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 2ejw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEALKIALLG GGTVGSAFYN LVLERAEELS AFGVVPRFLG VLVRDPRKPR DATA SEQUENCE AIPQELLRAE PFDLLEADLV VEAMGGVEAP LRLVLPALEA GIPLITANKA DATA SEQUENCE LLAEAWESLR PFAEEGLIYH EASVMAGTPA LSFLETLRGS ELLELHGILN DATA SEQUENCE GTTLYILQEM EKGRTYAEAL LEAQRLGYAE ADPTLDVEGI DAAHKLTLLA DATA SEQUENCE RLLVDPGFPF AEVEAQGIAR LTPEVLQKAE ARGERVRLVA SLFGEGGRWR DATA SEQUENCE AAVAPRRLPQ DHPLARARGN ALWVRARPLG EAFVTGPGAG GGATASGLFA DATA SEQUENCE DLLRFLSGAP GHLPAPRARP PLEEGSPWPG V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 E N 1.091 121.307 120.200 0.027 0.000 2.349 2 E HA 0.794 5.144 4.350 -0.000 0.000 0.262 2 E C 0.073 176.689 176.600 0.026 0.000 1.088 2 E CA -0.715 55.700 56.400 0.026 0.000 0.899 2 E CB 1.431 31.148 29.700 0.027 0.000 1.044 2 E HN 0.539 nan 8.360 nan 0.000 0.420 3 A N 1.986 124.819 122.820 0.021 0.000 2.340 3 A HA 0.335 4.655 4.320 -0.000 0.000 0.268 3 A C -0.599 176.991 177.584 0.009 0.000 1.100 3 A CA -0.690 51.356 52.037 0.014 0.000 0.803 3 A CB 0.480 19.487 19.000 0.012 0.000 1.043 3 A HN 0.519 nan 8.150 nan 0.000 0.488 4 L N 2.089 123.305 121.223 -0.011 0.000 2.321 4 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 4 L C -0.179 176.641 176.870 -0.084 0.000 1.050 4 L CA -0.128 54.698 54.840 -0.024 0.000 0.893 4 L CB 0.268 42.311 42.059 -0.026 0.000 1.272 4 L HN 0.611 nan 8.230 nan 0.000 0.435 5 K N 6.196 126.561 120.400 -0.058 0.000 2.378 5 K HA 0.385 4.705 4.320 -0.000 0.000 0.288 5 K C -0.790 175.741 176.600 -0.114 0.000 1.057 5 K CA 0.238 56.483 56.287 -0.070 0.000 0.971 5 K CB 0.672 33.164 32.500 -0.014 0.000 0.975 5 K HN 0.558 nan 8.250 nan 0.000 0.475 6 I N 2.229 122.680 120.570 -0.199 0.000 2.406 6 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 6 I C -0.293 175.843 176.117 0.033 0.000 0.999 6 I CA -0.873 60.309 61.300 -0.197 0.000 1.124 6 I CB 1.976 39.651 38.000 -0.541 0.000 1.289 6 I HN 0.558 nan 8.210 nan 0.000 0.441 7 A N 6.956 129.849 122.820 0.122 0.000 2.258 7 A HA 0.661 4.981 4.320 -0.000 0.000 0.316 7 A C -0.957 176.800 177.584 0.289 0.000 1.279 7 A CA -0.424 51.788 52.037 0.291 0.000 0.876 7 A CB 0.750 19.862 19.000 0.186 0.000 1.170 7 A HN 0.593 nan 8.150 nan 0.000 0.520 8 L N 3.920 125.409 121.223 0.444 0.000 2.272 8 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 8 L C -0.866 176.164 176.870 0.266 0.000 1.032 8 L CA -0.197 54.864 54.840 0.369 0.000 0.810 8 L CB 0.904 43.273 42.059 0.517 0.000 1.205 8 L HN 0.594 nan 8.230 nan 0.000 0.422 9 L N 6.361 127.665 121.223 0.135 0.000 2.283 9 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 9 L C 0.204 177.110 176.870 0.060 0.000 1.033 9 L CA -0.519 54.368 54.840 0.079 0.000 0.848 9 L CB 0.801 42.856 42.059 -0.006 0.000 1.226 9 L HN 0.875 nan 8.230 nan 0.000 0.429 10 G N 1.462 110.307 108.800 0.075 0.000 3.313 10 G HA2 0.086 4.046 3.960 -0.000 0.000 0.659 10 G HA3 0.086 4.046 3.960 -0.000 0.000 0.659 10 G C -0.030 174.903 174.900 0.056 0.000 1.286 10 G CA -0.425 44.705 45.100 0.050 0.000 1.077 10 G HN 0.742 nan 8.290 nan 0.000 0.551 11 G N 0.455 109.273 108.800 0.030 0.000 3.690 11 G HA2 0.636 4.596 3.960 -0.000 0.000 0.283 11 G HA3 0.636 4.596 3.960 -0.000 0.000 0.283 11 G C 0.991 175.894 174.900 0.004 0.000 1.057 11 G CA 0.999 46.103 45.100 0.006 0.000 0.821 11 G HN 1.258 nan 8.290 nan 0.000 0.526 12 G N 0.280 109.091 108.800 0.018 0.000 2.468 12 G HA2 0.282 4.242 3.960 -0.000 0.000 0.264 12 G HA3 0.282 4.242 3.960 -0.000 0.000 0.264 12 G C 1.257 176.171 174.900 0.023 0.000 1.460 12 G CA 0.792 45.901 45.100 0.015 0.000 1.060 12 G HN 0.082 nan 8.290 nan 0.000 0.543 13 T N -0.365 114.202 114.554 0.022 0.000 2.652 13 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 13 T C 2.545 177.276 174.700 0.052 0.000 1.039 13 T CA 1.558 63.674 62.100 0.027 0.000 1.153 13 T CB -0.397 68.483 68.868 0.019 0.000 0.863 13 T HN 0.114 nan 8.240 nan 0.000 0.428 14 V N 1.504 121.454 119.914 0.059 0.000 2.261 14 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 14 V C 2.931 179.106 176.094 0.135 0.000 1.047 14 V CA 2.042 64.395 62.300 0.087 0.000 1.015 14 V CB -1.478 30.384 31.823 0.064 0.000 0.642 14 V HN 0.620 nan 8.190 nan 0.000 0.446 15 G N -1.139 107.729 108.800 0.114 0.000 2.440 15 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 15 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 15 G C 1.942 176.959 174.900 0.195 0.000 1.154 15 G CA 1.366 46.567 45.100 0.167 0.000 0.767 15 G HN 0.489 nan 8.290 nan 0.000 0.552 16 S N 0.626 116.390 115.700 0.107 0.000 2.355 16 S HA 0.067 4.536 4.470 -0.000 0.000 0.222 16 S C 2.762 177.433 174.600 0.118 0.000 1.031 16 S CA 1.568 59.815 58.200 0.078 0.000 0.993 16 S CB -0.486 62.728 63.200 0.023 0.000 0.859 16 S HN 0.558 nan 8.310 nan 0.000 0.453 17 A N 0.663 123.550 122.820 0.112 0.000 1.908 17 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 17 A C 1.985 179.641 177.584 0.120 0.000 1.181 17 A CA 1.735 53.829 52.037 0.094 0.000 0.627 17 A CB -1.095 17.960 19.000 0.092 0.000 0.818 17 A HN 0.678 nan 8.150 nan 0.000 0.445 18 F N -0.809 119.182 119.950 0.068 0.000 2.102 18 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 18 F C 2.138 177.997 175.800 0.099 0.000 1.105 18 F CA 1.839 59.897 58.000 0.096 0.000 1.239 18 F CB -0.742 38.350 39.000 0.153 0.000 0.991 18 F HN 0.382 nan 8.300 nan 0.000 0.474 19 Y N 1.624 121.877 120.300 -0.079 0.000 2.114 19 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 19 Y C 2.351 178.057 175.900 -0.323 0.000 1.165 19 Y CA 2.424 60.319 58.100 -0.343 0.000 1.148 19 Y CB -0.876 37.348 38.460 -0.392 0.000 0.972 19 Y HN 0.104 nan 8.280 nan 0.000 0.504 20 N N 0.249 118.863 118.700 -0.144 0.000 2.244 20 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 20 N C 1.823 177.155 175.510 -0.296 0.000 1.016 20 N CA 1.307 54.238 53.050 -0.198 0.000 0.866 20 N CB -0.416 38.054 38.487 -0.028 0.000 0.980 20 N HN 0.387 nan 8.380 nan 0.000 0.430 21 L N 1.366 122.396 121.223 -0.323 0.000 2.056 21 L HA -0.062 4.277 4.340 -0.000 0.000 0.207 21 L C 2.133 178.621 176.870 -0.638 0.000 1.078 21 L CA 1.209 55.786 54.840 -0.437 0.000 0.749 21 L CB -0.628 41.182 42.059 -0.415 0.000 0.901 21 L HN -0.147 nan 8.230 nan 0.000 0.433 22 V N -0.262 119.255 119.914 -0.661 0.000 2.332 22 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 22 V C 2.552 178.474 176.094 -0.288 0.000 1.055 22 V CA 2.068 64.089 62.300 -0.466 0.000 1.038 22 V CB -0.584 31.050 31.823 -0.316 0.000 0.651 22 V HN 0.432 nan 8.190 nan 0.000 0.450 23 L N -0.517 120.500 121.223 -0.342 0.000 2.109 23 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 23 L C 2.562 179.321 176.870 -0.186 0.000 1.086 23 L CA 1.513 56.204 54.840 -0.248 0.000 0.760 23 L CB -0.685 41.169 42.059 -0.342 0.000 0.910 23 L HN 0.397 nan 8.230 nan 0.000 0.437 24 E N 0.126 120.192 120.200 -0.224 0.000 2.110 24 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 24 E C 1.437 177.949 176.600 -0.145 0.000 0.988 24 E CA 0.713 57.013 56.400 -0.167 0.000 0.804 24 E CB 0.084 29.677 29.700 -0.178 0.000 0.745 24 E HN 0.314 nan 8.360 nan 0.000 0.458 25 R N 0.194 120.568 120.500 -0.209 0.000 2.480 25 R HA 0.263 4.603 4.340 -0.000 0.000 0.277 25 R C 1.376 177.691 176.300 0.025 0.000 1.008 25 R CA 0.246 56.279 56.100 -0.112 0.000 1.090 25 R CB 0.192 30.338 30.300 -0.257 0.000 1.234 25 R HN 0.080 nan 8.270 nan 0.000 0.549 26 A N 1.095 123.911 122.820 -0.006 0.000 1.986 26 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 26 A C 2.043 179.669 177.584 0.070 0.000 1.171 26 A CA 1.616 53.675 52.037 0.037 0.000 0.640 26 A CB -0.130 18.872 19.000 0.004 0.000 0.811 26 A HN 0.179 nan 8.150 nan 0.000 0.451 27 E N -0.299 119.935 120.200 0.057 0.000 2.268 27 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 27 E C 1.817 178.477 176.600 0.099 0.000 0.995 27 E CA 1.265 57.702 56.400 0.062 0.000 0.836 27 E CB -0.137 29.586 29.700 0.038 0.000 0.763 27 E HN 0.627 nan 8.360 nan 0.000 0.491 28 E N -0.794 119.495 120.200 0.149 0.000 2.152 28 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 28 E C 1.483 178.260 176.600 0.295 0.000 0.983 28 E CA 0.537 57.065 56.400 0.214 0.000 0.818 28 E CB -0.126 29.745 29.700 0.285 0.000 0.758 28 E HN 0.201 nan 8.360 nan 0.000 0.467 29 L N 0.196 121.570 121.223 0.252 0.000 2.156 29 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 29 L C 2.518 179.528 176.870 0.233 0.000 1.095 29 L CA 1.919 56.905 54.840 0.243 0.000 0.770 29 L CB -1.172 40.973 42.059 0.144 0.000 0.914 29 L HN 0.229 nan 8.230 nan 0.000 0.439 30 S N -0.297 115.491 115.700 0.147 0.000 2.399 30 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 30 S C 2.122 176.761 174.600 0.065 0.000 1.022 30 S CA 1.384 59.639 58.200 0.090 0.000 0.983 30 S CB -0.574 62.659 63.200 0.055 0.000 0.803 30 S HN 0.355 nan 8.310 nan 0.000 0.480 31 A N -0.346 122.505 122.820 0.053 0.000 2.070 31 A HA 0.242 4.562 4.320 -0.000 0.000 0.220 31 A C 1.495 178.930 177.584 -0.248 0.000 1.159 31 A CA 0.959 52.931 52.037 -0.109 0.000 0.656 31 A CB -0.544 18.351 19.000 -0.175 0.000 0.800 31 A HN 0.531 nan 8.150 nan 0.000 0.453 32 F N -1.082 118.860 119.950 -0.013 0.000 2.695 32 F HA 0.368 4.895 4.527 -0.000 0.000 0.303 32 F C 1.714 177.501 175.800 -0.023 0.000 1.091 32 F CA 0.537 58.520 58.000 -0.027 0.000 1.300 32 F CB 0.302 39.278 39.000 -0.040 0.000 1.071 32 F HN 0.319 nan 8.300 nan 0.000 0.578 33 G N 1.131 109.997 108.800 0.111 0.000 2.137 33 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.237 33 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.237 33 G C -0.137 174.807 174.900 0.074 0.000 1.002 33 G CA 0.174 45.315 45.100 0.068 0.000 0.702 33 G HN 0.564 nan 8.290 nan 0.000 0.515 34 V N -3.490 116.482 119.914 0.096 0.000 3.040 34 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 34 V C -0.096 176.033 176.094 0.058 0.000 1.115 34 V CA -1.227 61.114 62.300 0.068 0.000 0.998 34 V CB 2.475 34.337 31.823 0.064 0.000 1.042 34 V HN 0.685 nan 8.190 nan 0.000 0.433 35 V N 3.212 123.148 119.914 0.036 0.000 2.588 35 V HA 0.583 4.703 4.120 -0.000 0.000 0.304 35 V C -2.447 173.650 176.094 0.006 0.000 1.042 35 V CA -1.617 60.700 62.300 0.028 0.000 0.877 35 V CB 2.264 34.103 31.823 0.026 0.000 0.996 35 V HN 0.966 nan 8.190 nan 0.000 0.425 36 P HA 0.464 nan 4.420 nan 0.000 0.279 36 P C -1.041 176.234 177.300 -0.041 0.000 1.239 36 P CA -0.563 62.495 63.100 -0.071 0.000 0.789 36 P CB 1.036 32.688 31.700 -0.079 0.000 0.933 37 R N 2.349 122.787 120.500 -0.104 0.000 2.510 37 R HA 0.421 4.761 4.340 -0.000 0.000 0.294 37 R C -0.857 175.420 176.300 -0.039 0.000 1.056 37 R CA -0.529 55.580 56.100 0.015 0.000 0.918 37 R CB 1.132 31.447 30.300 0.026 0.000 1.187 37 R HN 0.349 nan 8.270 nan 0.000 0.437 38 F N 3.400 123.406 119.950 0.094 0.000 2.420 38 F HA 0.224 4.751 4.527 -0.000 0.000 0.352 38 F C 1.595 177.437 175.800 0.070 0.000 1.108 38 F CA -0.468 57.607 58.000 0.126 0.000 1.162 38 F CB 0.936 40.067 39.000 0.219 0.000 1.118 38 F HN 0.407 nan 8.300 nan 0.000 0.510 39 L N 2.554 123.897 121.223 0.201 0.000 2.217 39 L HA 0.195 4.535 4.340 -0.000 0.000 0.211 39 L C 1.113 177.938 176.870 -0.076 0.000 1.107 39 L CA 0.676 55.578 54.840 0.102 0.000 0.783 39 L CB -0.530 41.635 42.059 0.178 0.000 0.919 39 L HN 0.810 nan 8.230 nan 0.000 0.442 40 G N -1.307 107.464 108.800 -0.049 0.000 2.355 40 G HA2 0.381 4.341 3.960 -0.000 0.000 0.296 40 G HA3 0.381 4.341 3.960 -0.000 0.000 0.296 40 G C -1.921 172.956 174.900 -0.040 0.000 1.507 40 G CA -0.613 44.256 45.100 -0.386 0.000 0.823 40 G HN -0.324 nan 8.290 nan 0.000 0.569 41 V N 1.097 120.963 119.914 -0.080 0.000 2.409 41 