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 2hwh_1_B DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.238 175.328 -0.150 0.000 0.993 1 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 1 H CB 0.000 29.705 29.762 -0.095 0.000 1.292 2 H N 0.497 119.589 119.070 0.035 0.000 2.652 2 H HA 0.132 4.688 4.556 -0.001 0.000 0.349 2 H C 1.239 176.501 175.328 -0.109 0.000 1.099 2 H CA 0.633 56.680 56.048 -0.002 0.000 1.417 2 H CB 1.477 31.242 29.762 0.005 0.000 1.457 2 H HN 0.582 nan 8.280 nan 0.000 0.568 3 S N 2.068 117.718 115.700 -0.083 0.000 2.399 3 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 3 S C 0.123 174.353 174.600 -0.616 0.000 1.022 3 S CA 0.939 58.912 58.200 -0.377 0.000 0.983 3 S CB -0.033 62.833 63.200 -0.556 0.000 0.803 3 S HN 0.534 nan 8.310 nan 0.000 0.480 4 Y N 0.648 120.847 120.300 -0.167 0.000 2.597 4 Y HA 0.563 5.113 4.550 -0.001 0.000 0.340 4 Y C -0.325 175.317 175.900 -0.431 0.000 1.097 4 Y CA -0.967 56.896 58.100 -0.396 0.000 1.037 4 Y CB 1.989 40.115 38.460 -0.556 0.000 1.305 4 Y HN 0.108 nan 8.280 nan 0.000 0.463 5 T N -2.192 112.078 114.554 -0.474 0.000 2.921 5 T HA 0.640 4.989 4.350 -0.001 0.000 0.297 5 T C -1.522 172.859 174.700 -0.531 0.000 1.013 5 T CA -0.838 61.071 62.100 -0.319 0.000 0.990 5 T CB 0.821 69.639 68.868 -0.084 0.000 1.023 5 T HN 0.504 nan 8.240 nan 0.000 0.447 6 W N 1.374 122.719 121.300 0.075 0.000 2.666 6 W HA 0.504 5.163 4.660 -0.001 0.000 0.334 6 W C 1.452 177.993 176.519 0.037 0.000 1.051 6 W CA -0.799 56.575 57.345 0.048 0.000 1.224 6 W CB 1.865 31.332 29.460 0.012 0.000 1.405 6 W HN 0.875 nan 8.180 nan 0.000 0.513 7 T N -2.144 112.567 114.554 0.261 0.000 3.035 7 T HA 0.308 4.657 4.350 -0.001 0.000 0.259 7 T C 1.419 176.201 174.700 0.138 0.000 1.078 7 T CA 1.066 63.259 62.100 0.155 0.000 1.132 7 T CB -0.032 68.906 68.868 0.117 0.000 0.900 7 T HN 1.139 nan 8.240 nan 0.000 0.480 8 G N 1.117 110.013 108.800 0.160 0.000 2.380 8 G HA2 0.121 4.080 3.960 -0.001 0.000 0.197 8 G HA3 0.121 4.080 3.960 -0.001 0.000 0.197 8 G C 0.358 175.290 174.900 0.054 0.000 1.001 8 G CA -0.156 44.996 45.100 0.086 0.000 0.668 8 G HN 0.994 nan 8.290 nan 0.000 0.483 9 A N 1.022 123.887 122.820 0.075 0.000 2.483 9 A HA 0.620 4.940 4.320 -0.001 0.000 0.238 9 A C 0.747 178.348 177.584 0.027 0.000 1.070 9 A CA 0.336 52.402 52.037 0.049 0.000 0.770 9 A CB 0.149 19.186 19.000 0.061 0.000 1.008 9 A HN 0.833 nan 8.150 nan 0.000 0.497 10 L N 1.610 122.834 121.223 0.002 0.000 2.439 10 L HA 0.311 4.651 4.340 -0.001 0.000 0.261 10 L C 0.093 176.954 176.870 -0.014 0.000 1.153 10 L CA -0.363 54.460 54.840 -0.028 0.000 0.808 10 L CB 0.807 42.850 42.059 -0.027 0.000 1.126 10 L HN 0.562 nan 8.230 nan 0.000 0.460 11 I N 1.589 122.137 120.570 -0.037 0.000 2.294 11 I HA 0.069 4.239 4.170 -0.001 0.000 0.295 11 I C 0.549 176.665 176.117 -0.002 0.000 1.098 11 I CA -0.186 61.106 61.300 -0.013 0.000 1.277 11 I CB 0.581 38.561 38.000 -0.034 0.000 1.434 11 I HN 0.651 nan 8.210 nan 0.000 0.498 12 T N 5.006 119.566 114.554 0.011 0.000 2.913 12 T HA 0.465 4.814 4.350 -0.001 0.000 0.287 12 T C -2.334 172.382 174.700 0.027 0.000 1.008 12 T CA -1.756 60.354 62.100 0.015 0.000 1.067 12 T CB 1.435 70.312 68.868 0.014 0.000 0.996 12 T HN 0.298 nan 8.240 nan 0.000 0.513 13 P HA 0.260 nan 4.420 nan 0.000 0.282 13 P C 0.618 177.941 177.300 0.038 0.000 1.249 13 P CA -0.833 62.290 63.100 0.038 0.000 0.806 13 P CB 0.821 32.542 31.700 0.036 0.000 0.984 14 C N 0.958 120.285 119.300 0.045 0.000 2.480 14 C HA 0.797 5.256 4.460 -0.001 0.000 0.317 14 C C 0.617 175.627 174.990 0.034 0.000 1.300 14 C CA -0.284 58.758 59.018 0.041 0.000 1.706 14 C CB -1.777 25.995 27.740 0.054 0.000 1.840 14 C HN 0.745 nan 8.230 nan 0.000 0.596 15 A N -0.335 122.506 122.820 0.035 0.000 2.402 15 A HA 0.691 5.010 4.320 -0.001 0.000 0.295 15 A C -0.597 177.012 177.584 0.041 0.000 1.001 15 A CA -0.114 51.945 52.037 0.036 0.000 0.592 15 A CB -0.661 18.362 19.000 0.037 0.000 1.404 15 A HN 1.651 nan 8.150 nan 0.000 0.493 16 A N 0.123 122.970 122.820 0.044 0.000 2.440 16 A HA 0.567 4.887 4.320 -0.001 0.000 0.251 16 A C 0.065 177.690 177.584 0.068 0.000 1.089 16 A CA 0.405 52.473 52.037 0.052 0.000 0.779 16 A CB -0.270 18.759 19.000 0.049 0.000 1.022 16 A HN 0.625 nan 8.150 nan 0.000 0.492 17 E N 1.331 121.576 120.200 0.076 0.000 2.207 17 E HA 0.441 4.790 4.350 -0.001 0.000 0.270 17 E C -1.016 175.665 176.600 0.134 0.000 0.927 17 E CA -0.566 55.893 56.400 0.099 0.000 0.799 17 E CB 1.910 31.657 29.700 0.079 0.000 1.172 17 E HN 0.734 nan 8.360 nan 0.000 0.404 18 E N 0.717 121.043 120.200 0.210 0.000 2.171 18 E HA 0.186 4.536 4.350 -0.001 0.000 0.271 18 E C -0.085 176.744 176.600 0.382 0.000 0.916 18 E CA -0.223 56.344 56.400 0.279 0.000 0.774 18 E CB 1.626 31.523 29.700 0.328 0.000 1.128 18 E HN 0.581 nan 8.360 nan 0.000 0.403 19 S N 2.116 118.005 115.700 0.314 0.000 2.566 19 S HA 0.034 4.503 4.470 -0.001 0.000 0.234 19 S C 0.347 175.194 174.600 0.411 0.000 1.075 19 S CA -0.234 58.162 58.200 0.326 0.000 0.926 19 S CB -0.059 63.275 63.200 0.224 0.000 0.811 19 S HN 0.234 nan 8.310 nan 0.000 0.518 20 K N 2.729 123.302 120.400 0.288 0.000 2.249 20 K HA 0.552 4.872 4.320 -0.001 0.000 0.280 20 K C -0.642 176.022 176.600 0.107 0.000 1.033 20 K CA -0.774 55.644 56.287 0.218 0.000 0.946 20 K CB 0.164 32.734 32.500 0.117 0.000 1.005 20 K HN 0.191 nan 8.250 nan 0.000 0.469 21 L N 3.959 125.254 121.223 0.121 0.000 2.660 21 L HA 0.095 4.434 4.340 -0.001 0.000 0.272 21 L C -2.320 174.340 176.870 -0.350 0.000 1.194 21 L CA -0.927 53.826 54.840 -0.144 0.000 0.945 21 L CB -0.476 41.620 42.059 0.061 0.000 1.212 21 L HN 0.564 nan 8.230 nan 0.000 0.490 22 P HA 0.212 nan 4.420 nan 0.000 0.271 22 P C -0.957 176.126 177.300 -0.361 0.000 1.216 22 P CA 0.006 62.821 63.100 -0.475 0.000 0.776 22 P CB 0.586 31.919 31.700 -0.613 0.000 0.881 23 I N 3.040 123.450 120.570 -0.266 0.000 2.465 23 I HA 0.383 4.552 4.170 -0.001 0.000 0.291 23 I C 0.365 176.378 176.117 -0.174 0.000 1.014 23 I CA -0.659 60.484 61.300 -0.261 0.000 1.093 23 I CB 1.552 39.394 38.000 -0.263 0.000 1.267 23 I HN 0.477 nan 8.210 nan 0.000 0.431 24 N N 4.119 122.729 118.700 -0.150 0.000 3.283 24 N HA 0.462 5.202 4.740 -0.001 0.000 0.338 24 N C 0.350 175.818 175.510 -0.070 0.000 1.517 24 N CA -0.473 52.520 53.050 -0.096 0.000 0.733 24 N CB 0.544 38.978 38.487 -0.089 0.000 1.797 24 N HN 0.380 nan 8.380 nan 0.000 0.637 25 A N -0.698 122.092 122.820 -0.049 0.000 2.119 25 A HA 0.183 4.503 4.320 -0.001 0.000 0.217 25 A C 1.641 179.210 177.584 -0.025 0.000 1.153 25 A CA 0.720 52.738 52.037 -0.032 0.000 0.692 25 A CB -0.880 18.103 19.000 -0.027 0.000 0.799 25 A HN 0.524 nan 8.150 nan 0.000 0.458 26 L N -1.322 119.883 121.223 -0.029 0.000 2.554 26 L HA 0.047 4.387 4.340 -0.001 0.000 0.225 26 L C 2.375 179.268 176.870 0.039 0.000 1.104 26 L CA 0.412 55.252 54.840 -0.000 0.000 0.866 26 L CB -0.162 41.879 42.059 -0.029 0.000 1.047 26 L HN 0.193 nan 8.230 nan 0.000 0.468 27 S N 0.833 116.526 115.700 -0.012 0.000 2.359 27 S HA -0.190 4.279 4.470 -0.001 0.000 0.223 27 S C 1.731 176.366 174.600 0.058 0.000 1.039 27 S CA 1.739 59.923 58.200 -0.028 0.000 1.042 27 S CB -0.346 62.741 63.200 -0.188 0.000 0.915 27 S HN 0.470 nan 8.310 nan 0.000 0.439 28 N N 1.617 120.371 118.700 0.090 0.000 2.205 28 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 28 N C 1.911 177.449 175.510 0.045 0.000 1.015 28 N CA 1.474 54.599 53.050 0.126 0.000 0.862 28 N CB -0.627 37.915 38.487 0.091 0.000 0.986 28 N HN 0.610 nan 8.380 nan 0.000 0.429 29 S N -0.222 115.491 115.700 0.022 0.000 2.447 29 S HA -0.061 4.408 4.470 -0.001 0.000 0.233 29 S C 1.844 176.430 174.600 -0.022 0.000 1.006 29 S CA 0.479 58.660 58.200 -0.032 0.000 0.957 29 S CB -0.183 63.013 63.200 -0.006 0.000 0.773 29 S HN 0.229 nan 8.310 nan 0.000 0.507 30 L N 0.813 122.047 121.223 0.018 0.000 2.262 30 L HA 0.554 4.893 4.340 -0.001 0.000 0.197 30 L C 0.167 177.085 176.870 0.080 0.000 1.073 30 L CA 0.773 55.622 54.840 0.016 0.000 0.800 30 L CB 0.082 41.959 42.059 -0.303 0.000 0.987 30 L HN 0.608 nan 8.230 nan 0.000 0.470 31 L N -3.990 117.275 121.223 0.071 0.000 2.505 31 L HA 0.537 4.877 4.340 -0.001 0.000 0.259 31 L C 0.080 176.986 176.870 0.061 0.000 0.952 31 L CA -0.890 53.981 54.840 0.052 0.000 0.840 31 L CB 1.639 43.744 42.059 0.077 0.000 1.358 31 L HN -0.151 nan 8.230 nan 0.000 0.409 32 R N 0.333 120.746 120.500 -0.145 0.000 2.105 32 R HA 0.136 4.475 4.340 -0.001 0.000 0.214 32 R C 0.374 176.406 176.300 -0.446 0.000 1.091 32 R CA 0.845 56.773 56.100 -0.287 0.000 1.007 32 R CB -0.418 29.753 30.300 -0.215 0.000 0.912 32 R HN 0.783 nan 8.270 nan 0.000 0.450 33 H N 1.351 120.300 119.070 -0.202 0.000 3.563 33 H HA 0.058 4.613 4.556 -0.001 0.000 0.219 33 H C 0.723 176.035 175.328 -0.027 0.000 1.771 33 H CA -0.266 55.702 56.048 -0.134 0.000 1.458 33 H CB -0.472 29.271 29.762 -0.033 0.000 1.796 33 H HN 0.413 nan 8.280 nan 0.000 0.652 34 H N 0.608 119.768 119.070 0.150 0.000 2.387 34 H HA -0.148 4.408 4.556 -0.001 0.000 0.299 34 H C 1.594 176.999 175.328 0.128 0.000 1.099 34 H CA 0.634 56.750 56.048 0.114 0.000 1.315 34 H CB 0.242 30.046 29.762 0.071 0.000 1.380 34 H HN 0.529 nan 8.280 nan 0.000 0.513 35 N N 0.600 119.425 118.700 0.208 0.000 2.519 35 N HA -0.103 4.636 4.740 -0.001 0.000 0.186 35 N C 1.226 176.836 175.510 0.166 0.000 1.062 35 N CA 0.933 54.077 53.050 0.157 0.000 0.910 35 N CB -0.001 38.539 38.487 0.088 0.000 0.958 35 N HN 0.532 nan 8.380 nan 0.000 0.445 36 M N -0.010 119.704 119.600 0.191 0.000 2.556 36 M HA 0.081 4.560 4.480 -0.001 0.000 0.245 36 M C -0.064 176.406 176.300 0.284 0.000 1.128 36 M CA 0.293 55.713 55.300 0.201 0.000 1.069 36 M CB 0.708 33.415 32.600 0.179 0.000 1.469 36 M HN -0.252 nan 8.290 nan 0.000 0.494 37 V N 1.375 121.471 119.914 0.304 0.000 2.398 37 V HA 0.342 4.462 4.120 -0.001 0.000 0.286 37 V C -0.811 175.539 176.094 0.427 0.000 1.026 37 V CA -0.780 61.720 62.300 0.333 0.000 0.868 37 V CB 0.647 32.641 31.823 0.286 0.000 0.982 37 V HN 0.291 nan 8.190 nan 0.000 0.443 38 Y N 2.813 123.254 120.300 0.234 0.000 2.609 38 Y HA 0.948 5.497 4.550 -0.001 0.000 0.342 38 Y C -0.419 175.560 175.900 0.131 0.000 1.058 38 Y CA -1.776 56.466 58.100 0.237 0.000 1.055 38 Y CB 1.754 40.320 38.460 0.177 0.000 1.292 38 Y HN 0.668 nan 8.280 nan 0.000 0.476 39 A N 1.429 124.273 122.820 0.041 0.000 2.356 39 A HA 0.653 4.973 4.320 -0.001 0.000 0.310 39 A C -0.240 177.335 177.584 -0.015 0.000 1.075 39 A CA -0.435 51.424 52.037 -0.296 0.000 0.746 39 A CB 0.456 19.071 19.000 -0.641 0.000 1.221 39 A HN 1.084 nan 8.150 nan 0.000 0.443 40 T N 0.325 114.853 114.554 -0.043 0.000 2.898 40 T HA 0.564 4.914 4.350 -0.001 0.000 0.301 40 T C 0.471 175.200 174.700 0.050 0.000 1.049 40 T CA 0.442 62.608 62.100 0.109 0.000 1.095 40 T CB 0.786 69.743 68.868 0.148 0.000 0.976 40 T HN 1.499 nan 8.240 nan 0.000 0.539 41 T N -2.157 112.444 114.554 0.079 0.000 2.804 41 T HA 0.484 4.833 4.350 -0.001 0.000 0.290 41 T C 1.354 176.082 174.700 0.046 0.000 1.099 41 T CA -0.237 61.897 62.100 0.057 0.000 1.011 41 T CB 1.144 70.055 68.868 0.071 0.000 1.291 41 T HN 0.713 nan 8.240 nan 0.000 0.523 42 S N -0.161 115.560 115.700 0.035 0.000 2.474 42 S HA -0.083 4.387 4.470 -0.001 0.000 0.235 42 S C 1.774 176.379 174.600 0.009 0.000 0.997 42 S CA 0.169 58.380 58.200 0.019 0.000 0.949 42 S CB -0.676 62.534 63.200 0.017 0.000 0.766 42 S HN 0.681 nan 8.310 nan 0.000 0.517 43 R N 1.615 122.129 120.500 0.023 0.000 2.159 43 R HA -0.051 4.288 4.340 -0.001 0.000 0.237 43 R C 1.981 178.283 176.300 0.003 0.000 1.131 43 R CA 1.553 57.661 56.100 0.015 0.000 0.982 43 R CB -0.524 29.795 30.300 0.030 0.000 0.868 43 R HN 0.739 nan 8.270 nan 0.000 0.453 44 S N -1.069 114.638 115.700 0.011 0.000 2.539 44 S HA 0.260 4.729 4.470 -0.001 0.000 0.221 44 S C 1.730 176.313 174.600 -0.028 0.000 0.987 44 S CA 0.144 58.344 58.200 -0.000 0.000 0.929 44 S CB 0.952 64.171 63.200 0.031 0.000 0.832 44 S HN 0.247 nan 8.310 nan 0.000 0.492 45 A N 2.076 124.872 122.820 -0.041 0.000 1.986 45 A HA 0.122 4.441 4.320 -0.001 0.000 0.220 45 A C 2.223 179.712 177.584 -0.159 0.000 1.171 45 A CA 1.651 53.639 52.037 -0.082 0.000 0.640 45 A CB -1.599 17.354 19.000 -0.077 0.000 0.811 45 A HN 0.655 nan 8.150 nan 0.000 0.451 46 G N -0.547 108.162 108.800 -0.151 0.000 2.422 46 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 46 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 46 G C 1.545 176.337 174.900 -0.180 0.000 1.146 46 G CA 0.891 45.871 45.100 -0.201 0.000 0.769 46 G HN 0.433 nan 8.290 nan 0.000 0.547 47 L N -0.102 121.056 121.223 -0.109 0.000 2.027 47 L HA -0.023 4.316 4.340 -0.001 0.000 0.206 47 L C 2.980 179.805 176.870 -0.075 0.000 1.074 47 L CA 1.702 56.498 54.840 -0.074 0.000 0.745 47 L CB -0.255 41.781 42.059 -0.037 0.000 0.898 47 L HN 0.230 nan 8.230 nan 0.000 0.433 48 R N 0.324 120.780 120.500 -0.074 0.000 2.091 48 R HA -0.222 4.118 4.340 -0.001 0.000 0.238 48 R C 2.200 178.436 176.300 -0.106 0.000 1.136 48 R CA 1.765 57.833 56.100 -0.053 0.000 0.959 48 R CB -0.463 29.815 30.300 -0.037 0.000 0.856 48 R HN 0.470 nan 8.270 nan 0.000 0.437 49 Q N -0.142 119.502 119.800 -0.261 0.000 2.181 49 Q HA -0.183 4.156 4.340 -0.001 0.000 0.205 49 Q C 1.856 177.725 176.000 -0.218 0.000 0.980 49 Q CA 1.921 57.447 55.803 -0.462 0.000 0.862 49 Q CB -0.065 28.064 28.738 -1.016 0.000 0.905 49 Q HN 0.401 nan 8.270 nan 0.000 0.429 50 K N 0.656 120.974 120.400 -0.137 0.000 2.076 50 K HA -0.063 4.256 4.320 -0.001 0.000 0.204 50 K C 1.931 178.583 176.600 0.088 0.000 1.051 50 K CA 0.869 57.145 56.287 -0.019 0.000 0.949 50 K CB 0.056 32.537 32.500 -0.032 0.000 0.726 50 K HN 0.058 nan 8.250 nan 0.000 0.443 51 K N 0.889 121.341 120.400 0.086 0.000 2.148 51 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 51 K C 1.903 178.686 176.600 0.305 0.000 1.050 51 K CA 1.396 57.784 56.287 0.169 0.000 0.942 51 K CB 0.013 32.584 32.500 0.119 0.000 0.724 51 K HN 0.118 nan 8.250 nan 0.000 0.446 52 V N -1.825 118.226 119.914 0.228 0.000 3.649 52 V HA 0.079 4.198 4.120 -0.001 0.000 0.275 52 V C 0.325 176.463 176.094 0.072 0.000 1.281 52 V CA 0.063 62.506 62.300 0.237 0.000 1.143 52 V CB 0.046 32.008 31.823 0.231 0.000 0.892 52 V HN -0.063 nan 8.190 nan 0.000 0.441 53 T N 4.548 119.204 114.554 0.169 0.000 2.781 53 T HA 0.722 5.071 4.350 -0.001 0.000 0.305 53 T C -0.780 173.987 174.700 0.110 0.000 1.001 53 T CA -0.029 62.161 62.100 0.151 0.000 0.950 53 T CB 0.154 69.245 68.868 0.372 0.000 0.955 53 T HN 0.610 nan 8.240 nan 0.000 0.471 54 F N -0.118 119.955 119.950 0.205 0.000 2.741 54 F HA 0.626 5.153 4.527 0.000 0.000 0.311 54 F C -1.047 174.919 175.800 0.277 0.000 1.149 54 F CA -1.924 56.183 58.000 0.178 0.000 0.930 54 F CB 0.655 39.737 39.000 0.137 0.000 1.312 54 F HN 0.225 nan 8.300 nan 0.000 0.450 55 D N 0.974 121.745 120.400 0.619 0.000 2.308 55 D HA 0.470 5.109 4.640 -0.001 0.000 0.251 55 D C -0.716 175.799 176.300 0.357 0.000 1.127 55 D CA 0.105 54.380 54.000 0.457 0.000 0.876 55 D CB 0.758 41.763 40.800 0.341 0.000 1.176 55 D HN 0.556 nan 8.370 nan 0.000 0.446 56 R N 2.464 123.108 120.500 0.240 0.000 2.604 56 R HA 0.691 5.030 4.340 -0.001 0.000 0.287 56 R C -0.786 175.525 176.300 0.018 0.000 0.970 56 R CA -0.600 55.598 56.100 0.164 0.000 0.946 56 R CB 1.208 31.590 30.300 0.138 0.000 1.127 56 R HN 0.440 nan 8.270 nan 0.000 0.473 57 L N 1.795 123.007 121.223 -0.019 0.000 2.401 57 L HA 0.509 4.849 4.340 -0.001 0.000 0.266 57 L C -0.739 176.077 176.870 -0.090 0.000 0.991 57 L CA -0.754 54.029 54.840 -0.096 0.000 0.818 57 L CB 2.393 44.413 42.059 -0.064 0.000 1.321 57 L HN 0.442 nan 8.230 nan 0.000 0.413 58 Q N 2.432 122.157 119.800 -0.126 0.000 2.305 58 Q HA 0.541 4.880 4.340 -0.001 0.000 0.271 58 Q C -1.261 174.673 176.000 -0.111 0.000 1.046 58 Q CA -0.689 55.051 55.803 -0.106 0.000 0.798 58 Q CB 3.522 32.185 28.738 -0.126 0.000 1.286 58 Q HN 0.485 nan 8.270 nan 0.000 0.435 59 V N 0.929 120.792 119.914 -0.084 0.000 2.349 59 V HA 0.544 4.664 4.120 -0.001 0.000 0.284 59 V C -0.584 175.484 176.094 -0.045 0.000 1.014 59 V CA -0.822 61.432 62.300 -0.076 0.000 0.826 59 V CB 0.728 32.506 31.823 -0.075 0.000 1.009 59 V HN 0.618 nan 8.190 nan 0.000 0.431 60 L N 5.427 126.587 121.223 -0.105 0.000 2.257 60 L HA 0.608 4.947 4.340 -0.001 0.000 0.290 60 L C 0.090 176.956 176.870 -0.007 0.000 1.044 60 L CA -0.382 54.362 54.840 -0.160 0.000 0.810 60 L CB 1.258 43.041 42.059 -0.459 0.000 1.193 60 L HN 0.847 nan 8.230 nan 0.000 0.425 61 D N 0.525 121.004 120.400 0.131 0.000 2.564 61 D HA 0.123 4.762 4.640 -0.001 0.000 0.273 61 D C 0.398 176.770 176.300 0.120 0.000 1.192 61 D CA -0.649 53.417 54.000 0.109 0.000 1.080 61 D CB 0.735 41.611 40.800 0.126 0.000 1.160 61 D HN 0.267 nan 8.370 nan 0.000 0.607 62 D N -1.317 119.099 120.400 0.026 0.000 2.144 62 D HA -0.153 4.486 4.640 -0.001 0.000 0.199 62 D C 1.775 178.079 176.300 0.007 0.000 0.984 62 D CA 1.070 55.058 54.000 -0.021 0.000 0.834 62 D CB -0.174 40.556 40.800 -0.117 0.000 0.955 62 D HN 0.415 nan 8.370 nan 0.000 0.465 63 H N -0.326 118.809 119.070 0.108 0.000 2.352 63 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 63 H C 2.012 177.381 175.328 0.068 0.000 1.097 63 H CA 1.025 57.128 56.048 0.092 0.000 1.311 63 H CB -0.555 29.285 29.762 0.129 0.000 1.377 63 H HN 0.331 nan 8.280 nan 0.000 0.504 64 Y N 1.881 122.223 120.300 0.069 0.000 2.089 64 Y HA -0.230 4.320 4.550 -0.001 0.000 0.282 64 Y C 2.772 178.626 175.900 -0.077 0.000 1.139 64 Y CA 1.676 59.700 58.100 -0.126 0.000 1.123 64 Y CB -0.165 38.158 38.460 -0.229 0.000 0.980 64 Y HN -0.069 nan 8.280 nan 0.000 0.493 65 R N 0.211 120.806 120.500 0.159 0.000 2.105 65 R HA -0.180 4.160 4.340 -0.001 0.000 0.239 65 R C 1.774 178.052 176.300 -0.036 0.000 1.135 65 R CA 1.587 57.714 56.100 0.045 0.000 0.967 65 R CB -0.401 29.959 30.300 0.099 0.000 0.861 65 R HN 0.471 nan 8.270 nan 0.000 0.442 66 D N 0.021 120.417 120.400 -0.007 0.000 2.117 66 D HA -0.114 4.525 4.640 -0.001 0.000 0.197 66 D C 1.978 178.257 176.300 -0.035 0.000 0.987 66 D CA 1.037 55.032 54.000 -0.008 0.000 0.829 66 D CB -0.201 40.615 40.800 0.027 0.000 0.961 66 D HN 0.020 nan 8.370 nan 0.000 0.460 67 V N 1.202 121.074 119.914 -0.069 0.000 2.358 67 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 67 V C 2.456 178.472 176.094 -0.130 0.000 1.047 67 V CA 0.930 63.172 62.300 -0.096 0.000 1.035 67 V CB -0.432 31.300 31.823 -0.153 0.000 0.658 67 V HN 0.125 nan 8.190 nan 0.000 0.452 68 L N 0.669 121.750 121.223 -0.237 0.000 2.012 68 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 68 L C 2.416 179.215 176.870 -0.117 0.000 1.073 68 L CA 2.270 56.972 54.840 -0.231 0.000 0.748 68 L CB -0.851 41.013 42.059 -0.325 0.000 0.891 68 L HN 0.270 nan 8.230 nan 0.000 0.431 69 K N -0.635 119.715 120.400 -0.083 0.000 2.103 69 K HA -0.213 4.107 4.320 -0.001 0.000 0.207 69 K C 1.935 178.515 176.600 -0.034 0.000 1.048 69 K CA 1.821 58.079 56.287 -0.047 0.000 0.930 69 K CB -0.077 32.405 32.500 -0.029 0.000 0.716 69 K HN 0.534 nan 8.250 nan 0.000 0.444 70 E N 0.118 120.302 120.200 -0.027 0.000 2.047 70 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 70 E C 2.090 178.685 176.600 -0.009 0.000 0.987 70 E CA 1.495 57.891 56.400 -0.007 0.000 0.799 70 E CB -0.059 29.648 29.700 0.012 0.000 0.752 70 E HN 0.333 nan 8.360 nan 0.000 0.449 71 M N 0.638 120.230 119.600 -0.013 0.000 2.117 71 M HA -0.188 4.291 4.480 -0.001 0.000 0.262 71 M C 2.163 178.435 176.300 -0.047 0.000 1.065 71 M CA 1.491 56.777 55.300 -0.024 0.000 1.114 71 M CB -0.174 32.411 32.600 -0.024 0.000 1.361 71 M HN -0.059 nan 8.290 nan 0.000 0.408 72 K N 0.264 120.634 120.400 -0.050 0.000 2.097 72 K HA -0.072 4.248 4.320 -0.001 0.000 0.206 72 K C 2.092 178.673 176.600 -0.031 0.000 1.049 72 K CA 1.325 57.584 56.287 -0.046 0.000 0.933 72 K CB -0.228 32.245 32.500 -0.045 0.000 0.717 72 K HN 0.305 nan 8.250 nan 0.000 0.442 73 A N 1.681 124.486 122.820 -0.025 0.000 1.972 73 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 73 A C 1.818 179.390 177.584 -0.019 0.000 1.169 73 A CA 1.480 53.507 52.037 -0.017 0.000 0.635 73 A CB -0.190 18.803 19.000 -0.012 0.000 0.810 73 A HN 0.190 nan 8.150 nan 0.000 0.446 74 K N -0.552 119.832 120.400 -0.027 0.000 2.076 74 K HA 0.110 4.429 4.320 -0.001 0.000 0.204 74 K C 2.260 178.837 176.600 -0.039 0.000 1.051 74 K CA 0.823 57.090 56.287 -0.034 0.000 0.949 74 K CB -0.254 32.218 32.500 -0.047 0.000 0.726 74 K HN 0.394 nan 8.250 nan 0.000 0.443 75 A N 1.163 123.958 122.820 -0.042 0.000 2.024 75 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 75 A C 2.054 179.629 177.584 -0.015 0.000 1.164 75 A CA 1.679 53.696 52.037 -0.033 0.000 0.643 75 A CB -0.447 18.533 19.000 -0.032 0.000 0.806 75 A HN 0.147 nan 8.150 nan 0.000 0.451 76 S N -0.568 115.123 115.700 -0.014 0.000 2.474 76 S HA -0.090 4.379 4.470 -0.001 0.000 0.235 76 S C 1.972 176.568 174.600 -0.006 0.000 0.997 76 S CA 1.543 59.740 58.200 -0.006 0.000 0.949 76 S CB -0.395 62.801 63.200 -0.006 0.000 0.766 76 S HN 0.913 nan 8.310 nan 0.000 0.517 77 T N -0.705 113.842 114.554 -0.012 0.000 3.100 77 T HA 0.192 4.541 4.350 -0.001 0.000 0.253 77 T C 0.498 175.191 174.700 -0.012 0.000 1.118 77 T CA -0.093 62.000 62.100 -0.011 0.000 1.058 77 T CB -0.271 68.588 68.868 -0.015 0.000 0.953 77 T HN 0.007 nan 8.240 nan 0.000 0.515 78 V N 1.842 121.748 119.914 -0.013 0.000 2.583 78 V HA 0.403 4.522 4.120 -0.001 0.000 0.287 78 V C 0.100 176.193 176.094 -0.001 0.000 1.051 78 V CA -0.732 61.560 62.300 -0.014 0.000 1.010 78 V CB 1.231 33.042 31.823 -0.020 0.000 0.988 78 V HN 0.378 nan 8.190 nan 0.000 0.478 79 K N 3.449 123.848 120.400 -0.001 0.000 2.450 79 K HA 0.736 5.055 4.320 -0.001 0.000 0.257 79 K C -0.684 175.921 176.600 0.009 0.000 0.953 79 K CA -0.404 55.888 56.287 0.008 0.000 0.844 79 K CB 1.474 33.979 32.500 0.007 0.000 1.103 79 K HN 0.841 nan 8.250 nan 0.000 0.429 80 A N 4.103 126.933 122.820 0.017 0.000 2.337 80 A HA 0.495 4.815 4.320 -0.001 0.000 0.329 80 A C -1.013 176.590 177.584 0.032 0.000 1.146 80 A CA -0.865 51.184 52.037 0.019 0.000 0.800 80 A CB 0.793 19.802 19.000 0.016 0.000 1.220 80 A HN 0.828 nan 8.150 nan 0.000 0.472 81 K N 1.431 121.853 120.400 0.036 0.000 2.118 81 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 81 K C -1.140 175.490 176.600 0.049 0.000 0.961 81 K CA -0.740 55.570 56.287 0.039 0.000 0.876 81 K CB 1.314 33.833 32.500 0.032 0.000 1.077 81 K HN 0.377 nan 8.250 nan 0.000 0.440 82 L N 2.947 124.195 121.223 0.041 0.000 2.331 82 L HA 0.245 4.584 4.340 -0.001 0.000 0.278 82 L C -0.860 175.999 176.870 -0.018 0.000 1.106 82 L CA -0.514 54.345 54.840 0.032 0.000 0.824 82 L CB 0.696 42.781 42.059 0.043 0.000 1.142 82 L HN 0.646 nan 8.230 nan 0.000 0.443 83 L N 3.604 124.800 121.223 -0.046 0.000 2.375 83 L HA 0.421 4.761 4.340 -0.001 0.000 0.271 83 L C 0.465 177.230 176.870 -0.174 0.000 1.107 83 L CA 0.376 55.166 54.840 -0.084 0.000 0.806 83 L CB 1.420 43.434 42.059 -0.077 0.000 1.146 83 L HN 0.851 nan 8.230 nan 0.000 0.447 84 S N 1.528 117.136 115.700 -0.154 0.000 2.603 84 S HA 0.209 4.679 4.470 -0.001 0.000 0.268 84 S C 1.257 175.715 174.600 -0.236 0.000 1.317 84 S CA -0.686 57.403 58.200 -0.184 0.000 1.012 84 S CB 1.013 64.142 63.200 -0.118 0.000 0.926 84 S HN 0.362 nan 8.310 nan 0.000 0.539 85 V N 1.623 121.365 119.914 -0.287 0.000 2.332 85 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 85 V C 2.768 178.737 176.094 -0.210 0.000 1.055 85 V CA 2.430 64.534 62.300 -0.326 0.000 1.038 85 V CB -1.319 30.232 31.823 -0.453 0.000 0.651 85 V HN 1.071 nan 8.190 nan 0.000 0.450 86 E N 0.194 120.304 120.200 -0.151 0.000 2.077 86 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 86 E C 2.150 178.681 176.600 -0.116 0.000 0.989 86 E CA 1.692 58.026 56.400 -0.110 0.000 0.800 86 E CB -0.101 29.553 29.700 -0.078 0.000 0.746 86 E HN 0.737 nan 8.360 nan 0.000 0.452 87 E N 0.227 120.350 120.200 -0.128 0.000 2.047 87 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 87 E C 2.115 178.606 176.600 -0.180 0.000 0.987 87 E CA 0.917 57.234 56.400 -0.138 0.000 0.799 87 E CB -0.178 29.444 29.700 -0.129 0.000 0.752 87 E HN 0.383 nan 8.360 nan 0.000 0.449 88 A N 0.910 123.615 122.820 -0.192 0.000 1.908 88 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 88 A C 2.442 179.928 177.584 -0.163 0.000 1.181 88 A CA 1.387 53.304 52.037 -0.200 0.000 0.627 88 A CB -1.008 17.886 19.000 -0.176 0.000 0.818 88 A HN 0.383 nan 8.150 nan 0.000 0.445 89 C N -0.447 118.773 119.300 -0.134 0.000 2.413 89 C HA -0.068 4.391 4.460 -0.001 0.000 0.276 89 C C 2.482 177.418 174.990 -0.090 0.000 1.248 89 C CA 1.287 60.246 59.018 -0.099 0.000 1.742 89 C CB -0.779 26.906 27.740 -0.092 0.000 2.017 89 C HN 0.468 nan 8.230 nan 0.000 0.481 90 K N 0.768 121.111 120.400 -0.095 0.000 2.504 90 K HA 0.126 4.446 4.320 -0.001 0.000 0.195 90 K C 1.378 177.950 176.600 -0.048 0.000 1.036 90 K CA 0.702 56.952 56.287 -0.063 0.000 0.984 90 K CB -0.357 32.108 32.500 -0.058 0.000 0.788 90 K HN 0.556 nan 8.250 nan 0.000 0.488 91 L N 0.530 121.681 121.223 -0.119 0.000 2.607 91 L HA 0.051 4.390 4.340 -0.001 0.000 0.228 91 L C 0.199 177.009 176.870 -0.099 0.000 1.123 91 L CA 0.087 54.833 54.840 -0.156 0.000 0.890 91 L CB 0.055 41.902 42.059 -0.353 0.000 1.103 91 L HN -0.128 nan 8.230 nan 0.000 0.468 92 T N 1.881 116.385 114.554 -0.083 0.000 2.761 92 T HA 0.200 4.550 4.350 -0.001 0.000 0.296 92 T C -2.321 172.287 174.700 -0.154 0.000 0.934 92 T CA -1.117 60.928 62.100 -0.092 0.000 1.091 92 T CB 0.936 69.760 68.868 -0.073 0.000 0.896 92 T HN -0.141 nan 8.240 nan 0.000 0.515 93 P HA 0.090 nan 4.420 nan 0.000 0.265 93 P C -1.823 175.265 177.300 -0.354 0.000 1.193 93 P CA -1.175 61.732 63.100 -0.322 0.000 0.765 93 P CB 0.222 31.834 31.700 -0.147 0.000 0.823 94 P HA -0.193 nan 4.420 nan 0.000 0.216 94 P C 0.250 177.314 177.300 -0.394 0.000 1.154 94 P CA 1.771 64.621 63.100 -0.417 0.000 0.865 94 P CB -0.159 31.302 31.700 -0.398 0.000 0.789 95 H N -2.396 116.558 119.070 -0.193 0.000 2.503 95 H HA 0.310 4.865 4.556 -0.001 0.000 0.296 95 H C 0.460 175.714 175.328 -0.123 0.000 1.097 95 H CA -0.341 55.629 56.048 -0.129 0.000 1.055 95 H CB -0.396 29.305 29.762 -0.102 0.000 1.580 95 H HN -0.018 nan 8.280 nan 0.000 0.546 96 S N 0.984 116.644 115.700 -0.068 0.000 2.573 96 S HA 0.372 4.842 4.470 -0.001 0.000 0.277 96 S C 0.786 175.340 174.600 -0.077 0.000 1.346 96 S CA -0.466 57.683 58.200 -0.085 0.000 1.034 96 S CB 0.287 63.433 63.200 -0.091 0.000 0.879 96 S HN 0.547 nan 8.310 nan 0.000 0.528 97 A N 4.050 126.807 122.820 -0.106 0.000 2.548 97 A HA 0.232 4.552 4.320 -0.001 0.000 0.247 97 A C 0.572 178.131 177.584 -0.041 0.000 1.067 97 A CA -0.058 51.938 52.037 -0.069 0.000 0.757 97 A CB -0.383 18.561 19.000 -0.092 0.000 0.996 97 A HN 0.866 nan 8.150 nan 0.000 0.504 98 K N 2.468 122.836 120.400 -0.054 0.000 2.276 98 K HA 0.316 4.636 4.320 -0.001 0.000 0.259 98 K C 0.412 176.921 176.600 -0.152 0.000 1.001 98 K CA 0.138 56.360 56.287 -0.109 0.000 0.927 98 K CB 0.452 32.888 32.500 -0.106 0.000 0.969 98 K HN 0.476 nan 8.250 nan 0.000 0.490 99 S N 0.445 115.946 115.700 -0.332 0.000 2.614 99 S HA 0.076 4.546 4.470 -0.001 0.000 0.265 99 S C 0.297 174.684 174.600 -0.354 0.000 1.303 99 S CA -0.567 57.405 58.200 -0.381 0.000 1.000 99 S CB 0.554 63.230 63.200 -0.872 0.000 0.935 99 S HN 0.685 nan 8.310 nan 0.000 0.551 100 K N 1.600 121.748 120.400 -0.419 0.000 2.446 100 K HA 0.169 4.488 4.320 -0.001 0.000 0.203 100 K C -0.675 175.450 176.600 -0.792 0.000 1.027 100 K CA 0.195 56.145 56.287 -0.560 0.000 1.166 100 K CB 0.032 32.173 32.500 -0.600 0.000 0.869 100 K HN 0.550 nan 8.250 nan 0.000 0.504 101 F N 0.339 120.129 119.950 -0.266 0.000 2.855 101 F HA 0.258 4.784 4.527 -0.001 0.000 0.317 101 F C 0.934 176.669 175.800 -0.108 0.000 1.169 101 F CA -0.683 57.180 58.000 -0.228 0.000 1.299 101 F CB 1.120 39.842 39.000 -0.463 0.000 0.962 101 F HN 0.086 nan 8.300 nan 0.000 0.506 102 G N 0.981 109.774 108.800 -0.011 0.000 2.204 102 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.244 102 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.244 102 G C -0.526 174.500 174.900 0.211 0.000 1.062 102 G CA 0.094 45.243 45.100 0.083 0.000 0.798 102 G HN 0.684 nan 8.290 nan 0.000 0.496 103 Y N -3.392 116.900 120.300 -0.014 0.000 2.638 103 Y HA 0.623 5.173 4.550 -0.001 0.000 0.334 103 Y C 0.199 176.094 175.900 -0.009 0.000 1.182 103 Y CA -0.906 57.188 58.100 -0.009 0.000 1.102 103 Y CB 0.223 38.683 38.460 0.001 0.000 1.343 103 Y HN 0.852 nan 8.280 nan 0.000 0.463 104 G N 0.172 109.019 108.800 0.078 0.000 2.932 104 G HA2 0.573 4.532 3.960 -0.001 0.000 0.283 104 G HA3 0.573 4.532 3.960 -0.001 0.000 0.283 104 G C 0.340 175.275 174.900 0.058 0.000 1.336 104 G CA -0.806 44.287 45.100 -0.012 0.000 1.056 104 G HN 1.337 nan 8.290 nan 0.000 0.522 105 A N -0.537 122.271 122.820 -0.020 0.000 2.019 105 A HA -0.031 4.289 4.320 -0.001 0.000 0.219 105 A C 2.162 179.708 177.584 -0.063 0.000 1.164 105 A CA 2.297 54.311 52.037 -0.039 0.000 0.644 105 A CB -0.348 18.589 19.000 -0.104 0.000 0.805 105 A HN 0.491 nan 8.150 nan 0.000 0.449 106 K N 0.523 120.874 120.400 -0.081 0.000 2.097 106 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 106 K C 1.377 177.953 176.600 -0.039 0.000 1.050 106 K CA 1.790 58.021 56.287 -0.094 0.000 0.938 106 K CB -0.295 32.141 32.500 -0.106 0.000 0.718 106 K HN 0.487 nan 8.250 nan 0.000 0.442 107 D N -0.349 120.061 120.400 0.016 0.000 2.144 107 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 107 D C 1.883 178.191 176.300 0.013 0.000 0.978 107 D CA 1.095 55.115 54.000 0.034 0.000 0.833 107 D CB 0.018 40.885 40.800 0.112 0.000 0.961 107 D HN 0.014 nan 8.370 nan 0.000 0.470 108 V N 1.516 121.463 119.914 0.054 0.000 2.295 108 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 108 V C 2.470 178.545 176.094 -0.033 0.000 1.049 108 V CA 1.562 63.873 62.300 0.019 0.000 1.024 108 V CB -0.374 31.493 31.823 0.073 0.000 0.648 108 V HN 0.125 nan 8.190 nan 0.000 0.447 109 R N 0.084 120.556 120.500 -0.047 0.000 2.152 109 R HA -0.113 4.227 4.340 -0.001 0.000 0.232 109 R C 1.724 177.992 176.300 -0.053 0.000 1.117 109 R CA 1.595 57.657 56.100 -0.064 0.000 0.981 109 R CB -0.388 29.855 30.300 -0.094 0.000 0.870 109 R HN 0.635 nan 8.270 nan 0.000 0.451 110 N N 0.376 119.048 118.700 -0.047 0.000 2.336 110 N HA 0.122 4.861 4.740 -0.001 0.000 0.189 110 N C -0.189 175.297 175.510 -0.041 0.000 1.113 110 N CA -0.065 52.960 53.050 -0.040 0.000 0.858 110 N CB 0.362 38.828 38.487 -0.036 0.000 0.970 110 N HN 0.013 nan 8.380 nan 0.000 0.471 111 L N 0.755 121.948 121.223 -0.049 0.000 3.865 111 L HA -0.235 4.104 4.340 -0.001 0.000 0.408 111 L C 0.126 176.963 176.870 -0.056 0.000 1.209 111 L CA -0.241 54.565 54.840 -0.056 0.000 0.940 111 L CB -2.571 39.459 42.059 -0.048 0.000 1.971 111 L HN 0.236 nan 8.230 nan 0.000 0.899 112 S N -0.569 115.096 115.700 -0.058 0.000 2.558 112 S HA 0.156 4.625 4.470 -0.001 0.000 0.293 112 S C 1.554 176.110 174.600 -0.073 0.000 1.292 112 S CA 0.065 58.232 58.200 -0.055 0.000 1.063 112 S CB 1.598 64.771 63.200 -0.045 0.000 0.831 112 S HN 0.505 nan 8.310 nan 0.000 0.499 113 S N 3.270 118.940 115.700 -0.051 0.000 2.402 113 S HA -0.257 4.213 4.470 -0.001 0.000 0.233 113 S C 1.668 176.228 174.600 -0.065 0.000 1.030 113 S CA 1.355 59.528 58.200 -0.045 0.000 1.003 113 S CB -0.593 62.590 63.200 -0.028 0.000 0.813 113 S HN 0.871 nan 8.310 nan 0.000 0.477 114 K N 1.641 121.993 120.400 -0.080 0.000 2.025 114 K HA 0.023 4.342 4.320 -0.001 0.000 0.207 114 K C 2.418 178.850 176.600 -0.280 0.000 1.049 114 K CA 1.135 57.360 56.287 -0.103 0.000 0.933 114 K CB -0.624 31.847 32.500 -0.049 0.000 0.714 114 K HN 0.436 nan 8.250 nan 0.000 0.438 115 A N 0.550 123.099 122.820 -0.453 0.000 1.873 115 A HA -0.099 4.220 4.320 -0.001 0.000 0.215 115 A C 2.228 179.535 177.584 -0.461 0.000 1.186 115 A CA 1.554 53.031 52.037 -0.933 0.000 0.616 115 A CB -0.628 17.993 19.000 -0.631 0.000 0.823 115 A HN 0.181 nan 8.150 nan 0.000 0.442 116 V N 1.006 120.786 119.914 -0.224 0.000 2.427 116 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 116 V C 2.197 178.297 176.094 0.010 0.000 1.051 116 V CA 2.096 64.332 62.300 -0.107 0.000 1.048 116 V CB -0.967 30.835 31.823 -0.035 0.000 0.666 116 V HN 0.546 nan 8.190 nan 0.000 0.456 117 N N -0.664 118.043 118.700 0.013 0.000 2.188 117 N HA -0.155 4.584 4.740 -0.001 0.000 0.184 117 N C 1.838 177.383 175.510 0.059 0.000 1.018 117 N CA 1.301 54.393 53.050 0.069 0.000 0.858 117 N CB -0.525 37.977 38.487 0.025 0.000 0.989 117 N HN 0.631 nan 8.380 nan 0.000 0.426 118 H N 0.751 119.765 119.070 -0.093 0.000 2.357 118 H HA 0.068 4.624 4.556 -0.001 0.000 0.301 118 H C 1.950 177.254 175.328 -0.039 0.000 1.082 118 H CA 0.933 56.938 56.048 -0.071 0.000 1.342 118 H CB 0.063 29.792 29.762 -0.055 0.000 1.389 118 H HN 0.121 nan 8.280 nan 0.000 0.511 119 I N 0.233 120.731 120.570 -0.121 0.000 2.226 119 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 119 I C 2.299 178.331 176.117 -0.142 0.000 1.100 119 I CA 1.478 62.689 61.300 -0.149 0.000 1.374 119 I CB -0.448 37.452 38.000 -0.166 0.000 1.057 119 I HN 0.314 nan 8.210 nan 0.000 0.413 120 H N -0.638 118.392 119.070 -0.067 0.000 2.421 120 H HA -0.160 4.396 4.556 -0.001 0.000 0.298 120 H C 2.544 177.876 175.328 0.007 0.000 1.087 120 H CA 1.724 57.767 56.048 -0.009 0.000 1.330 120 H CB 0.038 29.782 29.762 -0.031 0.000 1.388 120 H HN 0.225 nan 8.280 nan 0.000 0.526 121 S N -0.186 115.525 115.700 0.020 0.000 2.368 121 S HA -0.138 4.332 4.470 -0.001 0.000 0.225 121 S C 2.236 176.764 174.600 -0.121 0.000 1.030 121 S CA 1.352 59.511 58.200 -0.069 0.000 0.999 121 S CB -0.451 62.659 63.200 -0.150 0.000 0.844 121 S HN 0.210 nan 8.310 nan 0.000 0.459 122 V N 1.170 120.951 119.914 -0.222 0.000 2.358 122 V HA -0.109 4.010 4.120 -0.001 0.000 0.246 122 V C 2.106 178.188 176.094 -0.020 0.000 1.047 122 V CA 1.697 63.893 62.300 -0.173 0.000 1.035 122 V CB -1.025 30.673 31.823 -0.210 0.000 0.658 122 V HN 0.707 nan 8.190 nan 0.000 0.452 123 W N 1.711 122.935 121.300 -0.127 0.000 2.355 123 W HA -0.236 4.423 4.660 -0.001 0.000 0.309 123 W C 2.536 179.025 176.519 -0.050 0.000 1.206 123 W CA 2.393 59.692 57.345 -0.077 0.000 1.284 123 W CB -0.161 29.256 29.460 -0.071 0.000 1.145 123 W HN 0.249 nan 8.180 nan 0.000 0.502 124 K N 0.676 121.126 120.400 0.084 0.000 2.063 124 K HA -0.286 4.033 4.320 -0.001 0.000 0.208 124 K C 1.711 178.248 176.600 -0.105 0.000 1.048 124 K CA 2.355 58.635 56.287 -0.013 0.000 0.928 124 K CB -0.695 31.833 32.500 0.047 0.000 0.713 124 K HN 0.041 nan 8.250 nan 0.000 0.442 125 D N 0.149 120.492 120.400 -0.095 0.000 2.178 125 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 125 D C 1.961 178.172 176.300 -0.148 0.000 0.980 125 D CA 0.798 54.735 54.000 -0.104 0.000 0.842 125 D CB 0.116 40.861 40.800 -0.092 0.000 0.948 125 D HN 0.243 nan 8.370 nan 0.000 0.472 126 L N -0.167 120.925 121.223 -0.219 0.000 2.109 126 L HA -0.070 4.270 4.340 -0.001 0.000 0.207 126 L C 2.296 178.982 176.870 -0.306 0.000 1.086 126 L CA 0.531 55.204 54.840 -0.278 0.000 0.760 126 L CB -0.228 41.595 42.059 -0.395 0.000 0.910 126 L HN 0.213 nan 8.230 nan 0.000 0.437 127 L N -0.750 120.256 121.223 -0.362 0.000 2.156 127 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 127 L C 2.171 178.943 176.870 -0.163 0.000 1.095 127 L CA 1.113 55.780 54.840 -0.288 0.000 0.770 127 L CB -0.323 41.561 42.059 -0.291 0.000 0.914 127 L HN 0.322 nan 8.230 nan 0.000 0.439 128 E N -1.154 118.966 120.200 -0.133 0.000 2.276 128 E HA -0.027 4.322 4.350 -0.001 0.000 0.193 128 E C 0.281 176.836 176.600 -0.076 0.000 0.983 128 E CA 0.079 56.428 56.400 -0.086 0.000 0.861 128 E CB 0.396 30.057 29.700 -0.065 0.000 0.817 128 E HN 0.187 nan 8.360 nan 0.000 0.485 129 D N 0.830 121.177 120.400 -0.088 0.000 2.408 129 D HA 0.067 4.706 4.640 -0.001 0.000 0.243 129 D C -0.182 176.070 176.300 -0.080 0.000 1.075 129 D CA -0.227 53.731 54.000 -0.070 0.000 0.832 129 D CB 1.503 42.266 40.800 -0.062 0.000 1.162 129 D HN -0.023 nan 8.370 nan 0.000 0.515 130 T N 0.466 114.982 114.554 -0.064 0.000 3.296 130 T HA 0.279 4.628 4.350 -0.001 0.000 0.285 130 T C 0.782 175.456 174.700 -0.043 0.000 1.014 130 T CA -0.239 61.824 62.100 -0.063 0.000 0.920 130 T CB 0.144 68.978 68.868 -0.056 0.000 1.143 130 T HN 0.144 nan 8.240 nan 0.000 0.522 131 V N -0.034 119.859 119.914 -0.036 0.000 3.229 131 V HA 0.205 4.325 4.120 -0.001 0.000 0.239 131 V C 0.874 176.961 176.094 -0.012 0.000 1.390 131 V CA 0.226 62.514 62.300 -0.021 0.000 1.231 131 V CB 0.415 32.228 31.823 -0.018 0.000 1.025 131 V HN 0.480 nan 8.190 nan 0.000 0.461 132 T N 4.321 118.865 114.554 -0.016 0.000 2.761 132 T HA 0.197 4.547 4.350 -0.001 0.000 0.287 132 T C -2.439 172.262 174.700 0.002 0.000 0.931 132 T CA -0.529 61.569 62.100 -0.003 0.000 1.164 132 T CB 0.648 69.512 68.868 -0.006 0.000 0.876 132 T HN 0.171 nan 8.240 nan 0.000 0.534 133 P HA 0.114 nan 4.420 nan 0.000 0.264 133 P C -0.149 177.159 177.300 0.014 0.000 1.183 133 P CA -0.035 63.087 63.100 0.036 0.000 0.763 133 P CB 0.370 32.140 31.700 0.118 0.000 0.807 134 I N 2.154 122.715 120.570 -0.015 0.000 2.396 134 I HA 0.169 4.338 4.170 -0.001 0.000 0.292 134 I C 0.898 177.007 176.117 -0.013 0.000 0.999 134 I CA -0.491 60.803 61.300 -0.010 0.000 1.310 134 I CB 0.923 38.906 38.000 -0.028 0.000 1.404 134 I HN 0.320 nan 8.210 nan 0.000 0.496 135 D N 4.022 124.428 120.400 0.011 0.000 2.399 135 D HA 0.247 4.886 4.640 -0.001 0.000 0.241 135 D C -0.301 175.972 176.300 -0.045 0.000 1.133 135 D CA 0.259 54.252 54.000 -0.012 0.000 0.890 135 D CB 0.873 41.680 40.800 0.011 0.000 1.201 135 D HN 0.656 nan 8.370 nan 0.000 0.432 136 T N -0.954 113.543 114.554 -0.095 0.000 2.896 136 T HA 0.614 4.963 4.350 -0.001 0.000 0.297 136 T C -0.508 174.040 174.700 -0.254 0.000 1.108 136 T CA -0.937 61.065 62.100 -0.164 0.000 1.004 136 T CB 1.596 70.388 68.868 -0.128 0.000 1.159 136 T HN 0.210 nan 8.240 nan 0.000 0.499 137 T N 1.996 116.240 114.554 -0.516 0.000 2.823 137 T HA 0.610 4.960 4.350 -0.001 0.000 0.279 137 T C -0.587 173.812 174.700 -0.502 0.000 0.998 137 T CA -0.596 61.159 62.100 -0.576 0.000 0.994 137 T CB 0.823 69.159 68.868 -0.887 0.000 0.960 137 T HN 0.729 nan 8.240 nan 0.000 0.448 138 I N 4.361 124.820 120.570 -0.184 0.000 2.378 138 I HA 0.546 4.715 4.170 -0.001 0.000 0.291 138 I C -1.007 175.142 176.117 0.052 0.000 0.992 138 I CA -0.741 60.549 61.300 -0.016 0.000 1.154 138 I CB 0.604 38.643 38.000 0.065 0.000 1.315 138 I HN 0.417 nan 8.210 nan 0.000 0.448 139 M N 6.438 126.123 119.600 0.142 0.000 2.550 139 M HA 0.502 4.982 4.480 -0.001 0.000 0.292 139 M C -0.679 175.691 176.300 0.116 0.000 1.221 139 M CA -0.605 54.785 55.300 0.150 0.000 0.873 139 M CB 1.894 34.644 32.600 0.251 0.000 1.727 139 M HN 0.591 nan 8.290 nan 0.000 0.459 140 A N 2.390 125.256 122.820 0.075 0.000 2.289 140 A HA 0.517 4.837 4.320 -0.001 0.000 0.298 140 A C -0.090 177.526 177.584 0.052 0.000 1.208 140 A CA -0.514 51.556 52.037 0.055 0.000 0.845 140 A CB 0.343 19.362 19.000 0.032 0.000 1.125 140 A HN 0.766 nan 8.150 nan 0.000 0.517 141 K N 1.841 122.272 120.400 0.051 0.000 2.237 141 K HA 0.115 4.434 4.320 -0.001 0.000 0.270 141 K C -0.615 175.976 176.600 -0.016 0.000 1.015 141 K CA 0.052 56.350 56.287 0.019 0.000 0.949 141 K CB 0.576 33.090 32.500 0.024 0.000 0.976 141 K HN 0.760 nan 8.250 nan 0.000 0.472 142 N N 2.592 121.251 