0.000 0.300 332 F C 2.604 178.216 175.800 -0.314 0.000 1.090 332 F CA 1.146 58.973 58.000 -0.290 0.000 1.293 332 F CB -0.855 38.083 39.000 -0.103 0.000 1.013 332 F HN 0.186 nan 8.300 nan 0.000 0.486 333 A N -0.243 122.495 122.820 -0.137 0.000 1.969 333 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 333 A C 2.093 179.388 177.584 -0.480 0.000 1.169 333 A CA 1.884 53.711 52.037 -0.349 0.000 0.635 333 A CB -1.296 17.364 19.000 -0.567 0.000 0.810 333 A HN 0.387 nan 8.150 nan 0.000 0.445 334 T N -2.954 111.351 114.554 -0.414 0.000 3.129 334 T HA 0.162 4.511 4.350 -0.001 0.000 0.251 334 T C 1.285 175.831 174.700 -0.258 0.000 1.117 334 T CA 0.599 62.499 62.100 -0.335 0.000 1.034 334 T CB -0.094 68.640 68.868 -0.222 0.000 0.968 334 T HN 0.467 nan 8.240 nan 0.000 0.526 335 K N 1.126 121.353 120.400 -0.288 0.000 2.365 335 K HA 0.142 4.461 4.320 -0.001 0.000 0.199 335 K C 0.861 177.354 176.600 -0.178 0.000 1.045 335 K CA 0.456 56.599 56.287 -0.240 0.000 0.962 335 K CB 0.016 32.364 32.500 -0.255 0.000 0.759 335 K HN 0.533 nan 8.250 nan 0.000 0.469 336 V N -2.427 117.380 119.914 -0.178 0.000 3.001 336 V HA 0.265 4.385 4.120 -0.001 0.000 0.314 336 V C 0.291 176.348 176.094 -0.062 0.000 1.099 336 V CA -0.993 61.240 62.300 -0.111 0.000 0.989 336 V CB 2.055 33.790 31.823 -0.147 0.000 1.040 336 V HN -0.199 nan 8.190 nan 0.000 0.434 337 Q N 1.626 121.429 119.800 0.006 0.000 2.424 337 Q HA 0.225 4.564 4.340 -0.001 0.000 0.204 337 Q C 0.121 176.158 176.000 0.063 0.000 0.933 337 Q CA 0.916 56.737 55.803 0.031 0.000 0.929 337 Q CB -0.079 28.687 28.738 0.045 0.000 1.037 337 Q HN 1.075 nan 8.270 nan 0.000 0.511 338 N N -2.541 116.204 118.700 0.075 0.000 3.364 338 N HA 0.120 4.860 4.740 -0.001 0.000 0.294 338 N C -0.096 175.486 175.510 0.121 0.000 1.562 338 N CA -0.096 53.004 53.050 0.084 0.000 0.862 338 N CB 0.082 38.617 38.487 0.080 0.000 1.691 338 N HN -0.169 nan 8.380 nan 0.000 0.572 339 T N -4.187 110.397 114.554 0.050 0.000 3.134 339 T HA 0.242 4.591 4.350 -0.001 0.000 0.260 339 T C 0.380 174.981 174.700 -0.164 0.000 1.027 339 T CA 0.076 62.196 62.100 0.033 0.000 0.913 339 T CB -0.836 68.006 68.868 -0.043 0.000 1.046 339 T HN 0.699 nan 8.240 nan 0.000 0.553 340 N N 1.185 119.774 118.700 -0.186 0.000 2.725 340 N HA -0.194 4.545 4.740 -0.001 0.000 0.249 340 N C 1.081 176.473 175.510 -0.197 0.000 1.103 340 N CA 1.481 54.354 53.050 -0.295 0.000 0.707 340 N CB -1.553 36.466 38.487 -0.780 0.000 1.043 340 N HN 1.170 nan 8.380 nan 0.000 0.553 341 G N -3.230 105.489 108.800 -0.134 0.000 2.175 341 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.244 341 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.244 341 G C 0.038 174.858 174.900 -0.134 0.000 0.982 341 G CA 0.159 45.203 45.100 -0.093 0.000 0.641 341 G HN 0.705 nan 8.290 nan 0.000 0.527 342 V N 0.864 120.678 119.914 -0.168 0.000 2.583 342 V HA 0.606 4.725 4.120 -0.001 0.000 0.287 342 V C 0.138 176.113 176.094 -0.198 0.000 1.051 342 V CA -0.174 62.078 62.300 -0.079 0.000 1.010 342 V CB 0.758 32.573 31.823 -0.012 0.000 0.988 342 V HN 0.255 nan 8.190 nan 0.000 0.478 343 Y N 2.248 122.659 120.300 0.185 0.000 2.499 343 Y HA 0.692 5.241 4.550 -0.001 0.000 0.347 343 Y C -0.177 175.878 175.900 0.258 0.000 0.987 343 Y CA -0.994 57.257 58.100 0.252 0.000 1.044 343 Y CB 2.273 40.857 38.460 0.207 0.000 1.245 343 Y HN 0.301 nan 8.280 nan 0.000 0.461 344 V N 3.358 123.548 119.914 0.459 0.000 2.443 344 V HA 0.364 4.483 4.120 -0.001 0.000 0.293 344 V C -0.934 175.362 176.094 0.336 0.000 1.021 344 V CA -0.881 61.602 62.300 0.304 0.000 0.848 344 V CB 1.633 33.606 31.823 0.250 0.000 0.998 344 V HN 0.549 nan 8.190 nan 0.000 0.424 345 V N 7.753 127.749 119.914 0.136 0.000 2.259 345 V HA 0.308 4.428 4.120 -0.001 0.000 0.267 345 V C -1.909 174.076 176.094 -0.182 0.000 1.051 345 V CA -1.363 60.944 62.300 0.011 0.000 0.830 345 V CB 1.478 33.211 31.823 -0.149 0.000 1.080 345 V HN 0.758 nan 8.190 nan 0.000 0.467 346 P HA 0.215 nan 4.420 nan 0.000 0.212 346 P C 0.517 177.229 177.300 -0.980 0.000 1.816 346 P CA -0.131 62.411 63.100 -0.929 0.000 0.944 346 P CB 0.496 31.743 31.700 -0.756 0.000 1.896 347 A N 0.251 122.752 122.820 -0.531 0.000 2.478 347 A HA 0.075 4.394 4.320 -0.001 0.000 0.239 347 A C 0.909 178.409 177.584 -0.141 0.000 1.480 347 A CA -0.192 51.687 52.037 -0.264 0.000 1.308 347 A CB -1.503 17.409 19.000 -0.147 0.000 0.899 347 A HN 0.100 nan 8.150 nan 0.000 0.600 348 F N 0.278 120.158 119.950 -0.117 0.000 2.269 348 F HA -0.092 4.435 4.527 -0.001 0.000 0.301 348 F C 2.317 178.066 175.800 -0.085 0.000 1.082 348 F CA 1.774 59.684 58.000 -0.150 0.000 1.360 348 F CB -0.748 38.132 39.000 -0.201 0.000 1.041 348 F HN 0.452 nan 8.300 nan 0.000 0.512 349 T N -2.579 112.040 114.554 0.108 0.000 3.228 349 T HA 0.621 4.970 4.350 -0.001 0.000 0.278 349 T C 0.694 175.417 174.700 0.039 0.000 1.014 349 T CA 0.072 62.203 62.100 0.051 0.000 0.904 349 T CB -0.109 68.764 68.868 0.009 0.000 1.110 349 T HN 0.499 nan 8.240 nan 0.000 0.541 350 G N 1.326 110.152 108.800 0.043 0.000 2.582 350 G HA2 0.012 3.971 3.960 -0.001 0.000 0.222 350 G HA3 0.012 3.971 3.960 -0.001 0.000 0.222 350 G C -1.283 173.641 174.900 0.039 0.000 1.311 350 G CA -0.756 44.370 45.100 0.043 0.000 0.915 350 G HN 0.592 nan 8.290 nan 0.000 0.528 351 L N 0.909 122.160 121.223 0.047 0.000 2.365 351 L HA 0.697 5.036 4.340 -0.001 0.000 0.273 351 L C 1.373 178.216 176.870 -0.045 0.000 1.000 351 L CA -0.234 54.620 54.840 0.024 0.000 0.819 351 L CB 1.814 43.901 42.059 0.048 0.000 1.284 351 L HN 1.122 nan 8.230 nan 0.000 0.418 352 G N 1.187 109.827 108.800 -0.267 0.000 2.624 352 G HA2 0.532 4.491 3.960 -0.001 0.000 0.217 352 G HA3 0.532 4.491 3.960 -0.001 0.000 0.217 352 G C -0.121 174.087 174.900 -1.153 0.000 1.506 352 G CA -0.078 44.497 45.100 -0.875 0.000 1.072 352 G HN 0.734 nan 8.290 nan 0.000 0.568 353 A N 0.545 122.505 122.820 -1.433 0.000 2.462 353 A HA 0.485 4.804 4.320 -0.001 0.000 0.243 353 A C -1.299 175.916 177.584 -0.616 0.000 