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 41 V C -0.136 176.027 176.094 0.115 0.000 1.017 41 V CA -0.695 61.653 62.300 0.081 0.000 0.841 41 V CB 1.234 33.014 31.823 -0.073 0.000 1.003 41 V HN 0.823 nan 8.190 nan 0.000 0.426 42 L N 7.554 128.952 121.223 0.291 0.000 2.360 42 L HA 0.586 4.926 4.340 -0.000 0.000 0.276 42 L C -0.054 176.878 176.870 0.103 0.000 1.121 42 L CA 0.509 55.493 54.840 0.240 0.000 0.845 42 L CB 1.207 43.414 42.059 0.247 0.000 1.143 42 L HN 0.603 nan 8.230 nan 0.000 0.452 43 V N 2.790 122.740 119.914 0.061 0.000 2.735 43 V HA 0.593 4.713 4.120 -0.000 0.000 0.310 43 V C 0.911 177.018 176.094 0.021 0.000 1.061 43 V CA -0.786 61.529 62.300 0.025 0.000 0.913 43 V CB 1.635 33.455 31.823 -0.005 0.000 1.005 43 V HN 0.793 nan 8.190 nan 0.000 0.428 44 R N 0.872 121.381 120.500 0.014 0.000 2.073 44 R HA 0.079 4.419 4.340 -0.000 0.000 0.229 44 R C 0.193 176.496 176.300 0.005 0.000 1.120 44 R CA 1.409 57.515 56.100 0.011 0.000 0.967 44 R CB 0.130 30.435 30.300 0.008 0.000 0.862 44 R HN 0.873 nan 8.270 nan 0.000 0.436 45 D N 0.368 120.767 120.400 -0.001 0.000 2.464 45 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 45 D C -1.838 174.454 176.300 -0.013 0.000 1.104 45 D CA -2.521 51.475 54.000 -0.006 0.000 0.883 45 D CB 1.551 42.346 40.800 -0.007 0.000 1.050 45 D HN -0.079 nan 8.370 nan 0.000 0.524 46 P HA -0.006 nan 4.420 nan 0.000 0.237 46 P C 0.849 178.133 177.300 -0.027 0.000 1.178 46 P CA 0.319 63.405 63.100 -0.023 0.000 0.766 46 P CB 0.591 32.280 31.700 -0.019 0.000 0.876 47 R N -0.217 120.270 120.500 -0.022 0.000 2.290 47 R HA 0.120 4.460 4.340 -0.000 0.000 0.197 47 R C 1.246 177.531 176.300 -0.024 0.000 0.913 47 R CA 0.103 56.190 56.100 -0.022 0.000 1.040 47 R CB -0.005 30.285 30.300 -0.017 0.000 0.992 47 R HN 0.064 nan 8.270 nan 0.000 0.500 48 K N 2.750 123.136 120.400 -0.023 0.000 2.447 48 K HA 0.139 4.459 4.320 -0.000 0.000 0.281 48 K C -2.473 174.108 176.600 -0.031 0.000 1.031 48 K CA -1.356 54.917 56.287 -0.024 0.000 1.019 48 K CB -0.856 31.631 32.500 -0.021 0.000 0.918 48 K HN -0.086 nan 8.250 nan 0.000 0.476 49 P HA 0.052 nan 4.420 nan 0.000 0.260 49 P C -0.496 176.780 177.300 -0.040 0.000 1.172 49 P CA 0.315 63.395 63.100 -0.034 0.000 0.760 49 P CB 0.394 32.078 31.700 -0.027 0.000 0.773 50 R N 2.201 122.669 120.500 -0.053 0.000 2.836 50 R HA 0.672 5.012 4.340 -0.000 0.000 0.269 50 R C -0.115 176.139 176.300 -0.076 0.000 1.010 50 R CA -1.004 55.056 56.100 -0.068 0.000 0.930 50 R CB 1.967 32.211 30.300 -0.094 0.000 1.218 50 R HN 0.302 nan 8.270 nan 0.000 0.473 51 A N 2.031 124.805 122.820 -0.077 0.000 2.640 51 A HA 0.328 4.648 4.320 -0.000 0.000 0.282 51 A C 0.098 177.608 177.584 -0.124 0.000 1.357 51 A CA -0.023 51.978 52.037 -0.060 0.000 0.946 51 A CB -0.278 18.714 19.000 -0.013 0.000 1.065 51 A HN 0.442 nan 8.150 nan 0.000 0.541 52 I N 0.474 120.897 120.570 -0.245 0.000 2.474 52 I HA 0.309 4.479 4.170 -0.000 0.000 0.294 52 I C -2.479 173.445 176.117 -0.322 0.000 1.005 52 I CA -2.510 58.481 61.300 -0.514 0.000 1.113 52 I CB 2.075 39.697 38.000 -0.631 0.000 1.289 52 I HN 0.008 nan 8.210 nan 0.000 0.436 53 P HA -0.056 nan 4.420 nan 0.000 0.264 53 P C 0.272 177.483 177.300 -0.149 0.000 1.183 53 P CA 0.066 63.076 63.100 -0.149 0.000 0.763 53 P CB 0.585 32.233 31.700 -0.087 0.000 0.807 54 Q N 4.029 123.769 119.800 -0.100 0.000 2.135 54 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 54 Q C 1.590 177.539 176.000 -0.086 0.000 0.981 54 Q CA 1.883 57.634 55.803 -0.088 0.000 0.856 54 Q CB -0.473 28.229 28.738 -0.061 0.000 0.902 54 Q HN 0.547 nan 8.270 nan 0.000 0.425 55 E N -0.392 119.763 120.200 -0.075 0.000 2.472 55 E HA -0.139 4.211 4.350 -0.000 0.000 0.200 55 E C 1.300 177.846 176.600 -0.090 0.000 1.046 55 E CA 0.705 57.065 56.400 -0.067 0.000 0.871 55 E CB -0.115 29.559 29.700 -0.043 0.000 0.806 55 E HN 0.499 nan 8.360 nan 0.000 0.533 56 L N 0.517 121.668 121.223 -0.120 0.000 2.638 56 L HA 0.248 4.588 4.340 -0.000 0.000 0.232 56 L C 1.011 177.772 176.870 -0.181 0.000 1.099 56 L CA -0.214 54.536 54.840 -0.150 0.000 0.883 56 L CB 0.207 42.168 42.059 -0.163 0.000 1.136 56 L HN 0.009 nan 8.230 nan 0.000 0.492 57 L N 1.883 123.013 121.223 -0.155 0.000 2.455 57 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 57 L C 0.017 176.819 176.870 -0.113 0.000 1.174 57 L CA 0.236 55.000 54.840 -0.127 0.000 0.869 57 L CB 0.068 42.066 42.059 -0.101 0.000 1.130 57 L HN 0.124 nan 8.230 nan 0.000 0.474 58 R N 2.785 123.238 120.500 -0.078 0.000 2.483 58 R HA 0.359 4.699 4.340 -0.000 0.000 0.303 58 R C 0.235 176.557 176.300 0.037 0.000 0.987 58 R CA -0.416 55.662 56.100 -0.036 0.000 0.881 58 R CB 1.751 32.019 30.300 -0.053 0.000 1.177 58 R HN 0.733 nan 8.270 nan 0.000 0.451 59 A N 2.370 125.206 122.820 0.026 0.000 2.178 59 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 59 A C 0.282 177.897 177.584 0.052 0.000 1.157 59 A CA 0.755 52.811 52.037 0.031 0.000 0.780 59 A CB 0.286 19.293 19.000 0.012 0.000 0.828 59 A HN 0.622 nan 8.150 nan 0.000 0.476 60 E N 0.006 120.253 120.200 0.078 0.000 2.288 60 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 60 E C -2.817 173.875 176.600 0.154 0.000 0.885 60 E CA -2.522 53.929 56.400 0.086 0.000 0.767 60 E CB 1.212 30.950 29.700 0.063 0.000 1.220 60 E HN -0.019 nan 8.360 nan 0.000 0.427 61 P HA -0.073 nan 4.420 nan 0.000 0.263 61 P C -1.132 176.247 177.300 0.132 0.000 1.175 61 P CA 0.613 63.744 63.100 0.052 0.000 0.761 61 P CB 0.099 31.787 31.700 -0.021 0.000 0.794 62 F N -0.550 119.400 119.950 0.000 0.000 2.593 62 F HA 0.554 5.081 4.527 -0.000 0.000 0.320 62 F C -0.113 175.687 175.800 0.000 0.000 1.060 62 F CA -1.836 56.166 58.000 0.003 0.000 0.940 62 F CB 0.722 39.728 39.000 0.009 0.000 1.268 62 F HN 0.050 nan 8.300 nan 0.000 0.475 63 D N 1.602 122.091 120.400 0.148 0.000 2.487 63 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 63 D C 0.335 176.654 176.300 0.032 0.000 1.154 63 D CA 0.522 54.551 54.000 0.048 0.000 0.876 63 D CB 0.764 41.614 40.800 0.084 0.000 1.161 63 D HN 0.685 nan 8.370 nan 0.000 0.478 64 L N 3.541 124.708 121.223 -0.092 0.000 2.664 64 L HA 0.118 4.458 4.340 -0.000 0.000 0.233 64 L C 1.939 178.787 176.870 -0.037 0.000 1.113 64 L CA -0.194 54.590 54.840 -0.094 0.000 0.896 64 L CB 0.015 41.950 42.059 -0.207 0.000 1.163 64 L HN 0.430 nan 8.230 nan 0.000 0.497 65 L N 0.181 121.388 121.223 -0.026 0.000 2.551 65 L HA -0.146 4.194 4.340 -0.000 0.000 0.230 65 L C 1.570 178.441 176.870 0.002 0.000 1.163 65 L CA 1.172 56.002 54.840 -0.018 0.000 0.826 65 L CB -0.338 41.713 42.059 -0.013 0.000 0.943 65 L HN 0.381 nan 8.230 nan 0.000 0.452 66 E N -0.036 120.177 120.200 0.022 0.000 2.481 66 E HA 0.220 4.569 4.350 -0.000 0.000 0.198 66 E C 0.703 177.317 176.600 0.024 0.000 1.027 66 E CA -0.240 56.176 56.400 0.028 0.000 0.900 66 E CB 0.548 30.272 29.700 0.041 0.000 0.993 66 E HN 0.373 nan 8.360 nan 0.000 0.482 67 A N 1.170 123.999 122.820 0.016 0.000 2.351 67 A HA 0.088 4.408 4.320 -0.000 0.000 0.257 67 A C 0.529 178.094 177.584 -0.032 0.000 1.087 67 A CA -0.311 51.725 52.037 -0.001 0.000 0.798 67 A CB 0.484 19.483 19.000 -0.002 0.000 1.033 67 A HN -0.022 nan 8.150 nan 0.000 0.488 68 D N -0.014 120.355 120.400 -0.051 0.000 2.271 68 D HA 0.186 4.826 4.640 -0.000 0.000 0.206 68 D C -0.070 176.107 176.300 -0.204 0.000 0.967 68 D CA 1.143 55.106 54.000 -0.062 0.000 0.867 68 D CB 0.207 41.002 40.800 -0.009 0.000 0.960 68 D HN 0.410 nan 8.370 nan 0.000 0.509 69 L N 0.390 121.483 121.223 -0.216 0.000 2.472 69 L HA 0.343 4.683 4.340 -0.000 0.000 0.260 69 L C -1.143 175.625 176.870 -0.169 0.000 0.963 69 L CA -0.766 53.892 54.840 -0.302 0.000 0.829 69 L CB 3.332 45.145 42.059 -0.411 0.000 1.348 69 L HN -0.392 nan 8.230 nan 0.000 0.408 70 V N 3.127 122.945 119.914 -0.161 0.000 2.384 70 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 70 V C -0.300 175.730 176.094 -0.107 0.000 1.020 70 V CA -0.610 61.630 62.300 -0.100 0.000 0.850 70 V CB 2.090 33.846 31.823 -0.112 0.000 0.987 70 V HN 0.403 nan 8.190 nan 0.000 0.436 71 V N 4.548 124.421 119.914 -0.068 0.000 2.384 71 V HA 0.538 4.658 4.120 -0.000 0.000 0.287 71 V C -0.090 175.947 176.094 -0.095 0.000 1.020 71 V CA -0.478 61.736 62.300 -0.144 0.000 0.850 71 V CB 1.693 33.362 31.823 -0.257 0.000 0.987 71 V HN 0.871 nan 8.190 nan 0.000 0.436 72 E N 3.788 123.923 120.200 -0.108 0.000 2.222 72 E HA 0.768 5.118 4.350 -0.000 0.000 0.267 72 E C -0.778 175.781 176.600 -0.067 0.000 0.884 72 E CA -0.679 55.680 56.400 -0.067 0.000 0.764 72 E CB 2.210 31.873 29.700 -0.062 0.000 1.169 72 E HN 0.735 nan 8.360 nan 0.000 0.413 73 A N 5.357 128.154 122.820 -0.037 0.000 3.368 73 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 73 A C 0.326 177.907 177.584 -0.005 0.000 1.004 73 A CA -0.239 51.783 52.037 -0.024 0.000 1.059 73 A CB -0.650 18.337 19.000 -0.022 0.000 1.298 73 A HN 0.634 nan 8.150 nan 0.000 0.613 74 M N -1.215 118.378 119.600 -0.011 0.000 2.371 74 M HA 0.503 4.983 4.480 -0.000 0.000 0.246 74 M C 0.900 177.196 176.300 -0.008 0.000 1.103 74 M CA 0.601 55.899 55.300 -0.003 0.000 1.010 74 M CB 0.031 32.630 32.600 -0.003 0.000 1.457 74 M HN 1.303 nan 8.290 nan 0.000 0.486 75 G N 1.073 109.863 108.800 -0.017 0.000 2.888 75 G HA2 0.211 4.171 3.960 -0.000 0.000 0.441 75 G HA3 0.211 4.171 3.960 -0.000 0.000 0.441 75 G C 0.074 174.959 174.900 -0.025 0.000 1.461 75 G CA -0.090 44.999 45.100 -0.018 0.000 0.897 75 G HN 1.553 nan 8.290 nan 0.000 0.547 76 G N -2.662 106.121 108.800 -0.027 0.000 2.814 76 G HA2 0.219 4.179 3.960 -0.000 0.000 0.677 76 G HA3 0.219 4.179 3.960 -0.000 0.000 0.677 76 G C 0.705 175.574 174.900 -0.052 0.000 1.429 76 G CA 0.424 45.508 45.100 -0.028 0.000 0.868 76 G HN 1.937 nan 8.290 nan 0.000 0.553 77 V N -0.326 119.560 119.914 -0.047 0.000 2.870 77 V HA 0.191 4.311 4.120 -0.000 0.000 0.232 77 V C 2.371 178.442 176.094 -0.038 0.000 1.161 77 V CA 1.914 64.180 62.300 -0.058 0.000 1.204 77 V CB -0.259 31.525 31.823 -0.065 0.000 1.003 77 V HN 0.877 nan 8.190 nan 0.000 0.499 78 E N 1.389 121.575 120.200 -0.023 0.000 2.058 78 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 78 E C 2.082 178.669 176.600 -0.022 0.000 0.997 78 E CA 2.009 58.399 56.400 -0.017 0.000 0.801 78 E CB -0.525 29.171 29.700 -0.007 0.000 0.746 78 E HN 0.488 nan 8.360 nan 0.000 0.450 79 A N 0.616 123.422 122.820 -0.022 0.000 1.858 79 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 79 A C -0.173 177.387 177.584 -0.040 0.000 1.190 79 A CA 1.757 53.778 52.037 -0.027 0.000 0.617 79 A CB -1.703 17.285 19.000 -0.020 0.000 0.827 79 A HN 0.303 nan 8.150 nan 0.000 0.443 80 P HA -0.134 nan 4.420 nan 0.000 0.216 80 P C 1.663 178.925 177.300 -0.063 0.000 1.150 80 P CA 0.870 63.937 63.100 -0.055 0.000 0.837 80 P CB -0.078 31.591 31.700 -0.052 0.000 0.786 81 L N 0.219 121.411 121.223 -0.051 0.000 1.989 81 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 81 L C 2.222 179.058 176.870 -0.057 0.000 1.071 81 L CA 1.966 56.778 54.840 -0.047 0.000 0.749 81 L CB -1.029 41.015 42.059 -0.026 0.000 0.890 81 L HN -0.181 nan 8.230 nan 0.000 0.431 82 R N -0.821 119.650 120.500 -0.048 0.000 2.152 82 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 82 R C 2.206 178.461 176.300 -0.075 0.000 1.117 82 R CA 1.486 57.556 56.100 -0.051 0.000 0.981 82 R CB -0.452 29.826 30.300 -0.037 0.000 0.870 82 R HN 0.431 nan 8.270 nan 0.000 0.451 83 L N 0.225 121.395 121.223 -0.087 0.000 2.162 83 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 83 L C 2.433 179.216 176.870 -0.144 0.000 1.086 83 L CA 0.625 55.394 54.840 -0.119 0.000 0.778 83 L CB -0.329 41.657 42.059 -0.123 0.000 0.928 83 L HN 0.086 nan 8.230 nan 0.000 0.446 