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 3o5b_1_B DATA FIRST_RESID 8 DATA SEQUENCE KPPARKGSMA DVPANLMEQI HGLETLFTVS SEKMRSIVKH FISELDKGLS DATA SEQUENCE KKGGNIPMIP GWVVEYPTGK ETGDFLALDL GGTNLRVVLV KLGGNHDFDT DATA SEQUENCE TQNKYRLPDH LRTGTSEQLW SFIAKCLKEF VDEWYPDGVS EPLPLGFTFS DATA SEQUENCE YPASQKKINS GVLQRWTKGF DIEGVEGHDV VPMLQEQIEK LNIPINVVAL DATA SEQUENCE INDTTGTLVA SLYTDPQTKM GIIIGTGVNG AYYDVVSGIE KLEGLLPEDI DATA SEQUENCE GPDSPMAINC EYGSFDNEHL VLPRTKYDVI IDEESPRPGQ QAFEKMTSGY DATA SEQUENCE YLGEIMRLVL LDLYDSGFIF KDQDISKLKE AYVMDTSYPS KIEDDPFENL DATA SEQUENCE EDTDDLFKTN LNIETTVVER KLIRKLAELV GTRAARLTVC GVSAICDKRG DATA SEQUENCE YKTAHIAADG SVFNRYPGYK EKAAQALKDI YNWDVEKMED HPIQLVAAED DATA SEQUENCE GSGVGAAIIA CLTQKRLAAG KSVGIKGE 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.563 176.600 -0.062 0.000 0.988 8 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 8 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 9 P HA 0.377 nan 4.420 nan 0.000 0.274 9 P C -2.539 174.709 177.300 -0.086 0.000 1.246 9 P CA -0.838 62.208 63.100 -0.090 0.000 0.795 9 P CB -0.203 31.414 31.700 -0.139 0.000 1.006 10 P HA 0.274 nan 4.420 nan 0.000 0.275 10 P C -0.939 176.318 177.300 -0.073 0.000 1.266 10 P CA -0.547 62.518 63.100 -0.058 0.000 0.793 10 P CB 0.168 31.843 31.700 -0.041 0.000 1.074 11 A N 0.968 123.755 122.820 -0.055 0.000 2.462 11 A HA 0.247 4.566 4.320 -0.000 0.000 0.243 11 A C 0.677 178.228 177.584 -0.054 0.000 1.076 11 A CA -0.389 51.614 52.037 -0.056 0.000 0.773 11 A CB -0.272 18.707 19.000 -0.034 0.000 1.010 11 A HN 0.621 nan 8.150 nan 0.000 0.493 12 R N 2.083 122.545 120.500 -0.063 0.000 2.784 12 R HA 0.138 4.478 4.340 -0.000 0.000 0.266 12 R C 0.121 176.409 176.300 -0.020 0.000 1.044 12 R CA -0.372 55.702 56.100 -0.044 0.000 1.151 12 R CB 0.437 30.712 30.300 -0.042 0.000 1.037 12 R HN 0.577 nan 8.270 nan 0.000 0.478 13 K N 1.186 121.581 120.400 -0.008 0.000 2.057 13 K HA -0.058 4.261 4.320 -0.000 0.000 0.206 13 K C 1.078 177.679 176.600 0.002 0.000 1.050 13 K CA 1.460 57.747 56.287 -0.000 0.000 0.935 13 K CB -0.700 31.803 32.500 0.006 0.000 0.715 13 K HN 1.039 nan 8.250 nan 0.000 0.439 14 G N 2.201 111.002 108.800 0.003 0.000 2.256 14 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.272 14 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.272 14 G C 0.089 174.990 174.900 0.002 0.000 1.076 14 G CA 0.607 45.708 45.100 0.002 0.000 0.882 14 G HN 0.341 nan 8.290 nan 0.000 0.497 15 S N -0.623 115.080 115.700 0.005 0.000 2.552 15 S HA 0.409 4.879 4.470 -0.000 0.000 0.289 15 S C 1.647 176.247 174.600 -0.001 0.000 1.304 15 S CA 0.225 58.428 58.200 0.005 0.000 1.063 15 S CB 0.195 63.400 63.200 0.008 0.000 0.848 15 S HN 0.294 nan 8.310 nan 0.000 0.499 16 M N 4.432 124.031 119.600 -0.002 0.000 2.383 16 M HA 0.219 4.698 4.480 -0.000 0.000 0.247 16 M C 1.936 178.233 176.300 -0.005 0.000 1.117 16 M CA 0.194 55.486 55.300 -0.012 0.000 0.995 16 M CB -1.497 31.090 32.600 -0.022 0.000 1.480 16 M HN 0.798 nan 8.290 nan 0.000 0.485 17 A N 1.643 124.465 122.820 0.003 0.000 1.986 17 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 17 A C 1.639 179.225 177.584 0.004 0.000 1.171 17 A CA 2.213 54.254 52.037 0.007 0.000 0.640 17 A CB -0.627 18.378 19.000 0.009 0.000 0.811 17 A HN 0.583 nan 8.150 nan 0.000 0.451 18 D N -0.850 119.550 120.400 0.000 0.000 2.339 18 D HA 0.099 4.739 4.640 -0.000 0.000 0.217 18 D C 0.144 176.442 176.300 -0.005 0.000 1.050 18 D CA -0.010 53.990 54.000 -0.000 0.000 0.856 18 D CB -0.598 40.203 40.800 0.001 0.000 0.922 18 D HN 0.137 nan 8.370 nan 0.000 0.518 19 V N 2.244 122.151 119.914 -0.013 0.000 2.455 19 V HA 0.211 4.331 4.120 -0.000 0.000 0.273 19 V C -1.871 174.214 176.094 -0.016 0.000 1.045 19 V CA -1.244 61.042 62.300 -0.023 0.000 0.976 19 V CB 0.831 32.626 31.823 -0.047 0.000 0.993 19 V HN 0.008 nan 8.190 nan 0.000 0.475 20 P HA 0.127 nan 4.420 nan 0.000 0.269 20 P C 0.753 178.054 177.300 0.001 0.000 1.215 20 P CA 0.028 63.130 63.100 0.003 0.000 0.780 20 P CB 0.684 32.392 31.700 0.013 0.000 0.898 21 A N 3.091 125.919 122.820 0.014 0.000 1.917 21 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 21 A C 1.955 179.548 177.584 0.015 0.000 1.182 21 A CA 2.167 54.216 52.037 0.020 0.000 0.633 21 A CB -1.404 17.613 19.000 0.028 0.000 0.819 21 A HN 0.778 nan 8.150 nan 0.000 0.448 22 N N 0.435 119.155 118.700 0.032 0.000 2.120 22 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 22 N C 1.717 177.205 175.510 -0.037 0.000 1.024 22 N CA 1.833 54.917 53.050 0.058 0.000 0.852 22 N CB -0.612 37.968 38.487 0.154 0.000 1.003 22 N HN 0.519 nan 8.380 nan 0.000 0.424 23 L N -0.551 120.647 121.223 -0.043 0.000 2.072 23 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 23 L C 2.602 179.370 176.870 -0.170 0.000 1.079 23 L CA 0.713 55.476 54.840 -0.127 0.000 0.752 23 L CB -0.317 41.695 42.059 -0.078 0.000 0.906 23 L HN 0.104 nan 8.230 nan 0.000 0.436 24 M N 0.325 119.847 119.600 -0.130 0.000 2.080 24 M HA -0.264 4.216 4.480 -0.000 0.000 0.260 24 M C 2.161 178.343 176.300 -0.196 0.000 1.068 24 M CA 1.858 57.041 55.300 -0.195 0.000 1.109 24 M CB -0.778 31.774 32.600 -0.080 0.000 1.342 24 M HN 0.202 nan 8.290 nan 0.000 0.405 25 E N -0.458 119.711 120.200 -0.052 0.000 2.097 25 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 25 E C 1.892 178.438 176.600 -0.090 0.000 1.000 25 E CA 1.759 58.160 56.400 0.001 0.000 0.804 25 E CB -0.078 29.614 29.700 -0.014 0.000 0.740 25 E HN 0.477 nan 8.360 nan 0.000 0.454 26 Q N 0.035 119.694 119.800 -0.234 0.000 2.079 26 Q HA -0.084 4.255 4.340 -0.000 0.000 0.200 26 Q C 2.513 178.405 176.000 -0.180 0.000 0.974 26 Q CA 1.288 56.917 55.803 -0.291 0.000 0.840 26 Q CB -0.269 28.145 28.738 -0.540 0.000 0.898 26 Q HN 0.462 nan 8.270 nan 0.000 0.430 27 I N 0.654 121.096 120.570 -0.213 0.000 2.127 27 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 27 I C 2.299 178.335 176.117 -0.135 0.000 1.075 27 I CA 1.282 62.463 61.300 -0.199 0.000 1.334 27 I CB -0.411 37.418 38.000 -0.285 0.000 1.040 27 I HN 0.260 nan 8.210 nan 0.000 0.405 28 H N 0.334 119.383 119.070 -0.035 0.000 2.421 28 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 28 H C 2.318 177.641 175.328 -0.008 0.000 1.087 28 H CA 1.421 57.460 56.048 -0.016 0.000 1.330 28 H CB -0.765 28.984 29.762 -0.022 0.000 1.388 28 H HN 0.415 nan 8.280 nan 0.000 0.526 29 G N 0.817 109.662 108.800 0.075 0.000 2.402 29 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 29 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 29 G C 1.943 176.885 174.900 0.070 0.000 1.162 29 G CA 0.473 45.599 45.100 0.042 0.000 0.777 29 G HN 0.287 nan 8.290 nan 0.000 0.539 30 L N 0.009 121.285 121.223 0.089 0.000 2.079 30 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 30 L C 2.832 179.854 176.870 0.254 0.000 1.081 30 L CA 1.276 56.243 54.840 0.212 0.000 0.752 30 L CB -0.421 41.734 42.059 0.159 0.000 0.896 30 L HN 0.282 nan 8.230 nan 0.000 0.433 31 E N -0.450 119.844 120.200 0.156 0.000 2.038 31 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 31 E C 2.146 178.820 176.600 0.124 0.000 1.000 31 E CA 1.919 58.407 56.400 0.148 0.000 0.803 31 E CB -0.063 29.719 29.700 0.136 0.000 0.750 31 E HN 0.362 nan 8.360 nan 0.000 0.448 32 T N 1.092 115.697 114.554 0.086 0.000 2.684 32 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 32 T C 1.654 176.354 174.700 -0.000 0.000 1.036 32 T CA 0.849 62.971 62.100 0.037 0.000 1.148 32 T CB -0.192 68.689 68.868 0.022 0.000 0.863 32 T HN -0.010 nan 8.240 nan 0.000 0.436 33 L N -0.209 120.999 121.223 -0.026 0.000 2.046 33 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 33 L C 1.595 178.296 176.870 -0.281 0.000 1.077 33 L CA 1.724 56.444 54.840 -0.201 0.000 0.747 33 L CB -0.803 41.068 42.059 -0.312 0.000 0.896 33 L HN 0.285 nan 8.230 nan 0.000 0.432 34 F N -1.765 118.213 119.950 0.048 0.000 2.704 34 F HA 0.169 4.696 4.527 -0.000 0.000 0.304 34 F C 1.098 176.920 175.800 0.037 0.000 1.094 34 F CA -0.303 57.725 58.000 0.046 0.000 1.275 34 F CB -0.292 38.735 39.000 0.045 0.000 1.073 34 F HN -0.214 nan 8.300 nan 0.000 0.586 35 T N 1.719 116.370 114.554 0.162 0.000 2.884 35 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 35 T C -0.062 174.680 174.700 0.070 0.000 0.998 35 T CA -0.059 62.106 62.100 0.108 0.000 1.124 35 T CB 1.490 70.404 68.868 0.077 0.000 0.931 35 T HN -0.303 nan 8.240 nan 0.000 0.531 36 V N 4.091 124.045 119.914 0.067 0.000 2.334 36 V HA 0.383 4.502 4.120 -0.000 0.000 0.281 36 V C 0.601 176.712 176.094 0.029 0.000 1.016 36 V CA -0.889 61.440 62.300 0.048 0.000 0.832 36 V CB 1.282 33.145 31.823 0.066 0.000 0.999 36 V HN 1.071 nan 8.190 nan 0.000 0.439 37 S N 3.895 119.604 115.700 0.013 0.000 2.614 37 S HA 0.209 4.678 4.470 -0.000 0.000 0.265 37 S C 1.410 176.003 174.600 -0.013 0.000 1.303 37 S CA 0.250 58.450 58.200 -0.000 0.000 1.000 37 S CB 1.403 64.598 63.200 -0.008 0.000 0.935 37 S HN 0.612 nan 8.310 nan 0.000 0.551 38 S N 1.498 117.181 115.700 -0.029 0.000 2.369 38 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 38 S C 1.925 176.489 174.600 -0.060 0.000 1.043 38 S CA 1.579 59.745 58.200 -0.057 0.000 1.074 38 S CB -0.747 62.410 63.200 -0.071 0.000 0.962 38 S HN 0.802 nan 8.310 nan 0.000 0.433 39 E N 0.884 121.055 120.200 -0.049 0.000 2.070 39 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 39 E C 2.120 178.700 176.600 -0.033 0.000 1.004 39 E CA 1.325 57.697 56.400 -0.045 0.000 0.805 39 E CB -0.317 29.361 29.700 -0.036 0.000 0.744 39 E HN 0.376 nan 8.360 nan 0.000 0.451 40 K N 0.560 120.948 120.400 -0.020 0.000 2.057 40 K HA -0.064 4.255 4.320 -0.000 0.000 0.207 40 K C 2.189 178.794 176.600 0.008 0.000 1.049 40 K CA 1.213 57.496 56.287 -0.005 0.000 0.931 40 K CB -0.239 32.262 32.500 0.001 0.000 0.714 40 K HN 0.028 nan 8.250 nan 0.000 0.440 41 M N 0.032 119.632 119.600 0.001 0.000 2.108 41 M HA -0.186 4.293 4.480 -0.000 0.000 0.261 41 M C 2.217 178.506 176.300 -0.019 0.000 1.066 41 M CA 1.790 57.093 55.300 0.006 0.000 1.107 41 M CB -0.214 32.374 32.600 -0.019 0.000 1.356 41 M HN 0.111 nan 8.290 nan 0.000 0.406 42 R N -0.163 120.303 120.500 -0.057 0.000 2.073 42 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 42 R C 2.518 178.803 176.300 -0.025 0.000 1.134 42 R CA 1.950 58.006 56.100 -0.074 0.000 0.952 42 R CB -0.713 29.524 30.300 -0.104 0.000 0.850 42 R HN 0.487 nan 8.270 nan 0.000 0.433 43 S N 0.906 116.601 115.700 -0.008 0.000 2.383 43 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 43 S C 2.024 176.664 174.600 0.066 0.000 1.030 43 S CA 1.198 59.407 58.200 0.016 0.000 1.002 43 S CB -0.415 62.785 63.200 -0.001 0.000 0.829 43 S HN 0.263 nan 8.310 nan 0.000 0.467 44 I N 1.035 121.654 120.570 0.082 0.000 2.202 44 I HA -0.097 4.073 4.170 -0.000 0.000 0.242 44 I C 2.508 178.734 176.117 0.181 0.000 1.091 44 I CA 1.052 62.454 61.300 0.169 0.000 1.368 44 I CB -0.487 37.622 38.000 0.182 0.000 1.058 44 I HN 0.225 nan 8.210 nan 0.000 0.410 45 V N 1.532 121.494 119.914 0.079 0.000 2.392 45 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 45 V C 2.411 178.522 176.094 0.029 0.000 1.059 45 V CA 1.811 64.121 62.300 0.016 0.000 1.051 45 V CB -0.802 30.973 31.823 -0.080 0.000 0.658 45 V HN 0.449 nan 8.190 nan 0.000 0.455 46 K N -0.346 120.082 120.400 0.047 0.000 2.001 46 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 46 K C 2.224 178.889 176.600 0.108 0.000 1.048 46 K CA 1.963 58.280 56.287 0.050 0.000 0.932 46 K CB -0.489 32.036 32.500 0.043 0.000 0.715 46 K HN 0.494 nan 8.250 nan 0.000 0.437 47 H N 0.352 119.467 119.070 0.075 0.000 2.387 47 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 47 H C 1.750 177.182 175.328 0.173 0.000 1.090 47 H CA 1.507 57.628 56.048 0.122 0.000 1.332 47 H CB -0.217 29.628 29.762 0.138 0.000 1.386 47 H HN 0.226 nan 8.280 nan 0.000 0.516 48 F N -0.077 119.830 119.950 -0.073 0.000 2.102 48 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 48 F C 2.139 177.717 175.800 -0.371 0.000 1.105 48 F CA 1.037 58.708 58.000 -0.547 0.000 1.239 48 F CB -0.039 38.458 39.000 -0.838 0.000 0.991 48 F HN 0.146 nan 8.300 nan 0.000 0.474 49 I N -0.682 119.888 120.570 -0.001 0.000 2.163 49 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 49 I C 2.686 178.781 176.117 -0.037 0.000 1.085 49 I CA 1.527 62.791 61.300 -0.061 0.000 1.347 49 I CB -0.761 37.197 38.000 -0.071 0.000 1.044 49 I HN 0.157 nan 8.210 nan 0.000 0.408 50 S N 0.506 116.181 115.700 -0.042 0.000 2.374 50 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 50 S C 1.969 176.522 174.600 -0.079 0.000 1.037 50 S CA 1.634 59.796 58.200 -0.064 0.000 1.024 50 S CB -0.207 62.941 63.200 -0.086 0.000 0.861 50 S HN 0.369 nan 8.310 nan 0.000 0.456 51 E N 0.715 120.857 120.200 -0.096 0.000 2.216 51 E HA 0.083 4.432 4.350 -0.000 0.000 0.192 51 E C 2.089 178.712 176.600 0.038 0.000 0.988 51 E CA 0.504 56.879 56.400 -0.042 0.000 0.834 51 E CB -0.321 29.384 29.700 0.009 0.000 0.772 51 E HN 0.557 nan 8.360 nan 0.000 0.479 52 L N 0.959 122.216 121.223 0.057 0.000 2.044 52 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 52 L C 2.068 178.965 176.870 0.045 0.000 1.075 52 L CA 1.003 55.886 54.840 0.072 0.000 0.747 52 L CB -0.312 41.761 42.059 0.023 0.000 0.903 52 L HN -0.054 nan 8.230 nan 0.000 0.435 53 D N 0.407 120.816 120.400 0.014 0.000 2.104 53 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 53 D C 2.091 178.397 176.300 0.010 0.000 0.994 53 D CA 1.280 55.286 54.000 0.010 0.000 0.830 53 D CB -0.059 40.737 40.800 -0.005 0.000 0.959 53 D HN 0.193 nan 8.370 nan 0.000 0.452 54 K N 0.371 120.772 120.400 0.002 0.000 2.059 54 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 54 K C 2.086 178.694 176.600 0.014 0.000 1.050 54 K CA 1.797 58.085 56.287 0.002 0.000 0.927 54 K CB -0.408 32.086 32.500 -0.011 0.000 0.714 54 K HN 0.140 nan 8.250 nan 0.000 0.447 55 G N 0.432 109.249 108.800 0.029 0.000 2.471 55 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 55 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 55 G C 1.297 176.210 174.900 0.022 0.000 1.125 55 G CA 0.532 45.653 45.100 0.035 0.000 0.775 55 G HN 0.247 nan 8.290 nan 0.000 0.548 56 L N 1.374 122.609 121.223 0.020 0.000 2.509 56 L HA 0.152 4.492 4.340 -0.000 0.000 0.222 56 L C 1.830 178.700 176.870 -0.001 0.000 1.123 56 L CA 0.037 54.879 54.840 0.003 0.000 0.856 56 L CB -0.173 41.892 42.059 0.009 0.000 0.985 56 L HN 0.259 nan 8.230 nan 0.000 0.456 57 S N -0.551 115.152 115.700 0.005 0.000 2.589 57 S HA 0.071 4.541 4.470 -0.000 0.000 0.265 57 S C 1.229 175.832 174.600 0.004 0.000 1.342 57 S CA -0.615 57.587 58.200 0.003 0.000 1.005 57 S CB 0.953 64.155 63.200 0.004 0.000 0.909 57 S HN 0.066 nan 8.310 nan 0.000 0.555 58 K N 1.586 121.989 120.400 0.005 0.000 2.044 58 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 58 K C 2.016 178.620 176.600 0.007 0.000 1.049 58 K CA 1.835 58.126 56.287 0.007 0.000 0.927 58 K CB -0.461 32.044 32.500 0.007 0.000 0.713 58 K HN 0.695 nan 8.250 nan 0.000 0.443 59 K N 0.291 120.694 120.400 0.006 0.000 2.211 59 K HA -0.025 4.294 4.320 -0.000 0.000 0.203 59 K C 1.241 177.845 176.600 0.006 0.000 1.050 59 K CA 0.665 56.955 56.287 0.005 0.000 0.945 59 K CB -0.247 32.255 32.500 0.004 0.000 0.732 59 K HN 0.315 nan 8.250 nan 0.000 0.451 60 G N 0.579 109.383 108.800 0.007 0.000 2.750 60 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.228 60 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.228 60 G C -0.008 174.898 174.900 0.010 0.000 1.367 60 G CA -0.601 44.505 45.100 0.010 0.000 0.871 60 G HN 0.610 nan 8.290 nan 0.000 0.560 61 G N -2.300 106.509 108.800 0.014 0.000 2.561 61 G HA2 0.567 4.527 3.960 -0.000 0.000 0.310 61 G HA3 0.567 4.527 3.960 -0.000 0.000 0.310 61 G C 0.453 175.365 174.900 0.020 0.000 1.292 61 G CA 0.712 45.820 45.100 0.013 0.000 0.811 61 G HN 0.833 nan 8.290 nan 0.000 0.482 62 N N -0.663 118.048 118.700 0.018 0.000 2.244 62 N HA 0.005 4.745 4.740 -0.000 0.000 0.183 62 N C 0.974 176.521 175.510 0.061 0.000 1.016 62 N CA 0.654 53.718 53.050 0.022 0.000 0.866 62 N CB -0.134 38.349 38.487 -0.006 0.000 0.980 62 N HN 0.435 nan 8.380 nan 0.000 0.430 63 I N 2.013 122.636 120.570 0.089 0.000 2.322 63 I HA 0.100 4.269 4.170 -0.000 0.000 0.292 63 I C -1.397 174.776 176.117 0.092 0.000 1.060 63 I CA -1.603 59.776 61.300 0.131 0.000 1.309 63 I CB 1.404 39.517 38.000 0.189 0.000 1.415 63 I HN -0.157 nan 8.210 nan 0.000 0.492 64 P HA -0.128 nan 4.420 nan 0.000 0.215 64 P C 0.485 177.804 177.300 0.030 0.000 1.153 64 P CA 1.005 64.133 63.100 0.046 0.000 0.853 64 P CB 0.053 31.775 31.700 0.037 0.000 0.788 65 M N -2.080 117.544 119.600 0.041 0.000 2.516 65 M HA -0.178 4.302 4.480 -0.000 0.000 0.183 65 M C -0.595 175.675 176.300 -0.051 0.000 0.928 65 M CA 0.815 56.124 55.300 0.015 0.000 0.573 65 M CB -2.609 30.017 32.600 0.042 0.000 1.126 65 M HN 0.046 nan 8.290 nan 0.000 0.859 66 I N 2.390 122.917 120.570 -0.071 0.000 2.396 66 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 66 I C -1.590 174.404 176.117 -0.205 0.000 1.056 66 I CA -1.800 59.439 61.300 -0.102 0.000 1.365 66 I CB 