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 1qjq_1_A DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEM ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYMLER AEIMRGPVSV LYGKSSPGGL LNMVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKMVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFMRMRNDIN AWFGYDDSVP LLNLYNPSSH HHHHHGSSVN DATA SEQUENCE TDFDFNAKDP ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD DATA SEQUENCE QESLNRVAGT TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG DATA SEQUENCE KDGNIFAPSK GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLMADPEGSF DATA SEQUENCE FSVEGGEIRA RGVEIEAKAA LSASVNVVGS YTYTDAEYTT DTTYKGNTPA DATA SEQUENCE QVPKHMASLW ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV DATA SEQUENCE VDALVRYDLA RVGMAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV DATA SEQUENCE ATATFRF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.566 176.600 -0.056 0.000 1.382 19 E CA 0.000 56.374 56.400 -0.043 0.000 0.976 19 E CB 0.000 29.667 29.700 -0.056 0.000 0.812 20 S N 2.956 118.629 115.700 -0.045 0.000 2.454 20 S HA 0.618 5.088 4.470 -0.000 0.000 0.306 20 S C 1.080 175.587 174.600 -0.155 0.000 1.100 20 S CA 0.256 58.421 58.200 -0.058 0.000 1.087 20 S CB 1.420 64.662 63.200 0.070 0.000 1.019 20 S HN 0.729 nan 8.310 nan 0.000 0.480 21 A N 4.835 127.430 122.820 -0.375 0.000 2.054 21 A HA -0.097 4.223 4.320 -0.000 0.000 0.223 21 A C 1.251 178.533 177.584 -0.503 0.000 1.169 21 A CA 1.341 53.044 52.037 -0.556 0.000 0.655 21 A CB -0.500 17.949 19.000 -0.918 0.000 0.812 21 A HN 0.923 nan 8.150 nan 0.000 0.462 22 W N -0.616 120.660 121.300 -0.040 0.000 3.305 22 W HA 0.457 5.117 4.660 -0.000 0.000 0.392 22 W C 0.638 177.131 176.519 -0.043 0.000 1.121 22 W CA 0.172 57.493 57.345 -0.040 0.000 1.909 22 W CB -0.692 28.747 29.460 -0.035 0.000 1.065 22 W HN 0.392 nan 8.180 nan 0.000 0.714 23 G N 0.239 109.089 108.800 0.084 0.000 2.975 23 G HA2 0.578 4.538 3.960 -0.000 0.000 0.291 23 G HA3 0.578 4.538 3.960 -0.000 0.000 0.291 23 G C -2.903 171.995 174.900 -0.002 0.000 1.334 23 G CA -1.072 44.057 45.100 0.048 0.000 0.843 23 G HN -0.400 nan 8.290 nan 0.000 0.548 24 P HA 0.338 nan 4.420 nan 0.000 0.272 24 P C 0.281 177.564 177.300 -0.029 0.000 1.248 24 P CA 0.701 63.789 63.100 -0.019 0.000 0.799 24 P CB 0.969 32.661 31.700 -0.012 0.000 0.997 25 A N 0.084 122.886 122.820 -0.030 0.000 2.390 25 A HA 0.574 4.894 4.320 -0.000 0.000 0.225 25 A C 1.315 178.883 177.584 -0.026 0.000 1.232 25 A CA 1.058 53.074 52.037 -0.035 0.000 0.964 25 A CB -0.666 18.309 19.000 -0.042 0.000 1.064 25 A HN 0.508 nan 8.150 nan 0.000 0.525 26 A N -1.392 121.418 122.820 -0.017 0.000 2.617 26 A HA -0.200 4.120 4.320 -0.000 0.000 0.236 26 A C 0.963 178.544 177.584 -0.005 0.000 0.551 26 A CA 2.165 54.196 52.037 -0.009 0.000 1.144 26 A CB -2.492 16.501 19.000 -0.013 0.000 1.384 26 A HN 1.058 nan 8.150 nan 0.000 0.694 27 T N -1.042 113.507 114.554 -0.010 0.000 2.916 27 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 27 T C 1.039 175.736 174.700 -0.004 0.000 1.064 27 T CA -0.113 61.985 62.100 -0.002 0.000 1.011 27 T CB 1.233 70.098 68.868 -0.005 0.000 1.152 27 T HN 0.414 nan 8.240 nan 0.000 0.510 28 I N 0.913 121.488 120.570 0.008 0.000 2.657 28 I HA 0.002 4.172 4.170 -0.000 0.000 0.261 28 I C 1.483 177.597 176.117 -0.006 0.000 1.212 28 I CA 0.840 62.144 61.300 0.005 0.000 1.453 28 I CB -0.778 37.240 38.000 0.031 0.000 1.092 28 I HN 0.646 nan 8.210 nan 0.000 0.452 29 A N 1.003 123.820 122.820 -0.006 0.000 2.260 29 A HA 0.810 5.130 4.320 -0.000 0.000 0.314 29 A C 0.095 177.658 177.584 -0.034 0.000 1.257 29 A CA -0.387 51.640 52.037 -0.016 0.000 0.871 29 A CB 0.182 19.176 19.000 -0.010 0.000 1.166 29 A HN 0.196 nan 8.150 nan 0.000 0.522 30 A N 2.824 125.616 122.820 -0.047 0.000 2.276 30 A HA 0.569 4.889 4.320 -0.000 0.000 0.316 30 A C 0.898 178.436 177.584 -0.075 0.000 1.229 30 A CA -0.660 51.339 52.037 -0.064 0.000 0.851 30 A CB 0.407 19.362 19.000 -0.076 0.000 1.165 30 A HN 0.917 nan 8.150 nan 0.000 0.513 31 R N 0.626 121.078 120.500 -0.080 0.000 2.140 31 R HA 0.057 4.397 4.340 -0.000 0.000 0.213 31 R C 0.023 176.258 176.300 -0.108 0.000 1.059 31 R CA 0.599 56.646 56.100 -0.088 0.000 1.000 31 R CB 0.127 30.378 30.300 -0.081 0.000 0.910 31 R HN 0.702 nan 8.270 nan 0.000 0.455 32 Q N 0.373 120.100 119.800 -0.123 0.000 2.274 32 Q HA 0.388 4.728 4.340 -0.000 0.000 0.260 32 Q C -0.813 175.067 176.000 -0.201 0.000 0.974 32 Q CA -0.196 55.509 55.803 -0.163 0.000 0.876 32 Q CB 2.327 30.962 28.738 -0.170 0.000 1.297 32 Q HN -0.052 nan 8.270 nan 0.000 0.446 33 S N -0.376 115.178 115.700 -0.243 0.000 2.547 33 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 33 S C -1.224 173.182 174.600 -0.323 0.000 1.150 33 S CA 0.198 58.235 58.200 -0.272 0.000 0.850 33 S CB 1.452 64.534 63.200 -0.197 0.000 1.118 33 S HN 0.575 nan 8.310 nan 0.000 0.461 34 A N 1.745 124.345 122.820 -0.366 0.000 2.600 34 A HA 0.297 4.617 4.320 -0.000 0.000 0.252 34 A C 1.437 178.946 177.584 -0.126 0.000 1.200 34 A CA 0.815 52.661 52.037 -0.318 0.000 0.981 34 A CB -0.412 18.227 19.000 -0.602 0.000 1.207 34 A HN 1.241 nan 8.150 nan 0.000 0.577 35 T N -3.572 110.920 114.554 -0.102 0.000 3.085 35 T HA 0.117 4.467 4.350 -0.000 0.000 0.263 35 T C 1.537 176.254 174.700 0.029 0.000 1.127 35 T CA 1.637 63.741 62.100 0.008 0.000 1.103 35 T CB -0.015 68.806 68.868 -0.078 0.000 0.921 35 T HN 0.303 nan 8.240 nan 0.000 0.510 36 G N 1.033 109.798 108.800 -0.059 0.000 2.662 36 G HA2 0.150 4.109 3.960 -0.000 0.000 0.212 36 G HA3 0.150 4.109 3.960 -0.000 0.000 0.212 36 G C 1.377 176.234 174.900 -0.073 0.000 1.141 36 G CA 0.850 45.907 45.100 -0.072 0.000 0.797 36 G HN 0.671 nan 8.290 nan 0.000 0.531 37 T N -3.687 110.823 114.554 -0.074 0.000 3.192 37 T HA 0.266 4.616 4.350 -0.000 0.000 0.295 37 T C 0.939 175.617 174.700 -0.037 0.000 0.947 37 T CA 0.189 62.250 62.100 -0.066 0.000 0.916 37 T CB 0.079 68.906 68.868 -0.068 0.000 1.169 37 T HN 0.150 nan 8.240 nan 0.000 0.540 38 K N 1.488 121.869 120.400 -0.031 0.000 3.193 38 K HA -0.168 4.151 4.320 -0.000 0.000 0.294 38 K C -0.188 176.479 176.600 0.112 0.000 1.185 38 K CA 1.441 57.752 56.287 0.040 0.000 0.866 38 K CB -2.403 30.103 32.500 0.010 0.000 1.227 38 K HN 0.846 nan 8.250 nan 0.000 0.467 39 T N -2.828 111.746 114.554 0.033 0.000 2.909 39 T HA 0.215 4.564 4.350 -0.000 0.000 0.299 39 T C -0.674 173.964 174.700 -0.104 0.000 1.073 39 T CA -1.064 61.062 62.100 0.043 0.000 0.999 39 T CB 2.346 71.231 68.868 0.029 0.000 1.098 39 T HN 0.036 nan 8.240 nan 0.000 0.477 40 D N 2.103 122.412 120.400 -0.151 0.000 2.356 40 D HA 0.203 4.843 4.640 -0.000 0.000 0.272 40 D C -0.459 175.736 176.300 -0.175 0.000 1.337 40 D CA 0.654 54.472 54.000 -0.302 0.000 0.970 40 D CB 0.240 40.884 40.800 -0.261 0.000 1.092 40 D HN 0.559 nan 8.370 nan 0.000 0.516 41 T N 4.934 119.376 114.554 -0.187 0.000 2.893 41 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 41 T C -2.502 172.112 174.700 -0.143 0.000 1.028 41 T CA -1.362 60.657 62.100 -0.136 0.000 0.995 41 T CB 2.383 71.180 68.868 -0.118 0.000 1.051 41 T HN 0.261 nan 8.240 nan 0.000 0.470 42 P HA 0.260 nan 4.420 nan 0.000 0.280 42 P C 1.438 178.667 177.300 -0.118 0.000 1.244 42 P CA -0.528 62.505 63.100 -0.112 0.000 0.784 42 P CB 0.569 32.216 31.700 -0.088 0.000 0.913 43 I N 2.019 122.514 120.570 -0.125 0.000 2.121 43 I HA -0.409 3.761 4.170 -0.000 0.000 0.243 43 I C 2.145 178.177 176.117 -0.142 0.000 1.047 43 I CA 1.901 63.121 61.300 -0.135 0.000 1.308 43 I CB -1.592 36.338 38.000 -0.116 0.000 1.015 43 I HN 0.335 nan 8.210 nan 0.000 0.410 44 Q N 2.500 122.238 119.800 -0.104 0.000 2.248 44 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 44 Q C 1.651 177.598 176.000 -0.090 0.000 0.984 44 Q CA 1.925 57.681 55.803 -0.079 0.000 0.875 44 Q CB -0.612 28.104 28.738 -0.036 0.000 0.910 44 Q HN 0.677 nan 8.270 nan 0.000 0.433 45 K N 0.690 121.033 120.400 -0.095 0.000 2.444 45 K HA 0.196 4.516 4.320 -0.000 0.000 0.193 45 K C -0.119 176.404 176.600 -0.129 0.000 1.024 45 K CA -0.058 56.177 56.287 -0.086 0.000 1.077 45 K CB 0.734 33.193 32.500 -0.068 0.000 0.833 45 K HN -0.018 nan 8.250 nan 0.000 0.517 46 V N 3.940 123.739 119.914 -0.192 0.000 2.406 46 V HA 0.077 4.196 4.120 -0.000 0.000 0.272 46 V C -1.600 174.278 176.094 -0.361 0.000 1.043 46 V CA -1.513 60.650 62.300 -0.228 0.000 0.915 46 V CB 1.255 32.948 31.823 -0.217 0.000 0.988 46 V HN 0.082 nan 8.190 nan 0.000 0.466 47 P HA -0.023 nan 4.420 nan 0.000 0.259 47 P C 0.083 177.263 177.300 -0.201 0.000 1.307 47 P CA 0.583 63.549 63.100 -0.222 0.000 0.768 47 P CB 0.423 32.053 31.700 -0.116 0.000 1.199 48 Q N -1.051 118.555 119.800 -0.323 0.000 2.418 48 Q HA 0.354 4.694 4.340 -0.000 0.000 0.282 48 Q C -0.752 175.125 176.000 -0.204 0.000 1.044 48 Q CA -0.700 54.998 55.803 -0.174 0.000 0.813 48 Q CB 2.152 30.803 28.738 -0.146 0.000 1.428 48 Q HN -0.226 nan 8.270 nan 0.000 0.402 49 S N 1.844 117.506 115.700 -0.064 0.000 2.466 49 S HA 0.214 4.684 4.470 -0.000 0.000 0.286 49 S C -0.614 173.924 174.600 -0.102 0.000 1.221 49 S CA 0.164 58.340 58.200 -0.041 0.000 1.091 49 S CB -0.328 62.877 63.200 0.008 0.000 0.956 49 S HN 0.241 nan 8.310 nan 0.000 0.501 50 I N 3.124 123.627 120.570 -0.112 0.000 2.498 50 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 50 I C 0.046 176.109 176.117 -0.091 0.000 1.032 50 I CA 0.105 61.334 61.300 -0.119 0.000 1.073 50 I CB 2.172 40.087 38.000 -0.142 0.000 1.251 50 I HN 0.404 nan 8.210 nan 0.000 0.426 51 S N 4.137 119.785 115.700 -0.087 0.000 2.578 51 S HA 0.862 5.331 4.470 -0.000 0.000 0.301 51 S C -0.893 173.659 174.600 -0.079 0.000 1.091 51 S CA -0.663 57.498 58.200 -0.065 0.000 1.032 51 S CB 2.155 65.324 63.200 -0.051 0.000 1.064 51 S HN 0.282 nan 8.310 nan 0.000 0.508 52 V N 2.346 122.220 119.914 -0.067 0.000 2.612 52 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 52 V C -0.942 175.114 176.094 -0.063 0.000 1.059 52 V CA -0.708 61.547 62.300 -0.075 0.000 0.886 52 V CB 1.828 33.600 31.823 -0.084 0.000 1.007 52 V HN 0.660 nan 8.190 nan 0.000 0.426 53 V N 4.294 124.167 119.914 -0.068 0.000 2.311 53 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 53 V C 0.838 176.891 176.094 -0.068 0.000 1.022 53 V CA -0.299 61.960 62.300 -0.069 0.000 0.830 53 V CB 1.564 33.342 31.823 -0.075 0.000 1.012 53 V HN 1.049 nan 8.190 nan 0.000 0.452 54 T N 2.468 116.985 114.554 -0.061 0.000 2.766 54 T HA 0.449 4.799 4.350 -0.000 0.000 0.295 54 T C 1.512 176.181 174.700 -0.052 0.000 1.024 54 T CA 0.163 62.230 62.100 -0.054 0.000 1.018 54 T CB 1.434 70.276 68.868 -0.043 0.000 1.002 54 T HN 0.662 nan 8.240 nan 0.000 0.532 55 A N -0.071 122.721 122.820 -0.047 0.000 1.902 55 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 55 A C 2.328 179.894 177.584 -0.029 0.000 1.181 55 A CA 1.916 53.926 52.037 -0.045 0.000 0.623 55 A CB -1.208 17.762 19.000 -0.049 0.000 0.818 55 A HN 1.042 nan 8.150 nan 0.000 0.443 56 E N -0.425 119.761 120.200 -0.023 0.000 2.033 56 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 56 E C 2.073 178.663 176.600 -0.018 0.000 1.011 56 E CA 1.627 58.021 56.400 -0.009 0.000 0.815 56 E CB -0.219 29.480 29.700 -0.002 0.000 0.755 56 E HN 0.738 nan 8.360 nan 0.000 0.451 57 E N -0.252 119.925 120.200 -0.039 0.000 2.097 57 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 57 E C 2.190 178.760 176.600 -0.050 0.000 1.000 57 E CA 1.573 57.930 56.400 -0.071 0.000 0.804 57 E CB -0.042 29.591 29.700 -0.111 0.000 0.740 57 E HN 0.343 nan 8.360 nan 0.000 0.454 58 M N -0.126 119.444 119.600 -0.050 0.000 2.117 58 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 58 M C 2.269 178.560 176.300 -0.015 0.000 1.065 58 M CA 1.313 56.589 55.300 -0.040 0.000 1.114 58 M CB -0.151 32.423 32.600 -0.043 0.000 1.361 58 M HN 0.121 nan 8.290 nan 0.000 0.408 59 A N -0.292 122.525 122.820 -0.004 0.000 2.264 59 A HA 0.000 4.320 4.320 -0.000 0.000 0.207 59 A C 1.836 179.434 177.584 0.023 0.000 1.196 59 A CA 0.755 52.801 52.037 0.014 0.000 0.778 59 A CB -0.509 18.510 19.000 0.032 0.000 0.779 59 A HN 0.388 nan 8.150 nan 0.000 0.483 60 L N -2.226 119.001 121.223 0.006 0.000 2.286 60 L HA 0.227 4.567 4.340 -0.000 0.000 0.203 60 L C 1.652 178.459 176.870 -0.106 0.000 1.068 60 L CA 1.673 56.494 54.840 -0.031 0.000 0.811 60 L CB -0.174 41.791 42.059 -0.156 0.000 0.989 60 L HN 0.479 nan 8.230 nan 0.000 0.467 61 H N -1.361 117.598 119.070 -0.185 0.000 2.705 61 H HA 0.301 4.857 4.556 -0.000 0.000 0.269 61 H C -0.082 175.032 175.328 -0.357 0.000 0.998 61 H CA -0.201 55.739 56.048 -0.180 0.000 1.193 61 H CB 0.313 29.973 29.762 -0.170 0.000 1.485 61 H HN 0.053 nan 8.280 nan 0.000 0.521 62 Q N 0.553 120.196 119.800 -0.262 0.000 2.460 62 Q HA -0.118 4.222 4.340 -0.000 0.000 0.311 62 Q C -2.273 173.638 176.000 -0.148 0.000 1.396 62 Q CA 0.379 56.012 55.803 -0.284 0.000 0.838 62 Q CB -1.794 26.610 28.738 -0.557 0.000 1.140 62 Q HN 0.502 nan 8.270 nan 0.000 0.415 63 P HA -0.025 nan 4.420 nan 0.000 0.269 63 P C 0.659 177.927 177.300 -0.054 0.000 1.217 63 P CA 0.079 63.148 63.100 -0.051 0.000 0.783 63 P CB 0.828 32.498 31.700 -0.050 0.000 0.898 64 K N 0.324 120.697 120.400 -0.045 0.000 2.262 64 K HA 0.044 4.364 4.320 -0.000 0.000 0.200 64 K C 0.549 177.123 176.600 -0.044 0.000 1.049 64 K CA 0.548 56.806 56.287 -0.048 0.000 0.979 64 K CB 0.241 32.715 32.500 -0.044 0.000 0.773 64 K HN 0.669 nan 8.250 nan 0.000 0.474 65 S N -2.070 113.606 115.700 -0.040 0.000 2.570 65 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 65 S C 0.737 175.311 174.600 -0.043 0.000 1.149 65 S CA -0.971 57.205 58.200 -0.041 0.000 0.837 65 S CB 1.681 64.855 63.200 -0.042 0.000 1.124 65 S HN -0.169 nan 8.310 nan 0.000 0.465 66 V N 1.860 121.744 119.914 -0.049 0.000 2.660 66 V HA -0.168 3.952 4.120 -0.000 0.000 0.257 66 V C 2.633 178.695 176.094 -0.053 0.000 1.088 66 V CA 2.253 64.518 62.300 -0.057 0.000 1.106 66 V CB -0.994 30.788 31.823 -0.069 0.000 0.686 66 V HN 0.928 nan 8.190 nan 0.000 0.481 67 K N 0.262 120.636 120.400 -0.042 0.000 1.965 67 K HA -0.253 4.067 4.320 -0.000 0.000 0.218 67 K C 2.196 178.774 