84 V N -3.304 116.528 119.914 -0.137 0.000 2.788 84 V HA -0.093 4.027 4.120 -0.000 0.000 0.251 84 V C 2.217 178.179 176.094 -0.220 0.000 1.068 84 V CA 0.692 62.892 62.300 -0.166 0.000 1.090 84 V CB -0.472 31.263 31.823 -0.146 0.000 0.710 84 V HN 0.281 nan 8.190 nan 0.000 0.467 85 L N 0.192 121.294 121.223 -0.203 0.000 2.013 85 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 85 L C 0.333 177.049 176.870 -0.256 0.000 1.073 85 L CA 2.305 56.989 54.840 -0.260 0.000 0.753 85 L CB -1.866 40.117 42.059 -0.128 0.000 0.890 85 L HN 0.354 nan 8.230 nan 0.000 0.432 86 P HA -0.180 nan 4.420 nan 0.000 0.216 86 P C 1.385 178.596 177.300 -0.147 0.000 1.150 86 P CA 1.804 64.828 63.100 -0.128 0.000 0.837 86 P CB 0.003 31.643 31.700 -0.101 0.000 0.786 87 A N -0.743 121.971 122.820 -0.178 0.000 1.872 87 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 87 A C 2.194 179.656 177.584 -0.204 0.000 1.187 87 A CA 1.253 53.192 52.037 -0.163 0.000 0.614 87 A CB -1.604 17.300 19.000 -0.160 0.000 0.826 87 A HN 0.088 nan 8.150 nan 0.000 0.442 88 L N -0.614 120.396 121.223 -0.355 0.000 2.079 88 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 88 L C 2.513 179.139 176.870 -0.407 0.000 1.081 88 L CA 1.650 56.169 54.840 -0.536 0.000 0.752 88 L CB -0.540 40.824 42.059 -1.158 0.000 0.896 88 L HN 0.474 nan 8.230 nan 0.000 0.433 89 E N -0.096 119.909 120.200 -0.324 0.000 2.204 89 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 89 E C 2.010 178.628 176.600 0.030 0.000 0.989 89 E CA 0.950 57.356 56.400 0.010 0.000 0.824 89 E CB -0.080 29.631 29.700 0.019 0.000 0.756 89 E HN 0.481 nan 8.360 nan 0.000 0.477 90 A N 0.022 122.824 122.820 -0.030 0.000 2.238 90 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 90 A C 1.626 179.217 177.584 0.011 0.000 1.177 90 A CA 0.718 52.751 52.037 -0.007 0.000 0.804 90 A CB -0.227 18.758 19.000 -0.026 0.000 0.823 90 A HN 0.307 nan 8.150 nan 0.000 0.482 91 G N -0.801 108.011 108.800 0.020 0.000 2.132 91 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.234 91 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.234 91 G C 0.012 174.931 174.900 0.031 0.000 0.989 91 G CA 0.204 45.334 45.100 0.051 0.000 0.676 91 G HN 0.470 nan 8.290 nan 0.000 0.522 92 I N 1.522 122.080 120.570 -0.021 0.000 2.342 92 I HA 0.296 4.465 4.170 -0.000 0.000 0.291 92 I C -1.837 174.241 176.117 -0.066 0.000 1.010 92 I CA -2.375 58.896 61.300 -0.050 0.000 1.308 92 I CB 1.446 39.399 38.000 -0.079 0.000 1.400 92 I HN -0.129 nan 8.210 nan 0.000 0.488 93 P HA 0.123 nan 4.420 nan 0.000 0.272 93 P C -0.989 176.259 177.300 -0.087 0.000 1.223 93 P CA -0.330 62.751 63.100 -0.031 0.000 0.784 93 P CB 0.672 32.323 31.700 -0.081 0.000 0.923 94 L N 3.427 124.661 121.223 0.017 0.000 2.349 94 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 94 L C -1.196 175.719 176.870 0.075 0.000 0.996 94 L CA -0.223 54.610 54.840 -0.012 0.000 0.825 94 L CB 0.705 42.751 42.059 -0.022 0.000 1.243 94 L HN 0.228 nan 8.230 nan 0.000 0.412 95 I N 4.679 125.235 120.570 -0.024 0.000 2.330 95 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 95 I C -0.058 176.040 176.117 -0.031 0.000 1.001 95 I CA -0.225 61.078 61.300 0.005 0.000 1.193 95 I CB 1.696 39.612 38.000 -0.140 0.000 1.345 95 I HN 0.656 nan 8.210 nan 0.000 0.461 96 T N 3.693 118.272 114.554 0.042 0.000 2.896 96 T HA 0.673 5.023 4.350 -0.000 0.000 0.297 96 T C 0.057 174.771 174.700 0.024 0.000 1.108 96 T CA -0.221 61.878 62.100 -0.002 0.000 1.004 96 T CB 1.896 70.759 68.868 -0.009 0.000 1.159 96 T HN 0.593 nan 8.240 nan 0.000 0.499 97 A N 2.705 125.518 122.820 -0.012 0.000 2.508 97 A HA 0.356 4.676 4.320 -0.000 0.000 0.257 97 A C 0.783 178.359 177.584 -0.013 0.000 1.226 97 A CA -0.241 51.797 52.037 0.002 0.000 0.947 97 A CB -0.160 18.838 19.000 -0.003 0.000 1.079 97 A HN 0.638 nan 8.150 nan 0.000 0.531 98 N N 1.894 120.572 118.700 -0.037 0.000 2.605 98 N HA 0.018 4.758 4.740 -0.000 0.000 0.258 98 N C 1.154 176.594 175.510 -0.117 0.000 1.156 98 N CA 0.010 53.018 53.050 -0.069 0.000 1.008 98 N CB 0.572 39.014 38.487 -0.075 0.000 1.354 98 N HN 0.436 nan 8.380 nan 0.000 0.509 99 K N 1.680 122.015 120.400 -0.109 0.000 2.209 99 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 99 K C 1.373 177.740 176.600 -0.388 0.000 1.048 99 K CA 0.899 57.089 56.287 -0.162 0.000 0.940 99 K CB -0.408 32.062 32.500 -0.051 0.000 0.729 99 K HN 0.306 nan 8.250 nan 0.000 0.451 100 A N 2.199 124.741 122.820 -0.463 0.000 1.873 100 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 100 A C 2.287 179.560 177.584 -0.519 0.000 1.186 100 A CA 1.218 52.754 52.037 -0.836 0.000 0.616 100 A CB -0.599 18.125 19.000 -0.461 0.000 0.823 100 A HN 0.274 nan 8.150 nan 0.000 0.442 101 L N -0.021 121.031 121.223 -0.285 0.000 2.012 101 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 101 L C 2.241 179.027 176.870 -0.141 0.000 1.073 101 L CA 1.932 56.670 54.840 -0.171 0.000 0.748 101 L CB -0.566 41.427 42.059 -0.111 0.000 0.891 101 L HN 0.391 nan 8.230 nan 0.000 0.431 102 L N -0.643 120.476 121.223 -0.174 0.000 2.093 102 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 102 L C 2.667 179.429 176.870 -0.180 0.000 1.085 102 L CA 1.069 55.831 54.840 -0.131 0.000 0.755 102 L CB -0.929 40.956 42.059 -0.290 0.000 0.904 102 L HN 0.394 nan 8.230 nan 0.000 0.435 103 A N -0.207 122.422 122.820 -0.319 0.000 1.929 103 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 103 A C 2.099 179.547 177.584 -0.226 0.000 1.176 103 A CA 1.337 53.176 52.037 -0.330 0.000 0.628 103 A CB -0.220 18.490 19.000 -0.483 0.000 0.816 103 A HN 0.452 nan 8.150 nan 0.000 0.444 104 E N -1.091 118.943 120.200 -0.276 0.000 2.452 104 E HA 0.260 4.610 4.350 -0.000 0.000 0.197 104 E C 0.824 177.441 176.600 0.028 0.000 1.022 104 E CA 0.479 56.813 56.400 -0.110 0.000 0.890 104 E CB 0.251 29.843 29.700 -0.180 0.000 0.918 104 E HN 0.490 nan 8.360 nan 0.000 0.496 105 A N 0.525 123.374 122.820 0.049 0.000 2.701 105 A HA 0.087 4.407 4.320 -0.000 0.000 0.297 105 A C 0.874 178.579 177.584 0.202 0.000 1.197 105 A CA -0.686 51.408 52.037 0.095 0.000 0.963 105 A CB -0.802 18.223 19.000 0.043 0.000 1.175 105 A HN 0.414 nan 8.150 nan 0.000 0.531 106 W N 0.741 122.032 121.300 -0.015 0.000 2.374 106 W HA -0.218 4.442 4.660 -0.000 0.000 0.288 106 W C 1.668 178.194 176.519 0.012 0.000 1.218 106 W CA 1.803 59.148 57.345 -0.000 0.000 1.245 106 W CB 0.264 29.735 29.460 0.018 0.000 1.126 106 W HN 0.690 nan 8.180 nan 0.000 0.545 107 E N 0.492 120.756 120.200 0.105 0.000 2.118 107 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 107 E C 1.893 178.446 176.600 -0.078 0.000 0.992 107 E CA 2.469 58.856 56.400 -0.021 0.000 0.804 107 E CB -0.585 29.133 29.700 0.029 0.000 0.741 107 E HN -0.010 nan 8.360 nan 0.000 0.458 108 S N -0.749 114.942 115.700 -0.015 0.000 2.439 108 S HA 0.167 4.637 4.470 -0.000 0.000 0.224 108 S C 1.722 176.357 174.600 0.058 0.000 1.029 108 S CA 0.510 58.721 58.200 0.018 0.000 0.946 108 S CB 0.054 63.288 63.200 0.057 0.000 0.797 108 S HN 0.239 nan 8.310 nan 0.000 0.504 109 L N 0.864 122.093 121.223 0.009 0.000 2.354 109 L HA 0.236 4.575 4.340 -0.000 0.000 0.212 109 L C 2.472 179.165 176.870 -0.295 0.000 1.091 109 L CA 0.278 55.154 54.840 0.059 0.000 0.828 109 L CB -0.320 41.828 42.059 0.148 0.000 0.973 109 L HN 0.178 nan 8.230 nan 0.000 0.461 110 R N 1.114 121.068 120.500 -0.910 0.000 2.113 110 R HA -0.204 4.136 4.340 -0.000 0.000 0.244 110 R C -0.486 175.415 176.300 -0.665 0.000 1.142 110 R CA 2.100 57.368 56.100 -1.385 0.000 0.953 110 R CB -1.182 28.176 30.300 -1.571 0.000 0.860 110 R HN 0.183 nan 8.270 nan 0.000 0.438 111 P HA -0.176 nan 4.420 nan 0.000 0.216 111 P C 0.654 177.625 177.300 -0.549 0.000 1.154 111 P CA 1.663 64.414 63.100 -0.581 0.000 0.865 111 P CB -0.120 31.124 31.700 -0.761 0.000 0.789 112 F N -0.874 118.981 119.950 -0.159 0.000 2.293 112 F HA 0.045 4.572 4.527 -0.000 0.000 0.297 112 F C 2.451 178.213 175.800 -0.063 0.000 1.089 112 F CA 0.799 58.746 58.000 -0.088 0.000 1.377 112 F CB -1.233 37.729 39.000 -0.063 0.000 1.051 112 F HN -0.135 nan 8.300 nan 0.000 0.511 113 A N 0.041 122.894 122.820 0.055 0.000 1.930 113 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 113 A C 2.122 179.736 177.584 0.049 0.000 1.175 113 A CA 1.304 53.403 52.037 0.102 0.000 0.627 113 A CB -0.459 18.658 19.000 0.195 0.000 0.815 113 A HN 0.214 nan 8.150 nan 0.000 0.443 114 E N 0.445 120.614 120.200 -0.052 0.000 2.265 114 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 114 E C 1.218 177.799 176.600 -0.031 0.000 0.996 114 E CA 1.337 57.709 56.400 -0.047 0.000 0.832 114 E CB -0.228 29.402 29.700 -0.116 0.000 0.756 114 E HN 0.975 nan 8.360 nan 0.000 0.491 115 E N -0.579 119.607 120.200 -0.024 0.000 2.437 115 E HA 0.282 4.632 4.350 -0.000 0.000 0.195 115 E C 0.690 177.303 176.600 0.023 0.000 1.029 115 E CA 0.311 56.710 56.400 -0.002 0.000 0.948 115 E CB 0.144 29.844 29.700 -0.000 0.000 1.082 115 E HN 0.071 nan 8.360 nan 0.000 0.456 116 G N 1.699 110.504 108.800 0.009 0.000 2.198 116 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 116 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 116 G C 0.591 175.476 174.900 -0.025 0.000 1.025 116 G CA 0.536 45.613 45.100 -0.039 0.000 0.769 116 G HN 0.409 nan 8.290 nan 0.000 0.507 117 L N -0.824 120.440 121.223 0.069 0.000 2.567 117 L HA 0.408 4.748 4.340 -0.000 0.000 0.225 117 L C 1.162 178.137 176.870 0.175 0.000 1.119 117 L CA 0.275 55.203 54.840 0.146 0.000 0.871 117 L CB 0.191 42.354 42.059 0.173 0.000 1.036 117 L HN 0.288 nan 8.230 nan 0.000 0.459 118 I N -0.620 120.025 120.570 0.126 0.000 2.362 118 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 118 I C -1.098 175.173 176.117 0.258 0.000 0.994 118 I CA -0.639 60.798 61.300 0.229 0.000 1.158 118 I CB 1.165 39.307 38.000 0.237 0.000 1.315 118 I HN -0.136 nan 8.210 nan 0.000 0.451 119 Y N 4.369 124.833 120.300 0.274 0.000 2.331 119 Y HA 0.346 4.896 4.550 -0.000 0.000 0.338 119 Y C 0.358 176.472 175.900 0.356 0.000 0.976 119 Y CA -0.852 57.471 58.100 0.370 0.000 1.137 119 Y CB 0.795 39.362 38.460 0.178 0.000 1.172 119 Y HN 0.570 nan 8.280 nan 0.000 0.478 120 H N -0.848 118.373 119.070 0.251 0.000 2.901 120 H HA 0.325 4.881 4.556 -0.000 0.000 0.227 120 H C 0.804 176.022 175.328 -0.184 0.000 1.390 120 H CA -0.330 55.716 56.048 -0.002 0.000 1.120 120 H CB 0.353 30.102 29.762 -0.021 0.000 2.131 120 H HN 0.479 nan 8.280 nan 0.000 0.549 121 E N 2.054 122.119 120.200 -0.224 0.000 2.118 121 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 121 E C 2.109 178.671 176.600 -0.063 0.000 0.992 121 E CA 1.673 57.941 56.400 -0.220 0.000 0.804 121 E CB -0.268 29.439 29.700 0.012 0.000 0.741 121 E HN 0.656 nan 8.360 nan 0.000 0.458 122 A N 0.125 122.953 122.820 0.013 0.000 2.172 122 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 122 A C 2.173 179.772 177.584 0.025 0.000 1.154 122 A CA 1.471 53.527 52.037 0.031 0.000 0.701 122 A CB -0.781 18.245 19.000 0.043 0.000 0.789 122 A HN 0.378 nan 8.150 nan 0.000 0.465 123 S N -1.358 114.362 115.700 0.033 0.000 2.522 123 S HA 0.189 4.659 4.470 -0.000 0.000 0.227 123 S C 0.305 174.920 174.600 0.025 0.000 0.986 123 S CA 0.555 58.780 58.200 0.041 0.000 0.929 123 S CB -0.245 63.013 63.200 0.097 0.000 0.769 123 S HN 0.210 nan 8.310 nan 0.000 0.529 124 V N 1.828 121.745 119.914 0.005 0.000 2.524 124 V HA 0.431 4.551 4.120 -0.000 0.000 0.297 124 V C -0.140 175.952 176.094 -0.003 0.000 1.035 124 V CA -0.775 61.526 62.300 0.001 0.000 0.867 124 V CB 1.004 32.819 31.823 -0.013 0.000 1.004 124 V HN 0.492 nan 8.190 nan 0.000 0.426 125 M N 2.793 122.394 119.600 0.003 0.000 2.461 125 M HA -0.290 4.190 4.480 -0.000 0.000 0.203 125 M C 1.016 177.321 176.300 0.008 0.000 0.428 125 M CA 0.922 56.221 55.300 -0.002 0.000 0.509 125 M CB -1.372 31.221 32.600 -0.011 0.000 1.851 125 M HN 1.549 nan 8.290 nan 0.000 0.834 126 A N -0.803 122.028 122.820 0.018 0.000 5.476 126 A HA -0.280 4.040 4.320 -0.000 0.000 0.327 126 A C 1.330 178.939 177.584 0.042 0.000 1.778 126 A CA 2.030 54.088 52.037 0.034 0.000 0.721 126 A CB -1.871 17.153 19.000 0.040 0.000 1.388 126 A HN 1.390 nan 8.150 nan 0.000 0.397 127 G N -1.183 107.652 108.800 0.058 0.000 2.848 127 G HA2 0.362 4.322 3.960 -0.000 0.000 0.208 127 G HA3 0.362 4.322 3.960 -0.000 0.000 0.208 127 G C 0.616 175.552 174.900 0.060 0.000 1.152 127 G CA 1.406 46.550 45.100 0.073 0.000 0.789 127 G HN 1.096 nan 8.290 nan 0.000 0.531 128 T N 2.470 117.047 114.554 0.038 0.000 2.901 128 T HA 0.297 4.647 4.350 -0.000 0.000 0.301 128 T C -2.405 172.311 174.700 0.027 0.000 1.012 128 T CA -0.602 61.514 62.100 0.026 0.000 1.135 128 T CB 1.531 70.402 68.868 0.005 0.000 0.936 128 T HN -0.109 nan 8.240 nan 0.000 0.539 129 P HA 0.239 nan 4.420 nan 0.000 0.259 129 P C -0.102 177.237 177.300 0.065 0.000 1.635 129 P CA -0.031 63.110 63.100 0.068 0.000 1.199 129 P CB -0.031 31.728 31.700 0.098 0.000 1.850 130 A N 2.935 125.779 122.820 0.038 0.000 1.920 130 A HA 0.044 4.364 4.320 -0.000 0.000 0.209 130 A C 1.811 179.454 177.584 0.099 0.000 1.229 130 A CA 0.630 52.691 52.037 0.038 0.000 0.671 130 A CB -0.774 18.220 19.000 -0.010 0.000 0.886 130 A HN 0.316 nan 8.150 nan 0.000 0.461 131 L N 0.822 122.048 121.223 0.005 0.000 2.072 131 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 131 L C 2.935 179.858 176.870 0.089 0.000 1.079 131 L CA 1.693 56.514 54.840 -0.032 0.000 0.752 131 L CB -0.618 41.249 42.059 -0.320 0.000 0.906 131 L HN 0.581 nan 8.230 nan 0.000 0.436 132 S N -0.148 115.631 115.700 0.132 0.000 2.423 132 S HA -0.221 4.249 4.470 -0.000 0.000 0.231 132 S C 1.906 176.583 174.600 0.129 0.000 1.014 132 S CA 0.806 59.088 58.200 0.137 0.000 0.965 132 S CB -0.838 62.443 63.200 0.136 0.000 0.785 132 S HN 0.392 nan 8.310 nan 0.000 0.495 133 F N 2.505 122.461 119.950 0.010 0.000 2.102 133 F HA 0.098 4.625 4.527 0.000 0.000 0.298 133 F C 1.915 177.708 175.800 -0.012 0.000 1.105 133 F CA 1.267 59.267 58.000 0.000 0.000 1.239 133 F CB -0.307 38.698 39.000 0.008 0.000 0.991 133 F HN 0.124 nan 8.300 nan 0.000 0.474 134 L N -0.056 121.217 121.223 0.084 0.000 2.156 134 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 134 L C 2.298 179.114 176.870 -0.089 0.000 1.095 134 L CA 1.190 55.998 54.840 -0.053 0.000 0.770 134 L CB -0.757 41.318 42.059 0.028 0.000 0.914 134 L HN 0.207 nan 8.230 nan 0.000 0.439 135 E N -0.232 119.949 120.200 -0.032 0.000 2.085 135 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 135 E C 2.029 178.584 176.600 -0.075 0.000 0.994 135 E CA 1.787 58.168 56.400 -0.032 0.000 0.801 135 E CB -0.091 29.613 29.700 0.008 0.000 0.743 135 E HN 0.421 nan 8.360 nan 0.000 0.453 136 T N 1.423 115.910 114.554 -0.111 0.000 2.904 136 T HA -0.037 4.312 4.350 -0.000 0.000 0.267 136 T C 1.601 176.187 174.700 -0.190 0.000 1.059 136 T CA 0.356 62.374 62.100 -0.138 0.000 1.137 136 T CB 0.061 68.839 68.868 -0.149 0.000 0.879 136 T HN 0.048 nan 8.240 nan 0.000 0.467 137 L N 1.201 122.260 121.223 -0.273 0.000 2.456 137 L HA 0.099 4.439 4.340 -0.000 0.000 0.224 137 L C 2.293 179.069 176.870 -0.158 0.000 1.148 137 L CA 1.199 55.875 54.840 -0.273 0.000 0.825 137 L CB -0.799 41.042 42.059 -0.364 0.000 0.937 137 L HN 0.257 nan 8.230 nan 0.000 0.450 138 R N -0.599 119.830 120.500 -0.119 0.000 2.241 138 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 138 R C 2.149 178.411 176.300 -0.063 0.000 1.101 138 R CA 0.903 56.957 56.100 -0.077 0.000 0.995 138 R CB -0.355 29.911 30.300 -0.057 0.000 0.870 138 R HN 0.400 nan 8.270 nan 0.000 0.463 139 G N -0.360 108.395 108.800 -0.075 0.000 2.498 139 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 139 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 139 G C 0.389 175.259 174.900 -0.051 0.000 1.119 139 G CA 0.419 45.484 45.100 -0.059 0.000 0.766 139 G HN 0.156 nan 8.290 nan 0.000 0.552 140 S N -0.883 114.781 115.700 -0.061 0.000 2.759 140 S HA 0.508 4.978 4.470 -0.000 0.000 0.310 140 S C -0.825 173.759 174.600 -0.026 0.000 1.123 140 S CA -0.690 57.483 58.200 -0.044 0.000 0.959 140 S CB 1.872 65.036 63.200 -0.060 0.000 1.172 140 S HN 0.325 nan 8.310 nan 0.000 0.539 141 E N 1.157 121.356 120.200 -0.001 0.000 2.133 141 E HA 0.325 4.675 4.350 -0.000 0.000 0.274 141 E C -1.066 175.569 176.600 0.057 0.000 0.930 141 E CA -0.720 55.702 56.400 0.037 0.000 0.770 141 E CB 1.372 31.105 29.700 0.054 0.000 1.104 141 E HN 0.269 nan 8.360 nan 0.000 0.403 142 L N 4.051 125.321 121.223 0.077 0.000 2.540 142 L HA -0.054 4.286 4.340 -0.000 0.000 0.276 142 L C 0.086 177.102 176.870 0.244 0.000 1.212 142 L CA 0.897 55.800 54.840 0.106 0.000 0.893 142 L CB 0.245 42.315 42.059 0.018 0.000 1.138 142 L HN 0.742 nan 8.230 nan 0.000 0.491 143 L N 3.251 124.580 121.223 0.176 0.000 2.433 143 L HA 0.304 4.644 4.340 -0.000 0.000 0.200 143 L C 0.128 177.150 176.870 0.254 0.000 1.059 143 L CA 0.195 55.145 54.840 0.184 0.000 0.835 143 L CB 0.067 42.185 42.059 0.099 0.000 1.076 143 L HN 0.809 nan 8.230 nan 0.000 0.481 144 E N -0.156 120.168 120.200 0.206 0.000 2.380 144 E HA 0.509 4.859 4.350 -0.000 0.000 0.281 144 E C -1.380 175.278 176.600 0.097 0.000 0.999 144 E CA -0.698 55.826 56.400 0.206 0.000 0.800 144 E CB 2.301 32.154 29.700 0.255 0.000 1.228 144 E HN -0.016 nan 8.360 nan 0.000 0.436 145 L N 2.202 123.389 121.223 -0.061 0.000 2.408 145 L HA 0.605 4.945 4.340 -0.000 0.000 0.268 145 L C -1.671 175.073 176.870 -0.209 0.000 0.986 145 L CA -0.501 54.328 54.840 -0.017 0.000 0.820 145 L CB 1.786 43.829 42.059 -0.026 0.000 1.303 145 L HN 0.697 nan 8.230 nan 0.000 0.411 146 H N 3.282 122.623 119.070 0.452 0.000 2.954 146 H HA 0.704 5.260 4.556 -0.000 0.000 0.361 146 H C -0.766 174.752 175.328 0.318 0.000 1.122 146 H CA -0.555 55.736 56.048 0.404 0.000 1.217 146 H CB 2.273 32.365 29.762 0.551 0.000 1.776 146 H HN 0.839 nan 8.280 nan 0.000 0.533 147 G N 1.480 110.462 108.800 0.303 0.000 2.696 147 G HA2 0.503 4.463 3.960 -0.000 0.000 0.295 147 G HA3 0.503 4.463 3.960 -0.000 0.000 0.295 147 G C -0.761 174.195 174.900 0.094 0.000 1.398 147 G CA -0.902 44.305 45.100 0.179 0.000 0.920 147 G HN 0.584 nan 8.290 nan 0.000 0.492 148 I N 0.460 121.053 120.570 0.038 0.000 2.412 148 I HA 0.408 4.578 4.170 -0.000 0.000 0.279 148 I C 0.011 176.130 176.117 0.003 0.000 1.063 148 I CA -0.777 60.521 61.300 -0.003 0.000 1.193 148 I CB 0.941 38.911 38.000 -0.050 0.000 1.370 148 I HN 0.310 nan 8.210 nan 0.000 0.479 149 L N 3.390 124.622 121.223 0.016 0.000 2.529 149 L HA 0.233 4.573 4.340 -0.000 0.000 0.223 149 L C 0.984 177.856 176.870 0.003 0.000 1.113 149 L CA 0.250 55.097 54.840 0.013 0.000 0.861 149 L CB -0.350 41.727 42.059 0.030 0.000 1.012 149 L HN 0.691 nan 8.230 nan 0.000 0.461 150 N N 0.617 119.316 118.700 -0.001 0.000 2.419 150 N HA 0.120 4.860 4.740 -0.000 0.000 0.277 150 N C 0.853 176.345 175.510 -0.030 0.000 1.006 150 N CA 0.167 53.215 53.050 -0.004 0.000 0.923 150 N CB 2.270 40.763 38.487 0.009 0.000 1.140 150 N HN 0.028 nan 8.380 nan 0.000 0.488 151 G N 2.139 110.908 108.800 -0.052 0.000 2.408 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 151 G C 1.161 176.006 174.900 -0.092 0.000 1.150 151 G CA 1.040 46.061 45.100 -0.133 0.000 0.776 151 G HN 0.605 nan 8.290 nan 0.000 0.542 152 T N 1.289 115.841 114.554 -0.004 0.000 2.701 152 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 152 T C 2.854 177.590 174.700 0.059 0.000 1.040 152 T CA 2.272 64.410 62.100 0.063 0.000 1.147 152 T CB -0.734 68.170 68.868 0.059 0.000 0.865 152 T HN 0.552 nan 8.240 nan 0.000 0.426 153 T N 1.286 115.851 114.554 0.019 0.000 2.833 153 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 153 T C 1.956 176.649 174.700 -0.012 0.000 1.054 153 T CA 0.888 62.988 62.100 -0.001 0.000 1.135 153 T CB -0.589 68.282 68.868 0.005 0.000 0.869 153 T HN 0.167 nan 8.240 nan 0.000 0.466 154 L N 0.058 121.273 121.223 -0.012 0.000 2.005 154 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 154 L C 2.369 179.229 176.870 -0.017 0.000 1.072 154 L CA 1.605 56.425 54.840 -0.032 0.000 0.744 154 L CB -1.164 40.865 42.059 -0.049 0.000 0.895 154 L HN 0.308 nan 8.230 nan 0.000 0.433 155 Y N 0.146 120.388 120.300 -0.096 0.000 2.128 155 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 155 Y C 2.361 178.235 175.900 -0.043 0.000 1.154 155 Y CA 2.285 60.355 58.100 -0.050 0.000 1.149 155 Y CB -0.332 38.143 38.460 0.025 0.000 0.976 155 Y HN 0.238 nan 8.280 nan 0.000 0.505 156 I N -0.283 120.279 120.570 -0.013 0.000 2.208 156 I HA -0.362 3.808 4.170 -0.000 0.000 0.245 156 I C 2.320 178.331 176.117 -0.175 0.000 1.097 156 I CA 1.489 62.700 61.300 -0.148 0.000 1.363 156 I CB -0.491 37.387 38.000 -0.204 0.000 1.051 156 I HN 0.284 nan 8.210 nan 0.000 0.413 157 L N -0.141 121.009 121.223 -0.122 0.000 2.093 157 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 157 L C 2.628 179.420 176.870 -0.131 0.000 1.085 157 L CA 1.324 56.103 54.840 -0.101 0.000 0.755 157 L CB -0.588 41.424 42.059 -0.077 0.000 0.904 157 L HN 0.313 nan 8.230 nan 0.000 0.435 158 Q N -0.392 119.306 119.800 -0.170 0.000 2.084 158 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 158 Q C 2.179 178.050 176.000 -0.215 0.000 0.978 158 Q CA 1.187 56.882 55.803 -0.180 0.000 0.844 158 Q CB 0.030 28.656 28.738 -0.187 0.000 0.898 158 Q HN 0.382 nan 8.270 nan 0.000 0.426 159 E N 0.360 120.364 120.200 -0.327 0.000 2.106 159 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 159 E C 1.920 178.424 176.600 -0.159 0.000 0.984 159 E CA 0.971 57.195 56.400 -0.293 0.000 0.806 159 E CB -0.104 29.342 29.700 -0.423 0.000 0.750 159 E HN 0.449 nan 8.360 nan 0.000 0.458 160 M N 0.398 119.920 119.600 -0.131 0.000 2.296 160 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 160 M C 1.803 178.068 176.300 -0.059 0.000 1.064 160 M CA 1.139 56.398 55.300 -0.067 0.000 1.109 160 M CB -0.339 32.241 32.600 -0.033 0.000 1.396 160 M HN 0.068 nan 8.290 nan 0.000 0.430 161 E N 0.672 120.826 120.200 -0.077 0.000 2.204 161 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 161 E C 1.369 177.935 176.600 -0.057 0.000 0.989 161 E CA 0.849 57.211 56.400 -0.064 0.000 0.824 161 E CB -0.062 29.594 29.700 -0.074 0.000 0.756 161 E HN 0.546 nan 8.360 nan 0.000 0.477 162 K N -0.485 119.875 120.400 -0.066 0.000 2.444 162 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 162 K C 1.035 177.611 176.600 -0.040 0.000 1.024 162 K CA 0.474 56.729 56.287 -0.053 0.000 1.077 162 K CB 0.834 33.296 32.500 -0.063 0.000 0.833 162 K HN 0.220 nan 8.250 nan 0.000 0.517 163 G N 1.541 110.319 108.800 -0.037 0.000 2.213 163 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.226 163 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.226 163 G C -0.037 174.852 174.900 -0.018 0.000 0.992 163 G CA -0.536 44.550 45.100 -0.023 0.000 0.632 163 G HN 0.073 nan 8.290 nan 0.000 0.511 164 R N 1.772 122.254 120.500 -0.029 0.000 2.643 164 R HA 0.449 4.789 4.340 -0.000 0.000 0.270 164 R C 1.118 177.417 176.300 -0.002 0.000 1.061 164 R CA 0.588 56.676 56.100 -0.020 0.000 1.107 164 R CB -0.007 30.267 30.300 -0.043 0.000 0.999 164 R HN 0.613 nan 8.270 nan 0.000 0.460 165 T N -1.615 112.953 114.554 0.023 0.000 2.849 165 T HA 0.034 4.384 4.350 -0.000 0.000 0.284 165 T C 1.363 176.120 174.700 0.094 0.000 1.004 165 T CA -0.550 61.587 62.100 0.062 0.000 1.021 165 T CB 0.506 69.415 68.868 0.069 0.000 1.013 165 T HN 0.589 nan 