1.076 353 A CA -0.613 50.857 52.037 -0.945 0.000 0.773 353 A CB 0.414 19.180 19.000 -0.390 0.000 1.010 353 A HN 0.419 nan 8.150 nan 0.000 0.493 354 P HA 0.145 nan 4.420 nan 0.000 0.269 354 P C -0.305 176.780 177.300 -0.359 0.000 1.478 354 P CA 0.414 63.253 63.100 -0.434 0.000 1.045 354 P CB 0.112 31.589 31.700 -0.372 0.000 1.512 355 Y N -1.790 118.433 120.300 -0.128 0.000 2.396 355 Y HA 0.169 4.718 4.550 -0.001 0.000 0.292 355 Y C 0.714 176.718 175.900 0.172 0.000 1.128 355 Y CA 0.030 58.144 58.100 0.023 0.000 1.194 355 Y CB -0.911 37.529 38.460 -0.034 0.000 1.124 355 Y HN -0.131 nan 8.280 nan 0.000 0.543 356 W N 1.533 122.969 121.300 0.227 0.000 5.563 356 W HA -0.229 4.430 4.660 -0.001 0.000 0.396 356 W C -0.566 176.054 176.519 0.169 0.000 1.519 356 W CA 0.431 57.887 57.345 0.185 0.000 0.953 356 W CB -1.439 28.122 29.460 0.169 0.000 2.691 356 W HN 0.057 nan 8.180 nan 0.000 1.444 357 D N 0.150 120.711 120.400 0.268 0.000 2.467 357 D HA 0.270 4.909 4.640 -0.001 0.000 0.220 357 D C -1.159 175.204 176.300 0.104 0.000 1.103 357 D CA -2.323 51.799 54.000 0.203 0.000 0.886 357 D CB 1.128 42.024 40.800 0.160 0.000 1.025 357 D HN -0.121 nan 8.370 nan 0.000 0.514 358 P HA -0.060 nan 4.420 nan 0.000 0.225 358 P C 0.347 177.489 177.300 -0.263 0.000 1.148 358 P CA 0.898 63.869 63.100 -0.215 0.000 0.779 358 P CB -0.008 31.412 31.700 -0.466 0.000 0.780 359 Y N -1.286 119.101 120.300 0.146 0.000 2.458 359 Y HA 0.396 4.946 4.550 -0.001 0.000 0.256 359 Y C 1.350 177.341 175.900 0.151 0.000 1.159 359 Y CA -0.744 57.443 58.100 0.145 0.000 1.261 359 Y CB -0.194 38.358 38.460 0.154 0.000 1.119 359 Y HN -0.166 nan 8.280 nan 0.000 0.524 360 A N 1.344 124.290 122.820 0.210 0.000 2.407 360 A HA 0.536 4.855 4.320 -0.001 0.000 0.248 360 A C 0.202 177.862 177.584 0.126 0.000 1.082 360 A CA -0.241 51.882 52.037 0.143 0.000 0.785 360 A CB 0.381 19.396 19.000 0.024 0.000 1.020 360 A HN 0.176 nan 8.150 nan 0.000 0.489 361 R N 0.518 121.067 120.500 0.082 0.000 2.837 361 R HA 0.514 4.853 4.340 -0.001 0.000 0.271 361 R C 0.401 176.612 176.300 -0.147 0.000 0.993 361 R CA -0.181 55.909 56.100 -0.017 0.000 0.931 361 R CB 1.567 31.847 30.300 -0.033 0.000 1.206 361 R HN 0.951 nan 8.270 nan 0.000 0.474 362 G N 0.074 108.804 108.800 -0.116 0.000 2.554 362 G HA2 0.429 4.388 3.960 -0.001 0.000 0.238 362 G HA3 0.429 4.388 3.960 -0.001 0.000 0.238 362 G C -0.748 173.990 174.900 -0.270 0.000 1.259 362 G CA 0.315 45.305 45.100 -0.184 0.000 0.843 362 G HN 0.630 nan 8.290 nan 0.000 0.582 363 A N 0.581 123.236 122.820 -0.274 0.000 2.608 363 A HA 0.685 5.005 4.320 -0.001 0.000 0.292 363 A C -0.968 176.368 177.584 -0.414 0.000 1.066 363 A CA -0.647 51.125 52.037 -0.441 0.000 0.676 363 A CB 1.105 19.741 19.000 -0.608 0.000 1.277 363 A HN 0.707 nan 8.150 nan 0.000 0.413 364 I N 0.749 120.982 120.570 -0.561 0.000 2.509 364 I HA 0.633 4.802 4.170 -0.001 0.000 0.293 364 I C -1.262 174.504 176.117 -0.585 0.000 1.020 364 I CA -0.356 60.748 61.300 -0.326 0.000 1.088 364 I CB 1.801 39.736 38.000 -0.107 0.000 1.267 364 I HN 0.596 nan 8.210 nan 0.000 0.430 365 F N 1.617 121.584 119.950 0.029 0.000 2.611 365 F HA 0.666 5.193 4.527 -0.001 0.000 0.324 365 F C 1.001 176.834 175.800 0.055 0.000 1.061 365 F CA -0.600 57.415 58.000 0.026 0.000 0.954 365 F CB 1.944 40.949 39.000 0.009 0.000 1.301 365 F HN 0.621 nan 8.300 nan 0.000 0.482 366 G N 0.985 109.933 108.800 0.247 0.000 2.141 366 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.242 366 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.242 366 G C -0.362 174.575 174.900 0.063 0.000 0.982 366 G CA -0.509 44.678 45.100 0.144 0.000 0.662 366 G HN 0.524 nan 8.290 nan 0.000 0.527 367 L N 0.725 121.978 121.223 0.050 0.000 2.416 367 L HA 0.595 4.934 4.340 -0.001 0.000 0.272 367 L C 0.867 177.743 176.870 0.011 0.000 1.161 367 L CA 0.316 55.167 54.840 0.018 0.000 0.845 367 L CB 1.180 43.244 42.059 0.008 0.000 1.119 367 L HN 0.184 nan 8.230 nan 0.000 0.464 368 T N 1.174 115.726 114.554 -0.004 0.000 2.883 368 T HA 0.324 4.673 4.350 -0.001 0.000 0.296 368 T C 0.905 175.605 174.700 -0.000 0.000 1.117 368 T CA -0.660 61.438 62.100 -0.004 0.000 1.006 368 T CB 1.735 70.591 68.868 -0.019 0.000 1.191 368 T HN 0.570 nan 8.240 nan 0.000 0.508 369 R N 0.748 121.251 120.500 0.004 0.000 2.189 369 R HA 0.014 4.353 4.340 -0.001 0.000 0.223 369 R C 2.078 178.389 176.300 0.018 0.000 1.092 369 R CA 1.083 57.189 56.100 0.010 0.000 0.989 369 R CB -0.291 30.015 30.300 0.009 0.000 0.876 369 R HN 0.668 nan 8.270 nan 0.000 0.457 370 G N 0.528 109.335 108.800 0.011 0.000 2.744 370 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.211 370 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.211 370 G C 0.448 175.381 174.900 0.055 0.000 1.143 370 G CA -0.107 45.009 45.100 0.026 0.000 0.788 370 G HN 0.005 nan 8.290 nan 0.000 0.534 371 V N 2.128 122.060 119.914 0.029 0.000 2.455 371 V HA 0.255 4.374 4.120 -0.001 0.000 0.273 371 V C 0.072 176.294 176.094 0.213 0.000 1.045 371 V CA -0.748 61.599 62.300 0.079 0.000 0.976 371 V CB 0.636 32.452 31.823 -0.010 0.000 0.993 371 V HN 0.588 nan 8.190 nan 0.000 0.475 372 N N 4.545 123.515 118.700 0.450 0.000 2.592 372 N HA 0.604 5.343 4.740 -0.001 0.000 0.292 372 N C 0.815 176.342 175.510 0.027 0.000 1.260 372 N CA -0.222 52.895 53.050 0.112 0.000 0.910 372 N CB 1.311 39.783 38.487 -0.025 0.000 1.257 372 N HN 0.407 nan 8.380 nan 0.000 0.569 373 A N -0.284 122.499 122.820 -0.062 0.000 2.019 373 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 373 A C 1.516 179.025 177.584 -0.125 0.000 1.164 373 A CA 1.183 53.158 52.037 -0.103 0.000 0.644 373 A CB -0.913 17.981 19.000 -0.176 0.000 0.805 373 A HN 0.705 nan 8.150 nan 0.000 0.449 374 N N -0.465 118.131 118.700 -0.173 0.000 2.244 374 N HA -0.113 4.627 4.740 -0.001 0.000 0.183 374 N C 1.394 176.815 175.510 -0.149 0.000 1.016 374 N CA 1.479 54.428 53.050 -0.169 0.000 0.866 374 N CB -0.560 37.795 38.487 -0.219 0.000 0.980 374 N HN 0.778 nan 8.380 nan 