176.600 -0.037 0.000 1.048 67 K CA 2.161 58.428 56.287 -0.034 0.000 0.960 67 K CB -0.199 32.291 32.500 -0.017 0.000 0.732 67 K HN 0.422 nan 8.250 nan 0.000 0.444 68 E N 0.106 120.287 120.200 -0.032 0.000 2.147 68 E HA -0.219 4.130 4.350 -0.000 0.000 0.199 68 E C 1.640 178.207 176.600 -0.055 0.000 1.005 68 E CA 1.556 57.936 56.400 -0.033 0.000 0.810 68 E CB -0.218 29.469 29.700 -0.023 0.000 0.736 68 E HN 0.456 nan 8.360 nan 0.000 0.460 69 A N 0.016 122.798 122.820 -0.063 0.000 2.234 69 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 69 A C 1.604 179.143 177.584 -0.076 0.000 1.167 69 A CA 0.931 52.917 52.037 -0.085 0.000 0.698 69 A CB -0.319 18.636 19.000 -0.076 0.000 0.779 69 A HN 0.217 nan 8.150 nan 0.000 0.475 70 L N -1.156 120.033 121.223 -0.058 0.000 2.857 70 L HA 0.113 4.453 4.340 -0.000 0.000 0.249 70 L C 1.748 178.592 176.870 -0.043 0.000 1.172 70 L CA 0.024 54.836 54.840 -0.047 0.000 0.980 70 L CB 0.239 42.264 42.059 -0.057 0.000 1.299 70 L HN 0.169 nan 8.230 nan 0.000 0.535 71 S N -0.301 115.364 115.700 -0.058 0.000 2.419 71 S HA -0.150 4.319 4.470 -0.000 0.000 0.235 71 S C 1.397 175.823 174.600 -0.289 0.000 1.019 71 S CA 1.466 59.571 58.200 -0.159 0.000 0.982 71 S CB -0.197 62.878 63.200 -0.208 0.000 0.789 71 S HN 0.463 nan 8.310 nan 0.000 0.490 72 Y N 1.598 121.842 120.300 -0.093 0.000 2.462 72 Y HA 0.162 4.712 4.550 -0.000 0.000 0.261 72 Y C 1.229 177.116 175.900 -0.021 0.000 1.146 72 Y CA -0.280 57.795 58.100 -0.041 0.000 1.283 72 Y CB -0.357 38.064 38.460 -0.064 0.000 1.090 72 Y HN 0.117 nan 8.280 nan 0.000 0.526 73 T N 1.583 116.176 114.554 0.066 0.000 2.884 73 T HA 0.223 4.572 4.350 -0.000 0.000 0.298 73 T C -2.565 172.137 174.700 0.003 0.000 0.998 73 T CA -1.925 60.193 62.100 0.031 0.000 1.124 73 T CB 1.338 70.201 68.868 -0.008 0.000 0.931 73 T HN -0.051 nan 8.240 nan 0.000 0.531 74 P HA 0.347 nan 4.420 nan 0.000 0.280 74 P C 0.810 178.092 177.300 -0.030 0.000 1.244 74 P CA 0.109 63.208 63.100 -0.002 0.000 0.784 74 P CB 0.900 32.620 31.700 0.033 0.000 0.913 75 G N 1.140 109.909 108.800 -0.050 0.000 2.132 75 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.234 75 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.234 75 G C -0.349 174.497 174.900 -0.091 0.000 0.989 75 G CA -0.119 44.941 45.100 -0.067 0.000 0.676 75 G HN 0.556 nan 8.290 nan 0.000 0.522 76 V N 0.983 120.846 119.914 -0.085 0.000 2.567 76 V HA 0.708 4.827 4.120 -0.000 0.000 0.298 76 V C 0.449 176.495 176.094 -0.080 0.000 1.047 76 V CA -0.302 61.944 62.300 -0.090 0.000 0.880 76 V CB 1.586 33.358 31.823 -0.085 0.000 1.009 76 V HN 1.029 nan 8.190 nan 0.000 0.429 77 S N 3.735 119.387 115.700 -0.081 0.000 2.646 77 S HA 0.654 5.124 4.470 -0.000 0.000 0.276 77 S C 0.359 174.939 174.600 -0.033 0.000 1.222 77 S CA 0.150 58.317 58.200 -0.055 0.000 1.014 77 S CB 1.840 65.007 63.200 -0.054 0.000 0.991 77 S HN 1.610 nan 8.310 nan 0.000 0.533 78 V N -0.353 119.562 119.914 0.002 0.000 3.261 78 V HA 0.575 4.695 4.120 -0.000 0.000 0.330 78 V C 0.751 176.872 176.094 0.045 0.000 1.461 78 V CA 0.205 62.512 62.300 0.012 0.000 1.127 78 V CB 0.059 31.880 31.823 -0.003 0.000 1.044 78 V HN 0.922 nan 8.190 nan 0.000 0.499 79 G N -0.152 108.692 108.800 0.072 0.000 3.453 79 G HA2 0.117 4.077 3.960 -0.000 0.000 0.263 79 G HA3 0.117 4.077 3.960 -0.000 0.000 0.263 79 G C 0.892 175.835 174.900 0.071 0.000 1.060 79 G CA 0.812 45.970 45.100 0.097 0.000 0.793 79 G HN 0.339 nan 8.290 nan 0.000 0.532 80 T N 0.357 114.942 114.554 0.053 0.000 2.802 80 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 80 T C 2.027 176.639 174.700 -0.146 0.000 1.062 80 T CA 1.324 63.447 62.100 0.038 0.000 1.133 80 T CB 0.039 68.993 68.868 0.143 0.000 0.852 80 T HN 0.293 nan 8.240 nan 0.000 0.485 81 R N -0.462 119.891 120.500 -0.245 0.000 2.590 81 R HA 0.404 4.743 4.340 -0.000 0.000 0.410 81 R C 0.973 177.034 176.300 -0.399 0.000 1.010 81 R CA 0.500 56.187 56.100 -0.687 0.000 1.155 81 R CB -0.023 29.977 30.300 -0.500 0.000 1.455 81 R HN 0.317 nan 8.270 nan 0.000 0.567 82 G N 0.399 109.152 108.800 -0.079 0.000 2.566 82 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.280 82 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.280 82 G C 0.983 175.897 174.900 0.024 0.000 1.225 82 G CA 0.332 45.458 45.100 0.043 0.000 0.966 82 G HN 0.454 nan 8.290 nan 0.000 0.560 83 A N -0.402 122.455 122.820 0.060 0.000 2.076 83 A HA 0.308 4.628 4.320 -0.000 0.000 0.220 83 A C 2.060 179.682 177.584 0.064 0.000 1.160 83 A CA 2.521 54.587 52.037 0.048 0.000 0.653 83 A CB -0.741 18.286 19.000 0.045 0.000 0.801 83 A HN 2.327 nan 8.150 nan 0.000 0.455 84 S N -0.129 115.630 115.700 0.099 0.000 2.568 84 S HA 0.122 4.591 4.470 -0.000 0.000 0.282 84 S C 0.657 175.266 174.600 0.014 0.000 1.338 84 S CA -0.140 58.112 58.200 0.086 0.000 1.045 84 S CB 0.125 63.384 63.200 0.097 0.000 0.873 84 S HN 0.494 nan 8.310 nan 0.000 0.516 85 N N 2.207 120.890 118.700 -0.027 0.000 2.143 85 N HA 0.063 4.803 4.740 -0.000 0.000 0.222 85 N C 0.997 176.405 175.510 -0.171 0.000 1.264 85 N CA 0.133 53.142 53.050 -0.069 0.000 0.897 85 N CB 0.210 38.656 38.487 -0.068 0.000 1.092 85 N HN 0.608 nan 8.380 nan 0.000 0.516 86 T N 0.520 114.901 114.554 -0.287 0.000 2.718 86 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 86 T C -0.081 174.102 174.700 -0.860 0.000 1.033 86 T CA 1.709 63.391 62.100 -0.698 0.000 1.151 86 T CB -0.148 68.052 68.868 -1.114 0.000 0.853 86 T HN 0.236 nan 8.240 nan 0.000 0.466 87 Y N -0.305 119.907 120.300 -0.146 0.000 2.492 87 Y HA 0.356 4.906 4.550 -0.000 0.000 0.346 87 Y C -0.554 175.332 175.900 -0.023 0.000 0.997 87 Y CA -1.863 56.187 58.100 -0.085 0.000 1.025 87 Y CB 1.342 39.760 38.460 -0.070 0.000 1.263 87 Y HN -0.147 nan 8.280 nan 0.000 0.454 88 D N 1.826 122.306 120.400 0.133 0.000 2.713 88 D HA -0.012 4.628 4.640 -0.000 0.000 0.229 88 D C -0.391 175.958 176.300 0.082 0.000 1.136 88 D CA 0.247 54.284 54.000 0.062 0.000 1.010 88 D CB -0.250 40.550 40.800 0.000 0.000 1.084 88 D HN 0.500 nan 8.370 nan 0.000 0.495 89 H N 2.274 121.354 119.070 0.017 0.000 2.552 89 H HA 0.357 4.913 4.556 -0.000 0.000 0.311 89 H C -0.827 174.474 175.328 -0.044 0.000 1.071 89 H CA -0.216 55.817 56.048 -0.025 0.000 1.307 89 H CB 0.674 30.419 29.762 -0.027 0.000 1.416 89 H HN 0.131 nan 8.280 nan 0.000 0.464 90 L N 5.828 126.810 121.223 -0.402 0.000 2.341 90 L HA 0.473 4.813 4.340 -0.000 0.000 0.267 90 L C -0.119 176.536 176.870 -0.358 0.000 1.009 90 L CA -0.995 53.681 54.840 -0.273 0.000 0.819 90 L CB 2.463 44.416 42.059 -0.177 0.000 1.323 90 L HN 0.514 nan 8.230 nan 0.000 0.425 91 I N 3.073 123.525 120.570 -0.198 0.000 2.355 91 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 91 I C -0.653 175.377 176.117 -0.144 0.000 0.999 91 I CA -0.265 60.935 61.300 -0.168 0.000 1.163 91 I CB 1.468 39.399 38.000 -0.115 0.000 1.316 91 I HN 0.389 nan 8.210 nan 0.000 0.454 92 I N 6.239 126.729 120.570 -0.133 0.000 2.362 92 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 92 I C 0.554 176.615 176.117 -0.095 0.000 0.994 92 I CA -0.784 60.444 61.300 -0.120 0.000 1.158 92 I CB 1.281 39.202 38.000 -0.132 0.000 1.315 92 I HN 0.589 nan 8.210 nan 0.000 0.451 93 R N 4.659 125.090 120.500 -0.116 0.000 3.422 93 R HA -0.206 4.134 4.340 -0.000 0.000 0.267 93 R C 0.914 177.128 176.300 -0.144 0.000 1.074 93 R CA 0.842 56.887 56.100 -0.092 0.000 0.718 93 R CB -1.531 28.674 30.300 -0.159 0.000 1.157 93 R HN 1.185 nan 8.270 nan 0.000 0.440 94 G N -2.190 106.445 108.800 -0.275 0.000 2.166 94 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 94 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 94 G C -0.030 174.363 174.900 -0.846 0.000 0.986 94 G CA 0.675 45.448 45.100 -0.545 0.000 0.683 94 G HN 0.360 nan 8.290 nan 0.000 0.527 95 F N -0.113 119.747 119.950 -0.150 0.000 2.603 95 F HA 0.846 5.373 4.527 -0.000 0.000 0.317 95 F C 0.335 176.036 175.800 -0.164 0.000 1.066 95 F CA -0.365 57.543 58.000 -0.152 0.000 0.941 95 F CB 2.234 41.140 39.000 -0.156 0.000 1.291 95 F HN 0.472 nan 8.300 nan 0.000 0.472 96 A N 0.552 123.412 122.820 0.068 0.000 2.602 96 A HA 0.878 5.198 4.320 -0.000 0.000 0.290 96 A C -1.232 176.330 177.584 -0.036 0.000 1.114 96 A CA -0.546 51.453 52.037 -0.064 0.000 0.683 96 A CB 0.706 19.630 19.000 -0.127 0.000 1.281 96 A HN 1.171 nan 8.150 nan 0.000 0.416 97 A N 0.387 123.160 122.820 -0.079 0.000 2.448 97 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 97 A C 0.194 177.767 177.584 -0.019 0.000 1.080 97 A CA -0.109 51.892 52.037 -0.060 0.000 0.779 97 A CB -0.108 18.846 19.000 -0.076 0.000 1.026 97 A HN 0.685 nan 8.150 nan 0.000 0.499 98 E N 0.113 120.300 120.200 -0.021 0.000 2.383 98 E HA 0.369 4.719 4.350 -0.000 0.000 0.264 98 E C 0.911 177.505 176.600 -0.009 0.000 1.050 98 E CA 1.009 57.408 56.400 -0.003 0.000 0.896 98 E CB 0.564 30.268 29.700 0.007 0.000 0.982 98 E HN 1.509 nan 8.360 nan 0.000 0.424 99 G N 2.853 111.644 108.800 -0.016 0.000 2.225 99 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.264 99 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.264 99 G C 0.457 175.284 174.900 -0.122 0.000 1.060 99 G CA 0.407 45.476 45.100 -0.052 0.000 0.833 99 G HN 0.474 nan 8.290 nan 0.000 0.498 100 Q N -2.132 117.605 119.800 -0.105 0.000 2.450 100 Q HA -0.216 4.124 4.340 -0.000 0.000 0.255 100 Q C 0.905 176.834 176.000 -0.118 0.000 1.003 100 Q CA 1.561 57.262 55.803 -0.170 0.000 1.097 100 Q CB -1.769 26.757 28.738 -0.354 0.000 1.544 100 Q HN 1.095 nan 8.270 nan 0.000 0.531 101 S N -0.766 114.901 115.700 -0.054 0.000 2.632 101 S HA 0.350 4.820 4.470 -0.000 0.000 0.267 101 S C 0.492 175.091 174.600 -0.001 0.000 1.276 101 S CA -0.383 57.771 58.200 -0.076 0.000 0.998 101 S CB 0.889 64.046 63.200 -0.072 0.000 0.953 101 S HN 0.277 nan 8.310 nan 0.000 0.547 102 Q N 0.849 120.617 119.800 -0.053 0.000 2.189 102 Q HA 0.374 4.713 4.340 -0.000 0.000 0.193 102 Q C -0.668 175.267 176.000 -0.109 0.000 1.034 102 Q CA -0.493 55.268 55.803 -0.069 0.000 1.062 102 Q CB 0.359 29.066 28.738 -0.051 0.000 1.118 102 Q HN 0.603 nan 8.270 nan 0.000 0.569 103 N N 0.419 119.048 118.700 -0.119 0.000 2.666 103 N HA 0.151 4.890 4.740 -0.000 0.000 0.253 103 N C -1.994 173.484 175.510 -0.055 0.000 1.621 103 N CA -0.126 52.865 53.050 -0.098 0.000 0.785 103 N CB 0.189 38.617 38.487 -0.098 0.000 1.332 103 N HN 0.361 nan 8.380 nan 0.000 0.514 104 N N 0.795 119.430 118.700 -0.108 0.000 2.342 104 N HA 0.346 5.086 4.740 -0.000 0.000 0.293 104 N C -1.321 174.088 175.510 -0.168 0.000 1.026 104 N CA -0.114 52.891 53.050 -0.074 0.000 0.857 104 N CB 0.831 39.261 38.487 -0.096 0.000 1.256 104 N HN 0.169 nan 8.380 nan 0.000 0.484 105 Y N 0.575 120.756 120.300 -0.198 0.000 2.420 105 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 105 Y C -0.191 175.613 175.900 -0.161 0.000 1.094 105 Y CA -1.042 56.946 58.100 -0.186 0.000 1.126 105 Y CB 1.539 39.852 38.460 -0.245 0.000 1.217 105 Y HN 0.334 nan 8.280 nan 0.000 0.462 106 L N 4.479 125.683 121.223 -0.033 0.000 2.377 106 L HA 0.499 4.839 4.340 -0.000 0.000 0.270 106 L C -0.711 176.136 176.870 -0.038 0.000 0.991 106 L CA -0.510 54.283 54.840 -0.079 0.000 0.851 106 L CB 0.389 42.346 42.059 -0.170 0.000 1.218 106 L HN 0.763 nan 8.230 nan 0.000 0.420 107 N N 4.033 122.737 118.700 0.007 0.000 2.783 107 N HA -0.180 4.560 4.740 -0.000 0.000 0.247 107 N C 0.906 176.478 175.510 0.104 0.000 1.089 107 N CA 1.169 54.246 53.050 0.045 0.000 0.690 107 N CB -1.360 37.110 38.487 -0.028 0.000 0.991 107 N HN 1.276 nan 8.380 nan 0.000 0.552 108 G N -1.286 107.620 108.800 0.178 0.000 2.162 108 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.260 108 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.260 108 G C -0.030 175.056 174.900 0.310 0.000 0.976 108 G CA 0.783 46.054 45.100 0.285 0.000 0.655 108 G HN 0.443 nan 8.290 nan 0.000 0.533 109 L N -0.489 120.856 121.223 0.203 0.000 2.354 109 L HA 0.629 4.969 4.340 -0.000 0.000 0.269 109 L C 0.369 177.201 176.870 -0.064 0.000 1.005 109 L CA -1.151 53.742 54.840 0.088 0.000 0.819 109 L CB 2.035 44.056 42.059 -0.064 0.000 1.311 109 L HN 0.143 nan 8.230 nan 0.000 0.423 110 K N 1.692 121.890 120.400 -0.336 0.000 2.118 110 K HA 0.453 4.772 4.320 -0.000 0.000 0.267 110 K C -0.660 175.652 176.600 -0.479 0.000 0.991 110 K CA -0.469 55.301 56.287 -0.862 0.000 0.916 110 K CB 1.046 32.858 32.500 -1.146 0.000 1.041 110 K HN 0.527 nan 8.250 nan 0.000 0.455 111 L N 4.631 125.583 121.223 -0.452 0.000 2.598 111 L HA 0.143 4.483 4.340 -0.000 0.000 0.241 111 L C 0.035 176.756 176.870 -0.249 0.000 1.244 111 L CA -0.466 54.205 54.840 -0.283 0.000 1.198 111 L CB 0.593 42.517 42.059 -0.224 0.000 1.448 111 L HN 0.584 nan 8.230 nan 0.000 0.406 112 Q N 1.772 121.425 119.800 -0.246 0.000 2.256 112 Q HA 0.069 4.408 4.340 -0.000 0.000 0.281 112 Q C 0.434 176.366 176.000 -0.113 0.000 1.162 112 Q CA 0.270 55.964 55.803 -0.182 0.000 0.943 112 Q CB 1.068 29.711 28.738 -0.158 0.000 1.195 112 Q HN 0.587 nan 8.270 nan 0.000 0.403 113 G N 2.711 111.457 108.800 -0.089 0.000 2.642 113 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 113 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 113 G C -0.499 174.398 174.900 -0.006 0.000 1.345 113 G CA -0.420 44.659 45.100 -0.036 0.000 1.043 113 G HN 0.664 nan 8.290 nan 0.000 0.528 114 N N -1.642 117.083 118.700 0.041 0.000 2.647 114 N HA 0.214 4.953 4.740 -0.000 0.000 0.259 114 N C -0.292 175.340 175.510 0.204 0.000 1.098 114 N CA -0.508 52.600 53.050 0.096 0.000 0.984 114 N CB 1.562 40.107 38.487 0.097 0.000 1.683 114 N HN 0.407 nan 8.380 nan 0.000 0.501 115 F N 2.087 122.015 119.950 -0.036 0.000 2.697 115 F HA -0.423 4.104 4.527 -0.000 0.000 0.250 115 F C 0.643 176.357 175.800 -0.143 0.000 1.066 115 F CA 1.804 59.761 58.000 -0.072 0.000 1.366 115 F CB -0.834 38.220 39.000 0.091 0.000 2.184 115 F HN 0.703 nan 8.300 nan 0.000 0.407 116 Y N 0.096 120.441 120.300 0.073 0.000 2.583 116 Y HA 0.103 4.652 4.550 -0.000 0.000 0.293 116 Y C 1.220 177.227 175.900 0.177 0.000 1.157 116 Y CA 0.987 59.106 58.100 0.031 0.000 1.315 116 Y CB -0.439 38.088 38.460 0.112 0.000 1.021 116 Y HN 0.190 nan 