0.837 38.802 38.000 -0.059 0.000 1.407 66 I HN 0.112 nan 8.210 nan 0.000 0.509 67 P HA -0.009 nan 4.420 nan 0.000 0.263 67 P C 0.822 177.779 177.300 -0.573 0.000 1.195 67 P CA 0.269 63.029 63.100 -0.566 0.000 0.762 67 P CB 0.724 31.907 31.700 -0.862 0.000 0.799 68 G N 1.789 110.301 108.800 -0.480 0.000 2.939 68 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.210 68 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.210 68 G C -0.064 174.777 174.900 -0.099 0.000 1.160 68 G CA -0.289 44.659 45.100 -0.252 0.000 0.770 68 G HN 0.626 nan 8.290 nan 0.000 0.543 69 W N -1.194 120.053 121.300 -0.088 0.000 4.141 69 W HA -0.202 4.457 4.660 -0.000 0.000 0.336 69 W C -0.269 176.214 176.519 -0.060 0.000 1.258 69 W CA -0.359 56.947 57.345 -0.064 0.000 0.747 69 W CB -2.091 27.338 29.460 -0.052 0.000 2.338 69 W HN 0.027 nan 8.180 nan 0.000 1.410 70 V N 1.675 121.609 119.914 0.033 0.000 2.333 70 V HA 0.306 4.426 4.120 -0.000 0.000 0.274 70 V C 0.790 176.914 176.094 0.050 0.000 1.028 70 V CA 0.007 62.329 62.300 0.036 0.000 0.851 70 V CB 1.223 33.033 31.823 -0.021 0.000 1.000 70 V HN 0.049 nan 8.190 nan 0.000 0.456 71 V N 1.328 121.280 119.914 0.063 0.000 3.085 71 V HA 0.568 4.688 4.120 -0.000 0.000 0.345 71 V C 0.132 176.179 176.094 -0.078 0.000 1.397 71 V CA 0.047 62.357 62.300 0.017 0.000 1.165 71 V CB -0.499 31.354 31.823 0.051 0.000 1.153 71 V HN 0.843 nan 8.190 nan 0.000 0.495 72 E N -0.407 119.731 120.200 -0.103 0.000 2.392 72 E HA 0.563 4.913 4.350 -0.000 0.000 0.279 72 E C -1.869 174.539 176.600 -0.320 0.000 0.964 72 E CA -0.779 55.479 56.400 -0.236 0.000 0.777 72 E CB 2.059 31.720 29.700 -0.066 0.000 1.249 72 E HN 0.310 nan 8.360 nan 0.000 0.449 73 Y N 1.235 121.429 120.300 -0.177 0.000 2.299 73 Y HA 0.278 4.828 4.550 -0.000 0.000 0.326 73 Y C -1.846 174.049 175.900 -0.009 0.000 1.164 73 Y CA -2.434 55.554 58.100 -0.187 0.000 1.234 73 Y CB 0.090 38.386 38.460 -0.273 0.000 1.219 73 Y HN 0.239 nan 8.280 nan 0.000 0.497 74 P HA 0.019 nan 4.420 nan 0.000 0.271 74 P C 0.505 177.918 177.300 0.189 0.000 1.216 74 P CA -0.066 63.168 63.100 0.222 0.000 0.771 74 P CB 1.015 32.909 31.700 0.323 0.000 0.864 75 T N -1.655 112.980 114.554 0.134 0.000 3.100 75 T HA 0.217 4.567 4.350 -0.000 0.000 0.253 75 T C 1.438 176.098 174.700 -0.066 0.000 1.118 75 T CA 0.621 62.755 62.100 0.056 0.000 1.058 75 T CB -0.684 68.202 68.868 0.030 0.000 0.953 75 T HN 0.635 nan 8.240 nan 0.000 0.515 76 G N 1.560 110.272 108.800 -0.146 0.000 2.212 76 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.266 76 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.266 76 G C 0.831 175.465 174.900 -0.445 0.000 0.978 76 G CA 0.550 45.201 45.100 -0.749 0.000 0.632 76 G HN 0.549 nan 8.290 nan 0.000 0.537 77 K N 0.616 120.932 120.400 -0.141 0.000 2.426 77 K HA 0.289 4.609 4.320 -0.000 0.000 0.193 77 K C 0.837 177.496 176.600 0.097 0.000 1.028 77 K CA 0.254 56.519 56.287 -0.037 0.000 1.047 77 K CB 0.154 32.636 32.500 -0.030 0.000 0.821 77 K HN 0.539 nan 8.250 nan 0.000 0.513 78 E N 0.875 121.202 120.200 0.211 0.000 2.442 78 E HA 0.012 4.362 4.350 -0.000 0.000 0.262 78 E C -0.029 176.711 176.600 0.232 0.000 1.004 78 E CA 0.384 56.905 56.400 0.202 0.000 0.928 78 E CB 0.617 30.409 29.700 0.154 0.000 0.937 78 E HN 0.203 nan 8.360 nan 0.000 0.446 79 T N -0.609 114.078 114.554 0.222 0.000 2.896 79 T HA 0.858 5.208 4.350 -0.000 0.000 0.297 79 T C 0.151 175.041 174.700 0.317 0.000 1.108 79 T CA -0.485 61.755 62.100 0.233 0.000 1.004 79 T CB 2.026 70.985 68.868 0.152 0.000 1.159 79 T HN 0.779 nan 8.240 nan 0.000 0.499 80 G N 0.940 109.874 108.800 0.224 0.000 2.357 80 G HA2 0.313 4.273 3.960 -0.000 0.000 0.643 80 G HA3 0.313 4.273 3.960 -0.000 0.000 0.643 80 G C -2.238 172.470 174.900 -0.321 0.000 1.358 80 G CA -0.947 44.134 45.100 -0.030 0.000 0.986 80 G HN 0.863 nan 8.290 nan 0.000 0.620 81 D N 0.083 120.048 120.400 -0.726 0.000 2.233 81 D HA 0.709 5.349 4.640 -0.000 0.000 0.240 81 D C -0.547 175.142 176.300 -1.018 0.000 1.074 81 D CA 0.322 54.014 54.000 -0.513 0.000 0.838 81 D CB 1.299 42.020 40.800 -0.132 0.000 1.124 81 D HN 0.252 nan 8.370 nan 0.000 0.475 82 F N 0.353 120.338 119.950 0.058 0.000 2.588 82 F HA 0.443 4.969 4.527 -0.001 0.000 0.310 82 F C -0.076 175.747 175.800 0.039 0.000 1.082 82 F CA -1.014 57.001 58.000 0.026 0.000 0.929 82 F CB 1.505 40.497 39.000 -0.013 0.000 1.254 82 F HN -0.034 nan 8.300 nan 0.000 0.455 83 L N 2.116 123.455 121.223 0.193 0.000 2.334 83 L HA 0.890 5.230 4.340 -0.000 0.000 0.275 83 L C -0.317 176.599 176.870 0.076 0.000 1.036 83 L CA -0.891 54.013 54.840 0.106 0.000 0.807 83 L CB 1.781 43.883 42.059 0.073 0.000 1.231 83 L HN 0.805 nan 8.230 nan 0.000 0.438 84 A N 2.856 125.688 122.820 0.019 0.000 2.386 84 A HA 0.793 5.113 4.320 -0.000 0.000 0.311 84 A C -1.499 176.085 177.584 0.001 0.000 1.068 84 A CA -0.458 51.594 52.037 0.026 0.000 0.743 84 A CB 1.763 20.772 19.000 0.015 0.000 1.258 84 A HN 0.511 nan 8.150 nan 0.000 0.429 85 L N 1.507 122.771 121.223 0.069 0.000 2.356 85 L HA 0.748 5.088 4.340 -0.000 0.000 0.277 85 L C -1.317 175.705 176.870 0.254 0.000 0.996 85 L CA -0.159 54.725 54.840 0.073 0.000 0.822 85 L CB 1.903 43.908 42.059 -0.090 0.000 1.256 85 L HN 0.664 nan 8.230 nan 0.000 0.413 86 D N 4.435 124.963 120.400 0.214 0.000 2.420 86 D HA 0.265 4.905 4.640 -0.000 0.000 0.255 86 D C -1.430 175.033 176.300 0.272 0.000 1.185 86 D CA -0.257 53.885 54.000 0.238 0.000 0.904 86 D CB 0.928 41.806 40.800 0.131 0.000 1.102 86 D HN 0.497 nan 8.370 nan 0.000 0.534 87 L N 3.982 125.450 121.223 0.409 0.000 2.278 87 L HA 0.708 5.048 4.340 -0.000 0.000 0.287 87 L C 0.513 177.534 176.870 0.252 0.000 1.072 87 L CA 0.165 55.225 54.840 0.367 0.000 0.819 87 L CB 0.865 43.246 42.059 0.536 0.000 1.176 87 L HN 0.422 nan 8.230 nan 0.000 0.435 88 G N 2.601 111.499 108.800 0.164 0.000 2.642 88 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 88 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 88 G C 0.641 175.565 174.900 0.039 0.000 1.345 88 G CA -0.230 44.913 45.100 0.071 0.000 1.043 88 G HN 0.777 nan 8.290 nan 0.000 0.528 89 G N -1.768 107.015 108.800 -0.029 0.000 2.464 89 G HA2 0.114 4.073 3.960 -0.000 0.000 0.217 89 G HA3 0.114 4.073 3.960 -0.000 0.000 0.217 89 G C 1.218 176.214 174.900 0.160 0.000 1.138 89 G CA 1.701 46.803 45.100 0.002 0.000 0.793 89 G HN 0.575 nan 8.290 nan 0.000 0.539 90 T N -0.584 114.024 114.554 0.091 0.000 2.987 90 T HA 0.191 4.541 4.350 -0.000 0.000 0.248 90 T C 0.371 175.120 174.700 0.081 0.000 0.997 90 T CA -0.038 62.107 62.100 0.075 0.000 1.013 90 T CB 0.339 69.233 68.868 0.043 0.000 1.077 90 T HN 0.238 nan 8.240 nan 0.000 0.483 91 N N 0.837 119.599 118.700 0.102 0.000 2.284 91 N HA 0.636 5.376 4.740 -0.000 0.000 0.289 91 N C -1.750 173.866 175.510 0.176 0.000 1.179 91 N CA -0.928 52.204 53.050 0.138 0.000 0.774 91 N CB 2.195 40.745 38.487 0.106 0.000 1.548 91 N HN 0.082 nan 8.380 nan 0.000 0.473 92 L N -1.608 119.762 121.223 0.245 0.000 2.342 92 L HA 0.703 5.042 4.340 -0.000 0.000 0.271 92 L C -0.635 176.370 176.870 0.226 0.000 1.008 92 L CA -0.507 54.479 54.840 0.244 0.000 0.818 92 L CB 1.518 43.741 42.059 0.273 0.000 1.296 92 L HN 0.417 nan 8.230 nan 0.000 0.427 93 R N 1.822 122.415 120.500 0.156 0.000 2.562 93 R HA 0.802 5.142 4.340 -0.000 0.000 0.298 93 R C -1.565 174.753 176.300 0.031 0.000 0.961 93 R CA -0.852 55.300 56.100 0.087 0.000 0.881 93 R CB 2.284 32.614 30.300 0.050 0.000 1.159 93 R HN 0.673 nan 8.270 nan 0.000 0.450 94 V N 4.162 124.036 119.914 -0.067 0.000 2.448 94 V HA 0.415 4.535 4.120 -0.000 0.000 0.295 94 V C -0.360 175.458 176.094 -0.460 0.000 1.025 94 V CA -0.740 61.379 62.300 -0.302 0.000 0.859 94 V CB 1.949 33.476 31.823 -0.494 0.000 0.988 94 V HN 0.426 nan 8.190 nan 0.000 0.431 95 V N 5.782 125.500 119.914 -0.327 0.000 2.487 95 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 95 V C -0.529 175.510 176.094 -0.092 0.000 1.028 95 V CA -0.671 61.516 62.300 -0.189 0.000 0.860 95 V CB 1.858 33.639 31.823 -0.071 0.000 0.991 95 V HN 0.685 nan 8.190 nan 0.000 0.427 96 L N 6.489 127.759 121.223 0.078 0.000 2.275 96 L HA 0.699 5.039 4.340 -0.000 0.000 0.288 96 L C -0.523 176.418 176.870 0.118 0.000 1.046 96 L CA 0.220 55.177 54.840 0.194 0.000 0.805 96 L CB 1.486 43.752 42.059 0.345 0.000 1.193 96 L HN 0.463 nan 8.230 nan 0.000 0.426 97 V N 5.426 125.417 119.914 0.127 0.000 2.444 97 V HA 0.443 4.563 4.120 -0.000 0.000 0.294 97 V C -0.227 175.969 176.094 0.171 0.000 1.022 97 V CA -0.778 61.598 62.300 0.127 0.000 0.850 97 V CB 1.518 33.377 31.823 0.060 0.000 0.992 97 V HN 0.654 nan 8.190 nan 0.000 0.426 98 K N 5.336 125.841 120.400 0.175 0.000 2.281 98 K HA 0.597 4.917 4.320 -0.000 0.000 0.272 98 K C -0.910 175.827 176.600 0.229 0.000 1.048 98 K CA -0.337 56.051 56.287 0.168 0.000 0.898 98 K CB 1.244 33.817 32.500 0.121 0.000 1.128 98 K HN 0.557 nan 8.250 nan 0.000 0.460 99 L N 1.901 123.273 121.223 0.248 0.000 2.290 99 L HA 0.254 4.594 4.340 -0.000 0.000 0.284 99 L C 1.352 178.377 176.870 0.258 0.000 1.078 99 L CA -0.242 54.755 54.840 0.262 0.000 0.815 99 L CB 1.155 43.327 42.059 0.189 0.000 1.162 99 L HN 0.871 nan 8.230 nan 0.000 0.435 100 G N 0.771 109.740 108.800 0.281 0.000 3.088 100 G HA2 0.304 4.264 3.960 -0.000 0.000 0.217 100 G HA3 0.304 4.264 3.960 -0.000 0.000 0.217 100 G C 1.062 176.059 174.900 0.161 0.000 1.159 100 G CA 0.330 45.543 45.100 0.187 0.000 0.760 100 G HN 0.974 nan 8.290 nan 0.000 0.550 101 G N 0.206 109.137 108.800 0.217 0.000 2.155 101 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 101 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 101 G C 0.393 175.282 174.900 -0.018 0.000 0.983 101 G CA 0.520 45.690 45.100 0.117 0.000 0.676 101 G HN 0.664 nan 8.290 nan 0.000 0.528 102 N N 0.134 118.817 118.700 -0.028 0.000 2.642 102 N HA 0.276 5.016 4.740 -0.000 0.000 0.308 102 N C 0.755 176.208 175.510 -0.094 0.000 1.914 102 N CA -0.264 52.721 53.050 -0.108 0.000 0.893 102 N CB -0.259 38.226 38.487 -0.003 0.000 1.322 102 N HN 0.350 nan 8.380 nan 0.000 0.490 103 H N -0.717 118.184 119.070 -0.281 0.000 2.899 103 H HA -0.171 4.385 4.556 -0.000 0.000 0.282 103 H C -0.888 174.372 175.328 -0.112 0.000 1.198 103 H CA 1.592 57.322 56.048 -0.530 0.000 1.140 103 H CB -1.541 28.050 29.762 -0.285 0.000 1.317 103 H HN 0.712 nan 8.280 nan 0.000 0.375 104 D N -0.282 120.270 120.400 0.254 0.000 2.547 104 D HA 0.604 5.244 4.640 -0.000 0.000 0.231 104 D C 0.117 176.681 176.300 0.439 0.000 1.099 104 D CA -0.800 53.351 54.000 0.251 0.000 0.901 104 D CB 1.975 42.824 40.800 0.082 0.000 1.478 104 D HN 0.079 nan 8.370 nan 0.000 0.471 105 F N -1.435 118.646 119.950 0.218 0.000 2.713 105 F HA 0.680 5.207 4.527 0.000 0.000 0.311 105 F C -1.930 173.930 175.800 0.100 0.000 1.141 105 F CA -1.101 56.995 58.000 0.159 0.000 0.939 105 F CB 1.647 40.728 39.000 0.134 0.000 1.325 105 F HN 0.350 nan 8.300 nan 0.000 0.453 106 D N 0.170 120.779 120.400 0.347 0.000 2.671 106 D HA 0.680 5.320 4.640 -0.000 0.000 0.232 106 D C -1.309 175.153 176.300 0.270 0.000 1.114 106 D CA -0.173 53.950 54.000 0.205 0.000 0.858 106 D CB 2.532 43.390 40.800 0.096 0.000 1.544 106 D HN 0.989 nan 8.370 nan 0.000 0.471 107 T N -0.604 114.064 114.554 0.190 0.000 2.916 107 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 107 T C -0.765 173.931 174.700 -0.006 0.000 1.055 107 T CA -0.731 61.442 62.100 0.121 0.000 1.009 107 T CB 1.800 70.761 68.868 0.155 0.000 1.118 107 T HN 0.268 nan 8.240 nan 0.000 0.497 108 T N 2.409 116.932 114.554 -0.053 0.000 2.991 108 T HA 0.624 4.974 4.350 -0.000 0.000 0.303 108 T C -1.139 173.558 174.700 -0.005 0.000 1.015 108 T CA -0.890 61.088 62.100 -0.204 0.000 1.007 108 T CB 1.467 69.992 68.868 -0.572 0.000 1.034 108 T HN 0.926 nan 8.240 nan 0.000 0.446 109 Q N 2.632 122.442 119.800 0.015 0.000 2.418 109 Q HA 0.604 4.944 4.340 -0.000 0.000 0.282 109 Q C -1.674 174.384 176.000 0.096 0.000 1.044 109 Q CA -1.082 54.754 55.803 0.054 0.000 0.813 109 Q CB 2.225 30.957 28.738 -0.009 0.000 1.428 109 Q HN 0.569 nan 8.270 nan 0.000 0.402 110 N N 0.334 119.061 118.700 0.045 0.000 2.312 110 N HA 0.468 5.207 4.740 -0.000 0.000 0.296 110 N C -1.758 173.654 175.510 -0.164 0.000 1.193 110 N CA -0.843 52.185 53.050 -0.037 0.000 0.773 110 N CB 2.441 40.949 38.487 0.036 0.000 1.435 110 N HN 0.458 nan 8.380 nan 0.000 0.484 111 K N 1.956 122.179 120.400 -0.294 0.000 2.427 111 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 111 K C -1.902 174.515 176.600 -0.304 0.000 0.931 111 K CA -0.503 55.689 56.287 -0.158 0.000 0.793 111 K CB 1.171 33.642 32.500 -0.049 0.000 1.211 111 K HN 0.490 nan 8.250 nan 0.000 0.426 112 Y N 1.631 122.002 120.300 0.117 0.000 2.391 112 Y HA 0.377 4.927 4.550 -0.000 0.000 0.341 112 Y C 0.174 176.188 175.900 0.191 0.000 0.965 112 Y CA -1.002 57.200 58.100 0.170 0.000 1.067 112 Y CB 1.703 40.284 38.460 0.203 0.000 1.199 112 Y HN 0.409 nan 8.280 nan 0.000 0.450 113 R N 3.363 124.038 120.500 0.292 0.000 2.442 113 R HA 0.294 4.633 4.340 -0.000 0.000 0.291 113 R C -0.924 175.467 176.300 0.152 0.000 1.069 113 R CA -0.277 55.930 56.100 0.178 0.000 1.022 113 R CB 0.356 30.719 30.300 0.106 0.000 0.976 113 R HN 0.755 nan 8.270 nan 0.000 0.443 114 L N 7.390 128.609 121.223 -0.007 0.000 2.410 114 L HA 0.223 4.563 4.340 -0.000 0.000 0.273 114 L C -1.818 174.818 176.870 -0.390 0.000 1.144 114 L CA -1.965 52.665 54.840 -0.350 0.000 0.863 114 L CB 0.756 42.671 42.059 -0.239 0.000 1.140 114 L HN 0.477 nan 8.230 nan 0.000 0.463 115 P HA 0.005 nan 4.420 nan 0.000 0.266 115 P C -0.257 176.746 177.300 -0.496 0.000 1.195 115 P CA -0.282 62.566 63.100 -0.419 0.000 0.768 115 P CB 0.454 31.902 31.700 -0.419 0.000 0.838 116 D N 0.630 120.876 120.400 -0.256 0.000 2.310 116 D HA -0.214 4.426 4.640 -0.000 0.000 0.212 116 D C 1.435 177.584 176.300 -0.252 0.000 0.965 116 D CA 1.311 55.181 54.000 -0.215 0.000 0.879 116 D CB -0.985 39.754 40.800 -0.101 0.000 0.921 116 D HN 0.600 nan 8.370 nan 0.000 0.510 117 H N 0.677 119.625 119.070 -0.203 0.000 2.495 117 H HA 0.072 4.628 4.556 -0.000 0.000 0.287 117 H C 1.952 177.107 175.328 -0.287 0.000 1.033 117 H CA 0.277 56.201 56.048 -0.206 0.000 1.307 117 H CB -0.491 29.180 29.762 -0.151 0.000 1.401 117 H HN 0.162 nan 8.280 nan 0.000 0.555 118 L N 0.720 121.505 121.223 -0.731 0.000 2.081 118 L HA -0.172 4.167 4.340 -0.000 0.000 0.212 118 L C 2.956 179.364 176.870 -0.771 0.000 1.080 118 L CA 1.220 55.670 54.840 -0.650 0.000 0.754 118 L CB -0.516 41.129 42.059 -0.689 0.000 0.893 118 L HN 0.231 nan 8.230 nan 0.000 0.433 119 R N -0.486 119.476 120.500 -0.898 0.000 2.117 119 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 119 R C 1.188 177.048 176.300 -0.734 0.000 1.143 119 R CA 1.882 57.286 56.100 -1.160 0.000 0.968 119 R CB -0.148 29.724 30.300 -0.713 0.000 0.863 119 R HN 0.344 nan 8.270 nan 0.000 0.444 120 T N -1.419 112.875 114.554 -0.433 0.000 3.231 120 T HA 0.237 4.587 4.350 -0.000 0.000 0.292 120 T C 0.319 174.924 174.700 -0.159 0.000 1.001 120 T CA -0.072 61.880 62.100 -0.248 0.000 0.920 120 T CB 1.328 70.099 68.868 -0.162 0.000 1.140 120 T HN 0.308 nan 8.240 nan 0.000 0.525 121 G N 1.800 110.491 108.800 -0.182 0.000 2.510 121 G HA2 0.505 4.465 3.960 -0.000 0.000 0.280 121 G HA3 0.505 4.465 3.960 -0.000 0.000 0.280 121 G C 0.328 175.197 174.900 -0.052 0.000 1.386 121 G CA -0.347 44.710 45.100 -0.071 0.000 1.047 121 G HN 0.348 nan 8.290 nan 0.000 0.527 122 T N -3.129 111.423 114.554 -0.002 0.000 2.816 122 T HA 0.305 4.655 4.350 -0.000 0.000 0.282 122 T C 1.641 176.377 174.700 0.060 0.000 0.993 122 T CA 0.543 62.668 62.100 0.042 0.000 0.994 122 T CB 1.274 70.177 68.868 0.059 0.000 1.025 122 T HN 0.412 nan 8.240 nan 0.000 0.529 123 S N -0.352 115.438 115.700 0.149 0.000 2.353 123 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 123 S C 1.953 176.725 174.600 0.286 0.000 1.035 123 S CA 1.971 60.329 58.200 0.263 0.000 1.025 123 S CB -0.809 62.607 63.200 0.361 0.000 0.902 123 S HN 0.917 nan 8.310 nan 0.000 0.440 124 E N 0.062 120.403 120.200 0.235 0.000 2.118 124 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 124 E C 2.144 178.841 176.600 0.162 0.000 0.992 124 E CA 1.471 58.005 56.400 0.223 0.000 0.804 124 E CB -0.301 29.483 29.700 0.140 0.000 0.741 124 E HN 0.538 nan 8.360 nan 0.000 0.458 125 Q N 0.355 120.211 119.800 0.093 0.000 2.061 125 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 125 Q C 2.120 178.131 176.000 0.018 0.000 0.984 125 Q CA 1.699 57.542 55.803 0.066 0.000 0.846 125 Q CB -0.205 28.557 28.738 0.041 0.000 0.902 125 Q HN 0.423 nan 8.270 nan 0.000 0.421 126 L N -1.232 119.916 121.223 -0.125 0.000 2.023 126 L HA -0.142 4.197 4.340 -0.000 0.000 0.205 126 L C 1.734 178.476 176.870 -0.214 0.000 1.073 126 L CA 1.475 56.139 54.840 -0.292 0.000 0.745 126 L CB -0.353 41.355 42.059 -0.585 0.000 0.900 126 L HN 0.467 nan 8.230 nan 0.000 0.435 127 W N 0.040 121.425 121.300 0.141 0.000 2.402 127 W HA -0.174 4.486 4.660 -0.000 0.000 0.286 127 W C 2.923 179.479 176.519 0.062 0.000 1.221 127 W CA 0.950 58.351 57.345 0.093 0.000 1.257 127 W CB -0.529 28.969 29.460 