118.700 -0.068 0.000 2.589 142 N HA 0.080 4.820 4.740 -0.001 0.000 0.232 142 N C -1.209 174.142 175.510 -0.265 0.000 1.015 142 N CA -0.271 52.697 53.050 -0.138 0.000 0.931 142 N CB 0.870 39.281 38.487 -0.126 0.000 1.150 142 N HN 0.366 nan 8.380 nan 0.000 0.512 143 E N 0.812 120.828 120.200 -0.307 0.000 2.207 143 E HA 0.429 4.778 4.350 -0.001 0.000 0.270 143 E C -0.677 175.432 176.600 -0.819 0.000 0.927 143 E CA -0.991 55.087 56.400 -0.536 0.000 0.799 143 E CB 2.447 31.863 29.700 -0.473 0.000 1.172 143 E HN 0.077 nan 8.360 nan 0.000 0.404 144 V N 3.269 122.599 119.914 -0.974 0.000 2.439 144 V HA 0.418 4.538 4.120 -0.001 0.000 0.282 144 V C -0.722 174.758 176.094 -1.023 0.000 1.039 144 V CA -0.137 61.627 62.300 -0.893 0.000 0.913 144 V CB 0.146 31.591 31.823 -0.630 0.000 0.983 144 V HN 0.518 nan 8.190 nan 0.000 0.460 145 F N 2.219 121.857 119.950 -0.521 0.000 2.849 145 F HA 0.690 5.217 4.527 -0.000 0.000 0.341 145 F C 0.055 175.763 175.800 -0.152 0.000 1.185 145 F CA -0.836 56.954 58.000 -0.350 0.000 1.007 145 F CB 1.271 40.040 39.000 -0.385 0.000 1.454 145 F HN 0.523 nan 8.300 nan 0.000 0.518 146 C N 1.967 121.454 119.300 0.313 0.000 2.561 146 C HA 0.814 5.274 4.460 -0.001 0.000 0.319 146 C C -0.410 174.826 174.990 0.410 0.000 1.198 146 C CA -0.784 58.425 59.018 0.319 0.000 1.665 146 C CB 0.441 28.293 27.740 0.186 0.000 2.258 146 C HN 0.711 nan 8.230 nan 0.000 0.493 147 V N 4.508 124.627 119.914 0.341 0.000 2.788 147 V HA 0.266 4.386 4.120 -0.001 0.000 0.307 147 V C 0.273 176.428 176.094 0.102 0.000 1.069 147 V CA 0.428 62.828 62.300 0.166 0.000 1.173 147 V CB -0.349 31.510 31.823 0.059 0.000 0.925 147 V HN 1.292 nan 8.190 nan 0.000 0.492 155 K N 2.446 122.910 120.400 0.107 0.000 2.144 155 K HA 0.490 4.809 4.320 -0.001 0.000 0.270 155 K C -2.233 174.434 176.600 0.113 0.000 1.005 155 K CA -1.550 54.763 56.287 0.044 0.000 0.932 155 K CB 1.191 33.634 32.500 -0.096 0.000 1.021 155 K HN 0.164 nan 8.250 nan 0.000 0.462 156 P HA 0.017 nan 4.420 nan 0.000 0.272 156 P C -0.506 176.850 177.300 0.094 0.000 1.223 156 P CA -0.345 62.796 63.100 0.069 0.000 0.784 156 P CB 0.870 32.586 31.700 0.027 0.000 0.923 157 A N 3.791 126.669 122.820 0.095 0.000 2.507 157 A HA 0.093 4.413 4.320 -0.001 0.000 0.235 157 A C 0.667 178.301 177.584 0.084 0.000 1.070 157 A CA 0.044 52.141 52.037 0.101 0.000 0.768 157 A CB -0.206 18.836 19.000 0.069 0.000 1.011 157 A HN 0.510 nan 8.150 nan 0.000 0.502 158 R N 0.260 120.823 120.500 0.104 0.000 2.532 158 R HA 0.529 4.868 4.340 -0.001 0.000 0.272 158 R C -0.738 175.614 176.300 0.088 0.000 1.032 158 R CA -0.505 55.656 56.100 0.101 0.000 1.089 158 R CB 0.741 31.117 30.300 0.126 0.000 1.098 158 R HN 0.671 nan 8.270 nan 0.000 0.526 159 L N 2.694 123.974 121.223 0.095 0.000 2.322 159 L HA 0.496 4.836 4.340 -0.001 0.000 0.279 159 L C -0.344 176.614 176.870 0.146 0.000 1.036 159 L CA -0.949 53.953 54.840 0.103 0.000 0.807 159 L CB 1.300 43.408 42.059 0.081 0.000 1.226 159 L HN 0.441 nan 8.230 nan 0.000 0.433 160 I N 2.985 123.659 120.570 0.173 0.000 2.418 160 I HA 0.440 4.610 4.170 -0.001 0.000 0.287 160 I C -0.789 175.515 176.117 0.312 0.000 1.008 160 I CA -0.331 61.109 61.300 0.233 0.000 1.104 160 I CB 1.812 39.938 38.000 0.210 0.000 1.264 160 I HN 0.193 nan 8.210 nan 0.000 0.438 161 V N 9.037 129.128 119.914 0.294 0.000 2.378 161 V HA 0.589 4.709 4.120 -0.001 0.000 0.288 161 V C -0.703 175.562 176.094 0.285 0.000 1.016 161 V CA -0.491 61.931 62.300 0.204 0.000 0.840 161 V CB 0.929 32.843 31.823 0.150 0.000 0.994 161 V HN 0.585 nan 8.190 nan 0.000 0.431 162 F N 4.944 124.938 119.950 0.073 0.000 2.601 162 F HA 0.948 5.474 4.527 -0.001 0.000 0.309 162 F C -3.065 172.773 175.800 0.063 0.000 1.089 162 F CA -2.854 55.190 58.000 0.073 0.000 0.940 162 F CB 1.776 40.814 39.000 0.063 0.000 1.273 162 F HN 0.284 nan 8.300 nan 0.000 0.450 163 P HA 0.187 nan 4.420 nan 0.000 0.280 163 P C -1.067 176.349 177.300 0.193 0.000 1.272 163 P CA -0.187 62.974 63.100 0.101 0.000 0.819 163 P CB 1.384 33.151 31.700 0.111 0.000 1.122 164 D N -0.461 120.035 120.400 0.161 0.000 2.419 164 D HA -0.074 4.565 4.640 -0.001 0.000 0.236 164 D C 1.403 177.837 176.300 0.223 0.000 1.165 164 D CA -0.268 53.855 54.000 0.205 0.000 0.882 164 D CB 0.295 41.265 40.800 0.284 0.000 1.201 164 D HN 0.098 nan 8.370 nan 0.000 0.443 165 L N 3.635 124.966 121.223 0.180 0.000 2.051 165 L HA -0.077 4.262 4.340 -0.001 0.000 0.214 165 L C 2.075 179.081 176.870 0.227 0.000 1.076 165 L CA 2.671 57.603 54.840 0.154 0.000 0.758 165 L CB -1.156 40.933 42.059 0.050 0.000 0.890 165 L HN 0.691 nan 8.230 nan 0.000 0.433 166 G N -1.384 107.620 108.800 0.339 0.000 2.440 166 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 166 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 166 G C 1.550 176.569 174.900 0.199 0.000 1.154 166 G CA 1.117 46.440 45.100 0.372 0.000 0.767 166 G HN 0.368 nan 8.290 nan 0.000 0.552 167 V N 0.731 120.756 119.914 0.185 0.000 2.427 167 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 167 V C 2.927 179.105 176.094 0.140 0.000 1.051 167 V CA 1.850 64.230 62.300 0.133 0.000 1.048 167 V CB -0.447 31.445 31.823 0.114 0.000 0.666 167 V HN 0.336 nan 8.190 nan 0.000 0.456 168 R N -0.276 120.315 120.500 0.151 0.000 2.091 168 R HA -0.128 4.211 4.340 -0.001 0.000 0.238 168 R C 2.219 178.582 176.300 0.106 0.000 1.136 168 R CA 1.499 57.681 56.100 0.136 0.000 0.959 168 R CB -0.634 29.740 30.300 0.124 0.000 0.856 168 R HN 0.429 nan 8.270 nan 0.000 0.437 169 V N 0.384 120.353 119.914 0.092 0.000 2.427 169 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 169 V C 2.468 178.586 176.094 0.040 0.000 1.051 169 V CA 1.476 63.798 62.300 0.037 0.000 1.048 169 V CB -0.437 31.399 31.823 0.022 0.000 0.666 169 V HN 0.442 nan 8.190 nan 0.000 0.456 170 C N -0.181 119.188 119.300 0.114 0.000 2.440 170 C HA -0.114 4.345 4.460 -0.001 0.000 0.278 170 C C 2.653 177.816 174.990 0.287 0.000 1.295 170 C CA 0.694 59.860 59.018 0.247 0.000 1.738 170 C CB -0.939 27.017 27.740 0.360 0.000 1.987 170 C HN 0.613 nan 8.230 nan 0.000 0.492 171 E N 0.915 121.238 120.200 0.206 0.000 2.085 171 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 171 E C 2.169 178.885 176.600 0.193 0.000 0.994 171 E CA 1.175 57.706 56.400 0.219 0.000 0.801 171 E CB -0.122 29.713 29.700 0.226 0.000 0.743 171 E HN 0.632 nan 8.360 nan 0.000 0.453 172 K N 0.400 120.881 120.400 0.135 0.000 2.009 172 K HA -0.138 4.182 4.320 -0.001 0.000 0.210 172 K C 2.255 178.907 176.600 0.088 0.000 1.049 172 K CA 1.560 57.913 56.287 0.109 0.000 0.929 172 K CB -0.184 32.306 32.500 -0.017 0.000 0.714 172 K HN 0.118 nan 8.250 nan 0.000 0.440 173 M N 0.334 119.932 119.600 -0.005 0.000 2.082 173 M HA -0.218 4.262 4.480 -0.001 0.000 0.258 173 M C 2.399 178.721 176.300 0.037 0.000 1.069 173 M CA 1.945 57.177 55.300 -0.113 0.000 1.102 173 M CB -0.427 31.898 32.600 -0.459 0.000 1.336 173 M HN 0.243 nan 8.290 nan 0.000 0.404 174 A N -0.844 122.114 122.820 0.229 0.000 2.030 174 A HA 0.145 4.465 4.320 -0.001 0.000 0.215 174 A C 1.830 179.512 177.584 0.164 0.000 1.164 174 A CA 0.866 53.089 52.037 0.310 0.000 0.697 174 A CB -0.067 19.197 19.000 0.439 0.000 0.827 174 A HN 0.492 nan 8.150 nan 0.000 0.457 175 L N -3.329 117.976 121.223 0.137 0.000 2.993 175 L HA 0.187 4.527 4.340 -0.001 0.000 0.264 175 L C 1.860 178.765 176.870 0.059 0.000 1.154 175 L CA 0.044 54.909 54.840 0.042 0.000 0.972 175 L CB -0.049 42.002 42.059 -0.012 0.000 1.373 175 L HN 0.405 nan 8.230 nan 0.000 0.564 176 Y N 1.743 122.054 120.300 0.018 0.000 2.069 176 Y HA -0.379 4.171 4.550 -0.001 0.000 0.278 176 Y C 2.238 178.165 175.900 0.045 0.000 1.175 176 Y CA 2.413 60.535 58.100 0.036 0.000 1.134 176 Y CB 0.003 38.470 38.460 0.011 0.000 0.965 176 Y HN 0.234 nan 8.280 nan 0.000 0.498 177 D N -0.842 119.599 120.400 0.069 0.000 2.144 177 D HA -0.161 4.479 4.640 -0.001 0.000 0.199 177 D C 2.210 178.457 176.300 -0.087 0.000 0.984 177 D CA 1.364 55.352 54.000 -0.020 0.000 0.834 177 D CB -0.217 40.620 40.800 0.061 0.000 0.955 177 D HN 0.273 nan 8.370 nan 0.000 0.465 178 V N 0.364 120.233 119.914 -0.074 0.000 2.261 178 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 178 V C 2.626 178.633 176.094 -0.145 0.000 1.047 178 V CA 1.781 64.020 62.300 -0.101 0.000 1.015 178 V CB -0.545 31.193 31.823 -0.141 0.000 0.642 178 V HN 0.345 nan 8.190 nan 0.000 0.446 179 V N -2.749 117.060 119.914 -0.176 0.000 3.141 179 V HA -0.034 4.085 4.120 -0.001 0.000 0.265 179 V C 1.942 177.920 176.094 -0.193 0.000 1.126 179 V CA 1.905 64.101 62.300 -0.173 0.000 1.141 179 V CB -0.162 31.579 31.823 -0.137 0.000 0.743 179 V HN 0.440 nan 8.190 nan 0.000 0.492 180 S N 0.912 116.487 115.700 -0.209 0.000 2.458 180 S HA -0.015 4.455 4.470 -0.001 0.000 0.223 180 S C 1.909 176.433 174.600 -0.128 0.000 1.019 180 S CA 1.351 59.447 58.200 -0.175 0.000 0.937 180 S CB 0.147 63.185 63.200 -0.270 0.000 0.788 180 S HN 0.940 nan 8.310 nan 0.000 0.511 181 T N -0.866 113.606 114.554 -0.137 0.000 2.987 181 T HA 0.217 4.567 4.350 -0.001 0.000 0.248 181 T C 1.653 176.256 174.700 -0.162 0.000 0.997 181 T CA -0.003 62.026 62.100 -0.119 0.000 1.013 181 T CB -0.514 68.309 68.868 -0.075 0.000 1.077 181 T HN 0.129 nan 8.240 nan 0.000 0.483 182 L N 2.795 123.923 121.223 -0.157 0.000 2.042 182 L HA 0.171 4.510 4.340 -0.001 0.000 0.210 182 L C -0.963 175.742 176.870 -0.275 0.000 1.076 182 L CA 2.026 56.772 54.840 -0.156 0.000 0.749 182 L CB -1.190 40.826 42.059 -0.072 0.000 0.893 182 L HN 0.143 nan 8.230 nan 0.000 0.432 183 P HA -0.229 nan 4.420 nan 0.000 0.215 183 P C 1.472 178.274 177.300 -0.831 0.000 1.157 183 P CA 1.465 64.084 63.100 -0.801 0.000 0.874 183 P CB -0.189 30.663 31.700 -1.413 0.000 0.790 184 Q N -0.139 119.266 119.800 -0.659 0.000 2.230 184 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 184 Q C 1.863 177.727 176.000 -0.226 0.000 0.963 184 Q CA 1.254 56.861 55.803 -0.326 0.000 0.866 184 Q CB -0.487 28.169 28.738 -0.138 0.000 0.931 184 Q HN 0.096 nan 8.270 nan 0.000 0.452 185 V N -0.057 119.729 119.914 -0.212 0.000 2.488 185 V HA -0.155 3.965 4.120 -0.001 0.000 0.246 185 V C 2.411 178.411 176.094 -0.157 0.000 1.046 185 V CA 1.101 63.314 62.300 -0.145 0.000 1.053 185 V CB -0.169 31.587 31.823 -0.111 0.000 0.679 185 V HN 0.100 nan 8.190 nan 0.000 0.458 186 V N -0.481 119.303 119.914 -0.216 0.000 2.346 186 V HA -0.151 3.969 4.120 -0.001 0.000 0.244 186 V C 2.056 177.964 176.094 -0.310 0.000 1.037 186 V CA 2.022 64.188 62.300 -0.224 0.000 1.029 186 V CB -0.385 31.293 31.823 -0.242 0.000 0.663 186 V HN 0.463 nan 8.190 nan 0.000 0.454 187 M N -0.935 118.404 119.600 -0.436 0.000 2.441 187 M HA 0.360 4.839 4.480 -0.001 0.000 0.244 187 M C 1.472 177.634 176.300 -0.229 0.000 1.122 187 M CA 0.764 55.730 55.300 -0.558 0.000 1.041 187 M CB 0.233 32.361 32.600 -0.786 0.000 1.438 187 M HN 0.450 nan 8.290 nan 0.000 0.484 188 G N 1.567 110.267 108.800 -0.167 0.000 2.611 188 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.301 188 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.301 188 G C 0.871 175.708 174.900 -0.104 0.000 1.233 188 G CA 0.862 45.906 45.100 -0.093 0.000 0.993 188 G HN 0.543 nan 8.290 nan 0.000 0.553 189 S N -0.505 115.156 115.700 -0.065 0.000 2.547 189 S HA 0.110 4.580 4.470 -0.001 0.000 0.235 189 S C 2.126 176.548 174.600 -0.298 0.000 0.980 189 S CA 1.857 59.954 58.200 -0.172 0.000 0.941 189 S CB -0.025 63.148 63.200 -0.045 0.000 0.763 189 S HN 0.972 nan 8.310 nan 0.000 0.532 190 S N 0.167 115.821 115.700 -0.075 0.000 2.522 190 S HA 0.143 4.613 4.470 -0.001 0.000 0.227 190 S C 0.172 174.753 174.600 -0.033 0.000 0.986 190 S CA -0.172 58.045 58.200 0.029 0.000 0.929 190 S CB -0.364 62.974 63.200 0.230 0.000 0.769 190 S HN 0.698 nan 8.310 nan 0.000 0.529 191 Y N 2.883 123.012 120.300 -0.284 0.000 2.486 191 Y HA 0.478 5.028 4.550 -0.001 0.000 0.348 191 Y C 1.231 176.874 175.900 -0.428 0.000 1.000 191 Y CA -1.401 56.502 58.100 -0.327 0.000 1.253 191 Y CB 0.171 38.440 38.460 -0.317 0.000 1.140 191 Y HN 0.053 nan 8.280 nan 0.000 0.526 192 G N 4.479 112.847 108.800 -0.721 0.000 2.421 192 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 192 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 192 G C 1.067 175.451 174.900 -0.859 0.000 1.143 192 G CA 0.136 44.837 45.100 -0.665 0.000 0.784 192 G HN 0.640 nan 8.290 nan 0.000 0.541 193 F N 1.542 120.793 119.950 -1.164 0.000 2.641 193 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 193 F C 2.817 178.339 175.800 -0.464 0.000 1.146 193 F CA 0.943 58.339 58.000 -1.007 0.000 1.464 193 F CB -0.169 38.234 39.000 -0.996 0.000 1.101 193 F HN 0.401 nan 8.300 nan 0.000 0.585 194 Q N -0.976 118.556 119.800 -0.448 0.000 2.432 194 Q HA -0.046 4.293 4.340 -0.001 0.000 0.205 194 Q C -0.506 175.390 176.000 -0.174 0.000 0.945 194 Q CA 0.601 56.268 55.803 -0.227 0.000 0.924 194 Q CB -0.225 28.294 28.738 -0.366 0.000 1.016 194 Q HN 0.281 nan 8.270 nan 0.000 0.503 195 Y N 1.590 121.879 120.300 -0.017 0.000 2.419 195 Y HA 0.363 4.912 4.550 -0.001 0.000 0.328 195 Y C 0.553 176.330 175.900 -0.205 0.000 1.162 195 Y CA -1.376 56.678 58.100 -0.078 0.000 1.174 195 Y CB 1.510 39.888 38.460 -0.138 0.000 1.228 195 Y HN 0.086 nan 8.280 nan 0.000 0.473 196 S N 1.249 116.765 115.700 -0.308 0.000 2.652 196 S HA 0.350 4.819 4.470 -0.001 0.000 0.270 196 S C -2.156 172.145 174.600 -0.499 0.000 1.243 196 S CA -1.289 56.264 58.200 -1.079 0.000 0.999 196 S CB 1.679 64.388 63.200 -0.818 0.000 0.973 196 S HN 0.393 nan 8.310 nan 0.000 0.544 197 P HA -0.061 nan 4.420 nan 0.000 0.216 197 P C 1.628 178.875 177.300 -0.088 0.000 1.154 197 P CA 1.875 64.874 63.100 -0.169 0.000 0.865 197 P CB -0.424 31.225 31.700 -0.086 0.000 0.789 198 G N -0.768 107.968 108.800 -0.107 0.000 2.421 198 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 198 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 198 G C 1.445 176.296 174.900 -0.083 0.000 1.143 198 G CA 0.383 45.459 45.100 -0.041 0.000 0.784 198 G HN 0.328 nan 8.290 nan 0.000 0.541 199 Q N -0.570 119.154 119.800 -0.126 0.000 2.245 199 Q HA 0.090 4.429 4.340 -0.001 0.000 0.201 199 Q C 2.509 178.325 176.000 -0.307 0.000 0.955 199 Q CA 0.427 56.144 55.803 -0.143 0.000 0.870 199 Q CB -0.006 28.723 28.738 -0.014 0.000 0.945 199 Q HN 0.442 nan 8.270 nan 0.000 0.461 200 R N 0.474 120.851 120.500 -0.205 0.000 2.073 200 R HA -0.094 4.246 4.340 -0.001 0.000 0.229 200 R C 2.048 178.262 176.300 -0.143 0.000 1.120 200 R CA 0.952 56.929 56.100 -0.205 0.000 0.967 200 R CB -0.054 30.220 30.300 -0.044 0.000 0.862 200 R HN 0.072 nan 8.270 nan 0.000 0.436 201 V N 1.598 121.450 119.914 -0.102 0.000 2.287 201 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 201 V C 2.376 178.388 176.094 -0.137 0.000 1.053 201 V CA 2.286 64.528 62.300 -0.096 0.000 1.027 201 V CB -0.581 31.222 31.823 -0.034 0.000 0.646 201 V HN 0.501 nan 8.190 nan 0.000 0.447 202 E N -0.389 119.739 120.200 -0.120 0.000 2.058 202 E HA -0.287 4.063 4.350 -0.001 0.000 0.194 202 E C 2.124 178.642 176.600 -0.137 0.000 0.997 202 E CA 1.804 58.132 56.400 -0.120 0.000 0.801 202 E CB -0.236 29.414 29.700 -0.083 0.000 0.746 202 E HN 0.561 nan 8.360 nan 0.000 0.450 203 F N 1.048 120.800 119.950 -0.329 0.000 2.171 203 F HA -0.102 4.425 4.527 -0.001 0.000 0.300 203 F C 1.849 177.529 175.800 -0.199 0.000 1.090 203 F CA 1.088 58.897 58.000 -0.319 0.000 1.293 203 F CB -0.071 38.573 39.000 -0.594 0.000 1.013 203 F HN 0.014 nan 8.300 nan 0.000 0.486 204 L N -0.958 120.108 121.223 -0.262 0.000 2.044 204 L HA -0.183 4.157 4.340 -0.001 0.000 0.205 204 L C 2.392 179.105 176.870 -0.262 0.000 1.075 204 L CA 0.916 55.592 54.840 -0.273 0.000 0.747 204 L CB -0.712 41.250 42.059 -0.161 0.000 0.903 204 L HN -0.032 nan 8.230 nan 0.000 0.435 205 V N 0.103 119.849 119.914 -0.280 0.000 2.295 205 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 205 V C 2.221 178.199 176.094 -0.194 0.000 1.049 205 V CA 1.828 63.946 62.300 -0.302 0.000 1.024 205 V CB -0.662 30.862 31.823 -0.498 0.000 0.648 205 V HN 0.480 nan 8.190 nan 0.000 0.447 206 N N 0.061 118.630 118.700 -0.219 0.000 2.166 206 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 206 N C 1.908 177.302 175.510 -0.192 0.000 1.019 206 N CA 1.948 54.895 53.050 -0.172 0.000 0.856 206 N CB -0.591 37.809 38.487 -0.145 0.000 0.993 206 N HN 0.468 nan 8.380 nan 0.000 0.426 207 T N 0.401 114.756 114.554 -0.333 0.000 2.746 207 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 207 T C 1.493 176.107 174.700 -0.143 0.000 1.039 207 T CA 0.619 62.523 62.100 -0.327 0.000 1.142 207 T CB -0.217 68.309 68.868 -0.571 0.000 0.866 207 T HN 0.441 nan 8.240 nan 0.000 0.444 208 W N 2.264 123.406 121.300 -0.264 0.000 2.363 208 W HA -0.062 4.597 4.660 -0.002 0.000 0.296 208 W C 1.542 177.977 176.519 -0.139 0.000 1.212 208 W CA 1.061 58.295 57.345 -0.184 0.000 1.260 208 W CB -0.108 29.239 29.460 -0.188 0.000 1.131 208 W HN 0.271 nan 8.180 nan 0.000 0.530 209 K N 0.120 120.528 120.400 0.014 0.000 2.365 209 K HA -0.085 4.234 4.320 -0.001 0.000 0.197 209 K C 2.180 178.726 176.600 -0.089 0.000 1.042 209 K CA 1.242 57.509 56.287 -0.034 0.000 0.987 209 K CB -0.145 32.351 32.500 -0.007 0.000 0.779 209 K HN 0.005 nan 8.250 nan 0.000 0.484 210 S N 0.541 116.175 115.700 -0.111 0.000 2.481 210 S HA -0.008 4.461 4.470 -0.001 0.000 0.231 210 S C 0.552 175.081 174.600 -0.120 0.000 0.996 210 S CA 0.395 58.534 58.200 -0.102 0.000 0.942 210 S CB 0.035 63.175 63.200 -0.101 0.000 0.768 210 S HN -0.032 nan 8.310 nan 0.000 0.520 211 K N 1.501 121.793 120.400 -0.180 0.000 2.118 211 K HA 0.452 4.772 4.320 -0.001 0.000 0.267 211 K C 0.770 177.261 176.600 -0.182 0.000 0.991 211 K CA -0.387 55.783 56.287 -0.195 0.000 0.916 211 K CB 1.024 33.355 32.500 -0.282 0.000 1.041 211 K HN 0.067 nan 8.250 nan 0.000 0.455 212 K N 0.882 121.201 120.400 -0.134 0.000 2.031 212 K HA 0.003 4.322 4.320 -0.001 0.000 0.205 212 K C -0.063 176.464 176.600 -0.122 0.000 1.049 212 K CA 1.052 57.276 56.287 -0.104 0.000 0.939 212 K CB 0.137 32.593 32.500 -0.073 0.000 0.717 212 K HN 0.398 nan 8.250 nan 0.000 0.438 213 N N 1.463 120.079 118.700 -0.141 0.000 2.841 213 N HA 0.177 4.917 4.740 -0.001 0.000 0.257 213 N C -2.847 172.535 175.510 -0.213 0.000 1.396 213 N CA -1.219 51.749 53.050 -0.136 0.000 0.823 213 N CB 1.282 39.722 38.487 -0.078 0.000 1.162 213 N HN 0.054 nan 8.380 nan 0.000 0.503 214 P HA -0.007 nan 4.420 nan 0.000 0.262 214 P C -0.214 176.702 177.300 -0.640 0.000 1.182 214 P CA 0.120 62.729 63.100 -0.817 0.000 0.761 214 P CB 0.994 31.671 31.700 -1.705 0.000 0.795 215 M N 2.776 122.068 119.600 -0.514 0.000 2.371 215 M HA 0.605 5.085 4.480 -0.001 0.000 0.287 215 M C -1.249 174.994 176.300 -0.096 0.000 1.149 215 M CA -0.244 54.913 55.300 -0.238 0.000 0.929 215 M CB 2.541 35.100 32.600 -0.068 0.000 1.683 215 M HN 0.579 nan 8.290 nan 0.000 0.470 216 G N 3.807 112.668 108.800 0.102 0.000 2.690 216 G HA2 0.852 4.812 3.960 -0.001 0.000 0.293 216 G HA3 0.852 4.812 3.960 -0.001 0.000 0.293 216 G C -2.006 173.019 174.900 0.208 0.000 1.399 216 G CA -0.600 44.614 45.100 0.189 0.000 0.890 216 G HN 0.829 nan 8.290 nan 0.000 0.485 217 F N -0.612 119.311 119.950 -0.044 0.000 2.693 217 F HA 0.807 5.335 4.527 0.002 0.000 0.309 217 F C -0.343 175.450 175.800 -0.011 0.000 1.129 217 F CA -1.442 56.529 58.000 -0.047 0.000 0.948 217 F CB 1.294 40.251 39.000 -0.073 0.000 1.315 217 F HN 0.683 nan 8.300 nan 0.000 0.447 218 S N 0.922 116.657 115.700 0.059 0.000 2.549 218 S HA 0.665 5.134 4.470 -0.001 0.000 0.297 218 S C -1.658 173.078 174.600 0.227 0.000 1.115 218 S CA -0.596 57.612 58.200 0.012 0.000 1.059 218 S CB 1.740 64.954 63.200 0.024 0.000 1.046 218 S HN 0.889 nan 8.310 nan 0.000 0.506 219 