8.280 nan 0.000 0.536 117 N N 1.741 120.624 118.700 0.305 0.000 2.663 117 N HA 0.033 4.773 4.740 -0.000 0.000 0.250 117 N C -1.485 174.120 175.510 0.159 0.000 1.129 117 N CA 0.277 53.469 53.050 0.237 0.000 0.995 117 N CB -0.142 38.458 38.487 0.188 0.000 1.324 117 N HN 0.101 nan 8.380 nan 0.000 0.512 118 D N 0.590 121.127 120.400 0.230 0.000 2.780 118 D HA 0.437 5.077 4.640 -0.000 0.000 0.242 118 D C -0.746 175.662 176.300 0.180 0.000 1.135 118 D CA -0.387 53.708 54.000 0.157 0.000 0.859 118 D CB 2.187 43.041 40.800 0.091 0.000 1.530 118 D HN 0.392 nan 8.370 nan 0.000 0.493 119 A N 1.379 124.241 122.820 0.070 0.000 2.279 119 A HA 0.755 5.075 4.320 -0.000 0.000 0.303 119 A C -0.149 177.439 177.584 0.008 0.000 1.108 119 A CA -0.461 51.597 52.037 0.035 0.000 0.830 119 A CB 0.915 19.910 19.000 -0.007 0.000 1.106 119 A HN 0.383 nan 8.150 nan 0.000 0.493 120 V N -0.948 118.963 119.914 -0.004 0.000 2.962 120 V HA 0.754 4.874 4.120 -0.000 0.000 0.313 120 V C -0.853 175.205 176.094 -0.059 0.000 1.099 120 V CA -0.920 61.358 62.300 -0.037 0.000 0.971 120 V CB 1.737 33.537 31.823 -0.038 0.000 1.028 120 V HN 0.662 nan 8.190 nan 0.000 0.430 121 I N 1.935 122.420 120.570 -0.141 0.000 2.474 121 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 121 I C -0.233 175.829 176.117 -0.092 0.000 1.005 121 I CA -0.071 61.062 61.300 -0.279 0.000 1.113 121 I CB 1.773 39.481 38.000 -0.485 0.000 1.289 121 I HN 0.881 nan 8.210 nan 0.000 0.436 122 D N 8.043 128.478 120.400 0.059 0.000 2.351 122 D HA 0.137 4.777 4.640 -0.000 0.000 0.251 122 D C -1.515 174.800 176.300 0.025 0.000 1.137 122 D CA -1.422 52.619 54.000 0.069 0.000 0.879 122 D CB 2.215 43.101 40.800 0.143 0.000 1.181 122 D HN 0.244 nan 8.370 nan 0.000 0.448 123 P HA -0.222 nan 4.420 nan 0.000 0.217 123 P C 1.373 178.688 177.300 0.026 0.000 1.148 123 P CA 0.935 64.030 63.100 -0.009 0.000 0.828 123 P CB -0.084 31.608 31.700 -0.014 0.000 0.783 124 Y N 0.960 121.224 120.300 -0.061 0.000 2.556 124 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 124 Y C 1.886 177.747 175.900 -0.065 0.000 1.149 124 Y CA 1.203 59.261 58.100 -0.069 0.000 1.329 124 Y CB -0.523 37.888 38.460 -0.081 0.000 0.975 124 Y HN -0.133 nan 8.280 nan 0.000 0.561 125 M N -0.175 119.384 119.600 -0.068 0.000 2.383 125 M HA 0.249 4.729 4.480 -0.000 0.000 0.247 125 M C -0.481 175.736 176.300 -0.138 0.000 1.117 125 M CA 0.210 55.439 55.300 -0.118 0.000 0.995 125 M CB -0.564 32.073 32.600 0.063 0.000 1.480 125 M HN -0.028 nan 8.290 nan 0.000 0.485 126 L N 0.032 121.175 121.223 -0.133 0.000 2.334 126 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 126 L C 1.340 178.146 176.870 -0.107 0.000 1.036 126 L CA -0.282 54.488 54.840 -0.116 0.000 0.807 126 L CB 1.863 43.861 42.059 -0.102 0.000 1.231 126 L HN 0.084 nan 8.230 nan 0.000 0.438 127 E N 1.244 121.395 120.200 -0.081 0.000 2.190 127 E HA 0.064 4.413 4.350 -0.000 0.000 0.191 127 E C -0.362 176.203 176.600 -0.059 0.000 0.978 127 E CA 0.345 56.707 56.400 -0.064 0.000 0.839 127 E CB 0.548 30.228 29.700 -0.033 0.000 0.787 127 E HN 0.522 nan 8.360 nan 0.000 0.473 128 R N -1.636 118.827 120.500 -0.061 0.000 2.739 128 R HA 0.604 4.944 4.340 -0.000 0.000 0.266 128 R C -1.776 174.481 176.300 -0.071 0.000 1.044 128 R CA -0.748 55.313 56.100 -0.065 0.000 0.885 128 R CB 0.779 31.040 30.300 -0.064 0.000 1.260 128 R HN -0.039 nan 8.270 nan 0.000 0.477 129 A N 1.812 124.587 122.820 -0.076 0.000 2.311 129 A HA 0.519 4.839 4.320 -0.000 0.000 0.306 129 A C -0.701 176.830 177.584 -0.088 0.000 1.189 129 A CA -0.680 51.307 52.037 -0.083 0.000 0.791 129 A CB 1.100 20.051 19.000 -0.082 0.000 1.172 129 A HN 0.703 nan 8.150 nan 0.000 0.481 130 E N 1.644 121.786 120.200 -0.098 0.000 2.212 130 E HA 0.572 4.921 4.350 -0.000 0.000 0.270 130 E C -1.085 175.438 176.600 -0.128 0.000 0.956 130 E CA -0.765 55.568 56.400 -0.111 0.000 0.825 130 E CB 1.952 31.580 29.700 -0.121 0.000 1.167 130 E HN 0.463 nan 8.360 nan 0.000 0.400 131 I N 2.414 122.905 120.570 -0.131 0.000 2.499 131 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 131 I C -0.639 175.380 176.117 -0.164 0.000 1.048 131 I CA -0.467 60.745 61.300 -0.147 0.000 1.062 131 I CB 1.660 39.587 38.000 -0.121 0.000 1.238 131 I HN 0.555 nan 8.210 nan 0.000 0.426 132 M N 6.459 125.936 119.600 -0.205 0.000 2.167 132 M HA 0.437 4.917 4.480 -0.000 0.000 0.333 132 M C -0.545 175.628 176.300 -0.211 0.000 1.030 132 M CA -0.540 54.635 55.300 -0.209 0.000 0.963 132 M CB 1.301 33.751 32.600 -0.250 0.000 1.589 132 M HN 0.471 nan 8.290 nan 0.000 0.431 133 R N 2.754 123.139 120.500 -0.192 0.000 2.349 133 R HA 0.742 5.082 4.340 -0.000 0.000 0.299 133 R C 0.080 176.232 176.300 -0.247 0.000 1.027 133 R CA 0.812 56.780 56.100 -0.220 0.000 0.958 133 R CB 1.389 31.559 30.300 -0.217 0.000 1.047 133 R HN 1.004 nan 8.270 nan 0.000 0.468 134 G N 3.619 112.253 108.800 -0.277 0.000 2.685 134 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.387 134 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.387 134 G C -2.756 171.978 174.900 -0.276 0.000 1.324 134 G CA -1.332 43.596 45.100 -0.288 0.000 0.878 134 G HN 0.431 nan 8.290 nan 0.000 0.527 135 P HA 0.312 nan 4.420 nan 0.000 0.265 135 P C 0.879 178.025 177.300 -0.257 0.000 1.187 135 P CA 0.978 63.897 63.100 -0.301 0.000 0.766 135 P CB 0.951 32.430 31.700 -0.369 0.000 0.820 136 V N -0.738 119.044 119.914 -0.219 0.000 3.329 136 V HA 0.147 4.267 4.120 -0.000 0.000 0.317 136 V C 1.182 177.228 176.094 -0.081 0.000 1.495 136 V CA 0.385 62.597 62.300 -0.147 0.000 1.105 136 V CB -0.152 31.556 31.823 -0.191 0.000 0.985 136 V HN 0.267 nan 8.190 nan 0.000 0.475 137 S N 0.687 116.310 115.700 -0.128 0.000 2.419 137 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 137 S C 1.786 176.323 174.600 -0.106 0.000 1.016 137 S CA 1.718 59.875 58.200 -0.072 0.000 0.974 137 S CB 0.154 63.360 63.200 0.010 0.000 0.786 137 S HN 0.589 nan 8.310 nan 0.000 0.492 138 V N 0.784 120.602 119.914 -0.161 0.000 2.944 138 V HA -0.043 4.077 4.120 -0.000 0.000 0.265 138 V C 1.072 177.022 176.094 -0.240 0.000 1.125 138 V CA 1.528 63.723 62.300 -0.175 0.000 1.145 138 V CB -0.284 31.441 31.823 -0.162 0.000 0.725 138 V HN 0.494 nan 8.190 nan 0.000 0.510 139 L N -3.139 117.866 121.223 -0.363 0.000 3.467 139 L HA 0.236 4.576 4.340 -0.000 0.000 0.315 139 L C 0.898 177.169 176.870 -0.999 0.000 1.184 139 L CA 0.070 54.445 54.840 -0.775 0.000 1.124 139 L CB 0.539 42.132 42.059 -0.776 0.000 1.585 139 L HN 0.247 nan 8.230 nan 0.000 0.617 140 Y N -0.111 120.003 120.300 -0.309 0.000 2.527 140 Y HA 0.545 5.094 4.550 -0.000 0.000 0.247 140 Y C 1.374 177.231 175.900 -0.071 0.000 1.138 140 Y CA 0.133 58.103 58.100 -0.216 0.000 1.228 140 Y CB 0.927 39.160 38.460 -0.378 0.000 1.252 140 Y HN 0.091 nan 8.280 nan 0.000 0.531 141 G N 1.732 110.563 108.800 0.051 0.000 2.584 141 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.229 141 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.229 141 G C -0.463 174.380 174.900 -0.094 0.000 1.320 141 G CA -0.513 44.668 45.100 0.135 0.000 0.891 141 G HN 0.372 nan 8.290 nan 0.000 0.573 142 K N -0.749 119.435 120.400 -0.360 0.000 2.491 142 K HA 0.479 4.799 4.320 -0.000 0.000 0.279 142 K C 0.008 176.297 176.600 -0.518 0.000 1.026 142 K CA 0.801 56.443 56.287 -1.076 0.000 1.070 142 K CB 0.850 32.928 32.500 -0.703 0.000 0.887 142 K HN 1.422 nan 8.250 nan 0.000 0.481 143 S N 2.115 117.490 115.700 -0.540 0.000 2.558 143 S HA 0.141 4.611 4.470 -0.000 0.000 0.277 143 S C -1.084 173.347 174.600 -0.281 0.000 1.143 143 S CA -0.739 57.285 58.200 -0.292 0.000 0.865 143 S CB 1.490 64.574 63.200 -0.194 0.000 1.102 143 S HN 0.793 nan 8.310 nan 0.000 0.454 144 S N 4.481 120.055 115.700 -0.210 0.000 2.563 144 S HA 0.238 4.708 4.470 -0.000 0.000 0.294 144 S C -2.042 172.414 174.600 -0.240 0.000 1.279 144 S CA -0.429 57.654 58.200 -0.195 0.000 1.069 144 S CB -0.001 63.118 63.200 -0.136 0.000 0.828 144 S HN 0.576 nan 8.310 nan 0.000 0.497 145 P HA 0.078 nan 4.420 nan 0.000 0.267 145 P C 0.601 177.708 177.300 -0.322 0.000 1.201 145 P CA 0.804 63.663 63.100 -0.401 0.000 0.775 145 P CB -0.177 31.136 31.700 -0.645 0.000 0.854 146 G N 0.819 109.442 108.800 -0.296 0.000 2.247 146 G HA2 0.118 4.078 3.960 -0.000 0.000 0.265 146 G HA3 0.118 4.078 3.960 -0.000 0.000 0.265 146 G C 0.377 175.173 174.900 -0.173 0.000 0.861 146 G CA 0.178 45.141 45.100 -0.228 0.000 1.289 146 G HN 0.966 nan 8.290 nan 0.000 0.403 147 G N -0.440 108.238 108.800 -0.203 0.000 2.169 147 G HA2 0.602 4.562 3.960 -0.000 0.000 0.286 147 G HA3 0.602 4.562 3.960 -0.000 0.000 0.286 147 G C -1.124 173.648 174.900 -0.213 0.000 1.742 147 G CA -0.183 44.805 45.100 -0.187 0.000 0.904 147 G HN 1.638 nan 8.290 nan 0.000 0.735 148 L N 2.275 123.363 121.223 -0.226 0.000 2.735 148 L HA 0.723 5.063 4.340 -0.000 0.000 0.258 148 L C -2.056 174.670 176.870 -0.240 0.000 0.920 148 L CA -1.039 53.641 54.840 -0.267 0.000 0.958 148 L CB 1.830 43.610 42.059 -0.466 0.000 1.499 148 L HN 0.864 nan 8.230 nan 0.000 0.441 149 L N 4.211 125.335 121.223 -0.165 0.000 2.333 149 L HA 0.654 4.993 4.340 -0.000 0.000 0.280 149 L C -1.257 175.544 176.870 -0.115 0.000 1.004 149 L CA 0.172 54.929 54.840 -0.138 0.000 0.820 149 L CB 1.608 43.605 42.059 -0.102 0.000 1.247 149 L HN 0.678 nan 8.230 nan 0.000 0.416 150 N N 5.018 123.631 118.700 -0.144 0.000 2.483 150 N HA 0.556 5.296 4.740 -0.000 0.000 0.267 150 N C -1.314 174.150 175.510 -0.077 0.000 0.998 150 N CA -0.330 52.659 53.050 -0.103 0.000 0.918 150 N CB 1.085 39.469 38.487 -0.172 0.000 1.215 150 N HN 0.684 nan 8.380 nan 0.000 0.500 151 M N 1.630 121.191 119.600 -0.064 0.000 2.367 151 M HA 0.460 4.940 4.480 -0.000 0.000 0.339 151 M C -0.539 175.727 176.300 -0.057 0.000 1.177 151 M CA -0.895 54.358 55.300 -0.079 0.000 1.068 151 M CB 1.749 34.280 32.600 -0.115 0.000 1.602 151 M HN 0.078 nan 8.290 nan 0.000 0.457 152 V N 1.735 121.618 119.914 -0.053 0.000 2.407 152 V HA 0.291 4.410 4.120 -0.000 0.000 0.291 152 V C -0.196 175.869 176.094 -0.049 0.000 1.018 152 V CA -0.854 61.435 62.300 -0.017 0.000 0.842 152 V CB 1.397 33.236 31.823 0.027 0.000 0.996 152 V HN 0.947 nan 8.190 nan 0.000 0.426 153 S N 4.033 119.695 115.700 -0.063 0.000 2.563 153 S HA 0.141 4.610 4.470 -0.000 0.000 0.284 153 S C 0.259 174.828 174.600 -0.051 0.000 1.331 153 S CA -0.216 57.935 58.200 -0.083 0.000 1.047 153 S CB 0.291 63.438 63.200 -0.089 0.000 0.859 153 S HN 0.630 nan 8.310 nan 0.000 0.514 154 K N 2.296 122.656 120.400 -0.066 0.000 2.350 154 K HA 0.208 4.528 4.320 -0.000 0.000 0.279 154 K C 0.274 176.860 176.600 -0.023 0.000 1.027 154 K CA -0.308 55.945 56.287 -0.058 0.000 0.969 154 K CB 0.422 32.859 32.500 -0.104 0.000 0.954 154 K HN 0.392 nan 8.250 nan 0.000 0.474 155 R N 2.244 122.740 120.500 -0.006 0.000 2.797 155 R HA 0.417 4.757 4.340 -0.000 0.000 0.251 155 R C -2.495 173.814 176.300 0.014 0.000 1.107 155 R CA -2.589 53.519 56.100 0.015 0.000 1.084 155 R CB -0.190 30.120 30.300 0.018 0.000 1.205 155 R HN 0.383 nan 8.270 nan 0.000 0.515 156 P HA 0.032 nan 4.420 nan 0.000 0.268 156 P C -0.235 177.054 177.300 -0.017 0.000 1.204 156 P CA 0.277 63.377 63.100 -0.000 0.000 0.768 156 P CB 0.471 32.182 31.700 0.018 0.000 0.842 157 T N -1.592 112.940 114.554 -0.037 0.000 2.899 157 T HA 0.183 4.533 4.350 -0.000 0.000 0.284 157 T C 1.497 176.185 174.700 -0.021 0.000 1.004 157 T CA -0.106 61.980 62.100 -0.023 0.000 1.043 157 T CB 0.376 69.234 68.868 -0.018 0.000 1.013 157 T HN 0.464 nan 8.240 nan 0.000 0.518 158 T N -1.265 113.284 114.554 -0.010 0.000 2.915 158 T HA 0.054 4.404 4.350 -0.000 0.000 0.269 158 T C 0.425 175.123 174.700 -0.003 0.000 1.071 158 T CA 0.576 62.672 62.100 -0.007 0.000 1.132 158 T CB -0.365 68.501 68.868 -0.003 0.000 0.878 158 T HN 0.786 nan 8.240 nan 0.000 0.479 159 E N 1.175 121.375 120.200 0.001 0.000 2.359 159 E HA 0.464 4.814 4.350 -0.000 0.000 0.266 159 E C -2.989 173.617 176.600 0.010 0.000 0.920 159 E CA -3.077 53.329 56.400 0.010 0.000 0.788 159 E CB 1.573 31.284 29.700 0.018 0.000 1.279 159 E HN 0.069 nan 8.360 nan 0.000 0.438 160 P HA 0.017 nan 4.420 nan 0.000 0.267 160 P C -1.165 176.170 177.300 0.058 0.000 1.200 160 P CA -0.020 63.097 63.100 0.029 0.000 0.772 160 P CB 0.350 32.077 31.700 0.045 0.000 0.855 161 L N 2.680 123.952 121.223 0.083 0.000 2.528 161 L HA 0.406 4.746 4.340 -0.000 0.000 0.267 161 L C -1.110 175.930 176.870 0.283 0.000 0.961 161 L CA -0.134 54.797 54.840 0.152 0.000 0.866 161 L CB 1.496 43.622 42.059 0.112 0.000 1.248 161 L HN 0.161 nan 8.230 nan 0.000 0.404 162 K N 4.595 125.204 120.400 0.348 0.000 2.579 162 K HA 0.387 4.707 4.320 -0.000 0.000 0.225 162 K C -1.084 175.905 176.600 0.648 0.000 0.992 162 K CA -0.345 56.254 56.287 0.520 0.000 1.018 162 K CB 1.570 34.155 32.500 0.141 0.000 1.249 162 K HN 0.616 nan 8.250 nan 0.000 0.489 163 E N 2.415 122.999 120.200 0.640 0.000 2.183 163 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 163 E C -1.321 175.454 176.600 0.291 0.000 0.919 163 E CA -0.864 55.785 56.400 0.415 0.000 0.781 163 E CB 1.661 31.503 29.700 0.236 0.000 1.140 163 E HN 0.097 nan 8.360 nan 0.000 0.402 164 V N 4.185 124.294 119.914 0.325 0.000 2.638 164 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 164 V C -0.722 175.339 176.094 -0.055 0.000 1.052 164 V CA -0.659 61.716 62.300 0.125 0.000 0.885 164 V CB 1.871 33.820 31.823 0.210 0.000 0.999 164 V HN 0.728 nan 8.190 nan 0.000 0.424 165 Q N 2.938 122.527 119.800 -0.351 0.000 2.394 165 Q HA 0.722 5.062 4.340 -0.000 0.000 0.273 165 Q C -2.157 173.442 176.000 -0.669 0.000 1.089 165 Q CA -0.573 54.976 55.803 -0.424 0.000 0.812 165 Q CB 2.403 30.975 28.738 -0.276 0.000 1.353 165 Q HN 0.598 nan 8.270 nan 0.000 0.438 166 F N 1.633 121.575 119.950 -0.013 0.000 2.539 166 F HA 0.516 5.043 4.527 -0.000 0.000 0.318 166 F C -0.318 175.493 175.800 0.018 0.000 1.135 166 F CA -0.680 57.342 58.000 0.038 0.000 0.915 166 F CB 1.889 40.955 39.000 0.110 0.000 1.176 166 F HN 0.284 nan 8.300 nan 0.000 0.440 167 K N 2.016 122.548 120.400 0.220 0.000 2.259 167 K HA 0.960 5.280 4.320 -0.000 0.000 0.249 167 K C -1.175 175.538 176.600 0.189 