0.063 0.000 1.120 127 W HN 0.302 nan 8.180 nan 0.000 0.551 128 S N -0.338 115.514 115.700 0.254 0.000 2.387 128 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 128 S C 1.695 176.364 174.600 0.116 0.000 1.026 128 S CA 0.968 59.264 58.200 0.160 0.000 0.972 128 S CB -1.142 62.139 63.200 0.135 0.000 0.814 128 S HN 0.324 nan 8.310 nan 0.000 0.477 129 F N 2.638 122.592 119.950 0.006 0.000 2.113 129 F HA 0.086 4.613 4.527 -0.000 0.000 0.297 129 F C 1.928 177.688 175.800 -0.067 0.000 1.103 129 F CA 1.156 59.135 58.000 -0.035 0.000 1.248 129 F CB -0.337 38.629 39.000 -0.056 0.000 0.999 129 F HN 0.114 nan 8.300 nan 0.000 0.475 130 I N 0.705 121.325 120.570 0.084 0.000 2.127 130 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 130 I C 2.777 178.799 176.117 -0.158 0.000 1.075 130 I CA 1.412 62.687 61.300 -0.042 0.000 1.334 130 I CB -1.194 36.865 38.000 0.099 0.000 1.040 130 I HN 0.270 nan 8.210 nan 0.000 0.405 131 A N 0.647 123.435 122.820 -0.054 0.000 1.940 131 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 131 A C 2.427 179.933 177.584 -0.129 0.000 1.176 131 A CA 1.820 53.819 52.037 -0.063 0.000 0.631 131 A CB -0.555 18.445 19.000 0.001 0.000 0.814 131 A HN 0.323 nan 8.150 nan 0.000 0.446 132 K N -0.120 120.162 120.400 -0.197 0.000 2.057 132 K HA -0.150 4.169 4.320 -0.000 0.000 0.207 132 K C 2.000 178.389 176.600 -0.351 0.000 1.049 132 K CA 1.806 57.949 56.287 -0.240 0.000 0.931 132 K CB -0.668 31.677 32.500 -0.258 0.000 0.714 132 K HN 0.528 nan 8.250 nan 0.000 0.440 133 C N 0.955 119.893 119.300 -0.603 0.000 2.425 133 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 133 C C 2.797 177.587 174.990 -0.333 0.000 1.280 133 C CA 0.395 58.922 59.018 -0.818 0.000 1.744 133 C CB -0.890 26.117 27.740 -1.222 0.000 1.989 133 C HN 0.437 nan 8.230 nan 0.000 0.491 134 L N 0.987 122.094 121.223 -0.193 0.000 2.046 134 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 134 L C 2.783 179.708 176.870 0.092 0.000 1.077 134 L CA 1.651 56.483 54.840 -0.012 0.000 0.747 134 L CB -0.734 41.298 42.059 -0.044 0.000 0.896 134 L HN 0.388 nan 8.230 nan 0.000 0.432 135 K N 0.922 121.330 120.400 0.012 0.000 2.026 135 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 135 K C 1.979 178.622 176.600 0.072 0.000 1.048 135 K CA 2.062 58.369 56.287 0.034 0.000 0.929 135 K CB -0.075 32.418 32.500 -0.012 0.000 0.713 135 K HN 0.465 nan 8.250 nan 0.000 0.439 136 E N -0.599 119.636 120.200 0.058 0.000 2.285 136 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 136 E C 1.879 178.598 176.600 0.198 0.000 0.997 136 E CA 0.399 56.851 56.400 0.086 0.000 0.845 136 E CB -0.277 29.450 29.700 0.045 0.000 0.782 136 E HN 0.351 nan 8.360 nan 0.000 0.491 137 F N 1.029 121.070 119.950 0.152 0.000 2.128 137 F HA -0.080 4.446 4.527 -0.001 0.000 0.295 137 F C 1.990 177.973 175.800 0.305 0.000 1.100 137 F CA 1.210 59.385 58.000 0.292 0.000 1.260 137 F CB -0.089 39.089 39.000 0.296 0.000 1.009 137 F HN -0.106 nan 8.300 nan 0.000 0.476 138 V N 0.155 120.284 119.914 0.360 0.000 2.548 138 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 138 V C 1.866 178.053 176.094 0.155 0.000 1.055 138 V CA 1.913 64.392 62.300 0.297 0.000 1.065 138 V CB -0.694 31.280 31.823 0.252 0.000 0.681 138 V HN 0.258 nan 8.190 nan 0.000 0.462 139 D N -0.316 120.126 120.400 0.070 0.000 2.178 139 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 139 D C 2.281 178.517 176.300 -0.107 0.000 0.980 139 D CA 0.892 54.891 54.000 -0.002 0.000 0.842 139 D CB 0.022 40.817 40.800 -0.009 0.000 0.948 139 D HN 0.415 nan 8.370 nan 0.000 0.472 140 E N -0.538 119.533 120.200 -0.215 0.000 2.016 140 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 140 E C 1.933 178.072 176.600 -0.769 0.000 0.985 140 E CA 0.646 56.717 56.400 -0.548 0.000 0.802 140 E CB -0.326 28.945 29.700 -0.716 0.000 0.762 140 E HN 0.428 nan 8.360 nan 0.000 0.448 141 W N -0.585 120.523 121.300 -0.321 0.000 3.077 141 W HA 0.000 4.660 4.660 -0.000 0.000 0.245 141 W C 0.146 176.295 176.519 -0.616 0.000 1.316 141 W CA 0.064 57.135 57.345 -0.457 0.000 1.537 141 W CB 0.063 29.169 29.460 -0.589 0.000 1.131 141 W HN 0.033 nan 8.180 nan 0.000 0.695 142 Y N -0.537 119.739 120.300 -0.040 0.000 2.513 142 Y HA 0.221 4.771 4.550 -0.000 0.000 0.341 142 Y C -1.800 174.068 175.900 -0.053 0.000 1.075 142 Y CA -2.124 55.966 58.100 -0.017 0.000 1.190 142 Y CB 0.631 39.102 38.460 0.019 0.000 1.111 142 Y HN -0.199 nan 8.280 nan 0.000 0.644 143 P HA -0.159 nan 4.420 nan 0.000 0.216 143 P C -0.139 177.164 177.300 0.004 0.000 1.150 143 P CA 1.733 64.812 63.100 -0.036 0.000 0.843 143 P CB 0.210 31.867 31.700 -0.072 0.000 0.787 144 D N -2.024 118.397 120.400 0.036 0.000 3.010 144 D HA 0.441 5.081 4.640 -0.000 0.000 0.347 144 D C 0.889 177.220 176.300 0.052 0.000 1.340 144 D CA -0.348 53.670 54.000 0.032 0.000 0.858 144 D CB -0.256 40.554 40.800 0.017 0.000 1.111 144 D HN 0.121 nan 8.370 nan 0.000 0.482 145 G N -0.323 108.519 108.800 0.070 0.000 2.591 145 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.278 145 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.278 145 G C -0.373 174.549 174.900 0.037 0.000 1.293 145 G CA 0.159 45.282 45.100 0.039 0.000 0.930 145 G HN 1.010 nan 8.290 nan 0.000 0.562 146 V N -1.239 118.636 119.914 -0.064 0.000 3.232 146 V HA 0.672 4.792 4.120 -0.000 0.000 0.303 146 V C 1.480 177.530 176.094 -0.072 0.000 1.311 146 V CA 1.078 63.333 62.300 -0.075 0.000 1.061 146 V CB 1.451 33.134 31.823 -0.232 0.000 1.085 146 V HN 2.205 nan 8.190 nan 0.000 0.447 147 S N 1.464 117.132 115.700 -0.053 0.000 2.335 147 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 147 S C 0.690 175.256 174.600 -0.057 0.000 1.032 147 S CA 0.896 59.071 58.200 -0.042 0.000 0.985 147 S CB -0.304 62.882 63.200 -0.024 0.000 0.896 147 S HN 0.759 nan 8.310 nan 0.000 0.445 148 E N 3.435 123.592 120.200 -0.072 0.000 2.338 148 E HA 0.432 4.781 4.350 -0.000 0.000 0.272 148 E C -2.665 173.872 176.600 -0.104 0.000 1.029 148 E CA -2.245 54.111 56.400 -0.074 0.000 0.872 148 E CB 0.475 30.130 29.700 -0.074 0.000 1.015 148 E HN 0.245 nan 8.360 nan 0.000 0.417 149 P HA 0.022 nan 4.420 nan 0.000 0.269 149 P C -0.749 176.492 177.300 -0.098 0.000 1.209 149 P CA 0.030 63.078 63.100 -0.086 0.000 0.776 149 P CB 0.451 32.120 31.700 -0.051 0.000 0.876 150 L N 5.170 126.322 121.223 -0.119 0.000 2.361 150 L HA 0.241 4.580 4.340 -0.000 0.000 0.278 150 L C -1.986 174.883 176.870 -0.002 0.000 1.113 150 L CA -1.788 52.990 54.840 -0.103 0.000 0.849 150 L CB 0.196 42.190 42.059 -0.109 0.000 1.155 150 L HN 0.223 nan 8.230 nan 0.000 0.452 151 P HA 0.121 nan 4.420 nan 0.000 0.271 151 P C -0.880 176.515 177.300 0.159 0.000 1.220 151 P CA -0.148 63.041 63.100 0.148 0.000 0.768 151 P CB 0.805 32.671 31.700 0.277 0.000 0.848 152 L N 3.064 124.343 121.223 0.093 0.000 2.322 152 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 152 L C 0.135 177.056 176.870 0.086 0.000 1.014 152 L CA -0.444 54.443 54.840 0.079 0.000 0.815 152 L CB 1.353 43.428 42.059 0.026 0.000 1.247 152 L HN 0.428 nan 8.230 nan 0.000 0.421 153 G N 3.560 112.417 108.800 0.095 0.000 2.332 153 G HA2 0.409 4.369 3.960 -0.000 0.000 0.310 153 G HA3 0.409 4.369 3.960 -0.000 0.000 0.310 153 G C -1.439 173.585 174.900 0.207 0.000 1.123 153 G CA -0.285 44.885 45.100 0.116 0.000 0.873 153 G HN 0.406 nan 8.290 nan 0.000 0.460 154 F N 2.874 122.853 119.950 0.048 0.000 2.375 154 F HA 0.471 4.998 4.527 -0.000 0.000 0.361 154 F C 0.267 176.145 175.800 0.129 0.000 1.117 154 F CA -1.474 56.579 58.000 0.089 0.000 1.037 154 F CB 1.387 40.430 39.000 0.072 0.000 1.192 154 F HN 0.267 nan 8.300 nan 0.000 0.452 155 T N 7.526 122.304 114.554 0.373 0.000 2.738 155 T HA 0.204 4.554 4.350 -0.000 0.000 0.294 155 T C -0.759 174.020 174.700 0.131 0.000 0.914 155 T CA 0.122 62.325 62.100 0.172 0.000 1.052 155 T CB -0.365 68.591 68.868 0.148 0.000 0.897 155 T HN 0.390 nan 8.240 nan 0.000 0.522 156 F N 3.192 122.977 119.950 -0.275 0.000 2.434 156 F HA 0.409 4.936 4.527 -0.000 0.000 0.367 156 F C 0.158 175.986 175.800 0.047 0.000 1.093 156 F CA -0.939 56.873 58.000 -0.315 0.000 1.085 156 F CB 0.984 39.478 39.000 -0.843 0.000 1.322 156 F HN 0.346 nan 8.300 nan 0.000 0.452 157 S N 5.925 121.622 115.700 -0.005 0.000 3.700 157 S HA 0.353 4.823 4.470 -0.000 0.000 0.192 157 S C -1.288 173.099 174.600 -0.355 0.000 1.430 157 S CA -0.121 58.001 58.200 -0.129 0.000 0.999 157 S CB -0.629 62.494 63.200 -0.129 0.000 1.411 157 S HN 0.461 nan 8.310 nan 0.000 0.491 158 Y N 0.347 120.348 120.300 -0.499 0.000 2.524 158 Y HA 0.448 4.998 4.550 -0.000 0.000 0.347 158 Y C -2.604 173.161 175.900 -0.224 0.000 1.005 158 Y CA -3.064 54.789 58.100 -0.412 0.000 1.025 158 Y CB 0.310 38.375 38.460 -0.658 0.000 1.275 158 Y HN 0.150 nan 8.280 nan 0.000 0.460 159 P HA 0.340 nan 4.420 nan 0.000 0.263 159 P C -1.107 176.223 177.300 0.050 0.000 1.195 159 P CA 0.324 63.434 63.100 0.017 0.000 0.762 159 P CB 0.381 32.086 31.700 0.008 0.000 0.799 160 A N 2.327 125.186 122.820 0.065 0.000 2.491 160 A HA 0.553 4.872 4.320 -0.000 0.000 0.293 160 A C -0.274 177.345 177.584 0.059 0.000 1.047 160 A CA -0.541 51.548 52.037 0.087 0.000 0.735 160 A CB 0.970 20.087 19.000 0.194 0.000 1.281 160 A HN 0.447 nan 8.150 nan 0.000 0.398 161 S N 2.178 117.900 115.700 0.037 0.000 2.554 161 S HA 0.717 5.187 4.470 -0.000 0.000 0.278 161 S C -0.487 174.144 174.600 0.050 0.000 1.242 161 S CA -0.485 57.742 58.200 0.045 0.000 1.051 161 S CB 1.019 64.237 63.200 0.029 0.000 0.986 161 S HN 0.679 nan 8.310 nan 0.000 0.502 162 Q N 1.276 121.139 119.800 0.105 0.000 2.304 162 Q HA 0.361 4.701 4.340 -0.000 0.000 0.270 162 Q C -0.350 175.735 176.000 0.141 0.000 1.035 162 Q CA -0.635 55.228 55.803 0.100 0.000 0.781 162 Q CB 2.353 31.202 28.738 0.186 0.000 1.261 162 Q HN 0.731 nan 8.270 nan 0.000 0.444 163 K N 1.257 121.623 120.400 -0.058 0.000 2.393 163 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 163 K C 0.110 176.272 176.600 -0.730 0.000 1.026 163 K CA 0.586 56.769 56.287 -0.174 0.000 1.064 163 K CB 0.443 32.861 32.500 -0.137 0.000 0.833 163 K HN 0.466 nan 8.250 nan 0.000 0.521 164 K N -0.925 119.026 120.400 -0.748 0.000 2.597 164 K HA 0.197 4.517 4.320 -0.000 0.000 0.282 164 K C 0.110 176.428 176.600 -0.469 0.000 0.975 164 K CA -0.658 55.069 56.287 -0.934 0.000 0.867 164 K CB 0.757 32.930 32.500 -0.544 0.000 1.465 164 K HN -0.162 nan 8.250 nan 0.000 0.417 165 I N 1.097 121.501 120.570 -0.277 0.000 2.361 165 I HA -0.217 3.952 4.170 -0.000 0.000 0.251 165 I C 0.556 176.653 176.117 -0.034 0.000 1.133 165 I CA 1.257 62.556 61.300 -0.001 0.000 1.413 165 I CB 0.011 38.065 38.000 0.090 0.000 1.073 165 I HN 0.734 nan 8.210 nan 0.000 0.424 166 N N 0.405 119.054 118.700 -0.084 0.000 2.758 166 N HA 0.075 4.815 4.740 -0.000 0.000 0.293 166 N C -0.519 174.941 175.510 -0.084 0.000 1.273 166 N CA -0.030 52.984 53.050 -0.061 0.000 1.022 166 N CB 0.551 39.004 38.487 -0.057 0.000 1.334 166 N HN 0.117 nan 8.380 nan 0.000 0.519 167 S N -1.101 114.547 115.700 -0.087 0.000 2.565 167 S HA 0.783 5.253 4.470 -0.000 0.000 0.269 167 S C -1.405 173.144 174.600 -0.084 0.000 1.153 167 S CA -0.429 57.711 58.200 -0.100 0.000 0.835 167 S CB 1.349 64.478 63.200 -0.118 0.000 1.122 167 S HN 0.490 nan 8.310 nan 0.000 0.462 168 G N 1.792 110.527 108.800 -0.108 0.000 2.267 168 G HA2 0.478 4.438 3.960 -0.000 0.000 0.285 168 G HA3 0.478 4.438 3.960 -0.000 0.000 0.285 168 G C -1.602 173.234 174.900 -0.107 0.000 1.323 168 G CA -0.314 44.730 45.100 -0.095 0.000 1.306 168 G HN 0.837 nan 8.290 nan 0.000 0.617 169 V N 4.389 124.269 119.914 -0.057 0.000 2.385 169 V HA 0.261 4.381 4.120 -0.000 0.000 0.269 169 V C 0.881 176.953 176.094 -0.037 0.000 1.043 169 V CA -0.852 61.413 62.300 -0.057 0.000 0.906 169 V CB 1.438 33.229 31.823 -0.053 0.000 0.995 169 V HN 0.703 nan 8.190 nan 0.000 0.467 170 L N 6.221 127.411 121.223 -0.055 0.000 2.534 170 L HA 0.077 4.416 4.340 -0.000 0.000 0.271 170 L C 1.406 178.209 176.870 -0.113 0.000 1.178 170 L CA 0.728 55.524 54.840 -0.073 0.000 0.907 170 L CB 1.079 43.008 42.059 -0.217 0.000 1.164 170 L HN 0.813 nan 8.230 nan 0.000 0.482 171 Q N 5.329 125.085 119.800 -0.073 0.000 2.134 171 Q HA 0.036 4.376 4.340 -0.000 0.000 0.195 171 Q C -0.135 175.821 176.000 -0.074 0.000 0.958 171 Q CA 0.721 56.487 55.803 -0.061 0.000 0.840 171 Q CB 0.372 29.098 28.738 -0.021 0.000 0.918 171 Q HN 0.692 nan 8.270 nan 0.000 0.467 172 R N -1.492 118.962 120.500 -0.077 0.000 2.604 172 R HA 0.345 4.684 4.340 -0.000 0.000 0.261 172 R C -1.888 174.435 176.300 0.038 0.000 1.080 172 R CA -0.704 55.380 56.100 -0.028 0.000 0.917 172 R CB 0.109 30.432 30.300 0.039 0.000 1.252 172 R HN -0.052 nan 8.270 nan 0.000 0.456 173 W N 2.043 123.432 121.300 0.149 0.000 2.170 173 W HA 0.380 5.040 4.660 -0.000 0.000 0.336 173 W C 0.038 176.631 176.519 0.124 0.000 1.283 173 W CA 0.113 57.578 57.345 0.200 0.000 1.224 173 W CB 1.630 31.233 29.460 0.238 0.000 1.132 173 W HN 0.592 nan 8.180 nan 0.000 0.571 174 T N 0.260 115.049 114.554 0.392 0.000 2.773 174 T HA 0.353 4.702 4.350 -0.000 0.000 0.278 174 T C -0.424 174.306 174.700 0.049 0.000 1.011 174 T CA -1.183 60.986 62.100 0.115 0.000 1.014 174 T CB 1.414 70.243 68.868 -0.064 0.000 1.293 174 T HN 0.411 nan 8.240 nan 0.000 0.554 175 K N 0.434 120.808 120.400 -0.043 0.000 3.069 175 K HA -0.124 4.196 4.320 -0.000 0.000 0.267 175 K C 0.728 177.386 176.600 0.097 0.000 1.082 175 K CA 0.515 56.774 56.287 -0.047 0.000 0.782 175 K CB -2.073 30.316 32.500 -0.186 0.000 1.230 175 K HN 1.392 nan 8.250 nan 0.000 0.488 176 G N -0.101 108.763 108.800 0.106 0.000 2.323 176 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.292 176 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.292 176 G C -0.185 174.800 174.900 0.143 0.000 1.040 176 G CA 0.269 45.431 45.100 0.103 0.000 0.942 176 G HN 0.283 nan 8.290 nan 0.000 0.506 177 F N -0.231 119.645 119.950 -0.124 0.000 2.397 177 F HA 0.626 5.153 4.527 -0.000 0.000 0.331 177 F C 0.559 176.104 175.800 -0.425 0.000 1.090 177 F CA -1.311 56.452 58.000 -0.395 0.000 1.065 177 F CB 2.178 40.776 39.000 -0.670 0.000 1.184 177 F HN 0.058 nan 8.300 nan 0.000 0.499 178 D N 3.101 123.213 120.400 -0.480 0.000 3.118 178 D HA 0.293 4.932 4.640 -0.000 0.000 0.259 178 D C -1.256 174.939 176.300 -0.174 0.000 1.292 178 D CA 0.119 54.010 54.000 -0.182 0.000 0.784 178 D CB -0.056 40.684 40.800 -0.101 0.000 1.413 178 D HN 0.284 nan 8.370 nan 0.000 0.583 179 I N 1.719 122.222 120.570 -0.111 0.000 2.355 179 I HA 0.242 4.411 4.170 -0.000 0.000 0.288 179 I C 0.259 176.609 176.117 0.389 0.000 0.999 179 I CA -0.817 60.549 61.300 0.109 0.000 1.163 179 I CB 1.471 39.499 38.000 0.046 0.000 1.316 179 I HN -0.047 nan 8.210 nan 0.000 0.454 180 E N 5.265 125.600 120.200 0.226 0.000 2.324 180 E HA 0.278 4.627 4.350 -0.000 0.000 0.271 180 E C 0.914 177.660 176.600 0.242 0.000 1.028 180 E CA 0.282 56.814 56.400 0.220 0.000 0.890 180 E CB 1.146 30.928 29.700 0.137 0.000 1.004 180 E HN 0.974 nan 8.360 nan 0.000 0.431 181 G N 1.768 110.730 108.800 0.270 0.000 2.175 181 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.182 181 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.182 181 G C 0.623 175.744 174.900 0.368 0.000 1.003 181 G CA 0.066 45.325 45.100 0.264 0.000 0.666 181 G HN 0.406 nan 8.290 nan 0.000 0.506 182 V N -0.014 120.142 119.914 0.403 0.000 3.090 182 V HA 0.250 4.370 4.120 -0.000 0.000 0.237 182 V C 1.277 177.458 176.094 0.144 0.000 1.209 182 V CA 0.792 63.320 62.300 0.380 0.000 1.209 182 V CB 0.176 32.280 31.823 0.468 0.000 0.971 182 V HN 0.383 nan 8.190 nan 0.000 0.477 183 E N 1.051 121.240 120.200 -0.018 0.000 2.493 183 E HA 0.304 4.654 4.350 -0.000 0.000 0.255 183 E C 1.139 177.608 176.600 -0.220 0.000 0.999 183 E CA 0.948 57.252 56.400 -0.159 0.000 0.934 183 E CB 0.218 29.849 29.700 -0.114 0.000 0.940 183 E HN 0.561 nan 8.360 nan 0.000 0.473 184 G N 3.413 112.054 108.800 -0.266 0.000 2.195 184 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 184 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 184 G C -0.234 174.366 174.900 -0.500 0.000 0.990 184 G CA -0.071 44.794 45.100 -0.392 0.000 0.639 184 G HN 0.684 nan 8.290 nan 0.000 0.514 185 H N -0.083 118.960 119.070 -0.045 0.000 2.731 185 H HA 0.612 5.168 4.556 -0.000 0.000 0.368 185 H C -0.811 174.462 175.328 -0.092 0.000 1.168 185 H CA -0.619 55.396 56.048 -0.055 0.000 1.181 185 H CB 1.508 31.247 29.762 -0.038 0.000 1.743 185 H HN 0.065 nan 8.280 nan 0.000 0.547 186 D N 1.351 121.764 120.400 0.022 0.000 2.343 186 D HA -0.008 4.632 4.640 -0.000 0.000 0.255 186 D C 1.152 177.353 176.300 -0.166 0.000 1.187 186 D CA -0.190 53.760 54.000 -0.083 0.000 0.875 186 D CB 1.198 41.947 40.800 -0.085 0.000 1.136 186 D HN 0.432 nan 8.370 nan 0.000 0.469 187 V N 2.353 122.113 119.914 -0.258 0.000 2.951 187 V HA -0.074 4.046 4.120 -0.000 0.000 0.255 187 V C 2.030 177.793 176.094 -0.552 0.000 1.088 187 V CA 0.590 62.617 62.300 -0.454 0.000 1.109 187 V CB -0.491 31.035 31.823 -0.496 0.000 0.724 187 V HN 0.405 nan 8.190 nan 0.000 0.471 188 V N 1.074 120.795 119.914 -0.322 0.000 2.231 188 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 188 V C 0.582 176.518 176.094 -0.263 0.000 1.054 188 V CA 3.082 65.249 62.300 -0.221 0.000 1.015 188 V CB -2.038 29.712 31.823 -0.121 0.000 0.638 188 V HN 0.487 nan 8.190 nan 0.000 0.444 189 P HA -0.168 nan 4.420 nan 0.000 0.218 189 P C 1.938 179.061 177.300 -0.296 0.000 1.148 189 P CA 1.665 64.636 63.100 -0.215 0.000 0.822 189 P CB -0.130 31.469 31.700 -0.167 0.000 0.784 190 M N -1.484 117.839 119.600 -0.462 0.000 2.086 190 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 190 M C 2.092 177.962 176.300 -0.716 0.000 1.067 190 M CA 1.596 56.491 55.300 -0.675 0.000 1.116 190 M CB -0.901 31.037 32.600 -1.104 0.000 1.348 190 M HN -0.042 nan 8.290 nan 0.000 0.407 191 L N 0.235 120.976 121.223 -0.803 0.000 2.056 191 L HA -0.207 4.132 4.340 -0.000 0.000 0.207 191 L C 2.196 178.949 176.870 -0.196 0.000 1.078 191 L CA 2.014 56.622 54.840 -0.386 0.000 0.749 191 L CB -1.032 40.832 42.059 -0.325 0.000 0.901 191 L HN 0.316 nan 8.230 nan 0.000 0.433 192 Q N 0.742 120.417 119.800 -0.208 0.000 2.135 192 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 192 Q C 1.902 177.842 176.000 -0.100 0.000 0.981 192 Q CA 2.404 58.129 55.803 -0.130 0.000 0.856 192 Q CB -0.061 28.606 28.738 -0.119 0.000 0.902 192 Q HN 0.782 nan 8.270 nan 0.000 0.425 193 E N -1.064 119.068 120.200 -0.114 0.000 2.216 193 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 193 E C 1.737 178.314 176.600 -0.038 0.000 0.988 193 E CA 0.808 57.164 56.400 -0.073 0.000 0.834 193 E CB -0.289 29.366 29.700 -0.075 0.000 0.772 193 E HN 0.243 nan 8.360 nan 0.000 0.479 194 Q N 0.660 120.447 119.800 -0.022 0.000 2.083 194 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 194 Q C 2.351 178.354 176.000 0.005 0.000 0.969 194 Q CA 1.024 56.842 55.803 0.026 0.000 0.838 194 Q CB -0.249 28.551 28.738 0.104 0.000 0.900 194 Q HN 0.427 nan 8.270 nan 0.000 0.436 195 I N 1.233 121.794 120.570 -0.016 0.000 2.118 195 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 195 I C 2.142 178.245 176.117 -0.023 0.000 1.070 195 I CA 1.252 62.537 61.300 -0.026 0.000 1.327 195 I CB -0.267 37.708 38.000 -0.042 0.000 1.034 195 I HN 0.170 nan 8.210 nan 0.000 0.405 196 E N 0.790 120.973 120.200 -0.029 0.000 2.085 196 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 196 E C 2.004 178.593 176.600 -0.018 0.000 0.994 196 E CA 1.076 57.460 56.400 -0.026 0.000 0.801 196 E CB -0.413 29.267 29.700 -0.032 0.000 0.743 196 E HN 0.409 nan 8.360 nan 0.000 0.453 197 K N 0.395 120.788 120.400 -0.013 0.000 2.504 197 K HA -0.064 4.256 4.320 -0.000 0.000 0.195 197 K C 0.892 177.490 176.600 -0.003 0.000 1.036 197 K CA 0.331 56.615 56.287 -0.005 0.000 0.984 197 K CB 0.265 32.767 32.500 0.004 0.000 0.788 197 K HN 0.037 nan 8.250 nan 0.000 0.488 198 L N 0.571 121.791 121.223 -0.006 0.000 2.766 198 L HA 0.092 4.432 4.340 -0.000 0.000 0.242 198 L C 0.507 177.372 176.870 -0.008 0.000 1.136 198 L CA 0.448 55.284 54.840 -0.006 0.000 0.933 198 L CB -0.860 41.194 42.059 -0.009 0.000 1.241 198 L HN 0.322 nan 8.230 nan 0.000 0.522 199 N N 0.990 119.684 118.700 -0.011 0.000 2.741 199 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 199 N C 0.055 175.558 175.510 -0.012 0.000 1.115 199 N CA 0.063 53.106 53.050 -0.012 0.000 0.724 199 N CB -0.552 37.928 38.487 -0.010 0.000 1.090 199 N HN 0.280 nan 8.380 nan 0.000 0.558 200 I N 1.476 122.039 120.570 -0.011 0.000 2.529 200 I HA 0.180 4.349 4.170 -0.000 0.000 0.284 200 I C -1.446 174.659 176.117 -0.019 0.000 1.082 200 I CA -1.589 59.707 61.300 -0.007 0.000 1.406 200 I CB 0.679 38.680 38.000 0.002 0.000 1.405 200 I HN -0.016 nan 8.210 nan 0.000 0.548 201 P HA 0.293 nan 4.420 nan 0.000 0.226 201 P C -0.573 176.695 177.300 -0.055 0.000 1.783 201 P CA 0.440 63.510 63.100 -0.050 0.000 0.980 201 P CB -0.293 31.360 31.700 -0.078 0.000 1.967 202 I N 1.256 121.804 120.570 -0.036 0.000 2.619 202 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 202 I C -0.137 175.963 176.117 -0.028 0.000 1.100 202 I CA -0.819 60.464 61.300 -0.029 0.000 1.043 202 I CB 2.493 40.483 38.000 -0.018 0.000 1.239 202 I HN -0.112 nan 8.210 nan 0.000 0.420 203 N N 5.090 123.780 118.700 -0.017 0.000 2.564 203 N HA 0.314 5.053 4.740 -0.000 0.000 0.248 203 N C -1.107 174.401 175.510 -0.003 0.000 0.986 203 N CA -0.388 52.654 53.050 -0.013 0.000 0.921 203 N CB 1.429 39.915 38.487 -0.001 0.000 1.136 203 N HN 0.250 nan 8.380 nan 0.000 0.509 204 V N 4.078 123.981 119.914 -0.019 0.000 2.403 204 V HA 0.032 4.151 4.120 -0.000 0.000 0.265 204 V C 1.589 177.686 176.094 0.005 0.000 1.034 204 V CA -0.128 62.169 62.300 -0.004 0.000 1.036 204 V CB 0.348 32.157 31.823 -0.024 0.000 1.032 204 V HN 0.591 nan 8.190 nan 0.000 0.478 205 V N 1.737 121.667 119.914 0.026 0.000 3.661 205 V HA 0.751 4.871 4.120 -0.000 0.000 0.271 205 V C 0.656 176.762 176.094 0.019 0.000 1.315 205 V CA 0.612 62.922 62.300 0.016 0.000 1.072 205 V CB 0.203 32.040 31.823 0.024 0.000 0.830 205 V HN 0.866 nan 8.190 nan 0.000 0.443 206 A N 0.605 123.453 122.820 0.046 0.000 2.488 206 A HA 0.782 5.101 4.320 -0.000 0.000 0.295 206 A C -1.496 176.143 177.584 0.092 0.000 1.045 206 A CA -0.399 51.670 52.037 0.053 0.000 0.703 206 A CB 1.899 20.924 19.000 0.042 0.000 1.271 206 A HN 0.527 nan 8.150 nan 0.000 0.400 207 L N 4.123 125.383 121.223 0.063 0.000 2.325 207 L HA 0.891 5.231 4.340 -0.000 0.000 0.281 207 L C -0.759 176.135 176.870 0.040 0.000 1.004 207 L CA -0.744 54.121 54.840 0.043 0.000 0.823 207 L CB 1.015 43.052 42.059 -0.037 0.000 1.236 207 L HN 0.787 nan 8.230 nan 0.000 0.415 208 I N 1.652 122.245 120.570 0.040 0.000 3.108 208 I HA 0.555 4.725 4.170 -0.000 0.000 0.312 208 I C -1.149 174.982 176.117 0.024 0.000 1.095 208 I CA -0.808 60.511 61.300 0.031 0.000 1.000 208 I CB 2.005 40.018 38.000 0.022 0.000 1.229 208 I HN 0.598 nan 8.210 nan 0.000 0.454 209 N N 2.349 121.050 118.700 0.003 0.000 2.487 209 N HA 0.085 4.825 4.740 -0.000 0.000 0.292 209 N C 0.331 175.829 175.510 -0.019 0.000 1.108 209 N CA -0.118 52.925 53.050 -0.013 0.000 0.956 209 N CB 1.503 39.971 38.487 -0.031 0.000 1.176 209 N HN 0.915 nan 8.380 nan 0.000 0.484 210 D N 1.866 122.254 120.400 -0.020 0.000 2.178 210 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 210 D C 0.988 177.272 176.300 -0.027 0.000 0.980 210 D CA 1.411 55.402 54.000 -0.015 0.000 0.842 210 D CB -0.414 40.379 40.800 -0.012 0.000 0.948 210 D HN 0.522 nan 8.370 nan 0.000 0.472 211 T N 0.644 115.173 114.554 -0.042 0.000 2.821 211 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 211 T C 2.046 176.709 174.700 -0.062 0.000 1.046 211 T CA 1.972 64.041 62.100 -0.052 0.000 1.139 211 T CB -0.571 68.254 68.868 -0.072 0.000 0.871 211 T HN 0.269 nan 8.240 nan 0.000 0.454 212 T N 1.446 115.953 114.554 -0.077 0.000 2.720 212 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 212 T C 2.317 176.976 174.700 -0.069 0.000 1.037 212 T CA 1.362 63.401 62.100 -0.101 0.000 1.144 212 T CB -0.899 67.906 68.868 -0.105 0.000 0.864 212 T HN 0.531 nan 8.240 nan 0.000 0.444 213 G N 0.928 109.703 108.800 -0.041 0.000 2.422 213 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 213 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 213 G C 1.694 176.583 174.900 -0.018 0.000 1.140 213 G CA 1.304 46.387 45.100 -0.028 0.000 0.775 213 G HN 0.456 nan 8.290 nan 0.000 0.545 214 T N 1.115 115.660 114.554 -0.015 0.000 2.746 214 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 214 T C 2.246 176.957 174.700 0.019 0.000 1.039 214 T CA 1.202 63.303 62.100 0.000 0.000 1.142 214 T CB -0.235 68.628 68.868 -0.008 0.000 0.866 214 T HN 0.171 nan 8.240 nan 0.000 0.444 215 L N 1.358 122.585 121.223 0.007 0.000 1.989 215 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 215 L C 2.417 179.342 176.870 0.092 0.000 1.071 215 L CA 1.725 56.587 54.840 0.038 0.000 0.749 215 L CB -0.799 41.246 42.059 -0.024 0.000 0.890 215 L HN 0.072 nan 8.230 nan 0.000 0.431 216 V N 0.131 120.084 119.914 0.064 0.000 2.307 216 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 216 V C 2.818 178.992 176.094 0.133 0.000 1.045 216 V CA 1.576 63.950 62.300 0.123 0.000 1.024 216 V CB -1.327 30.538 31.823 0.069 0.000 0.651 216 V HN 0.630 nan 8.190 nan 0.000 0.449 217 A N -0.237 122.622 122.820 0.066 0.000 1.933 217 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 217 A C 2.459 180.144 177.584 0.169 0.000 1.175 217 A CA 2.342 54.417 52.037 0.064 0.000 0.628 217 A CB -0.615 18.366 19.000 -0.032 0.000 0.814 217 A HN 0.527 nan 8.150 nan 0.000 0.444 218 S N -0.653 115.130 115.700 0.139 0.000 2.387 218 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 218 S C 1.783 176.479 174.600 0.161 0.000 1.026 218 S CA 1.098 59.387 58.200 0.147 0.000 0.972 218 S CB -0.322 62.937 63.200 0.099 0.000 0.814 218 S HN 0.458 nan 8.310 nan 0.000 0.477 219 L N 1.031 122.358 121.223 0.173 0.000 2.083 219 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 219 L C 1.956 178.944 176.870 0.197 0.000 1.083 219 L CA 1.639 56.577 54.840 0.163 0.000 0.752 219 L CB -0.999 41.187 42.059 0.211 0.000 0.899 219 L HN 0.357 nan 8.230 nan 0.000 0.433 220 Y N 0.279 120.667 120.300 0.147 0.000 2.165 220 Y HA -0.292 4.258 4.550 -0.000 0.000 0.286 220 Y C 2.606 178.677 175.900 0.284 0.000 1.155 220 Y CA 2.658 60.871 58.100 0.189 0.000 1.164 220 Y CB -0.511 38.030 38.460 0.135 0.000 0.978 220 Y HN 0.430 nan 8.280 nan 0.000 0.513 221 T N -3.044 111.659 114.554 0.249 0.000 3.009 221 T HA 0.002 4.352 4.350 -0.000 0.000 0.258 221 T C 0.354 175.046 174.700 -0.013 0.000 1.063 221 T CA 0.684 62.874 62.100 0.150 0.000 1.139 221 T CB -0.092 68.950 68.868 0.290 0.000 0.890 221 T HN 0.255 nan 8.240 nan 0.000 0.471 222 D N 2.065 122.474 120.400 0.015 0.000 2.454 222 D HA 0.379 5.019 4.640 -0.000 0.000 0.247 222 D C -2.278 173.979 176.300 -0.072 0.000 1.129 222 D CA -2.747 51.231 54.000 -0.037 0.000 0.877 222 D CB 1.986 42.830 40.800 0.072 0.000 1.082 222 D HN -0.054 nan 8.370 nan 0.000 0.537 223 P HA -0.093 nan 4.420 nan 0.000 0.223 223 P C 0.837 178.030 177.300 -0.178 0.000 1.144 223 P CA 0.935 63.943 63.100 -0.154 0.000 0.783 223 P CB 0.280 31.869 31.700 -0.185 0.000 0.771 224 Q N -1.427 118.246 119.800 -0.211 0.000 2.444 224 Q HA 0.052 4.392 4.340 -0.000 0.000 0.206 224 Q C 0.105 175.970 176.000 -0.226 0.000 0.948 224 Q CA 0.322 55.932 55.803 -0.321 0.000 0.946 224 Q CB -0.372 27.978 28.738 -0.647 0.000 1.027 224 Q HN 0.183 nan 8.270 nan 0.000 0.513 225 T N 1.084 115.588 114.554 -0.083 0.000 2.853 225 T HA 0.067 4.417 4.350 -0.000 0.000 0.298 225 T C 0.679 175.347 174.700 -0.054 0.000 0.978 225 T CA 0.513 62.615 62.100 0.004 0.000 1.152 225 T CB 0.672 69.582 68.868 0.068 0.000 0.914 225 T HN 0.109 nan 8.240 nan 0.000 0.539 226 K N 2.197 122.559 120.400 -0.064 0.000 2.438 226 K HA 0.401 4.720 4.320 -0.000 0.000 0.206 226 K C 0.030 176.691 176.600 0.101 0.000 1.081 226 K CA -0.010 56.201 56.287 -0.126 0.000 1.053 226 K CB 0.672 32.837 32.500 -0.560 0.000 0.908 226 K HN 0.529 nan 8.250 nan 0.000 0.556 227 M N -0.435 119.234 119.600 0.113 0.000 2.562 227 M HA 0.351 4.831 4.480 -0.000 0.000 0.281 227 M C -1.782 174.572 176.300 0.089 0.000 1.195 227 M CA -0.714 54.675 55.300 0.149 0.000 0.888 227 M CB 2.079 34.766 32.600 0.145 0.000 1.731 227 M HN 0.079 nan 8.290 nan 0.000 0.493 228 G N 3.213 112.054 108.800 0.069 0.000 2.470 228 G HA2 0.728 4.688 3.960 -0.000 0.000 0.320 228 G HA3 0.728 4.688 3.960 -0.000 0.000 0.320 228 G C -2.017 172.890 174.900 0.013 0.000 1.245 228 G CA -0.536 44.577 45.100 0.023 0.000 0.935 228 G HN 0.803 nan 8.290 nan 0.000 0.476 229 I N 2.201 122.767 120.570 -0.007 0.000 2.619 229 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 229 I C -1.155 174.965 176.117 0.004 0.000 1.100 229 I CA -1.334 59.982 61.300 0.026 0.000 1.043 229 I CB 1.968 40.019 38.000 0.084 0.000 1.239 229 I HN 0.179 nan 8.210 nan 0.000 0.420 230 I N 8.271 128.866 120.570 0.042 0.000 2.378 230 I HA 0.387 4.556 4.170 -0.000 0.000 0.291 230 I C -0.565 175.603 176.117 0.086 0.000 0.992 230 I CA -0.465 60.860 61.300 0.042 0.000 1.154 230 I CB 1.399 39.415 38.000 0.026 0.000 1.315 230 I HN 0.438 nan 8.210 nan 0.000 0.448 231 I N 5.787 126.396 120.570 0.066 0.000 2.495 231 I HA 0.629 4.799 4.170 -0.000 0.000 0.277 231 I C 0.505 176.625 176.117 0.005 0.000 1.045 231 I CA 0.027 61.356 61.300 0.049 0.000 1.135 231 I CB 1.592 39.613 38.000 0.034 0.000 1.241 231 I HN 0.735 nan 8.210 nan 0.000 0.469 232 G N 2.594 111.405 108.800 0.018 0.000 3.111 232 G HA2 0.182 4.141 3.960 -0.000 0.000 0.158 232 G HA3 0.182 4.141 3.960 -0.000 0.000 0.158 232 G C 0.345 175.259 174.900 0.023 0.000 1.161 232 G CA 0.056 45.164 45.100 0.013 0.000 1.025 232 G HN 0.233 nan 8.290 nan 0.000 0.619 233 T N 0.518 115.078 114.554 0.011 0.000 2.777 233 T HA 0.205 4.555 4.350 -0.000 0.000 0.266 233 T C 1.252 175.939 174.700 -0.021 0.000 1.040 233 T CA 1.585 63.677 62.100 -0.012 0.000 1.141 233 T CB -0.464 68.365 68.868 -0.065 0.000 0.868 233 T HN 0.696 nan 8.240 nan 0.000 0.444 234 G N 0.518 109.311 108.800 -0.012 0.000 2.552 234 G HA2 0.580 4.539 3.960 -0.000 0.000 0.324 234 G HA3 0.580 4.539 3.960 -0.000 0.000 0.324 234 G C -1.049 173.893 174.900 0.069 0.000 1.217 234 G CA -0.535 44.582 45.100 0.028 0.000 0.989 234 G HN 0.393 nan 8.290 nan 0.000 0.490 235 V N -1.442 118.546 119.914 0.124 0.000 2.789 235 V HA 0.884 5.004 4.120 -0.000 0.000 0.311 235 V C -0.954 175.282 176.094 0.236 0.000 1.073 235 V CA -1.090 61.328 62.300 0.196 0.000 0.921 235 V CB 1.852 33.809 31.823 0.223 0.000 1.009 235 V HN 0.794 nan 8.190 nan 0.000 0.426 236 N N 1.180 119.984 118.700 0.173 0.000 2.823 236 N HA 0.823 5.563 4.740 -0.000 0.000 0.251 236 N C -0.711 174.633 175.510 -0.277 0.000 1.392 236 N CA 0.344 53.329 53.050 -0.108 0.000 0.864 236 N CB 2.419 40.852 38.487 -0.090 0.000 1.481 236 N HN 1.378 nan 8.380 nan 0.000 0.508 237 G N -0.676 107.712 108.800 -0.686 0.000 2.659 237 G HA2 0.856 4.816 3.960 -0.000 0.000 0.296 237 G HA3 0.856 4.816 3.960 -0.000 0.000 0.296 237 G C -1.768 173.005 174.900 -0.213 0.000 1.369 237 G CA -0.260 44.619 45.100 -0.369 0.000 0.937 237 G HN 0.640 nan 8.290 nan 0.000 0.485 238 A N 0.243 123.039 122.820 -0.040 0.000 2.515 238 A HA 0.993 5.313 4.320 -0.000 0.000 0.298 238 A C -1.159 176.491 177.584 0.110 0.000 1.059 238 A CA -0.748 51.278 52.037 -0.018 0.000 0.698 238 A CB 1.483 20.416 19.000 -0.112 0.000 1.289 238 A HN 2.143 nan 8.150 nan 0.000 0.404 239 Y N -1.650 118.587 120.300 -0.105 0.000 2.750 239 Y HA 0.703 5.253 4.550 -0.000 0.000 0.335 239 Y C -2.048 173.821 175.900 -0.050 0.000 1.252 239 Y CA -1.487 56.614 58.100 0.002 0.000 1.064 239 Y CB 0.802 39.327 38.460 0.108 0.000 1.321 239 Y HN 0.529 nan 8.280 nan 0.000 0.451 240 Y N 2.395 122.708 120.300 0.022 0.000 2.353 240 Y HA 0.316 4.866 4.550 -0.000 0.000 0.340 240 Y C 0.335 176.223 175.900 -0.020 0.000 0.972 240 Y CA -0.175 57.881 58.100 -0.074 0.000 1.157 240 Y CB 0.854 39.440 38.460 0.210 0.000 1.157 240 Y HN 0.673 nan 8.280 nan 0.000 0.495 241 D N 1.081 121.381 120.400 -0.166 0.000 2.496 241 D HA 0.399 5.039 4.640 -0.000 0.000 0.283 241 D C -1.111 175.231 176.300 0.069 0.000 1.214 241 D CA -0.184 53.848 54.000 0.053 0.000 1.089 241 D CB 1.908 42.695 40.800 -0.021 0.000 1.141 241 D HN 0.322 nan 8.370 nan 0.000 0.580 242 V N 0.867 120.809 119.914 0.046 0.000 2.656 242 V HA 0.156 4.276 4.120 -0.000 0.000 0.307 242 V C 1.188 177.279 176.094 -0.005 0.000 1.051 242 V CA -0.579 61.741 62.300 0.034 0.000 0.893 242 V CB 1.798 33.654 31.823 0.055 0.000 0.999 242 V HN 0.430 nan 8.190 nan 0.000 0.426 243 V N 4.592 124.495 119.914 -0.017 0.000 2.392 243 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 243 V C 2.460 178.545 176.094 -0.015 0.000 1.059 243 V CA 2.697 64.977 62.300 -0.032 0.000 1.051 243 V CB -0.423 31.388 31.823 -0.021 0.000 0.658 243 V HN 1.114 nan 8.190 nan 0.000 0.455 244 S N 0.507 116.207 115.700 -0.001 0.000 2.469 244 S HA -0.065 4.405 4.470 -0.000 0.000 0.238 244 S C 1.792 176.393 174.600 0.003 0.000 0.998 244 S CA 1.129 59.332 58.200 0.004 0.000 0.957 244 S CB -0.416 62.790 63.200 0.010 0.000 0.764 244 S HN 0.585 nan 8.310 nan 0.000 0.514 245 G N 0.791 109.592 108.800 0.003 0.000 3.042 245 G HA2 0.364 4.324 3.960 -0.000 0.000 0.212 245 G HA3 0.364 4.324 3.960 -0.000 0.000 0.212 245 G C 0.431 175.329 174.900 -0.003 0.000 1.166 245 G CA -0.346 44.757 45.100 0.006 0.000 0.767 245 G HN 0.600 nan 8.290 nan 0.000 0.546 246 I N 1.161 121.720 120.570 -0.019 0.000 2.395 246 I HA 0.263 4.433 4.170 -0.000 0.000 0.282 246 I C 0.542 176.647 176.117 -0.020 0.000 1.107 246 I CA -0.401 60.878 61.300 -0.034 0.000 1.210 246 I CB 1.284 39.237 38.000 -0.079 0.000 1.456 246 I HN -0.033 nan 8.210 nan 0.000 0.504 247 E N 3.741 123.936 120.200 -0.008 0.000 2.110 247 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 247 E C 1.980 178.581 176.600 0.002 0.000 0.988 247 E CA 1.086 57.486 56.400 -0.001 0.000 0.804 247 E CB -0.038 29.663 29.700 0.002 0.000 0.745 247 E HN 0.583 nan 8.360 nan 0.000 0.458 248 K N 0.930 121.329 120.400 -0.001 0.000 2.520 248 K HA -0.140 4.180 4.320 -0.000 0.000 0.197 248 K C 1.397 178.007 176.600 0.016 0.000 1.043 248 K CA 1.139 57.429 56.287 0.006 0.000 0.944 248 K CB -0.094 32.407 32.500 0.002 0.000 0.770 248 K HN 0.219 nan 8.250 nan 0.000 0.480 249 L N 1.037 122.266 121.223 0.010 0.000 2.616 249 L HA 0.157 4.497 4.340 -0.000 0.000 0.229 249 L C 0.238 177.133 176.870 0.042 0.000 1.110 249 L CA -0.234 54.627 54.840 0.035 0.000 0.884 249 L CB 0.127 42.195 42.059 0.014 0.000 1.115 249 L HN 0.186 nan 8.230 nan 0.000 0.481 250 E N 0.407 120.623 120.200 0.026 0.000 2.414 250 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 250 E C 1.078 177.695 176.600 0.028 0.000 1.000 250 E CA 0.742 57.157 56.400 0.025 0.000 0.914 250 E CB 0.506 30.216 29.700 0.016 0.000 0.948 250 E HN 0.301 nan 8.360 nan 0.000 0.444 251 G N 2.624 111.442 108.800 0.028 0.000 2.205 251 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 251 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 251 G C 0.680 175.599 174.900 0.031 0.000 0.980 251 G CA 0.325 45.441 45.100 0.025 0.000 0.632 251 G HN 0.508 nan 8.290 nan 0.000 0.533 252 L N -0.567 120.684 121.223 0.047 0.000 2.664 252 L HA 0.433 4.773 4.340 -0.000 0.000 0.233 252 L C 0.424 177.337 176.870 0.070 0.000 1.113 252 L CA -0.183 54.692 54.840 0.059 0.000 0.896 252 L CB 0.190 42.300 42.059 0.086 0.000 1.163 252 L HN 0.090 nan 8.230 nan 0.000 0.497 253 L N 1.146 122.414 121.223 0.075 0.000 2.325 253 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 253 L C -2.012 174.888 176.870 0.049 0.000 1.023 253 L CA -2.264 52.629 54.840 0.088 0.000 0.811 253 L CB 0.933 43.056 42.059 0.107 0.000 1.249 253 L HN -0.212 nan 8.230 nan 0.000 0.431 254 P HA 0.184 nan 4.420 nan 0.000 0.274 254 P C 0.086 177.402 177.300 0.027 0.000 1.246 254 P CA -0.338 62.775 63.100 0.021 0.000 0.795 254 P CB 0.997 32.701 31.700 0.007 0.000 1.006 255 E N 0.172 120.382 120.200 0.018 0.000 2.153 255 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 255 E C 1.053 177.665 176.600 0.019 0.000 0.988 255 E CA 1.330 57.741 56.400 0.018 0.000 0.811 255 E CB -0.196 29.511 29.700 0.012 0.000 0.746 255 E HN 0.589 nan 8.360 nan 0.000 0.466 256 D N 0.292 120.703 120.400 0.018 0.000 2.352 256 D HA -0.091 4.549 4.640 -0.000 0.000 0.232 256 D C 0.379 176.697 176.300 0.030 0.000 1.055 256 D CA 0.396 54.408 54.000 0.019 0.000 0.891 256 D CB -0.111 40.697 40.800 0.014 0.000 0.897 256 D HN 0.194 nan 8.370 nan 0.000 0.529 257 I N 0.878 121.473 120.570 0.042 0.000 2.833 257 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 257 I C 0.844 176.987 176.117 0.044 0.000 1.287 257 I CA -0.802 60.532 61.300 0.056 0.000 1.046 257 I CB 1.344 39.411 38.000 0.110 0.000 1.612 257 I HN -0.089 nan 8.210 nan 0.000 0.585 258 G N 3.300 112.116 108.800 0.028 0.000 2.588 258 G HA2 0.299 4.259 3.960 -0.000 0.000 0.281 258 G HA3 0.299 4.259 3.960 -0.000 0.000 0.281 258 G C -1.480 173.431 174.900 0.018 0.000 1.236 258 G CA -0.961 44.153 45.100 0.022 0.000 0.969 258 G HN 0.206 nan 8.290 nan 0.000 0.504 259 P HA -0.161 nan 4.420 nan 0.000 0.220 259 P C 0.918 178.226 177.300 0.013 0.000 1.155 259 P CA 1.399 64.507 63.100 0.013 0.000 0.880 259 P CB 0.222 31.930 31.700 0.014 0.000 0.790 260 D N -1.257 119.152 120.400 0.015 0.000 2.355 260 D HA -0.001 4.639 4.640 -0.000 0.000 0.218 260 D C 0.749 177.057 176.300 0.014 0.000 1.004 260 D CA 0.415 54.427 54.000 0.020 0.000 0.880 260 D CB -0.212 40.602 40.800 0.023 0.000 0.911 260 D HN 0.110 nan 8.370 nan 0.000 0.528 261 S N 1.470 117.171 115.700 0.002 0.000 2.549 261 S HA 0.114 4.584 4.470 -0.000 0.000 0.286 261 S C -2.444 172.134 174.600 -0.035 0.000 1.314 261 S CA -1.169 57.020 58.200 -0.019 0.000 1.062 261 S CB 0.869 64.064 63.200 -0.009 0.000 0.865 261 S HN -0.171 nan 8.310 nan 0.000 0.498 262 P HA 0.256 nan 4.420 nan 0.000 0.269 262 P C -0.799 176.484 177.300 -0.029 0.000 1.209 262 P CA -0.156 62.874 63.100 -0.115 0.000 0.776 262 P CB 0.418 31.769 31.700 -0.582 0.000 0.876 263 M N 2.690 122.307 119.600 0.029 0.000 2.182 263 M HA 0.546 5.026 4.480 -0.000 0.000 0.266 263 M C -1.264 174.885 176.300 -0.251 0.000 0.989 263 M CA -0.732 54.499 55.300 -0.116 0.000 1.003 263 M CB 1.209 33.678 32.600 -0.219 0.000 1.812 263 M HN 0.319 nan 8.290 nan 0.000 0.472 264 A N 5.488 128.056 122.820 -0.421 0.000 2.546 264 A HA 0.526 4.846 4.320 -0.000 0.000 0.243 264 A C -0.425 176.833 177.584 -0.544 0.000 1.063 264 A CA 0.075 51.679 52.037 -0.723 0.000 0.757 264 A CB -0.259 18.335 19.000 -0.676 0.000 0.991 264 A HN 0.754 nan 8.150 nan 0.000 0.503 265 I N 2.960 123.161 120.570 -0.615 0.000 2.362 265 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 265 I C 0.045 175.972 176.117 -0.317 0.000 0.994 265 I CA -0.664 60.351 61.300 -0.475 0.000 1.158 265 I CB 1.384 39.045 38.000 -0.565 0.000 1.315 265 I HN 0.753 nan 8.210 nan 0.000 0.451 266 N N 5.139 123.708 118.700 -0.218 0.000 2.439 266 N HA 0.103 4.843 4.740 -0.000 0.000 0.243 266 N C 0.804 176.254 175.510 -0.100 0.000 1.088 266 N CA -0.138 52.824 53.050 -0.147 0.000 0.940 266 N CB 0.671 39.087 38.487 -0.118 0.000 1.180 266 N HN 0.555 nan 8.380 nan 0.000 0.505 267 C N 1.804 121.047 119.300 -0.094 0.000 2.429 267 C HA -0.023 4.436 4.460 -0.000 0.000 0.277 267 C C 0.622 175.616 174.990 0.006 0.000 1.262 267 C CA 0.191 59.194 59.018 -0.024 0.000 1.733 267 C CB -0.985 26.714 27.740 -0.069 0.000 2.010 267 C HN 0.757 nan 8.230 nan 0.000 0.483 268 E N -0.085 120.077 120.200 -0.062 0.000 2.297 268 E HA -0.214 4.136 4.350 -0.000 0.000 0.228 268 E C -0.025 176.699 176.600 0.206 0.000 1.213 268 E CA 0.702 57.123 56.400 0.034 0.000 0.712 268 E CB -1.669 28.057 29.700 0.043 0.000 1.202 268 E HN 0.953 nan 8.360 nan 0.000 0.376 269 Y N -2.212 118.225 120.300 0.229 0.000 2.462 269 Y HA 0.475 5.024 4.550 -0.001 0.000 0.293 269 Y C 1.733 177.891 175.900 0.431 0.000 1.195 269 Y CA -0.337 57.947 58.100 0.308 0.000 1.276 269 Y CB -0.853 37.834 38.460 0.378 0.000 1.082 269 Y HN 0.009 nan 8.280 nan 0.000 0.514 270 G N 0.977 110.192 108.800 0.691 0.000 2.475 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 270 G C 1.588 176.721 174.900 0.388 0.000 1.125 270 G CA 1.297 46.705 45.100 0.513 0.000 0.755 270 G HN 0.547 nan 8.290 nan 0.000 0.565 271 S N -0.422 115.459 115.700 0.301 0.000 2.593 271 S HA 0.257 4.727 4.470 -0.000 0.000 0.217 271 S C 0.660 175.347 174.600 0.145 0.000 0.966 271 S CA -0.782 57.525 58.200 0.178 0.000 0.914 271 S CB -0.307 62.966 63.200 0.123 0.000 0.776 271 S HN 0.231 nan 8.310 nan 0.000 0.523 272 F N 3.799 123.751 119.950 0.003 0.000 2.608 272 F HA 0.219 4.746 4.527 -0.000 0.000 0.380 272 F C 0.801 176.495 175.800 -0.177 0.000 1.083 272 F CA 0.111 57.948 58.000 -0.272 0.000 1.266 272 F CB -0.322 38.141 39.000 -0.896 0.000 1.076 272 F HN 0.317 nan 8.300 nan 0.000 0.574 273 D N 3.502 123.373 120.400 -0.882 0.000 2.870 273 D HA -0.270 4.370 4.640 -0.000 0.000 0.228 273 D C 0.703 176.800 176.300 -0.339 0.000 1.147 273 D CA 0.976 54.536 54.000 -0.733 0.000 0.757 273 D CB -1.382 38.788 40.800 -1.051 0.000 1.091 273 D HN 0.685 nan 8.370 nan 0.000 0.429 274 N N 0.085 118.632 118.700 -0.255 0.000 2.348 274 N HA -0.136 4.603 4.740 -0.000 0.000 0.185 274 N C 1.380 176.566 175.510 -0.539 0.000 1.019 274 N CA 0.961 53.835 53.050 -0.293 0.000 0.880 274 N CB 0.049 38.435 38.487 -0.168 0.000 0.965 274 N HN 0.411 nan 8.380 nan 0.000 0.437 275 E N -0.156 119.827 120.200 -0.363 0.000 2.274 275 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 275 E C -0.281 176.156 176.600 -0.273 0.000 0.996 275 E CA 0.366 56.588 56.400 -0.296 0.000 0.840 275 E CB -0.380 29.231 29.700 -0.148 0.000 0.772 275 E HN 0.520 nan 8.360 nan 0.000 0.491 276 H N -1.883 117.104 119.070 -0.139 0.000 2.960 276 H HA -0.154 4.402 4.556 -0.000 0.000 0.325 276 H C 0.671 175.910 175.328 -0.147 0.000 1.301 276 H CA 0.272 56.237 56.048 -0.137 0.000 1.190 276 H CB -1.389 28.315 29.762 -0.097 0.000 1.462 276 H HN 0.049 nan 8.280 nan 0.000 0.442 277 L N -0.715 120.448 121.223 -0.100 0.000 2.500 277 L HA 0.212 4.552 4.340 -0.000 0.000 0.219 277 L C 1.524 178.274 176.870 -0.200 0.000 1.057 277 L CA 0.864 55.609 54.840 -0.158 0.000 0.854 277 L CB 0.859 42.788 42.059 -0.216 0.000 1.078 277 L HN 0.264 nan 8.230 nan 0.000 0.480 278 V N -1.152 118.625 119.914 -0.228 0.000 3.371 278 V HA 0.195 4.315 4.120 -0.000 0.000 0.246 278 V C 0.777 176.822 176.094 -0.082 0.000 1.303 278 V CA -0.298 61.890 62.300 -0.186 0.000 1.156 278 V CB 0.600 32.275 31.823 -0.247 0.000 0.929 278 V HN -0.012 nan 8.190 nan 0.000 0.459 279 L N 3.773 124.947 121.223 -0.081 0.000 2.453 279 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 279 L C -1.781 175.081 176.870 -0.013 0.000 1.182 279 L CA -1.017 53.825 54.840 0.004 0.000 0.858 279 L CB 0.314 42.392 42.059 0.032 0.000 1.120 279 L HN 0.134 nan 8.230 nan 0.000 0.474 280 P HA 0.141 nan 4.420 nan 0.000 0.225 280 P C -0.574 176.696 177.300 -0.049 0.000 1.813 280 P CA -0.316 62.770 63.100 -0.025 0.000 1.013 280 P CB -0.011 31.688 31.700 -0.003 0.000 1.961 281 R N 0.659 121.116 120.500 -0.071 0.000 2.694 281 R HA 0.346 4.686 4.340 -0.000 0.000 0.268 281 R C 1.343 177.561 176.300 -0.137 0.000 1.061 281 R CA 0.136 56.179 56.100 -0.094 0.000 1.133 281 R CB 0.116 30.334 30.300 -0.135 0.000 1.020 281 R HN 0.324 nan 8.270 nan 0.000 0.475 282 T N -2.521 111.945 114.554 -0.147 0.000 2.938 282 T HA 0.215 4.564 4.350 -0.000 0.000 0.285 282 T C 0.967 175.526 174.700 -0.236 0.000 1.028 282 T CA -1.064 60.902 62.100 -0.224 0.000 1.005 282 T CB 1.404 70.110 68.868 -0.269 0.000 1.157 282 T HN 0.690 nan 8.240 nan 0.000 0.550 283 K N -0.322 119.841 120.400 -0.395 0.000 2.211 283 K HA -0.160 4.159 4.320 -0.000 0.000 0.204 283 K C 1.359 177.740 176.600 -0.365 0.000 1.047 283 K CA 1.478 57.519 56.287 -0.411 0.000 0.935 283 K CB -0.708 31.493 32.500 -0.497 0.000 0.728 283 K HN 0.647 nan 8.250 nan 0.000 0.452 284 Y N 2.489 122.783 120.300 -0.011 0.000 2.220 284 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 284 Y C 2.001 177.910 175.900 0.015 0.000 1.129 284 Y CA 0.952 59.074 58.100 0.036 0.000 1.161 284 Y CB -0.467 38.070 38.460 0.129 0.000 0.997 284 Y HN 0.105 nan 8.280 nan 0.000 0.522 285 D N -0.086 120.389 120.400 0.125 0.000 2.144 285 D HA -0.140 4.499 4.640 -0.000 0.000 0.199 285 D C 2.303 178.572 176.300 -0.053 0.000 0.984 285 D CA 1.403 55.420 54.000 0.029 0.000 0.834 285 D CB -0.278 40.516 40.800 -0.009 0.000 0.955 285 D HN 0.214 nan 8.370 nan 0.000 0.465 286 V N 1.564 121.424 119.914 -0.090 0.000 2.295 286 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 286 V C 2.590 178.649 176.094 -0.059 0.000 1.049 286 V CA 1.166 63.393 62.300 -0.121 0.000 1.024 286 V CB -0.389 31.352 31.823 -0.137 0.000 0.648 286 V HN 0.139 nan 8.190 nan 0.000 0.447 287 I N -0.416 120.141 120.570 -0.021 0.000 2.163 287 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 287 I C 2.305 178.449 176.117 0.044 0.000 1.085 287 I CA 1.850 63.162 61.300 0.019 0.000 1.347 287 I CB -0.362 37.668 38.000 0.050 0.000 1.044 287 I HN 0.221 nan 8.210 nan 0.000 0.408 288 I N 0.580 121.183 120.570 0.055 0.000 2.118 288 I HA -0.375 3.795 4.170 -0.000 0.000 0.241 288 I C 2.310 178.479 176.117 0.087 0.000 1.070 288 I CA 1.950 63.306 61.300 0.093 0.000 1.327 288 I CB -0.478 37.570 38.000 0.079 0.000 1.034 288 I HN 0.313 nan 8.210 nan 0.000 0.405 289 D N 0.788 121.192 120.400 0.007 0.000 2.084 289 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 289 D C 2.092 178.420 176.300 0.046 0.000 0.990 289 D CA 1.605 55.608 54.000 0.005 0.000 0.826 289 D CB -0.018 40.742 40.800 -0.066 0.000 0.971 289 D HN 0.308 nan 8.370 nan 0.000 0.453 290 E N -0.178 120.040 120.200 0.030 0.000 2.110 290 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 290 E C 1.851 178.489 176.600 0.064 0.000 0.988 290 E CA 0.881 57.306 56.400 0.041 0.000 0.804 290 E CB -0.028 29.685 29.700 0.021 0.000 0.745 290 E HN 0.487 nan 8.360 nan 0.000 0.458 291 E N 0.742 120.993 120.200 0.086 0.000 2.478 291 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 291 E C 0.663 177.359 176.600 0.160 0.000 1.045 291 E CA -0.068 56.401 56.400 0.114 0.000 0.868 291 E CB 0.371 30.143 29.700 0.119 0.000 0.885 291 E HN 0.107 nan 8.360 nan 0.000 0.505 292 S N 0.919 116.720 115.700 0.168 0.000 2.606 292 S HA 0.081 4.550 4.470 -0.000 0.000 0.257 292 S C -1.731 172.944 174.600 0.126 0.000 1.327 292 S CA -1.104 57.210 58.200 0.191 0.000 0.984 292 S CB 0.710 64.027 63.200 0.194 0.000 0.941 292 S HN -0.223 nan 8.310 nan 0.000 0.576 293 P HA 0.073 nan 4.420 nan 0.000 0.219 293 P C 0.136 177.473 177.300 0.062 0.000 1.150 293 P CA 0.921 64.062 63.100 0.069 0.000 0.814 293 P CB 0.135 31.861 31.700 0.044 0.000 0.787 294 R N -0.807 119.734 120.500 0.069 0.000 2.860 294 R HA 0.354 4.693 4.340 -0.000 0.000 0.282 294 R C -2.637 173.703 176.300 0.066 0.000 1.408 294 R CA -2.920 53.215 56.100 0.059 0.000 1.636 294 R CB -0.754 29.577 30.300 0.053 0.000 1.187 294 R HN 0.163 nan 8.270 nan 0.000 0.611 295 P HA 0.096 nan 4.420 nan 0.000 0.265 295 P C 0.881 178.231 177.300 0.084 0.000 1.193 295 P CA 0.639 63.786 63.100 0.077 0.000 0.765 295 P CB 0.761 32.501 31.700 0.067 0.000 0.823 296 G N 0.719 109.604 108.800 0.142 0.000 2.179 296 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 296 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 296 G C 0.052 174.963 174.900 0.018 0.000 0.977 296 G CA -0.214 44.953 45.100 0.112 0.000 0.641 296 G HN 0.565 nan 8.290 nan 0.000 0.533 297 Q N -0.343 119.490 119.800 0.055 0.000 2.248 297 Q HA 0.548 4.888 4.340 -0.000 0.000 0.263 297 Q C 0.495 176.534 176.000 0.066 0.000 1.007 297 Q CA -0.674 55.153 55.803 0.041 0.000 0.877 297 Q CB 0.847 29.610 28.738 0.041 0.000 1.315 297 Q HN 0.347 nan 8.270 nan 0.000 0.454 298 Q N -0.460 119.383 119.800 0.072 0.000 2.435 298 Q HA -0.258 4.082 4.340 -0.000 0.000 0.312 298 Q C 0.571 176.630 176.000 0.098 0.000 1.333 298 Q CA 0.824 56.689 55.803 0.104 0.000 0.883 298 Q CB -1.838 26.964 28.738 0.106 0.000 1.170 298 Q HN 0.852 nan 8.270 nan 0.000 0.443 299 A N -0.264 122.618 122.820 0.103 0.000 1.933 299 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 299 A C 1.518 179.182 177.584 0.134 0.000 1.175 299 A CA 1.444 53.545 52.037 0.107 0.000 0.628 299 A CB -0.404 18.676 19.000 0.134 0.000 0.814 299 A HN 0.452 nan 8.150 nan 0.000 0.444 300 F N 0.680 120.645 119.950 0.025 0.000 2.206 300 F HA -0.025 4.501 4.527 -0.000 0.000 0.298 300 F C 2.090 177.961 175.800 0.118 0.000 1.090 300 F CA 1.633 59.684 58.000 0.085 0.000 1.323 300 F CB -0.337 38.761 39.000 0.164 0.000 1.028 300 F HN 0.438 nan 8.300 nan 0.000 0.492 301 E N 0.299 120.547 120.200 0.080 0.000 2.110 301 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 301 E C 2.039 178.653 176.600 0.024 0.000 0.988 301 E CA 1.369 57.791 56.400 0.037 0.000 0.804 301 E CB -0.096 29.699 29.700 0.159 0.000 0.745 301 E HN 0.383 nan 8.360 nan 0.000 0.458 302 K N -0.476 119.864 120.400 -0.100 0.000 2.283 302 K HA -0.042 4.277 4.320 -0.000 0.000 0.202 302 K C 1.705 178.162 176.600 -0.238 0.000 1.048 302 K CA 0.917 56.925 56.287 -0.465 0.000 0.948 302 K CB 0.125 32.310 32.500 -0.523 0.000 0.742 302 K HN 0.241 nan 8.250 nan 0.000 0.458 303 M N -0.160 119.379 119.600 -0.102 0.000 2.502 303 M HA 0.022 4.502 4.480 -0.000 0.000 0.243 303 M C 1.415 177.689 176.300 -0.043 0.000 1.130 303 M CA 0.995 56.276 55.300 -0.033 0.000 1.055 303 M CB 0.310 32.925 32.600 0.024 0.000 1.457 303 M HN 0.183 nan 8.290 nan 0.000 0.488 304 T N -4.814 109.669 114.554 -0.119 0.000 2.993 304 T HA 0.130 4.479 4.350 -0.000 0.000 0.260 304 T C 0.859 175.559 174.700 0.001 0.000 0.939 304 T CA -0.057 61.972 62.100 -0.119 0.000 0.886 304 T CB 0.210 68.848 68.868 -0.383 0.000 1.209 304 T HN 0.136 nan 8.240 nan 0.000 0.518 305 S N 0.775 116.535 115.700 0.100 0.000 2.568 305 S HA 0.452 4.921 4.470 -0.000 0.000 0.282 305 S C 1.736 176.429 174.600 0.156 0.000 1.338 305 S CA 0.150 58.449 58.200 0.166 0.000 1.045 305 S CB 0.586 63.965 63.200 0.298 0.000 0.873 305 S HN 0.515 nan 8.310 nan 0.000 0.516 306 G N 2.657 111.499 108.800 0.071 0.000 2.534 306 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 306 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 306 G C 1.011 175.950 174.900 0.064 0.000 1.128 306 G CA 0.501 45.629 45.100 0.046 0.000 0.784 306 G HN 0.890 nan 8.290 nan 0.000 0.542 307 Y N 0.645 120.868 120.300 -0.128 0.000 2.256 307 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 307 Y C 1.878 177.606 175.900 -0.288 0.000 1.155 307 Y CA 1.387 59.297 58.100 -0.317 0.000 1.203 307 Y CB -0.006 38.089 38.460 -0.609 0.000 0.980 307 Y HN 0.342 nan 8.280 nan 0.000 0.530 308 Y N -1.557 118.824 120.300 0.135 0.000 2.462 308 Y HA 0.083 4.633 4.550 -0.000 0.000 0.261 308 Y C 1.931 177.843 175.900 0.021 0.000 1.146 308 Y CA -0.067 58.101 58.100 0.114 0.000 1.283 308 Y CB -0.085 38.483 38.460 0.180 0.000 1.090 308 Y HN 0.005 nan 8.280 nan 0.000 0.526 309 L N -0.573 120.720 121.223 0.118 0.000 2.046 309 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 309 L