Y N 1.512 121.869 120.300 0.096 0.000 2.338 219 Y HA 0.432 4.981 4.550 -0.002 0.000 0.328 219 Y C -0.872 175.136 175.900 0.179 0.000 0.965 219 Y CA -0.895 57.349 58.100 0.239 0.000 1.208 219 Y CB 1.159 39.848 38.460 0.382 0.000 1.132 219 Y HN 0.893 nan 8.280 nan 0.000 0.469 220 D N 4.149 124.413 120.400 -0.227 0.000 2.347 220 D HA 0.219 4.859 4.640 -0.001 0.000 0.235 220 D C -0.691 175.471 176.300 -0.230 0.000 1.149 220 D CA -0.027 53.894 54.000 -0.131 0.000 0.850 220 D CB 1.000 41.753 40.800 -0.077 0.000 1.061 220 D HN 0.446 nan 8.370 nan 0.000 0.487 221 T N 3.836 118.416 114.554 0.042 0.000 2.817 221 T HA 0.152 4.502 4.350 -0.001 0.000 0.293 221 T C 0.423 175.207 174.700 0.140 0.000 0.964 221 T CA -0.527 61.669 62.100 0.160 0.000 1.085 221 T CB 0.674 69.837 68.868 0.490 0.000 0.921 221 T HN 0.327 nan 8.240 nan 0.000 0.502 222 R N 2.601 123.146 120.500 0.076 0.000 2.435 222 R HA 0.127 4.467 4.340 -0.001 0.000 0.325 222 R C -0.000 176.401 176.300 0.168 0.000 1.149 222 R CA -0.087 56.057 56.100 0.073 0.000 0.995 222 R CB -1.106 29.189 30.300 -0.009 0.000 1.008 222 R HN 0.891 nan 8.270 nan 0.000 0.470 223 C N 5.900 125.329 119.300 0.214 0.000 3.165 223 C HA -0.183 4.276 4.460 -0.001 0.000 0.279 223 C C 1.154 176.346 174.990 0.337 0.000 1.188 223 C CA 0.019 59.209 59.018 0.286 0.000 2.448 223 C CB -2.302 25.642 27.740 0.339 0.000 1.516 223 C HN 1.046 nan 8.230 nan 0.000 0.491 224 F N 2.035 122.099 119.950 0.191 0.000 2.120 224 F HA -0.107 4.419 4.527 -0.001 0.000 0.300 224 F C 1.829 177.742 175.800 0.189 0.000 1.095 224 F CA 2.490 60.603 58.000 0.189 0.000 1.249 224 F CB -0.047 39.053 39.000 0.167 0.000 0.995 224 F HN 0.626 nan 8.300 nan 0.000 0.480 225 D N -0.376 120.269 120.400 0.408 0.000 2.133 225 D HA -0.173 4.467 4.640 -0.001 0.000 0.195 225 D C 2.425 178.810 176.300 0.142 0.000 0.997 225 D CA 1.748 55.918 54.000 0.283 0.000 0.840 225 D CB -0.517 40.448 40.800 0.275 0.000 0.947 225 D HN 0.265 nan 8.370 nan 0.000 0.452 226 S N -0.442 115.363 115.700 0.176 0.000 2.453 226 S HA -0.096 4.374 4.470 -0.001 0.000 0.231 226 S C 2.045 176.692 174.600 0.077 0.000 1.005 226 S CA 1.330 59.567 58.200 0.061 0.000 0.949 226 S CB -0.173 63.059 63.200 0.054 0.000 0.774 226 S HN 0.518 nan 8.310 nan 0.000 0.510 227 T N -0.294 114.346 114.554 0.143 0.000 3.067 227 T HA 0.119 4.468 4.350 -0.001 0.000 0.261 227 T C 0.635 175.289 174.700 -0.076 0.000 1.110 227 T CA 0.027 62.183 62.100 0.093 0.000 1.113 227 T CB -0.469 68.386 68.868 -0.021 0.000 0.917 227 T HN 0.048 nan 8.240 nan 0.000 0.499 228 V N 4.098 123.929 119.914 -0.138 0.000 2.485 228 V HA 0.298 4.417 4.120 -0.001 0.000 0.287 228 V C 1.170 177.235 176.094 -0.048 0.000 1.022 228 V CA -0.143 62.092 62.300 -0.109 0.000 1.067 228 V CB -0.099 31.700 31.823 -0.040 0.000 0.967 228 V HN 0.724 nan 8.190 nan 0.000 0.479 229 T N 0.843 115.378 114.554 -0.031 0.000 2.897 229 T HA 0.316 4.666 4.350 -0.001 0.000 0.278 229 T C 1.025 175.727 174.700 0.003 0.000 0.981 229 T CA -0.326 61.765 62.100 -0.015 0.000 0.973 229 T CB 1.521 70.376 68.868 -0.021 0.000 1.092 229 T HN 0.674 nan 8.240 nan 0.000 0.543 230 E N 0.310 120.519 120.200 0.015 0.000 2.110 230 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 230 E C 1.936 178.554 176.600 0.029 0.000 0.988 230 E CA 1.488 57.907 56.400 0.030 0.000 0.804 230 E CB -0.218 29.506 29.700 0.040 0.000 0.745 230 E HN 0.768 nan 8.360 nan 0.000 0.458 231 N N 0.714 119.423 118.700 0.016 0.000 2.104 231 N HA -0.196 4.543 4.740 -0.001 0.000 0.190 231 N C 1.427 176.957 175.510 0.033 0.000 1.024 231 N CA 2.074 55.132 53.050 0.015 0.000 0.853 231 N CB -0.075 38.402 38.487 -0.016 0.000 1.008 231 N HN 0.134 nan 8.380 nan 0.000 0.424 232 D N 0.133 120.553 120.400 0.033 0.000 2.117 232 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 232 D C 1.977 178.297 176.300 0.035 0.000 0.987 232 D CA 0.950 54.980 54.000 0.051 0.000 0.829 232 D CB -0.222 40.604 40.800 0.042 0.000 0.961 232 D HN 0.477 nan 8.370 nan 0.000 0.460 233 I N 0.629 121.223 120.570 0.041 0.000 2.315 233 I HA -0.191 3.979 4.170 -0.001 0.000 0.248 233 I C 2.495 178.637 176.117 0.041 0.000 1.117 233 I CA 0.883 62.217 61.300 0.056 0.000 1.404 233 I CB -0.088 37.967 38.000 0.092 0.000 1.071 233 I HN -0.121 nan 8.210 nan 0.000 0.419 234 R N 0.067 120.589 120.500 0.036 0.000 2.090 234 R HA -0.063 4.277 4.340 -0.001 0.000 0.228 234 R C 2.333 178.624 176.300 -0.016 0.000 1.110 234 R CA 0.884 56.998 56.100 0.024 0.000 0.973 234 R CB -0.299 30.018 30.300 0.029 0.000 0.869 234 R HN 0.190 nan 8.270 nan 0.000 0.440 235 V N 1.446 121.352 119.914 -0.015 0.000 2.343 235 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 235 V C 1.920 177.923 176.094 -0.151 0.000 1.051 235 V CA 1.843 64.117 62.300 -0.044 0.000 1.036 235 V CB -0.378 31.453 31.823 0.013 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.410 119.671 120.200 -0.197 0.000 2.058 236 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 236 E C 2.375 178.476 176.600 -0.832 0.000 0.997 236 E CA 1.375 57.491 56.400 -0.473 0.000 0.801 236 E CB -0.189 29.312 29.700 -0.331 0.000 0.746 236 E HN 0.553 nan 8.360 nan 0.000 0.450 237 E N 0.665 120.645 120.200 -0.367 0.000 2.051 237 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 237 E C 2.166 178.693 176.600 -0.122 0.000 0.991 237 E CA 1.599 57.924 56.400 -0.124 0.000 0.799 237 E CB -0.036 29.721 29.700 0.094 0.000 0.748 237 E HN 0.243 nan 8.360 nan 0.000 0.449 238 S N 0.234 115.865 115.700 -0.115 0.000 2.419 238 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 238 S C 2.131 176.676 174.600 -0.092 0.000 1.019 238 S CA 1.068 59.227 58.200 -0.068 0.000 0.982 238 S CB -0.520 62.650 63.200 -0.051 0.000 0.789 238 S HN 0.291 nan 8.310 nan 0.000 0.490 239 I N -0.194 120.257 120.570 -0.198 0.000 2.333 239 I HA -0.065 4.104 4.170 -0.001 0.000 0.246 239 I C 2.191 178.268 176.117 -0.066 0.000 1.106 239 I CA 0.983 62.183 61.300 -0.166 0.000 1.411 239 I CB -0.402 37.453 38.000 -0.243 0.000 1.082 239 I HN 0.207 nan 8.210 nan 0.000 0.420 240 Y N 1.025 121.321 120.300 -0.006 0.000 2.181 240 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 240 Y C 2.634 178.539 175.900 0.009 0.000 1.146 240 Y CA 0.639 58.739 58.100 0.001 0.000 1.164 240 Y CB -1.021 37.453 38.460 0.023 0.000 0.982 240 Y HN 0.200 nan 8.280 nan 0.000 0.515 241 Q N -1.092 118.798 119.800 0.150 0.000 2.364 241 Q HA -0.129 4.210 4.340 -0.001 0.000 0.207 241 Q C 2.326 178.360 176.000 0.056 0.000 0.970 241 Q CA 0.885 56.744 55.803 0.093 0.000 0.888 241 Q CB -0.815 27.962 28.738 0.065 0.000 0.951 241 Q HN 0.517 nan 8.270 nan 0.000 0.469 242 C N 0.139 119.464 119.300 0.040 0.000 2.432 242 C HA -0.050 4.409 4.460 -0.001 0.000 0.280 242 C C 1.642 176.647 174.990 0.026 0.000 1.353 242 C CA -0.624 58.406 59.018 0.020 0.000 1.766 242 C CB -0.677 27.063 27.740 -0.000 0.000 1.924 242 C HN 0.422 nan 8.230 nan 0.000 0.509 243 C N 1.573 120.899 119.300 0.043 0.000 2.705 243 C HA 0.146 4.605 4.460 -0.001 0.000 0.382 243 C C 0.523 175.533 174.990 0.033 0.000 1.322 243 C CA -0.191 58.849 59.018 0.035 0.000 2.290 243 C CB -0.224 27.544 27.740 0.046 0.000 2.650 243 C HN 0.504 nan 8.230 nan 0.000 0.695 244 D N 1.307 121.722 120.400 0.025 0.000 2.365 244 D HA 0.496 5.135 4.640 -0.001 0.000 0.237 244 D C -0.639 175.680 176.300 0.032 0.000 1.190 244 D CA 0.241 54.255 54.000 0.025 0.000 0.867 244 D CB -0.105 40.705 40.800 0.017 0.000 1.050 244 D HN 0.382 nan 8.370 nan 0.000 0.491 245 L N 1.920 123.166 121.223 0.039 0.000 2.323 245 L HA 0.713 5.053 4.340 -0.001 0.000 0.265 245 L C 0.356 177.256 176.870 0.050 0.000 1.012 245 L CA -1.447 53.423 54.840 0.049 0.000 0.820 245 L CB 1.817 43.913 42.059 0.061 0.000 1.334 245 L HN 0.332 nan 8.230 nan 0.000 0.427 246 A N 1.433 124.289 122.820 0.061 0.000 2.425 246 A HA 0.416 4.736 4.320 -0.001 0.000 0.249 246 A C -1.850 175.775 177.584 0.068 0.000 1.084 246 A CA -1.035 51.040 52.037 0.063 0.000 0.781 246 A CB 0.038 19.083 19.000 0.075 0.000 1.019 246 A HN 0.624 nan 8.150 nan 0.000 0.490 247 P HA -0.225 nan 4.420 nan 0.000 0.216 247 P C 1.280 178.613 177.300 0.054 0.000 1.154 247 P CA 1.852 64.980 63.100 0.046 0.000 0.865 247 P CB 0.253 31.976 31.700 0.037 0.000 0.789 248 E N -0.858 119.395 120.200 0.089 0.000 2.110 248 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 248 E C 1.932 178.616 176.600 0.140 0.000 0.988 248 E CA 1.107 57.582 56.400 0.125 0.000 0.804 248 E CB -0.453 29.388 29.700 0.235 0.000 0.745 248 E HN 0.103 nan 8.360 nan 0.000 0.458 249 A N 0.881 123.804 122.820 0.171 0.000 1.929 249 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 249 A C 2.079 179.716 177.584 0.088 0.000 1.176 249 A CA 1.026 53.171 52.037 0.180 0.000 0.628 249 A CB -0.294 18.805 19.000 0.163 0.000 0.816 249 A HN 0.128 nan 8.150 nan 0.000 0.444 250 R N -0.961 119.577 120.500 0.064 0.000 2.081 250 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 250 R C 2.500 178.805 176.300 0.009 0.000 1.131 250 R CA 1.752 57.879 56.100 0.046 0.000 0.960 250 R CB -0.285 30.038 30.300 0.039 0.000 0.856 250 R HN 0.638 nan 8.270 nan 0.000 0.436 251 Q N 0.697 120.482 119.800 -0.025 0.000 2.050 251 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 251 Q C 1.933 177.847 176.000 -0.143 0.000 0.980 251 Q CA 2.088 57.844 55.803 -0.079 0.000 0.840 251 Q CB -0.260 28.417 28.738 -0.103 0.000 0.898 251 Q HN 0.335 nan 8.270 nan 0.000 0.424 252 A N 0.219 122.908 122.820 -0.218 0.000 1.902 252 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 252 A C 2.141 179.645 177.584 -0.133 0.000 1.181 252 A CA 1.517 53.355 52.037 -0.332 0.000 0.623 252 A CB -0.761 17.892 19.000 -0.578 0.000 0.818 252 A HN 0.501 nan 8.150 nan 0.000 0.443 253 I N -0.582 119.978 120.570 -0.016 0.000 2.286 253 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 253 I C 2.562 178.722 176.117 0.073 0.000 1.115 253 I CA 1.771 63.117 61.300 0.076 0.000 1.392 253 I CB -0.279 37.797 38.000 0.126 0.000 1.065 253 I HN 0.409 nan 8.210 nan 0.000 0.418 254 K N 0.657 121.073 120.400 0.027 0.000 2.026 254 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 254 K C 2.375 178.961 176.600 -0.024 0.000 1.048 254 K CA 1.913 58.211 56.287 0.019 0.000 0.929 254 K CB -0.117 32.382 32.500 -0.002 0.000 0.713 254 K HN 0.124 nan 8.250 nan 0.000 0.439 255 S N 0.708 116.360 115.700 -0.080 0.000 2.368 255 S HA -0.084 4.386 4.470 -0.001 0.000 0.225 255 S C 2.020 176.527 174.600 -0.154 0.000 1.030 255 S CA 0.990 59.120 58.200 -0.117 0.000 0.999 255 S CB -0.234 62.867 63.200 -0.166 0.000 0.844 255 S HN 0.356 nan 8.310 nan 0.000 0.459 256 L N 0.687 121.789 121.223 -0.202 0.000 2.083 256 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 256 L C 2.799 179.376 176.870 -0.490 0.000 1.083 256 L CA 1.551 56.150 54.840 -0.401 0.000 0.752 256 L CB -0.991 40.790 42.059 -0.464 0.000 0.899 256 L HN 0.344 nan 8.230 nan 0.000 0.433 257 T N -0.864 113.599 114.554 -0.151 0.000 2.674 257 T HA -0.159 4.190 4.350 -0.001 0.000 0.265 257 T C 1.770 176.482 174.700 0.019 0.000 1.039 257 T CA 1.251 63.400 62.100 0.081 0.000 1.150 257 T CB -0.080 68.912 68.868 0.207 0.000 0.864 257 T HN 0.322 nan 8.240 nan 0.000 0.427 258 E N 0.887 121.079 120.200 -0.014 0.000 2.152 258 E HA 0.001 4.350 4.350 -0.001 0.000 0.192 258 E C 2.360 178.943 176.600 -0.028 0.000 0.983 258 E CA 0.734 57.130 56.400 -0.007 0.000 0.818 258 E CB -0.073 29.621 29.700 -0.010 0.000 0.758 258 E HN 0.459 nan 8.360 nan 0.000 0.467 259 R N -0.332 120.121 120.500 -0.078 0.000 2.223 259 R HA 0.091 4.431 4.340 -0.001 0.000 0.198 259 R C 1.879 178.123 176.300 -0.094 0.000 0.984 259 R CA 0.384 56.439 56.100 -0.075 0.000 1.018 259 R CB 0.253 30.498 30.300 -0.092 0.000 0.945 259 R HN 0.046 nan 8.270 nan 0.000 0.479 260 L N -2.284 118.840 121.223 -0.164 0.000 2.691 260 L HA 0.182 4.522 4.340 -0.001 0.000 0.185 260 L C 1.325 178.176 176.870 -0.031 0.000 1.081 260 L CA 0.595 55.341 54.840 -0.156 0.000 0.865 260 L CB -0.281 41.610 42.059 -0.280 0.000 1.370 260 L HN -0.152 nan 8.230 nan 0.000 0.488 261 Y N 0.629 120.950 120.300 0.035 0.000 2.128 261 Y HA -0.143 4.407 4.550 -0.001 0.000 0.284 261 Y C 2.628 178.544 175.900 0.027 0.000 1.154 261 Y CA 1.714 59.843 58.100 0.050 0.000 1.149 261 Y CB -0.957 37.556 38.460 0.088 0.000 0.976 261 Y HN 0.146 nan 8.280 nan 0.000 0.505 262 I N -1.133 119.536 120.570 0.165 0.000 2.315 262 I HA -0.073 4.097 4.170 -0.001 0.000 0.248 262 I C 1.207 177.343 176.117 0.031 0.000 1.117 262 I CA 1.399 62.754 61.300 0.091 0.000 1.404 262 I CB -0.339 37.706 38.000 0.075 0.000 1.071 262 I HN 0.310 nan 8.210 nan 0.000 0.419 263 G N -1.141 107.656 108.800 -0.006 0.000 2.322 263 G HA2 0.500 4.459 3.960 -0.001 0.000 0.295 263 G HA3 0.500 4.459 3.960 -0.001 0.000 0.295 263 G C -1.104 173.655 174.900 -0.235 0.000 1.369 263 G CA -0.063 44.962 45.100 -0.126 0.000 0.821 263 G HN 0.390 nan 8.290 nan 0.000 0.536 264 G N -0.787 107.606 108.800 -0.680 0.000 2.328 264 G HA2 0.690 4.650 3.960 -0.001 0.000 0.299 264 G HA3 0.690 4.650 3.960 -0.001 0.000 0.299 264 G C -3.434 170.880 174.900 -0.975 0.000 1.435 264 G CA -0.002 44.685 45.100 -0.689 0.000 0.865 264 G HN 0.730 nan 8.290 nan 0.000 0.601 265 P HA 0.388 nan 4.420 nan 0.000 0.272 265 P C -0.495 176.720 177.300 -0.141 0.000 1.223 265 P CA -0.091 62.917 63.100 -0.153 0.000 0.784 265 P CB 1.142 32.888 31.700 0.077 0.000 0.923 266 L N 2.265 123.443 121.223 -0.074 0.000 2.305 266 L HA 0.423 4.763 4.340 -0.001 0.000 0.284 266 L C 0.406 177.275 176.870 -0.001 0.000 1.013 266 L CA -0.254 54.562 54.840 -0.039 0.000 0.819 266 L CB 1.595 43.658 42.059 0.007 0.000 1.227 266 L HN 0.282 nan 8.230 nan 0.000 0.417 267 T N 1.316 115.848 114.554 -0.037 0.000 2.807 267 T HA 0.331 4.680 4.350 -0.001 0.000 0.279 267 T C -0.135 174.542 174.700 -0.039 0.000 0.993 267 T CA -0.856 61.227 62.100 -0.029 0.000 0.970 267 T CB 1.495 70.333 68.868 -0.051 0.000 0.950 267 T HN 0.636 nan 8.240 nan 0.000 0.441 268 N N 0.739 119.435 118.700 -0.006 0.000 2.327 268 N HA 0.122 4.862 4.740 -0.001 0.000 0.257 268 N C 1.360 176.861 175.510 -0.016 0.000 1.281 268 N CA -0.384 52.664 53.050 -0.003 0.000 0.942 268 N CB 0.120 38.617 38.487 0.017 0.000 1.199 268 N HN 0.450 nan 8.380 nan 0.000 0.532 269 S N -1.671 114.030 115.700 0.002 0.000 2.507 269 S HA -0.049 4.421 4.470 -0.001 0.000 0.235 269 S C 1.008 175.606 174.600 -0.003 0.000 0.988 269 S CA 0.540 58.744 58.200 0.006 0.000 0.944 269 S CB -0.410 62.808 63.200 0.030 0.000 0.762 269 S HN 0.603 nan 8.310 nan 0.000 0.526 270 K N 0.401 120.800 120.400 -0.002 0.000 2.393 270 K HA 0.274 4.594 4.320 -0.001 0.000 0.193 270 K C 1.295 177.889 176.600 -0.011 0.000 1.026 270 K CA 0.433 56.718 56.287 -0.004 0.000 1.064 270 K CB 0.090 32.591 32.500 0.003 0.000 0.833 270 K HN 0.532 nan 8.250 nan 0.000 0.521 271 G N 1.491 110.282 108.800 -0.016 0.000 2.176 271 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.232 271 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.232 271 G C -0.216 174.680 174.900 -0.006 0.000 0.986 271 G CA -0.301 44.786 45.100 -0.020 0.000 0.643 271 G HN 0.298 nan 8.290 nan 0.000 0.522 272 Q N 0.426 120.229 119.800 0.005 0.000 2.293 272 Q HA 0.299 4.639 4.340 -0.001 0.000 0.251 272 Q C 0.368 176.385 176.000 0.029 0.000 0.930 272 Q CA -0.470 55.344 55.803 0.018 0.000 0.893 272 Q CB 0.929 29.681 28.738 0.024 0.000 1.215 272 Q HN 0.412 nan 8.270 nan 0.000 0.425 273 N N 1.529 120.252 118.700 0.038 0.000 2.475 273 N HA -0.003 4.737 4.740 -0.001 0.000 0.267 273 N C -0.225 175.336 175.510 0.086 0.000 1.169 273 N CA -0.352 52.730 53.050 0.054 0.000 0.947 273 N CB 0.609 39.129 38.487 0.055 0.000 1.061 273 N HN 0.604 nan 8.380 nan 0.000 0.466 274 C N 2.760 122.129 119.300 0.115 0.000 2.674 274 C HA 0.425 4.885 4.460 -0.001 0.000 0.276 274 C C 1.197 176.346 174.990 0.266 0.000 1.300 274 C CA 0.420 59.565 59.018 0.212 0.000 1.732 274 C CB -0.835 27.067 27.740 0.270 0.000 2.076 274 C HN 0.951 nan 8.230 nan 0.000 0.548 275 G N -1.329 107.545 108.800 0.123 0.000 2.356 275 G HA2 0.306 4.265 3.960 -0.001 0.000 0.266 275 G HA3 0.306 4.265 3.960 -0.001 0.000 0.266 275 G C -2.217 172.686 174.900 0.004 0.000 1.312 275 G CA -0.435 44.676 45.100 0.018 0.000 0.922 275 G HN -0.011 nan 8.290 nan 0.000 0.480 276 Y N 0.764 120.924 120.300 -0.233 0.000 2.442 276 Y HA 0.761 5.310 4.550 -0.001 0.000 0.344 276 Y C 0.202 175.975 175.900 -0.212 0.000 0.976 276 Y CA -0.856 57.141 58.100 -0.171 0.000 1.040 276 Y CB 1.975 40.356 38.460 -0.131 0.000 1.228 276 Y HN 0.683 nan 8.280 nan 0.000 0.451 277 R N 4.968 125.188 120.500 -0.468 0.000 2.346 277 R HA 0.500 4.840 4.340 -0.001 0.000 0.311 277 R C -0.529 175.561 176.300 -0.351 0.000 0.983 277 R CA -0.511 55.348 56.100 -0.402 0.000 0.880 277 R CB 0.762 30.906 30.300 -0.261 0.000 1.100 277 R HN 0.788 nan 8.270 nan 0.000 0.453 278 R N 3.582 123.878 120.500 -0.340 0.000 2.659 278 R HA 0.182 4.521 4.340 -0.001 0.000 0.418 278 R C -0.289 175.888 176.300 -0.205 0.000 1.076 278 R CA -0.098 55.904 56.100 -0.164 0.000 1.093 278 R CB 0.289 30.543 30.300 -0.077 0.000 1.400 278 R HN 0.783 nan 8.270 nan 0.000 0.583 279 C N -1.386 117.736 119.300 -0.296 0.000 3.301 279 C HA 0.664 5.124 4.460 -0.001 0.000 0.367 279 C C 0.175 175.111 174.990 -0.090 0.000 1.980 279 C CA -1.399 57.496 59.018 -0.204 0.000 1.349 279 C CB 1.256 28.813 27.740 -0.305 0.000 2.412 279 C HN 0.315 nan 8.230 nan 0.000 0.451 280 R N 1.172 121.668 120.500 -0.007 0.000 2.570 280 R HA 0.495 4.834 4.340 -0.001 0.000 0.277 280 R C -0.015 176.349 176.300 0.107 0.000 1.039 280 R CA 0.902 57.048 56.100 0.078 0.000 1.065 280 R CB -0.005 30.379 30.300 0.140 0.000 0.964 280 R HN 1.156 nan 8.270 nan 0.000 0.428 281 A N 3.388 126.286 122.820 0.129 0.000 2.328 281 A HA 0.249 4.569 4.320 -0.001 0.000 0.284 281 A C 0.882 178.570 177.584 0.174 0.000 1.160 281 A CA 0.014 52.145 52.037 0.156 0.000 0.818 281 A CB 0.564 19.667 19.000 0.171 0.000 1.087 281 A HN 1.006 nan 8.150 nan 0.000 0.504 282 S N 1.929 117.744 115.700 0.191 0.000 2.527 282 S HA 0.104 4.574 4.470 -0.001 0.000 0.222 282 S C 1.036 175.739 174.600 0.171 0.000 0.985 282 S CA 0.686 58.994 58.200 0.181 0.000 0.921 282 S CB 0.083 63.395 63.200 0.187 0.000 0.772 282 S HN 1.238 nan 8.310 nan 0.000 0.529 283 G N 1.842 110.766 108.800 0.206 0.000 4.433 283 G HA2 0.524 4.483 3.960 -0.001 0.000 0.304 283 G HA3 0.524 4.483 3.960 -0.001 0.000 0.304 283 G C -0.158 174.872 174.900 0.217 0.000 1.254 283 G CA -0.104 45.124 45.100 0.213 0.000 0.999 283 G HN 0.585 nan 8.290 nan 0.000 0.576 284 V N -2.500 117.526 119.914 0.187 0.000 3.046 284 V HA 0.580 4.699 4.120 -0.001 0.000 0.316 284 V C 1.365 177.542 176.094 0.139 0.000 1.104 284 V CA -0.966 61.461 62.300 0.212 0.000 1.006 284 V CB 1.733 33.747 31.823 0.319 0.000 1.058 284 V HN 0.068 nan 8.190 nan 0.000 0.440 285 L N 2.355 123.671 121.223 0.155 0.000 2.127 285 L HA -0.054 4.286 4.340 -0.001 0.000 0.211 285 L C 2.275 179.162 176.870 0.029 0.000 1.089 285 L CA 3.034 57.944 54.840 0.117 0.000 0.757 285 L CB -0.636 41.516 42.059 0.155 0.000 0.899 285 L HN 1.100 nan 8.230 nan 0.000 0.434 286 T N -6.013 108.480 114.554 -0.102 0.000 3.169 286 T HA 0.017 4.366 4.350 -0.001 0.000 0.250 286 T C 1.528 176.171 174.700 -0.094 0.000 1.111 286 T CA 0.664 62.650 62.100 -0.190 0.000 1.010 286 T CB -0.637 67.936 68.868 -0.492 0.000 0.984 286 T HN 0.248 nan 8.240 nan 0.000 0.537 287 T N 1.793 116.331 114.554 -0.026 0.000 2.708 287 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 287 T C 2.207 176.936 174.700 0.048 0.000 1.037 287 T CA 1.699 63.821 62.100 0.036 0.000 1.146 287 T CB -0.529 68.384 68.868 0.075 0.000 0.865 287 T HN 0.549 nan 8.240 nan 0.000 0.435 288 S N -0.214 115.491 115.700 0.009 0.000 