0.000 0.942 167 K CA -1.178 55.188 56.287 0.133 0.000 0.816 167 K CB 2.521 35.039 32.500 0.030 0.000 1.155 167 K HN 0.673 nan 8.250 nan 0.000 0.428 168 A N 1.165 124.055 122.820 0.117 0.000 2.480 168 A HA 0.716 5.036 4.320 -0.000 0.000 0.289 168 A C -0.824 176.733 177.584 -0.046 0.000 1.044 168 A CA -0.394 51.687 52.037 0.073 0.000 0.761 168 A CB 1.568 20.710 19.000 0.236 0.000 1.289 168 A HN 0.791 nan 8.150 nan 0.000 0.401 169 G N -0.069 108.610 108.800 -0.202 0.000 2.782 169 G HA2 0.662 4.622 3.960 -0.000 0.000 0.304 169 G HA3 0.662 4.622 3.960 -0.000 0.000 0.304 169 G C -0.345 174.446 174.900 -0.181 0.000 1.315 169 G CA -0.059 44.959 45.100 -0.136 0.000 0.791 169 G HN 0.818 nan 8.290 nan 0.000 0.519 170 T N 1.243 115.731 114.554 -0.110 0.000 2.903 170 T HA 0.300 4.650 4.350 -0.000 0.000 0.314 170 T C -0.064 174.561 174.700 -0.124 0.000 1.078 170 T CA 1.085 63.128 62.100 -0.096 0.000 1.114 170 T CB 0.289 69.123 68.868 -0.055 0.000 0.987 170 T HN 0.606 nan 8.240 nan 0.000 0.548 171 D N 0.490 120.830 120.400 -0.099 0.000 2.800 171 D HA -0.171 4.468 4.640 -0.000 0.000 0.232 171 D C 0.381 176.603 176.300 -0.130 0.000 1.137 171 D CA 1.035 54.981 54.000 -0.090 0.000 0.718 171 D CB -1.610 39.145 40.800 -0.074 0.000 1.084 171 D HN 0.735 nan 8.370 nan 0.000 0.432 172 S N -1.872 113.708 115.700 -0.200 0.000 3.635 172 S HA -0.260 4.209 4.470 -0.000 0.000 0.328 172 S C 0.240 174.488 174.600 -0.585 0.000 1.135 172 S CA 0.584 58.593 58.200 -0.319 0.000 0.942 172 S CB -0.948 62.227 63.200 -0.041 0.000 0.930 172 S HN 0.519 nan 8.310 nan 0.000 0.512 173 L N 2.074 122.944 121.223 -0.589 0.000 2.361 173 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 173 L C -0.662 175.780 176.870 -0.712 0.000 1.113 173 L CA 0.567 55.127 54.840 -0.466 0.000 0.849 173 L CB -0.286 41.619 42.059 -0.256 0.000 1.155 173 L HN 0.101 nan 8.230 nan 0.000 0.452 174 F N 4.330 124.291 119.950 0.019 0.000 2.562 174 F HA 0.533 5.060 4.527 -0.000 0.000 0.319 174 F C -0.095 175.728 175.800 0.038 0.000 1.154 174 F CA -0.518 57.507 58.000 0.042 0.000 0.931 174 F CB 1.609 40.640 39.000 0.052 0.000 1.198 174 F HN 0.511 nan 8.300 nan 0.000 0.444 175 Q N 1.881 121.814 119.800 0.222 0.000 2.285 175 Q HA 0.501 4.841 4.340 -0.000 0.000 0.269 175 Q C -1.520 174.564 176.000 0.140 0.000 1.030 175 Q CA -0.457 55.416 55.803 0.116 0.000 0.788 175 Q CB 2.539 31.273 28.738 -0.006 0.000 1.266 175 Q HN 0.703 nan 8.270 nan 0.000 0.438 176 T N 2.066 116.699 114.554 0.130 0.000 2.840 176 T HA 0.826 5.176 4.350 -0.000 0.000 0.287 176 T C -0.804 173.886 174.700 -0.017 0.000 0.991 176 T CA -0.180 61.994 62.100 0.122 0.000 0.964 176 T CB 0.938 70.010 68.868 0.340 0.000 0.954 176 T HN 0.696 nan 8.240 nan 0.000 0.438 177 G N 3.568 112.250 108.800 -0.197 0.000 2.660 177 G HA2 0.755 4.715 3.960 -0.000 0.000 0.294 177 G HA3 0.755 4.715 3.960 -0.000 0.000 0.294 177 G C -1.432 173.415 174.900 -0.088 0.000 1.369 177 G CA -0.931 44.060 45.100 -0.181 0.000 0.912 177 G HN 0.747 nan 8.290 nan 0.000 0.479 178 F N -0.881 118.998 119.950 -0.118 0.000 2.631 178 F HA 0.879 5.405 4.527 -0.000 0.000 0.328 178 F C -1.210 174.445 175.800 -0.241 0.000 1.067 178 F CA -1.726 56.083 58.000 -0.318 0.000 0.969 178 F CB 2.706 41.313 39.000 -0.654 0.000 1.332 178 F HN 0.369 nan 8.300 nan 0.000 0.490 179 D N 1.361 121.523 120.400 -0.396 0.000 2.445 179 D HA 0.276 4.916 4.640 -0.000 0.000 0.236 179 D C -1.998 174.260 176.300 -0.071 0.000 1.315 179 D CA -0.115 53.723 54.000 -0.269 0.000 0.924 179 D CB 0.391 41.055 40.800 -0.227 0.000 1.447 179 D HN 0.345 nan 8.370 nan 0.000 0.532 180 F N 1.040 121.162 119.950 0.286 0.000 2.436 180 F HA 0.628 5.155 4.527 -0.000 0.000 0.340 180 F C 0.733 176.584 175.800 0.086 0.000 1.113 180 F CA -1.088 57.045 58.000 0.222 0.000 1.022 180 F CB 2.115 41.306 39.000 0.319 0.000 1.128 180 F HN 0.023 nan 8.300 nan 0.000 0.466 181 S N 2.492 118.247 115.700 0.091 0.000 2.571 181 S HA 0.632 5.102 4.470 -0.000 0.000 0.284 181 S C -1.556 172.803 174.600 -0.401 0.000 1.128 181 S CA -0.396 57.629 58.200 -0.293 0.000 0.970 181 S CB 1.211 64.340 63.200 -0.118 0.000 1.039 181 S HN 0.731 nan 8.310 nan 0.000 0.485 182 D N 1.070 120.964 120.400 -0.843 0.000 2.692 182 D HA 0.475 5.115 4.640 -0.000 0.000 0.303 182 D C -1.287 174.925 176.300 -0.147 0.000 1.278 182 D CA -0.277 53.519 54.000 -0.340 0.000 0.852 182 D CB 2.369 43.134 40.800 -0.059 0.000 1.375 182 D HN 0.482 nan 8.370 nan 0.000 0.453 183 S N 0.439 116.177 115.700 0.064 0.000 2.509 183 S HA 0.390 4.860 4.470 -0.000 0.000 0.297 183 S C 1.341 176.084 174.600 0.238 0.000 1.118 183 S CA -0.592 57.696 58.200 0.147 0.000 1.074 183 S CB 1.537 64.791 63.200 0.091 0.000 1.038 183 S HN 0.348 nan 8.310 nan 0.000 0.498 184 L N 1.347 122.750 121.223 0.300 0.000 2.341 184 L HA 0.126 4.465 4.340 -0.000 0.000 0.214 184 L C 0.726 177.737 176.870 0.235 0.000 1.115 184 L CA 0.678 55.690 54.840 0.287 0.000 0.820 184 L CB -0.122 42.135 42.059 0.329 0.000 0.944 184 L HN 0.688 nan 8.230 nan 0.000 0.452 185 D N -2.361 118.174 120.400 0.226 0.000 2.477 185 D HA 0.093 4.732 4.640 -0.000 0.000 0.234 185 D C -0.455 175.908 176.300 0.105 0.000 1.048 185 D CA -0.523 53.577 54.000 0.167 0.000 0.959 185 D CB 1.340 42.253 40.800 0.189 0.000 1.408 185 D HN -0.189 nan 8.370 nan 0.000 0.496 186 D N -0.282 120.164 120.400 0.077 0.000 2.363 186 D HA -0.005 4.634 4.640 -0.000 0.000 0.226 186 D C 0.192 176.511 176.300 0.031 0.000 1.020 186 D CA 0.447 54.478 54.000 0.052 0.000 0.892 186 D CB 0.341 41.168 40.800 0.045 0.000 0.900 186 D HN 0.371 nan 8.370 nan 0.000 0.531 187 D N -0.486 119.928 120.400 0.024 0.000 2.398 187 D HA 0.106 4.746 4.640 -0.000 0.000 0.210 187 D C 1.373 177.658 176.300 -0.025 0.000 1.094 187 D CA 0.155 54.151 54.000 -0.007 0.000 0.839 187 D CB 1.119 41.907 40.800 -0.021 0.000 0.963 187 D HN 0.179 nan 8.370 nan 0.000 0.506 188 G N 1.788 110.586 108.800 -0.004 0.000 2.179 188 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.257 188 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.257 188 G C 1.107 175.968 174.900 -0.065 0.000 1.010 188 G CA 0.574 45.666 45.100 -0.012 0.000 0.736 188 G HN 0.368 nan 8.290 nan 0.000 0.513 189 V N -1.243 118.588 119.914 -0.137 0.000 2.719 189 V HA 0.306 4.426 4.120 -0.000 0.000 0.252 189 V C 0.600 176.509 176.094 -0.308 0.000 1.065 189 V CA 1.217 63.333 62.300 -0.307 0.000 1.086 189 V CB -0.220 31.308 31.823 -0.492 0.000 0.700 189 V HN 0.411 nan 8.190 nan 0.000 0.467 190 Y N 0.549 120.914 120.300 0.109 0.000 2.338 190 Y HA 0.678 5.228 4.550 -0.000 0.000 0.333 190 Y C 0.117 176.039 175.900 0.036 0.000 0.968 190 Y CA -0.873 57.259 58.100 0.053 0.000 1.123 190 Y CB 1.798 40.353 38.460 0.158 0.000 1.165 190 Y HN 0.166 nan 8.280 nan 0.000 0.452 191 S N 2.377 118.131 115.700 0.089 0.000 2.556 191 S HA 0.836 5.306 4.470 -0.000 0.000 0.271 191 S C -1.423 173.281 174.600 0.173 0.000 1.135 191 S CA -0.833 57.445 58.200 0.130 0.000 0.858 191 S CB 1.949 65.169 63.200 0.034 0.000 1.114 191 S HN 0.601 nan 8.310 nan 0.000 0.468 192 Y N -0.078 120.321 120.300 0.164 0.000 2.944 192 Y HA 0.893 5.443 4.550 -0.000 0.000 0.312 192 Y C -0.496 175.529 175.900 0.208 0.000 1.417 192 Y CA -1.433 56.816 58.100 0.248 0.000 1.105 192 Y CB 1.004 39.673 38.460 0.349 0.000 1.364 192 Y HN 1.035 nan 8.280 nan 0.000 0.540 193 R N 1.192 121.931 120.500 0.399 0.000 2.868 193 R HA 0.499 4.838 4.340 -0.000 0.000 0.262 193 R C -2.869 173.665 176.300 0.389 0.000 1.163 193 R CA -0.533 55.715 56.100 0.247 0.000 1.105 193 R CB 1.216 31.579 30.300 0.105 0.000 1.270 193 R HN 0.839 nan 8.270 nan 0.000 0.437 194 L N 3.350 124.834 121.223 0.435 0.000 2.349 194 L HA 0.637 4.976 4.340 -0.000 0.000 0.278 194 L C -1.290 175.675 176.870 0.158 0.000 0.996 194 L CA 0.114 55.191 54.840 0.396 0.000 0.825 194 L CB 2.256 44.664 42.059 0.581 0.000 1.243 194 L HN 0.678 nan 8.230 nan 0.000 0.412 195 T N 3.557 118.060 114.554 -0.085 0.000 2.848 195 T HA 0.888 5.238 4.350 -0.000 0.000 0.285 195 T C -0.204 174.154 174.700 -0.570 0.000 0.995 195 T CA -0.540 61.295 62.100 -0.441 0.000 0.970 195 T CB 1.627 70.324 68.868 -0.285 0.000 0.976 195 T HN 0.834 nan 8.240 nan 0.000 0.441 196 G N 1.735 109.864 108.800 -1.120 0.000 2.692 196 G HA2 0.755 4.715 3.960 -0.000 0.000 0.291 196 G HA3 0.755 4.715 3.960 -0.000 0.000 0.291 196 G C -1.969 172.725 174.900 -0.344 0.000 1.423 196 G CA -0.892 43.842 45.100 -0.609 0.000 0.843 196 G HN 0.887 nan 8.290 nan 0.000 0.486 197 L N -2.181 119.008 121.223 -0.057 0.000 2.582 197 L HA 0.979 5.318 4.340 -0.000 0.000 0.257 197 L C -0.589 176.341 176.870 0.100 0.000 0.974 197 L CA -1.378 53.453 54.840 -0.014 0.000 0.851 197 L CB 1.747 43.743 42.059 -0.104 0.000 1.424 197 L HN 1.284 nan 8.230 nan 0.000 0.412 198 A N 1.955 124.850 122.820 0.126 0.000 2.340 198 A HA 0.873 5.193 4.320 -0.000 0.000 0.297 198 A C -0.843 176.800 177.584 0.098 0.000 1.195 198 A CA -0.562 51.612 52.037 0.229 0.000 0.769 198 A CB 1.033 20.233 19.000 0.334 0.000 1.163 198 A HN 0.817 nan 8.150 nan 0.000 0.472 199 R N 2.061 122.542 120.500 -0.032 0.000 2.561 199 R HA 0.678 5.018 4.340 -0.000 0.000 0.297 199 R C -1.567 174.687 176.300 -0.077 0.000 0.969 199 R CA -0.040 56.037 56.100 -0.038 0.000 0.879 199 R CB 1.860 32.116 30.300 -0.074 0.000 1.178 199 R HN 0.658 nan 8.270 nan 0.000 0.445 200 S N 2.347 118.060 115.700 0.021 0.000 2.538 200 S HA 0.879 5.349 4.470 -0.000 0.000 0.288 200 S C -1.699 172.912 174.600 0.019 0.000 1.108 200 S CA -0.167 58.052 58.200 0.032 0.000 0.971 200 S CB 1.591 64.871 63.200 0.135 0.000 1.041 200 S HN 0.853 nan 8.310 nan 0.000 0.483 201 A N 3.894 126.703 122.820 -0.017 0.000 2.597 201 A HA 0.576 4.896 4.320 -0.000 0.000 0.292 201 A C -1.368 176.197 177.584 -0.033 0.000 1.057 201 A CA -0.967 51.039 52.037 -0.052 0.000 0.674 201 A CB 0.930 19.877 19.000 -0.088 0.000 1.278 201 A HN 0.819 nan 8.150 nan 0.000 0.416 202 N N 0.649 119.326 118.700 -0.039 0.000 2.455 202 N HA 0.517 5.256 4.740 -0.000 0.000 0.280 202 N C 0.289 175.781 175.510 -0.030 0.000 1.055 202 N CA -0.147 52.891 53.050 -0.021 0.000 0.961 202 N CB 1.625 40.103 38.487 -0.016 0.000 1.121 202 N HN 0.931 nan 8.380 nan 0.000 0.476 203 A N 1.505 124.315 122.820 -0.016 0.000 2.386 203 A HA -0.041 4.279 4.320 -0.000 0.000 0.246 203 A C 1.308 178.868 177.584 -0.040 0.000 1.089 203 A CA -0.099 51.930 52.037 -0.013 0.000 0.790 203 A CB 0.362 19.378 19.000 0.026 0.000 1.042 203 A HN 0.879 nan 8.150 nan 0.000 0.497 204 Q N -0.297 119.473 119.800 -0.051 0.000 2.226 204 Q HA -0.153 4.186 4.340 -0.000 0.000 0.204 204 Q C 0.041 175.964 176.000 -0.129 0.000 0.975 204 Q CA 1.288 57.041 55.803 -0.084 0.000 0.866 204 Q CB -0.054 28.636 28.738 -0.080 0.000 0.915 204 Q HN 0.758 nan 8.270 nan 0.000 0.440 205 Q N 1.680 121.379 119.800 -0.169 0.000 2.303 205 Q HA 0.235 4.575 4.340 -0.000 0.000 0.257 205 Q C -0.814 175.105 176.000 -0.134 0.000 0.941 205 Q CA -0.262 55.398 55.803 -0.239 0.000 0.931 205 Q CB 1.137 29.578 28.738 -0.496 0.000 1.215 205 Q HN 0.039 nan 8.270 nan 0.000 0.437 206 K N 0.768 121.097 120.400 -0.119 0.000 2.550 206 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 206 K C 0.976 177.548 176.600 -0.047 0.000 0.987 206 K CA 1.363 57.610 56.287 -0.066 0.000 1.048 206 K CB 0.107 32.573 32.500 -0.057 0.000 0.879 206 K HN 1.022 nan 8.250 nan 0.000 0.491 207 G N 1.790 110.583 108.800 -0.011 0.000 2.241 207 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 207 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 207 G C 0.054 174.974 174.900 0.033 0.000 0.998 207 G CA 0.127 45.235 45.100 0.013 0.000 0.621 207 G HN 0.530 nan 8.290 nan 0.000 0.519 208 S N 1.120 116.839 115.700 0.032 0.000 2.489 208 S HA 0.643 5.113 4.470 -0.000 0.000 0.291 208 S C -0.104 174.516 174.600 0.034 0.000 1.151 208 S CA -0.469 57.766 58.200 0.058 0.000 1.082 208 S CB 1.754 65.022 63.200 0.113 0.000 1.019 208 S HN 0.508 nan 8.310 nan 0.000 0.492 209 E N 1.357 121.576 120.200 0.031 0.000 2.320 209 E HA 0.499 4.849 4.350 -0.000 0.000 0.264 209 E C -1.095 175.500 176.600 -0.008 0.000 0.923 209 E CA -0.864 55.543 56.400 0.012 0.000 0.796 209 E CB 1.695 31.406 29.700 0.018 0.000 1.262 209 E HN 0.498 nan 8.360 nan 0.000 0.428 210 E N 1.104 121.287 120.200 -0.029 0.000 2.241 210 E HA 0.249 4.599 4.350 -0.000 0.000 0.263 210 E C -1.306 175.244 176.600 -0.084 0.000 0.882 210 E CA -0.445 55.917 56.400 -0.063 0.000 0.769 210 E CB 1.856 31.515 29.700 -0.067 0.000 1.185 210 E HN 0.237 nan 8.360 nan 0.000 0.415 211 Q N 2.585 122.310 119.800 -0.125 0.000 2.292 211 Q HA 0.470 4.810 4.340 -0.000 0.000 0.270 211 Q C -1.037 174.755 176.000 -0.346 0.000 1.024 211 Q CA -0.597 55.075 55.803 -0.217 0.000 0.768 211 Q CB 3.047 31.691 28.738 -0.156 0.000 1.250 211 Q HN 0.298 nan 8.270 nan 0.000 0.447 212 R N 2.273 122.466 120.500 -0.511 0.000 2.604 212 R HA 0.522 4.862 4.340 -0.000 0.000 0.281 212 R C -1.889 174.017 176.300 -0.658 0.000 1.020 212 R CA -0.476 55.335 56.100 -0.482 0.000 0.899 212 R CB 1.375 31.543 30.300 -0.220 0.000 1.205 212 R HN 0.535 nan 8.270 nan 0.000 0.450 213 Y N 1.593 121.894 120.300 0.001 0.000 2.346 213 Y HA 0.685 5.234 4.550 -0.000 0.000 0.332 213 Y C -0.342 175.538 175.900 -0.033 0.000 0.985 213 Y CA -0.728 57.373 58.100 0.002 0.000 1.112 213 Y CB 2.388 40.857 38.460 0.015 0.000 1.170 213 Y HN 0.730 nan 8.280 nan 0.000 0.447 214 A N 3.969 126.834 122.820 0.074 0.000 2.449 214 A HA 0.885 5.204 4.320 -0.000 0.000 0.302 214 A C -1.679 175.855 177.584 -0.082 0.000 1.048 214 A CA -0.756 51.227 52.037 -0.090 0.000 0.708 214 A CB 1.578 20.505 19.000 -0.122 0.000 1.274 214 A HN 0.792 nan 8.150 nan 0.000 0.410 215 I N 1.200 121.675 120.570 -0.158 0.000 2.610 215 I HA 0.669 4.839 4.170 -0.000 0.000 0.289 215 I C -0.619 175.465 176.117 -0.055 0.000 1.163 215 I CA -0.532 60.749 61.300 -0.031 0.000 1.044 215 I CB 1.867 39.956 38.000 0.148 0.000 1.251 215 I HN 0.864 nan 8.210 nan 0.000 0.424 216 A N 8.264 131.091 122.820 0.012 0.000 2.323 216 A HA 0.799 5.119 4.320 -0.000 0.000 0.305 216 A C -2.881 174.783 177.584 0.134 0.000 1.275 216 A CA -1.459 50.625 52.037 0.078 0.000 0.804 