0.000 0.430 375 H N 0.085 119.128 119.070 -0.044 0.000 2.389 375 H HA 0.060 4.615 4.556 -0.001 0.000 0.299 375 H C 1.606 176.921 175.328 -0.022 0.000 1.081 375 H CA 0.618 56.642 56.048 -0.040 0.000 1.345 375 H CB 0.273 30.017 29.762 -0.029 0.000 1.393 375 H HN 0.072 nan 8.280 nan 0.000 0.520 376 I N 0.513 121.150 120.570 0.111 0.000 2.286 376 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 376 I C 2.248 178.420 176.117 0.091 0.000 1.104 376 I CA 1.142 62.500 61.300 0.097 0.000 1.397 376 I CB -0.867 37.176 38.000 0.072 0.000 1.072 376 I HN 0.313 nan 8.210 nan 0.000 0.417 377 I N 0.250 120.842 120.570 0.036 0.000 2.142 377 I HA -0.317 3.852 4.170 -0.001 0.000 0.240 377 I C 2.797 178.947 176.117 0.055 0.000 1.078 377 I CA 1.269 62.593 61.300 0.040 0.000 1.343 377 I CB -0.450 37.546 38.000 -0.008 0.000 1.046 377 I HN 0.180 nan 8.210 nan 0.000 0.405 378 R N 1.129 121.628 120.500 -0.003 0.000 2.103 378 R HA -0.229 4.110 4.340 -0.001 0.000 0.242 378 R C 2.320 178.646 176.300 0.043 0.000 1.142 378 R CA 1.885 57.957 56.100 -0.046 0.000 0.960 378 R CB -0.280 29.946 30.300 -0.124 0.000 0.858 378 R HN 0.404 nan 8.270 nan 0.000 0.439 379 A N -0.436 122.428 122.820 0.075 0.000 1.969 379 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 379 A C 2.098 179.796 177.584 0.190 0.000 1.169 379 A CA 1.833 53.944 52.037 0.123 0.000 0.635 379 A CB -0.587 18.491 19.000 0.129 0.000 0.810 379 A HN 0.463 nan 8.150 nan 0.000 0.445 380 T N 0.407 115.073 114.554 0.186 0.000 2.777 380 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 380 T C 1.821 176.632 174.700 0.184 0.000 1.040 380 T CA 1.261 63.491 62.100 0.216 0.000 1.141 380 T CB -0.334 68.689 68.868 0.259 0.000 0.868 380 T HN 0.343 nan 8.240 nan 0.000 0.444 381 L N 0.749 122.070 121.223 0.163 0.000 2.017 381 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 381 L C 2.805 179.732 176.870 0.094 0.000 1.073 381 L CA 1.518 56.453 54.840 0.158 0.000 0.745 381 L CB -0.522 41.680 42.059 0.239 0.000 0.894 381 L HN 0.329 nan 8.230 nan 0.000 0.432 382 E N -0.268 119.949 120.200 0.028 0.000 2.118 382 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 382 E C 2.232 178.856 176.600 0.041 0.000 0.992 382 E CA 1.560 57.866 56.400 -0.156 0.000 0.804 382 E CB -0.096 29.398 29.700 -0.344 0.000 0.741 382 E HN 0.564 nan 8.360 nan 0.000 0.458 383 S N 0.841 116.641 115.700 0.167 0.000 2.400 383 S HA -0.159 4.311 4.470 -0.001 0.000 0.232 383 S C 2.000 176.594 174.600 -0.009 0.000 1.025 383 S CA 0.767 59.040 58.200 0.121 0.000 0.993 383 S CB -0.461 62.915 63.200 0.293 0.000 0.808 383 S HN 0.209 nan 8.310 nan 0.000 0.478 384 I N 1.848 122.450 120.570 0.054 0.000 2.286 384 I HA -0.121 4.048 4.170 -0.001 0.000 0.248 384 I C 2.976 179.113 176.117 0.034 0.000 1.115 384 I CA 1.218 62.561 61.300 0.072 0.000 1.392 384 I CB -0.532 37.555 38.000 0.145 0.000 1.065 384 I HN 0.468 nan 8.210 nan 0.000 0.418 385 A N -0.298 122.518 122.820 -0.007 0.000 1.935 385 A HA -0.132 4.188 4.320 -0.001 0.000 0.214 385 A C 2.043 179.508 177.584 -0.198 0.000 1.178 385 A CA 0.916 52.911 52.037 -0.070 0.000 0.640 385 A CB -0.636 18.352 19.000 -0.020 0.000 0.825 385 A HN 0.314 nan 8.150 nan 0.000 0.447 386 Y N 0.478 120.594 120.300 -0.306 0.000 2.200 386 Y HA -0.165 4.384 4.550 -0.001 0.000 0.290 386 Y C 2.707 178.265 175.900 -0.570 0.000 1.137 386 Y CA 1.614 59.280 58.100 -0.723 0.000 1.163 386 Y CB -0.495 36.897 38.460 -1.780 0.000 0.988 386 Y HN 0.404 nan 8.280 nan 0.000 0.518 387 Q N -0.871 118.793 119.800 -0.227 0.000 2.050 387 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 387 Q C 2.167 178.158 176.000 -0.015 0.000 0.980 387 Q CA 2.052 57.882 55.803 0.045 0.000 0.840 387 Q CB -0.442 28.337 28.738 0.068 0.000 0.898 387 Q HN 0.391 nan 8.270 nan 0.000 0.424 388 T N 0.927 115.434 114.554 -0.078 0.000 2.635 388 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 388 T C 1.724 176.372 174.700 -0.088 0.000 1.040 388 T CA 1.783 63.820 62.100 -0.105 0.000 1.156 388 T CB -0.281 68.528 68.868 -0.099 0.000 0.863 388 T HN 0.304 nan 8.240 nan 0.000 0.430 389 R N 0.892 121.334 120.500 -0.097 0.000 2.096 389 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 389 R C 1.855 178.154 176.300 -0.001 0.000 1.127 389 R CA 1.795 57.822 56.100 -0.123 0.000 0.968 389 R CB -0.312 29.819 30.300 -0.281 0.000 0.861 389 R HN 0.267 nan 8.270 nan 0.000 0.440 390 D N -0.135 120.364 120.400 0.165 0.000 2.158 390 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 390 D C 1.833 178.140 176.300 0.011 0.000 0.995 390 D CA 1.379 55.505 54.000 0.210 0.000 0.846 390 D CB -0.056 40.916 40.800 0.285 0.000 0.941 390 D HN 0.139 nan 8.370 nan 0.000 0.456 391 V N 0.583 120.468 119.914 -0.049 0.000 2.407 391 V HA -0.115 4.004 4.120 -0.001 0.000 0.245 391 V C 2.535 178.595 176.094 -0.057 0.000 1.041 391 V CA 0.792 63.038 62.300 -0.091 0.000 1.040 391 V CB -0.291 31.457 31.823 -0.125 0.000 0.671 391 V HN 0.192 nan 8.190 nan 0.000 0.455 392 L N -0.352 120.836 121.223 -0.058 0.000 2.141 392 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 392 L C 2.661 179.508 176.870 -0.039 0.000 1.094 392 L CA 1.174 55.983 54.840 -0.052 0.000 0.763 392 L CB -0.573 41.443 42.059 -0.070 0.000 0.908 392 L HN 0.352 nan 8.230 nan 0.000 0.437 393 E N 0.372 120.552 120.200 -0.034 0.000 2.106 393 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 393 E C 2.300 178.903 176.600 0.005 0.000 0.984 393 E CA 1.256 57.649 56.400 -0.012 0.000 0.806 393 E CB -0.031 29.687 29.700 0.029 0.000 0.750 393 E HN 0.464 nan 8.360 nan 0.000 0.458 394 A N 1.075 123.894 122.820 -0.002 0.000 1.898 394 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 394 A C 2.188 179.776 177.584 0.007 0.000 1.181 394 A CA 1.309 53.345 52.037 -0.000 0.000 0.620 394 A CB -0.405 18.581 19.000 -0.025 0.000 0.819 394 A HN 0.186 nan 8.150 nan 0.000 0.442 395 M N -1.129 118.472 119.600 0.001 0.000 2.200 395 M HA -0.153 4.326 4.480 -0.001 0.000 0.265 395 M C 2.384 178.690 176.300 0.009 0.000 