C 2.552 179.436 176.870 0.023 0.000 1.077 309 L CA 1.609 56.487 54.840 0.064 0.000 0.747 309 L CB -0.921 41.167 42.059 0.049 0.000 0.896 309 L HN 0.370 nan 8.230 nan 0.000 0.432 310 G N -0.531 108.269 108.800 0.000 0.000 2.421 310 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 310 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 310 G C 1.464 176.274 174.900 -0.150 0.000 1.143 310 G CA 0.633 45.697 45.100 -0.061 0.000 0.784 310 G HN 0.312 nan 8.290 nan 0.000 0.541 311 E N 0.774 120.868 120.200 -0.176 0.000 2.077 311 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 311 E C 2.396 178.912 176.600 -0.140 0.000 0.989 311 E CA 0.755 56.989 56.400 -0.275 0.000 0.800 311 E CB -0.361 29.054 29.700 -0.475 0.000 0.746 311 E HN 0.491 nan 8.360 nan 0.000 0.452 312 I N 0.082 120.626 120.570 -0.043 0.000 2.118 312 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 312 I C 2.573 178.607 176.117 -0.137 0.000 1.070 312 I CA 1.585 62.873 61.300 -0.020 0.000 1.327 312 I CB -0.368 37.644 38.000 0.020 0.000 1.034 312 I HN 0.250 nan 8.210 nan 0.000 0.405 313 M N -0.368 119.150 119.600 -0.137 0.000 2.080 313 M HA -0.260 4.220 4.480 -0.000 0.000 0.260 313 M C 2.550 178.800 176.300 -0.084 0.000 1.068 313 M CA 1.756 56.984 55.300 -0.120 0.000 1.109 313 M CB -0.596 31.982 32.600 -0.036 0.000 1.342 313 M HN 0.187 nan 8.290 nan 0.000 0.405 314 R N 0.905 121.343 120.500 -0.104 0.000 2.091 314 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 314 R C 1.973 178.244 176.300 -0.050 0.000 1.136 314 R CA 1.480 57.528 56.100 -0.086 0.000 0.959 314 R CB -0.284 29.911 30.300 -0.174 0.000 0.856 314 R HN 0.366 nan 8.270 nan 0.000 0.437 315 L N -0.071 121.105 121.223 -0.078 0.000 2.109 315 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 315 L C 2.391 179.199 176.870 -0.102 0.000 1.086 315 L CA 0.664 55.497 54.840 -0.012 0.000 0.760 315 L CB -0.186 41.928 42.059 0.093 0.000 0.910 315 L HN 0.073 nan 8.230 nan 0.000 0.437 316 V N 0.066 119.748 119.914 -0.388 0.000 2.358 316 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 316 V C 2.332 178.358 176.094 -0.112 0.000 1.047 316 V CA 1.565 63.565 62.300 -0.501 0.000 1.035 316 V CB -0.319 31.208 31.823 -0.492 0.000 0.658 316 V HN 0.342 nan 8.190 nan 0.000 0.452 317 L N -1.107 120.099 121.223 -0.028 0.000 2.093 317 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 317 L C 2.406 179.369 176.870 0.154 0.000 1.085 317 L CA 0.913 55.799 54.840 0.078 0.000 0.755 317 L CB -0.502 41.699 42.059 0.238 0.000 0.904 317 L HN 0.300 nan 8.230 nan 0.000 0.435 318 L N 0.293 121.609 121.223 0.155 0.000 2.017 318 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 318 L C 2.216 179.225 176.870 0.232 0.000 1.073 318 L CA 1.904 56.865 54.840 0.203 0.000 0.745 318 L CB -0.642 41.500 42.059 0.138 0.000 0.894 318 L HN 0.245 nan 8.230 nan 0.000 0.432 319 D N -0.990 119.530 120.400 0.200 0.000 2.182 319 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 319 D C 2.199 178.622 176.300 0.204 0.000 0.986 319 D CA 1.334 55.468 54.000 0.224 0.000 0.847 319 D CB -0.002 41.003 40.800 0.342 0.000 0.942 319 D HN 0.374 nan 8.370 nan 0.000 0.467 320 L N -0.850 120.478 121.223 0.174 0.000 2.131 320 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 320 L C 2.268 179.236 176.870 0.163 0.000 1.087 320 L CA 0.619 55.572 54.840 0.189 0.000 0.767 320 L CB -0.508 41.586 42.059 0.058 0.000 0.917 320 L HN 0.098 nan 8.230 nan 0.000 0.441 321 Y N 1.360 121.674 120.300 0.024 0.000 2.070 321 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 321 Y C 2.289 178.212 175.900 0.038 0.000 1.148 321 Y CA 1.901 60.022 58.100 0.035 0.000 1.125 321 Y CB -0.306 38.233 38.460 0.133 0.000 0.975 321 Y HN 0.180 nan 8.280 nan 0.000 0.492 322 D N -0.618 119.811 120.400 0.049 0.000 2.190 322 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 322 D C 2.108 178.333 176.300 -0.126 0.000 0.992 322 D CA 1.704 55.675 54.000 -0.048 0.000 0.854 322 D CB -0.398 40.458 40.800 0.094 0.000 0.936 322 D HN 0.371 nan 8.370 nan 0.000 0.462 323 S N -1.318 114.339 115.700 -0.071 0.000 2.577 323 S HA 0.298 4.767 4.470 -0.000 0.000 0.219 323 S C 1.418 175.749 174.600 -0.448 0.000 0.962 323 S CA 0.848 58.976 58.200 -0.119 0.000 0.921 323 S CB 0.147 63.413 63.200 0.110 0.000 0.789 323 S HN 0.321 nan 8.310 nan 0.000 0.497 324 G N 0.288 108.829 108.800 -0.431 0.000 2.175 324 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 324 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 324 G C 0.353 174.971 174.900 -0.471 0.000 0.982 324 G CA 0.341 45.145 45.100 -0.493 0.000 0.641 324 G HN 0.546 nan 8.290 nan 0.000 0.527 325 F N 0.827 120.706 119.950 -0.120 0.000 2.270 325 F HA 0.410 4.936 4.527 -0.000 0.000 0.295 325 F C 1.767 177.484 175.800 -0.139 0.000 1.087 325 F CA 1.160 59.094 58.000 -0.110 0.000 1.365 325 F CB 0.056 38.995 39.000 -0.101 0.000 1.056 325 F HN 0.470 nan 8.300 nan 0.000 0.506 326 I N -6.490 114.064 120.570 -0.026 0.000 3.174 326 I HA 0.427 4.597 4.170 -0.000 0.000 0.313 326 I C -0.634 175.461 176.117 -0.037 0.000 1.155 326 I CA -1.395 59.778 61.300 -0.211 0.000 0.977 326 I CB 1.599 39.186 38.000 -0.689 0.000 1.248 326 I HN -0.130 nan 8.210 nan 0.000 0.453 327 F N -0.049 120.003 119.950 0.169 0.000 3.067 327 F HA -0.198 4.328 4.527 -0.001 0.000 0.279 327 F C 0.276 176.236 175.800 0.267 0.000 0.945 327 F CA 0.080 58.197 58.000 0.196 0.000 0.948 327 F CB -2.441 36.671 39.000 0.187 0.000 0.898 327 F HN 0.557 nan 8.300 nan 0.000 0.746 328 K N 1.029 121.602 120.400 0.289 0.000 2.402 328 K HA 0.198 4.518 4.320 -0.000 0.000 0.285 328 K C 0.704 177.413 176.600 0.183 0.000 1.054 328 K CA 0.144 56.541 56.287 0.183 0.000 1.001 328 K CB 0.159 32.698 32.500 0.064 0.000 0.946 328 K HN 0.177 nan 8.250 nan 0.000 0.473 329 D N 1.999 122.518 120.400 0.198 0.000 2.835 329 D HA -0.153 4.487 4.640 -0.000 0.000 0.230 329 D C -0.610 175.770 176.300 0.134 0.000 1.130 329 D CA 1.078 55.163 54.000 0.142 0.000 0.738 329 D CB -0.454 40.398 40.800 0.086 0.000 1.090 329 D HN 0.439 nan 8.370 nan 0.000 0.433 330 Q N 0.040 119.946 119.800 0.177 0.000 2.248 330 Q HA 0.353 4.693 4.340 -0.000 0.000 0.263 330 Q C -0.188 175.829 176.000 0.028 0.000 1.007 330 Q CA -0.445 55.410 55.803 0.086 0.000 0.877 330 Q CB 1.279 30.061 28.738 0.074 0.000 1.315 330 Q HN 0.081 nan 8.270 nan 0.000 0.454 331 D N 1.875 122.259 120.400 -0.027 0.000 2.441 331 D HA 0.163 4.803 4.640 -0.000 0.000 0.221 331 D C 0.359 176.585 176.300 -0.123 0.000 1.156 331 D CA -0.362 53.605 54.000 -0.055 0.000 0.896 331 D CB 0.055 40.834 40.800 -0.035 0.000 1.028 331 D HN 0.440 nan 8.370 nan 0.000 0.509 332 I N 0.787 121.242 120.570 -0.192 0.000 3.858 332 I HA 0.128 4.298 4.170 -0.000 0.000 0.325 332 I C 1.595 177.604 176.117 -0.179 0.000 1.403 332 I CA -0.332 60.815 61.300 -0.256 0.000 1.169 332 I CB -0.308 37.406 38.000 -0.476 0.000 1.077 332 I HN 0.110 nan 8.210 nan 0.000 0.403 333 S N 1.540 117.170 115.700 -0.118 0.000 2.359 333 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 333 S C 1.816 176.367 174.600 -0.082 0.000 1.035 333 S CA 1.129 59.281 58.200 -0.079 0.000 1.018 333 S CB -0.643 62.528 63.200 -0.050 0.000 0.876 333 S HN 0.588 nan 8.310 nan 0.000 0.448 334 K N 0.725 121.070 120.400 -0.091 0.000 2.211 334 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 334 K C 1.921 178.450 176.600 -0.118 0.000 1.047 334 K CA 0.969 57.199 56.287 -0.096 0.000 0.935 334 K CB -0.533 31.908 32.500 -0.099 0.000 0.728 334 K HN 0.283 nan 8.250 nan 0.000 0.452 335 L N 1.683 122.828 121.223 -0.130 0.000 2.456 335 L HA -0.093 4.246 4.340 -0.000 0.000 0.224 335 L C 1.550 178.363 176.870 -0.094 0.000 1.148 335 L CA 1.559 56.325 54.840 -0.124 0.000 0.825 335 L CB -0.121 41.881 42.059 -0.096 0.000 0.937 335 L HN -0.008 nan 8.230 nan 0.000 0.450 336 K N -0.409 119.945 120.400 -0.077 0.000 2.418 336 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 336 K C 0.081 176.652 176.600 -0.048 0.000 1.035 336 K CA 0.098 56.356 56.287 -0.048 0.000 1.003 336 K CB 0.106 32.588 32.500 -0.030 0.000 0.793 336 K HN 0.371 nan 8.250 nan 0.000 0.494 337 E N 1.367 121.528 120.200 -0.065 0.000 2.257 337 E HA 0.170 4.520 4.350 -0.000 0.000 0.278 337 E C -0.625 175.932 176.600 -0.073 0.000 1.049 337 E CA -0.499 55.871 56.400 -0.050 0.000 0.876 337 E CB 1.038 30.709 29.700 -0.048 0.000 1.035 337 E HN 0.155 nan 8.360 nan 0.000 0.419 338 A N 3.461 126.259 122.820 -0.037 0.000 2.511 338 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 338 A C -0.391 177.184 177.584 -0.014 0.000 1.069 338 A CA -0.019 51.969 52.037 -0.081 0.000 0.763 338 A CB -0.343 18.680 19.000 0.039 0.000 1.001 338 A HN 0.838 nan 8.150 nan 0.000 0.498 339 Y N -0.272 119.965 120.300 -0.105 0.000 4.604 339 Y HA -0.245 4.304 4.550 -0.000 0.000 0.230 339 Y C 1.572 177.355 175.900 -0.195 0.000 1.066 339 Y CA 0.922 58.914 58.100 -0.180 0.000 1.990 339 Y CB -2.169 36.189 38.460 -0.171 0.000 1.619 339 Y HN 0.477 nan 8.280 nan 0.000 0.649 340 V N 0.274 120.102 119.914 -0.143 0.000 2.490 340 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 340 V C 1.290 177.150 176.094 -0.390 0.000 1.061 340 V CA 2.207 64.388 62.300 -0.199 0.000 1.064 340 V CB -0.133 31.564 31.823 -0.211 0.000 0.670 340 V HN 0.324 nan 8.190 nan 0.000 0.461 341 M N 2.116 121.389 119.600 -0.545 0.000 2.111 341 M HA 0.279 4.759 4.480 -0.000 0.000 0.351 341 M C -0.172 175.918 176.300 -0.350 0.000 1.214 341 M CA -0.475 54.292 55.300 -0.888 0.000 1.120 341 M CB 0.739 32.769 32.600 -0.949 0.000 1.443 341 M HN 0.384 nan 8.290 nan 0.000 0.429 342 D N 1.011 121.344 120.400 -0.112 0.000 2.425 342 D HA 0.055 4.695 4.640 -0.000 0.000 0.274 342 D C 0.926 177.273 176.300 0.079 0.000 1.242 342 D CA -0.396 53.593 54.000 -0.018 0.000 1.060 342 D CB 0.194 41.017 40.800 0.037 0.000 1.112 342 D HN 0.357 nan 8.370 nan 0.000 0.561 343 T N -1.420 113.177 114.554 0.071 0.000 2.881 343 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 343 T C 1.808 176.607 174.700 0.165 0.000 1.068 343 T CA 1.996 64.175 62.100 0.131 0.000 1.131 343 T CB -0.662 68.283 68.868 0.129 0.000 0.871 343 T HN 0.515 nan 8.240 nan 0.000 0.479 344 S N -0.318 115.461 115.700 0.132 0.000 2.442 344 S HA -0.108 4.361 4.470 -0.000 0.000 0.236 344 S C 1.609 176.217 174.600 0.012 0.000 1.007 344 S CA 0.705 58.931 58.200 0.043 0.000 0.965 344 S CB -0.708 62.484 63.200 -0.013 0.000 0.773 344 S HN 0.603 nan 8.310 nan 0.000 0.504 345 Y N 3.047 123.337 120.300 -0.017 0.000 2.060 345 Y HA 0.047 4.597 4.550 0.000 0.000 0.276 345 Y C -0.174 175.747 175.900 0.036 0.000 1.127 345 Y CA 1.201 59.295 58.100 -0.010 0.000 1.104 345 Y CB -1.795 36.636 38.460 -0.048 0.000 0.983 345 Y HN 0.271 nan 8.280 nan 0.000 0.483 346 P HA -0.149 nan 4.420 nan 0.000 0.220 346 P C 1.721 179.057 177.300 0.060 0.000 1.148 346 P CA 1.901 65.117 63.100 0.194 0.000 0.803 346 P CB 0.031 31.895 31.700 0.274 0.000 0.782 347 S N 0.062 115.747 115.700 -0.025 0.000 2.345 347 S HA -0.118 4.352 4.470 -0.000 0.000 0.220 347 S C 1.935 176.415 174.600 -0.200 0.000 1.031 347 S CA 1.301 59.316 58.200 -0.307 0.000 0.996 347 S CB -0.548 62.505 63.200 -0.245 0.000 0.882 347 S HN 0.077 nan 8.310 nan 0.000 0.445 348 K N 0.371 120.700 120.400 -0.119 0.000 2.097 348 K HA -0.008 4.311 4.320 -0.000 0.000 0.206 348 K C 1.998 178.564 176.600 -0.056 0.000 1.049 348 K CA 1.518 57.744 56.287 -0.101 0.000 0.933 348 K CB -0.309 32.114 32.500 -0.128 0.000 0.717 348 K HN 0.430 nan 8.250 nan 0.000 0.442 349 I N 1.171 121.734 120.570 -0.013 0.000 2.252 349 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 349 I C 2.210 178.323 176.117 -0.007 0.000 1.102 349 I CA 1.289 62.608 61.300 0.032 0.000 1.385 349 I CB -0.125 37.937 38.000 0.104 0.000 1.064 349 I HN 0.180 nan 8.210 nan 0.000 0.414 350 E N 0.279 120.453 120.200 -0.043 0.000 2.208 350 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 350 E C 1.279 177.827 176.600 -0.086 0.000 0.988 350 E CA 1.045 57.411 56.400 -0.057 0.000 0.828 350 E CB -0.025 29.625 29.700 -0.083 0.000 0.763 350 E HN 0.415 nan 8.360 nan 0.000 0.478 351 D N 0.859 121.190 120.400 -0.114 0.000 2.277 351 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 351 D C 0.248 176.478 176.300 -0.118 0.000 0.962 351 D CA 0.268 54.196 54.000 -0.121 0.000 0.865 351 D CB 0.033 40.755 40.800 -0.130 0.000 0.939 351 D HN -0.058 nan 8.370 nan 0.000 0.510 352 D N 0.049 120.399 120.400 -0.084 0.000 2.570 352 D HA -0.073 4.567 4.640 -0.000 0.000 0.243 352 D C -1.635 174.553 176.300 -0.187 0.000 1.171 352 D CA -0.776 53.175 54.000 -0.081 0.000 0.879 352 D CB 1.261 42.067 40.800 0.011 0.000 1.143 352 D HN 0.163 nan 8.370 nan 0.000 0.511 353 P HA 0.081 nan 4.420 nan 0.000 0.257 353 P C -0.044 176.947 177.300 -0.515 0.000 1.241 353 P CA -0.064 62.724 63.100 -0.519 0.000 0.816 353 P CB 0.119 31.409 31.700 -0.684 0.000 1.150 354 F N 0.868 120.809 119.950 -0.015 0.000 2.394 354 F HA 0.205 4.732 4.527 -0.001 0.000 0.340 354 F C 1.882 177.675 175.800 -0.012 0.000 1.105 354 F CA -0.763 57.230 58.000 -0.012 0.000 1.124 354 F CB 0.899 39.892 39.000 -0.012 0.000 1.145 354 F HN -0.297 nan 8.300 nan 0.000 0.505 355 E N 1.525 121.829 120.200 0.174 0.000 2.110 355 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 355 E C 1.513 178.165 176.600 0.086 0.000 0.988 355 E CA 1.180 57.635 56.400 0.092 0.000 0.804 355 E CB -0.377 29.364 29.700 0.068 0.000 0.745 355 E HN 0.621 nan 8.360 nan 0.000 0.458 356 N N 0.944 119.708 118.700 0.107 0.000 2.398 356 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 356 N C 0.622 176.174 175.510 0.070 0.000 1.122 356 N CA 0.018 53.103 53.050 0.060 0.000 0.866 356 N CB -0.319 38.179 38.487 0.018 0.000 0.970 356 N HN 0.106 nan 8.380 nan 0.000 0.462 357 L N -0.061 121.242 121.223 0.133 0.000 3.597 357 L HA -0.193 4.146 4.340 -0.000 0.000 0.440 357 L C 1.355 178.294 176.870 0.116 0.000 1.277 357 L CA 0.362 55.277 54.840 0.125 0.000 0.852 357 L CB -1.025 41.067 42.059 0.054 0.000 1.708 357 L HN 0.269 nan 8.230 nan 0.000 0.885 358 E N 0.312 120.594 120.200 0.136 0.000 2.150 358 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 358 E C 1.266 177.911 176.600 0.075 0.000 0.985 358 E CA 1.706 58.122 56.400 0.026 0.000 0.814 358 E CB 0.236 29.828 29.700 -0.182 0.000 0.752 358 E HN 0.610 nan 8.360 nan 0.000 0.466 359 D N -0.445 120.066 120.400 0.185 0.000 2.117 359 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 359 D C 1.841 178.195 176.300 0.091 0.000 0.987 359 D CA 1.550 55.630 54.000 0.132 0.000 0.829 359 D CB -0.462 40.420 40.800 0.137 0.000 0.961 359 D HN 0.155 nan 8.370 nan 0.000 0.460 360 T N 0.413 115.030 114.554 0.105 0.000 2.746 360 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 360 T C 1.492 176.288 174.700 0.161 0.000 1.039 360 T CA 1.417 63.598 62.100 0.135 0.000 1.142 360 T CB -0.308 68.610 68.868 0.083 0.000 0.866 360 T HN 0.097 nan 8.240 nan 0.000 0.444 361 D N 1.126 121.576 120.400 0.084 0.000 2.104 361 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 361 D C 1.930 178.285 176.300 0.091 0.000 0.994 361 D CA 1.277 55.318 54.000 0.067 0.000 0.830 361 D CB -0.424 40.390 40.800 0.024 0.000 0.959 361 D HN 0.281 nan 8.370 nan 0.000 0.452 362 D N -0.689 119.747 120.400 0.060 0.000 2.144 362 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 362 D C 2.296 178.614 176.300 0.030 0.000 0.978 362 D CA 0.455 54.474 54.000 0.030 0.000 0.833 362 D CB -0.276 40.528 40.800 0.006 0.000 0.961 362 D HN 0.258 nan 8.370 nan 0.000 0.470 363 L N -0.652 120.596 121.223 0.042 0.000 1.989 363 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 363 L C 1.998 178.865 176.870 -0.005 0.000 1.071 363 L CA 1.350 56.166 54.840 -0.040 0.000 0.749 363 L CB -0.363 41.643 42.059 -0.088 0.000 0.890 363 L HN 0.056 nan 8.230 nan 0.000 0.431 364 F N 0.535 120.471 119.950 -0.022 0.000 2.134 364 F HA -0.210 4.316 4.527 -0.001 0.000 0.299 364 F C 2.579 178.344 175.800 -0.058 0.000 1.097 364 F CA 1.537 59.523 58.000 -0.024 0.000 1.264 364 F CB -0.353 38.614 39.000 -0.054 0.000 1.001 364 F HN 0.007 nan 8.300 nan 0.000 0.479 365 K N -0.477 119.990 120.400 0.112 0.000 2.025 365 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 365 K C 2.190 178.790 176.600 0.000 0.000 1.049 365 K CA 1.957 58.265 56.287 0.035 0.000 0.933 365 K CB -0.642 31.873 32.500 0.024 0.000 0.714 365 K HN 0.364 nan 8.250 nan 0.000 0.438 366 T N -0.367 114.183 114.554 -0.007 0.000 2.812 366 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 366 T C 1.636 176.316 174.700 -0.034 0.000 1.042 366 T CA 1.047 63.133 62.100 -0.024 0.000 1.140 366 T CB -0.114 68.736 68.868 -0.030 0.000 0.870 366 T HN 0.010 nan 8.240 nan 0.000 0.445 367 N N 1.010 119.683 118.700 -0.045 0.000 2.402 367 N HA 0.257 4.996 4.740 -0.000 0.000 0.174 367 N C 1.376 176.857 175.510 -0.048 0.000 1.027 367 N CA 0.580 53.611 53.050 -0.032 0.000 0.891 367 N CB 0.137 38.626 38.487 0.004 0.000 1.016 367 N HN 0.402 nan 8.380 nan 0.000 0.439 368 L N 0.333 121.505 121.223 -0.086 0.000 2.858 368 L HA 0.240 4.580 4.340 -0.000 0.000 0.251 368 L C -0.383 176.427 176.870 -0.100 0.000 1.149 368 L