2.345 288 S HA -0.133 4.336 4.470 -0.001 0.000 0.220 288 S C 2.449 177.082 174.600 0.055 0.000 1.031 288 S CA 1.325 59.524 58.200 -0.001 0.000 0.996 288 S CB -0.939 62.152 63.200 -0.182 0.000 0.882 288 S HN 0.662 nan 8.310 nan 0.000 0.445 289 C N 1.338 120.645 119.300 0.011 0.000 2.429 289 C HA 0.096 4.556 4.460 -0.001 0.000 0.277 289 C C 2.798 177.843 174.990 0.092 0.000 1.262 289 C CA 1.119 60.162 59.018 0.041 0.000 1.733 289 C CB -1.804 25.929 27.740 -0.011 0.000 2.010 289 C HN 0.723 nan 8.230 nan 0.000 0.483 290 G N 0.420 109.281 108.800 0.102 0.000 2.421 290 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.216 290 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.216 290 G C 1.530 176.527 174.900 0.162 0.000 1.171 290 G CA 0.989 46.164 45.100 0.125 0.000 0.775 290 G HN 0.575 nan 8.290 nan 0.000 0.543 291 N N 0.510 119.311 118.700 0.169 0.000 2.104 291 N HA -0.093 4.646 4.740 -0.001 0.000 0.190 291 N C 2.411 177.956 175.510 0.058 0.000 1.024 291 N CA 1.712 54.863 53.050 0.169 0.000 0.853 291 N CB -0.779 37.694 38.487 -0.024 0.000 1.008 291 N HN 0.253 nan 8.380 nan 0.000 0.424 292 T N 1.817 116.417 114.554 0.078 0.000 2.708 292 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 292 T C 2.161 176.936 174.700 0.124 0.000 1.037 292 T CA 0.690 62.850 62.100 0.101 0.000 1.146 292 T CB -0.322 68.671 68.868 0.207 0.000 0.865 292 T HN 0.131 nan 8.240 nan 0.000 0.435 293 L N 0.650 121.929 121.223 0.093 0.000 2.017 293 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 293 L C 2.944 179.897 176.870 0.137 0.000 1.073 293 L CA 1.319 56.199 54.840 0.068 0.000 0.745 293 L CB -0.989 41.071 42.059 0.002 0.000 0.894 293 L HN 0.299 nan 8.230 nan 0.000 0.432 294 T N -1.532 113.128 114.554 0.175 0.000 2.821 294 T HA -0.216 4.133 4.350 -0.001 0.000 0.267 294 T C 1.992 176.873 174.700 0.303 0.000 1.046 294 T CA 1.337 63.570 62.100 0.222 0.000 1.139 294 T CB -0.434 68.600 68.868 0.276 0.000 0.871 294 T HN 0.445 nan 8.240 nan 0.000 0.454 295 C N 0.644 120.171 119.300 0.379 0.000 2.453 295 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 295 C C 2.393 177.522 174.990 0.232 0.000 1.262 295 C CA 0.403 59.631 59.018 0.349 0.000 1.718 295 C CB -1.367 26.450 27.740 0.128 0.000 2.031 295 C HN 0.657 nan 8.230 nan 0.000 0.480 296 Y N 0.987 121.334 120.300 0.078 0.000 2.181 296 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 296 Y C 2.138 178.044 175.900 0.010 0.000 1.146 296 Y CA 2.059 60.183 58.100 0.041 0.000 1.164 296 Y CB -0.504 37.966 38.460 0.017 0.000 0.982 296 Y HN 0.346 nan 8.280 nan 0.000 0.515 297 L N 1.038 122.320 121.223 0.099 0.000 1.994 297 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 297 L C 2.112 178.874 176.870 -0.180 0.000 1.071 297 L CA 2.016 56.800 54.840 -0.093 0.000 0.745 297 L CB -0.949 41.035 42.059 -0.125 0.000 0.892 297 L HN 0.137 nan 8.230 nan 0.000 0.431 298 K N -0.299 120.055 120.400 -0.075 0.000 2.026 298 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 298 K C 2.100 178.673 176.600 -0.046 0.000 1.048 298 K CA 1.423 57.650 56.287 -0.101 0.000 0.929 298 K CB -0.508 32.036 32.500 0.073 0.000 0.713 298 K HN 0.492 nan 8.250 nan 0.000 0.439 299 A N 1.278 124.086 122.820 -0.021 0.000 1.902 299 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 299 A C 2.277 179.867 177.584 0.010 0.000 1.181 299 A CA 1.924 53.975 52.037 0.023 0.000 0.623 299 A CB -0.628 18.457 19.000 0.142 0.000 0.818 299 A HN 0.184 nan 8.150 nan 0.000 0.443 300 S N -0.148 115.444 115.700 -0.180 0.000 2.359 300 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 300 S C 2.343 176.885 174.600 -0.095 0.000 1.035 300 S CA 1.343 59.410 58.200 -0.223 0.000 1.018 300 S CB -0.544 62.380 63.200 -0.459 0.000 0.876 300 S HN 0.818 nan 8.310 nan 0.000 0.448 301 A N 1.574 124.339 122.820 -0.091 0.000 1.902 301 A HA 0.062 4.381 4.320 -0.001 0.000 0.217 301 A C 2.369 180.003 177.584 0.083 0.000 1.181 301 A CA 1.813 53.855 52.037 0.009 0.000 0.623 301 A CB -1.153 17.818 19.000 -0.048 0.000 0.818 301 A HN 0.528 nan 8.150 nan 0.000 0.443 302 A N -1.164 121.730 122.820 0.124 0.000 1.940 302 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 302 A C 2.286 179.889 177.584 0.033 0.000 1.176 302 A CA 1.686 53.695 52.037 -0.047 0.000 0.631 302 A CB -1.324 17.328 19.000 -0.580 0.000 0.814 302 A HN 0.595 nan 8.150 nan 0.000 0.446 303 C N -0.977 118.435 119.300 0.187 0.000 2.422 303 C HA -0.079 4.380 4.460 -0.001 0.000 0.279 303 C C 2.914 177.911 174.990 0.011 0.000 1.305 303 C CA 1.165 60.312 59.018 0.215 0.000 1.757 303 C CB -1.312 26.521 27.740 0.155 0.000 1.962 303 C HN 0.600 nan 8.230 nan 0.000 0.499 304 R N 0.598 121.015 120.500 -0.138 0.000 2.093 304 R HA 0.003 4.342 4.340 -0.001 0.000 0.224 304 R C 2.398 178.375 176.300 -0.537 0.000 1.101 304 R CA 1.342 57.230 56.100 -0.352 0.000 0.979 304 R CB -0.425 29.582 30.300 -0.488 0.000 0.877 304 R HN 0.504 nan 8.270 nan 0.000 0.441 305 A N 1.515 124.044 122.820 -0.486 0.000 1.873 305 A HA -0.054 4.266 4.320 -0.001 0.000 0.215 305 A C 2.252 179.789 177.584 -0.079 0.000 1.186 305 A CA 1.606 53.503 52.037 -0.234 0.000 0.616 305 A CB -0.551 18.403 19.000 -0.077 0.000 0.823 305 A HN 0.359 nan 8.150 nan 0.000 0.442 306 A N -1.215 121.587 122.820 -0.030 0.000 2.239 306 A HA 0.180 4.499 4.320 -0.001 0.000 0.209 306 A C 0.961 178.557 177.584 0.020 0.000 1.171 306 A CA 0.886 52.941 52.037 0.030 0.000 0.768 306 A CB -0.581 18.502 19.000 0.138 0.000 0.790 306 A HN 0.507 nan 8.150 nan 0.000 0.478 307 K N -1.459 118.935 120.400 -0.009 0.000 3.096 307 K HA -0.164 4.155 4.320 -0.001 0.000 0.266 307 K C -0.946 175.659 176.600 0.008 0.000 1.043 307 K CA 0.216 56.500 56.287 -0.004 0.000 0.758 307 K CB -1.737 30.767 32.500 0.006 0.000 1.260 307 K HN 0.326 nan 8.250 nan 0.000 0.481 308 L N 1.345 122.580 121.223 0.021 0.000 2.417 308 L HA 0.101 4.440 4.340 -0.001 0.000 0.268 308 L C 0.881 177.753 176.870 0.004 0.000 1.158 308 L CA 0.614 55.465 54.840 0.018 0.000 0.819 308 L CB 0.795 42.877 42.059 0.039 0.000 1.112 308 L HN 0.083 nan 8.230 nan 0.000 0.458 309 Q N 2.351 122.148 119.800 -0.005 0.000 2.290 309 Q HA 0.166 4.506 4.340 -0.001 0.000 0.259 309 Q C -0.310 175.676 176.000 -0.023 0.000 0.941 309 Q CA -0.394 55.402 55.803 -0.013 0.000 0.912 309 Q CB 1.151 29.878 28.738 -0.017 0.000 1.244 309 Q HN 0.525 nan 8.270 nan 0.000 0.441 310 D N 1.006 121.394 120.400 -0.019 0.000 2.689 310 D HA -0.162 4.477 4.640 -0.001 0.000 0.237 310 D C -0.561 175.720 176.300 -0.030 0.000 1.148 310 D CA 0.322 54.307 54.000 -0.025 0.000 0.656 310 D CB -0.843 39.932 40.800 -0.042 0.000 1.050 310 D HN 0.710 nan 8.370 nan 0.000 0.426 311 C N 0.075 119.364 119.300 -0.018 0.000 2.540 311 C HA 0.620 5.079 4.460 -0.001 0.000 0.377 311 C C 0.887 175.870 174.990 -0.012 0.000 1.274 311 C CA -0.804 58.201 59.018 -0.022 0.000 1.718 311 C CB -0.122 27.613 27.740 -0.008 0.000 2.391 311 C HN 0.324 nan 8.230 nan 0.000 0.565 312 T N 6.704 121.246 114.554 -0.020 0.000 2.829 312 T HA 0.602 4.951 4.350 -0.001 0.000 0.282 312 T C 0.125 174.846 174.700 0.036 0.000 0.990 312 T CA -0.238 61.880 62.100 0.030 0.000 1.028 312 T CB 1.007 69.879 68.868 0.007 0.000 0.951 312 T HN 0.736 nan 8.240 nan 0.000 0.460 313 M N 2.827 122.498 119.600 0.118 0.000 2.662 313 M HA 0.645 5.125 4.480 -0.001 0.000 0.310 313 M C -1.423 175.000 176.300 0.206 0.000 1.204 313 M CA -1.174 54.191 55.300 0.108 0.000 0.891 313 M CB 2.172 34.822 32.600 0.082 0.000 1.732 313 M HN 0.326 nan 8.290 nan 0.000 0.467 314 L N 2.188 123.490 121.223 0.131 0.000 2.446 314 L HA 0.618 4.957 4.340 -0.001 0.000 0.268 314 L C -1.603 175.272 176.870 0.008 0.000 0.975 314 L CA -0.405 54.502 54.840 0.111 0.000 0.848 314 L CB 1.742 43.893 42.059 0.154 0.000 1.225 314 L HN 0.502 nan 8.230 nan 0.000 0.410 315 V N 4.182 124.080 119.914 -0.026 0.000 2.495 315 V HA 0.593 4.713 4.120 -0.001 0.000 0.298 315 V C -0.600 175.312 176.094 -0.302 0.000 1.031 315 V CA -0.604 61.651 62.300 -0.075 0.000 0.871 315 V CB 1.959 33.828 31.823 0.077 0.000 0.988 315 V HN 0.781 nan 8.190 nan 0.000 0.432 316 N N 3.547 122.008 118.700 -0.399 0.000 2.716 316 N HA 0.599 5.338 4.740 -0.001 0.000 0.253 316 N C 0.507 175.826 175.510 -0.318 0.000 1.170 316 N CA 0.565 53.111 53.050 -0.841 0.000 0.807 316 N CB 1.636 39.520 38.487 -1.006 0.000 1.183 316 N HN 1.095 nan 8.380 nan 0.000 0.524 317 G N 2.042 110.823 108.800 -0.033 0.000 2.543 317 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.286 317 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.286 317 G C 0.520 175.262 174.900 -0.263 0.000 1.153 317 G CA 0.566 45.675 45.100 0.015 0.000 0.968 317 G HN 0.562 nan 8.290 nan 0.000 0.544 318 D N 1.245 121.431 120.400 -0.357 0.000 2.349 318 D HA 0.056 4.695 4.640 -0.001 0.000 0.215 318 D C 0.390 176.549 176.300 -0.235 0.000 1.016 318 D CA 0.777 54.386 54.000 -0.651 0.000 0.870 318 D CB -0.092 40.406 40.800 -0.503 0.000 0.917 318 D HN 0.407 nan 8.370 nan 0.000 0.524 319 D N 0.936 121.257 120.400 -0.133 0.000 2.317 319 D HA 0.248 4.888 4.640 -0.001 0.000 0.252 319 D C -0.843 175.428 176.300 -0.049 0.000 1.174 319 D CA -0.400 53.565 54.000 -0.059 0.000 0.866 319 D CB 1.047 41.807 40.800 -0.066 0.000 1.127 319 D HN 0.077 nan 8.370 nan 0.000 0.467 320 L N 4.997 126.236 121.223 0.026 0.000 2.408 320 L HA 0.556 4.896 4.340 -0.001 0.000 0.268 320 L C -1.707 175.155 176.870 -0.013 0.000 0.986 320 L CA -0.763 54.100 54.840 0.037 0.000 0.820 320 L CB 1.991 44.137 42.059 0.145 0.000 1.303 320 L HN 0.135 nan 8.230 nan 0.000 0.411 321 V N 5.828 125.692 119.914 -0.083 0.000 2.686 321 V HA 0.801 4.921 4.120 -0.001 0.000 0.306 321 V C -1.629 174.299 176.094 -0.276 0.000 1.065 321 V CA -0.304 61.886 62.300 -0.184 0.000 0.894 321 V CB 2.225 33.984 31.823 -0.107 0.000 1.004 321 V HN 0.619 nan 8.190 nan 0.000 0.424 322 V N 7.752 127.312 119.914 -0.591 0.000 2.540 322 V HA 0.599 4.719 4.120 -0.001 0.000 0.302 322 V C -0.269 175.584 176.094 -0.402 0.000 1.035 322 V CA -0.440 61.513 62.300 -0.579 0.000 0.873 322 V CB 1.721 32.976 31.823 -0.947 0.000 0.992 322 V HN 0.797 nan 8.190 nan 0.000 0.428 323 I N 5.087 125.551 120.570 -0.176 0.000 2.418 323 I HA 0.646 4.816 4.170 -0.001 0.000 0.287 323 I C 0.019 176.077 176.117 -0.099 0.000 1.008 323 I CA -0.259 60.991 61.300 -0.084 0.000 1.104 323 I CB 1.555 39.543 38.000 -0.020 0.000 1.264 323 I HN 0.901 nan 8.210 nan 0.000 0.438 324 C N 2.579 121.820 119.300 -0.098 0.000 3.295 324 C HA 0.592 5.051 4.460 -0.001 0.000 0.370 324 C C -0.476 174.440 174.990 -0.124 0.000 1.974 324 C CA -0.899 58.066 59.018 -0.089 0.000 1.282 324 C CB 1.648 29.368 27.740 -0.034 0.000 2.380 324 C HN 0.560 nan 8.230 nan 0.000 0.443 325 E N 1.730 121.877 120.200 -0.087 0.000 2.259 325 E HA 0.368 4.717 4.350 -0.001 0.000 0.281 325 E C -0.066 176.504 176.600 -0.051 0.000 1.027 325 E CA 0.444 56.791 56.400 -0.088 0.000 0.838 325 E CB 1.753 31.413 29.700 -0.065 0.000 1.066 325 E HN 0.690 nan 8.360 nan 0.000 0.401 326 S N 1.488 117.164 115.700 -0.040 0.000 2.592 326 S HA 0.392 4.862 4.470 -0.001 0.000 0.271 326 S C 0.267 174.873 174.600 0.009 0.000 1.326 326 S CA 0.157 58.375 58.200 0.030 0.000 1.024 326 S CB 0.672 63.934 63.200 0.104 0.000 0.921 326 S HN 0.517 nan 8.310 nan 0.000 0.527 327 A N 2.348 125.182 122.820 0.024 0.000 2.605 327 A HA 0.657 4.976 4.320 -0.001 0.000 0.292 327 A C 0.634 178.218 177.584 0.000 0.000 1.055 327 A CA 0.173 52.212 52.037 0.003 0.000 0.969 327 A CB -0.496 18.504 19.000 0.000 0.000 1.236 327 A HN 1.936 nan 8.150 nan 0.000 0.534 328 G N -1.332 107.469 108.800 0.002 0.000 3.067 328 G HA2 0.124 4.083 3.960 -0.001 0.000 0.686 328 G HA3 0.124 4.083 3.960 -0.001 0.000 0.686 328 G C 0.609 175.515 174.900 0.011 0.000 1.119 328 G CA -0.033 45.050 45.100 -0.028 0.000 0.790 328 G HN 1.207 nan 8.290 nan 0.000 0.605 329 V N 1.894 121.787 119.914 -0.034 0.000 2.313 329 V HA -0.272 3.848 4.120 -0.001 0.000 0.253 329 V C 2.620 178.753 176.094 0.065 0.000 1.070 329 V CA 3.234 65.572 62.300 0.064 0.000 1.057 329 V CB -0.169 31.637 31.823 -0.029 0.000 0.653 329 V HN 0.812 nan 8.190 nan 0.000 0.450 330 Q N -0.730 119.081 119.800 0.019 0.000 2.123 330 Q HA -0.179 4.160 4.340 -0.001 0.000 0.199 330 Q C 2.208 178.214 176.000 0.011 0.000 0.966 330 Q CA 1.909 57.720 55.803 0.013 0.000 0.845 330 Q CB -0.245 28.493 28.738 0.000 0.000 0.907 330 Q HN 0.786 nan 8.270 nan 0.000 0.439 331 E N 1.169 121.374 120.200 0.010 0.000 2.072 331 E HA -0.128 4.222 4.350 -0.001 0.000 0.190 331 E C 1.351 177.952 176.600 0.002 0.000 0.982 331 E CA 1.082 57.484 56.400 0.004 0.000 0.803 331 E CB -0.004 29.697 29.700 0.001 0.000 0.755 331 E HN 0.187 nan 8.360 nan 0.000 0.453 332 D N 0.209 120.622 120.400 0.022 0.000 2.104 332 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 332 D C 1.772 178.046 176.300 -0.044 0.000 0.994 332 D CA 1.648 55.649 54.000 0.002 0.000 0.830 332 D CB -0.508 40.333 40.800 0.069 0.000 0.959 332 D HN 0.314 nan 8.370 nan 0.000 0.452 333 A N 1.031 123.843 122.820 -0.014 0.000 1.978 333 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 333 A C 2.308 179.867 177.584 -0.041 0.000 1.170 333 A CA 2.300 54.316 52.037 -0.034 0.000 0.636 333 A CB -0.588 18.410 19.000 -0.003 0.000 0.810 333 A HN 0.259 nan 8.150 nan 0.000 0.448 334 A N -0.771 122.034 122.820 -0.025 0.000 1.897 334 A HA -0.004 4.315 4.320 -0.001 0.000 0.215 334 A C 2.443 180.011 177.584 -0.026 0.000 1.181 334 A CA 1.867 53.892 52.037 -0.020 0.000 0.620 334 A CB -0.820 18.173 19.000 -0.011 0.000 0.821 334 A HN 0.445 nan 8.150 nan 0.000 0.443 335 S N 0.224 115.902 115.700 -0.036 0.000 2.356 335 S HA -0.111 4.359 4.470 -0.001 0.000 0.223 335 S C 1.831 176.402 174.600 -0.049 0.000 1.032 335 S CA 1.497 59.676 58.200 -0.034 0.000 1.005 335 S CB -0.494 62.679 63.200 -0.044 0.000 0.867 335 S HN 0.503 nan 8.310 nan 0.000 0.449 336 L N 0.728 121.861 121.223 -0.150 0.000 2.083 336 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 336 L C 2.701 179.558 176.870 -0.023 0.000 1.083 336 L CA 1.261 55.961 54.840 -0.233 0.000 0.752 336 L CB -0.516 41.279 42.059 -0.439 0.000 0.899 336 L HN 0.251 nan 8.230 nan 0.000 0.433 337 R N 0.157 120.644 120.500 -0.022 0.000 2.096 337 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 337 R C 2.374 178.688 176.300 0.024 0.000 1.127 337 R CA 1.419 57.526 56.100 0.012 0.000 0.968 337 R CB -0.178 30.119 30.300 -0.005 0.000 0.861 337 R HN 0.356 nan 8.270 nan 0.000 0.440 338 A N -0.283 122.550 122.820 0.021 0.000 1.929 338 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 338 A C 1.922 179.516 177.584 0.018 0.000 1.176 338 A CA 0.898 52.940 52.037 0.008 0.000 0.628 338 A CB -0.639 18.366 19.000 0.009 0.000 0.816 338 A HN 0.462 nan 8.150 nan 0.000 0.444 339 F N 1.548 121.447 119.950 -0.086 0.000 2.095 339 F HA -0.176 4.350 4.527 -0.002 0.000 0.298 339 F C 2.462 178.203 175.800 -0.098 0.000 1.104 339 F CA 2.385 60.332 58.000 -0.088 0.000 1.232 339 F CB -0.645 38.305 39.000 -0.083 0.000 0.987 339 F HN 0.208 nan 8.300 nan 0.000 0.475 340 T N -0.170 114.449 114.554 0.109 0.000 2.759 340 T HA -0.211 4.139 4.350 -0.001 0.000 0.269 340 T C 1.733 176.403 174.700 -0.050 0.000 1.042 340 T CA 1.756 63.914 62.100 0.097 0.000 1.140 340 T CB -0.356 68.651 68.868 0.231 0.000 0.864 340 T HN 0.378 nan 8.240 nan 0.000 0.455 341 E N 0.747 120.902 120.200 -0.075 0.000 2.077 341 E HA -0.051 4.299 4.350 -0.001 0.000 0.193 341 E C 2.519 178.977 176.600 -0.238 0.000 0.989 341 E CA 0.997 57.327 56.400 -0.117 0.000 0.800 341 E CB -0.201 29.446 29.700 -0.088 0.000 0.746 341 E HN 0.487 nan 8.360 nan 0.000 0.452 342 A N 1.022 123.645 122.820 -0.330 0.000 1.855 342 A HA -0.196 4.124 4.320 -0.001 0.000 0.215 342 A C 2.138 179.290 177.584 -0.720 0.000 1.191 342 A CA 1.317 53.013 52.037 -0.569 0.000 0.613 342 A CB -0.386 18.329 19.000 -0.474 0.000 0.829 342 A HN 0.137 nan 8.150 nan 0.000 0.442 343 M N -0.072 119.216 119.600 -0.520 0.000 2.106 343 M HA -0.147 4.333 4.480 -0.001 0.000 0.259 343 M C 2.156 178.373 176.300 -0.138 0.000 1.068 343 M CA 2.159 57.280 55.300 -0.298 0.000 1.100 343 M CB -1.989 30.332 32.600 -0.466 0.000 1.351 343 M HN 0.470 nan 8.290 nan 0.000 0.404 344 T N -0.207 114.260 114.554 -0.144 0.000 2.821 344 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 344 T C 1.961 176.586 174.700 -0.125 0.000 1.046 344 T CA 1.009 63.062 62.100 -0.078 0.000 1.139 344 T CB -0.164 68.667 68.868 -0.062 0.000 0.871 344 T HN 0.386 nan 8.240 nan 0.000 0.454 345 R N 0.033 120.380 120.500 -0.254 0.000 2.148 345 R HA -0.035 4.304 4.340 -0.001 0.000 0.227 345 R C 1.241 177.448 176.300 -0.155 0.000 1.103 345 R CA 0.978 56.924 56.100 -0.257 0.000 0.983 345 R CB -0.200 29.868 30.300 -0.386 0.000 0.874 345 R HN 0.441 nan 8.270 nan 0.000 0.451 346 Y N 0.128 120.365 120.300 -0.105 0.000 2.470 346 Y HA 0.109 4.659 4.550 0.000 0.000 0.302 346 Y C 0.824 176.671 175.900 -0.089 0.000 1.194 346 Y CA -0.467 57.565 58.100 -0.113 0.000 1.271 346 Y CB -0.264 38.157 38.460 -0.065 0.000 1.092 346 Y HN -0.046 nan 8.280 nan 0.000 0.513 347 S N 0.140 115.869 115.700 0.048 0.000 3.783 347 S HA -0.151 4.318 4.470 -0.001 0.000 0.360 347 S C -0.005 174.607 174.600 0.020 0.000 1.006 347 S CA 0.490 58.702 58.200 0.020 0.000 1.115 347 S CB -1.387 61.816 63.200 0.006 0.000 0.893 347 S HN 0.751 nan 8.310 nan 0.000 0.475 348 A N 1.727 124.577 122.820 0.050 0.000 3.410 348 A HA 0.586 4.905 4.320 -0.001 0.000 0.276 348 A C -2.236 175.460 177.584 0.186 0.000 0.995 348 A CA -0.729 51.366 52.037 0.097 0.000 0.934 348 A CB 0.933 20.019 19.000 0.145 0.000 1.191 348 A HN 0.465 nan 8.150 nan 0.000 0.511 349 P HA 0.280 nan 4.420 nan 0.000 0.271 349 P C -2.920 174.440 177.300 0.100 0.000 1.218 349 P CA -0.902 62.251 63.100 0.087 0.000 0.780 349 P CB 0.897 32.574 31.700 -0.038 0.000 0.901 350 P HA 0.140 nan 4.420 nan 0.000 0.284 350 P C 0.675 177.915 177.300 -0.101 0.000 1.258 350 P CA -0.113 62.887 63.100 -0.167 0.000 0.824 350 P CB 1.122 32.648 31.700 -0.291 0.000 1.038 351 G N 1.199 109.933 108.800 -0.111 0.000 2.437 351 G HA2 0.021 3.981 3.960 -0.001 0.000 0.212 351 G HA3 0.021 3.981 3.960 -0.001 0.000 0.212 351 G C -0.039 174.824 174.900 -0.061 0.000 1.174 351 G CA 0.260 45.325 45.100 -0.059 0.000 0.811 351 G HN 0.472 nan 8.290 nan 0.000 0.537 352 D N 1.362 121.712 120.400 -0.083 0.000 2.391 352 D HA 0.306 4.945 4.640 -0.001 0.000 0.245 352 D C -2.512 173.744 176.300 -0.072 0.000 1.069 352 D CA -1.082 52.882 54.000 -0.059 0.000 0.831 352 D CB 2.242 43.016 40.800 -0.043 0.000 1.204 352 D HN 0.073 nan 8.370 nan 0.000 0.503 353 P HA 0.061 nan 4.420 nan 0.000 0.262 353 P C -2.335 174.971 177.300 0.010 0.000 1.182 353 P CA -0.739 62.356 63.100 -0.007 0.000 0.761 353 P CB -0.204 31.498 31.700 0.004 0.000 0.795 354 P HA 0.099 nan 4.420 nan 0.000 0.271 354 P C -0.584 176.729 177.300 0.022 0.000 1.216 354 P CA 0.154 63.324 63.100 0.117 0.000 0.776 354 P CB 0.898 32.781 31.700 0.305 0.000 0.881 355 Q N 3.935 123.761 119.800 0.044 0.000 2.340 355 Q HA 0.419 4.759 4.340 -0.001 0.000 0.268 355 Q C -2.541 173.458 176.000 -0.001 0.000 1.031 355 Q CA -2.417 53.386 55.803 0.000 0.000 0.804 355 Q CB 2.364 31.114 28.738 0.019 0.000 1.286 355 Q HN 0.302 nan 8.270 nan 0.000 0.448 356 P HA 0.139 nan 4.420 nan 0.000 0.275 356 P C -0.990 176.161 177.300 -0.248 0.000 1.227 356 P CA 0.021 63.030 63.100 -0.152 0.000 0.781 356 P CB 1.089 32.681 31.700 -0.181 0.000 0.906 357 E N 2.027 122.041 120.200 -0.310 0.000 2.248 357 E HA 0.225 4.575 4.350 -0.001 0.000 0.267 357 E C -0.519 175.882 176.600 -0.333 0.000 0.877 357 E CA -0.520 55.727 56.400 -0.255 0.000 0.759 357 E CB 1.426 31.102 29.700 -0.039 0.000 1.182 357 E HN 0.416 nan 8.360 nan 0.000 0.418 358 Y N -0.262 120.199 120.300 