216 A CB 0.724 19.828 19.000 0.174 0.000 1.152 216 A HN 0.381 nan 8.150 nan 0.000 0.487 217 P HA 0.541 nan 4.420 nan 0.000 0.297 217 P C -0.545 176.942 177.300 0.311 0.000 1.331 217 P CA -0.005 63.281 63.100 0.310 0.000 0.803 217 P CB 1.764 33.716 31.700 0.420 0.000 0.929 218 A N 3.644 126.677 122.820 0.355 0.000 2.374 218 A HA 0.803 5.122 4.320 -0.000 0.000 0.317 218 A C -1.623 176.304 177.584 0.572 0.000 1.094 218 A CA -0.550 51.710 52.037 0.371 0.000 0.765 218 A CB 0.828 19.949 19.000 0.202 0.000 1.268 218 A HN 0.439 nan 8.150 nan 0.000 0.438 219 F N 1.307 121.519 119.950 0.436 0.000 2.562 219 F HA 0.588 5.115 4.527 -0.000 0.000 0.319 219 F C -0.360 175.670 175.800 0.383 0.000 1.154 219 F CA -0.017 58.228 58.000 0.408 0.000 0.931 219 F CB 2.267 41.491 39.000 0.373 0.000 1.198 219 F HN 0.446 nan 8.300 nan 0.000 0.444 220 T N 5.385 119.866 114.554 -0.122 0.000 2.786 220 T HA 0.184 4.533 4.350 -0.000 0.000 0.283 220 T C -1.794 172.885 174.700 -0.035 0.000 0.992 220 T CA -0.205 61.890 62.100 -0.009 0.000 0.954 220 T CB 0.626 69.506 68.868 0.020 0.000 0.934 220 T HN 0.530 nan 8.240 nan 0.000 0.440 221 W N 5.193 126.483 121.300 -0.017 0.000 2.318 221 W HA 0.480 5.139 4.660 -0.000 0.000 0.315 221 W C -0.571 175.964 176.519 0.026 0.000 1.033 221 W CA -1.517 55.848 57.345 0.033 0.000 1.275 221 W CB 0.558 30.162 29.460 0.238 0.000 1.250 221 W HN 0.469 nan 8.180 nan 0.000 0.421 222 R N 7.062 127.431 120.500 -0.218 0.000 2.396 222 R HA 0.208 4.547 4.340 -0.000 0.000 0.292 222 R C -1.943 174.048 176.300 -0.517 0.000 1.240 222 R CA -1.503 54.381 56.100 -0.360 0.000 1.270 222 R CB 1.154 31.331 30.300 -0.205 0.000 1.108 222 R HN 0.228 nan 8.270 nan 0.000 0.573 223 P HA -0.144 nan 4.420 nan 0.000 0.231 223 P C -0.808 176.282 177.300 -0.350 0.000 1.158 223 P CA 1.193 63.918 63.100 -0.625 0.000 0.763 223 P CB 0.243 31.442 31.700 -0.835 0.000 0.805 224 D N -3.822 116.381 120.400 -0.328 0.000 2.893 224 D HA 0.013 4.652 4.640 -0.000 0.000 0.346 224 D C -0.824 175.346 176.300 -0.216 0.000 1.402 224 D CA -0.632 53.232 54.000 -0.226 0.000 0.815 224 D CB -0.575 40.100 40.800 -0.207 0.000 1.403 224 D HN -0.253 nan 8.370 nan 0.000 0.484 225 D N -1.355 118.944 120.400 -0.168 0.000 2.325 225 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 225 D C 0.315 176.512 176.300 -0.171 0.000 1.096 225 D CA -0.010 53.901 54.000 -0.147 0.000 0.844 225 D CB 0.044 40.785 40.800 -0.097 0.000 0.925 225 D HN 0.402 nan 8.370 nan 0.000 0.513 226 K N -0.657 119.596 120.400 -0.244 0.000 2.564 226 K HA 0.213 4.533 4.320 -0.000 0.000 0.201 226 K C -0.565 175.713 176.600 -0.537 0.000 1.086 226 K CA -0.206 55.902 56.287 -0.298 0.000 1.062 226 K CB 1.368 33.735 32.500 -0.222 0.000 0.849 226 K HN -0.084 nan 8.250 nan 0.000 0.529 227 T N 1.016 115.270 114.554 -0.501 0.000 3.109 227 T HA 0.238 4.588 4.350 -0.000 0.000 0.311 227 T C -1.612 172.854 174.700 -0.389 0.000 1.011 227 T CA -0.801 60.955 62.100 -0.573 0.000 1.026 227 T CB 1.396 69.894 68.868 -0.617 0.000 1.047 227 T HN 0.002 nan 8.240 nan 0.000 0.448 228 N N 2.538 121.030 118.700 -0.347 0.000 2.371 228 N HA 0.467 5.207 4.740 -0.000 0.000 0.291 228 N C -1.980 173.583 175.510 0.088 0.000 1.053 228 N CA -0.629 52.332 53.050 -0.148 0.000 0.870 228 N CB 1.619 40.001 38.487 -0.175 0.000 1.503 228 N HN 0.592 nan 8.380 nan 0.000 0.485 229 F N 2.832 122.904 119.950 0.203 0.000 2.513 229 F HA 0.436 4.963 4.527 -0.000 0.000 0.358 229 F C -0.861 175.144 175.800 0.342 0.000 1.118 229 F CA -0.250 58.018 58.000 0.447 0.000 1.037 229 F CB 1.094 40.462 39.000 0.614 0.000 1.276 229 F HN 0.173 nan 8.300 nan 0.000 0.446 230 T N 6.852 121.341 114.554 -0.108 0.000 2.771 230 T HA 0.277 4.626 4.350 -0.000 0.000 0.281 230 T C -0.904 173.744 174.700 -0.088 0.000 0.982 230 T CA -0.259 61.830 62.100 -0.018 0.000 0.978 230 T CB 0.632 69.501 68.868 0.002 0.000 0.930 230 T HN 0.430 nan 8.240 nan 0.000 0.447 231 F N 4.768 124.720 119.950 0.004 0.000 2.438 231 F HA 0.528 5.055 4.527 -0.000 0.000 0.356 231 F C -0.858 175.021 175.800 0.131 0.000 1.099 231 F CA -1.159 56.912 58.000 0.118 0.000 1.185 231 F CB 0.223 39.437 39.000 0.356 0.000 1.115 231 F HN 0.383 nan 8.300 nan 0.000 0.526 232 L N 7.009 127.950 121.223 -0.470 0.000 2.342 232 L HA 0.432 4.772 4.340 -0.000 0.000 0.276 232 L C -0.512 175.983 176.870 -0.625 0.000 0.997 232 L CA -0.563 54.026 54.840 -0.417 0.000 0.838 232 L CB 1.381 43.308 42.059 -0.219 0.000 1.224 232 L HN 0.726 nan 8.230 nan 0.000 0.416 233 S N 1.918 117.282 115.700 -0.561 0.000 2.600 233 S HA 0.755 5.225 4.470 -0.000 0.000 0.300 233 S C -1.256 173.138 174.600 -0.344 0.000 1.087 233 S CA -0.746 57.143 58.200 -0.518 0.000 0.965 233 S CB 2.470 65.430 63.200 -0.401 0.000 1.089 233 S HN 0.441 nan 8.310 nan 0.000 0.496 234 Y N 0.844 120.683 120.300 -0.769 0.000 2.358 234 Y HA 0.630 5.180 4.550 -0.000 0.000 0.324 234 Y C -2.373 173.054 175.900 -0.787 0.000 1.123 234 Y CA -1.326 56.438 58.100 -0.561 0.000 1.067 234 Y CB 1.273 39.542 38.460 -0.319 0.000 1.230 234 Y HN 0.768 nan 8.280 nan 0.000 0.429 235 F N 4.748 124.478 119.950 -0.367 0.000 2.539 235 F HA 0.565 5.092 4.527 -0.000 0.000 0.318 235 F C -0.448 175.123 175.800 -0.382 0.000 1.135 235 F CA -0.668 57.190 58.000 -0.236 0.000 0.915 235 F CB 2.189 41.139 39.000 -0.083 0.000 1.176 235 F HN 0.468 nan 8.300 nan 0.000 0.440 236 Q N 2.615 122.364 119.800 -0.086 0.000 2.379 236 Q HA 0.529 4.869 4.340 -0.000 0.000 0.278 236 Q C -1.987 174.042 176.000 0.049 0.000 1.068 236 Q CA -0.894 54.863 55.803 -0.077 0.000 0.816 236 Q CB 2.726 31.386 28.738 -0.129 0.000 1.387 236 Q HN 0.702 nan 8.270 nan 0.000 0.413 237 N N 1.715 120.464 118.700 0.083 0.000 2.352 237 N HA 0.295 5.035 4.740 -0.000 0.000 0.291 237 N C -2.012 173.538 175.510 0.067 0.000 1.040 237 N CA -0.281 52.838 53.050 0.114 0.000 0.864 237 N CB 1.887 40.487 38.487 0.189 0.000 1.440 237 N HN 0.564 nan 8.380 nan 0.000 0.483 238 E N 3.896 124.112 120.200 0.027 0.000 2.325 238 E HA 0.255 4.605 4.350 -0.000 0.000 0.248 238 E C -2.027 174.574 176.600 0.001 0.000 0.912 238 E CA -1.795 54.583 56.400 -0.036 0.000 0.782 238 E CB 2.102 31.763 29.700 -0.065 0.000 1.264 238 E HN 0.479 nan 8.360 nan 0.000 0.417 239 P HA -0.141 nan 4.420 nan 0.000 0.215 239 P C -0.278 177.032 177.300 0.017 0.000 1.157 239 P CA 1.199 64.321 63.100 0.037 0.000 0.863 239 P CB 0.414 32.154 31.700 0.068 0.000 0.787 240 E N -1.586 118.611 120.200 -0.005 0.000 2.241 240 E HA 0.163 4.513 4.350 -0.000 0.000 0.263 240 E C 0.284 176.855 176.600 -0.049 0.000 0.882 240 E CA 0.003 56.403 56.400 0.000 0.000 0.769 240 E CB 1.361 31.067 29.700 0.010 0.000 1.185 240 E HN 0.048 nan 8.360 nan 0.000 0.415 241 T N -0.527 113.981 114.554 -0.076 0.000 3.107 241 T HA 0.359 4.709 4.350 -0.000 0.000 0.249 241 T C 0.935 175.514 174.700 -0.202 0.000 1.096 241 T CA 0.474 62.453 62.100 -0.202 0.000 1.012 241 T CB 0.185 68.813 68.868 -0.400 0.000 0.977 241 T HN 0.718 nan 8.240 nan 0.000 0.527 242 G N 0.911 109.652 108.800 -0.097 0.000 2.500 242 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 242 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 242 G C -0.822 174.107 174.900 0.049 0.000 1.283 242 G CA -0.499 44.589 45.100 -0.020 0.000 0.960 242 G HN 0.600 nan 8.290 nan 0.000 0.528 243 Y N 0.029 120.326 120.300 -0.005 0.000 2.336 243 Y HA 0.584 5.134 4.550 -0.000 0.000 0.331 243 Y C 0.493 176.480 175.900 0.145 0.000 1.211 243 Y CA 0.322 58.463 58.100 0.069 0.000 1.346 243 Y CB 0.965 39.466 38.460 0.068 0.000 1.271 243 Y HN 0.890 nan 8.280 nan 0.000 0.538 244 Y N 4.237 124.118 120.300 -0.699 0.000 2.990 244 Y HA 0.394 4.944 4.550 -0.000 0.000 0.240 244 Y C 0.016 175.605 175.900 -0.518 0.000 1.060 244 Y CA -0.466 57.328 58.100 -0.511 0.000 1.167 244 Y CB 0.086 38.388 38.460 -0.264 0.000 1.242 244 Y HN 0.755 nan 8.280 nan 0.000 0.650 245 G N -0.036 108.014 108.800 -1.250 0.000 2.488 245 G HA2 0.384 4.344 3.960 -0.000 0.000 0.318 245 G HA3 0.384 4.344 3.960 -0.000 0.000 0.318 245 G C -1.204 173.874 174.900 0.297 0.000 1.188 245 G CA -0.395 44.460 45.100 -0.408 0.000 0.944 245 G HN 0.161 nan 8.290 nan 0.000 0.495 246 W N -0.238 121.218 121.300 0.261 0.000 2.496 246 W HA 0.684 5.344 4.660 -0.000 0.000 0.327 246 W C -0.327 176.288 176.519 0.160 0.000 1.086 246 W CA -1.034 56.427 57.345 0.194 0.000 1.222 246 W CB 1.027 30.635 29.460 0.248 0.000 1.304 246 W HN 0.108 nan 8.180 nan 0.000 0.547 247 L N 4.800 126.125 121.223 0.171 0.000 2.370 247 L HA 0.457 4.797 4.340 -0.000 0.000 0.266 247 L C -1.982 174.831 176.870 -0.095 0.000 1.002 247 L CA -2.188 52.713 54.840 0.101 0.000 0.818 247 L CB 2.827 44.915 42.059 0.048 0.000 1.325 247 L HN 0.032 nan 8.230 nan 0.000 0.418 248 P HA 0.063 nan 4.420 nan 0.000 0.272 248 P C -0.363 176.785 177.300 -0.253 0.000 1.223 248 P CA -0.438 62.582 63.100 -0.134 0.000 0.784 248 P CB 0.821 32.487 31.700 -0.057 0.000 0.923 249 K N 0.988 121.183 120.400 -0.341 0.000 2.217 249 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 249 K C -0.048 176.373 176.600 -0.299 0.000 1.051 249 K CA 1.069 57.114 56.287 -0.402 0.000 0.952 249 K CB -0.234 31.779 32.500 -0.813 0.000 0.736 249 K HN 0.296 nan 8.250 nan 0.000 0.453 250 E N 0.670 120.727 120.200 -0.239 0.000 1.941 250 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 250 E C 0.255 176.788 176.600 -0.112 0.000 1.113 250 E CA 0.395 56.704 56.400 -0.152 0.000 0.878 250 E CB 1.081 30.713 29.700 -0.114 0.000 1.070 250 E HN 0.501 nan 8.360 nan 0.000 0.399 251 G N 2.076 110.821 108.800 -0.093 0.000 2.421 251 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.188 251 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.188 251 G C 0.977 175.866 174.900 -0.018 0.000 1.001 251 G CA 0.296 45.367 45.100 -0.049 0.000 0.693 251 G HN 0.573 nan 8.290 nan 0.000 0.479 252 T N -2.178 112.262 114.554 -0.191 0.000 3.518 252 T HA 0.381 4.731 4.350 -0.000 0.000 0.211 252 T C 1.960 176.467 174.700 -0.323 0.000 0.940 252 T CA 1.519 63.311 62.100 -0.514 0.000 1.307 252 T CB -0.281 68.069 68.868 -0.864 0.000 1.392 252 T HN 0.436 nan 8.240 nan 0.000 0.382 253 V N 2.151 121.904 119.914 -0.268 0.000 2.358 253 V HA 0.085 4.205 4.120 -0.000 0.000 0.246 253 V C 1.104 177.180 176.094 -0.030 0.000 1.047 253 V CA 1.477 63.722 62.300 -0.092 0.000 1.035 253 V CB -0.742 31.087 31.823 0.010 0.000 0.658 253 V HN 0.566 nan 8.190 nan 0.000 0.452 254 E N -0.414 119.742 120.200 -0.074 0.000 2.235 254 E HA 0.387 4.737 4.350 -0.000 0.000 0.265 254 E C -2.653 173.925 176.600 -0.037 0.000 0.940 254 E CA -2.312 54.059 56.400 -0.049 0.000 0.819 254 E CB 1.361 31.007 29.700 -0.090 0.000 1.206 254 E HN 0.180 nan 8.360 nan 0.000 0.409 255 P HA 0.084 nan 4.420 nan 0.000 0.274 255 P C -0.649 176.638 177.300 -0.022 0.000 1.237 255 P CA -0.159 62.935 63.100 -0.010 0.000 0.793 255 P CB 0.589 32.285 31.700 -0.007 0.000 0.977 256 L N 3.354 124.566 121.223 -0.020 0.000 2.439 256 L HA 0.226 4.566 4.340 -0.000 0.000 0.259 256 L C -1.172 175.699 176.870 0.002 0.000 1.129 256 L CA -1.819 53.014 54.840 -0.011 0.000 0.803 256 L CB 0.469 42.514 42.059 -0.023 0.000 1.161 256 L HN 0.327 nan 8.230 nan 0.000 0.462 257 P HA -0.222 nan 4.420 nan 0.000 0.217 257 P C 0.832 178.146 177.300 0.023 0.000 1.162 257 P CA 1.540 64.666 63.100 0.042 0.000 0.901 257 P CB -0.136 31.624 31.700 0.100 0.000 0.793 258 N N -1.201 117.510 118.700 0.018 0.000 2.585 258 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 258 N C 1.357 176.851 175.510 -0.026 0.000 1.102 258 N CA 1.588 54.645 53.050 0.011 0.000 0.920 258 N CB -0.914 37.583 38.487 0.016 0.000 0.963 258 N HN 0.310 nan 8.380 nan 0.000 0.447 259 G N -0.042 108.741 108.800 -0.028 0.000 2.175 259 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.244 259 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.244 259 G C -0.034 174.834 174.900 -0.054 0.000 0.982 259 G CA 0.326 45.405 45.100 -0.034 0.000 0.641 259 G HN 0.493 nan 8.290 nan 0.000 0.527 260 K N -0.345 120.009 120.400 -0.077 0.000 2.210 260 K HA 0.819 5.139 4.320 -0.000 0.000 0.236 260 K C 0.394 176.977 176.600 -0.029 0.000 1.016 260 K CA -0.780 55.451 56.287 -0.093 0.000 0.913 260 K CB 1.114 33.519 32.500 -0.158 0.000 1.141 260 K HN 0.155 nan 8.250 nan 0.000 0.462 261 R N 0.583 121.102 120.500 0.033 0.000 2.744 261 R HA 0.369 4.709 4.340 -0.000 0.000 0.279 261 R C -0.722 175.716 176.300 0.229 0.000 0.977 261 R CA -0.872 55.315 56.100 0.144 0.000 0.906 261 R CB 1.262 31.712 30.300 0.251 0.000 1.197 261 R HN 0.377 nan 8.270 nan 0.000 0.463 262 L N 4.199 125.521 121.223 0.166 0.000 2.485 262 L HA 0.160 4.499 4.340 -0.000 0.000 0.275 262 L C -1.755 175.239 176.870 0.207 0.000 1.207 262 L CA -1.376 53.509 54.840 0.076 0.000 0.855 262 L CB 0.202 42.215 42.059 -0.077 0.000 1.114 262 L HN 0.278 nan 8.230 nan 0.000 0.485 263 P HA 0.029 nan 4.420 nan 0.000 0.275 263 P C 0.601 177.597 177.300 -0.507 0.000 1.228 263 P CA -0.408 62.388 63.100 -0.506 0.000 0.786 263 P CB 0.775 32.092 31.700 -0.638 0.000 0.927 264 T N -2.079 111.791 114.554 -1.140 0.000 2.969 264 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 264 T C 0.916 175.319 174.700 -0.494 0.000 1.127 264 T CA 1.509 62.757 62.100 -1.420 0.000 1.102 264 T CB -0.864 67.346 68.868 -1.096 0.000 0.855 264 T HN 0.533 nan 8.240 nan 0.000 0.536 265 D N -0.529 119.686 120.400 -0.308 0.000 2.395 265 D HA 0.061 4.701 4.640 -0.000 0.000 0.213 265 D C 0.236 176.469 176.300 -0.111 0.000 1.110 265 D CA -0.876 53.015 54.000 -0.182 0.000 0.835 265 D CB -0.612 40.093 40.800 -0.158 0.000 0.965 265 D HN 0.425 nan 8.370 nan 0.000 0.505 266 F N 2.461 122.333 119.950 -0.131 0.000 2.572 266 F HA 0.268 4.795 4.527 -0.000 0.000 0.370 266 F C 0.021 175.781 175.800 -0.065 0.000 1.103 266 F CA -0.344 57.618 58.000 -0.064 0.000 1.286 266 F CB 0.542 39.565 39.000 0.038 0.000 1.105 266 F HN -0.186 nan 8.300 nan 0.000 0.583 267 N N 4.092 122.082 118.700 -1.184 0.000 2.346 267 N HA 0.181 4.921 4.740 -0.000 0.000 0.289 267 N C -0.712 174.183 175.510 -1.025 0.000 1.027 267 N CA -0.564 51.983 53.050 -0.838 0.000 0.864 267 N CB 1.477 39.738 38.487 -0.377 0.000 1.370 267 N HN 0.628 nan 