1.066 395 M CA 1.819 57.124 55.300 0.009 0.000 1.127 395 M CB -0.106 32.496 32.600 0.004 0.000 1.379 395 M HN 0.629 nan 8.290 nan 0.000 0.420 396 Q N -0.139 119.663 119.800 0.002 0.000 2.050 396 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 396 Q C 1.846 177.851 176.000 0.009 0.000 0.980 396 Q CA 1.917 57.722 55.803 0.004 0.000 0.840 396 Q CB -0.147 28.589 28.738 -0.003 0.000 0.898 396 Q HN 0.627 nan 8.270 nan 0.000 0.424 397 A N 0.590 123.417 122.820 0.012 0.000 1.972 397 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 397 A C 1.629 179.222 177.584 0.015 0.000 1.169 397 A CA 1.730 53.777 52.037 0.016 0.000 0.635 397 A CB -0.436 18.577 19.000 0.022 0.000 0.810 397 A HN 0.422 nan 8.150 nan 0.000 0.446 398 D N -0.536 119.873 120.400 0.016 0.000 2.149 398 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 398 D C 2.299 178.605 176.300 0.011 0.000 0.972 398 D CA 1.819 55.829 54.000 0.016 0.000 0.835 398 D CB 0.008 40.821 40.800 0.021 0.000 0.966 398 D HN 0.585 nan 8.370 nan 0.000 0.476 399 S N -1.955 113.752 115.700 0.012 0.000 2.520 399 S HA 0.326 4.795 4.470 -0.001 0.000 0.219 399 S C 1.714 176.318 174.600 0.008 0.000 1.028 399 S CA 0.784 58.990 58.200 0.010 0.000 0.921 399 S CB 1.141 64.350 63.200 0.016 0.000 0.844 399 S HN 0.227 nan 8.310 nan 0.000 0.495 400 G N 1.372 110.177 108.800 0.008 0.000 2.179 400 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.260 400 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.260 400 G C -0.036 174.868 174.900 0.006 0.000 0.977 400 G CA 0.321 45.424 45.100 0.006 0.000 0.641 400 G HN 0.604 nan 8.290 nan 0.000 0.533 401 I N 1.129 121.704 120.570 0.009 0.000 2.307 401 I HA 0.329 4.498 4.170 -0.001 0.000 0.289 401 I C 0.803 176.927 176.117 0.011 0.000 1.021 401 I CA -0.847 60.459 61.300 0.011 0.000 1.224 401 I CB 1.192 39.201 38.000 0.015 0.000 1.376 401 I HN 0.146 nan 8.210 nan 0.000 0.470 402 R N 7.141 127.648 120.500 0.012 0.000 2.316 402 R HA 0.349 4.689 4.340 -0.001 0.000 0.314 402 R C -0.601 175.718 176.300 0.031 0.000 1.069 402 R CA -0.418 55.690 56.100 0.014 0.000 0.959 402 R CB 0.447 30.754 30.300 0.013 0.000 0.987 402 R HN 0.596 nan 8.270 nan 0.000 0.446 403 L N 4.256 125.494 121.223 0.025 0.000 2.525 403 L HA -0.029 4.310 4.340 -0.001 0.000 0.278 403 L C 1.283 178.201 176.870 0.080 0.000 1.218 403 L CA 0.050 54.917 54.840 0.044 0.000 0.878 403 L CB 0.424 42.491 42.059 0.014 0.000 1.127 403 L HN 0.811 nan 8.230 nan 0.000 0.492 404 H N 2.570 121.635 119.070 -0.009 0.000 2.482 404 H HA 0.330 4.886 4.556 -0.001 0.000 0.286 404 H C 0.137 175.461 175.328 -0.006 0.000 1.017 404 H CA 0.735 56.779 56.048 -0.008 0.000 1.322 404 H CB 0.517 30.276 29.762 -0.005 0.000 1.426 404 H HN 0.687 nan 8.280 nan 0.000 0.546 405 A N -0.415 122.374 122.820 -0.051 0.000 2.586 405 A HA 0.464 4.783 4.320 -0.001 0.000 0.291 405 A C -2.138 175.435 177.584 -0.019 0.000 1.062 405 A CA -0.588 51.397 52.037 -0.086 0.000 0.666 405 A CB 0.485 19.403 19.000 -0.137 0.000 1.281 405 A HN 0.184 nan 8.150 nan 0.000 0.421 406 L N 0.978 122.194 121.223 -0.013 0.000 2.343 406 L HA 0.655 4.995 4.340 -0.001 0.000 0.278 406 L C -0.021 176.869 176.870 0.033 0.000 0.996 406 L CA -0.127 54.720 54.840 0.011 0.000 0.831 406 L CB 1.258 43.319 42.059 0.004 0.000 1.232 406 L HN 0.749 nan 8.230 nan 0.000 0.413 407 R N 3.303 123.829 120.500 0.042 0.000 2.531 407 R HA 0.764 5.104 4.340 -0.001 0.000 0.273 407 R C -0.911 175.442 176.300 0.088 0.000 1.070 407 R CA -0.474 55.661 56.100 0.057 0.000 1.112 407 R CB 1.547 31.875 30.300 0.047 0.000 1.049 407 R HN 0.579 nan 8.270 nan 0.000 0.508 408 V N -1.241 118.739 119.914 0.110 0.000 2.971 408 V HA 0.595 4.715 4.120 -0.001 0.000 0.309 408 V C -1.080 175.108 176.094 0.156 0.000 1.130 408 V CA -0.940 61.467 62.300 0.177 0.000 0.964 408 V CB 2.270 34.223 31.823 0.217 0.000 1.029 408 V HN 0.978 nan 8.190 nan 0.000 0.427 409 D N 1.101 121.624 120.400 0.205 0.000 2.664 409 D HA 0.737 5.376 4.640 -0.001 0.000 0.292 409 D C 0.125 176.556 176.300 0.218 0.000 1.214 409 D CA -0.123 53.974 54.000 0.161 0.000 0.932 409 D CB 1.867 42.732 40.800 0.107 0.000 1.420 409 D HN 1.929 nan 8.370 nan 0.000 0.471 410 G N -1.580 107.314 108.800 0.156 0.000 2.712 410 G HA2 0.104 4.063 3.960 -0.001 0.000 0.683 410 G HA3 0.104 4.063 3.960 -0.001 0.000 0.683 410 G C 0.785 175.762 174.900 0.129 0.000 1.320 410 G CA 0.242 45.441 45.100 0.165 0.000 0.847 410 G HN 0.929 nan 8.290 nan 0.000 0.553 411 G N -0.017 108.857 108.800 0.122 0.000 2.513 411 G HA2 0.148 4.108 3.960 -0.001 0.000 0.219 411 G HA3 0.148 4.108 3.960 -0.001 0.000 0.219 411 G C 2.122 177.054 174.900 0.053 0.000 1.160 411 G CA 3.029 48.181 45.100 0.086 0.000 0.767 411 G HN 2.129 nan 8.290 nan 0.000 0.571 412 A N 0.352 123.202 122.820 0.050 0.000 2.168 412 A HA 0.183 4.503 4.320 -0.001 0.000 0.215 412 A C 2.580 180.062 177.584 -0.171 0.000 1.152 412 A CA 1.774 53.784 52.037 -0.045 0.000 0.716 412 A CB -0.515 18.458 19.000 -0.045 0.000 0.794 412 A HN 0.964 nan 8.150 nan 0.000 0.465 413 V N -2.588 117.237 119.914 -0.148 0.000 2.720 413 V HA -0.111 4.008 4.120 -0.001 0.000 0.256 413 V C 2.292 178.350 176.094 -0.059 0.000 1.082 413 V CA 1.720 63.925 62.300 -0.159 0.000 1.101 413 V CB -1.452 30.350 31.823 -0.035 0.000 0.693 413 V HN 0.467 nan 8.190 nan 0.000 0.479 414 A N 0.975 123.786 122.820 -0.014 0.000 2.125 414 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 414 A C 1.552 179.152 177.584 0.026 0.000 1.156 414 A CA 1.299 53.351 52.037 0.025 0.000 0.671 414 A CB -0.846 18.171 19.000 0.029 0.000 0.794 414 A HN 0.628 nan 8.150 nan 0.000 0.459 415 N N 1.032 119.720 118.700 -0.020 0.000 2.482 415 N HA 0.054 4.793 4.740 -0.001 0.000 0.242 415 N C 0.112 175.605 175.510 -0.028 0.000 1.100 415 N CA -0.234 52.816 53.050 0.001 0.000 0.946 415 N CB -0.024 38.462 38.487 -0.002 0.000 1.227 415 N HN 0.218 nan 8.380 nan 0.000 0.508 416 N N 2.163 120.903 118.700 0.066 0.000 2.166 416 N HA -0.180 4.559 4.740 -0.001 0.000 0.186 