CA -0.131 54.633 54.840 -0.125 0.000 0.955 368 L CB -0.008 41.910 42.059 -0.236 0.000 1.289 368 L HN -0.093 nan 8.230 nan 0.000 0.542 369 N N 0.641 119.302 118.700 -0.064 0.000 2.696 369 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 369 N C -0.389 175.079 175.510 -0.070 0.000 1.090 369 N CA 1.075 54.093 53.050 -0.053 0.000 0.716 369 N CB -1.767 36.690 38.487 -0.050 0.000 1.020 369 N HN 0.367 nan 8.380 nan 0.000 0.548 370 I N 0.551 121.077 120.570 -0.074 0.000 2.312 370 I HA 0.125 4.294 4.170 -0.000 0.000 0.290 370 I C 0.523 176.603 176.117 -0.061 0.000 1.008 370 I CA -0.475 60.742 61.300 -0.139 0.000 1.226 370 I CB 1.009 38.815 38.000 -0.324 0.000 1.371 370 I HN -0.006 nan 8.210 nan 0.000 0.468 371 E N 5.024 125.193 120.200 -0.051 0.000 2.259 371 E HA 0.261 4.611 4.350 -0.000 0.000 0.281 371 E C -0.295 176.311 176.600 0.010 0.000 1.037 371 E CA -0.310 56.086 56.400 -0.006 0.000 0.854 371 E CB 1.171 30.877 29.700 0.009 0.000 1.051 371 E HN 0.591 nan 8.360 nan 0.000 0.409 372 T N -0.365 114.203 114.554 0.023 0.000 2.950 372 T HA 0.502 4.852 4.350 -0.000 0.000 0.288 372 T C 0.299 175.033 174.700 0.057 0.000 1.035 372 T CA -1.071 61.071 62.100 0.070 0.000 1.028 372 T CB 1.593 70.457 68.868 -0.007 0.000 1.109 372 T HN 0.417 nan 8.240 nan 0.000 0.514 373 T N -1.086 113.510 114.554 0.069 0.000 2.927 373 T HA 0.430 4.779 4.350 -0.000 0.000 0.281 373 T C 1.604 176.311 174.700 0.012 0.000 0.998 373 T CA -0.608 61.513 62.100 0.035 0.000 1.019 373 T CB 0.858 69.748 68.868 0.036 0.000 1.061 373 T HN 0.424 nan 8.240 nan 0.000 0.518 374 V N 1.622 121.539 119.914 0.005 0.000 2.287 374 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 374 V C 3.012 179.099 176.094 -0.012 0.000 1.053 374 V CA 2.023 64.321 62.300 -0.003 0.000 1.027 374 V CB -1.668 30.156 31.823 0.001 0.000 0.646 374 V HN 0.904 nan 8.190 nan 0.000 0.447 375 V N -0.743 119.164 119.914 -0.011 0.000 2.469 375 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 375 V C 2.203 178.272 176.094 -0.042 0.000 1.064 375 V CA 2.282 64.567 62.300 -0.024 0.000 1.066 375 V CB -0.919 30.892 31.823 -0.019 0.000 0.667 375 V HN 0.598 nan 8.190 nan 0.000 0.461 376 E N 0.393 120.572 120.200 -0.034 0.000 2.077 376 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 376 E C 2.480 179.032 176.600 -0.081 0.000 0.989 376 E CA 1.561 57.925 56.400 -0.060 0.000 0.800 376 E CB -0.212 29.488 29.700 -0.001 0.000 0.746 376 E HN 0.608 nan 8.360 nan 0.000 0.452 377 R N 0.824 121.283 120.500 -0.069 0.000 2.115 377 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 377 R C 2.213 178.475 176.300 -0.064 0.000 1.111 377 R CA 0.909 56.955 56.100 -0.091 0.000 0.976 377 R CB -0.087 30.176 30.300 -0.062 0.000 0.870 377 R HN 0.068 nan 8.270 nan 0.000 0.445 378 K N 0.847 121.218 120.400 -0.049 0.000 2.057 378 K HA -0.142 4.177 4.320 -0.000 0.000 0.207 378 K C 2.158 178.721 176.600 -0.062 0.000 1.049 378 K CA 1.020 57.280 56.287 -0.044 0.000 0.931 378 K CB -0.221 32.255 32.500 -0.039 0.000 0.714 378 K HN 0.135 nan 8.250 nan 0.000 0.440 379 L N 1.304 122.479 121.223 -0.081 0.000 1.989 379 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 379 L C 2.179 178.999 176.870 -0.083 0.000 1.071 379 L CA 1.458 56.239 54.840 -0.098 0.000 0.749 379 L CB -0.168 41.816 42.059 -0.124 0.000 0.890 379 L HN 0.141 nan 8.230 nan 0.000 0.431 380 I N -0.564 119.955 120.570 -0.084 0.000 2.226 380 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 380 I C 2.721 178.825 176.117 -0.021 0.000 1.100 380 I CA 1.127 62.392 61.300 -0.058 0.000 1.374 380 I CB -0.291 37.638 38.000 -0.119 0.000 1.057 380 I HN 0.302 nan 8.210 nan 0.000 0.413 381 R N 1.755 122.241 120.500 -0.023 0.000 2.091 381 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 381 R C 2.094 178.386 176.300 -0.012 0.000 1.136 381 R CA 1.850 57.947 56.100 -0.005 0.000 0.959 381 R CB -0.425 29.871 30.300 -0.007 0.000 0.856 381 R HN 0.113 nan 8.270 nan 0.000 0.437 382 K N 0.078 120.460 120.400 -0.030 0.000 2.097 382 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 382 K C 1.970 178.545 176.600 -0.042 0.000 1.050 382 K CA 1.244 57.512 56.287 -0.031 0.000 0.938 382 K CB -0.424 32.047 32.500 -0.048 0.000 0.718 382 K HN 0.298 nan 8.250 nan 0.000 0.442 383 L N -0.128 121.056 121.223 -0.064 0.000 2.056 383 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 383 L C 2.133 178.929 176.870 -0.123 0.000 1.078 383 L CA 1.645 56.413 54.840 -0.121 0.000 0.749 383 L CB -0.607 41.378 42.059 -0.123 0.000 0.901 383 L HN 0.361 nan 8.230 nan 0.000 0.433 384 A N -0.276 122.523 122.820 -0.036 0.000 1.877 384 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 384 A C 2.000 179.612 177.584 0.047 0.000 1.186 384 A CA 1.582 53.633 52.037 0.023 0.000 0.620 384 A CB -0.505 18.541 19.000 0.077 0.000 0.822 384 A HN 0.522 nan 8.150 nan 0.000 0.443 385 E N -0.153 120.068 120.200 0.036 0.000 2.070 385 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 385 E C 2.006 178.623 176.600 0.029 0.000 1.004 385 E CA 1.435 57.867 56.400 0.053 0.000 0.805 385 E CB -0.397 29.324 29.700 0.034 0.000 0.744 385 E HN 0.633 nan 8.360 nan 0.000 0.451 386 L N 0.497 121.707 121.223 -0.020 0.000 2.042 386 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 386 L C 2.556 179.393 176.870 -0.056 0.000 1.076 386 L CA 0.828 55.657 54.840 -0.018 0.000 0.749 386 L CB -0.378 41.659 42.059 -0.037 0.000 0.893 386 L HN 0.043 nan 8.230 nan 0.000 0.432 387 V N -0.138 119.671 119.914 -0.174 0.000 2.307 387 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 387 V C 2.570 178.632 176.094 -0.054 0.000 1.045 387 V CA 1.974 64.159 62.300 -0.192 0.000 1.024 387 V CB -0.998 30.659 31.823 -0.278 0.000 0.651 387 V HN 0.562 nan 8.190 nan 0.000 0.449 388 G N -0.643 108.156 108.800 -0.003 0.000 2.418 388 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 388 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 388 G C 1.696 176.592 174.900 -0.007 0.000 1.158 388 G CA 1.557 46.623 45.100 -0.057 0.000 0.771 388 G HN 0.467 nan 8.290 nan 0.000 0.545 389 T N 0.047 114.624 114.554 0.038 0.000 2.746 389 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 389 T C 2.312 177.034 174.700 0.035 0.000 1.039 389 T CA 1.224 63.342 62.100 0.030 0.000 1.142 389 T CB -0.094 68.801 68.868 0.045 0.000 0.866 389 T HN 0.300 nan 8.240 nan 0.000 0.444 390 R N 0.850 121.390 120.500 0.065 0.000 2.081 390 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 390 R C 2.614 178.967 176.300 0.089 0.000 1.131 390 R CA 1.399 57.560 56.100 0.103 0.000 0.960 390 R CB -0.438 29.968 30.300 0.178 0.000 0.856 390 R HN 0.369 nan 8.270 nan 0.000 0.436 391 A N 0.780 123.640 122.820 0.067 0.000 1.902 391 A HA -0.121 4.198 4.320 -0.000 0.000 0.217 391 A C 2.370 180.022 177.584 0.113 0.000 1.181 391 A CA 1.722 53.804 52.037 0.075 0.000 0.623 391 A CB -0.842 18.183 19.000 0.040 0.000 0.818 391 A HN 0.542 nan 8.150 nan 0.000 0.443 392 A N -0.145 122.714 122.820 0.065 0.000 1.908 392 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 392 A C 2.249 179.833 177.584 -0.000 0.000 1.181 392 A CA 1.768 53.754 52.037 -0.086 0.000 0.627 392 A CB -0.472 18.286 19.000 -0.404 0.000 0.818 392 A HN 0.565 nan 8.150 nan 0.000 0.445 393 R N -0.666 119.852 120.500 0.029 0.000 2.115 393 R HA 0.069 4.409 4.340 -0.000 0.000 0.230 393 R C 2.005 178.376 176.300 0.117 0.000 1.111 393 R CA 1.173 57.307 56.100 0.058 0.000 0.976 393 R CB -0.380 29.951 30.300 0.052 0.000 0.870 393 R HN 0.511 nan 8.270 nan 0.000 0.445 394 L N -0.379 120.937 121.223 0.154 0.000 2.072 394 L HA -0.111 4.228 4.340 -0.000 0.000 0.205 394 L C 2.210 179.297 176.870 0.363 0.000 1.079 394 L CA 1.189 56.187 54.840 0.263 0.000 0.752 394 L CB -0.625 41.584 42.059 0.251 0.000 0.906 394 L HN 0.188 nan 8.230 nan 0.000 0.436 395 T N 0.129 114.830 114.554 0.246 0.000 2.665 395 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 395 T C 1.834 176.697 174.700 0.272 0.000 1.035 395 T CA 1.881 64.153 62.100 0.286 0.000 1.151 395 T CB -0.328 68.705 68.868 0.276 0.000 0.862 395 T HN 0.359 nan 8.240 nan 0.000 0.438 396 V N -0.377 119.650 119.914 0.189 0.000 3.141 396 V HA -0.054 4.066 4.120 -0.000 0.000 0.265 396 V C 2.312 178.459 176.094 0.089 0.000 1.126 396 V CA 0.883 63.268 62.300 0.142 0.000 1.141 396 V CB -1.605 30.294 31.823 0.128 0.000 0.743 396 V HN 0.561 nan 8.190 nan 0.000 0.492 397 C N 1.706 121.073 119.300 0.111 0.000 2.425 397 C HA 0.050 4.509 4.460 -0.000 0.000 0.277 397 C C 2.973 177.853 174.990 -0.183 0.000 1.280 397 C CA 1.167 60.208 59.018 0.038 0.000 1.744 397 C CB -1.777 26.062 27.740 0.165 0.000 1.989 397 C HN 0.713 nan 8.230 nan 0.000 0.491 398 G N 0.126 108.789 108.800 -0.228 0.000 2.403 398 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 398 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 398 G C 1.653 176.280 174.900 -0.455 0.000 1.154 398 G CA 1.096 45.688 45.100 -0.847 0.000 0.784 398 G HN 0.392 nan 8.290 nan 0.000 0.538 399 V N 0.904 120.750 119.914 -0.112 0.000 2.295 399 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 399 V C 3.013 179.094 176.094 -0.021 0.000 1.049 399 V CA 2.264 64.561 62.300 -0.005 0.000 1.024 399 V CB -0.552 31.334 31.823 0.104 0.000 0.648 399 V HN 0.471 nan 8.190 nan 0.000 0.447 400 S N -0.304 115.394 115.700 -0.004 0.000 2.368 400 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 400 S C 2.161 176.710 174.600 -0.085 0.000 1.030 400 S CA 1.620 59.855 58.200 0.057 0.000 0.999 400 S CB -0.391 62.808 63.200 -0.002 0.000 0.844 400 S HN 0.615 nan 8.310 nan 0.000 0.459 401 A N 1.165 123.821 122.820 -0.272 0.000 1.892 401 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 401 A C 2.136 179.511 177.584 -0.349 0.000 1.188 401 A CA 1.788 53.603 52.037 -0.371 0.000 0.631 401 A CB -0.851 17.702 19.000 -0.745 0.000 0.822 401 A HN 0.609 nan 8.150 nan 0.000 0.447 402 I N -0.942 119.389 120.570 -0.398 0.000 2.163 402 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 402 I C 2.594 178.536 176.117 -0.293 0.000 1.081 402 I CA 1.214 62.242 61.300 -0.453 0.000 1.353 402 I CB -0.326 37.384 38.000 -0.483 0.000 1.054 402 I HN 0.413 nan 8.210 nan 0.000 0.407 403 C N 0.604 119.853 119.300 -0.084 0.000 2.413 403 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 403 C C 2.453 177.396 174.990 -0.077 0.000 1.236 403 C CA 1.127 60.175 59.018 0.050 0.000 1.735 403 C CB -1.081 26.771 27.740 0.188 0.000 2.031 403 C HN 0.531 nan 8.230 nan 0.000 0.474 404 D N 0.370 120.747 120.400 -0.038 0.000 2.097 404 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 404 D C 2.123 178.347 176.300 -0.125 0.000 0.989 404 D CA 1.025 55.001 54.000 -0.041 0.000 0.827 404 D CB -0.519 40.266 40.800 -0.024 0.000 0.966 404 D HN 0.502 nan 8.370 nan 0.000 0.456 405 K N 0.283 120.574 120.400 -0.181 0.000 2.089 405 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 405 K C 1.459 177.929 176.600 -0.216 0.000 1.048 405 K CA 1.157 57.333 56.287 -0.185 0.000 0.926 405 K CB 0.240 32.609 32.500 -0.219 0.000 0.714 405 K HN -0.048 nan 8.250 nan 0.000 0.448 406 R N -1.072 119.198 120.500 -0.384 0.000 2.334 406 R HA 0.096 4.436 4.340 -0.000 0.000 0.216 406 R C 0.796 176.805 176.300 -0.485 0.000 0.905 406 R CA 0.778 56.552 56.100 -0.543 0.000 1.064 406 R CB 0.435 30.088 30.300 -1.079 0.000 1.046 406 R HN 0.479 nan 8.270 nan 0.000 0.508 407 G N 1.690 110.311 108.800 -0.298 0.000 2.225 407 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 407 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 407 G C -0.699 174.204 174.900 0.005 0.000 1.060 407 G CA -0.088 44.949 45.100 -0.106 0.000 0.833 407 G HN 0.209 nan 8.290 nan 0.000 0.498 408 Y N 0.327 120.638 120.300 0.019 0.000 2.452 408 Y HA 0.381 4.931 4.550 -0.000 0.000 0.348 408 Y C 1.616 177.514 175.900 -0.003 0.000 0.985 408 Y CA -1.489 56.613 58.100 0.003 0.000 1.214 408 Y CB 0.994 39.456 38.460 0.003 0.000 1.136 408 Y HN 0.113 nan 8.280 nan 0.000 0.523 409 K N 0.906 121.390 120.400 0.141 0.000 2.314 409 K HA 0.127 4.446 4.320 -0.000 0.000 0.198 409 K C 0.097 176.696 176.600 -0.002 0.000 1.045 409 K CA 0.462 56.788 56.287 0.065 0.000 0.988 409 K CB 0.349 32.884 32.500 0.059 0.000 0.783 409 K HN 0.433 nan 8.250 nan 0.000 0.484 410 T N 0.838 115.383 114.554 -0.015 0.000 2.886 410 T HA 0.637 4.987 4.350 -0.000 0.000 0.292 410 T C -1.415 173.220 174.700 -0.107 0.000 1.012 410 T CA -0.636 61.409 62.100 -0.093 0.000 0.982 410 T CB 2.049 70.841 68.868 -0.127 0.000 1.018 410 T HN 0.197 nan 8.240 nan 0.000 0.451 411 A N 2.581 125.341 122.820 -0.100 0.000 2.582 411 A HA 0.587 4.907 4.320 -0.000 0.000 0.297 411 A C -1.469 176.142 177.584 0.045 0.000 1.059 411 A CA -0.766 51.211 52.037 -0.102 0.000 0.705 411 A CB 0.818 19.789 19.000 -0.047 0.000 1.279 411 A HN 0.964 nan 8.150 nan 0.000 0.404 412 H N 1.801 120.821 119.070 -0.085 0.000 2.527 412 H HA 0.435 4.991 4.556 -0.000 0.000 0.321 412 H C -0.501 174.810 175.328 -0.029 0.000 1.087 412 H CA -0.601 55.419 56.048 -0.046 0.000 1.337 412 H CB 1.204 30.937 29.762 -0.048 0.000 1.440 412 H HN 0.408 nan 8.280 nan 0.000 0.490 413 I N 2.914 123.546 120.570 0.104 0.000 2.330 413 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 413 I C 0.367 176.468 176.117 -0.027 0.000 1.025 413 I CA -0.523 60.806 61.300 0.048 0.000 1.197 413 I CB 0.601 38.637 38.000 0.059 0.000 1.358 413 I HN 0.596 nan 8.210 nan 0.000 0.467 414 A N 6.022 128.831 122.820 -0.018 0.000 2.350 414 A HA 0.702 5.022 4.320 -0.000 0.000 0.293 414 A C 0.397 177.891 177.584 -0.150 0.000 1.231 414 A CA -0.288 51.711 52.037 -0.063 0.000 0.883 414 A CB 0.033 19.037 19.000 0.008 0.000 1.133 414 A HN 0.812 nan 8.150 nan 0.000 0.533 415 A N 2.812 125.416 122.820 -0.361 0.000 2.340 415 A HA 0.782 5.101 4.320 -0.000 0.000 0.331 415 A C -0.474 176.864 177.584 -0.411 0.000 1.140 415 A CA -0.465 51.227 52.037 -0.575 0.000 0.801 415 A CB 1.138 19.322 19.000 -1.360 0.000 1.234 415 A HN 0.784 nan 8.150 nan 0.000 0.469 416 D N -0.809 119.495 120.400 -0.160 0.000 2.664 416 D HA 0.683 5.323 4.640 -0.000 0.000 0.292 416 D C -0.185 176.171 176.300 0.094 0.000 1.214 416 D CA 0.925 54.955 54.000 0.049 0.000 0.932 416 D CB 2.038 42.856 40.800 0.031 0.000 1.420 416 D HN 1.695 nan 8.370 nan 0.000 0.471 417 G N -0.533 108.333 108.800 0.111 0.000 2.515 417 G HA2 0.026 3.985 3.960 -0.000 0.000 0.686 417 G HA3 0.026 3.985 3.960 -0.000 0.000 0.686 417 G C 0.643 175.590 174.900 0.079 0.000 1.274 417 G CA 0.451 45.595 45.100 0.074 0.000 0.874 417 G HN 0.782 nan 8.290 nan 0.000 0.631 418 S N -1.102 114.623 115.700 0.042 0.000 2.423 418 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 418 S C 2.257 176.866 174.600 0.015 0.000 1.014 418 S CA 2.061 60.281 58.200 0.034 0.000 0.965 418 S CB 0.050 63.270 63.200 0.034 0.000 0.785 418 S HN 1.280 nan 8.310 nan 0.000 0.495 419 V N 0.957 120.846 119.914 -0.042 0.000 2.283 419 V HA -0.016 4.104 4.120 -0.000 0.000 0.243 419 V C 2.072 177.982 176.094 -0.306 0.000 1.039 419 V CA 1.839 64.032 62.300 -0.177 0.000 1.016 419 V CB -0.914 30.695 31.823 -0.356 0.000 0.650 419 V HN 0.559 nan 8.190 nan 0.000 0.449 420 F N 1.847 121.573 119.950 -0.373 0.000 2.134 420 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 420 F C 2.241 178.033 175.800 -0.014 0.000 1.097 420 F CA 1.820 59.697 58.000 -0.206 0.000 1.264 420 F CB -0.283 38.693 39.000 -0.040 0.000 1.001 420 F HN 0.187 nan 8.300 nan 0.000 0.479 421 N N 0.304 118.994 118.700 -0.016 0.000 2.216 421 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 421 N C 1.501 176.955 175.510 -0.093 0.000 1.017 421 N CA 1.264 54.276 53.050 -0.062 0.000 0.861 421 N CB -0.190 38.335 38.487 0.063 0.000 0.986 421 N HN 0.412 nan 8.380 nan 0.000 0.428 422 R N -1.720 118.752 120.500 -0.048 0.000 2.513 422 R HA 0.137 4.477 4.340 -0.000 0.000 0.245 422 R C -0.295 175.993 176.300 -0.021 0.000 0.908 422 R CA -0.355 55.725 56.100 -0.034 0.000 1.023 422 R CB 0.436 30.727 30.300 -0.015 0.000 1.338 422 R HN 0.098 nan 8.270 nan 0.000 0.575 423 Y N 4.158 124.416 120.300 -0.070 0.000 2.544 423 Y HA 0.112 4.662 4.550 -0.000 0.000 0.330 423 Y C -2.187 173.736 175.900 0.038 0.000 1.136 423 Y CA -2.128 55.966 58.100 -0.009 0.000 1.417 423 Y CB 0.635 39.090 38.460 -0.007 0.000 1.229 423 Y HN -0.120 nan 8.280 nan 0.000 0.532 424 P HA 0.092 nan 4.420 nan 0.000 0.267 424 P C 0.355 177.672 177.300 0.029 0.000 1.209 424 P CA 1.489 64.475 63.100 -0.189 0.000 0.763 424 P CB 0.552 32.065 31.700 -0.312 0.000 0.816 425 G N 2.607 111.436 108.800 0.048 0.000 2.180 425 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.263 425 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.263 425 G C 0.885 175.876 174.900 0.152 0.000 0.989 425 G CA 0.452 45.597 45.100 0.076 0.000 0.692 425 G HN 0.514 nan 8.290 nan 0.000 0.526 426 Y N 0.915 121.290 120.300 0.124 0.000 2.165 426 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 426 Y C 2.723 178.674 175.900 0.085 0.000 1.155 426 Y CA 2.675 60.860 58.100 0.142 0.000 1.164 426 Y CB -0.180 38.368 38.460 0.147 0.000 0.978 426 Y HN 0.401 nan 8.280 nan 0.000 0.513 427 K N -0.367 120.105 120.400 0.120 0.000 2.103 