8.380 nan 0.000 0.481 268 E N 0.899 120.797 120.200 -0.504 0.000 2.451 268 E HA 0.327 4.676 4.350 -0.000 0.000 0.194 268 E C 0.778 177.393 176.600 0.023 0.000 1.027 268 E CA -0.679 55.639 56.400 -0.138 0.000 0.914 268 E CB 0.179 30.001 29.700 0.204 0.000 1.054 268 E HN 0.490 nan 8.360 nan 0.000 0.461 269 G N 0.216 109.031 108.800 0.025 0.000 2.509 269 G HA2 0.608 4.568 3.960 -0.000 0.000 0.328 269 G HA3 0.608 4.568 3.960 -0.000 0.000 0.328 269 G C -0.372 174.564 174.900 0.059 0.000 1.194 269 G CA -0.768 44.374 45.100 0.069 0.000 0.967 269 G HN 0.293 nan 8.290 nan 0.000 0.488 270 A N -0.032 122.833 122.820 0.077 0.000 2.520 270 A HA 0.244 4.564 4.320 -0.000 0.000 0.235 270 A C 1.630 179.291 177.584 0.128 0.000 1.065 270 A CA 0.448 52.549 52.037 0.107 0.000 0.764 270 A CB 0.260 19.356 19.000 0.160 0.000 1.002 270 A HN 0.840 nan 8.150 nan 0.000 0.502 271 K N 0.982 121.446 120.400 0.107 0.000 2.280 271 K HA -0.156 4.163 4.320 -0.000 0.000 0.202 271 K C 0.559 177.225 176.600 0.110 0.000 1.047 271 K CA 1.692 58.032 56.287 0.088 0.000 0.942 271 K CB -0.121 32.421 32.500 0.070 0.000 0.739 271 K HN 0.859 nan 8.250 nan 0.000 0.457 272 N N 0.581 119.381 118.700 0.167 0.000 2.453 272 N HA -0.000 4.739 4.740 -0.000 0.000 0.270 272 N C -1.017 174.614 175.510 0.202 0.000 1.195 272 N CA -0.352 52.804 53.050 0.177 0.000 0.902 272 N CB -0.227 38.384 38.487 0.207 0.000 1.186 272 N HN -0.042 nan 8.380 nan 0.000 0.510 273 N N 0.304 119.113 118.700 0.181 0.000 2.513 273 N HA 0.185 4.924 4.740 -0.000 0.000 0.268 273 N C -0.887 174.638 175.510 0.026 0.000 1.180 273 N CA 0.443 53.573 53.050 0.132 0.000 0.948 273 N CB 1.115 39.704 38.487 0.169 0.000 1.083 273 N HN 0.206 nan 8.380 nan 0.000 0.455 274 T N 1.845 116.348 114.554 -0.085 0.000 2.909 274 T HA 0.491 4.841 4.350 -0.000 0.000 0.299 274 T C -1.988 172.667 174.700 -0.074 0.000 1.073 274 T CA -0.391 61.669 62.100 -0.066 0.000 0.999 274 T CB 0.312 69.109 68.868 -0.119 0.000 1.098 274 T HN 0.306 nan 8.240 nan 0.000 0.477 275 Y N 2.882 123.112 120.300 -0.117 0.000 2.307 275 Y HA 0.538 5.088 4.550 -0.000 0.000 0.323 275 Y C -0.429 175.397 175.900 -0.124 0.000 1.100 275 Y CA -0.798 57.217 58.100 -0.143 0.000 1.140 275 Y CB 1.640 40.009 38.460 -0.152 0.000 1.159 275 Y HN 0.735 nan 8.280 nan 0.000 0.436 276 S N 5.696 121.459 115.700 0.106 0.000 2.568 276 S HA 0.875 5.345 4.470 -0.000 0.000 0.293 276 S C -1.194 173.453 174.600 0.078 0.000 1.089 276 S CA -0.979 57.264 58.200 0.071 0.000 0.945 276 S CB 2.850 66.059 63.200 0.016 0.000 1.077 276 S HN 0.775 nan 8.310 nan 0.000 0.485 277 R N 1.615 122.146 120.500 0.052 0.000 2.604 277 R HA 0.457 4.797 4.340 -0.000 0.000 0.281 277 R C -1.821 174.507 176.300 0.046 0.000 1.020 277 R CA -0.470 55.661 56.100 0.051 0.000 0.899 277 R CB 1.576 31.891 30.300 0.025 0.000 1.205 277 R HN 0.860 nan 8.270 nan 0.000 0.450 278 N N 2.743 121.478 118.700 0.059 0.000 2.346 278 N HA 0.217 4.957 4.740 -0.000 0.000 0.289 278 N C -1.537 174.019 175.510 0.077 0.000 1.027 278 N CA -0.350 52.740 53.050 0.068 0.000 0.864 278 N CB 1.936 40.464 38.487 0.068 0.000 1.370 278 N HN 0.611 nan 8.380 nan 0.000 0.481 279 E N 2.264 122.517 120.200 0.089 0.000 2.210 279 E HA 0.402 4.752 4.350 -0.000 0.000 0.266 279 E C -1.119 175.563 176.600 0.137 0.000 0.883 279 E CA -0.587 55.873 56.400 0.100 0.000 0.761 279 E CB 2.324 32.100 29.700 0.126 0.000 1.156 279 E HN 0.302 nan 8.360 nan 0.000 0.412 280 K N 3.631 124.110 120.400 0.133 0.000 2.565 280 K HA 0.481 4.801 4.320 -0.000 0.000 0.249 280 K C -1.049 175.595 176.600 0.072 0.000 0.958 280 K CA -0.407 56.021 56.287 0.235 0.000 0.806 280 K CB 1.521 34.230 32.500 0.348 0.000 1.194 280 K HN 0.495 nan 8.250 nan 0.000 0.434 281 M N 0.564 120.083 119.600 -0.135 0.000 2.421 281 M HA 0.590 5.070 4.480 -0.000 0.000 0.287 281 M C -0.976 175.192 176.300 -0.221 0.000 1.183 281 M CA -1.234 53.986 55.300 -0.132 0.000 0.916 281 M CB 1.888 34.401 32.600 -0.144 0.000 1.701 281 M HN 0.225 nan 8.290 nan 0.000 0.470 282 V N -0.585 119.335 119.914 0.009 0.000 2.789 282 V HA 1.116 5.236 4.120 -0.000 0.000 0.311 282 V C -0.350 175.755 176.094 0.019 0.000 1.073 282 V CA 0.388 62.694 62.300 0.010 0.000 0.921 282 V CB 1.252 33.278 31.823 0.339 0.000 1.009 282 V HN 1.311 nan 8.190 nan 0.000 0.426 283 G N 2.313 111.030 108.800 -0.138 0.000 2.494 283 G HA2 0.746 4.706 3.960 -0.000 0.000 0.308 283 G HA3 0.746 4.706 3.960 -0.000 0.000 0.308 283 G C -1.655 173.209 174.900 -0.060 0.000 1.263 283 G CA 0.042 45.076 45.100 -0.110 0.000 0.840 283 G HN 2.233 nan 8.290 nan 0.000 0.479 284 Y N -2.154 118.096 120.300 -0.083 0.000 2.662 284 Y HA 0.820 5.370 4.550 -0.000 0.000 0.334 284 Y C -0.889 174.908 175.900 -0.171 0.000 1.185 284 Y CA -1.271 56.712 58.100 -0.195 0.000 1.074 284 Y CB 1.226 39.484 38.460 -0.336 0.000 1.330 284 Y HN 0.862 nan 8.280 nan 0.000 0.458 285 S N 2.569 118.298 115.700 0.049 0.000 2.519 285 S HA 0.765 5.234 4.470 -0.000 0.000 0.309 285 S C -1.919 172.735 174.600 0.090 0.000 1.100 285 S CA -0.471 57.740 58.200 0.019 0.000 1.059 285 S CB 0.330 63.443 63.200 -0.143 0.000 1.008 285 S HN 0.697 nan 8.310 nan 0.000 0.478 286 F N 5.280 125.251 119.950 0.036 0.000 2.556 286 F HA 0.638 5.164 4.527 -0.000 0.000 0.314 286 F C -1.255 174.550 175.800 0.009 0.000 1.106 286 F CA -0.762 57.288 58.000 0.084 0.000 0.911 286 F CB 1.570 40.751 39.000 0.301 0.000 1.190 286 F HN 0.633 nan 8.300 nan 0.000 0.448 287 D N 3.487 123.350 120.400 -0.895 0.000 2.661 287 D HA 0.284 4.924 4.640 -0.000 0.000 0.228 287 D C -2.011 173.730 176.300 -0.932 0.000 1.183 287 D CA -0.337 53.220 54.000 -0.739 0.000 0.844 287 D CB 2.300 42.824 40.800 -0.459 0.000 1.555 287 D HN 0.666 nan 8.370 nan 0.000 0.453 288 H N 0.102 118.720 119.070 -0.753 0.000 3.026 288 H HA 0.268 4.824 4.556 -0.000 0.000 0.352 288 H C -1.665 173.317 175.328 -0.577 0.000 1.090 288 H CA -0.380 55.267 56.048 -0.669 0.000 1.268 288 H CB 2.059 31.401 29.762 -0.699 0.000 1.816 288 H HN 0.648 nan 8.280 nan 0.000 0.518 289 E N 5.085 125.268 120.200 -0.027 0.000 2.055 289 E HA 0.154 4.504 4.350 -0.000 0.000 0.274 289 E C -0.027 176.697 176.600 0.207 0.000 0.949 289 E CA -0.505 55.904 56.400 0.015 0.000 0.775 289 E CB 0.368 30.050 29.700 -0.030 0.000 1.097 289 E HN 0.383 nan 8.360 nan 0.000 0.404 290 F N 3.565 123.680 119.950 0.274 0.000 2.163 290 F HA -0.007 4.519 4.527 -0.000 0.000 0.297 290 F C 1.044 176.945 175.800 0.168 0.000 1.094 290 F CA 0.873 58.989 58.000 0.194 0.000 1.290 290 F CB -0.267 38.789 39.000 0.094 0.000 1.017 290 F HN 0.572 nan 8.300 nan 0.000 0.483 291 N N -2.791 116.109 118.700 0.332 0.000 3.517 291 N HA 0.065 4.805 4.740 -0.000 0.000 0.329 291 N C -0.329 175.252 175.510 0.118 0.000 1.569 291 N CA -0.331 52.836 53.050 0.194 0.000 0.852 291 N CB -0.050 38.546 38.487 0.181 0.000 1.955 291 N HN -0.246 nan 8.380 nan 0.000 0.555 292 D N -1.219 119.219 120.400 0.064 0.000 2.378 292 D HA -0.051 4.589 4.640 -0.000 0.000 0.222 292 D C 0.376 176.669 176.300 -0.011 0.000 0.980 292 D CA 1.376 55.390 54.000 0.024 0.000 0.907 292 D CB 0.097 40.904 40.800 0.012 0.000 0.899 292 D HN 0.600 nan 8.370 nan 0.000 0.527 293 T N -1.304 113.222 114.554 -0.046 0.000 3.010 293 T HA 0.092 4.441 4.350 -0.000 0.000 0.252 293 T C -0.293 174.287 174.700 -0.199 0.000 0.963 293 T CA -0.260 61.729 62.100 -0.186 0.000 0.952 293 T CB 0.279 68.930 68.868 -0.361 0.000 1.182 293 T HN -0.195 nan 8.240 nan 0.000 0.495 294 F N 2.153 122.200 119.950 0.163 0.000 2.436 294 F HA 0.678 5.205 4.527 -0.000 0.000 0.340 294 F C 0.216 176.123 175.800 0.178 0.000 1.113 294 F CA -0.782 57.339 58.000 0.202 0.000 1.022 294 F CB 1.965 41.129 39.000 0.274 0.000 1.128 294 F HN -0.160 nan 8.300 nan 0.000 0.466 295 T N 2.761 117.510 114.554 0.326 0.000 2.952 295 T HA 0.541 4.891 4.350 -0.000 0.000 0.305 295 T C -1.462 173.263 174.700 0.043 0.000 1.064 295 T CA -0.636 61.510 62.100 0.076 0.000 1.008 295 T CB 2.067 70.963 68.868 0.046 0.000 1.078 295 T HN 0.429 nan 8.240 nan 0.000 0.459 296 V N 4.188 124.028 119.914 -0.125 0.000 2.735 296 V HA 0.899 5.019 4.120 -0.000 0.000 0.310 296 V C -1.297 174.761 176.094 -0.060 0.000 1.061 296 V CA -0.887 61.400 62.300 -0.022 0.000 0.913 296 V CB 1.700 33.561 31.823 0.064 0.000 1.005 296 V HN 0.956 nan 8.190 nan 0.000 0.428 297 R N 4.803 125.321 120.500 0.030 0.000 2.651 297 R HA 0.712 5.052 4.340 -0.000 0.000 0.278 297 R C -1.386 175.008 176.300 0.155 0.000 1.010 297 R CA -0.826 55.285 56.100 0.019 0.000 0.896 297 R CB 2.076 32.321 30.300 -0.092 0.000 1.211 297 R HN 0.686 nan 8.270 nan 0.000 0.456 298 Q N 2.397 122.360 119.800 0.270 0.000 2.331 298 Q HA 0.381 4.720 4.340 -0.000 0.000 0.272 298 Q C -1.513 174.637 176.000 0.250 0.000 1.062 298 Q CA -0.905 55.074 55.803 0.294 0.000 0.806 298 Q CB 2.271 31.257 28.738 0.413 0.000 1.312 298 Q HN 0.703 nan 8.270 nan 0.000 0.431 299 N N 3.829 122.593 118.700 0.107 0.000 2.354 299 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 299 N C -1.449 173.960 175.510 -0.168 0.000 1.016 299 N CA -0.308 52.726 53.050 -0.027 0.000 0.871 299 N CB 1.973 40.449 38.487 -0.018 0.000 1.299 299 N HN 0.628 nan 8.380 nan 0.000 0.482 300 L N 1.482 122.442 121.223 -0.438 0.000 2.422 300 L HA 0.680 5.020 4.340 -0.000 0.000 0.264 300 L C -1.084 175.505 176.870 -0.468 0.000 0.984 300 L CA -0.688 53.832 54.840 -0.533 0.000 0.819 300 L CB 2.405 44.035 42.059 -0.716 0.000 1.330 300 L HN 0.545 nan 8.230 nan 0.000 0.410 301 R N 3.377 123.654 120.500 -0.372 0.000 2.643 301 R HA 0.524 4.864 4.340 -0.000 0.000 0.269 301 R C -2.366 173.891 176.300 -0.072 0.000 1.037 301 R CA -0.545 55.433 56.100 -0.202 0.000 0.894 301 R CB 1.941 32.118 30.300 -0.206 0.000 1.238 301 R HN 0.593 nan 8.270 nan 0.000 0.459 302 F N 2.501 122.447 119.950 -0.006 0.000 2.556 302 F HA 0.820 5.347 4.527 -0.000 0.000 0.314 302 F C -1.646 174.207 175.800 0.088 0.000 1.106 302 F CA -0.269 57.821 58.000 0.149 0.000 0.911 302 F CB 2.368 41.562 39.000 0.324 0.000 1.190 302 F HN 0.703 nan 8.300 nan 0.000 0.448 303 A N 4.739 126.950 122.820 -1.016 0.000 2.488 303 A HA 0.584 4.903 4.320 -0.000 0.000 0.298 303 A C -1.653 175.534 177.584 -0.661 0.000 1.044 303 A CA -0.674 50.992 52.037 -0.617 0.000 0.693 303 A CB 1.540 20.367 19.000 -0.287 0.000 1.272 303 A HN 0.803 nan 8.150 nan 0.000 0.402 304 E N 2.190 122.221 120.200 -0.283 0.000 2.165 304 E HA 0.481 4.831 4.350 -0.000 0.000 0.266 304 E C -1.271 175.323 176.600 -0.010 0.000 0.889 304 E CA -0.662 55.681 56.400 -0.096 0.000 0.756 304 E CB 0.831 30.586 29.700 0.092 0.000 1.131 304 E HN 0.633 nan 8.360 nan 0.000 0.411 305 N N 3.768 122.466 118.700 -0.003 0.000 2.258 305 N HA 0.376 5.116 4.740 -0.000 0.000 0.299 305 N C -1.266 174.278 175.510 0.057 0.000 1.047 305 N CA -0.639 52.431 53.050 0.033 0.000 0.814 305 N CB 2.021 40.522 38.487 0.022 0.000 1.413 305 N HN 0.407 nan 8.380 nan 0.000 0.478 306 K N 0.016 120.456 120.400 0.067 0.000 2.340 306 K HA 0.725 5.045 4.320 -0.000 0.000 0.244 306 K C -0.641 176.003 176.600 0.074 0.000 0.973 306 K CA -0.734 55.594 56.287 0.069 0.000 0.828 306 K CB 2.371 34.906 32.500 0.059 0.000 1.226 306 K HN 0.403 nan 8.250 nan 0.000 0.437 307 T N -0.035 114.562 114.554 0.072 0.000 2.957 307 T HA 0.494 4.844 4.350 -0.000 0.000 0.336 307 T C -1.985 172.713 174.700 -0.003 0.000 1.462 307 T CA -0.616 61.521 62.100 0.062 0.000 1.073 307 T CB 1.133 70.083 68.868 0.136 0.000 1.319 307 T HN 0.714 nan 8.240 nan 0.000 0.485 308 S N 3.188 118.833 115.700 -0.092 0.000 2.550 308 S HA 0.839 5.309 4.470 -0.000 0.000 0.270 308 S C -1.441 172.933 174.600 -0.378 0.000 1.145 308 S CA -0.834 57.252 58.200 -0.189 0.000 0.852 308 S CB 2.063 65.195 63.200 -0.113 0.000 1.119 308 S HN 1.108 nan 8.310 nan 0.000 0.465 309 Q N 0.838 120.349 119.800 -0.482 0.000 2.482 309 Q HA 0.544 4.884 4.340 -0.000 0.000 0.286 309 Q C -1.985 173.714 176.000 -0.501 0.000 1.007 309 Q CA -0.975 54.458 55.803 -0.617 0.000 0.801 309 Q CB 1.466 29.494 28.738 -1.184 0.000 1.455 309 Q HN 0.760 nan 8.270 nan 0.000 0.398 310 N N 0.517 118.894 118.700 -0.539 0.000 2.664 310 N HA 0.389 5.129 4.740 -0.000 0.000 0.257 310 N C -1.764 173.414 175.510 -0.552 0.000 1.108 310 N CA -0.259 52.260 53.050 -0.885 0.000 0.822 310 N CB 1.846 39.553 38.487 -1.300 0.000 1.199 310 N HN 0.445 nan 8.380 nan 0.000 0.529 311 S N 1.197 116.822 115.700 -0.126 0.000 2.594 311 S HA 0.346 4.816 4.470 -0.000 0.000 0.296 311 S C -0.306 174.507 174.600 0.355 0.000 1.124 311 S CA -0.553 57.739 58.200 0.154 0.000 1.011 311 S CB 2.022 65.266 63.200 0.074 0.000 1.016 311 S HN 0.095 nan 8.310 nan 0.000 0.485 312 V N 5.391 125.471 119.914 0.277 0.000 2.333 312 V HA 0.405 4.525 4.120 -0.000 0.000 0.274 312 V C -0.683 175.473 176.094 0.103 0.000 1.028 312 V CA -0.548 61.777 62.300 0.042 0.000 0.851 312 V CB -0.323 31.372 31.823 -0.214 0.000 1.000 312 V HN 0.830 nan 8.190 nan 0.000 0.456 313 Y N 2.767 123.051 120.300 -0.027 0.000 2.528 313 Y HA 0.920 5.470 4.550 -0.000 0.000 0.335 313 Y C 0.468 176.383 175.900 0.024 0.000 1.093 313 Y CA -1.542 56.523 58.100 -0.058 0.000 1.134 313 Y CB 1.152 39.442 38.460 -0.283 0.000 1.253 313 Y HN 0.577 nan 8.280 nan 0.000 0.478 314 G N 0.813 109.749 108.800 0.226 0.000 2.400 314 G HA2 0.370 4.330 3.960 -0.000 0.000 0.301 314 G HA3 0.370 4.330 3.960 -0.000 0.000 0.301 314 G C -1.457 173.719 174.900 0.460 0.000 1.154 314 G CA -0.296 44.953 45.100 0.248 0.000 0.852 314 G HN 0.668 nan 8.290 nan 0.000 0.511 315 Y N 0.902 121.309 120.300 0.179 0.000 3.037 315 Y HA 0.605 5.155 4.550 -0.000 0.000 0.429 315 Y C 1.480 177.528 175.900 0.245 0.000 1.246 315 Y CA 0.398 58.656 58.100 0.263 0.000 1.543 315 Y CB 0.234 38.719 38.460 0.041 0.000 1.485 315 Y HN 0.655 nan 8.280 nan 0.000 0.825 316 G N -0.326 108.585 108.800 0.186 0.000 2.568 316 G HA2 0.478 4.438 3.960 -0.000 0.000 0.293 316 G HA3 0.478 4.438 3.960 -0.000 0.000 0.293 316 G C -1.076 173.898 174.900 0.123 0.000 1.347 316 G CA -0.184 45.000 45.100 0.141 0.000 1.039 316 G HN 0.548 nan 8.290 nan 0.000 0.523 317 V N -2.554 117.403 119.914 0.072 0.000 2.881 317 V HA 0.184 4.304 4.120 -0.000 0.000 0.303 317 V C 1.449 177.581 