8.240 nan 0.000 0.527 166 Y N 1.842 122.142 120.300 0.000 0.000 2.081 166 Y HA -0.130 4.420 4.550 -0.000 0.000 0.280 166 Y C 2.708 178.623 175.900 0.026 0.000 1.163 166 Y CA 2.362 60.468 58.100 0.010 0.000 1.135 166 Y CB -0.922 37.543 38.460 0.008 0.000 0.970 166 Y HN 0.838 nan 8.280 nan 0.000 0.498 167 A N 0.233 123.230 122.820 0.295 0.000 1.877 167 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 167 A C 2.023 179.660 177.584 0.088 0.000 1.186 167 A CA 2.001 54.154 52.037 0.192 0.000 0.620 167 A CB -0.803 18.287 19.000 0.150 0.000 0.822 167 A HN 0.671 nan 8.150 nan 0.000 0.443 168 E N -0.162 120.079 120.200 0.069 0.000 2.077 168 E HA -0.117 4.232 4.350 -0.000 0.000 0.193 168 E C 2.318 178.951 176.600 0.055 0.000 0.989 168 E CA 0.996 57.426 56.400 0.050 0.000 0.800 168 E CB -0.325 29.398 29.700 0.038 0.000 0.746 168 E HN 0.622 nan 8.360 nan 0.000 0.452 169 A N 1.410 124.248 122.820 0.030 0.000 1.877 169 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 169 A C 2.182 179.837 177.584 0.119 0.000 1.186 169 A CA 1.085 53.154 52.037 0.053 0.000 0.620 169 A CB -0.600 18.348 19.000 -0.088 0.000 0.822 169 A HN 0.212 nan 8.150 nan 0.000 0.443 170 L N -0.053 121.155 121.223 -0.025 0.000 2.012 170 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 170 L C 2.327 179.213 176.870 0.027 0.000 1.073 170 L CA 1.775 56.598 54.840 -0.027 0.000 0.748 170 L CB -0.855 41.147 42.059 -0.096 0.000 0.891 170 L HN 0.415 nan 8.230 nan 0.000 0.431 171 L N -0.630 120.614 121.223 0.034 0.000 2.079 171 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 171 L C 2.567 179.439 176.870 0.002 0.000 1.081 171 L CA 1.724 56.577 54.840 0.021 0.000 0.752 171 L CB -0.524 41.552 42.059 0.028 0.000 0.896 171 L HN 0.428 nan 8.230 nan 0.000 0.433 172 E N 0.166 120.391 120.200 0.041 0.000 2.106 172 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 172 E C 2.237 178.749 176.600 -0.147 0.000 0.984 172 E CA 1.041 57.448 56.400 0.013 0.000 0.806 172 E CB -0.000 29.793 29.700 0.156 0.000 0.750 172 E HN 0.437 nan 8.360 nan 0.000 0.458 173 A N 0.680 123.433 122.820 -0.112 0.000 1.933 173 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 173 A C 2.060 179.501 177.584 -0.239 0.000 1.175 173 A CA 1.636 53.491 52.037 -0.303 0.000 0.628 173 A CB -0.473 18.534 19.000 0.012 0.000 0.814 173 A HN 0.342 nan 8.150 nan 0.000 0.444 174 Q N -0.819 118.910 119.800 -0.118 0.000 2.083 174 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 174 Q C 2.329 178.244 176.000 -0.141 0.000 0.969 174 Q CA 1.188 56.934 55.803 -0.096 0.000 0.838 174 Q CB -0.167 28.547 28.738 -0.041 0.000 0.900 174 Q HN 0.609 nan 8.270 nan 0.000 0.436 175 R N 0.419 120.832 120.500 -0.146 0.000 2.096 175 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 175 R C 2.148 178.309 176.300 -0.232 0.000 1.127 175 R CA 0.908 56.920 56.100 -0.147 0.000 0.968 175 R CB -0.245 29.990 30.300 -0.109 0.000 0.861 175 R HN 0.255 nan 8.270 nan 0.000 0.440 176 L N -0.619 120.368 121.223 -0.394 0.000 2.376 176 L HA 0.028 4.368 4.340 -0.000 0.000 0.219 176 L C 1.367 177.871 176.870 -0.610 0.000 1.133 176 L CA 0.859 55.329 54.840 -0.617 0.000 0.816 176 L CB -0.034 41.355 42.059 -1.116 0.000 0.933 176 L HN 0.529 nan 8.230 nan 0.000 0.449 177 G N -1.887 106.666 108.800 -0.411 0.000 2.176 177 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.232 177 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.232 177 G C 0.487 175.338 174.900 -0.082 0.000 0.986 177 G CA 0.193 45.165 45.100 -0.213 0.000 0.643 177 G HN 0.185 nan 8.290 nan 0.000 0.522 178 Y N 0.519 120.746 120.300 -0.121 0.000 2.220 178 Y HA 0.537 5.087 4.550 -0.000 0.000 0.291 178 Y C 2.062 177.925 175.900 -0.062 0.000 1.129 178 Y CA 0.552 58.592 58.100 -0.102 0.000 1.161 178 Y CB -0.553 37.810 38.460 -0.162 0.000 0.997 178 Y HN 0.647 nan 8.280 nan 0.000 0.522 179 A N 0.959 123.830 122.820 0.085 0.000 2.337 179 A HA 0.537 4.857 4.320 -0.000 0.000 0.331 179 A C 0.104 177.700 177.584 0.021 0.000 1.137 179 A CA -0.811 51.256 52.037 0.050 0.000 0.807 179 A CB 0.919 19.944 19.000 0.042 0.000 1.250 179 A HN 0.178 nan 8.150 nan 0.000 0.468 180 E N 1.115 121.331 120.200 0.026 0.000 2.359 180 E HA 0.489 4.839 4.350 -0.000 0.000 0.255 180 E C 1.061 177.671 176.600 0.016 0.000 1.191 180 E CA 0.021 56.432 56.400 0.018 0.000 0.952 180 E CB 0.707 30.422 29.700 0.025 0.000 1.152 180 E HN 0.614 nan 8.360 nan 0.000 0.496 181 A N 0.449 123.277 122.820 0.013 0.000 1.903 181 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 181 A C 0.937 178.536 177.584 0.024 0.000 1.191 181 A CA 2.095 54.140 52.037 0.014 0.000 0.638 181 A CB -0.439 18.568 19.000 0.012 0.000 0.823 181 A HN 0.601 nan 8.150 nan 0.000 0.451 182 D N -1.262 119.155 120.400 0.028 0.000 2.464 182 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 182 D C -2.415 173.910 176.300 0.042 0.000 1.104 182 D CA -1.926 52.096 54.000 0.037 0.000 0.883 182 D CB 1.389 42.210 40.800 0.035 0.000 1.050 182 D HN 0.137 nan 8.370 nan 0.000 0.524 183 P HA 0.078 nan 4.420 nan 0.000 0.253 183 P C 0.912 178.248 177.300 0.061 0.000 1.459 183 P CA -0.097 63.035 63.100 0.052 0.000 0.908 183 P CB 0.339 32.069 31.700 0.050 0.000 1.470 184 T N 0.606 115.196 114.554 0.060 0.000 2.720 184 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 184 T C 1.811 176.544 174.700 0.054 0.000 1.037 184 T CA 1.216 63.353 62.100 0.062 0.000 1.144 184 T CB -0.556 68.345 68.868 0.054 0.000 0.864 184 T HN 0.141 nan 8.240 nan 0.000 0.444 185 L N 0.847 122.100 121.223 0.049 0.000 2.046 185 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 185 L C 2.540 179.424 176.870 0.024 0.000 1.077 185 L CA 1.245 56.106 54.840 0.034 0.000 0.747 185 L CB -0.577 41.512 42.059 0.050 0.000 0.896 185 L HN 0.273 nan 8.230 nan 0.000 0.432 186 D N -0.109 120.314 120.400 0.039 0.000 2.077 186 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 186 D C 2.177 178.503 176.300 0.044 0.000 0.986 186 D CA 1.877 55.899 54.000 0.037 0.000 0.829 186 D CB -0.336 40.489 40.800 0.042 0.000 0.983 186 D HN 0.354 nan 8.370 nan 0.000 0.453 187 V N -0.383 119.569 119.914 0.064 0.000 2.913 187 V HA -0.049 4.071 4.120 -0.000 0.000 0.260 187 V C 1.566 177.711 176.094 0.086 0.000 1.098 187 V CA 1.343 63.699 62.300 0.094 0.000 1.121 187 V CB -0.312 31.610 31.823 0.165 0.000 0.714 187 V HN -0.087 nan 8.190 nan 0.000 0.487 188 E N 0.884 121.121 120.200 0.061 0.000 2.479 188 E HA 0.231 4.581 4.350 -0.000 0.000 0.193 188 E C 1.835 178.455 176.600 0.033 0.000 1.049 188 E CA 0.672 57.100 56.400 0.047 0.000 0.870 188 E CB 0.259 29.983 29.700 0.041 0.000 0.944 188 E HN 0.892 nan 8.360 nan 0.000 0.492 189 G N 1.468 110.286 108.800 0.030 0.000 2.162 189 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 189 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 189 G C 1.004 175.906 174.900 0.003 0.000 0.976 189 G CA 0.449 45.563 45.100 0.023 0.000 0.655 189 G HN 0.272 nan 8.290 nan 0.000 0.533 190 I N 1.023 121.577 120.570 -0.027 0.000 2.353 190 I HA 0.008 4.178 4.170 -0.000 0.000 0.248 190 I C 2.247 178.182 176.117 -0.303 0.000 1.119 190 I CA 1.893 63.127 61.300 -0.110 0.000 1.417 190 I CB -1.045 36.892 38.000 -0.105 0.000 1.078 190 I HN 0.334 nan 8.210 nan 0.000 0.421 191 D N 1.167 121.470 120.400 -0.161 0.000 2.117 191 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 191 D C 2.216 178.521 176.300 0.009 0.000 0.987 191 D CA 1.455 55.418 54.000 -0.062 0.000 0.829 191 D CB 0.233 41.052 40.800 0.032 0.000 0.961 191 D HN 0.238 nan 8.370 nan 0.000 0.460 192 A N 0.353 123.181 122.820 0.014 0.000 1.930 192 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 192 A C 2.356 179.986 177.584 0.078 0.000 1.175 192 A CA 1.819 53.884 52.037 0.046 0.000 0.627 192 A CB -0.972 18.053 19.000 0.042 0.000 0.815 192 A HN 0.339 nan 8.150 nan 0.000 0.443 193 A N -0.782 122.089 122.820 0.084 0.000 1.933 193 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 193 A C 1.887 179.673 177.584 0.337 0.000 1.175 193 A CA 1.645 53.798 52.037 0.193 0.000 0.628 193 A CB -0.931 18.198 19.000 0.215 0.000 0.814 193 A HN 0.758 nan 8.150 nan 0.000 0.444 194 H N -0.365 118.823 119.070 0.198 0.000 2.293 194 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 194 H C 2.162 177.487 175.328 -0.006 0.000 1.082 194 H CA 1.607 57.648 56.048 -0.010 0.000 1.308 194 H CB 0.018 29.703 29.762 -0.129 0.000 1.375 194 H HN 0.440 nan 8.280 nan 0.000 0.495 195 K N 0.325 120.812 120.400 0.145 0.000 2.057 195 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 195 K C 2.130 178.749 176.600 0.031 0.000 1.049 195 K CA 0.969 57.292 56.287 0.061 0.000 0.931 195 K CB -0.164 32.367 32.500 0.052 0.000 0.714 195 K HN 0.066 nan 8.250 nan 0.000 0.440 196 L N 1.530 122.783 121.223 0.051 0.000 2.042 196 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 196 L C 1.968 178.800 176.870 -0.063 0.000 1.076 196 L CA 1.941 56.780 54.840 -0.002 0.000 0.749 196 L CB -0.780 41.296 42.059 0.028 0.000 0.893 196 L HN 0.128 nan 8.230 nan 0.000 0.432 197 T N -0.344 114.232 114.554 0.037 0.000 2.746 197 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 197 T C 1.818 176.455 174.700 -0.106 0.000 1.039 197 T CA 1.574 63.701 62.100 0.046 0.000 1.142 197 T CB -0.266 68.753 68.868 0.253 0.000 0.866 197 T HN 0.155 nan 8.240 nan 0.000 0.444 198 L N 0.608 121.763 121.223 -0.114 0.000 2.093 198 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 198 L C 2.286 179.080 176.870 -0.127 0.000 1.085 198 L CA 1.345 56.089 54.840 -0.160 0.000 0.755 198 L CB -0.945 41.067 42.059 -0.078 0.000 0.904 198 L HN 0.288 nan 8.230 nan 0.000 0.435 199 L N -1.401 119.752 121.223 -0.117 0.000 2.072 199 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 199 L C 2.643 179.387 176.870 -0.211 0.000 1.079 199 L CA 1.045 55.810 54.840 -0.124 0.000 0.752 199 L CB -0.844 41.160 42.059 -0.092 0.000 0.906 199 L HN 0.239 nan 8.230 nan 0.000 0.436 200 A N 0.381 123.011 122.820 -0.317 0.000 1.933 200 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 200 A C 2.385 179.782 177.584 -0.312 0.000 1.175 200 A CA 1.501 53.243 52.037 -0.491 0.000 0.628 200 A CB -0.456 17.990 19.000 -0.924 0.000 0.814 200 A HN 0.323 nan 8.150 nan 0.000 0.444 201 R N -1.016 119.367 120.500 -0.194 0.000 2.115 201 R HA 0.033 4.373 4.340 -0.000 0.000 0.230 201 R C 2.122 178.406 176.300 -0.027 0.000 1.111 201 R CA 1.256 57.310 56.100 -0.076 0.000 0.976 201 R CB -0.380 29.811 30.300 -0.182 0.000 0.870 201 R HN 0.601 nan 8.270 nan 0.000 0.445 202 L N 0.162 121.350 121.223 -0.059 0.000 2.179 202 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 202 L C 1.656 178.497 176.870 -0.048 0.000 1.096 202 L CA 0.853 55.684 54.840 -0.014 0.000 0.779 202 L CB 0.140 42.189 42.059 -0.017 0.000 0.922 202 L HN 0.149 nan 8.230 nan 0.000 0.443 203 L N -1.464 119.687 121.223 -0.120 0.000 2.349 203 L HA 0.080 4.420 4.340 -0.000 0.000 0.200 203 L C 1.877 178.638 176.870 -0.182 0.000 1.064 203 L CA 1.511 56.261 54.840 -0.151 0.000 0.821 203 L CB 0.501 42.441 42.059 -0.198 0.000 1.027 203 L HN 0.218 nan 8.230 nan 0.000 0.476 204 V N -4.558 115.182 119.914 -0.290 0.000 3.562 204 V HA 0.415 4.535 4.120 -0.000 0.000 0.270 204 V C -0.372 175.653 176.094 -0.114 0.000 1.418 204 V CA 0.261 62.386 62.300 -0.292 0.000 1.033 204 V CB 0.728 32.058 31.823 -0.822 0.000 0.820 204 V HN 0.340 nan 8.190 nan 0.000 0.441 205 D N 1.164 121.525 120.400 -0.065 0.000 2.354 205 D HA 0.345 4.985 4.640 -0.000 0.000 0.230 205 D C -2.090 174.301 176.300 0.151 0.000 1.361 205 D CA -1.256 52.804 54.000 0.101 0.000 0.992 205 D CB 2.237 43.174 40.800 0.228 0.000 1.409 205 D HN 0.098 nan 8.370 nan 0.000 0.573 206 P HA -0.015 nan 4.420 