416 N C 1.281 176.824 175.510 0.055 0.000 1.019 416 N CA 0.798 53.920 53.050 0.120 0.000 0.856 416 N CB -0.326 38.293 38.487 0.219 0.000 0.993 416 N HN 0.581 nan 8.380 nan 0.000 0.426 417 F N 1.598 121.542 119.950 -0.010 0.000 2.134 417 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 417 F C 2.109 177.878 175.800 -0.051 0.000 1.097 417 F CA 0.806 58.797 58.000 -0.015 0.000 1.264 417 F CB -0.445 38.545 39.000 -0.016 0.000 1.001 417 F HN -0.043 nan 8.300 nan 0.000 0.479 418 L N 0.091 121.143 121.223 -0.285 0.000 2.056 418 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 418 L C 2.168 178.758 176.870 -0.467 0.000 1.078 418 L CA 1.694 56.298 54.840 -0.392 0.000 0.749 418 L CB -0.742 41.201 42.059 -0.194 0.000 0.901 418 L HN 0.132 nan 8.230 nan 0.000 0.433 419 M N -1.020 118.242 119.600 -0.564 0.000 2.117 419 M HA -0.184 4.295 4.480 -0.001 0.000 0.262 419 M C 2.328 178.119 176.300 -0.848 0.000 1.065 419 M CA 1.612 56.391 55.300 -0.868 0.000 1.114 419 M CB -1.222 30.528 32.600 -1.417 0.000 1.361 419 M HN 0.402 nan 8.290 nan 0.000 0.408 420 Q N -0.024 119.398 119.800 -0.629 0.000 2.123 420 Q HA -0.106 4.234 4.340 -0.001 0.000 0.199 420 Q C 1.865 177.712 176.000 -0.255 0.000 0.966 420 Q CA 1.414 57.066 55.803 -0.252 0.000 0.845 420 Q CB -0.511 28.228 28.738 0.001 0.000 0.907 420 Q HN 0.389 nan 8.270 nan 0.000 0.439 421 F N 0.661 120.296 119.950 -0.525 0.000 2.146 421 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 421 F C 2.187 177.741 175.800 -0.410 0.000 1.096 421 F CA 1.793 59.483 58.000 -0.517 0.000 1.275 421 F CB -0.374 38.148 39.000 -0.797 0.000 1.008 421 F HN 0.193 nan 8.300 nan 0.000 0.480 422 Q N 0.159 119.714 119.800 -0.408 0.000 2.077 422 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 422 Q C 2.508 178.279 176.000 -0.381 0.000 0.989 422 Q CA 2.389 57.961 55.803 -0.385 0.000 0.853 422 Q CB -0.847 27.732 28.738 -0.265 0.000 0.907 422 Q HN 0.396 nan 8.270 nan 0.000 0.418 423 S N -0.545 114.964 115.700 -0.319 0.000 2.368 423 S HA -0.155 4.314 4.470 -0.001 0.000 0.225 423 S C 1.304 175.759 174.600 -0.241 0.000 1.030 423 S CA 1.467 59.539 58.200 -0.213 0.000 0.999 423 S CB -0.452 62.687 63.200 -0.102 0.000 0.844 423 S HN 0.493 nan 8.310 nan 0.000 0.459 424 D N 0.929 121.144 120.400 -0.309 0.000 2.097 424 D HA -0.053 4.587 4.640 -0.001 0.000 0.195 424 D C 1.785 177.862 176.300 -0.371 0.000 0.989 424 D CA 0.925 54.750 54.000 -0.293 0.000 0.827 424 D CB -0.458 40.168 40.800 -0.289 0.000 0.966 424 D HN 0.416 nan 8.370 nan 0.000 0.456 425 I N 0.162 120.349 120.570 -0.638 0.000 2.546 425 I HA -0.146 4.023 4.170 -0.001 0.000 0.255 425 I C 1.717 177.600 176.117 -0.389 0.000 1.163 425 I CA 0.667 61.611 61.300 -0.593 0.000 1.457 425 I CB 0.105 37.508 38.000 -0.995 0.000 1.092 425 I HN -0.088 nan 8.210 nan 0.000 0.434 426 L N 0.694 121.705 121.223 -0.353 0.000 2.162 426 L HA 0.290 4.629 4.340 -0.001 0.000 0.205 426 L C 1.816 178.575 176.870 -0.185 0.000 1.086 426 L CA 1.393 56.079 54.840 -0.258 0.000 0.778 426 L CB -1.572 40.359 42.059 -0.213 0.000 0.928 426 L HN 0.432 nan 8.230 nan 0.000 0.446 427 G N -0.007 108.693 108.800 -0.168 0.000 2.176 427 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.252 427 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.252 427 G C 0.287 175.135 174.900 -0.087 0.000 1.024 427 G CA 0.580 45.615 45.100 -0.108 0.000 0.755 427 G HN 0.366 nan 8.290 nan 0.000 0.507 428 T N -0.314 114.179 114.554 -0.101 0.000 2.893 428 T HA 0.563 4.912 4.350 -0.001 0.000 0.293 428 T C 0.377 175.033 174.700 -0.074 0.000 1.027 428 T CA -0.797 61.255 62.100 -0.081 0.000 0.988 428 T CB 1.737 70.558 68.868 -0.079 0.000 1.043 428 T HN 0.429 nan 8.240 nan 0.000 0.461 429 R N 1.252 121.709 120.500 -0.071 0.000 2.623 429 R HA 0.410 4.749 4.340 -0.001 0.000 0.271 429 R C -0.757 175.529 176.300 -0.023 0.000 1.043 429 R CA -0.122 55.948 56.100 -0.049 0.000 1.083 429 R CB 0.395 30.640 30.300 -0.092 0.000 0.974 429 R HN 0.327 nan 8.270 nan 0.000 0.436 430 V N 3.857 123.798 119.914 0.044 0.000 2.409 430 V HA 0.179 4.299 4.120 -0.001 0.000 0.291 430 V C -0.454 175.741 176.094 0.169 0.000 1.020 430 V CA -0.601 61.745 62.300 0.077 0.000 0.848 430 V CB 1.630 33.454 31.823 0.002 0.000 0.990 430 V HN 0.755 nan 8.190 nan 0.000 0.430 431 E N 4.278 124.537 120.200 0.098 0.000 2.134 431 E HA 0.445 4.794 4.350 -0.001 0.000 0.278 431 E C -0.346 176.318 176.600 0.106 0.000 0.959 431 E CA -0.613 55.838 56.400 0.085 0.000 0.783 431 E CB 1.957 31.675 29.700 0.030 0.000 1.095 431 E HN 0.481 nan 8.360 nan 0.000 0.399 432 R N 5.007 125.584 120.500 0.129 0.000 2.215 432 R HA 0.262 4.601 4.340 -0.001 0.000 0.337 432 R C -2.362 173.977 176.300 0.064 0.000 1.010 432 R CA -1.976 54.196 56.100 0.119 0.000 0.871 432 R CB 0.677 31.094 30.300 0.194 0.000 1.134 432 R HN 0.298 nan 8.270 nan 0.000 0.477 433 P HA -0.014 nan 4.420 nan 0.000 0.275 433 P C -0.259 177.061 177.300 0.032 0.000 1.266 433 P CA -0.068 63.052 63.100 0.034 0.000 0.793 433 P CB 0.819 32.539 31.700 0.034 0.000 1.074 434 E N 0.163 120.377 120.200 0.023 0.000 2.152 434 E HA -0.030 4.319 4.350 -0.001 0.000 0.192 434 E C 0.439 177.056 176.600 0.029 0.000 0.983 434 E CA 0.364 56.778 56.400 0.023 0.000 0.818 434 E CB 0.025 29.735 29.700 0.017 0.000 0.758 434 E HN 0.310 nan 8.360 nan 0.000 0.467 435 V N -0.414 119.518 119.914 0.031 0.000 2.649 435 V HA 0.264 4.384 4.120 -0.001 0.000 0.292 435 V C 0.810 176.924 176.094 0.033 0.000 1.055 435 V CA -0.601 61.719 62.300 0.032 0.000 1.023 435 V CB 1.703 33.545 31.823 0.031 0.000 0.992 435 V HN 0.066 nan 8.190 nan 0.000 0.480 436 R N 1.022 121.541 120.500 0.031 0.000 2.257 436 R HA 0.235 4.574 4.340 -0.001 0.000 0.195 436 R C 0.803 177.121 176.300 0.030 0.000 0.921 436 R CA 0.172 56.294 56.100 0.036 0.000 1.069 436 R CB 0.172 30.495 30.300 0.038 0.000 1.115 436 R HN 0.793 nan 8.270 nan 0.000 0.571 437 E N 2.917 123.127 120.200 0.016 0.000 2.545 437 E HA 0.006 4.355 4.350 -0.001 0.000 0.271 437 E C 1.499 178.083 