0.269 0.000 2.481 358 Y HA 0.188 4.737 4.550 -0.001 0.000 0.247 358 Y C 0.380 176.554 175.900 0.457 0.000 1.151 358 Y CA -0.365 57.961 58.100 0.376 0.000 1.238 358 Y CB 0.977 39.548 38.460 0.185 0.000 1.179 358 Y HN 0.217 nan 8.280 nan 0.000 0.524 359 D N 0.588 121.135 120.400 0.246 0.000 2.462 359 D HA 0.109 4.749 4.640 -0.001 0.000 0.245 359 D C 0.875 176.939 176.300 -0.392 0.000 1.122 359 D CA -0.260 53.737 54.000 -0.005 0.000 0.864 359 D CB 1.576 42.388 40.800 0.021 0.000 1.098 359 D HN 0.110 nan 8.370 nan 0.000 0.541 360 L N 4.575 125.203 121.223 -0.991 0.000 2.051 360 L HA -0.183 4.157 4.340 -0.001 0.000 0.214 360 L C 1.624 178.179 176.870 -0.526 0.000 1.076 360 L CA 2.065 56.203 54.840 -1.170 0.000 0.758 360 L CB -0.386 40.806 42.059 -1.445 0.000 0.890 360 L HN 0.508 nan 8.230 nan 0.000 0.433 361 E N -0.833 119.159 120.200 -0.345 0.000 2.333 361 E HA -0.191 4.158 4.350 -0.001 0.000 0.198 361 E C 2.069 178.582 176.600 -0.145 0.000 1.007 361 E CA 0.979 57.261 56.400 -0.197 0.000 0.845 361 E CB -0.207 29.423 29.700 -0.117 0.000 0.766 361 E HN 0.558 nan 8.360 nan 0.000 0.507 362 L N 0.673 121.809 121.223 -0.144 0.000 2.558 362 L HA 0.142 4.481 4.340 -0.001 0.000 0.225 362 L C 0.791 177.612 176.870 -0.082 0.000 1.128 362 L CA -0.093 54.696 54.840 -0.084 0.000 0.868 362 L CB 0.202 42.234 42.059 -0.046 0.000 1.006 362 L HN 0.049 nan 8.230 nan 0.000 0.454 363 I N 0.211 120.705 120.570 -0.126 0.000 2.396 363 I HA 0.049 4.218 4.170 -0.001 0.000 0.289 363 I C 0.101 176.172 176.117 -0.077 0.000 1.056 363 I CA 0.300 61.544 61.300 -0.093 0.000 1.365 363 I CB 1.190 39.117 38.000 -0.121 0.000 1.407 363 I HN -0.104 nan 8.210 nan 0.000 0.509 364 T N 5.446 119.974 114.554 -0.043 0.000 2.772 364 T HA 0.402 4.751 4.350 -0.001 0.000 0.288 364 T C -0.245 174.444 174.700 -0.018 0.000 0.994 364 T CA -0.564 61.518 62.100 -0.031 0.000 0.951 364 T CB 0.782 69.637 68.868 -0.021 0.000 0.933 364 T HN 0.725 nan 8.240 nan 0.000 0.447 365 S N 1.347 117.037 115.700 -0.017 0.000 2.548 365 S HA 0.462 4.931 4.470 -0.001 0.000 0.286 365 S C 0.426 175.031 174.600 0.008 0.000 1.098 365 S CA -0.762 57.429 58.200 -0.014 0.000 0.930 365 S CB 1.029 64.207 63.200 -0.035 0.000 1.070 365 S HN 0.854 nan 8.310 nan 0.000 0.480 366 C N 1.868 121.173 119.300 0.008 0.000 4.274 366 C HA -0.200 4.260 4.460 -0.001 0.000 0.297 366 C C 1.286 176.332 174.990 0.092 0.000 1.446 366 C CA 0.968 60.010 59.018 0.041 0.000 2.016 366 C CB -3.063 24.696 27.740 0.032 0.000 1.273 366 C HN 1.605 nan 8.230 nan 0.000 0.782 367 S N -1.019 114.720 115.700 0.065 0.000 3.445 367 S HA -0.193 4.276 4.470 -0.001 0.000 0.319 367 S C 0.225 174.863 174.600 0.063 0.000 1.209 367 S CA 1.219 59.456 58.200 0.061 0.000 0.934 367 S CB -0.700 62.551 63.200 0.084 0.000 0.999 367 S HN 0.975 nan 8.310 nan 0.000 0.582 368 S N 1.307 117.051 115.700 0.073 0.000 2.667 368 S HA 0.783 5.252 4.470 -0.001 0.000 0.292 368 S C -0.515 174.097 174.600 0.020 0.000 1.126 368 S CA -0.811 57.438 58.200 0.082 0.000 0.881 368 S CB 1.729 65.055 63.200 0.211 0.000 1.132 368 S HN 0.612 nan 8.310 nan 0.000 0.492 369 N N -0.568 118.130 118.700 -0.004 0.000 2.494 369 N HA 0.460 5.199 4.740 -0.001 0.000 0.270 369 N C -1.515 173.931 175.510 -0.106 0.000 1.285 369 N CA -0.529 52.482 53.050 -0.065 0.000 0.812 369 N CB 1.010 39.449 38.487 -0.080 0.000 1.557 369 N HN 0.331 nan 8.380 nan 0.000 0.487 370 V N 0.288 120.114 119.914 -0.148 0.000 2.834 370 V HA 0.528 4.648 4.120 -0.001 0.000 0.301 370 V C 0.447 176.417 176.094 -0.207 0.000 1.066 370 V CA -0.034 62.158 62.300 -0.180 0.000 1.052 370 V CB 1.177 32.894 31.823 -0.176 0.000 1.021 370 V HN 0.874 nan 8.190 nan 0.000 0.480 371 S N 1.626 117.144 115.700 -0.303 0.000 2.625 371 S HA 0.712 5.182 4.470 -0.001 0.000 0.271 371 S C -1.495 173.007 174.600 -0.164 0.000 1.161 371 S CA -0.372 57.673 58.200 -0.260 0.000 0.820 371 S CB 1.968 64.960 63.200 -0.346 0.000 1.137 371 S HN 0.750 nan 8.310 nan 0.000 0.470 372 V N 1.383 121.290 119.914 -0.011 0.000 2.823 372 V HA 1.028 5.147 4.120 -0.001 0.000 0.312 372 V C -0.196 175.868 176.094 -0.049 0.000 1.072 372 V CA 0.343 62.572 62.300 -0.120 0.000 0.937 372 V CB 1.316 32.888 31.823 -0.418 0.000 1.013 372 V HN 1.401 nan 8.190 nan 0.000 0.430 373 A N 3.984 126.609 122.820 -0.325 0.000 2.535 373 A HA 0.952 5.272 4.320 -0.001 0.000 0.296 373 A C -1.657 175.411 177.584 -0.861 0.000 1.248 373 A CA -0.534 51.177 52.037 -0.544 0.000 0.686 373 A CB 1.596 20.070 19.000 -0.877 0.000 1.315 373 A HN 1.056 nan 8.150 nan 0.000 0.460 374 H N -0.145 118.559 119.070 -0.610 0.000 2.768 374 H HA 0.542 5.097 4.556 -0.001 0.000 0.371 374 H C -0.929 174.026 175.328 -0.622 0.000 1.151 374 H CA -0.269 55.438 56.048 -0.569 0.000 1.165 374 H CB 1.353 30.765 29.762 -0.583 0.000 1.722 374 H HN 0.825 nan 8.280 nan 0.000 0.543 375 D N 0.334 120.605 120.400 -0.215 0.000 2.539 375 D HA 0.414 5.054 4.640 -0.001 0.000 0.276 375 D C 1.318 177.691 176.300 0.122 0.000 1.206 375 D CA -0.426 53.530 54.000 -0.073 0.000 1.081 375 D CB 0.416 41.184 40.800 -0.052 0.000 1.142 375 D HN 0.497 nan 8.370 nan 0.000 0.595 376 A N -0.256 122.646 122.820 0.136 0.000 1.917 376 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 376 A C 2.115 179.771 177.584 0.119 0.000 1.182 376 A CA 2.084 54.206 52.037 0.141 0.000 0.633 376 A CB -1.199 17.849 19.000 0.080 0.000 0.819 376 A HN 0.461 nan 8.150 nan 0.000 0.448 377 S N -2.025 113.725 115.700 0.083 0.000 2.481 377 S HA 0.280 4.749 4.470 -0.001 0.000 0.231 377 S C 1.549 176.196 174.600 0.079 0.000 0.996 377 S CA 1.166 59.403 58.200 0.062 0.000 0.942 377 S CB -0.077 63.145 63.200 0.038 0.000 0.768 377 S HN 1.712 nan 8.310 nan 0.000 0.520 378 G N 1.573 110.443 108.800 0.118 0.000 2.175 378 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 378 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 378 G C 0.070 175.043 174.900 0.121 0.000 0.982 378 G CA 0.201 45.382 45.100 0.135 0.000 0.641 378 G HN 0.528 nan 8.290 nan 0.000 0.527 379 K N 0.958 121.383 120.400 0.042 0.000 2.326 379 K HA 0.419 4.739 4.320 -0.001 0.000 0.275 379 K C 0.754 177.275 176.600 -0.131 0.000 1.018 379 K CA -0.591 55.688 56.287 -0.012 0.000 0.962 379 K CB 0.289 32.774 32.500 -0.025 0.000 0.953 379 K HN 0.298 nan 8.250 nan 0.000 0.475 380 R N 2.002 122.381 120.500 -0.202 0.000 2.489 380 R HA 0.121 4.461 4.340 -0.001 0.000 0.287 380 R C -0.615 175.434 176.300 -0.418 0.000 1.053 380 R CA -0.255 55.559 56.100 -0.477 0.000 1.036 380 R CB 1.098 31.151 30.300 -0.411 0.000 0.966 380 R HN 0.380 nan 8.270 nan 0.000 0.432 381 V N 5.255 124.868 119.914 -0.502 0.000 2.525 381 V HA 0.329 4.448 4.120 -0.001 0.000 0.299 381 V C -1.395 174.530 176.094 -0.281 0.000 1.034 381 V CA -0.782 61.330 62.300 -0.313 0.000 0.863 381 V CB 1.166 32.859 31.823 -0.216 0.000 0.999 381 V HN 0.604 nan 8.190 nan 0.000 0.423 382 Y N 7.993 128.282 120.300 -0.018 0.000 2.335 382 Y HA 0.615 5.164 4.550 -0.001 0.000 0.331 382 Y C 0.127 176.089 175.900 0.104 0.000 1.094 382 Y CA 0.284 58.389 58.100 0.009 0.000 1.253 382 Y CB 0.953 39.377 38.460 -0.060 0.000 1.203 382 Y HN 0.821 nan 8.280 nan 0.000 0.508 383 Y N 1.035 121.377 120.300 0.070 0.000 2.625 383 Y HA 0.692 5.241 4.550 -0.000 0.000 0.338 383 Y C -2.129 173.825 175.900 0.090 0.000 1.123 383 Y CA -2.250 55.882 58.100 0.053 0.000 1.046 383 Y CB 0.646 39.107 38.460 0.002 0.000 1.299 383 Y HN 0.424 nan 8.280 nan 0.000 0.464 384 L N 1.958 123.186 121.223 0.008 0.000 2.307 384 L HA 0.783 5.122 4.340 -0.001 0.000 0.282 384 L C -0.035 176.944 176.870 0.181 0.000 1.051 384 L CA 0.427 55.274 54.840 0.010 0.000 0.804 384 L CB 1.428 43.563 42.059 0.125 0.000 1.197 384 L HN 1.057 nan 8.230 nan 0.000 0.431 385 T N 4.207 118.821 114.554 0.100 0.000 2.696 385 T HA 0.865 5.214 4.350 -0.001 0.000 0.291 385 T C -1.184 173.561 174.700 0.074 0.000 1.095 385 T CA -0.476 61.753 62.100 0.215 0.000 1.026 385 T CB 1.131 70.120 68.868 0.200 0.000 1.390 385 T HN 0.899 nan 8.240 nan 0.000 0.513 386 R N 0.257 120.749 120.500 -0.014 0.000 2.764 386 R HA 0.442 4.782 4.340 -0.001 0.000 0.276 386 R C -1.656 174.454 176.300 -0.317 0.000 1.021 386 R CA -0.993 55.008 56.100 -0.165 0.000 0.870 386 R CB 0.246 30.397 30.300 -0.248 0.000 1.293 386 R HN 0.520 nan 8.270 nan 0.000 0.469 387 D N 1.742 121.963 120.400 -0.299 0.000 2.371 387 D HA 0.084 4.724 4.640 -0.001 0.000 0.256 387 D C -1.342 174.599 176.300 -0.598 0.000 1.193 387 D CA -1.576 52.211 54.000 -0.355 0.000 0.881 387 D CB 1.373 42.052 40.800 -0.202 0.000 1.143 387 D HN 0.337 nan 8.370 nan 0.000 0.473 388 P HA -0.054 nan 4.420 nan 0.000 0.237 388 P C 1.213 178.218 177.300 -0.493 0.000 1.178 388 P CA 0.278 62.737 63.100 -1.069 0.000 0.766 388 P CB 0.366 31.370 31.700 -1.160 0.000 0.876 389 T N 0.452 114.826 114.554 -0.300 0.000 2.544 389 T HA -0.159 4.191 4.350 -0.001 0.000 0.264 389 T C 1.842 176.498 174.700 -0.074 0.000 1.096 389 T CA 2.680 64.701 62.100 -0.132 0.000 1.181 389 T CB -1.287 67.543 68.868 -0.064 0.000 0.864 389 T HN 0.192 nan 8.240 nan 0.000 0.415 390 T N 2.277 116.800 114.554 -0.052 0.000 2.720 390 T HA -0.075 4.275 4.350 -0.001 0.000 0.268 390 T C -0.611 174.080 174.700 -0.016 0.000 1.037 390 T CA 1.374 63.478 62.100 0.007 0.000 1.144 390 T CB -1.151 67.755 68.868 0.064 0.000 0.864 390 T HN 0.353 nan 8.240 nan 0.000 0.444 391 P HA 0.072 nan 4.420 nan 0.000 0.217 391 P C 1.464 178.824 177.300 0.100 0.000 1.151 391 P CA 0.777 63.898 63.100 0.034 0.000 0.828 391 P CB -0.107 31.576 31.700 -0.028 0.000 0.788 392 L N -1.447 119.791 121.223 0.025 0.000 2.131 392 L HA -0.043 4.297 4.340 -0.001 0.000 0.206 392 L C 2.396 179.333 176.870 0.112 0.000 1.087 392 L CA 1.132 56.020 54.840 0.080 0.000 0.767 392 L CB -1.034 41.031 42.059 0.011 0.000 0.917 392 L HN -0.059 nan 8.230 nan 0.000 0.441 393 A N 0.442 123.313 122.820 0.085 0.000 1.902 393 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 393 A C 2.371 180.046 177.584 0.152 0.000 1.181 393 A CA 1.500 53.606 52.037 0.115 0.000 0.623 393 A CB -0.414 18.635 19.000 0.083 0.000 0.818 393 A HN 0.311 nan 8.150 nan 0.000 0.443 394 R N -0.653 119.916 120.500 0.114 0.000 2.090 394 R HA 0.020 4.360 4.340 -0.001 0.000 0.228 394 R C 2.451 178.926 176.300 0.291 0.000 1.110 394 R CA 1.013 57.195 56.100 0.137 0.000 0.973 394 R CB -0.413 29.910 30.300 0.039 0.000 0.869 394 R HN 0.503 nan 8.270 nan 0.000 0.440 395 A N 1.288 124.312 122.820 0.340 0.000 1.933 395 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 395 A C 2.346 180.216 177.584 0.476 0.000 1.175 395 A CA 1.726 54.106 52.037 0.572 0.000 0.628 395 A CB -0.611 18.755 19.000 0.610 0.000 0.814 395 A HN 0.395 nan 8.150 nan 0.000 0.444 396 A N -1.365 121.628 122.820 0.289 0.000 1.902 396 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 396 A C 2.105 179.816 177.584 0.212 0.000 1.181 396 A CA 1.403 53.556 52.037 0.193 0.000 0.623 396 A CB -0.828 18.268 19.000 0.160 0.000 0.818 396 A HN 0.832 nan 8.150 nan 0.000 0.443 397 W N 1.160 122.517 121.300 0.094 0.000 2.379 397 W HA -0.117 4.542 4.660 -0.001 0.000 0.307 397 W C 1.488 178.059 176.519 0.087 0.000 1.200 397 W CA 1.814 59.197 57.345 0.062 0.000 1.297 397 W CB -0.307 29.170 29.460 0.029 0.000 1.140 397 W HN 0.555 nan 8.180 nan 0.000 0.507 398 E N -0.716 119.754 120.200 0.449 0.000 2.516 398 E HA -0.101 4.248 4.350 -0.001 0.000 0.199 398 E C 1.766 178.541 176.600 0.292 0.000 1.069 398 E CA 1.058 57.684 56.400 0.376 0.000 0.876 398 E CB -0.069 29.897 29.700 0.443 0.000 0.843 398 E HN 0.095 nan 8.360 nan 0.000 0.530 399 T N 0.105 114.803 114.554 0.241 0.000 3.014 399 T HA 0.056 4.405 4.350 -0.001 0.000 0.263 399 T C 1.608 176.289 174.700 -0.032 0.000 1.078 399 T CA 0.991 63.162 62.100 0.119 0.000 1.135 399 T CB 0.248 69.199 68.868 0.138 0.000 0.895 399 T HN 0.209 nan 8.240 nan 0.000 0.480 400 A N 0.407 123.173 122.820 -0.090 0.000 2.469 400 A HA 0.408 4.727 4.320 -0.001 0.000 0.245 400 A C 0.625 178.098 177.584 -0.185 0.000 1.221 400 A CA -0.247 51.694 52.037 -0.160 0.000 0.946 400 A CB 0.587 19.462 19.000 -0.209 0.000 1.049 400 A HN 0.087 nan 8.150 nan 0.000 0.529 401 R N 0.353 120.757 120.500 -0.160 0.000 2.564 401 R HA 0.348 4.687 4.340 -0.001 0.000 0.284 401 R C -1.704 174.582 176.300 -0.023 0.000 1.031 401 R CA -0.525 55.527 56.100 -0.080 0.000 0.904 401 R CB 0.962 31.236 30.300 -0.043 0.000 1.199 401 R HN 0.461 nan 8.270 nan 0.000 0.443 402 H N 0.600 119.737 119.070 0.111 0.000 2.652 402 H HA 0.271 4.826 4.556 -0.001 0.000 0.349 402 H C 0.590 175.989 175.328 0.119 0.000 1.099 402 H CA 0.586 56.703 56.048 0.115 0.000 1.417 402 H CB 0.986 30.790 29.762 0.069 0.000 1.457 402 H HN 0.579 nan 8.280 nan 0.000 0.568 403 T N -0.509 114.167 114.554 0.203 0.000 2.906 403 T HA 0.277 4.627 4.350 -0.001 0.000 0.295 403 T C -1.901 172.819 174.700 0.032 0.000 1.075 403 T CA -2.030 60.140 62.100 0.118 0.000 1.005 403 T CB 1.563 70.498 68.868 0.112 0.000 1.136 403 T HN 0.252 nan 8.240 nan 0.000 0.498 404 P HA 0.150 nan 4.420 nan 0.000 0.222 404 P C -0.332 176.919 177.300 -0.082 0.000 1.147 404 P CA 0.416 63.454 63.100 -0.104 0.000 0.790 404 P CB 0.162 31.800 31.700 -0.104 0.000 0.780 405 V N 0.661 120.540 119.914 -0.060 0.000 2.567 405 V HA 0.191 4.311 4.120 -0.001 0.000 0.298 405 V C -0.556 175.485 176.094 -0.089 0.000 1.047 405 V CA -0.914 61.339 62.300 -0.078 0.000 0.880 405 V CB 1.822 33.599 31.823 -0.078 0.000 1.009 405 V HN -0.041 nan 8.190 nan 0.000 0.429 406 N N 3.019 121.622 118.700 -0.162 0.000 2.482 406 N HA 0.054 4.794 4.740 -0.001 0.000 0.242 406 N C 1.417 176.688 175.510 -0.398 0.000 1.100 406 N CA 0.301 53.185 53.050 -0.278 0.000 0.946 406 N CB 1.679 39.867 38.487 -0.497 0.000 1.227 406 N HN 0.851 nan 8.380 nan 0.000 0.508 407 S N 2.287 117.880 115.700 -0.177 0.000 2.419 407 S HA -0.119 4.351 4.470 -0.001 0.000 0.233 407 S C 1.816 176.354 174.600 -0.104 0.000 1.016 407 S CA 0.209 58.345 58.200 -0.108 0.000 0.974 407 S CB -0.378 62.819 63.200 -0.005 0.000 0.786 407 S HN 0.800 nan 8.310 nan 0.000 0.492 408 W N 1.315 122.517 121.300 -0.163 0.000 2.363 408 W HA -0.006 4.653 4.660 -0.001 0.000 0.296 408 W C 1.683 178.111 176.519 -0.153 0.000 1.212 408 W CA 0.492 57.693 57.345 -0.241 0.000 1.260 408 W CB -1.036 27.861 29.460 -0.938 0.000 1.131 408 W HN 0.376 nan 8.180 nan 0.000 0.530 409 L N 2.842 123.320 121.223 -1.243 0.000 2.072 409 L HA 0.184 4.524 4.340 -0.001 0.000 0.205 409 L C 2.647 179.278 176.870 -0.397 0.000 1.079 409 L CA 2.756 56.969 54.840 -1.046 0.000 0.752 409 L CB -1.346 39.890 42.059 -1.372 0.000 0.906 409 L HN 0.036 nan 8.230 nan 0.000 0.436 410 G N -0.525 108.070 108.800 -0.341 0.000 2.421 410 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.216 410 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.216 410 G C 1.462 176.337 174.900 -0.043 0.000 1.171 410 G CA 0.799 45.792 45.100 -0.178 0.000 0.775 410 G HN 0.448 nan 8.290 nan 0.000 0.543 411 N N 0.519 119.258 118.700 0.065 0.000 2.166 411 N HA -0.017 4.723 4.740 -0.001 0.000 0.186 411 N C 2.233 177.855 175.510 0.186 0.000 1.019 411 N CA 0.638 53.849 53.050 0.268 0.000 0.856 411 N CB -0.131 38.612 38.487 0.427 0.000 0.993 411 N HN 0.340 nan 8.380 nan 0.000 0.426 412 I N 0.988 121.633 120.570 0.126 0.000 2.252 412 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 412 I C 2.015 178.170 176.117 0.063 0.000 1.102 412 I CA 0.803 62.165 61.300 0.103 0.000 1.385 412 I CB -0.115 38.015 38.000 0.217 0.000 1.064 412 I HN 0.035 nan 8.210 nan 0.000 0.414 413 I N 0.029 120.639 120.570 0.067 0.000 2.226 413 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 413 I C 2.441 178.653 176.117 0.158 0.000 1.100 413 I CA 1.244 62.618 61.300 0.123 0.000 1.374 413 I CB -0.220 37.832 38.000 0.087 0.000 1.057 413 I HN 0.242 nan 8.210 nan 0.000 0.413 414 M N -0.843 118.745 119.600 -0.019 0.000 2.334 414 M HA -0.073 4.407 4.480 -0.001 0.000 0.266 414 M C 1.006 177.044 176.300 -0.437 0.000 1.082 414 M CA 1.607 56.769 55.300 -0.230 0.000 1.141 414 M CB -0.617 31.691 32.600 -0.485 0.000 1.380 414 M HN 0.184 nan 8.290 nan 0.000 0.440 415 Y N -0.567 119.714 120.300 -0.033 0.000 2.720 415 Y HA 0.499 5.048 4.550 -0.001 0.000 0.268 415 Y C 1.808 177.453 175.900 -0.426 0.000 1.142 415 Y CA -0.418 57.552 58.100 -0.217 0.000 1.193 415 Y CB -0.967 37.313 38.460 -0.300 0.000 1.176 415 Y HN 0.146 nan 8.280 nan 0.000 0.542 416 A N 0.953 123.573 122.820 -0.334 0.000 1.958 416 A HA -0.178 4.141 4.320 -0.001 0.000 0.221 416 A C -0.402 176.931 177.584 -0.418 0.000 1.178 416 A CA 1.793 53.616 52.037 -0.356 0.000 0.642 416 A CB -1.352 17.457 19.000 -0.318 0.000 0.816 416 A HN 0.289 nan 8.150 nan 0.000 0.453 417 P HA 0.002 nan 4.420 nan 0.000 0.229 417 P C 0.766 177.876 177.300 -0.318 0.000 1.160 417 P CA 1.289 64.160 63.100 -0.381 0.000 0.777 417 P CB -0.374 31.134 31.700 -0.319 0.000 0.814 418 T N -2.497 111.874 114.554 -0.305 0.000 2.860 418 T HA 0.088 4.438 4.350 -0.001 0.000 0.299 418 T C 1.114 175.446 174.700 -0.613 0.000 1.045 418 T CA -0.614 61.259 62.100 -0.378 0.000 1.071 418 T CB 0.507 68.966 68.868 -0.682 0.000 0.985 418 T HN -0.174 nan 8.240 nan 0.000 0.537 419 L N 1.888 122.641 121.223 -0.784 0.000 2.017 419 L HA 0.059 4.398 4.340 -0.001 0.000 0.208 419 L C 2.415 178.984 176.870 -0.501 0.000 1.073 419 L CA 1.577 55.907 54.840 -0.849 0.000 0.745 419 L CB -1.036 40.415 42.059 -1.013 0.000 0.894 419 L HN 0.925 nan 8.230 nan 0.000 0.432 420 W N -0.507 120.580 121.300 -0.355 0.000 2.418 420 W HA 0.047 4.706 4.660 -0.001 0.000 0.292 420 W C 2.001 178.385 176.519 -0.225 0.000 1.213 420 W CA 0.838 58.015 57.345 -0.279 0.000 1.283 420 W CB -1.441 27.897 29.460 -0.205 0.000 1.119 420 W HN 0.320 nan 8.180 nan 0.000 0.542 421 A N 2.102 124.421 122.820 -0.834 0.000 1.877 421 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 421 A C 2.254 179.671 177.584 -0.278 0.000 1.186 421 A CA 2.131 53.810 52.037 -0.598 0.000 0.620 421 A CB -0.829 17.654 19.000 -0.860 0.000 0.822 421 A HN 0.321 nan 8.150 nan 0.000 0.443 422 R N -1.275 118.994 120.500 -0.384 0.000 2.057 422 R HA -0.001 4.338 4.340 -0.001 0.000 0.229 422 R C 2.410 178.518 176.300 -0.320 0.000 1.136 422 R CA 1.532 57.437 56.100 -0.326 0.000 0.952 422 R CB -0.454 29.522 30.300 -0.540 0.000 0.848 422 R HN 0.647 nan 8.270 nan 0.000 0.430 423 M N 0.463 119.703 119.600 -0.600 0.000 2.080 423 M HA -0.175 4.305 4.480 -0.001 0.000 0.260 423 M C 1.633 177.729 176.300 -0.339 0.000 1.068 423 M CA 1.928 56.900 55.300 -0.546 0.000 1.109 423 M CB 0.111 32.405 32.600 -0.510 0.000 1.342 423 M HN 0.113 nan 8.290 nan 0.000 0.405 424 I N -1.004 119.257 120.570 -0.514 0.000 2.962 424 I HA -0.111 4.058 4.170 -0.001 0.000 0.246 424 I C 2.100 178.059 176.117 -0.263 0.000 1.091 424 I CA 0.166 60.934 61.300 -0.887 0.000 1.469 424 I CB -0.470 37.014 38.000 -0.860 0.000 1.324 424 I HN 0.208 nan 8.210 nan 0.000 0.461 425 L N 0.317 121.570 121.223 0.050 0.000 1.990 425 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 425 L C 2.713 179.895 176.870 0.520 0.000 1.072 425 L CA 1.825 56.908 54.840 0.405 0.000 0.755 425 L CB -0.531 41.792 42.059 0.440 0.000 0.889 425 L HN 0.321 nan 8.230 nan 0.000 0.432 426 M N -0.936 118.917 119.600 0.421 0.000 2.086 426 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 426 M C 2.328 179.120 176.300 0.821 0.000 1.067 426 M CA 2.159 57.803 55.300 0.574 0.000 1.116 426 M CB -0.447 32.308 32.600 0.258 0.000 1.348 426 M HN 0.279 nan 8.290 nan 0.000 0.407 427 T N -1.527 113.485 114.554 0.763 0.000 2.737 427 T HA -0.207 4.143 4.350 -0.001 0.000 0.265 427 T C 1.578 176.560 174.700 0.468 0.000 1.038 427 T CA 1.771 64.262 62.100 0.651 0.000 1.144 427 T CB -0.517 68.760 68.868 0.682 0.000 0.866 427 T HN 0.459 nan 8.240 nan 0.000 