nan 0.000 0.221 206 P C 0.935 178.489 177.300 0.424 0.000 1.145 206 P CA 0.808 64.066 63.100 0.263 0.000 0.795 206 P CB 0.395 32.215 31.700 0.201 0.000 0.775 207 G N -1.606 107.384 108.800 0.318 0.000 3.575 207 G HA2 0.087 4.047 3.960 -0.000 0.000 0.273 207 G HA3 0.087 4.047 3.960 -0.000 0.000 0.273 207 G C -0.231 174.826 174.900 0.261 0.000 1.053 207 G CA -0.426 44.879 45.100 0.341 0.000 0.803 207 G HN 0.105 nan 8.290 nan 0.000 0.528 208 F N 2.498 122.510 119.950 0.103 0.000 2.580 208 F HA 0.226 4.753 4.527 -0.000 0.000 0.398 208 F C -1.886 173.950 175.800 0.059 0.000 1.023 208 F CA -1.616 56.411 58.000 0.045 0.000 1.188 208 F CB 0.843 39.828 39.000 -0.025 0.000 1.005 208 F HN -0.019 nan 8.300 nan 0.000 0.546 209 P HA 0.057 nan 4.420 nan 0.000 0.287 209 P C 0.259 177.533 177.300 -0.043 0.000 1.281 209 P CA -0.203 62.814 63.100 -0.139 0.000 0.781 209 P CB 0.495 32.081 31.700 -0.191 0.000 0.903 210 F N 4.622 124.589 119.950 0.029 0.000 2.161 210 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 210 F C 1.914 177.751 175.800 0.062 0.000 1.089 210 F CA 1.931 59.987 58.000 0.094 0.000 1.282 210 F CB -0.757 38.304 39.000 0.102 0.000 1.010 210 F HN 0.348 nan 8.300 nan 0.000 0.485 211 A N -0.205 122.487 122.820 -0.214 0.000 2.178 211 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 211 A C 2.026 179.451 177.584 -0.265 0.000 1.157 211 A CA 1.508 53.361 52.037 -0.307 0.000 0.689 211 A CB -0.791 18.145 19.000 -0.105 0.000 0.787 211 A HN 0.611 nan 8.150 nan 0.000 0.465 212 E N -0.421 119.635 120.200 -0.241 0.000 2.478 212 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 212 E C -0.430 176.126 176.600 -0.074 0.000 1.045 212 E CA -0.214 56.071 56.400 -0.191 0.000 0.868 212 E CB 0.223 29.720 29.700 -0.339 0.000 0.885 212 E HN 0.362 nan 8.360 nan 0.000 0.505 213 V N 2.813 122.684 119.914 -0.070 0.000 2.508 213 V HA 0.004 4.124 4.120 -0.000 0.000 0.281 213 V C 0.250 176.304 176.094 -0.068 0.000 1.041 213 V CA 0.210 62.516 62.300 0.010 0.000 1.016 213 V CB 0.838 32.677 31.823 0.027 0.000 0.984 213 V HN 0.090 nan 8.190 nan 0.000 0.478 214 E N 3.751 123.952 120.200 0.002 0.000 2.130 214 E HA 0.613 4.963 4.350 -0.000 0.000 0.284 214 E C -0.204 176.406 176.600 0.018 0.000 1.018 214 E CA -0.248 56.152 56.400 0.000 0.000 0.817 214 E CB 1.503 31.225 29.700 0.038 0.000 1.078 214 E HN 0.799 nan 8.360 nan 0.000 0.396 215 A N 3.954 126.771 122.820 -0.005 0.000 2.371 215 A HA 0.473 4.793 4.320 -0.000 0.000 0.311 215 A C -0.889 176.706 177.584 0.019 0.000 1.068 215 A CA -0.785 51.261 52.037 0.015 0.000 0.744 215 A CB 1.265 20.269 19.000 0.007 0.000 1.239 215 A HN 0.648 nan 8.150 nan 0.000 0.435 216 Q N 1.565 121.384 119.800 0.030 0.000 2.421 216 Q HA 0.730 5.070 4.340 -0.000 0.000 0.280 216 Q C -0.021 175.999 176.000 0.033 0.000 1.085 216 Q CA -0.697 55.123 55.803 0.028 0.000 0.807 216 Q CB 1.867 30.622 28.738 0.028 0.000 1.405 216 Q HN 0.824 nan 8.270 nan 0.000 0.419 217 G N 0.791 109.612 108.800 0.035 0.000 2.736 217 G HA2 0.471 4.431 3.960 -0.000 0.000 0.229 217 G HA3 0.471 4.431 3.960 -0.000 0.000 0.229 217 G C 0.452 175.384 174.900 0.052 0.000 1.380 217 G CA -0.700 44.428 45.100 0.046 0.000 1.040 217 G HN 0.872 nan 8.290 nan 0.000 0.568 218 I N -2.419 118.201 120.570 0.083 0.000 3.928 218 I HA 0.422 4.592 4.170 -0.000 0.000 0.335 218 I C 2.044 178.244 176.117 0.138 0.000 1.325 218 I CA 0.445 61.808 61.300 0.105 0.000 1.107 218 I CB 0.598 38.672 38.000 0.123 0.000 1.014 218 I HN 0.295 nan 8.210 nan 0.000 0.400 219 A N 2.368 125.243 122.820 0.091 0.000 2.084 219 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 219 A C 2.310 179.848 177.584 -0.076 0.000 1.161 219 A CA 1.444 53.470 52.037 -0.019 0.000 0.653 219 A CB -0.559 18.419 19.000 -0.036 0.000 0.802 219 A HN 0.608 nan 8.150 nan 0.000 0.457 220 R N -1.071 119.416 120.500 -0.022 0.000 2.334 220 R HA 0.319 4.659 4.340 -0.000 0.000 0.216 220 R C -0.340 175.952 176.300 -0.013 0.000 0.905 220 R CA -0.244 55.837 56.100 -0.031 0.000 1.064 220 R CB -0.053 30.236 30.300 -0.018 0.000 1.046 220 R HN 0.389 nan 8.270 nan 0.000 0.508 221 L N 1.606 122.842 121.223 0.021 0.000 2.371 221 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 221 L C 0.573 177.477 176.870 0.056 0.000 1.124 221 L CA -0.112 54.751 54.840 0.038 0.000 0.816 221 L CB 1.284 43.378 42.059 0.058 0.000 1.129 221 L HN 0.098 nan 8.230 nan 0.000 0.448 222 T N -1.452 113.122 114.554 0.034 0.000 2.841 222 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 222 T C -2.425 172.288 174.700 0.021 0.000 1.166 222 T CA -1.706 60.416 62.100 0.036 0.000 1.007 222 T CB 1.984 70.859 68.868 0.011 0.000 1.253 222 T HN 0.170 nan 8.240 nan 0.000 0.511 223 P HA -0.024 nan 4.420 nan 0.000 0.219 223 P C 0.967 178.262 177.300 -0.008 0.000 1.146 223 P CA 1.033 64.133 63.100 -0.000 0.000 0.808 223 P CB 0.074 31.774 31.700 0.001 0.000 0.779 224 E N -0.721 119.476 120.200 -0.005 0.000 2.047 224 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 224 E C 2.034 178.625 176.600 -0.014 0.000 0.987 224 E CA 0.943 57.336 56.400 -0.010 0.000 0.799 224 E CB -1.432 28.262 29.700 -0.009 0.000 0.752 224 E HN 0.016 nan 8.360 nan 0.000 0.449 225 V N 1.036 120.942 119.914 -0.013 0.000 2.343 225 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 225 V C 2.221 178.300 176.094 -0.026 0.000 1.051 225 V CA 1.511 63.800 62.300 -0.018 0.000 1.036 225 V CB -0.498 31.316 31.823 -0.015 0.000 0.654 225 V HN 0.250 nan 8.190 nan 0.000 0.451 226 L N 0.301 121.509 121.223 -0.026 0.000 2.093 226 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 226 L C 2.810 179.657 176.870 -0.039 0.000 1.085 226 L CA 1.972 56.789 54.840 -0.038 0.000 0.755 226 L CB -0.694 41.342 42.059 -0.039 0.000 0.904 226 L HN 0.550 nan 8.230 nan 0.000 0.435 227 Q N 0.383 120.165 119.800 -0.031 0.000 2.123 227 Q HA -0.197 4.143 4.340 -0.000 0.000 0.199 227 Q C 1.904 177.887 176.000 -0.029 0.000 0.966 227 Q CA 1.154 56.939 55.803 -0.029 0.000 0.845 227 Q CB -0.207 28.517 28.738 -0.023 0.000 0.907 227 Q HN 0.399 nan 8.270 nan 0.000 0.439 228 K N 0.752 121.136 120.400 -0.027 0.000 2.148 228 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 228 K C 2.207 178.788 176.600 -0.032 0.000 1.050 228 K CA 1.085 57.357 56.287 -0.026 0.000 0.942 228 K CB -0.139 32.347 32.500 -0.023 0.000 0.724 228 K HN 0.333 nan 8.250 nan 0.000 0.446 229 A N 1.551 124.347 122.820 -0.039 0.000 1.898 229 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 229 A C 2.048 179.602 177.584 -0.051 0.000 1.181 229 A CA 1.468 53.475 52.037 -0.050 0.000 0.620 229 A CB -0.399 18.563 19.000 -0.063 0.000 0.819 229 A HN 0.364 nan 8.150 nan 0.000 0.442 230 E N -0.079 120.092 120.200 -0.048 0.000 2.160 230 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 230 E C 1.962 178.540 176.600 -0.037 0.000 0.991 230 E CA 0.942 57.315 56.400 -0.046 0.000 0.810 230 E CB -0.223 29.452 29.700 -0.042 0.000 0.742 230 E HN 0.561 nan 8.360 nan 0.000 0.466 231 A N 0.737 123.538 122.820 -0.032 0.000 2.067 231 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 231 A C 1.873 179.442 177.584 -0.025 0.000 1.158 231 A CA 0.849 52.871 52.037 -0.025 0.000 0.661 231 A CB -0.165 18.822 19.000 -0.022 0.000 0.801 231 A HN 0.143 nan 8.150 nan 0.000 0.452 232 R N -1.448 119.034 120.500 -0.030 0.000 2.362 232 R HA 0.248 4.588 4.340 -0.000 0.000 0.227 232 R C 0.949 177.230 176.300 -0.032 0.000 0.905 232 R CA 0.455 56.538 56.100 -0.028 0.000 1.067 232 R CB 0.144 30.426 30.300 -0.030 0.000 1.078 232 R HN 0.599 nan 8.270 nan 0.000 0.516 233 G N 1.947 110.725 108.800 -0.036 0.000 2.182 233 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 233 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 233 G C -0.349 174.518 174.900 -0.054 0.000 1.042 233 G CA 0.141 45.218 45.100 -0.038 0.000 0.775 233 G HN 0.406 nan 8.290 nan 0.000 0.501 234 E N -0.825 119.334 120.200 -0.068 0.000 2.359 234 E HA 0.785 5.135 4.350 -0.000 0.000 0.266 234 E C -0.218 176.315 176.600 -0.111 0.000 0.920 234 E CA -1.239 55.102 56.400 -0.099 0.000 0.788 234 E CB 1.549 31.188 29.700 -0.102 0.000 1.279 234 E HN 0.078 nan 8.360 nan 0.000 0.438 235 R N 0.627 121.034 120.500 -0.154 0.000 2.686 235 R HA 0.482 4.822 4.340 -0.000 0.000 0.286 235 R C -1.118 175.071 176.300 -0.185 0.000 0.969 235 R CA -0.939 55.070 56.100 -0.152 0.000 0.898 235 R CB 1.945 32.151 30.300 -0.157 0.000 1.183 235 R HN 0.303 nan 8.270 nan 0.000 0.456 236 V N 4.265 124.090 119.914 -0.147 0.000 2.439 236 V HA 0.538 4.658 4.120 -0.000 0.000 0.282 236 V C 0.259 176.265 176.094 -0.148 0.000 1.039 236 V CA -0.611 61.601 62.300 -0.147 0.000 0.913 236 V CB 1.312 33.077 31.823 -0.097 0.000 0.983 236 V HN 0.463 nan 8.190 nan 0.000 0.460 237 R N 3.014 123.409 120.500 -0.175 0.000 2.698 237 R HA 0.475 4.815 4.340 -0.000 0.000 0.275 237 R C -1.321 174.906 176.300 -0.121 0.000 1.001 237 R CA -1.052 54.956 56.100 -0.154 0.000 0.896 237 R CB 2.314 32.490 30.300 -0.207 0.000 1.218 237 R HN 0.581 nan 8.270 nan 0.000 0.462 238 L N 2.538 123.716 121.223 -0.074 0.000 2.342 238 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 238 L C -0.846 176.007 176.870 -0.028 0.000 1.095 238 L CA -0.014 54.806 54.840 -0.034 0.000 0.843 238 L CB 0.666 42.720 42.059 -0.009 0.000 1.201 238 L HN 0.264 nan 8.230 nan 0.000 0.445 239 V N 5.065 124.971 119.914 -0.012 0.000 2.483 239 V HA 0.719 4.839 4.120 -0.000 0.000 0.295 239 V C 0.359 176.528 176.094 0.123 0.000 1.035 239 V CA -0.533 61.789 62.300 0.038 0.000 0.896 239 V CB 1.402 33.234 31.823 0.016 0.000 0.986 239 V HN 0.890 nan 8.190 nan 0.000 0.447 240 A N 3.727 126.637 122.820 0.149 0.000 2.249 240 A HA 0.759 5.079 4.320 -0.000 0.000 0.314 240 A C 0.077 177.804 177.584 0.239 0.000 1.290 240 A CA -0.292 51.841 52.037 0.160 0.000 0.893 240 A CB 0.509 19.573 19.000 0.107 0.000 1.165 240 A HN 0.743 nan 8.150 nan 0.000 0.530 241 S N 1.266 117.142 115.700 0.293 0.000 2.503 241 S HA 0.681 5.151 4.470 -0.000 0.000 0.301 241 S C -0.996 173.748 174.600 0.240 0.000 1.087 241 S CA -0.471 57.953 58.200 0.372 0.000 1.042 241 S CB 1.485 65.096 63.200 0.685 0.000 1.043 241 S HN 0.731 nan 8.310 nan 0.000 0.489 242 L N 4.434 125.732 121.223 0.126 0.000 2.372 242 L HA 0.780 5.120 4.340 -0.000 0.000 0.273 242 L C -1.486 175.544 176.870 0.266 0.000 0.989 242 L CA -0.407 54.444 54.840 0.019 0.000 0.841 242 L CB 0.251 42.201 42.059 -0.181 0.000 1.225 242 L HN 0.695 nan 8.230 nan 0.000 0.414 243 F N 1.869 122.005 119.950 0.310 0.000 2.686 243 F HA 0.902 5.429 4.527 -0.000 0.000 0.311 243 F C 0.151 176.042 175.800 0.151 0.000 1.128 243 F CA -0.977 57.201 58.000 0.297 0.000 0.946 243 F CB 0.865 39.947 39.000 0.136 0.000 1.336 243 F HN 0.564 nan 8.300 nan 0.000 0.457 244 G N 0.383 109.189 108.800 0.010 0.000 2.415 244 G HA2 0.488 4.448 3.960 -0.000 0.000 0.269 244 G HA3 0.488 4.448 3.960 -0.000 0.000 0.269 244 G C -1.549 173.350 174.900 -0.001 0.000 1.209 244 G CA -0.338 44.590 45.100 -0.286 0.000 0.835 244 G HN 0.949 nan 8.290 nan 0.000 0.534 245 E N 0.732 120.883 120.200 -0.083 0.000 2.343 245 E HA 0.435 4.785 4.350 -0.000 0.000 0.288 245 E C 0.481 177.060 176.600 -0.035 0.000 0.907 245 E CA -0.223 56.188 56.400 0.019 0.000 0.792 245 E CB 0.815 30.580 29.700 0.108 0.000 1.275 245 E HN 1.220 nan 8.360 nan 0.000 0.402 246 G N 2.761 111.546 108.800 -0.024 0.000 2.233 246 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.270 246 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.270 246 G C 0.911 175.776 174.900 -0.060 0.000 1.011 246 G CA 0.792 45.873 45.100 -0.031 0.000 0.762 246 G HN 1.631 nan 8.290 nan 0.000 0.511 247 G N -2.018 106.720 108.800 -0.102 0.000 2.159 247 