176.600 -0.026 0.000 1.508 437 E CA 0.011 56.413 56.400 0.003 0.000 1.774 437 E CB 0.210 29.911 29.700 0.003 0.000 1.460 437 E HN 0.085 nan 8.360 nan 0.000 0.449 438 V N -2.142 117.764 119.914 -0.014 0.000 2.427 438 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 438 V C 1.961 178.027 176.094 -0.047 0.000 1.051 438 V CA 1.669 63.946 62.300 -0.038 0.000 1.048 438 V CB -0.928 30.896 31.823 0.001 0.000 0.666 438 V HN 0.160 nan 8.190 nan 0.000 0.456 439 T N 1.254 115.799 114.554 -0.015 0.000 2.708 439 T HA -0.018 4.331 4.350 -0.001 0.000 0.266 439 T C 2.183 176.868 174.700 -0.026 0.000 1.037 439 T CA 2.048 64.142 62.100 -0.009 0.000 1.146 439 T CB -0.577 68.293 68.868 0.004 0.000 0.865 439 T HN 0.747 nan 8.240 nan 0.000 0.435 440 A N 0.962 123.764 122.820 -0.031 0.000 1.930 440 A HA 0.109 4.428 4.320 -0.001 0.000 0.217 440 A C 2.299 179.826 177.584 -0.095 0.000 1.175 440 A CA 0.968 52.986 52.037 -0.033 0.000 0.627 440 A CB -0.827 18.165 19.000 -0.013 0.000 0.815 440 A HN 0.444 nan 8.150 nan 0.000 0.443 441 L N -0.552 120.560 121.223 -0.185 0.000 2.083 441 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 441 L C 2.773 179.226 176.870 -0.695 0.000 1.083 441 L CA 1.064 55.618 54.840 -0.477 0.000 0.752 441 L CB -0.572 41.150 42.059 -0.562 0.000 0.899 441 L HN 0.502 nan 8.230 nan 0.000 0.433 442 G N -0.783 107.834 108.800 -0.305 0.000 2.421 442 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 442 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 442 G C 1.748 176.726 174.900 0.130 0.000 1.171 442 G CA 0.726 45.828 45.100 0.003 0.000 0.775 442 G HN 0.473 nan 8.290 nan 0.000 0.543 443 A N 1.075 123.920 122.820 0.042 0.000 1.940 443 A HA 0.226 4.545 4.320 -0.001 0.000 0.219 443 A C 2.760 180.417 177.584 0.123 0.000 1.176 443 A CA 2.333 54.409 52.037 0.065 0.000 0.631 443 A CB -0.658 18.365 19.000 0.038 0.000 0.814 443 A HN 0.794 nan 8.150 nan 0.000 0.446 444 A N -1.734 121.145 122.820 0.097 0.000 1.968 444 A HA 0.065 4.384 4.320 -0.001 0.000 0.217 444 A C 2.062 179.941 177.584 0.491 0.000 1.169 444 A CA 1.265 53.437 52.037 0.225 0.000 0.638 444 A CB -0.580 18.540 19.000 0.200 0.000 0.812 444 A HN 0.519 nan 8.150 nan 0.000 0.446 445 Y N 0.069 120.542 120.300 0.288 0.000 2.220 445 Y HA -0.011 4.538 4.550 -0.001 0.000 0.291 445 Y C 2.188 178.322 175.900 0.390 0.000 1.129 445 Y CA 0.490 58.750 58.100 0.267 0.000 1.161 445 Y CB -0.973 37.577 38.460 0.149 0.000 0.997 445 Y HN 0.179 nan 8.280 nan 0.000 0.522 446 L N -0.728 120.774 121.223 0.465 0.000 2.042 446 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 446 L C 2.596 179.595 176.870 0.216 0.000 1.076 446 L CA 1.398 56.375 54.840 0.228 0.000 0.749 446 L CB -0.807 41.265 42.059 0.021 0.000 0.893 446 L HN 0.137 nan 8.230 nan 0.000 0.432 447 A N -0.138 122.817 122.820 0.226 0.000 2.014 447 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 447 A C 2.356 180.045 177.584 0.175 0.000 1.163 447 A CA 1.374 53.504 52.037 0.154 0.000 0.652 447 A CB -0.923 18.148 19.000 0.118 0.000 0.808 447 A HN 0.435 nan 8.150 nan 0.000 0.449 448 G N -0.103 108.897 108.800 0.334 0.000 2.394 448 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.214 448 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.214 448 G C 1.517 176.667 174.900 0.416 0.000 1.176 448 G CA 0.812 46.153 45.100 0.402 0.000 0.786 448 G HN 0.385 nan 8.290 nan 0.000 0.533 449 L N 0.854 122.352 121.223 0.457 0.000 2.043 449 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 449 L C 3.369 180.352 176.870 0.188 0.000 1.075 449 L CA 1.213 56.241 54.840 0.314 0.000 0.752 449 L CB -0.379 41.848 42.059 0.281 0.000 0.891 449 L HN 0.330 nan 8.230 nan 0.000 0.432 450 A N -0.317 122.588 122.820 0.141 0.000 1.969 450 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 450 A C 1.980 179.590 177.584 0.044 0.000 1.169 450 A CA 1.660 53.727 52.037 0.051 0.000 0.635 450 A CB -0.477 18.509 19.000 -0.024 0.000 0.810 450 A HN 0.372 nan 8.150 nan 0.000 0.445 451 V N -4.465 115.495 119.914 0.076 0.000 3.578 451 V HA 0.550 4.669 4.120 -0.001 0.000 0.290 451 V C 1.261 177.407 176.094 0.087 0.000 1.376 451 V CA 0.510 62.846 62.300 0.059 0.000 1.083 451 V CB -0.753 31.095 31.823 0.042 0.000 0.911 451 V HN 1.382 nan 8.190 nan 0.000 0.433 452 G N 0.342 109.214 108.800 0.120 0.000 2.160 452 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.251 452 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.251 452 G C 0.365 175.333 174.900 0.112 0.000 1.008 452 G CA 0.627 45.795 45.100 0.114 0.000 0.724 452 G HN 0.620 nan 8.290 nan 0.000 0.514 453 F N -0.001 119.918 119.950 -0.051 0.000 2.126 453 F HA 0.187 4.713 4.527 -0.001 0.000 0.299 453 F C 1.224 176.877 175.800 -0.245 0.000 1.096 453 F CA 1.568 59.435 58.000 -0.222 0.000 1.255 453 F CB 0.121 38.863 39.000 -0.430 0.000 0.997 453 F HN 0.287 nan 8.300 nan 0.000 0.479 454 W N 0.227 121.643 121.300 0.192 0.000 2.736 454 W HA 0.273 4.932 4.660 -0.001 0.000 0.335 454 W C 0.901 177.450 176.519 0.050 0.000 1.059 454 W CA -0.699 56.675 57.345 0.048 0.000 1.226 454 W CB 1.244 30.707 29.460 0.007 0.000 1.416 454 W HN -0.172 nan 8.180 nan 0.000 0.505 455 Q N 1.286 121.237 119.800 0.252 0.000 2.123 455 Q HA -0.052 4.288 4.340 -0.001 0.000 0.196 455 Q C 0.305 176.376 176.000 0.118 0.000 0.958 455 Q CA 1.340 57.228 55.803 0.141 0.000 0.841 455 Q CB 0.361 29.156 28.738 0.095 0.000 0.915 455 Q HN 0.715 nan 8.270 nan 0.000 0.455 456 N N -2.891 115.870 118.700 0.101 0.000 3.378 456 N HA 0.099 4.838 4.740 -0.001 0.000 0.294 456 N C -0.228 175.249 175.510 -0.056 0.000 1.544 456 N CA -0.553 52.524 53.050 0.044 0.000 0.872 456 N CB -0.026 38.473 38.487 0.020 0.000 1.670 456 N HN -0.165 nan 8.380 nan 0.000 0.551 457 L N 0.223 121.377 121.223 -0.115 0.000 2.341 457 L HA 0.198 4.537 4.340 -0.001 0.000 0.214 457 L C 1.019 177.728 176.870 -0.269 0.000 1.115 457 L CA 1.285 55.962 54.840 -0.272 0.000 0.820 457 L CB -0.884 41.021 42.059 -0.257 0.000 0.944 457 L HN 0.591 nan 8.230 nan 