0.434 428 H N 0.640 119.878 119.070 0.280 0.000 2.256 428 H HA -0.020 4.536 4.556 -0.001 0.000 0.299 428 H C 1.794 177.020 175.328 -0.171 0.000 1.071 428 H CA 1.641 57.732 56.048 0.071 0.000 1.280 428 H CB -0.635 29.029 29.762 -0.163 0.000 1.370 428 H HN 0.324 nan 8.280 nan 0.000 0.490 429 F N -0.915 118.961 119.950 -0.123 0.000 2.234 429 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 429 F C 2.155 177.752 175.800 -0.339 0.000 1.087 429 F CA 0.749 58.428 58.000 -0.534 0.000 1.340 429 F CB -0.615 37.684 39.000 -1.169 0.000 1.031 429 F HN 0.158 nan 8.300 nan 0.000 0.500 430 F N -0.413 119.599 119.950 0.102 0.000 2.186 430 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 430 F C 2.754 178.575 175.800 0.034 0.000 1.090 430 F CA 1.478 59.570 58.000 0.153 0.000 1.307 430 F CB -0.871 38.343 39.000 0.357 0.000 1.019 430 F HN -0.074 nan 8.300 nan 0.000 0.489 431 S N 0.565 116.341 115.700 0.128 0.000 2.359 431 S HA -0.223 4.247 4.470 -0.001 0.000 0.224 431 S C 2.148 176.706 174.600 -0.071 0.000 1.035 431 S CA 1.748 59.950 58.200 0.003 0.000 1.018 431 S CB -0.548 62.633 63.200 -0.032 0.000 0.876 431 S HN 0.355 nan 8.310 nan 0.000 0.448 432 I N 1.231 121.692 120.570 -0.181 0.000 2.179 432 I HA -0.174 3.995 4.170 -0.001 0.000 0.242 432 I C 2.314 178.375 176.117 -0.094 0.000 1.088 432 I CA 1.161 62.350 61.300 -0.186 0.000 1.357 432 I CB -0.401 37.415 38.000 -0.306 0.000 1.051 432 I HN 0.326 nan 8.210 nan 0.000 0.409 433 L N 0.134 121.301 121.223 -0.093 0.000 2.079 433 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 433 L C 2.540 179.411 176.870 0.002 0.000 1.081 433 L CA 1.365 56.175 54.840 -0.050 0.000 0.752 433 L CB -0.515 41.470 42.059 -0.125 0.000 0.896 433 L HN 0.304 nan 8.230 nan 0.000 0.433 434 L N -0.509 120.727 121.223 0.022 0.000 2.056 434 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 434 L C 2.851 179.729 176.870 0.013 0.000 1.078 434 L CA 1.149 56.013 54.840 0.039 0.000 0.749 434 L CB -0.605 41.484 42.059 0.051 0.000 0.901 434 L HN 0.213 nan 8.230 nan 0.000 0.433 435 A N -0.971 121.844 122.820 -0.008 0.000 1.972 435 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 435 A C 2.027 179.610 177.584 -0.003 0.000 1.169 435 A CA 1.292 53.321 52.037 -0.013 0.000 0.635 435 A CB -0.192 18.788 19.000 -0.033 0.000 0.810 435 A HN 0.421 nan 8.150 nan 0.000 0.446 436 Q N -0.590 119.212 119.800 0.003 0.000 2.282 436 Q HA 0.087 4.427 4.340 -0.001 0.000 0.206 436 Q C -0.540 175.475 176.000 0.026 0.000 0.878 436 Q CA 0.212 56.026 55.803 0.018 0.000 0.944 436 Q CB 0.228 28.984 28.738 0.030 0.000 1.100 436 Q HN 0.717 nan 8.270 nan 0.000 0.509 437 E N 0.782 120.998 120.200 0.025 0.000 2.360 437 E HA -0.230 4.120 4.350 -0.001 0.000 0.238 437 E C -0.501 176.123 176.600 0.040 0.000 1.186 437 E CA 0.469 56.889 56.400 0.033 0.000 0.719 437 E CB -1.469 28.248 29.700 0.028 0.000 1.236 437 E HN 0.556 nan 8.360 nan 0.000 0.386 438 Q N -0.178 119.647 119.800 0.041 0.000 2.263 438 Q HA 0.280 4.620 4.340 -0.001 0.000 0.337 438 Q C 1.639 177.669 176.000 0.050 0.000 0.906 438 Q CA -0.229 55.604 55.803 0.050 0.000 1.124 438 Q CB 0.443 29.218 28.738 0.062 0.000 1.255 438 Q HN 0.315 nan 8.270 nan 0.000 0.435 439 L N 0.018 121.274 121.223 0.055 0.000 2.109 439 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 439 L C 1.943 178.862 176.870 0.081 0.000 1.086 439 L CA 1.306 56.187 54.840 0.068 0.000 0.760 439 L CB 0.145 42.274 42.059 0.116 0.000 0.910 439 L HN 0.365 nan 8.230 nan 0.000 0.437 440 E N 0.451 120.695 120.200 0.074 0.000 2.437 440 E HA -0.044 4.305 4.350 -0.001 0.000 0.189 440 E C 0.498 177.138 176.600 0.066 0.000 1.054 440 E CA -0.159 56.284 56.400 0.071 0.000 0.874 440 E CB 0.410 30.148 29.700 0.062 0.000 1.011 440 E HN 0.094 nan 8.360 nan 0.000 0.474 441 K N 1.099 121.539 120.400 0.068 0.000 2.267 441 K HA 0.307 4.626 4.320 -0.001 0.000 0.282 441 K C -0.656 175.988 176.600 0.073 0.000 1.078 441 K CA -0.355 55.972 56.287 0.067 0.000 0.903 441 K CB 0.870 33.412 32.500 0.070 0.000 1.111 441 K HN 0.017 nan 8.250 nan 0.000 0.475 442 A N 5.363 128.224 122.820 0.069 0.000 2.511 442 A HA 0.222 4.542 4.320 -0.001 0.000 0.242 442 A C -0.425 177.196 177.584 0.062 0.000 1.069 442 A CA 0.034 52.111 52.037 0.068 0.000 0.763 442 A CB 0.049 19.094 19.000 0.074 0.000 1.001 442 A HN 0.792 nan 8.150 nan 0.000 0.498 443 L N 2.142 123.389 121.223 0.040 0.000 2.354 443 L HA 0.379 4.719 4.340 -0.001 0.000 0.269 443 L C -0.736 176.120 176.870 -0.022 0.000 1.005 443 L CA -1.048 53.799 54.840 0.012 0.000 0.819 443 L CB 2.007 44.060 42.059 -0.010 0.000 1.311 443 L HN 0.597 nan 8.230 nan 0.000 0.423 444 D N 1.439 121.826 120.400 -0.021 0.000 2.304 444 D HA 0.433 5.072 4.640 -0.001 0.000 0.250 444 D C -0.388 175.854 176.300 -0.097 0.000 1.107 444 D CA 0.012 54.002 54.000 -0.016 0.000 0.885 444 D CB 1.589 42.394 40.800 0.008 0.000 1.192 444 D HN 0.601 nan 8.370 nan 0.000 0.436 445 C N 0.593 119.835 119.300 -0.096 0.000 3.323 445 C HA 0.683 5.142 4.460 -0.001 0.000 0.324 445 C C -1.182 173.756 174.990 -0.087 0.000 1.428 445 C CA -0.803 58.123 59.018 -0.155 0.000 1.368 445 C CB 1.565 29.149 27.740 -0.260 0.000 1.731 445 C HN 0.534 nan 8.230 nan 0.000 0.455 446 Q N 0.508 120.250 119.800 -0.097 0.000 2.365 446 Q HA 0.752 5.092 4.340 -0.001 0.000 0.269 446 Q C -1.394 174.548 176.000 -0.096 0.000 1.061 446 Q CA -0.480 55.300 55.803 -0.037 0.000 0.816 446 Q CB 2.593 31.321 28.738 -0.016 0.000 1.325 446 Q HN 0.741 nan 8.270 nan 0.000 0.446 447 I N 2.609 123.132 120.570 -0.078 0.000 2.468 447 I HA 0.194 4.364 4.170 -0.001 0.000 0.284 447 I C -1.131 175.003 176.117 0.028 0.000 1.038 447 I CA -0.788 60.365 61.300 -0.246 0.000 1.083 447 I CB 1.075 38.597 38.000 -0.796 0.000 1.223 447 I HN 0.656 nan 8.210 nan 0.000 0.443 448 Y N 5.072 125.414 120.300 0.071 0.000 3.389 448 Y HA -0.253 4.297 4.550 -0.001 0.000 0.213 448 Y C 1.458 177.325 175.900 -0.054 0.000 1.272 448 Y CA 1.122 59.246 58.100 0.041 0.000 1.444 448 Y CB -1.981 36.508 38.460 0.048 0.000 1.445 448 Y HN 0.985 nan 8.280 nan 0.000 0.583 449 G N -2.110 106.778 108.800 0.147 0.000 2.284 449 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.247 449 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.247 449 G C 0.536 175.477 174.900 0.068 0.000 1.012 449 G CA 0.222 45.370 45.100 0.079 0.000 0.618 449 G HN 1.597 nan 8.290 nan 0.000 0.521 450 A N -0.369 122.518 122.820 0.112 0.000 2.340 450 A HA 0.609 4.929 4.320 -0.001 0.000 0.268 450 A C 0.685 178.158 177.584 -0.184 0.000 1.100 450 A CA 0.545 52.502 52.037 -0.132 0.000 0.803 450 A CB 0.823 19.666 19.000 -0.262 0.000 1.043 450 A HN 1.477 nan 8.150 nan 0.000 0.488 451 C N 2.522 121.609 119.300 -0.354 0.000 2.330 451 C HA 0.753 5.212 4.460 -0.001 0.000 0.344 451 C C -1.087 173.602 174.990 -0.503 0.000 1.273 451 C CA -0.423 58.477 59.018 -0.195 0.000 1.879 451 C CB -1.260 26.494 27.740 0.023 0.000 2.376 451 C HN 0.644 nan 8.230 nan 0.000 0.534 452 Y N 2.707 122.846 120.300 -0.270 0.000 2.499 452 Y HA 0.475 5.025 4.550 -0.001 0.000 0.347 452 Y C 0.354 176.161 175.900 -0.156 0.000 0.987 452 Y CA -0.540 57.354 58.100 -0.344 0.000 1.044 452 Y CB 1.696 39.869 38.460 -0.477 0.000 1.245 452 Y HN 0.579 nan 8.280 nan 0.000 0.461 453 S N 3.681 119.405 115.700 0.041 0.000 2.438 453 S HA 0.761 5.231 4.470 -0.001 0.000 0.293 453 S C -0.922 173.736 174.600 0.097 0.000 1.141 453 S CA -0.257 58.008 58.200 0.110 0.000 1.080 453 S CB -0.375 62.930 63.200 0.175 0.000 0.978 453 S HN 0.558 nan 8.310 nan 0.000 0.479 454 I N 3.478 124.089 120.570 0.067 0.000 2.647 454 I HA 0.384 4.553 4.170 -0.001 0.000 0.295 454 I C -0.409 175.747 176.117 0.064 0.000 1.078 454 I CA -0.693 60.654 61.300 0.079 0.000 1.048 454 I CB 2.450 40.487 38.000 0.061 0.000 1.239 454 I HN 0.585 nan 8.210 nan 0.000 0.421 455 E N 6.232 126.483 120.200 0.086 0.000 2.146 455 E HA 0.225 4.574 4.350 -0.001 0.000 0.282 455 E C -1.861 174.805 176.600 0.110 0.000 0.989 455 E CA -1.600 54.852 56.400 0.087 0.000 0.799 455 E CB 1.525 31.276 29.700 0.086 0.000 1.088 455 E HN 0.298 nan 8.360 nan 0.000 0.397 456 P HA -0.202 nan 4.420 nan 0.000 0.217 456 P C 0.915 178.384 177.300 0.283 0.000 1.148 456 P CA 1.146 64.349 63.100 0.172 0.000 0.834 456 P CB 0.221 31.954 31.700 0.054 0.000 0.783 457 L N -0.964 120.387 121.223 0.214 0.000 2.362 457 L HA -0.112 4.227 4.340 -0.001 0.000 0.219 457 L C 1.372 178.334 176.870 0.154 0.000 1.134 457 L CA 1.149 56.117 54.840 0.213 0.000 0.807 457 L CB -0.604 41.544 42.059 0.148 0.000 0.927 457 L HN -0.011 nan 8.230 nan 0.000 0.447 458 D N -0.479 120.000 120.400 0.133 0.000 2.350 458 D HA 0.019 4.659 4.640 -0.001 0.000 0.213 458 D C 2.273 178.634 176.300 0.101 0.000 1.031 458 D CA 0.223 54.274 54.000 0.085 0.000 0.861 458 D CB 0.375 41.213 40.800 0.064 0.000 0.926 458 D HN 0.283 nan 8.370 nan 0.000 0.520 459 L N 1.116 122.443 121.223 0.173 0.000 2.021 459 L HA -0.196 4.144 4.340 -0.001 0.000 0.215 459 L C -0.428 176.544 176.870 0.171 0.000 1.074 459 L CA 1.834 56.793 54.840 0.199 0.000 0.760 459 L CB -1.578 40.666 42.059 0.310 0.000 0.889 459 L HN 0.052 nan 8.230 nan 0.000 0.433 460 P HA -0.211 nan 4.420 nan 0.000 0.215 460 P C 1.454 178.815 177.300 0.102 0.000 1.157 460 P CA 1.425 64.569 63.100 0.073 0.000 0.874 460 P CB 0.001 31.580 31.700 -0.202 0.000 0.790 461 Q N -0.929 118.867 119.800 -0.007 0.000 2.084 461 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 461 Q C 2.232 178.219 176.000 -0.021 0.000 0.978 461 Q CA 1.219 57.001 55.803 -0.035 0.000 0.844 461 Q CB -0.617 28.084 28.738 -0.062 0.000 0.898 461 Q HN 0.283 nan 8.270 nan 0.000 0.426 462 I N 0.464 121.027 120.570 -0.013 0.000 2.226 462 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 462 I C 2.180 178.294 176.117 -0.004 0.000 1.100 462 I CA 1.149 62.407 61.300 -0.071 0.000 1.374 462 I CB -0.251 37.743 38.000 -0.010 0.000 1.057 462 I HN 0.212 nan 8.210 nan 0.000 0.413 463 I N 0.635 121.276 120.570 0.118 0.000 2.226 463 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 463 I C 2.650 178.785 176.117 0.030 0.000 1.100 463 I CA 1.476 62.869 61.300 0.155 0.000 1.374 463 I CB -0.385 37.725 38.000 0.182 0.000 1.057 463 I HN 0.324 nan 8.210 nan 0.000 0.413 464 E N 1.254 121.496 120.200 0.070 0.000 2.051 464 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 464 E C 2.371 178.953 176.600 -0.030 0.000 0.991 464 E CA 1.028 57.448 56.400 0.033 0.000 0.799 464 E CB 0.034 29.823 29.700 0.148 0.000 0.748 464 E HN 0.252 nan 8.360 nan 0.000 0.449 465 R N 0.160 120.626 120.500 -0.057 0.000 2.120 465 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 465 R C 2.362 178.582 176.300 -0.133 0.000 1.123 465 R CA 0.911 56.949 56.100 -0.102 0.000 0.975 465 R CB -0.272 29.935 30.300 -0.156 0.000 0.866 465 R HN 0.397 nan 8.270 nan 0.000 0.446 466 L N -1.267 119.847 121.223 -0.181 0.000 2.298 466 L HA 0.032 4.372 4.340 -0.001 0.000 0.209 466 L C 1.671 178.234 176.870 -0.511 0.000 1.084 466 L CA 0.701 55.343 54.840 -0.330 0.000 0.816 466 L CB -0.151 41.666 42.059 -0.404 0.000 0.967 466 L HN 0.210 nan 8.230 nan 0.000 0.460 467 H N -0.681 118.330 119.070 -0.098 0.000 3.205 467 H HA 0.322 4.877 4.556 -0.001 0.000 0.252 467 H C 0.832 176.078 175.328 -0.136 0.000 1.015 467 H CA 0.795 56.769 56.048 -0.124 0.000 1.192 467 H CB 1.234 30.893 29.762 -0.171 0.000 1.474 467 H HN 0.226 nan 8.280 nan 0.000 0.484 468 G N 1.223 109.998 108.800 -0.041 0.000 2.705 468 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.686 468 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.686 468 G C 0.704 175.541 174.900 -0.104 0.000 1.285 468 G CA -0.147 44.925 45.100 -0.047 0.000 0.800 468 G HN 0.217 nan 8.290 nan 0.000 0.611 469 L N 1.068 122.292 121.223 0.001 0.000 2.197 469 L HA -0.235 4.105 4.340 -0.001 0.000 0.215 469 L C 3.203 180.078 176.870 0.009 0.000 1.095 469 L CA 2.504 57.405 54.840 0.102 0.000 0.764 469 L CB -0.501 41.677 42.059 0.198 0.000 0.897 469 L HN 0.975 nan 8.230 nan 0.000 0.436 470 S N -0.334 115.338 115.700 -0.047 0.000 2.419 470 S HA -0.179 4.290 4.470 -0.001 0.000 0.235 470 S C 2.104 176.616 174.600 -0.147 0.000 1.019 470 S CA 0.822 58.982 58.200 -0.067 0.000 0.982 470 S CB -0.408 62.746 63.200 -0.077 0.000 0.789 470 S HN 0.408 nan 8.310 nan 0.000 0.490 471 A N 0.792 123.440 122.820 -0.286 0.000 2.019 471 A HA 0.155 4.474 4.320 -0.001 0.000 0.219 471 A C 1.520 178.911 177.584 -0.322 0.000 1.164 471 A CA 0.998 52.793 52.037 -0.404 0.000 0.644 471 A CB -0.805 17.850 19.000 -0.575 0.000 0.805 471 A HN 0.578 nan 8.150 nan 0.000 0.449 472 F N 0.008 119.978 119.950 0.033 0.000 2.765 472 F HA 0.131 4.657 4.527 -0.001 0.000 0.302 472 F C 1.650 177.500 175.800 0.083 0.000 1.111 472 F CA 0.497 58.541 58.000 0.073 0.000 1.359 472 F CB 0.064 39.135 39.000 0.119 0.000 1.097 472 F HN 0.245 nan 8.300 nan 0.000 0.577 473 S N -1.559 114.243 115.700 0.169 0.000 2.960 473 S HA 0.316 4.786 4.470 -0.001 0.000 0.256 473 S C 0.005 174.667 174.600 0.103 0.000 1.017 473 S CA -0.387 57.906 58.200 0.156 0.000 1.144 473 S CB -0.626 62.656 63.200 0.137 0.000 1.109 473 S HN 0.032 nan 8.310 nan 0.000 0.638 474 L N 3.195 124.401 121.223 -0.028 0.000 2.461 474 L HA 0.468 4.807 4.340 -0.001 0.000 0.272 474 L C 0.546 177.333 176.870 -0.139 0.000 1.197 474 L CA 0.130 54.832 54.840 -0.231 0.000 0.836 474 L CB 0.110 41.899 42.059 -0.450 0.000 1.105 474 L HN 0.674 nan 8.230 nan 0.000 0.477 475 H N -1.658 117.218 119.070 -0.323 0.000 2.932 475 H HA 0.334 4.889 4.556 -0.001 0.000 0.307 475 H C -0.512 174.703 175.328 -0.189 0.000 1.391 475 H CA -0.887 55.063 56.048 -0.163 0.000 1.130 475 H CB 0.914 30.675 29.762 -0.001 0.000 1.836 475 H HN 0.393 nan 8.280 nan 0.000 0.522 476 S N -0.103 115.689 115.700 0.154 0.000 3.527 476 S HA -0.222 4.247 4.470 -0.001 0.000 0.409 476 S C -0.568 174.066 174.600 0.057 0.000 0.900 476 S CA 0.518 58.790 58.200 0.120 0.000 1.320 476 S CB -2.348 60.864 63.200 0.021 0.000 0.915 476 S HN 0.531 nan 8.310 nan 0.000 0.575 477 Y N 1.592 121.935 120.300 0.071 0.000 2.258 477 Y HA 0.359 4.908 4.550 -0.001 0.000 0.345 477 Y C 1.425 177.384 175.900 0.099 0.000 1.303 477 Y CA 0.231 58.375 58.100 0.073 0.000 1.537 477 Y CB 0.281 38.777 38.460 0.061 0.000 1.383 477 Y HN 0.567 nan 8.280 nan 0.000 0.606 478 S N 0.782 116.642 115.700 0.267 0.000 2.585 478 S HA 0.141 4.611 4.470 -0.001 0.000 0.273 478 S C -2.039 172.647 174.600 0.144 0.000 1.339 478 S CA -1.035 57.264 58.200 0.166 0.000 1.028 478 S CB 1.191 64.466 63.200 0.124 0.000 0.906 478 S HN 0.406 nan 8.310 nan 0.000 0.528 479 P HA 0.027 nan 4.420 nan 0.000 0.215 479 P C 1.726 179.067 177.300 0.067 0.000 1.153 479 P CA 1.622 64.769 63.100 0.079 0.000 0.853 479 P CB -0.430 31.306 31.700 0.061 0.000 0.788 480 G N -0.131 108.705 108.800 0.059 0.000 2.418 480 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 480 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 480 G C 1.667 176.595 174.900 0.046 0.000 1.158 480 G CA 0.898 46.023 45.100 0.042 0.000 0.771 480 G HN 0.255 nan 8.290 nan 0.000 0.545 481 E N 0.733 120.979 120.200 0.077 0.000 2.047 481 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 481 E C 2.437 179.079 176.600 0.070 0.000 0.987 481 E CA 0.784 57.240 56.400 0.092 0.000 0.799 481 E CB -0.418 29.395 29.700 0.187 0.000 0.752 481 E HN 0.493 nan 8.360 nan 0.000 0.449 482 I N 0.960 121.581 120.570 0.084 0.000 2.208 482 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 482 I C 1.976 178.115 176.117 0.036 0.000 1.097 482 I CA 1.227 62.562 61.300 0.059 0.000 1.363 482 I CB -0.448 37.601 38.000 0.082 0.000 1.051 482 I HN 0.184 nan 8.210 nan 0.000 0.413 483 N N 0.671 119.393 118.700 0.036 0.000 2.188 483 N HA -0.190 4.549 4.740 -0.001 0.000 0.184 483 N C 1.931 177.446 175.510 0.007 0.000 1.018 483 N CA 1.065 54.129 53.050 0.023 0.000 0.858 483 N CB -0.395 38.106 38.487 0.024 0.000 0.989 483 N HN 0.374 nan 8.380 nan 0.000 0.426 484 R N 1.129 121.628 120.500 -0.002 0.000 2.081 484 R HA -0.049 4.291 4.340 -0.001 0.000 0.235 484 R C 1.969 178.238 176.300 -0.051 0.000 1.131 484 R CA 0.979 57.061 56.100 -0.030 0.000 0.960 484 R CB -0.092 30.182 30.300 -0.043 0.000 0.856 484 R HN -0.044 nan 8.270 nan 0.000 0.436 485 V N 0.881 120.771 119.914 -0.041 0.000 2.307 485 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 485 V C 2.473 178.554 176.094 -0.023 0.000 1.045 485 V CA 1.874 64.143 62.300 -0.052 0.000 1.024 485 V CB -0.714 31.098 31.823 -0.018 0.000 0.651 485 V HN 0.555 nan 8.190 nan 0.000 0.449 486 A N -0.166 122.655 122.820 0.001 0.000 1.883 486 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 486 A C 2.485 180.078 177.584 0.015 0.000 1.186 486 A CA 2.427 54.475 52.037 0.019 0.000 0.624 486 A CB -0.799 18.218 19.000 0.028 0.000 0.822 486 A HN 0.519 nan 8.150 nan 0.000 0.444 487 S N -1.182 114.521 115.700 0.005 0.000 2.368 487 S HA -0.225 4.244 4.470 -0.001 0.000 0.225 487 S C 2.054 176.656 174.600 0.004 0.000 1.030 487 S CA 1.274 59.478 58.200 0.007 0.000 0.999 487 S CB -0.984 62.216 63.200 -0.000 0.000 0.844 487 S HN 0.800 nan 8.310 nan 0.000 0.459 488 C N 2.106 121.394 119.300 -0.020 0.000 2.429 488 C HA 0.006 4.465 4.460 -0.001 0.000 0.277 488 C C 2.432 177.418 174.990 -0.007 0.000 1.262 488 C CA 0.547 59.546 59.018 -0.031 0.000 1.733 488 C CB -1.627 26.058 27.740 -0.092 0.000 2.010 488 C HN 0.568 nan 8.230 nan 0.000 0.483 489 L N 0.116 121.341 121.223 0.002 0.000 2.083 489 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 489 L C 3.038 179.918 176.870 0.016 0.000 1.083 489 L CA 1.628 56.483 54.840 0.024 0.000 0.752 489 L CB -0.827 41.266 42.059 0.057 0.000 0.899 489 L HN 0.384 nan 8.230 nan 0.000 0.433 490 R N 0.225 120.743 120.500 0.030 0.000 2.073 490 R HA -0.163 4.176 4.340 -0.001 0.000 0.229 490 R C 2.372 178.731 176.300 0.098 0.000 1.120 490 R CA 1.231 57.361 56.100 0.050 0.000 0.967 490 R CB -0.143 30.191 30.300 0.056 0.000 0.862 490 R HN 0.258 nan 8.270 nan 0.000 0.436 491 K N 1.010 121.465 120.400 0.092 0.000 2.032 491 K HA -0.139 4.181 4.320 -0.001 0.000 0.209 491 K C 1.906 178.642 176.600 0.226 0.000 1.048 491 K CA 1.343 57.715 56.287 0.142 0.000 0.927 491 K CB -0.038 32.510 32.500 0.080 0.000 0.712 491 K HN 0.118 nan 8.250 nan 0.000 0.441 492 L N -0.639 120.637 121.223 0.089 0.000 2.270 492 L HA 0.098 4.438 4.340 -0.001 0.000 0.210 492 L C 0.991 177.717 176.870 -0.239 0.000 1.104 492 L CA 0.608 55.471 54.840 0.039 0.000 0.804 492 L CB 0.060 42.138 42.059 0.032 0.000 0.937 492 L HN 0.641 nan 8.230 nan 0.000 0.450 493 G N 0.623 109.204 108.800 -0.364 0.000 2.255 493 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.239 493 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.239 493 G C -0.207 174.559 174.900 -0.223 0.000 1.083 493 G CA -0.194 44.544 45.100 -0.604 0.000 0.826 493 G HN 0.041 nan 8.290 nan 0.000 0.493 494 V N 0.794 120.671 119.914 -0.062 0.000 2.465 494 V HA 0.436 4.556 4.120 -0.001 0.000 0.279 494 V C -1.136 175.035 176.094 0.129 0.000 1.045 494 V CA -1.580 60.772 62.300 0.088 0.000 0.938 494 V CB 1.485 33.398 31.823 0.152 0.000 0.986 494 V HN 0.215 nan 8.190 nan 0.000 0.467 495 P HA 0.096 nan 4.420 nan 0.000 0.267 495 P C -2.439 174.960 177.300 0.165 0.000 1.201 495 P CA -0.557 62.542 63.100 -0.002 0.000 0.775 495 P CB -0.121 31.385 31.700 -0.323 0.000 0.854 496 P HA 0.021 nan 4.420 nan 0.000 0.276 496 P C 0.736 178.190 177.300 0.256 0.000 1.252 496 P CA -0.412 62.784 63.100 0.160 0.000 0.802 496 P CB 0.660 32.407 31.700 0.078 0.000 1.035 497 L N 2.634 124.025 121.223 0.280 0.000 2.034 497 L HA -0.247 4.093 4.340 -0.001 0.000 0.217 497 L C 2.776 179.824 176.870 0.296 0.000 1.077 497 L CA 2.216 57.254 54.840 0.329 0.000 0.769 497 L CB -1.244 40.946 42.059 0.219 0.000 0.890 497 