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.256 247 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.256 247 G C 0.251 175.047 174.900 -0.174 0.000 0.977 247 G CA 1.037 46.056 45.100 -0.134 0.000 0.652 247 G HN 1.101 nan 8.290 nan 0.000 0.531 248 R N -1.642 118.751 120.500 -0.179 0.000 2.795 248 R HA 0.501 4.841 4.340 -0.000 0.000 0.275 248 R C -0.757 175.426 176.300 -0.194 0.000 0.981 248 R CA -0.983 55.030 56.100 -0.146 0.000 0.917 248 R CB 1.179 31.462 30.300 -0.029 0.000 1.202 248 R HN 0.147 nan 8.270 nan 0.000 0.469 249 W N 2.166 123.478 121.300 0.019 0.000 2.253 249 W HA 0.240 4.900 4.660 -0.000 0.000 0.322 249 W C 0.751 177.247 176.519 -0.037 0.000 1.342 249 W CA 0.058 57.391 57.345 -0.020 0.000 1.218 249 W CB 0.575 30.060 29.460 0.041 0.000 1.205 249 W HN 0.155 nan 8.180 nan 0.000 0.551 250 R N 2.757 123.235 120.500 -0.037 0.000 2.534 250 R HA 0.766 5.106 4.340 -0.000 0.000 0.301 250 R C -1.092 174.993 176.300 -0.358 0.000 0.961 250 R CA -0.678 55.276 56.100 -0.243 0.000 0.871 250 R CB 1.209 31.181 30.300 -0.547 0.000 1.170 250 R HN 0.533 nan 8.270 nan 0.000 0.446 251 A N 2.699 125.492 122.820 -0.044 0.000 2.355 251 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 251 A C -1.369 176.263 177.584 0.080 0.000 1.094 251 A CA -0.442 51.588 52.037 -0.011 0.000 0.764 251 A CB 1.781 20.784 19.000 0.004 0.000 1.230 251 A HN 0.851 nan 8.150 nan 0.000 0.448 252 A N 1.250 124.158 122.820 0.147 0.000 2.594 252 A HA 0.722 5.042 4.320 -0.000 0.000 0.295 252 A C -1.463 176.224 177.584 0.171 0.000 1.071 252 A CA -0.439 51.701 52.037 0.171 0.000 0.685 252 A CB 1.467 20.614 19.000 0.245 0.000 1.285 252 A HN 1.348 nan 8.150 nan 0.000 0.405 253 V N 0.749 120.737 119.914 0.122 0.000 2.444 253 V HA 0.864 4.984 4.120 -0.000 0.000 0.294 253 V C 0.179 176.325 176.094 0.086 0.000 1.022 253 V CA 0.408 62.770 62.300 0.104 0.000 0.850 253 V CB 1.074 32.942 31.823 0.075 0.000 0.992 253 V HN 1.918 nan 8.190 nan 0.000 0.426 254 A N 6.374 129.242 122.820 0.081 0.000 2.597 254 A HA 0.870 5.190 4.320 -0.000 0.000 0.292 254 A C -3.352 174.248 177.584 0.028 0.000 1.057 254 A CA -1.280 50.790 52.037 0.056 0.000 0.674 254 A CB 1.958 20.999 19.000 0.068 0.000 1.278 254 A HN 0.550 nan 8.150 nan 0.000 0.416 255 P HA 0.458 nan 4.420 nan 0.000 0.271 255 P C -0.856 176.417 177.300 -0.044 0.000 1.216 255 P CA -0.011 63.073 63.100 -0.026 0.000 0.771 255 P CB 0.511 32.200 31.700 -0.019 0.000 0.864 256 R N 2.711 123.148 120.500 -0.105 0.000 2.744 256 R HA 0.426 4.766 4.340 -0.000 0.000 0.279 256 R C -0.152 176.009 176.300 -0.233 0.000 0.977 256 R CA -0.916 55.097 56.100 -0.145 0.000 0.906 256 R CB 1.907 32.095 30.300 -0.186 0.000 1.197 256 R HN 0.452 nan 8.270 nan 0.000 0.463 257 R N 2.151 122.528 120.500 -0.205 0.000 2.216 257 R HA 0.417 4.757 4.340 -0.000 0.000 0.332 257 R C -0.201 175.873 176.300 -0.377 0.000 1.056 257 R CA -0.238 55.729 56.100 -0.221 0.000 0.901 257 R CB 0.541 30.767 30.300 -0.123 0.000 1.039 257 R HN 0.312 nan 8.270 nan 0.000 0.456 258 L N 4.951 125.899 121.223 -0.459 0.000 2.334 258 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 258 L C -2.219 174.445 176.870 -0.343 0.000 1.013 258 L CA -2.709 51.748 54.840 -0.638 0.000 0.816 258 L CB 1.968 43.523 42.059 -0.840 0.000 1.278 258 L HN 0.264 nan 8.230 nan 0.000 0.431 259 P HA -0.001 nan 4.420 nan 0.000 0.268 259 P C 0.038 177.276 177.300 -0.104 0.000 1.204 259 P CA -0.256 62.782 63.100 -0.103 0.000 0.768 259 P CB 0.524 32.218 31.700 -0.010 0.000 0.842 260 Q N 1.937 121.687 119.800 -0.083 0.000 2.248 260 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 260 Q C 0.269 176.235 176.000 -0.057 0.000 0.984 260 Q CA 1.661 57.418 55.803 -0.076 0.000 0.875 260 Q CB -0.460 28.243 28.738 -0.057 0.000 0.910 260 Q HN 0.432 nan 8.270 nan 0.000 0.433 261 D N -0.132 120.246 120.400 -0.035 0.000 2.349 261 D HA -0.006 4.634 4.640 -0.000 0.000 0.214 261 D C 0.011 176.286 176.300 -0.042 0.000 1.063 261 D CA 0.045 54.028 54.000 -0.028 0.000 0.847 261 D CB -0.006 40.787 40.800 -0.012 0.000 0.933 261 D HN 0.323 nan 8.370 nan 0.000 0.513 262 H N 1.598 120.576 119.070 -0.152 0.000 2.815 262 H HA 0.010 4.566 4.556 -0.000 0.000 0.350 262 H C -1.551 173.612 175.328 -0.275 0.000 1.080 262 H CA -0.974 54.943 56.048 -0.218 0.000 1.433 262 H CB 1.799 31.363 29.762 -0.329 0.000 1.432 262 H HN -0.196 nan 8.280 nan 0.000 0.592 263 P HA -0.193 nan 4.420 nan 0.000 0.216 263 P C 1.788 178.855 177.300 -0.387 0.000 1.154 263 P CA 1.322 64.080 63.100 -0.570 0.000 0.865 263 P CB 0.183 31.199 31.700 -1.140 0.000 0.789 264 L N -1.855 119.289 121.223 -0.133 0.000 2.201 264 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 264 L C 2.288 179.039 176.870 -0.199 0.000 1.105 264 L CA 1.286 56.015 54.840 -0.185 0.000 0.775 264 L CB -0.830 41.049 42.059 -0.301 0.000 0.913 264 L HN -0.011 nan 8.230 nan 0.000 0.440 265 A N 0.787 123.499 122.820 -0.179 0.000 2.021 265 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 265 A C 2.155 179.668 177.584 -0.117 0.000 1.163 265 A CA 0.651 52.582 52.037 -0.176 0.000 0.676 265 A CB -0.187 18.703 19.000 -0.183 0.000 0.818 265 A HN 0.517 nan 8.150 nan 0.000 0.453 266 R N -0.927 119.515 120.500 -0.096 0.000 2.432 266 R HA 0.572 4.912 4.340 -0.000 0.000 0.260 266 R C 0.548 176.832 176.300 -0.027 0.000 0.935 266 R CA 0.436 56.503 56.100 -0.054 0.000 1.080 266 R CB -0.216 30.064 30.300 -0.033 0.000 1.155 266 R HN 0.209 nan 8.270 nan 0.000 0.531 267 A N 2.030 124.823 122.820 -0.045 0.000 2.483 267 A HA 0.208 4.528 4.320 -0.000 0.000 0.238 267 A C -0.324 177.266 177.584 0.011 0.000 1.070 267 A CA -0.337 51.702 52.037 0.003 0.000 0.770 267 A CB 0.227 19.217 19.000 -0.018 0.000 1.008 267 A HN 0.434 nan 8.150 nan 0.000 0.497 268 R N 1.516 122.039 120.500 0.040 0.000 2.204 268 R HA 0.504 4.844 4.340 -0.000 0.000 0.341 268 R C 0.651 176.963 176.300 0.019 0.000 1.035 268 R CA 0.733 56.849 56.100 0.027 0.000 0.887 268 R CB 0.653 30.976 30.300 0.040 0.000 1.114 268 R HN 1.517 nan 8.270 nan 0.000 0.473 269 G N 2.890 111.686 108.800 -0.006 0.000 2.660 269 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.247 269 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.247 269 G C -0.719 174.163 174.900 -0.030 0.000 1.328 269 G CA -0.930 44.153 45.100 -0.028 0.000 0.884 269 G HN 0.598 nan 8.290 nan 0.000 0.531 270 N N 0.117 118.794 118.700 -0.039 0.000 2.354 270 N HA 0.634 5.374 4.740 -0.000 0.000 0.246 270 N C 0.403 175.911 175.510 -0.004 0.000 1.285 270 N CA 0.920 53.952 53.050 -0.030 0.000 0.925 270 N CB 1.163 39.629 38.487 -0.035 0.000 1.174 270 N HN 1.492 nan 8.380 nan 0.000 0.478 271 A N 0.082 122.905 122.820 0.004 0.000 2.594 271 A HA 0.649 4.969 4.320 -0.000 0.000 0.295 271 A C -2.018 175.597 177.584 0.053 0.000 1.071 271 A CA -0.504 51.554 52.037 0.035 0.000 0.685 271 A CB 1.060 20.086 19.000 0.043 0.000 1.285 271 A HN 0.470 nan 8.150 nan 0.000 0.405 272 L N 0.816 122.069 121.223 0.049 0.000 2.376 272 L HA 0.831 5.171 4.340 -0.000 0.000 0.275 272 L C -1.472 175.532 176.870 0.225 0.000 0.987 272 L CA -0.284 54.602 54.840 0.078 0.000 0.828 272 L CB 1.284 43.294 42.059 -0.082 0.000 1.249 272 L HN 0.803 nan 8.230 nan 0.000 0.409 273 W N 6.864 128.268 121.300 0.173 0.000 2.702 273 W HA 0.745 5.405 4.660 0.000 0.000 0.331 273 W C -1.324 175.391 176.519 0.326 0.000 1.049 273 W CA -0.531 56.992 57.345 0.297 0.000 1.230 273 W CB 1.825 31.447 29.460 0.270 0.000 1.408 273 W HN 0.558 nan 8.180 nan 0.000 0.492 274 V N 3.091 122.885 119.914 -0.200 0.000 3.114 274 V HA 0.698 4.818 4.120 -0.000 0.000 0.308 274 V C -1.390 174.287 176.094 -0.695 0.000 1.168 274 V CA -1.497 60.645 62.300 -0.263 0.000 1.015 274 V CB 1.822 33.645 31.823 0.000 0.000 1.050 274 V HN 0.701 nan 8.190 nan 0.000 0.433 275 R N 1.508 121.765 120.500 -0.404 0.000 2.513 275 R HA 0.889 5.229 4.340 -0.000 0.000 0.301 275 R C -0.771 175.468 176.300 -0.102 0.000 0.968 275 R CA 0.212 56.139 56.100 -0.287 0.000 0.872 275 R CB 1.763 31.981 30.300 -0.137 0.000 1.177 275 R HN 1.501 nan 8.270 nan 0.000 0.444 276 A N 3.737 126.504 122.820 -0.088 0.000 2.572 276 A HA 0.543 4.863 4.320 -0.000 0.000 0.295 276 A C -1.507 176.058 177.584 -0.032 0.000 1.072 276 A CA -0.855 51.157 52.037 -0.042 0.000 0.691 276 A CB 1.697 20.656 19.000 -0.069 0.000 1.291 276 A HN 0.733 nan 8.150 nan 0.000 0.404 277 R N 2.247 122.742 120.500 -0.008 0.000 2.294 277 R HA 0.528 4.868 4.340 -0.000 0.000 0.319 277 R C -2.202 174.090 176.300 -0.013 0.000 0.984 277 R CA -1.776 54.321 56.100 -0.006 0.000 0.861 277 R CB 1.396 31.702 30.300 0.010 0.000 1.104 277 R HN 0.515 nan 8.270 nan 0.000 0.451 278 P HA -0.017 nan 4.420 nan 0.000 0.267 278 P C 1.025 178.309 177.300 -0.028 0.000 1.289 278 P CA -0.018 63.071 63.100 -0.018 0.000 0.866 278 P CB 0.302 31.994 31.700 -0.013 0.000 1.309 279 L N 0.562 121.758 121.223 -0.044 0.000 1.997 279 L HA -0.004 4.336 4.340 -0.000 0.000 0.216 279 L C 1.331 178.171 176.870 -0.050 0.000 1.074 279 L CA 2.972 57.778 54.840 -0.057 0.000 0.763 279 L CB -1.213 40.792 42.059 -0.089 0.000 0.890 279 L HN 0.357 nan 8.230 nan 0.000 0.434 280 G N -1.817 106.950 108.800 -0.056 0.000 2.456 280 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.204 280 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.204 280 G C -0.886 173.955 174.900 -0.097 0.000 1.193 280 G CA -0.114 44.958 45.100 -0.047 0.000 1.220 280 G HN 0.334 nan 8.290 nan 0.000 0.565 281 E N 0.697 120.844 120.200 -0.088 0.000 2.171 281 E HA 0.645 4.995 4.350 -0.000 0.000 0.271 281 E C -0.023 176.507 176.600 -0.117 0.000 0.916 281 E CA -0.135 56.146 56.400 -0.198 0.000 0.774 281 E CB 1.938 31.591 29.700 -0.079 0.000 1.128 281 E HN 1.131 nan 8.360 nan 0.000 0.403 282 A N 2.693 125.416 122.820 -0.162 0.000 2.587 282 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 282 A C -1.514 176.236 177.584 0.277 0.000 1.087 282 A CA -0.765 51.303 52.037 0.052 0.000 0.692 282 A CB 1.087 20.119 19.000 0.054 0.000 1.291 282 A HN 0.588 nan 8.150 nan 0.000 0.407 283 F N -1.110 118.961 119.950 0.201 0.000 2.693 283 F HA 0.775 5.302 4.527 -0.000 0.000 0.309 283 F C -1.489 174.236 175.800 -0.125 0.000 1.129 283 F CA -1.125 56.916 58.000 0.069 0.000 0.948 283 F CB 1.099 40.248 39.000 0.248 0.000 1.315 283 F HN 0.794 nan 8.300 nan 0.000 0.447 284 V N 1.573 121.362 119.914 -0.209 0.000 2.876 284 V HA 0.921 5.040 4.120 -0.000 0.000 0.312 284 V C -1.045 175.043 176.094 -0.009 0.000 1.085 284 V CA 0.340 62.491 62.300 -0.248 0.000 0.945 284 V CB 2.307 33.776 31.823 -0.591 0.000 1.017 284 V HN 1.426 nan 8.190 nan 0.000 0.428 285 T N 1.995 116.569 114.554 0.034 0.000 2.883 285 T HA 0.990 5.339 4.350 -0.000 0.000 0.301 285 T C -0.263 174.451 174.700 0.024 0.000 1.158 285 T CA -0.107 62.030 62.100 0.063 0.000 1.007 285 T CB 1.679 70.632 68.868 0.141 0.000 1.186 285 T HN 1.971 nan 8.240 nan 0.000 0.499 286 G N 0.852 109.662 108.800 0.016 0.000 2.315 286 G HA2 0.562 4.522 3.960 -0.000 0.000 0.294 286 G HA3 0.562 4.522 3.960 -0.000 0.000 0.294 286 G C -3.390 171.507 174.900 -0.005 0.000 1.300 286 G CA -0.844 44.262 45.100 0.011 0.000 0.843 286 G HN 0.748 nan 8.290 nan 0.000 0.527 287 P HA 0.237 nan 4.420 nan 0.000 0.268 287 P C 0.608 177.890 177.300 -0.031 0.000 1.205 287 P CA 0.722 63.806 63.100 -0.026 0.000 0.771 287 P CB 1.390 33.094 31.700 0.007 0.000 0.858 288 G N 0.954 109.713 108.800 -0.069 0.000 3.159 288 G HA2 0.486 4.446 3.960 -0.000 0.000 0.232 288 G HA3 0.486 4.446 3.960 -0.000 0.000 0.232 288 G C 0.191 175.072 174.900 -0.030 0.000 1.116 288 G CA 0.346 45.419 45.100 -0.046 0.000 0.767 288 G HN 0.850 nan 8.290 nan 0.000 0.547 289 A N -1.446 121.357 122.820 -0.028 0.000 2.581 289 A