0.000 0.452 458 D N -0.115 120.191 120.400 -0.157 0.000 2.149 458 D HA -0.280 4.359 4.640 -0.001 0.000 0.194 458 D C 1.925 178.140 176.300 -0.142 0.000 1.001 458 D CA 1.418 55.346 54.000 -0.121 0.000 0.849 458 D CB 0.183 40.944 40.800 -0.066 0.000 0.939 458 D HN 0.440 nan 8.370 nan 0.000 0.449 459 E N -0.055 120.055 120.200 -0.149 0.000 2.048 459 E HA -0.181 4.168 4.350 -0.001 0.000 0.202 459 E C 2.302 178.759 176.600 -0.239 0.000 1.021 459 E CA 0.976 57.288 56.400 -0.146 0.000 0.825 459 E CB -0.090 29.538 29.700 -0.118 0.000 0.756 459 E HN 0.227 nan 8.360 nan 0.000 0.454 460 L N 0.480 121.443 121.223 -0.432 0.000 2.291 460 L HA -0.115 4.225 4.340 -0.001 0.000 0.214 460 L C 2.593 179.270 176.870 -0.322 0.000 1.120 460 L CA 0.431 54.963 54.840 -0.514 0.000 0.799 460 L CB -0.224 41.224 42.059 -1.018 0.000 0.925 460 L HN 0.148 nan 8.230 nan 0.000 0.446 461 Q N 0.342 119.980 119.800 -0.270 0.000 2.167 461 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 461 Q C 1.852 177.780 176.000 -0.120 0.000 0.970 461 Q CA 1.278 56.973 55.803 -0.179 0.000 0.855 461 Q CB 0.152 28.799 28.738 -0.151 0.000 0.911 461 Q HN 0.388 nan 8.270 nan 0.000 0.438 462 E N 0.317 120.448 120.200 -0.114 0.000 2.427 462 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 462 E C 1.178 177.746 176.600 -0.053 0.000 1.028 462 E CA 0.661 57.019 56.400 -0.069 0.000 0.864 462 E CB 0.132 29.799 29.700 -0.055 0.000 0.813 462 E HN 0.485 nan 8.360 nan 0.000 0.514 463 K N -0.525 119.834 120.400 -0.068 0.000 2.355 463 K HA 0.392 4.711 4.320 -0.001 0.000 0.198 463 K C 0.821 177.404 176.600 -0.029 0.000 1.039 463 K CA 0.071 56.334 56.287 -0.038 0.000 1.075 463 K CB 0.736 33.219 32.500 -0.029 0.000 0.870 463 K HN -0.084 nan 8.250 nan 0.000 0.540 464 A N 1.756 124.549 122.820 -0.045 0.000 2.498 464 A HA 0.336 4.655 4.320 -0.001 0.000 0.239 464 A C -0.132 177.442 177.584 -0.016 0.000 1.068 464 A CA -0.020 52.001 52.037 -0.027 0.000 0.766 464 A CB 0.431 19.407 19.000 -0.039 0.000 1.003 464 A HN 0.050 nan 8.150 nan 0.000 0.497 465 V N 4.020 123.931 119.914 -0.006 0.000 2.623 465 V HA 0.229 4.348 4.120 -0.001 0.000 0.304 465 V C -0.682 175.411 176.094 -0.003 0.000 1.054 465 V CA -0.611 61.686 62.300 -0.006 0.000 0.882 465 V CB 1.739 33.561 31.823 -0.002 0.000 1.002 465 V HN 0.735 nan 8.190 nan 0.000 0.424 466 I N 4.574 125.139 120.570 -0.008 0.000 2.308 466 I HA 0.213 4.382 4.170 -0.001 0.000 0.293 466 I C 1.491 177.595 176.117 -0.020 0.000 1.078 466 I CA 0.463 61.758 61.300 -0.008 0.000 1.292 466 I CB 1.044 39.036 38.000 -0.013 0.000 1.423 466 I HN 0.836 nan 8.210 nan 0.000 0.493 467 E N 7.330 127.522 120.200 -0.014 0.000 2.158 467 E HA -0.059 4.290 4.350 -0.001 0.000 0.191 467 E C 0.433 176.994 176.600 -0.064 0.000 0.982 467 E CA 0.644 57.028 56.400 -0.026 0.000 0.823 467 E CB 0.618 30.314 29.700 -0.006 0.000 0.766 467 E HN 0.570 nan 8.360 nan 0.000 0.468 468 R N 0.337 120.789 120.500 -0.080 0.000 2.564 468 R HA 0.215 4.554 4.340 -0.001 0.000 0.284 468 R C -1.447 174.722 176.300 -0.217 0.000 1.031 468 R CA -0.476 55.499 56.100 -0.207 0.000 0.904 468 R CB 1.651 31.759 30.300 -0.321 0.000 1.199 468 R HN -0.050 nan 8.270 nan 0.000 0.443 469 E N 4.304 124.347 120.200 -0.263 0.000 2.166 469 E HA 0.285 4.635 4.350 -0.001 0.000 0.275 469 E C -1.384 175.031 176.600 -0.309 0.000 0.941 469 E CA -0.599 55.698 56.400 -0.172 0.000 0.784 469 E CB 0.787 30.425 29.700 -0.103 0.000 1.115 469 E HN 0.335 nan 8.360 nan 0.000 0.399 470 F N 3.177 123.094 119.950 -0.056 0.000 2.420 470 F HA 0.469 4.995 4.527 -0.001 0.000 0.342 470 F C 0.463 176.220 175.800 -0.071 0.000 1.113 470 F CA -0.738 57.225 58.000 -0.062 0.000 1.059 470 F CB 1.329 40.284 39.000 -0.074 0.000 1.128 470 F HN 0.249 nan 8.300 nan 0.000 0.475 471 R N 2.718 123.268 120.500 0.084 0.000 2.664 471 R HA 0.480 4.820 4.340 -0.001 0.000 0.286 471 R C -2.770 173.538 176.300 0.012 0.000 0.967 471 R CA -2.151 53.962 56.100 0.021 0.000 0.933 471 R CB 1.146 31.440 30.300 -0.010 0.000 1.146 471 R HN 0.264 nan 8.270 nan 0.000 0.468 472 P HA -0.007 nan 4.420 nan 0.000 0.264 472 P C 0.233 177.521 177.300 -0.020 0.000 1.193 472 P CA 0.303 63.379 63.100 -0.041 0.000 0.763 472 P CB 0.673 32.341 31.700 -0.055 0.000 0.810 473 G N 2.678 111.468 108.800 -0.017 0.000 3.159 473 G HA2 0.327 4.287 3.960 -0.001 0.000 0.232 473 G HA3 0.327 4.287 3.960 -0.001 0.000 0.232 473 G C 0.308 175.216 174.900 0.012 0.000 1.116 473 G CA -0.115 44.990 45.100 0.008 0.000 0.767 473 G HN 0.569 nan 8.290 nan 0.000 0.547 474 I N -4.011 116.558 120.570 -0.003 0.000 3.074 474 I HA 0.662 4.831 4.170 -0.001 0.000 0.310 474 I C -1.217 174.903 176.117 0.005 0.000 1.153 474 I CA -1.352 59.955 61.300 0.012 0.000 0.993 474 I CB 2.213 40.229 38.000 0.027 0.000 1.237 474 I HN -0.326 nan 8.210 nan 0.000 0.443 475 E N 2.064 122.276 120.200 0.021 0.000 2.331 475 E HA 0.186 4.535 4.350 -0.001 0.000 0.272 475 E C 0.729 177.347 176.600 0.030 0.000 1.036 475 E CA -0.385 56.028 56.400 0.021 0.000 0.864 475 E CB 1.466 31.181 29.700 0.026 0.000 1.035 475 E HN 0.698 nan 8.360 nan 0.000 0.408 476 T N 2.016 116.584 114.554 0.023 0.000 2.751 476 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 476 T C 1.562 176.298 174.700 0.059 0.000 1.045 476 T CA 2.099 64.217 62.100 0.030 0.000 1.142 476 T CB 0.041 68.924 68.868 0.025 0.000 0.851 476 T HN 0.430 nan 8.240 nan 0.000 0.474 477 T N 0.722 115.312 114.554 0.061 0.000 2.812 477 T HA -0.031 4.318 4.350 -0.001 0.000 0.264 477 T C 1.931 176.706 174.700 0.125 0.000 1.042 477 T CA 1.214 63.361 62.100 0.079 0.000 1.140 477 T CB -0.107 68.790 68.868 0.048 0.000 0.870 477 T HN 0.570 nan 8.240 nan 0.000 0.445 478 E N 1.171 121.438 120.200 0.112 0.000 2.107 478 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 478 E C 2.341 179.077 176.600 0.226 0.000 0.982 478 E CA 0.700 57.198 56.400 0.163 0.000 0.809 478 E CB 0.008 29.782 29.700 0.123 0.000 0.756 478 E HN 0.464 nan 8.360 nan 0.000 0.459 479 R N 0.121 120.711 120.500 0.151 