427 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 427 K C 1.848 178.465 176.600 0.028 0.000 1.048 427 K CA 1.826 58.162 56.287 0.081 0.000 0.930 427 K CB -0.155 32.351 32.500 0.010 0.000 0.716 427 K HN 0.266 nan 8.250 nan 0.000 0.444 428 E N 0.971 121.177 120.200 0.010 0.000 2.072 428 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 428 E C 1.725 178.328 176.600 0.006 0.000 0.985 428 E CA 1.290 57.697 56.400 0.011 0.000 0.801 428 E CB 0.080 29.787 29.700 0.013 0.000 0.750 428 E HN 0.183 nan 8.360 nan 0.000 0.452 429 K N 0.124 120.498 120.400 -0.042 0.000 2.026 429 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 429 K C 2.136 178.670 176.600 -0.110 0.000 1.048 429 K CA 1.190 57.429 56.287 -0.080 0.000 0.929 429 K CB -0.183 32.233 32.500 -0.139 0.000 0.713 429 K HN 0.106 nan 8.250 nan 0.000 0.439 430 A N 1.402 124.099 122.820 -0.205 0.000 1.902 430 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 430 A C 2.348 179.986 177.584 0.090 0.000 1.181 430 A CA 1.893 53.875 52.037 -0.091 0.000 0.623 430 A CB -0.708 18.256 19.000 -0.060 0.000 0.818 430 A HN 0.340 nan 8.150 nan 0.000 0.443 431 A N -1.090 121.806 122.820 0.125 0.000 1.930 431 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 431 A C 2.149 179.943 177.584 0.351 0.000 1.175 431 A CA 2.005 54.201 52.037 0.264 0.000 0.627 431 A CB -0.442 18.627 19.000 0.114 0.000 0.815 431 A HN 0.524 nan 8.150 nan 0.000 0.443 432 Q N 0.006 119.926 119.800 0.201 0.000 2.079 432 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 432 Q C 2.036 178.097 176.000 0.103 0.000 0.974 432 Q CA 2.023 57.927 55.803 0.167 0.000 0.840 432 Q CB -0.652 28.145 28.738 0.098 0.000 0.898 432 Q HN 0.524 nan 8.270 nan 0.000 0.430 433 A N 0.419 123.281 122.820 0.069 0.000 1.873 433 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 433 A C 2.171 179.767 177.584 0.020 0.000 1.193 433 A CA 1.672 53.729 52.037 0.033 0.000 0.629 433 A CB -0.990 18.026 19.000 0.027 0.000 0.826 433 A HN 0.466 nan 8.150 nan 0.000 0.447 434 L N -0.767 120.514 121.223 0.096 0.000 2.017 434 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 434 L C 2.683 179.407 176.870 -0.244 0.000 1.073 434 L CA 1.973 56.863 54.840 0.083 0.000 0.745 434 L CB -0.363 41.895 42.059 0.332 0.000 0.894 434 L HN 0.468 nan 8.230 nan 0.000 0.432 435 K N -0.212 120.127 120.400 -0.101 0.000 2.211 435 K HA -0.209 4.110 4.320 -0.000 0.000 0.204 435 K C 1.435 177.900 176.600 -0.224 0.000 1.047 435 K CA 1.597 57.757 56.287 -0.212 0.000 0.935 435 K CB 0.049 32.600 32.500 0.085 0.000 0.728 435 K HN 0.307 nan 8.250 nan 0.000 0.452 436 D N 0.448 120.764 120.400 -0.140 0.000 2.162 436 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 436 D C 1.880 178.054 176.300 -0.210 0.000 0.967 436 D CA 0.743 54.667 54.000 -0.127 0.000 0.840 436 D CB 0.029 40.789 40.800 -0.066 0.000 0.972 436 D HN 0.250 nan 8.370 nan 0.000 0.482 437 I N -0.181 120.218 120.570 -0.285 0.000 2.163 437 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 437 I C 1.655 177.405 176.117 -0.613 0.000 1.081 437 I CA 1.114 62.154 61.300 -0.433 0.000 1.353 437 I CB -0.097 37.590 38.000 -0.521 0.000 1.054 437 I HN -0.007 nan 8.210 nan 0.000 0.407 438 Y N -0.134 119.800 120.300 -0.611 0.000 2.511 438 Y HA 0.075 4.625 4.550 -0.000 0.000 0.279 438 Y C 0.918 176.468 175.900 -0.584 0.000 1.157 438 Y CA 0.020 57.683 58.100 -0.728 0.000 1.300 438 Y CB -0.410 37.223 38.460 -1.380 0.000 1.052 438 Y HN 0.213 nan 8.280 nan 0.000 0.529 439 N N -0.322 118.172 118.700 -0.344 0.000 2.725 439 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 439 N C -1.063 174.426 175.510 -0.036 0.000 1.031 439 N CA 0.192 53.150 53.050 -0.154 0.000 0.720 439 N CB -0.785 37.648 38.487 -0.091 0.000 0.930 439 N HN 0.230 nan 8.380 nan 0.000 0.543 440 W N -0.012 121.287 121.300 -0.001 0.000 2.170 440 W HA 0.198 4.858 4.660 -0.000 0.000 0.336 440 W C 0.905 177.406 176.519 -0.029 0.000 1.283 440 W CA -0.231 57.092 57.345 -0.036 0.000 1.224 440 W CB 0.196 29.579 29.460 -0.128 0.000 1.132 440 W HN 0.157 nan 8.180 nan 0.000 0.571 441 D N 1.856 122.394 120.400 0.231 0.000 2.639 441 D HA 0.347 4.986 4.640 -0.000 0.000 0.233 441 D C -0.743 175.623 176.300 0.110 0.000 1.161 441 D CA 0.191 54.272 54.000 0.134 0.000 1.003 441 D CB 0.060 40.916 40.800 0.094 0.000 1.034 441 D HN -0.124 nan 8.370 nan 0.000 0.514 442 V N 1.582 121.576 119.914 0.133 0.000 3.102 442 V HA 0.362 4.482 4.120 -0.000 0.000 0.312 442 V C 0.680 176.865 176.094 0.150 0.000 1.135 442 V CA -0.744 61.629 62.300 0.121 0.000 1.022 442 V CB 2.411 34.307 31.823 0.122 0.000 1.056 442 V HN 0.408 nan 8.190 nan 0.000 0.436 443 E N 0.599 120.872 120.200 0.122 0.000 2.606 443 E HA 0.335 4.685 4.350 -0.000 0.000 0.224 443 E C 0.049 176.700 176.600 0.085 0.000 0.930 443 E CA -0.273 56.190 56.400 0.106 0.000 1.125 443 E CB 0.783 30.523 29.700 0.066 0.000 1.123 443 E HN 0.462 nan 8.360 nan 0.000 0.522 444 K N 0.906 121.347 120.400 0.070 0.000 2.345 444 K HA 0.385 4.704 4.320 -0.000 0.000 0.255 444 K C 0.348 176.893 176.600 -0.091 0.000 0.934 444 K CA -0.441 55.846 56.287 -0.000 0.000 0.801 444 K CB 1.362 33.855 32.500 -0.011 0.000 1.137 444 K HN 0.012 nan 8.250 nan 0.000 0.424 445 M N 1.491 120.949 119.600 -0.236 0.000 2.267 445 M HA -0.194 4.285 4.480 -0.000 0.000 0.263 445 M C 1.457 177.546 176.300 -0.352 0.000 1.063 445 M CA 1.635 56.583 55.300 -0.586 0.000 1.090 445 M CB -0.473 31.892 32.600 -0.393 0.000 1.392 445 M HN 0.621 nan 8.290 nan 0.000 0.422 446 E N 0.250 120.351 120.200 -0.164 0.000 2.409 446 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 446 E C 0.501 177.061 176.600 -0.067 0.000 1.024 446 E CA 0.965 57.308 56.400 -0.095 0.000 0.861 446 E CB -0.220 29.444 29.700 -0.060 0.000 0.788 446 E HN 0.503 nan 8.360 nan 0.000 0.521 447 D N 0.240 120.602 120.400 -0.062 0.000 2.431 447 D HA 0.064 4.704 4.640 -0.000 0.000 0.213 447 D C -0.395 175.869 176.300 -0.061 0.000 1.130 447 D CA -0.104 53.870 54.000 -0.044 0.000 0.834 447 D CB 0.104 40.890 40.800 -0.023 0.000 0.985 447 D HN 0.348 nan 8.370 nan 0.000 0.504 448 H N 1.070 119.991 119.070 -0.249 0.000 2.848 448 H HA 0.020 4.576 4.556 0.000 0.000 0.341 448 H C -1.298 173.627 175.328 -0.671 0.000 1.060 448 H CA -1.424 54.290 56.048 -0.556 0.000 1.444 448 H CB 1.502 31.060 29.762 -0.341 0.000 1.446 448 H HN -0.118 nan 8.280 nan 0.000 0.583 449 P HA -0.126 nan 4.420 nan 0.000 0.215 449 P C 0.033 177.125 177.300 -0.347 0.000 1.153 449 P CA 1.432 64.153 63.100 -0.631 0.000 0.853 449 P CB 0.410 31.664 31.700 -0.744 0.000 0.788 450 I N -0.172 120.193 120.570 -0.343 0.000 2.406 450 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 450 I C -0.089 176.127 176.117 0.164 0.000 0.999 450 I CA -0.647 60.678 61.300 0.042 0.000 1.124 450 I CB 1.499 39.613 38.000 0.190 0.000 1.289 450 I HN -0.043 nan 8.210 nan 0.000 0.441 451 Q N 5.551 125.447 119.800 0.159 0.000 2.391 451 Q HA 0.591 4.931 4.340 -0.000 0.000 0.279 451 Q C -1.926 174.134 176.000 0.100 0.000 1.028 451 Q CA -1.095 54.798 55.803 0.150 0.000 0.836 451 Q CB 2.313 31.096 28.738 0.075 0.000 1.414 451 Q HN 0.311 nan 8.270 nan 0.000 0.397 452 L N 1.831 123.125 121.223 0.117 0.000 2.326 452 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 452 L C -0.201 176.700 176.870 0.051 0.000 1.092 452 L CA -0.205 54.676 54.840 0.068 0.000 0.810 452 L CB 1.668 43.823 42.059 0.160 0.000 1.153 452 L HN 0.634 nan 8.230 nan 0.000 0.439 453 V N -0.006 119.876 119.914 -0.053 0.000 3.078 453 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 453 V C -0.051 176.049 176.094 0.010 0.000 1.138 453 V CA -1.314 60.980 62.300 -0.009 0.000 1.007 453 V CB 1.522 33.225 31.823 -0.200 0.000 1.045 453 V HN 0.869 nan 8.190 nan 0.000 0.432 454 A N 1.881 124.799 122.820 0.163 0.000 2.524 454 A HA 0.705 5.025 4.320 -0.000 0.000 0.250 454 A C 0.733 178.360 177.584 0.073 0.000 1.078 454 A CA 0.454 52.607 52.037 0.193 0.000 0.761 454 A CB -0.363 18.777 19.000 0.233 0.000 1.012 454 A HN 2.226 nan 8.150 nan 0.000 0.500 455 A N 2.983 125.826 122.820 0.039 0.000 2.332 455 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 455 A C 0.529 178.167 177.584 0.089 0.000 1.087 455 A CA -0.530 51.530 52.037 0.039 0.000 0.802 455 A CB 0.137 19.137 19.000 0.000 0.000 1.042 455 A HN 0.845 nan 8.150 nan 0.000 0.489 456 E N 0.491 120.754 120.200 0.106 0.000 2.397 456 E HA 0.060 4.410 4.350 -0.000 0.000 0.254 456 E C -0.518 176.123 176.600 0.069 0.000 1.231 456 E CA -0.248 56.229 56.400 0.128 0.000 0.954 456 E CB 0.347 30.138 29.700 0.151 0.000 1.024 456 E HN 0.660 nan 8.360 nan 0.000 0.481 457 D N -0.013 120.417 120.400 0.050 0.000 2.349 457 D HA 0.044 4.684 4.640 -0.000 0.000 0.266 457 D C 1.015 177.302 176.300 -0.022 0.000 1.293 457 D CA 0.256 54.265 54.000 0.015 0.000 0.926 457 D CB 0.340 41.146 40.800 0.011 0.000 1.090 457 D HN 0.446 nan 8.370 nan 0.000 0.502 458 G N 2.411 111.208 108.800 -0.005 0.000 2.396 458 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 458 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 458 G C 1.423 176.315 174.900 -0.013 0.000 1.166 458 G CA 0.706 45.797 45.100 -0.014 0.000 0.793 458 G HN 0.563 nan 8.290 nan 0.000 0.533 459 S N -0.035 115.666 115.700 0.003 0.000 2.489 459 S HA 0.281 4.751 4.470 -0.000 0.000 0.228 459 S C 1.942 176.558 174.600 0.026 0.000 0.995 459 S CA 1.152 59.366 58.200 0.024 0.000 0.934 459 S CB 0.141 63.363 63.200 0.036 0.000 0.771 459 S HN 0.420 nan 8.310 nan 0.000 0.522 460 G N 1.252 110.048 108.800 -0.006 0.000 2.613 460 G HA2 0.206 4.166 3.960 -0.000 0.000 0.218 460 G HA3 0.206 4.166 3.960 -0.000 0.000 0.218 460 G C 1.178 176.029 174.900 -0.082 0.000 1.508 460 G CA 0.433 45.517 45.100 -0.026 0.000 0.788 460 G HN 0.293 nan 8.290 nan 0.000 0.603 461 V N 2.105 121.925 119.914 -0.156 0.000 2.282 461 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 461 V C 3.142 179.096 176.094 -0.232 0.000 1.057 461 V CA 2.467 64.584 62.300 -0.306 0.000 1.032 461 V CB -1.171 30.292 31.823 -0.600 0.000 0.645 461 V HN 0.467 nan 8.190 nan 0.000 0.447 462 G N -0.651 108.061 108.800 -0.147 0.000 2.418 462 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 462 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 462 G C 1.742 176.596 174.900 -0.077 0.000 1.158 462 G CA 1.023 46.065 45.100 -0.097 0.000 0.771 462 G HN 0.648 nan 8.290 nan 0.000 0.545 463 A N 0.912 123.706 122.820 -0.043 0.000 1.972 463 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 463 A C 2.734 180.303 177.584 -0.025 0.000 1.169 463 A CA 2.130 54.163 52.037 -0.006 0.000 0.635 463 A CB -0.532 18.497 19.000 0.050 0.000 0.810 463 A HN 0.712 nan 8.150 nan 0.000 0.446 464 A N -0.145 122.642 122.820 -0.055 0.000 1.898 464 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 464 A C 2.062 179.528 177.584 -0.197 0.000 1.183 464 A CA 1.227 53.236 52.037 -0.045 0.000 0.622 464 A CB -0.489 18.514 19.000 0.006 0.000 0.824 464 A HN 0.457 nan 8.150 nan 0.000 0.444 465 I N -0.177 120.242 120.570 -0.252 0.000 2.286 465 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 465 I C 2.201 178.155 176.117 -0.272 0.000 1.115 465 I CA 1.185 62.276 61.300 -0.349 0.000 1.392 465 I CB -0.302 37.506 38.000 -0.321 0.000 1.065 465 I HN 0.289 nan 8.210 nan 0.000 0.418 466 I N 0.773 121.249 120.570 -0.157 0.000 2.286 466 I HA -0.289 3.880 4.170 -0.000 0.000 0.248 466 I C 2.807 178.854 176.117 -0.116 0.000 1.115 466 I CA 1.259 62.501 61.300 -0.097 0.000 1.392 466 I CB -0.460 37.516 38.000 -0.041 0.000 1.065 466 I HN 0.189 nan 8.210 nan 0.000 0.418 467 A N -0.016 122.726 122.820 -0.130 0.000 1.883 467 A HA -0.311 4.008 4.320 -0.000 0.000 0.217 467 A C 2.571 180.005 177.584 -0.250 0.000 1.186 467 A CA 1.965 53.940 52.037 -0.104 0.000 0.624 467 A CB -1.413 17.593 19.000 0.010 0.000 0.822 467 A HN 0.632 nan 8.150 nan 0.000 0.444 468 C N -0.204 118.684 119.300 -0.687 0.000 2.388 468 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 468 C C 2.635 177.402 174.990 -0.372 0.000 1.210 468 C CA 1.506 59.908 59.018 -1.026 0.000 1.743 468 C CB -1.657 25.185 27.740 -1.496 0.000 2.047 468 C HN 0.581 nan 8.230 nan 0.000 0.458 469 L N 0.388 121.459 121.223 -0.254 0.000 2.131 469 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 469 L C 2.763 179.599 176.870 -0.058 0.000 1.092 469 L CA 2.056 56.832 54.840 -0.107 0.000 0.759 469 L CB -0.961 41.064 42.059 -0.057 0.000 0.903 469 L HN 0.420 nan 8.230 nan 0.000 0.435 470 T N -1.416 113.103 114.554 -0.058 0.000 2.857 470 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 470 T C 1.818 176.512 174.700 -0.009 0.000 1.048 470 T CA 1.236 63.324 62.100 -0.020 0.000 1.139 470 T CB -0.080 68.782 68.868 -0.011 0.000 0.874 470 T HN 0.210 nan 8.240 nan 0.000 0.455 471 Q N 1.670 121.467 119.800 -0.005 0.000 2.079 471 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 471 Q C 2.137 178.158 176.000 0.034 0.000 0.974 471 Q CA 1.623 57.447 55.803 0.035 0.000 0.840 471 Q CB -0.240 28.561 28.738 0.105 0.000 0.898 471 Q HN 0.338 nan 8.270 nan 0.000 0.430 472 K N -0.137 120.279 120.400 0.025 0.000 2.034 472 K HA -0.227 4.092 4.320 -0.000 0.000 0.214 472 K C 2.235 178.844 176.600 0.015 0.000 1.051 472 K CA 2.050 58.352 56.287 0.025 0.000 0.931 472 K CB -0.160 32.349 32.500 0.015 0.000 0.715 472 K HN 0.235 nan 8.250 nan 0.000 0.446 473 R N 0.500 121.004 120.500 0.007 0.000 2.081 473 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 473 R C 2.473 178.773 176.300 0.001 0.000 1.131 473 R CA 1.188 57.291 56.100 0.005 0.000 0.960 473 R CB -0.404 29.899 30.300 0.005 0.000 0.856 473 R HN 0.187 nan 8.270 nan 0.000 0.436 474 L N 0.340 121.563 121.223 -0.001 0.000 2.017 474 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 474 L C 2.770 179.640 176.870 -0.000 0.000 1.073 474 L CA 1.381 56.218 54.840 -0.006 0.000 0.745 474 L CB -0.793 41.262 42.059 -0.007 0.000 0.894 474 L HN 0.249 nan 8.230 nan 0.000 0.432 475 A N 0.176 123.001 122.820 0.010 0.000 1.908 475 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 475 A C 2.435 180.024 177.584 0.008 0.000 1.181 475 A CA 1.998 54.043 52.037 0.012 0.000 0.627 475 A CB -0.669 18.345 19.000 0.024 0.000 0.818 475 A HN 0.442 nan 8.150 nan 0.000 0.445 476 A N -2.312 120.513 122.820 0.008 0.000 2.119 476 A HA 0.394 4.714 4.320 -0.000 0.000 0.216 476 A C 1.869 179.454 177.584 0.001 0.000 1.152 476 A CA 1.354 53.395 52.037 0.007 0.000 0.708 476 A CB -0.740 18.265 19.000 0.009 0.000 0.805 476 A HN 1.975 nan 8.150 nan 0.000 0.460 477 G N -1.020 107.778 108.800 -0.003 0.000 2.131 477 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.223 477 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.223 477 G C 0.034 174.929 174.900 -0.009 0.000 0.990 477 G CA 0.327 45.422 45.100 -0.008 0.000 0.671 477 G HN 0.549 nan 8.290 nan 0.000 0.521 478 K N 1.000 121.396 120.400 -0.006 0.000 2.143 478 K HA 0.586 4.906 4.320 -0.000 0.000 0.272 478 K C 0.577 177.171 176.600 -0.010 0.000 1.001 478 K CA -0.319 55.966 56.287 -0.003 0.000 0.915 478 K CB 1.042 33.545 32.500 0.004 0.000 1.047 478 K HN 0.157 nan 8.250 nan 0.000 0.458 479 S N 0.971 116.666 115.700 -0.008 0.000 2.562 479 S HA 0.047 4.517 4.470 -0.000 0.000 0.281 479 S C 0.581 175.174 174.600 -0.012 0.000 1.333 479 S CA -0.769 57.416 58.200 -0.025 0.000 1.052 479 S CB 0.737 63.925 63.200 -0.020 0.000 0.884 479 S HN 0.538 nan 8.310 nan 0.000 0.506 480 V N -0.609 119.263 119.914 -0.069 0.000 2.909 480 V HA 0.769 4.889 4.120 -0.000 0.000 0.362 480 V C 0.441 176.352 176.094 -0.304 0.000 1.356 480 V CA 0.279 62.547 62.300 -0.053 0.000 1.195 480 V CB -0.441 31.358 31.823 -0.040 0.000 1.256 480 V HN 0.978 nan 8.190 nan 0.000 0.567 481 G N 0.763 109.272 108.800 -0.486 0.000 2.341 481 G HA2 0.468 4.428 3.960 -0.000 0.000 0.299 481 G HA3 0.468 4.428 3.960 -0.000 0.000 0.299 481 G C -0.921 173.582 174.900 -0.661 0.000 1.274 481 G CA -0.359 44.011 45.100 -1.217 0.000 0.853 481 G HN 0.799 nan 8.290 nan 0.000 0.493 482 I N -1.057 119.167 120.570 -0.577 0.000 2.945 482 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 482 I C 0.749 176.789 176.117 -0.128 0.000 1.093 482 I CA -0.978 60.216 61.300 -0.177 0.000 1.336 482 I CB 0.828 38.794 38.000 -0.057 0.000 1.435 482 I HN 0.609 nan 8.210 nan 0.000 0.593 483 K N 2.672 123.041 120.400 -0.051 0.000 2.451 483 K HA 0.331 4.651 4.320 -0.000 0.000 0.280 483 K C 0.721 177.287 176.600 -0.058 0.000 1.020 483 K CA 0.235 56.493 56.287 -0.047 0.000 1.008 483 K CB 0.332 32.821 32.500 -0.019 0.000 0.917 483 K HN 1.154 nan 8.250 nan 0.000 0.478 484 G N 1.241 110.004 108.800 -0.063 0.000 2.254 484 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.225 484 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.225 484 G C -0.023 174.831 174.900 -0.077 0.000 1.003 484 G CA -0.146 44.919 45.100 -0.058 0.000 0.622 484 G HN 0.638 nan 8.290 nan 0.000 0.507 485 E N 0.000 120.134 120.200 -0.109 0.000 2.725 485 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 485 E CA 0.000 56.320 56.400 -0.134 0.000 0.976 485 E CB 0.000 29.584 29.700 -0.194 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440