HA 0.924 5.244 4.320 -0.000 0.000 0.290 289 A C -0.077 177.566 177.584 0.098 0.000 1.119 289 A CA -0.008 52.049 52.037 0.034 0.000 0.670 289 A CB 0.897 19.922 19.000 0.041 0.000 1.280 289 A HN 1.875 nan 8.150 nan 0.000 0.425 290 G N -1.828 107.046 108.800 0.123 0.000 2.592 290 G HA2 0.472 4.432 3.960 -0.000 0.000 0.685 290 G HA3 0.472 4.432 3.960 -0.000 0.000 0.685 290 G C 0.721 175.670 174.900 0.082 0.000 1.278 290 G CA 0.420 45.595 45.100 0.124 0.000 0.822 290 G HN 2.033 nan 8.290 nan 0.000 0.652 291 G N 0.183 109.022 108.800 0.064 0.000 2.433 291 G HA2 0.240 4.200 3.960 -0.000 0.000 0.216 291 G HA3 0.240 4.200 3.960 -0.000 0.000 0.216 291 G C 1.956 176.901 174.900 0.075 0.000 1.186 291 G CA 2.027 47.165 45.100 0.063 0.000 0.779 291 G HN 1.886 nan 8.290 nan 0.000 0.543 292 G N 1.066 109.904 108.800 0.063 0.000 2.418 292 G HA2 0.045 4.005 3.960 -0.000 0.000 0.217 292 G HA3 0.045 4.005 3.960 -0.000 0.000 0.217 292 G C 2.077 177.024 174.900 0.077 0.000 1.158 292 G CA 1.633 46.770 45.100 0.062 0.000 0.771 292 G HN 0.666 nan 8.290 nan 0.000 0.545 293 A N 0.319 123.185 122.820 0.077 0.000 1.877 293 A HA -0.030 4.289 4.320 -0.000 0.000 0.216 293 A C 2.543 180.179 177.584 0.087 0.000 1.186 293 A CA 2.526 54.609 52.037 0.077 0.000 0.620 293 A CB -0.971 18.070 19.000 0.068 0.000 0.822 293 A HN 0.305 nan 8.150 nan 0.000 0.443 294 T N 0.271 114.877 114.554 0.086 0.000 2.777 294 T HA 0.040 4.390 4.350 -0.000 0.000 0.266 294 T C 2.213 176.989 174.700 0.127 0.000 1.040 294 T CA 1.395 63.548 62.100 0.088 0.000 1.141 294 T CB -0.444 68.467 68.868 0.072 0.000 0.868 294 T HN 0.594 nan 8.240 nan 0.000 0.444 295 A N 1.221 124.136 122.820 0.158 0.000 1.940 295 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 295 A C 2.560 180.317 177.584 0.288 0.000 1.176 295 A CA 2.080 54.272 52.037 0.259 0.000 0.631 295 A CB -1.089 18.043 19.000 0.221 0.000 0.814 295 A HN 0.449 nan 8.150 nan 0.000 0.446 296 S N -0.648 115.171 115.700 0.199 0.000 2.383 296 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 296 S C 2.005 176.746 174.600 0.235 0.000 1.030 296 S CA 1.830 60.158 58.200 0.214 0.000 1.002 296 S CB -0.641 62.645 63.200 0.144 0.000 0.829 296 S HN 0.714 nan 8.310 nan 0.000 0.467 297 G N 1.230 110.136 108.800 0.177 0.000 2.402 297 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 297 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 297 G C 1.411 176.409 174.900 0.164 0.000 1.162 297 G CA 0.754 45.942 45.100 0.146 0.000 0.777 297 G HN 0.520 nan 8.290 nan 0.000 0.539 298 L N -0.911 120.417 121.223 0.175 0.000 2.093 298 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 298 L C 2.530 179.581 176.870 0.302 0.000 1.085 298 L CA 0.716 55.623 54.840 0.112 0.000 0.755 298 L CB -0.364 41.618 42.059 -0.128 0.000 0.904 298 L HN 0.189 nan 8.230 nan 0.000 0.435 299 F N 0.758 120.899 119.950 0.318 0.000 2.206 299 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 299 F C 2.421 178.310 175.800 0.149 0.000 1.090 299 F CA 0.788 58.966 58.000 0.296 0.000 1.323 299 F CB -0.275 38.846 39.000 0.203 0.000 1.028 299 F HN -0.019 nan 8.300 nan 0.000 0.492 300 A N -0.135 122.779 122.820 0.156 0.000 1.908 300 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 300 A C 2.003 179.585 177.584 -0.002 0.000 1.181 300 A CA 2.098 54.166 52.037 0.051 0.000 0.627 300 A CB -0.929 18.145 19.000 0.124 0.000 0.818 300 A HN 0.376 nan 8.150 nan 0.000 0.445 301 D N -0.577 119.856 120.400 0.055 0.000 2.183 301 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 301 D C 1.880 178.086 176.300 -0.156 0.000 0.969 301 D CA 0.880 54.916 54.000 0.059 0.000 0.842 301 D CB -0.252 40.647 40.800 0.166 0.000 0.957 301 D HN 0.464 nan 8.370 nan 0.000 0.484 302 L N 0.218 121.334 121.223 -0.178 0.000 2.056 302 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 302 L C 2.157 178.839 176.870 -0.314 0.000 1.078 302 L CA 0.932 55.631 54.840 -0.235 0.000 0.749 302 L CB -0.057 41.909 42.059 -0.155 0.000 0.901 302 L HN -0.010 nan 8.230 nan 0.000 0.433 303 L N -0.476 120.483 121.223 -0.440 0.000 2.093 303 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 303 L C 2.782 179.465 176.870 -0.313 0.000 1.085 303 L CA 1.222 55.768 54.840 -0.490 0.000 0.755 303 L CB -0.537 41.277 42.059 -0.409 0.000 0.904 303 L HN 0.316 nan 8.230 nan 0.000 0.435 304 R N 0.269 120.683 120.500 -0.144 0.000 2.081 304 R HA -0.237 4.103 4.340 -0.000 0.000 0.235 304 R C 2.402 178.699 176.300 -0.005 0.000 1.131 304 R CA 1.744 57.835 56.100 -0.014 0.000 0.960 304 R CB -0.419 29.950 30.300 0.115 0.000 0.856 304 R HN 0.279 nan 8.270 nan 0.000 0.436 305 F N 1.094 120.886 119.950 -0.265 0.000 2.102 305 F HA -0.115 4.412 4.527 0.000 0.000 0.298 305 F C 1.657 177.327 175.800 -0.217 0.000 1.105 305 F CA 1.385 59.214 58.000 -0.286 0.000 1.239 305 F CB -0.128 38.510 39.000 -0.602 0.000 0.991 305 F HN -0.014 nan 8.300 nan 0.000 0.474 306 L N 0.419 121.337 121.223 -0.508 0.000 2.265 306 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 306 L C 2.532 179.145 176.870 -0.430 0.000 1.117 306 L CA 1.259 55.700 54.840 -0.666 0.000 0.782 306 L CB -0.892 40.600 42.059 -0.945 0.000 0.914 306 L HN 0.380 nan 8.230 nan 0.000 0.441 307 S N -0.817 114.721 115.700 -0.269 0.000 2.561 307 S HA 0.092 4.562 4.470 -0.000 0.000 0.225 307 S C 1.549 176.124 174.600 -0.043 0.000 0.977 307 S CA 0.482 58.690 58.200 0.013 0.000 0.926 307 S CB 0.305 63.538 63.200 0.055 0.000 0.769 307 S HN 0.545 nan 8.310 nan 0.000 0.533 308 G N 0.315 109.018 108.800 -0.161 0.000 2.157 308 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.239 308 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.239 308 G C 0.155 175.025 174.900 -0.051 0.000 0.982 308 G CA -0.127 44.896 45.100 -0.128 0.000 0.650 308 G HN 1.247 nan 8.290 nan 0.000 0.527 309 A N 1.037 123.851 122.820 -0.010 0.000 2.316 309 A HA 0.836 5.155 4.320 -0.000 0.000 0.284 309 A C -1.073 176.572 177.584 0.101 0.000 1.115 309 A CA -0.910 51.146 52.037 0.031 0.000 0.812 309 A CB 0.958 19.975 19.000 0.028 0.000 1.064 309 A HN 0.238 nan 8.150 nan 0.000 0.489 310 P HA 0.260 nan 4.420 nan 0.000 0.275 310 P C 0.579 177.625 177.300 -0.423 0.000 1.266 310 P CA 0.049 63.107 63.100 -0.071 0.000 0.793 310 P CB 0.526 32.178 31.700 -0.080 0.000 1.074 311 G N -0.421 107.879 108.800 -0.834 0.000 2.525 311 G HA2 0.120 4.080 3.960 -0.000 0.000 0.276 311 G HA3 0.120 4.080 3.960 -0.000 0.000 0.276 311 G C -0.682 173.819 174.900 -0.665 0.000 1.388 311 G CA -0.403 43.855 45.100 -1.404 0.000 1.050 311 G HN 0.564 nan 8.290 nan 0.000 0.520 312 H N -0.779 118.116 119.070 -0.292 0.000 2.819 312 H HA 0.361 4.916 4.556 -0.000 0.000 0.303 312 H C 0.232 175.561 175.328 0.000 0.000 1.058 312 H CA -0.117 55.852 56.048 -0.132 0.000 1.471 312 H CB 0.675 30.297 29.762 -0.232 0.000 1.480 312 H HN 0.116 nan 8.280 nan 0.000 0.517 313 L N 5.830 127.095 121.223 0.070 0.000 2.343 313 L HA 0.401 4.741 4.340 -0.000 0.000 0.275 313 L C -2.026 174.931 176.870 0.144 0.000 1.056 313 L CA -2.215 52.683 54.840 0.096 0.000 0.804 313 L CB 1.057 43.133 42.059 0.030 0.000 1.203 313 L HN 0.441 nan 8.230 nan 0.000 0.440 314 P HA 0.123 nan 4.420 nan 0.000 0.274 314 P C -0.675 176.695 177.300 0.117 0.000 1.246 314 P CA -0.426 62.804 63.100 0.216 0.000 0.795 314 P CB 0.572 32.469 31.700 0.329 0.000 1.006 315 A N 3.030 125.903 122.820 0.089 0.000 2.531 315 A HA 0.116 4.436 4.320 -0.000 0.000 0.236 315 A C -1.267 176.350 177.584 0.056 0.000 1.062 315 A CA -0.361 51.705 52.037 0.048 0.000 0.760 315 A CB -1.196 17.818 19.000 0.024 0.000 0.995 315 A HN 0.456 nan 8.150 nan 0.000 0.501 316 P HA -0.112 nan 4.420 nan 0.000 0.216 316 P C 0.195 177.518 177.300 0.039 0.000 1.153 316 P CA 1.788 64.907 63.100 0.032 0.000 0.858 316 P CB 0.085 31.798 31.700 0.021 0.000 0.789 317 R N -2.937 117.590 120.500 0.046 0.000 2.734 317 R HA 0.752 5.092 4.340 -0.000 0.000 0.271 317 R C -1.397 174.946 176.300 0.073 0.000 1.021 317 R CA -1.162 54.971 56.100 0.055 0.000 0.893 317 R CB 0.902 31.230 30.300 0.046 0.000 1.244 317 R HN -0.213 nan 8.270 nan 0.000 0.464 318 A N 1.502 124.375 122.820 0.089 0.000 2.401 318 A HA 0.543 4.863 4.320 -0.000 0.000 0.259 318 A C -0.381 177.286 177.584 0.138 0.000 1.103 318 A CA -0.598 51.513 52.037 0.123 0.000 0.789 318 A CB 0.176 19.260 19.000 0.139 0.000 1.035 318 A HN 0.762 nan 8.150 nan 0.000 0.491 319 R N 2.624 123.242 120.500 0.197 0.000 2.628 319 R HA 0.689 5.029 4.340 -0.000 0.000 0.288 319 R C -3.123 173.404 176.300 0.378 0.000 0.980 319 R CA -1.746 54.486 56.100 0.220 0.000 0.891 319 R CB 1.527 31.937 30.300 0.183 0.000 1.188 319 R HN 0.456 nan 8.270 nan 0.000 0.450 320 P HA 0.200 nan 4.420 nan 0.000 0.274 320 P C -2.401 174.836 177.300 -0.104 0.000 1.246 320 P CA -1.443 61.668 63.100 0.018 0.000 0.795 320 P CB 0.365 32.038 31.700 -0.043 0.000 1.006 321 P HA 0.177 nan 4.420 nan 0.000 0.274 321 P C 0.801 177.926 177.300 -0.291 0.000 1.231 321 P CA -0.156 62.471 63.100 -0.789 0.000 0.790 321 P CB 1.002 31.815 31.700 -1.478 0.000 0.951 322 L N 0.368 121.517 121.223 -0.125 0.000 2.492 322 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 322 L C 1.226 178.055 176.870 -0.069 0.000 1.132 322 L CA 0.938 55.746 54.840 -0.053 0.000 0.850 322 L CB -0.345 41.721 42.059 0.011 0.000 0.966 322 L HN 0.592 nan 8.230 nan 0.000 0.454 323 E N -1.209 118.927 120.200 -0.107 0.000 2.388 323 E HA 0.220 4.570 4.350 -0.000 0.000 0.282 323 E C -1.203 175.348 176.600 -0.082 0.000 1.026 323 E CA -0.786 55.571 56.400 -0.071 0.000 0.820 323 E CB 0.917 30.604 29.700 -0.022 0.000 1.226 323 E HN -0.034 nan 8.360 nan 0.000 0.432 324 E N 1.172 121.342 120.200 -0.050 0.000 2.415 324 E HA 0.259 4.609 4.350 -0.000 0.000 0.263 324 E C 0.026 176.647 176.600 0.035 0.000 0.995 324 E CA 0.400 56.794 56.400 -0.010 0.000 0.915 324 E CB 0.815 30.515 29.700 -0.001 0.000 0.951 324 E HN 0.513 nan 8.360 nan 0.000 0.449 325 G N 1.436 110.314 108.800 0.130 0.000 2.425 325 G HA2 0.315 4.275 3.960 -0.000 0.000 0.302 325 G HA3 0.315 4.275 3.960 -0.000 0.000 0.302 325 G C -0.603 174.255 174.900 -0.070 0.000 1.159 325 G CA -0.682 44.479 45.100 0.101 0.000 0.865 325 G HN 0.438 nan 8.290 nan 0.000 0.515 326 S N 2.560 118.147 115.700 -0.189 0.000 2.422 326 S HA 0.566 5.036 4.470 -0.000 0.000 0.308 326 S C -2.090 172.226 174.600 -0.473 0.000 1.097 326 S CA -1.119 56.919 58.200 -0.271 0.000 1.099 326 S CB 1.711 64.790 63.200 -0.201 0.000 0.976 326 S HN 0.650 nan 8.310 nan 0.000 0.471 327 P HA 0.153 nan 4.420 nan 0.000 0.274 327 P C -0.412 176.694 177.300 -0.324 0.000 1.237 327 P CA -0.562 62.196 63.100 -0.571 0.000 0.793 327 P CB 0.598 32.007 31.700 -0.485 0.000 0.977 328 W N 2.067 123.194 121.300 -0.288 0.000 2.161 328 W HA 0.172 4.832 4.660 0.000 0.000 0.344 328 W C -1.639 174.776 176.519 -0.173 0.000 1.262 328 W CA -1.405 55.787 57.345 -0.256 0.000 1.270 328 W CB -0.258 29.007 29.460 -0.325 0.000 1.126 328 W HN 0.329 nan 8.180 nan 0.000 0.598 329 P HA 0.086 nan 4.420 nan 0.000 0.267 329 P C 0.137 177.451 177.300 0.024 0.000 1.209 329 P CA 0.137 63.268 63.100 0.051 0.000 0.763 329 P CB 0.616 32.337 31.700 0.034 0.000 0.816 330 G N 2.497 111.307 108.800 0.016 0.000 2.599 330 G HA2 0.394 4.353 3.960 -0.000 0.000 0.264 330 G HA3 0.394 4.353 3.960 -0.000 0.000 0.264 330 G C -0.033 174.860 174.900 -0.011 0.000 1.200 330 G CA -0.554 44.550 45.100 0.006 0.000 0.896 330 G HN 0.362 nan 8.290 nan 0.000 0.536 331 V N 0.000 119.904 119.914 -0.017 0.000 2.409 331 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 331 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 331 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 331 V HN 0.000 nan 8.190 nan 0.000 0.556