0.000 2.115 479 R HA -0.029 4.310 4.340 -0.001 0.000 0.226 479 R C 1.645 178.068 176.300 0.206 0.000 1.100 479 R CA 1.513 57.692 56.100 0.132 0.000 0.980 479 R CB -0.187 30.122 30.300 0.014 0.000 0.875 479 R HN 0.053 nan 8.270 nan 0.000 0.445 480 N N 0.048 118.866 118.700 0.196 0.000 2.250 480 N HA -0.139 4.600 4.740 -0.001 0.000 0.181 480 N C 1.314 176.989 175.510 0.275 0.000 1.017 480 N CA 0.994 54.178 53.050 0.224 0.000 0.866 480 N CB -0.401 38.183 38.487 0.163 0.000 0.985 480 N HN 0.290 nan 8.380 nan 0.000 0.429 481 Y N 1.955 122.351 120.300 0.160 0.000 2.181 481 Y HA -0.049 4.500 4.550 -0.001 0.000 0.288 481 Y C 2.184 178.214 175.900 0.216 0.000 1.146 481 Y CA 1.558 59.750 58.100 0.154 0.000 1.164 481 Y CB 0.042 38.579 38.460 0.128 0.000 0.982 481 Y HN -0.067 nan 8.280 nan 0.000 0.515 482 R N -1.423 119.266 120.500 0.315 0.000 2.092 482 R HA -0.198 4.141 4.340 -0.001 0.000 0.231 482 R C 2.046 178.595 176.300 0.414 0.000 1.119 482 R CA 1.555 57.887 56.100 0.385 0.000 0.970 482 R CB -0.812 29.809 30.300 0.535 0.000 0.864 482 R HN 0.430 nan 8.270 nan 0.000 0.440 483 Y N 1.201 121.657 120.300 0.259 0.000 2.373 483 Y HA -0.066 4.483 4.550 -0.001 0.000 0.293 483 Y C 2.133 178.057 175.900 0.039 0.000 1.129 483 Y CA 0.689 58.917 58.100 0.213 0.000 1.226 483 Y CB -0.216 38.369 38.460 0.208 0.000 1.000 483 Y HN 0.023 nan 8.280 nan 0.000 0.549 484 A N -0.360 122.437 122.820 -0.038 0.000 1.930 484 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 484 A C 2.471 179.831 177.584 -0.374 0.000 1.175 484 A CA 1.533 53.447 52.037 -0.205 0.000 0.627 484 A CB -1.456 17.473 19.000 -0.118 0.000 0.815 484 A HN 0.515 nan 8.150 nan 0.000 0.443 485 G N -1.544 107.016 108.800 -0.401 0.000 2.421 485 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 485 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 485 G C 1.456 175.696 174.900 -1.101 0.000 1.143 485 G CA 0.773 45.530 45.100 -0.572 0.000 0.784 485 G HN 0.703 nan 8.290 nan 0.000 0.541 486 W N 1.894 122.433 121.300 -1.269 0.000 2.358 486 W HA -0.039 4.621 4.660 -0.001 0.000 0.303 486 W C 1.824 177.823 176.519 -0.867 0.000 1.208 486 W CA 1.357 57.909 57.345 -1.322 0.000 1.274 486 W CB -0.028 28.694 29.460 -1.231 0.000 1.138 486 W HN 0.147 nan 8.180 nan 0.000 0.515 487 K N 0.602 120.490 120.400 -0.854 0.000 2.211 487 K HA -0.186 4.133 4.320 -0.001 0.000 0.203 487 K C 2.032 178.216 176.600 -0.693 0.000 1.050 487 K CA 1.335 57.162 56.287 -0.766 0.000 0.945 487 K CB -0.385 31.804 32.500 -0.518 0.000 0.732 487 K HN 0.181 nan 8.250 nan 0.000 0.451 488 K N 1.321 121.323 120.400 -0.663 0.000 2.097 488 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 488 K C 2.121 178.261 176.600 -0.767 0.000 1.050 488 K CA 1.055 56.994 56.287 -0.579 0.000 0.938 488 K CB -0.028 32.186 32.500 -0.476 0.000 0.718 488 K HN 0.065 nan 8.250 nan 0.000 0.442 489 A N 0.788 123.019 122.820 -0.982 0.000 1.873 489 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 489 A C 2.227 179.240 177.584 -0.952 0.000 1.186 489 A CA 1.526 52.826 52.037 -1.228 0.000 0.616 489 A CB -0.666 17.770 19.000 -0.939 0.000 0.823 489 A HN 0.156 nan 8.150 nan 0.000 0.442 490 V N 0.529 119.836 119.914 -1.011 0.000 2.287 490 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 490 V C 2.557 178.300 176.094 -0.586 0.000 1.053 490 V CA 2.425 64.217 62.300 -0.846 0.000 1.027 490 V CB -0.698 30.534 31.823 -0.985 0.000 0.646 490 V HN 0.674 nan 8.190 nan 0.000 0.447 491 K N 0.046 120.120 120.400 -0.544 0.000 2.103 491 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 491 K C 2.283 178.726 176.600 -0.262 0.000 1.048 491 K CA 1.576 57.643 56.287 -0.367 0.000 0.930 491 K CB -0.089 32.218 32.500 -0.323 0.000 0.716 491 K HN 0.384 nan 8.250 nan 0.000 0.444 492 R N -0.654 119.655 120.500 -0.317 0.000 2.236 492 R HA 0.036 4.375 4.340 -0.001 0.000 0.208 492 R C 1.977 178.326 176.300 0.082 0.000 1.036 492 R CA 0.677 56.702 56.100 -0.124 0.000 1.001 492 R CB 0.105 30.260 30.300 -0.242 0.000 0.896 492 R HN 0.169 nan 8.270 nan 0.000 0.464 493 A N 0.566 123.383 122.820 -0.003 0.000 2.081 493 A HA 0.118 4.437 4.320 -0.001 0.000 0.214 493 A C 0.979 178.572 177.584 0.015 0.000 1.158 493 A CA 0.188 52.234 52.037 0.016 0.000 0.724 493 A CB 0.036 18.997 19.000 -0.066 0.000 0.826 493 A HN 0.103 nan 8.150 nan 0.000 0.463 494 M N -1.149 118.420 119.600 -0.051 0.000 2.226 494 M HA 0.397 4.876 4.480 -0.001 0.000 0.324 494 M C 0.960 177.317 176.300 0.094 0.000 1.112 494 M CA 0.627 55.915 55.300 -0.020 0.000 1.176 494 M CB 0.341 32.875 32.600 -0.109 0.000 1.430 494 M HN 0.657 nan 8.290 nan 0.000 0.462 495 A N 1.672 124.581 122.820 0.149 0.000 2.610 495 A HA -0.176 4.144 4.320 -0.001 0.000 0.299 495 A C 0.682 178.352 177.584 0.143 0.000 1.487 495 A CA 1.074 53.200 52.037 0.148 0.000 0.743 495 A CB -2.096 16.943 19.000 0.065 0.000 1.070 495 A HN 1.129 nan 8.150 nan 0.000 0.439 496 W N 0.006 121.327 121.300 0.035 0.000 2.560 496 W HA 0.124 4.783 4.660 -0.002 0.000 0.303 496 W C 0.723 177.245 176.519 0.005 0.000 1.151 496 W CA 1.094 58.445 57.345 0.010 0.000 1.426 496 W CB -0.030 29.441 29.460 0.018 0.000 1.135 496 W HN 0.566 nan 8.180 nan 0.000 0.522 497 E N 2.546 122.839 120.200 0.155 0.000 2.415 497 E HA -0.059 4.290 4.350 -0.001 0.000 0.263 497 E C -0.873 175.654 176.600 -0.122 0.000 0.995 497 E CA 0.388 56.829 56.400 0.069 0.000 0.915 497 E CB 0.623 30.520 29.700 0.328 0.000 0.951 497 E HN -0.123 nan 8.360 nan 0.000 0.449 498 E N 2.998 123.064 120.200 -0.222 0.000 2.229 498 E HA 0.148 4.497 4.350 -0.001 0.000 0.283 498 E C -0.672 175.786 176.600 -0.237 0.000 1.030 498 E CA -0.302 55.893 56.400 -0.342 0.000 0.836 498 E CB 0.121 29.641 29.700 -0.301 0.000 1.068 498 E HN 0.549 nan 8.360 nan 0.000 0.401 499 H N 0.000 118.854 119.070 -0.359 0.000 2.539 499 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 499 H CA 0.000 55.858 56.048 -0.316 0.000 1.023 499 H CB 0.000 29.229 29.762 -0.888 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496