L HN 0.420 nan 8.230 nan 0.000 0.435 498 R N -1.139 119.467 120.500 0.177 0.000 2.103 498 R HA -0.165 4.174 4.340 -0.001 0.000 0.242 498 R C 1.884 178.246 176.300 0.103 0.000 1.142 498 R CA 2.042 58.218 56.100 0.126 0.000 0.960 498 R CB -1.663 28.671 30.300 0.058 0.000 0.858 498 R HN 0.396 nan 8.270 nan 0.000 0.439 499 V N 0.581 120.507 119.914 0.020 0.000 2.270 499 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 499 V C 2.174 178.236 176.094 -0.053 0.000 1.043 499 V CA 1.958 64.193 62.300 -0.109 0.000 1.014 499 V CB -0.761 30.862 31.823 -0.333 0.000 0.645 499 V HN 0.376 nan 8.190 nan 0.000 0.447 500 W N 0.134 121.541 121.300 0.177 0.000 2.363 500 W HA -0.131 4.528 4.660 -0.001 0.000 0.296 500 W C 2.735 179.439 176.519 0.308 0.000 1.212 500 W CA 1.520 59.013 57.345 0.246 0.000 1.260 500 W CB -0.300 29.325 29.460 0.274 0.000 1.131 500 W HN 0.062 nan 8.180 nan 0.000 0.530 501 R N -0.218 120.585 120.500 0.504 0.000 2.081 501 R HA -0.226 4.114 4.340 -0.001 0.000 0.235 501 R C 2.077 178.454 176.300 0.129 0.000 1.131 501 R CA 2.123 58.421 56.100 0.330 0.000 0.960 501 R CB -0.735 29.748 30.300 0.306 0.000 0.856 501 R HN 0.237 nan 8.270 nan 0.000 0.436 502 H N 0.451 119.550 119.070 0.048 0.000 2.290 502 H HA -0.064 4.492 4.556 -0.001 0.000 0.298 502 H C 2.042 177.340 175.328 -0.050 0.000 1.087 502 H CA 2.355 58.390 56.048 -0.023 0.000 1.291 502 H CB 0.070 29.808 29.762 -0.040 0.000 1.369 502 H HN 0.155 nan 8.280 nan 0.000 0.492 503 R N -0.162 120.328 120.500 -0.018 0.000 2.120 503 R HA -0.039 4.301 4.340 -0.001 0.000 0.234 503 R C 2.557 178.774 176.300 -0.138 0.000 1.123 503 R CA 0.874 56.925 56.100 -0.082 0.000 0.975 503 R CB -0.273 30.039 30.300 0.019 0.000 0.866 503 R HN 0.377 nan 8.270 nan 0.000 0.446 504 A N 1.680 124.445 122.820 -0.091 0.000 1.877 504 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 504 A C 2.104 179.410 177.584 -0.465 0.000 1.186 504 A CA 1.238 53.075 52.037 -0.334 0.000 0.620 504 A CB -0.360 18.432 19.000 -0.345 0.000 0.822 504 A HN 0.227 nan 8.150 nan 0.000 0.443 505 R N -0.556 119.737 120.500 -0.344 0.000 2.083 505 R HA -0.125 4.214 4.340 -0.001 0.000 0.237 505 R C 2.659 178.786 176.300 -0.288 0.000 1.137 505 R CA 1.566 57.485 56.100 -0.302 0.000 0.951 505 R CB -0.626 29.529 30.300 -0.242 0.000 0.851 505 R HN 0.570 nan 8.270 nan 0.000 0.434 506 S N 0.547 116.065 115.700 -0.303 0.000 2.353 506 S HA -0.128 4.341 4.470 -0.001 0.000 0.222 506 S C 2.109 176.575 174.600 -0.224 0.000 1.035 506 S CA 1.537 59.588 58.200 -0.248 0.000 1.025 506 S CB -0.208 62.840 63.200 -0.252 0.000 0.902 506 S HN 0.139 nan 8.310 nan 0.000 0.440 507 V N 2.494 122.235 119.914 -0.289 0.000 2.343 507 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 507 V C 2.734 178.643 176.094 -0.308 0.000 1.051 507 V CA 2.277 64.396 62.300 -0.301 0.000 1.036 507 V CB -0.887 30.658 31.823 -0.463 0.000 0.654 507 V HN 0.530 nan 8.190 nan 0.000 0.451 508 R N 0.489 120.740 120.500 -0.415 0.000 2.080 508 R HA -0.189 4.151 4.340 -0.001 0.000 0.236 508 R C 2.312 178.538 176.300 -0.123 0.000 1.137 508 R CA 1.908 57.869 56.100 -0.233 0.000 0.943 508 R CB -0.567 29.598 30.300 -0.224 0.000 0.846 508 R HN 0.451 nan 8.270 nan 0.000 0.431 509 A N 0.887 123.624 122.820 -0.138 0.000 1.940 509 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 509 A C 2.204 179.750 177.584 -0.063 0.000 1.176 509 A CA 1.641 53.623 52.037 -0.093 0.000 0.631 509 A CB -0.423 18.516 19.000 -0.101 0.000 0.814 509 A HN 0.401 nan 8.150 nan 0.000 0.446 510 R N -0.692 119.767 120.500 -0.068 0.000 2.090 510 R HA 0.078 4.417 4.340 -0.001 0.000 0.228 510 R C 2.020 178.320 176.300 0.001 0.000 1.110 510 R CA 1.209 57.289 56.100 -0.033 0.000 0.973 510 R CB -0.409 29.870 30.300 -0.035 0.000 0.869 510 R HN 0.511 nan 8.270 nan 0.000 0.440 511 L N 0.317 121.546 121.223 0.011 0.000 2.056 511 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 511 L C 2.200 179.093 176.870 0.039 0.000 1.078 511 L CA 1.154 56.029 54.840 0.058 0.000 0.749 511 L CB -0.400 41.715 42.059 0.093 0.000 0.901 511 L HN 0.193 nan 8.230 nan 0.000 0.433 512 L N -0.874 120.356 121.223 0.013 0.000 2.079 512 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 512 L C 2.577 179.452 176.870 0.007 0.000 1.081 512 L CA 1.111 55.955 54.840 0.007 0.000 0.752 512 L CB -0.459 41.591 42.059 -0.015 0.000 0.896 512 L HN 0.182 nan 8.230 nan 0.000 0.433 513 S N -0.943 114.758 115.700 0.001 0.000 2.474 513 S HA -0.124 4.345 4.470 -0.001 0.000 0.235 513 S C 1.848 176.456 174.600 0.013 0.000 0.997 513 S CA 0.714 58.916 58.200 0.002 0.000 0.949 513 S CB -0.085 63.112 63.200 -0.005 0.000 0.766 513 S HN 0.437 nan 8.310 nan 0.000 0.517 514 Q N 0.457 120.273 119.800 0.025 0.000 2.269 514 Q HA 0.184 4.523 4.340 -0.001 0.000 0.201 514 Q C 1.400 177.421 176.000 0.034 0.000 0.946 514 Q CA 0.626 56.450 55.803 0.035 0.000 0.877 514 Q CB -0.319 28.452 28.738 0.055 0.000 0.963 514 Q HN 0.549 nan 8.270 nan 0.000 0.472 515 G N -0.006 108.813 108.800 0.032 0.000 2.796 515 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.226 515 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.226 515 G C 0.418 175.340 174.900 0.037 0.000 1.381 515 G CA -0.082 45.036 45.100 0.029 0.000 0.867 515 G HN 0.677 nan 8.290 nan 0.000 0.552 516 G N -0.621 108.198 108.800 0.032 0.000 2.581 516 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.291 516 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.291 516 G C 1.320 176.243 174.900 0.039 0.000 1.277 516 G CA 1.463 46.583 45.100 0.032 0.000 0.959 516 G HN 1.545 nan 8.290 nan 0.000 0.554 517 R N 0.000 120.525 120.500 0.041 0.000 2.103 517 R HA -0.135 4.204 4.340 -0.001 0.000 0.242 517 R C 3.166 179.510 176.300 0.072 0.000 1.142 517 R CA 2.249 58.376 56.100 0.046 0.000 0.960 517 R CB -0.909 29.424 30.300 0.055 0.000 0.858 517 R HN 0.800 nan 8.270 nan 0.000 0.439 518 A N 1.466 124.340 122.820 0.091 0.000 1.940 518 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 518 A C 2.442 180.084 177.584 0.097 0.000 1.176 518 A CA 1.838 53.948 52.037 0.123 0.000 0.631 518 A CB -0.537 18.532 19.000 0.115 0.000 0.814 518 A HN 0.421 nan 8.150 nan 0.000 0.446 519 A N -1.115 121.746 122.820 0.068 0.000 1.898 519 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 519 A C 2.284 179.906 177.584 0.064 0.000 1.181 519 A CA 2.161 54.231 52.037 0.055 0.000 0.620 519 A CB -1.243 17.782 19.000 0.041 0.000 0.819 519 A HN 0.430 nan 8.150 nan 0.000 0.442 520 T N -0.682 113.911 114.554 0.064 0.000 2.759 520 T HA -0.205 4.144 4.350 -0.001 0.000 0.269 520 T C 1.883 176.621 174.700 0.063 0.000 1.042 520 T CA 1.516 63.666 62.100 0.083 0.000 1.140 520 T CB -0.743 68.110 68.868 -0.025 0.000 0.864 520 T HN 0.561 nan 8.240 nan 0.000 0.455 521 C N 1.299 120.612 119.300 0.021 0.000 2.413 521 C HA -0.004 4.456 4.460 -0.001 0.000 0.277 521 C C 3.156 178.112 174.990 -0.056 0.000 1.228 521 C CA 0.775 59.759 59.018 -0.056 0.000 1.731 521 C CB -1.478 26.260 27.740 -0.004 0.000 2.042 521 C HN 0.735 nan 8.230 nan 0.000 0.468 522 G N -0.379 108.462 108.800 0.069 0.000 2.408 522 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 522 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 522 G C 1.647 176.592 174.900 0.075 0.000 1.150 522 G CA 1.034 46.239 45.100 0.175 0.000 0.776 522 G HN 0.653 nan 8.290 nan 0.000 0.542 523 K N -0.915 119.494 120.400 0.014 0.000 2.025 523 K HA -0.056 4.264 4.320 -0.001 0.000 0.207 523 K C 2.122 178.582 176.600 -0.233 0.000 1.049 523 K CA 1.081 57.317 56.287 -0.084 0.000 0.933 523 K CB -0.207 32.261 32.500 -0.053 0.000 0.714 523 K HN 0.390 nan 8.250 nan 0.000 0.438 524 Y N 0.502 120.604 120.300 -0.330 0.000 2.262 524 Y HA 0.048 4.598 4.550 -0.001 0.000 0.295 524 Y C 1.972 177.517 175.900 -0.591 0.000 1.121 524 Y CA 0.569 58.287 58.100 -0.638 0.000 1.144 524 Y CB -0.103 37.665 38.460 -1.155 0.000 1.043 524 Y HN -0.070 nan 8.280 nan 0.000 0.528 525 L N -1.555 119.450 121.223 -0.363 0.000 2.141 525 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 525 L C 0.678 177.283 176.870 -0.442 0.000 1.094 525 L CA 1.415 55.993 54.840 -0.437 0.000 0.763 525 L CB -0.337 41.191 42.059 -0.885 0.000 0.908 525 L HN 0.177 nan 8.230 nan 0.000 0.437 526 F N -1.728 118.186 119.950 -0.060 0.000 2.735 526 F HA 0.176 4.702 4.527 -0.001 0.000 0.304 526 F C 1.660 177.153 175.800 -0.511 0.000 1.119 526 F CA -0.349 57.440 58.000 -0.352 0.000 1.280 526 F CB -0.699 38.086 39.000 -0.359 0.000 0.994 526 F HN 0.030 nan 8.300 nan 0.000 0.520 527 N N 1.019 119.650 118.700 -0.115 0.000 2.453 527 N HA -0.152 4.587 4.740 -0.001 0.000 0.183 527 N C 1.673 177.151 175.510 -0.053 0.000 1.041 527 N CA 1.189 54.179 53.050 -0.101 0.000 0.900 527 N CB 0.003 38.447 38.487 -0.072 0.000 0.961 527 N HN 0.587 nan 8.380 nan 0.000 0.443 528 W N -0.048 121.305 121.300 0.088 0.000 2.595 528 W HA 0.195 4.855 4.660 -0.000 0.000 0.257 528 W C 1.413 177.994 176.519 0.103 0.000 1.267 528 W CA 0.428 57.831 57.345 0.097 0.000 1.300 528 W CB -0.676 28.856 29.460 0.121 0.000 1.120 528 W HN -0.030 nan 8.180 nan 0.000 0.618 529 A N 1.883 124.304 122.820 -0.666 0.000 1.935 529 A HA 0.110 4.429 4.320 -0.001 0.000 0.214 529 A C 1.357 178.811 177.584 -0.216 0.000 1.178 529 A CA 1.145 52.842 52.037 -0.567 0.000 0.640 529 A CB -1.070 17.396 19.000 -0.889 0.000 0.825 529 A HN 0.093 nan 8.150 nan 0.000 0.447 530 V N -1.845 117.959 119.914 -0.185 0.000 2.811 530 V HA 0.220 4.340 4.120 -0.001 0.000 0.302 530 V C 0.854 176.919 176.094 -0.049 0.000 1.063 530 V CA -0.211 62.026 62.300 -0.106 0.000 1.088 530 V CB 0.748 32.509 31.823 -0.104 0.000 0.982 530 V HN 0.445 nan 8.190 nan 0.000 0.485 531 K N 1.468 121.846 120.400 -0.036 0.000 2.057 531 K HA 0.012 4.332 4.320 -0.001 0.000 0.206 531 K C 0.681 177.267 176.600 -0.023 0.000 1.050 531 K CA 1.471 57.748 56.287 -0.018 0.000 0.935 531 K CB -0.179 32.313 32.500 -0.014 0.000 0.715 531 K HN 0.802 nan 8.250 nan 0.000 0.439 532 T N 3.109 117.644 114.554 -0.032 0.000 2.910 532 T HA 0.161 4.510 4.350 -0.001 0.000 0.323 532 T C -0.445 174.231 174.700 -0.041 0.000 1.091 532 T CA -0.704 61.377 62.100 -0.033 0.000 0.960 532 T CB 0.676 69.524 68.868 -0.033 0.000 1.024 532 T HN -0.038 nan 8.240 nan 0.000 0.509 533 K N 2.524 122.903 120.400 -0.035 0.000 2.494 533 K HA 0.183 4.503 4.320 -0.001 0.000 0.273 533 K C 0.544 177.111 176.600 -0.055 0.000 0.970 533 K CA -0.354 55.909 56.287 -0.039 0.000 0.963 533 K CB 0.594 33.082 32.500 -0.020 0.000 0.913 533 K HN 0.333 nan 8.250 nan 0.000 0.502 534 L N 2.048 123.222 121.223 -0.081 0.000 2.642 534 L HA 0.129 4.469 4.340 -0.001 0.000 0.229 534 L C 2.094 178.906 176.870 -0.096 0.000 1.179 534 L CA 0.086 54.863 54.840 -0.105 0.000 0.834 534 L CB 0.347 42.305 42.059 -0.169 0.000 1.515 534 L HN 0.688 nan 8.230 nan 0.000 0.512 535 K N 0.312 120.648 120.400 -0.107 0.000 1.984 535 K HA -0.030 4.290 4.320 -0.001 0.000 0.209 535 K C 0.116 176.666 176.600 -0.084 0.000 1.046 535 K CA 0.435 56.677 56.287 -0.074 0.000 0.934 535 K CB -0.113 32.353 32.500 -0.056 0.000 0.717 535 K HN 0.383 nan 8.250 nan 0.000 0.438 536 L N 2.883 123.995 121.223 -0.185 0.000 3.272 536 L HA -0.152 4.188 4.340 -0.001 0.000 0.701 536 L C -0.441 176.455 176.870 0.044 0.000 1.155 536 L CA 0.328 55.061 54.840 -0.178 0.000 1.249 536 L CB -1.680 40.342 42.059 -0.061 0.000 1.796 536 L HN 0.773 nan 8.230 nan 0.000 0.896 537 T N -0.879 113.748 114.554 0.121 0.000 2.942 537 T HA 0.818 5.167 4.350 -0.001 0.000 0.289 537 T C -2.346 172.507 174.700 0.256 0.000 1.044 537 T CA -2.058 60.138 62.100 0.160 0.000 1.023 537 T CB 2.431 71.361 68.868 0.103 0.000 1.123 537 T HN 0.071 nan 8.240 nan 0.000 0.512 538 P HA 0.244 nan 4.420 nan 0.000 0.271 538 P C -0.706 176.642 177.300 0.079 0.000 1.233 538 P CA -0.177 62.994 63.100 0.118 0.000 0.795 538 P CB 0.291 32.032 31.700 0.069 0.000 0.936 539 I N 1.943 122.510 120.570 -0.004 0.000 2.406 539 I HA 0.213 4.383 4.170 -0.001 0.000 0.290 539 I C -1.477 174.614 176.117 -0.042 0.000 0.999 539 I CA -2.320 58.937 61.300 -0.071 0.000 1.124 539 I CB 1.907 39.782 38.000 -0.208 0.000 1.289 539 I HN 0.297 nan 8.210 nan 0.000 0.441 540 P HA -0.234 nan 4.420 nan 0.000 0.203 540 P C 1.130 178.413 177.300 -0.029 0.000 1.087 540 P CA 1.239 64.328 63.100 -0.019 0.000 0.952 540 P CB 0.170 31.862 31.700 -0.012 0.000 0.758 541 A N -0.870 121.931 122.820 -0.033 0.000 2.276 541 A HA 0.091 4.411 4.320 -0.001 0.000 0.205 541 A C 1.995 179.550 177.584 -0.048 0.000 1.234 541 A CA 1.165 53.181 52.037 -0.035 0.000 0.797 541 A CB -1.518 17.465 19.000 -0.028 0.000 0.769 541 A HN 0.239 nan 8.150 nan 0.000 0.491 542 A N 0.249 123.035 122.820 -0.056 0.000 2.070 542 A HA -0.050 4.270 4.320 -0.001 0.000 0.220 542 A C 2.315 179.856 177.584 -0.073 0.000 1.159 542 A CA 1.813 53.809 52.037 -0.067 0.000 0.656 542 A CB -0.536 18.427 19.000 -0.062 0.000 0.800 542 A HN 1.008 nan 8.150 nan 0.000 0.453 543 S N -1.417 114.247 115.700 -0.059 0.000 2.548 543 S HA 0.016 4.486 4.470 -0.001 0.000 0.215 543 S C 1.633 176.195 174.600 -0.063 0.000 0.976 543 S CA 0.547 58.710 58.200 -0.062 0.000 0.908 543 S CB -0.140 63.034 63.200 -0.043 0.000 0.781 543 S HN 0.636 nan 8.310 nan 0.000 0.519 544 Q N 0.664 120.430 119.800 -0.057 0.000 2.119 544 Q HA 0.153 4.493 4.340 -0.001 0.000 0.201 544 Q C 0.191 176.153 176.000 -0.064 0.000 0.972 544 Q CA 0.598 56.372 55.803 -0.049 0.000 0.847 544 Q CB -0.344 28.372 28.738 -0.037 0.000 0.903 544 Q HN 0.572 nan 8.270 nan 0.000 0.433 545 L N 1.538 122.708 121.223 -0.089 0.000 2.485 545 L HA -0.027 4.313 4.340 -0.001 0.000 0.275 545 L C 0.078 176.858 176.870 -0.150 0.000 1.207 545 L CA -0.125 54.642 54.840 -0.122 0.000 0.855 545 L CB 0.200 42.152 42.059 -0.178 0.000 1.114 545 L HN 0.024 nan 8.230 nan 0.000 0.485 546 D N 3.086 123.403 120.400 -0.139 0.000 2.518 546 D HA 0.237 4.877 4.640 -0.001 0.000 0.230 546 D C -0.387 175.784 176.300 -0.216 0.000 1.138 546 D CA -0.434 53.487 54.000 -0.132 0.000 0.964 546 D CB 0.461 41.224 40.800 -0.061 0.000 1.011 546 D HN 0.142 nan 8.370 nan 0.000 0.517 547 L N 2.961 123.965 121.223 -0.366 0.000 2.727 547 L HA 0.174 4.513 4.340 -0.001 0.000 0.237 547 L C 1.701 178.429 176.870 -0.236 0.000 1.370 547 L CA 0.117 54.579 54.840 -0.630 0.000 1.248 547 L CB -0.938 40.662 42.059 -0.764 0.000 1.556 547 L HN 0.370 nan 8.230 nan 0.000 0.420 548 S N -1.015 114.642 115.700 -0.072 0.000 2.294 548 S HA 0.031 4.500 4.470 -0.001 0.000 0.203 548 S C 1.686 176.335 174.600 0.081 0.000 1.022 548 S CA 0.489 58.693 58.200 0.007 0.000 0.955 548 S CB -0.797 62.400 63.200 -0.004 0.000 0.943 548 S HN 0.396 nan 8.310 nan 0.000 0.472 549 G N -0.667 108.181 108.800 0.081 0.000 3.234 549 G HA2 0.118 4.077 3.960 -0.001 0.000 0.221 549 G HA3 0.118 4.077 3.960 -0.001 0.000 0.221 549 G C 0.508 175.538 174.900 0.217 0.000 1.229 549 G CA -0.375 44.767 45.100 0.069 0.000 0.909 549 G HN 0.486 nan 8.290 nan 0.000 0.510 550 W N 0.209 121.417 121.300 -0.154 0.000 2.381 550 W HA 0.239 4.898 4.660 -0.001 0.000 0.301 550 W C 0.323 176.424 176.519 -0.695 0.000 1.205 550 W CA 0.508 57.529 57.345 -0.540 0.000 1.285 550 W CB -0.055 28.875 29.460 -0.884 0.000 1.133 550 W HN 0.126 nan 8.180 nan 0.000 0.521 551 F N -0.739 119.393 119.950 0.303 0.000 2.622 551 F HA 0.314 4.841 4.527 -0.001 0.000 0.338 551 F C 0.378 176.320 175.800 0.237 0.000 1.334 551 F CA -0.717 57.456 58.000 0.290 0.000 1.179 551 F CB -0.037 39.098 39.000 0.225 0.000 1.471 551 F HN -0.400 nan 8.300 nan 0.000 0.576 552 V N 0.012 120.146 119.914 0.367 0.000 2.996 552 V HA 0.669 4.789 4.120 -0.001 0.000 0.235 552 V C 0.808 177.041 176.094 0.232 0.000 1.205 552 V CA 0.639 63.089 62.300 0.250 0.000 1.225 552 V CB 0.605 32.554 31.823 0.209 0.000 0.995 552 V HN 0.455 nan 8.190 nan 0.000 0.484 553 A N -0.648 122.258 122.820 0.142 0.000 2.602 553 A HA 0.774 5.094 4.320 -0.001 0.000 0.290 553 A C -0.304 176.869 177.584 -0.686 0.000 1.114 553 A CA 0.083 52.058 52.037 -0.103 0.000 0.683 553 A CB 0.950 19.808 19.000 -0.235 0.000 1.281 553 A HN 0.418 nan 8.150 nan 0.000 0.416 554 G N -1.239 106.870 108.800 -1.152 0.000 2.356 554 G HA2 0.529 4.489 3.960 -0.001 0.000 0.298 554 G HA3 0.529 4.489 3.960 -0.001 0.000 0.298 554 G C -0.842 173.361 174.900 -1.161 0.000 1.145 554 G CA -0.028 43.979 45.100 -1.821 0.000 0.850 554 G HN 0.566 nan 8.290 nan 0.000 0.487 555 Y N 0.982 121.061 120.300 -0.367 0.000 2.738 555 Y HA 0.291 4.841 4.550 -0.001 0.000 0.249 555 Y C 1.459 177.282 175.900 -0.128 0.000 1.153 555 Y CA -0.941 57.051 58.100 -0.180 0.000 1.165 555 Y CB 0.460 38.846 38.460 -0.123 0.000 1.235 555 Y HN 0.503 nan 8.280 nan 0.000 0.559 556 S N 0.956 116.621 115.700 -0.058 0.000 2.737 556 S HA 0.269 4.738 4.470 -0.001 0.000 0.315 556 S C 1.488 176.111 174.600 0.038 0.000 1.236 556 S CA 1.464 59.666 58.200 0.004 0.000 1.093 556 S CB -0.268 62.938 63.200 0.010 0.000 0.832 556 S HN 1.040 nan 8.310 nan 0.000 0.507 557 G N 3.676 112.501 108.800 0.042 0.000 2.184 557 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.264 557 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.264 557 G C 0.849 175.785 174.900 0.059 0.000 0.975 557 G CA 0.373 45.503 45.100 0.050 0.000 0.642 557 G HN 1.379 nan 8.290 nan 0.000 0.536 558 G N 0.042 108.883 108.800 0.069 0.000 2.920 558 G HA2 0.350 4.309 3.960 -0.001 0.000 0.208 558 G HA3 0.350 4.309 3.960 -0.001 0.000 0.208 558 G C 0.513 175.437 174.900 0.039 0.000 1.159 558 G CA 1.127 46.281 45.100 0.091 0.000 0.784 558 G HN 1.288 nan 8.290 nan 0.000 0.535 559 D N -0.471 119.925 120.400 -0.007 0.000 2.697 559 D HA -0.173 4.467 4.640 -0.001 0.000 0.235 559 D C -0.058 176.191 176.300 -0.085 0.000 1.167 559 D CA 0.350 54.321 54.000 -0.048 0.000 0.656 559 D CB -1.038 39.744 40.800 -0.029 0.000 1.025 559 D HN 0.079 nan 8.370 nan 0.000 0.419 560 I N 1.342 121.823 120.570 -0.148 0.000 2.493 560 I HA 0.441 4.610 4.170 -0.001 0.000 0.298 560 I C -0.144 175.751 176.117 -0.371 0.000 0.998 560 I CA -0.752 60.358 61.300 -0.316 0.000 1.137 560 I CB 1.385 39.054 38.000 -0.552 0.000 1.310 560 I HN 0.160 nan 8.210 nan 0.000 0.445 561 Y N 5.335 125.295 120.300 -0.566 0.000 2.421 561 Y HA 0.457 5.007 4.550 -0.001 0.000 0.339 561 Y C -1.149 174.424 175.900 -0.545 0.000 0.996 561 Y CA -0.637 57.141 58.100 -0.537 0.000 1.046 561 Y CB 1.457 39.735 38.460 -0.303 0.000 1.226 561 Y HN 0.576 nan 8.280 nan 0.000 0.445 562 H N 3.363 121.717 119.070 -1.193 0.000 2.708 562 H HA 0.400 4.955 4.556 -0.001 0.000 0.320 562 H C -0.587 174.180 175.328 -0.935 0.000 0.991 562 H CA -0.991 54.521 56.048 -0.895 0.000 1.243 562 H CB 1.231 30.491 29.762 -0.835 0.000 1.446 562 H HN 0.651 nan 8.280 nan 0.000 0.502 563 S N 3.628 119.044 115.700 -0.474 0.000 2.528 563 S HA 0.190 4.659 4.470 -0.001 0.000 0.277 563 S C -0.009 174.557 174.600 -0.056 0.000 1.297 563 S CA -0.853 57.208 58.200 -0.231 0.000 1.052 563 S CB 1.061 64.276 63.200 0.025 0.000 0.917 563 S HN 0.371 nan 8.310 nan 0.000 0.492 564 L N 2.729 123.965 121.223 0.022 0.000 2.418 564 L HA 0.701 5.040 4.340 -0.001 0.000 0.265 564 L C 0.051 176.957 176.870 0.060 0.000 1.143 564 L CA 0.594 55.492 54.840 0.098 0.000 0.809 564 L CB 1.682 43.838 42.059 0.163 0.000 1.124 564 L HN 0.947 nan 8.230 nan 0.000 0.456 565 S N 3.333 119.061 115.700 0.046 0.000 2.561 565 S HA 0.434 4.904 4.470 -0.001 0.000 0.292 565 S C -0.461 174.144 174.600 0.008 0.000 1.107 565 S CA -0.865 57.350 58.200 0.026 0.000 0.969 565 S CB 0.539 63.750 63.200 0.019 0.000 1.150 565 S HN 0.736 nan 8.310 nan 0.000 0.451 566 R N 0.000 120.502 120.500 0.003 0.000 2.786 566 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 566 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 566 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535