176.094 0.063 0.000 1.070 317 V CA -0.717 61.625 62.300 0.070 0.000 1.074 317 V CB 0.577 32.419 31.823 0.033 0.000 1.012 317 V HN 0.779 nan 8.190 nan 0.000 0.482 318 c N 2.270 120.912 118.600 0.071 0.000 2.398 318 c HA -0.135 4.435 4.570 -0.000 0.000 0.282 318 c C 2.828 176.926 174.090 0.013 0.000 1.275 318 c CA 1.894 58.247 56.329 0.041 0.000 1.797 318 c CB -1.541 40.988 42.510 0.032 0.000 1.991 318 c HN 1.157 nan 8.230 nan 0.000 0.505 319 S N -0.790 114.913 115.700 0.006 0.000 2.701 319 S HA 0.008 4.478 4.470 -0.000 0.000 0.220 319 S C 0.048 174.639 174.600 -0.016 0.000 0.954 319 S CA 0.138 58.331 58.200 -0.012 0.000 0.936 319 S CB -0.381 62.810 63.200 -0.014 0.000 0.777 319 S HN 0.662 nan 8.310 nan 0.000 0.518 320 D N 2.044 122.443 120.400 -0.001 0.000 2.225 320 D HA 0.291 4.931 4.640 -0.000 0.000 0.248 320 D C -1.793 174.511 176.300 0.007 0.000 1.096 320 D CA -2.138 51.864 54.000 0.003 0.000 0.863 320 D CB 1.919 42.737 40.800 0.030 0.000 1.156 320 D HN -0.081 nan 8.370 nan 0.000 0.450 321 P HA -0.237 nan 4.420 nan 0.000 0.220 321 P C 1.006 178.312 177.300 0.009 0.000 1.155 321 P CA 1.997 65.092 63.100 -0.008 0.000 0.880 321 P CB 0.176 31.884 31.700 0.013 0.000 0.790 322 A N -0.406 122.446 122.820 0.054 0.000 1.917 322 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 322 A C 1.907 179.554 177.584 0.105 0.000 1.182 322 A CA 1.990 54.077 52.037 0.083 0.000 0.633 322 A CB -1.290 17.693 19.000 -0.028 0.000 0.819 322 A HN 0.229 nan 8.150 nan 0.000 0.448 323 N N -0.064 118.680 118.700 0.073 0.000 2.398 323 N HA 0.171 4.911 4.740 -0.000 0.000 0.188 323 N C 1.602 177.113 175.510 0.001 0.000 1.122 323 N CA 0.779 53.865 53.050 0.059 0.000 0.866 323 N CB -0.173 38.350 38.487 0.061 0.000 0.970 323 N HN 0.484 nan 8.380 nan 0.000 0.462 324 A N 1.000 123.775 122.820 -0.075 0.000 1.909 324 A HA -0.238 4.081 4.320 -0.000 0.000 0.221 324 A C 1.173 178.613 177.584 -0.240 0.000 1.223 324 A CA 1.551 53.451 52.037 -0.228 0.000 0.658 324 A CB -1.019 17.723 19.000 -0.431 0.000 0.831 324 A HN 0.361 nan 8.150 nan 0.000 0.462 325 Y N 0.184 120.484 120.300 -0.000 0.000 2.470 325 Y HA 0.290 4.840 4.550 -0.000 0.000 0.302 325 Y C 1.354 177.250 175.900 -0.006 0.000 1.194 325 Y CA 0.251 58.349 58.100 -0.004 0.000 1.271 325 Y CB -0.336 38.119 38.460 -0.009 0.000 1.092 325 Y HN 0.209 nan 8.280 nan 0.000 0.513 326 S N 0.659 116.417 115.700 0.096 0.000 2.499 326 S HA 0.137 4.607 4.470 -0.000 0.000 0.275 326 S C 1.170 175.791 174.600 0.035 0.000 1.257 326 S CA -0.601 57.634 58.200 0.058 0.000 1.050 326 S CB 0.774 63.994 63.200 0.032 0.000 0.937 326 S HN 0.429 nan 8.310 nan 0.000 0.490 327 K N 3.525 123.946 120.400 0.035 0.000 1.984 327 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 327 K C 2.233 178.828 176.600 -0.008 0.000 1.046 327 K CA 1.487 57.785 56.287 0.018 0.000 0.934 327 K CB -0.247 32.267 32.500 0.025 0.000 0.717 327 K HN 0.701 nan 8.250 nan 0.000 0.438 328 Q N 0.262 120.055 119.800 -0.011 0.000 2.217 328 Q HA -0.224 4.116 4.340 -0.000 0.000 0.209 328 Q C 2.314 178.269 176.000 -0.075 0.000 0.988 328 Q CA 1.499 57.278 55.803 -0.041 0.000 0.878 328 Q CB -0.282 28.438 28.738 -0.031 0.000 0.909 328 Q HN 0.382 nan 8.270 nan 0.000 0.424 329 c N -0.360 118.210 118.600 -0.050 0.000 2.489 329 c HA -0.021 4.549 4.570 -0.000 0.000 0.279 329 c C 2.872 176.924 174.090 -0.063 0.000 1.266 329 c CA 0.655 56.947 56.329 -0.060 0.000 1.707 329 c CB -1.045 41.452 42.510 -0.021 0.000 2.059 329 c HN 0.654 nan 8.230 nan 0.000 0.481 330 A N 0.327 123.123 122.820 -0.039 0.000 1.978 330 A HA 0.064 4.383 4.320 -0.000 0.000 0.220 330 A C 1.972 179.529 177.584 -0.044 0.000 1.170 330 A CA 1.799 53.815 52.037 -0.035 0.000 0.636 330 A CB -0.664 18.326 19.000 -0.016 0.000 0.810 330 A HN 0.639 nan 8.150 nan 0.000 0.448 331 A N -0.721 122.067 122.820 -0.053 0.000 2.281 331 A HA 0.526 4.846 4.320 -0.000 0.000 0.231 331 A C 0.385 177.917 177.584 -0.087 0.000 1.317 331 A CA 0.019 52.021 52.037 -0.058 0.000 0.959 331 A CB -0.623 18.346 19.000 -0.053 0.000 0.900 331 A HN 0.416 nan 8.150 nan 0.000 0.497 332 L N -1.200 119.966 121.223 -0.095 0.000 2.323 332 L HA 0.638 4.977 4.340 -0.000 0.000 0.265 332 L C 0.554 177.387 176.870 -0.061 0.000 1.012 332 L CA -1.118 53.653 54.840 -0.115 0.000 0.820 332 L CB 1.826 43.774 42.059 -0.186 0.000 1.334 332 L HN 0.159 nan 8.230 nan 0.000 0.427 333 A N 1.985 124.782 122.820 -0.039 0.000 2.515 333 A HA 0.229 4.549 4.320 -0.000 0.000 0.263 333 A C -1.649 175.927 177.584 -0.014 0.000 1.096 333 A CA -0.869 51.160 52.037 -0.014 0.000 0.769 333 A CB -0.325 18.680 19.000 0.008 0.000 1.040 333 A HN 0.621 nan 8.150 nan 0.000 0.505 334 P HA -0.303 nan 4.420 nan 0.000 0.221 334 P C 1.194 178.490 177.300 -0.007 0.000 1.151 334 P CA 2.480 65.572 63.100 -0.013 0.000 0.843 334 P CB 0.246 31.940 31.700 -0.010 0.000 0.778 335 A N -1.993 120.829 122.820 0.004 0.000 2.275 335 A HA 0.025 4.345 4.320 -0.000 0.000 0.212 335 A C 1.309 178.906 177.584 0.022 0.000 1.201 335 A CA 0.752 52.801 52.037 0.019 0.000 0.843 335 A CB -0.410 18.609 19.000 0.031 0.000 0.873 335 A HN 0.071 nan 8.150 nan 0.000 0.492 336 D N -0.401 119.989 120.400 -0.016 0.000 2.392 336 D HA 0.064 4.704 4.640 -0.000 0.000 0.206 336 D C 1.580 177.792 176.300 -0.146 0.000 1.046 336 D CA 0.472 54.391 54.000 -0.134 0.000 0.865 336 D CB 0.056 40.859 40.800 0.006 0.000 0.969 336 D HN 0.336 nan 8.370 nan 0.000 0.509 337 K N 0.463 120.835 120.400 -0.045 0.000 2.286 337 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 337 K C 1.857 178.452 176.600 -0.008 0.000 1.045 337 K CA 1.180 57.458 56.287 -0.015 0.000 0.935 337 K CB -0.128 32.360 32.500 -0.020 0.000 0.737 337 K HN 0.118 nan 8.250 nan 0.000 0.460 338 G N 0.718 109.502 108.800 -0.027 0.000 2.920 338 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.208 338 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.208 338 G C 0.642 175.575 174.900 0.056 0.000 1.159 338 G CA 0.331 45.437 45.100 0.010 0.000 0.784 338 G HN 0.537 nan 8.290 nan 0.000 0.535 339 H N -3.469 115.617 119.070 0.025 0.000 2.865 339 H HA 0.449 5.005 4.556 -0.000 0.000 0.247 339 H C -1.166 174.073 175.328 -0.147 0.000 1.181 339 H CA -1.337 54.676 56.048 -0.058 0.000 0.975 339 H CB -0.519 29.198 29.762 -0.073 0.000 1.899 339 H HN 0.112 nan 8.280 nan 0.000 0.651 340 Y N 0.947 121.226 120.300 -0.035 0.000 2.350 340 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 340 Y C -0.751 175.169 175.900 0.033 0.000 0.961 340 Y CA -1.454 56.649 58.100 0.004 0.000 1.100 340 Y CB 1.892 40.305 38.460 -0.077 0.000 1.179 340 Y HN 0.269 nan 8.280 nan 0.000 0.454 341 L N 3.920 125.287 121.223 0.239 0.000 2.292 341 L HA 0.801 5.141 4.340 -0.000 0.000 0.284 341 L C -0.240 176.736 176.870 0.178 0.000 1.065 341 L CA -0.211 54.743 54.840 0.190 0.000 0.806 341 L CB 0.590 42.770 42.059 0.201 0.000 1.175 341 L HN 0.689 nan 8.230 nan 0.000 0.431 342 A N 5.848 128.758 122.820 0.151 0.000 2.306 342 A HA 0.865 5.185 4.320 -0.000 0.000 0.314 342 A C -0.295 177.353 177.584 0.108 0.000 1.164 342 A CA -0.577 51.526 52.037 0.111 0.000 0.822 342 A CB 0.570 19.629 19.000 0.100 0.000 1.130 342 A HN 0.823 nan 8.150 nan 0.000 0.496 343 R N 0.861 121.372 120.500 0.019 0.000 2.837 343 R HA 0.653 4.993 4.340 -0.000 0.000 0.271 343 R C -0.673 175.480 176.300 -0.245 0.000 0.993 343 R CA -0.739 55.309 56.100 -0.087 0.000 0.931 343 R CB 2.421 32.675 30.300 -0.076 0.000 1.206 343 R HN 0.783 nan 8.270 nan 0.000 0.474 344 K N 0.258 120.339 120.400 -0.533 0.000 2.126 344 K HA 0.555 4.875 4.320 -0.000 0.000 0.245 344 K C -1.476 174.757 176.600 -0.610 0.000 1.068 344 K CA -0.979 54.931 56.287 -0.629 0.000 0.877 344 K CB 1.817 33.826 32.500 -0.819 0.000 1.406 344 K HN 0.570 nan 8.250 nan 0.000 0.490 345 Y N -2.779 117.277 120.300 -0.406 0.000 2.641 345 Y HA 0.662 5.212 4.550 -0.000 0.000 0.333 345 Y C -1.964 174.048 175.900 0.185 0.000 1.174 345 Y CA -1.166 56.863 58.100 -0.118 0.000 1.057 345 Y CB 0.966 39.220 38.460 -0.344 0.000 1.322 345 Y HN 0.286 nan 8.280 nan 0.000 0.457 346 V N 2.512 122.702 119.914 0.460 0.000 2.971 346 V HA 0.840 4.959 4.120 -0.000 0.000 0.309 346 V C -1.920 174.243 176.094 0.114 0.000 1.130 346 V CA -0.745 61.604 62.300 0.081 0.000 0.964 346 V CB 2.148 33.806 31.823 -0.276 0.000 1.029 346 V HN 0.887 nan 8.190 nan 0.000 0.427 347 V N 5.310 125.245 119.914 0.035 0.000 2.444 347 V HA 0.618 4.738 4.120 -0.000 0.000 0.294 347 V C -0.812 175.223 176.094 -0.099 0.000 1.022 347 V CA -0.306 61.984 62.300 -0.017 0.000 0.850 347 V CB 1.689 33.601 31.823 0.149 0.000 0.992 347 V HN 1.045 nan 8.190 nan 0.000 0.426 348 D N 3.014 123.300 120.400 -0.189 0.000 2.601 348 D HA 0.676 5.315 4.640 -0.000 0.000 0.230 348 D C -1.550 174.694 176.300 -0.094 0.000 1.106 348 D CA -0.293 53.639 54.000 -0.114 0.000 0.873 348 D CB 2.611 43.293 40.800 -0.197 0.000 1.515 348 D HN 0.638 nan 8.370 nan 0.000 0.468 349 D N 0.833 121.235 120.400 0.004 0.000 2.688 349 D HA 0.306 4.946 4.640 -0.000 0.000 0.210 349 D C -1.449 174.888 176.300 0.061 0.000 1.333 349 D CA -0.320 53.685 54.000 0.008 0.000 0.920 349 D CB 0.947 41.748 40.800 0.001 0.000 1.554 349 D HN 0.336 nan 8.370 nan 0.000 0.579 350 E N 1.896 122.141 120.200 0.075 0.000 2.423 350 E HA 0.593 4.943 4.350 -0.000 0.000 0.269 350 E C -1.103 175.544 176.600 0.078 0.000 0.948 350 E CA -1.225 55.233 56.400 0.097 0.000 0.802 350 E CB 2.646 32.443 29.700 0.163 0.000 1.339 350 E HN 0.218 nan 8.360 nan 0.000 0.445 351 K N 1.489 121.934 120.400 0.075 0.000 2.571 351 K HA 0.378 4.698 4.320 -0.000 0.000 0.252 351 K C -2.091 174.547 176.600 0.063 0.000 0.956 351 K CA -0.590 55.737 56.287 0.067 0.000 0.822 351 K CB 1.079 33.615 32.500 0.060 0.000 1.286 351 K HN 0.397 nan 8.250 nan 0.000 0.439 352 L N 1.271 122.527 121.223 0.055 0.000 2.393 352 L HA 0.629 4.969 4.340 -0.000 0.000 0.260 352 L C -1.563 175.313 176.870 0.011 0.000 1.002 352 L CA -0.294 54.569 54.840 0.040 0.000 0.818 352 L CB 2.090 44.170 42.059 0.036 0.000 1.369 352 L HN 0.653 nan 8.230 nan 0.000 0.412 353 Q N 1.679 121.486 119.800 0.011 0.000 2.394 353 Q HA 0.497 4.837 4.340 -0.000 0.000 0.273 353 Q C -1.698 174.265 176.000 -0.063 0.000 1.089 353 Q CA -0.577 55.196 55.803 -0.051 0.000 0.812 353 Q CB 2.566 31.395 28.738 0.151 0.000 1.353 353 Q HN 0.906 nan 8.270 nan 0.000 0.438 354 N N 1.589 120.155 118.700 -0.223 0.000 2.397 354 N HA 0.499 5.239 4.740 -0.000 0.000 0.291 354 N C -1.983 173.497 175.510 -0.050 0.000 1.065 354 N CA -0.359 52.624 53.050 -0.111 0.000 0.884 354 N CB 1.555 39.948 38.487 -0.158 0.000 1.551 354 N HN 0.482 nan 8.380 nan 0.000 0.487 355 F N 2.480 122.435 119.950 0.008 0.000 2.495 355 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 355 F C -1.044 174.771 175.800 0.025 0.000 1.103 355 F CA -0.165 57.931 58.000 0.160 0.000 0.949 355 F CB 1.841 41.046 39.000 0.341 0.000 1.142 355 F HN 0.283 nan 8.300 nan 0.000 0.457 356 S N 3.893 119.105 115.700 -0.813 0.000 2.540 356 S HA 0.766 5.235 4.470 -0.000 0.000 0.275 356 S C -1.406 172.803 174.600 -0.652 0.000 1.123 356 S CA -0.701 57.149 58.200 -0.583 0.000 0.907 356 S CB 1.822 64.833 63.200 -0.316 0.000 1.081 356 S HN 0.941 nan 8.310 nan 0.000 0.476 357 V N -0.254 119.484 119.914 -0.293 0.000 2.817 357 V HA 0.806 4.926 4.120 -0.000 0.000 0.303 357 V C -1.971 174.168 176.094 0.075 0.000 1.151 357 V CA -0.725 61.505 62.300 -0.116 0.000 0.929 357 V CB 1.926 33.754 31.823 0.008 0.000 1.030 357 V HN 0.782 nan 8.190 nan 0.000 0.427 358 D N 2.438 122.889 120.400 0.084 0.000 2.629 358 D HA 0.751 5.391 4.640 -0.000 0.000 0.250 358 D C -0.636 175.770 176.300 0.177 0.000 1.126 358 D CA 0.103 54.202 54.000 0.164 0.000 0.852 358 D CB 2.455 43.345 40.800 0.150 0.000 1.335 358 D HN 0.824 nan 8.370 nan 0.000 0.518 359 T N 3.659 118.333 114.554 0.199 0.000 2.824 359 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 359 T C -0.850 173.935 174.700 0.141 0.000 0.993 359 T CA -0.822 61.386 62.100 0.179 0.000 0.967 359 T CB 1.409 70.382 68.868 0.175 0.000 0.960 359 T HN 0.455 nan 8.240 nan 0.000 0.441 360 Q N 2.001 121.878 119.800 0.128 0.000 2.421 360 Q HA 0.818 5.158 4.340 -0.000 0.000 0.280 360 Q C -1.830 174.219 176.000 0.081 0.000 1.085 360 Q CA -1.286 54.561 55.803 0.074 0.000 0.807 360 Q CB 2.268 31.082 28.738 0.127 0.000 1.405 360 Q HN 0.440 nan 8.270 nan 0.000 0.419 361 L N 1.128 122.387 121.223 0.060 0.000 2.356 361 L HA 0.416 4.755 4.340 -0.000 0.000 0.277 361 L C -1.276 175.673 176.870 0.131 0.000 0.996 361 L CA -0.190 54.712 54.840 0.102 0.000 0.822 361 L CB 2.167 44.275 42.059 0.082 0.000 1.256 361 L HN 0.832 nan 8.230 nan 0.000 0.413 362 Q N 3.089 122.989 119.800 0.167 0.000 2.348 362 Q HA 0.571 4.910 4.340 -0.000 0.000 0.265 362 Q C -1.409 174.726 176.000 0.225 0.000 0.998 362 Q CA -0.394 55.500 55.803 0.152 0.000 0.831 362 Q CB 1.244 30.049 28.738 0.111 0.000 1.251 362 Q HN 0.783 nan 8.270 nan 0.000 0.456 363 S N 4.243 120.062 115.700 0.197 0.000 2.456 363 S HA 0.439 4.909 4.470 -0.000 0.000 0.316 363 S C -0.963 173.562 174.600 -0.125 0.000 1.089 363 S CA -0.883 57.424 58.200 0.179 0.000 1.101 363 S CB 0.960 64.431 63.200 0.451 0.000 0.995 363 S HN 0.407 nan 8.310 nan 0.000 0.468 364 K N 3.643 123.958 120.400 -0.141 0.000 2.293 364 K HA 0.568 4.888 4.320 -0.000 0.000 0.267 364 K C -0.804 175.713 176.600 -0.139 0.000 1.010 364 K CA -0.355 55.809 56.287 -0.206 0.000 0.875 364 K CB 0.570 33.015 32.500 -0.092 0.000 1.106 364 K HN 0.648 nan 8.250 nan 0.000 0.450 365 F N -0.640 119.289 119.950 -0.035 0.000 2.668 365 F HA 0.773 5.299 4.527 -0.000 0.000 0.309 365 F C -0.940 174.790 175.800 -0.116 0.000 1.117 365 F CA -1.599 56.348 58.000 -0.087 0.000 0.951 365 F CB 0.864 39.797 39.000 -0.112 0.000 1.323 365 F HN 0.370 nan 8.300 nan 0.000 0.451 366 A N 0.157 123.078 122.820 0.168 0.000 2.288 366 A HA 0.876 5.195 4.320 -0.000 0.000 0.328 366 A C -0.648 176.893 177.584 -0.072 0.000 1.123 366 A CA -0.738 51.305 52.037 0.010 0.000 0.861 366 A CB 1.131 20.141 19.000 0.017 0.000 1.272 366 A HN 0.915 nan 8.150 nan 0.000 0.490 367 T N 0.785 115.263 114.554 -0.127 0.000 3.477 367 T HA 0.494 4.844 4.350 -0.000 0.000 0.277 367 T C 0.144 174.836 174.700 -0.012 0.000 1.090 367 T CA 0.273 62.307 62.100 -0.109 0.000 1.635 367 T CB -0.008 68.741 68.868 -0.198 0.000 0.817 367 T HN 2.166 nan 8.240 nan 0.000 0.609 368 G N 3.057 111.868 108.800 0.018 0.000 2.261 368 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.220 368 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.220 368 G C 0.371 175.358 174.900 0.145 0.000 0.572 368 G CA 0.494 45.633 45.100 0.065 0.000 1.011 368 G HN 0.728 nan 8.290 nan 0.000 0.328 369 D N -0.910 119.587 120.400 0.161 0.000 2.554 369 D HA -0.226 4.414 4.640 -0.000 0.000 0.178 369 D C 0.925 177.466 176.300 0.402 0.000 1.054 369 D CA 1.880 56.035 54.000 0.258 0.000 1.052 369 D CB -0.927 40.092 40.800 0.365 0.000 1.112 369 D HN 0.791 nan 8.370 nan 0.000 0.448 370 I N 2.406 123.155 120.570 0.298 0.000 2.347 370 I HA 0.136 4.306 4.170 -0.000 0.000 0.283 370 I C 0.162 176.407 176.117 0.214 0.000 1.058 370 I CA -0.429 61.051 61.300 0.299 0.000 1.202 370 I CB 0.958 39.074 38.000 0.193 0.000 1.386 370 I HN -0.204 nan 8.210 nan 0.000 0.475 371 D N 5.576 126.113 120.400 0.228 0.000 2.302 371 D HA 0.295 4.934 4.640 -0.000 0.000 0.248 371 D C -0.197 176.285 176.300 0.304 0.000 1.094 371 D CA 0.138 54.231 54.000 0.156 0.000 0.897 371 D CB 1.176 42.029 40.800 0.088 0.000 1.200 371 D HN 0.511 nan 8.370 nan 0.000 0.429 372 H N -0.262 118.738 119.070 -0.116 0.000 2.622 372 H HA 0.401 4.957 4.556 -0.000 0.000 0.363 372 H C -0.465 174.619 175.328 -0.406 0.000 1.151 372 H CA -0.742 55.134 56.048 -0.286 0.000 1.184 372 H CB 1.915 31.383 29.762 -0.491 0.000 1.643 372 H HN 0.140 nan 8.280 nan 0.000 0.531 373 T N 3.453 117.891 114.554 -0.193 0.000 3.141 373 T HA 0.097 4.447 4.350 -0.000 0.000 0.377 373 T C -0.649 173.964 174.700 -0.146 0.000 1.258 373 T CA -0.612 61.387 62.100 -0.169 0.000 1.263 373 T CB 0.102 68.921 68.868 -0.082 0.000 1.066 373 T HN 0.166 nan 8.240 nan 0.000 0.546 374 L N 4.478 125.586 121.223 -0.191 0.000 2.283 374 L HA 0.625 4.964 4.340 -0.000 0.000 0.287 374 L C -0.801 176.092 176.870 0.039 0.000 1.073 374 L CA -0.685 54.128 54.840 -0.046 0.000 0.822 374 L CB 0.365 42.448 42.059 0.040 0.000 1.186 374 L HN 0.450 nan 8.230 nan 0.000 0.436 375 L N 5.729 126.980 121.223 0.048 0.000 2.282 375 L HA 0.731 5.071 4.340 -0.000 0.000 0.288 375 L C -0.333 176.549 176.870 0.020 0.000 1.033 375 L CA 0.230 55.107 54.840 0.062 0.000 0.807 375 L CB 1.475 43.591 42.059 0.094 0.000 1.209 375 L HN 0.828 nan 8.230 nan 0.000 0.423 376 T N 1.637 116.165 114.554 -0.043 0.000 3.011 376 T HA 0.890 5.240 4.350 -0.000 0.000 0.303 376 T C -0.357 174.162 174.700 -0.302 0.000 0.997 376 T CA -0.194 61.807 62.100 -0.164 0.000 1.007 376 T CB 1.209 70.056 68.868 -0.034 0.000 1.017 376 T HN 0.921 nan 8.240 nan 0.000 0.443 377 G N 1.048 109.397 108.800 -0.752 0.000 2.708 377 G HA2 0.765 4.725 3.960 -0.000 0.000 0.289 377 G HA3 0.765 4.725 3.960 -0.000 0.000 0.289 377 G C -1.053 173.576 174.900 -0.451 0.000 1.416 377 G CA -0.415 44.339 45.100 -0.575 0.000 0.829 377 G HN 1.677 nan 8.290 nan 0.000 0.480 378 V N -1.450 118.462 119.914 -0.003 0.000 2.531 378 V HA 0.763 4.883 4.120 -0.000 0.000 0.301 378 V C -1.600 174.694 176.094 0.333 0.000 1.034 378 V CA -0.927 61.498 62.300 0.208 0.000 0.865 378 V CB 1.659 33.590 31.823 0.179 0.000 0.995 378 V HN 0.677 nan 8.190 nan 0.000 0.424 379 D N 3.660 124.312 120.400 0.420 0.000 2.375 379 D HA 0.663 5.303 4.640 -0.000 0.000 0.247 379 D C -1.368 175.163 176.300 0.385 0.000 1.061 379 D CA -0.259 53.952 54.000 0.352 0.000 0.834 379 D CB 1.886 42.853 40.800 0.279 0.000 1.247 379 D HN 0.619 nan 8.370 nan 0.000 0.489 380 F N 3.586 123.633 119.950 0.162 0.000 2.588 380 F HA 0.745 5.272 4.527 -0.000 0.000 0.314 380 F C -1.594 174.276 175.800 0.115 0.000 1.069 380 F CA -0.845 57.256 58.000 0.168 0.000 0.931 380 F CB 1.530 40.650 39.000 0.199 0.000 1.260 380 F HN 0.396 nan 8.300 nan 0.000 0.465 381 M N 4.469 123.411 119.600 -1.096 0.000 2.490 381 M HA 0.592 5.072 4.480 -0.000 0.000 0.286 381 M C -2.170 173.658 176.300 -0.787 0.000 1.185 381 M CA -0.625 54.219 55.300 -0.761 0.000 0.912 381 M CB 2.284 34.694 32.600 -0.317 0.000 1.744 381 M HN 0.602 nan 8.290 nan 0.000 0.494 382 R N 2.627 122.914 120.500 -0.355 0.000 2.604 382 R HA 0.916 5.255 4.340 -0.000 0.000 0.281 382 R C -1.732 174.565 176.300 -0.006 0.000 1.020 382 R CA -0.879 55.151 56.100 -0.115 0.000 0.899 382 R CB 2.165 32.503 30.300 0.063 0.000 1.205 382 R HN 0.915 nan 8.270 nan 0.000 0.450 383 M N 2.920 122.520 119.600 0.001 0.000 2.393 383 M HA 0.495 4.975 4.480 -0.000 0.000 0.299 383 M C -1.705 174.615 176.300 0.033 0.000 1.103 383 M CA -0.580 54.725 55.300 0.007 0.000 0.910 383 M CB 2.467 35.048 32.600 -0.031 0.000 1.659 383 M HN 0.954 nan 8.290 nan 0.000 0.445 384 R N 3.571 124.097 120.500 0.044 0.000 2.575 384 R HA 0.558 4.898 4.340 -0.000 0.000 0.293 384 R C -1.983 174.342 176.300 0.042 0.000 0.983 384 R CA -0.346 55.784 56.100 0.049 0.000 0.887 384 R CB 1.538 31.880 30.300 0.070 0.000 1.184 384 R HN 0.872 nan 8.270 nan 0.000 0.445 385 N N 1.784 120.506 118.700 0.037 0.000 2.310 385 N HA 0.185 4.925 4.740 -0.000 0.000 0.292 385 N C -1.982 173.544 175.510 0.027 0.000 1.049 385 N CA -0.543 52.532 53.050 0.042 0.000 0.849 385 N CB 2.014 40.535 38.487 0.056 0.000 1.532 385 N HN 0.512 nan 8.380 nan 0.000 0.479 386 D N 3.731 124.150 120.400 0.033 0.000 2.381 386 D HA 0.348 4.987 4.640 -0.000 0.000 0.235 386 D C -0.615 175.694 176.300 0.016 0.000 1.068 386 D CA -0.260 53.747 54.000 0.012 0.000 0.832 386 D CB 0.848 41.661 40.800 0.021 0.000 1.101 386 D HN 0.525 nan 8.370 nan 0.000 0.515 387 I N 3.491 124.041 120.570 -0.033 0.000 2.339 387 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 387 I C 0.346 176.448 176.117 -0.025 0.000 0.994 387 I CA -0.551 60.736 61.300 -0.023 0.000 1.191 387 I CB 1.239 39.147 38.000 -0.154 0.000 1.343 387 I HN 0.196 nan 8.210 nan 0.000 0.458 388 N N 5.954 124.686 118.700 0.054 0.000 2.623 388 N HA 0.688 5.427 4.740 -0.000 0.000 0.256 388 N C -1.255 174.338 175.510 0.138 0.000 1.045 388 N CA -0.139 52.955 53.050 0.075 0.000 0.863 388 N CB 1.058 39.584 38.487 0.065 0.000 1.182 388 N HN 0.776 nan 8.380 nan 0.000 0.523 389 A N 2.786 125.729 122.820 0.206 0.000 2.564 389 A HA 0.627 4.947 4.320 -0.000 0.000 0.288 389 A C -2.131 175.625 177.584 0.287 0.000 1.164 389 A CA -0.642 51.524 52.037 0.216 0.000 0.712 389 A CB 1.649 20.759 19.000 0.185 0.000 1.303 389 A HN 0.609 nan 8.150 nan 0.000 0.418 390 W N 0.721 122.007 121.300 -0.023 0.000 2.957 390 W HA 0.670 5.329 4.660 -0.000 0.000 0.336 390 W C -2.592 173.815 176.519 -0.186 0.000 1.087 390 W CA -0.926 56.442 57.345 0.038 0.000 1.235 390 W CB 1.884 31.416 29.460 0.120 0.000 1.399 390 W HN 0.527 nan 8.180 nan 0.000 0.480 391 F N 2.449 122.363 119.950 -0.061 0.000 2.495 391 F HA 0.567 5.094 4.527 -0.000 0.000 0.327 391 F C 1.015 176.397 175.800 -0.697 0.000 1.103 391 F CA -0.627 57.245 58.000 -0.214 0.000 0.949 391 F CB 1.813 40.775 39.000 -0.063 0.000 1.142 391 F HN 0.315 nan 8.300 nan 0.000 0.457 392 G N 2.318 110.603 108.800 -0.857 0.000 2.338 392 G HA2 0.437 4.397 3.960 -0.000 0.000 0.298 392 G HA3 0.437 4.397 3.960 -0.000 0.000 0.298 392 G C -1.266 173.353 174.900 -0.469 0.000 1.140 392 G CA -0.127 44.359 45.100 -1.023 0.000 0.860 392 G HN 0.407 nan 8.290 nan 0.000 0.470 393 Y N 0.088 120.294 120.300 -0.156 0.000 2.645 393 Y HA 0.327 4.877 4.550 -0.000 0.000 0.341 393 Y C 0.953 176.765 175.900 -0.147 0.000 1.234 393 Y CA -1.698 56.309 58.100 -0.154 0.000 1.352 393 Y CB 0.113 38.515 38.460 -0.097 0.000 1.556 393 Y HN 0.355 nan 8.280 nan 0.000 0.607 394 D N 1.614 122.048 120.400 0.057 0.000 2.629 394 D HA -0.097 4.543 4.640 -0.000 0.000 0.228 394 D C 0.089 176.412 176.300 0.039 0.000 1.127 394 D CA 1.362 55.365 54.000 0.005 0.000 0.855 394 D CB 0.171 40.987 40.800 0.028 0.000 1.180 394 D HN 0.563 nan 8.370 nan 0.000 0.484 395 D N 0.275 120.688 120.400 0.022 0.000 3.077 395 D HA -0.221 4.419 4.640 -0.000 0.000 0.217 395 D C 1.244 177.591 176.300 0.080 0.000 1.162 395 D CA 1.251 55.277 54.000 0.044 0.000 0.943 395 D CB -1.374 39.455 40.800 0.048 0.000 1.122 395 D HN 0.494 nan 8.370 nan 0.000 0.413 396 S N -0.961 114.789 115.700 0.083 0.000 2.481 396 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 396 S C 0.862 175.659 174.600 0.328 0.000 0.996 396 S CA 0.776 59.092 58.200 0.193 0.000 0.942 396 S CB 0.806 64.072 63.200 0.111 0.000 0.768 396 S HN 0.439 nan 8.310 nan 0.000 0.520 397 V N 0.670 120.692 119.914 0.180 0.000 2.971 397 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 397 V C -3.036 173.120 176.094 0.104 0.000 1.130 397 V CA -2.403 60.019 62.300 0.202 0.000 0.964 397 V CB 1.756 33.495 31.823 -0.141 0.000 1.029 397 V HN 0.003 nan 8.190 nan 0.000 0.427 398 P HA 0.107 nan 4.420 nan 0.000 0.271 398 P C -0.466 176.877 177.300 0.071 0.000 1.212 398 P CA 0.371 63.521 63.100 0.082 0.000 0.788 398 P CB 0.303 32.059 31.700 0.093 0.000 0.865 399 L N 0.837 122.102 121.223 0.070 0.000 2.448 399 L HA 0.461 4.800 4.340 -0.000 0.000 0.258 399 L C 0.263 177.242 176.870 0.182 0.000 1.104 399 L CA -0.686 54.216 54.840 0.104 0.000 0.800 399 L CB 0.173 42.262 42.059 0.049 0.000 1.241 399 L HN 0.181 nan 8.230 nan 0.000 0.472 400 L N 1.301 122.680 121.223 0.260 0.000 2.409 400 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 400 L C -0.642 176.418 176.870 0.316 0.000 0.980 400 L CA -0.580 54.427 54.840 0.278 0.000 0.826 400 L CB 1.976 44.187 42.059 0.253 0.000 1.268 400 L HN 0.522 nan 8.230 nan 0.000 0.407 401 N N 3.842 122.692 118.700 0.251 0.000 2.401 401 N HA 0.190 4.930 4.740 -0.000 0.000 0.255 401 N C 0.604 176.115 175.510 0.002 0.000 1.110 401 N CA -0.104 52.917 53.050 -0.048 0.000 0.949 401 N CB 1.137 39.607 38.487 -0.028 0.000 1.110 401 N HN 0.619 nan 8.380 nan 0.000 0.490 402 L N 3.396 124.600 121.223 -0.033 0.000 2.610 402 L HA -0.066 4.273 4.340 -0.000 0.000 0.232 402 L C 1.511 178.338 176.870 -0.073 0.000 1.149 402 L CA 0.201 54.988 54.840 -0.088 0.000 0.872 402 L CB -0.508 41.486 42.059 -0.109 0.000 0.992 402 L HN 0.557 nan 8.230 nan 0.000 0.447 403 Y N 1.698 121.887 120.300 -0.186 0.000 2.097 403 Y HA -0.328 4.221 4.550 -0.000 0.000 0.282 403 Y C 2.450 178.296 175.900 -0.090 0.000 1.152 403 Y CA 2.006 59.973 58.100 -0.221 0.000 1.136 403 Y CB -0.223 38.039 38.460 -0.330 0.000 0.975 403 Y HN 0.220 nan 8.280 nan 0.000 0.498 404 N N 0.135 118.876 118.700 0.068 0.000 2.049 404 N HA -0.174 4.566 4.740 -0.000 0.000 0.198 404 N C -2.059 173.532 175.510 0.135 0.000 1.030 404 N CA 1.235 54.348 53.050 0.106 0.000 0.870 404 N CB -1.308 37.306 38.487 0.213 0.000 1.045 404 N HN 0.148 nan 8.380 nan 0.000 0.434 405 P HA -0.001 nan 4.420 nan 0.000 0.252 405 P C -0.575 176.766 177.300 0.068 0.000 1.183 405 P CA 0.249 63.419 63.100 0.117 0.000 0.973 405 P CB 0.431 32.063 31.700 -0.113 0.000 0.990 406 S N 0.899 116.674 115.700 0.126 0.000 4.094 406 S HA 0.298 4.768 4.470 -0.000 0.000 0.236 406 S C 1.480 176.088 174.600 0.013 0.000 1.056 406 S CA 0.084 58.265 58.200 -0.032 0.000 1.564 406 S CB 0.284 63.409 63.200 -0.126 0.000 1.097 406 S HN 0.151 nan 8.310 nan 0.000 0.734 407 S N -0.506 115.147 115.700 -0.078 0.000 2.501 407 S HA 0.028 4.498 4.470 -0.000 0.000 0.220 407 S C 1.653 176.234 174.600 -0.031 0.000 0.997 407 S CA 0.909 59.054 58.200 -0.091 0.000 0.919 407 S CB -0.744 62.367 63.200 -0.148 0.000 0.778 407 S HN 0.738 nan 8.310 nan 0.000 0.523 408 H N 0.105 119.102 119.070 -0.122 0.000 2.470 408 H HA 0.162 4.718 4.556 -0.000 0.000 0.289 408 H C 1.752 177.036 175.328 -0.073 0.000 1.033 408 H CA 1.655 57.623 56.048 -0.133 0.000 1.331 408 H CB -0.131 29.499 29.762 -0.219 0.000 1.414 408 H HN 0.410 nan 8.280 nan 0.000 0.545 409 H N -1.266 117.799 119.070 -0.009 0.000 2.547 409 H HA 0.101 4.657 4.556 -0.000 0.000 0.272 409 H C 0.764 176.084 175.328 -0.013 0.000 0.971 409 H CA 0.538 56.562 56.048 -0.041 0.000 1.245 409 H CB 0.094 29.872 29.762 0.027 0.000 1.440 409 H HN 0.430 nan 8.280 nan 0.000 0.540 410 H N -0.819 118.264 119.070 0.021 0.000 2.394 410 H HA 0.083 4.638 4.556 -0.000 0.000 0.258 410 H C 1.399 176.747 175.328 0.033 0.000 1.608 410 H CA 0.487 56.510 56.048 -0.042 0.000 1.531 410 H CB 0.139 29.814 29.762 -0.144 0.000 1.700 410 H HN 0.188 nan 8.280 nan 0.000 0.779 411 H N -0.513 118.649 119.070 0.154 0.000 1.466 411 H HA -0.291 4.265 4.556 -0.000 0.000 0.092 411 H C 0.041 175.475 175.328 0.176 0.000 1.072 411 H CA 1.478 57.609 56.048 0.138 0.000 1.898 411 H CB -0.960 28.901 29.762 0.165 0.000 2.255 411 H HN 0.611 nan 8.280 nan 0.000 0.961 412 H N 1.257 120.418 119.070 0.152 0.000 3.217 412 H HA -0.119 4.437 4.556 -0.000 0.000 0.272 412 H C 0.805 176.140 175.328 0.012 0.000 0.929 412 H CA 0.201 56.270 56.048 0.036 0.000 1.425 412 H CB 0.039 29.863 29.762 0.103 0.000 1.505 412 H HN 0.385 nan 8.280 nan 0.000 0.542 413 H N 0.759 119.868 119.070 0.065 0.000 1.452 413 H HA -0.229 4.327 4.556 -0.000 0.000 0.090 413 H C 0.887 176.209 175.328 -0.011 0.000 2.870 413 H CA 1.156 57.200 56.048 -0.006 0.000 1.901 413 H CB -0.907 28.815 29.762 -0.066 0.000 2.257 413 H HN 0.844 nan 8.280 nan 0.000 0.961 414 G N -1.252 107.647 108.800 0.164 0.000 2.634 414 G HA2 0.421 4.380 3.960 -0.000 0.000 0.309 414 G HA3 0.421 4.380 3.960 -0.000 0.000 0.309 414 G C -0.487 174.503 174.900 0.150 0.000 1.299 414 G CA 0.414 45.572 45.100 0.097 0.000 0.798 414 G HN 0.710 nan 8.290 nan 0.000 0.490 415 S N -1.205 114.517 115.700 0.038 0.000 2.564 415 S HA 0.382 4.852 4.470 -0.000 0.000 0.263 415 S C 0.457 175.036 174.600 -0.034 0.000 1.378 415 S CA 1.014 59.169 58.200 -0.076 0.000 0.996 415 S CB 0.521 63.699 63.200 -0.036 0.000 0.881 415 S HN 1.379 nan 8.310 nan 0.000 0.555 416 S N 1.033 116.676 115.700 -0.094 0.000 2.538 416 S HA 0.447 4.917 4.470 -0.000 0.000 0.288 416 S C -0.709 173.886 174.600 -0.008 0.000 1.108 416 S CA -0.702 57.502 58.200 0.008 0.000 0.971 416 S CB 1.446 64.713 63.200 0.111 0.000 1.041 416 S HN 0.911 nan 8.310 nan 0.000 0.483 417 V N 5.939 125.855 119.914 0.004 0.000 2.599 417 V HA 0.176 4.295 4.120 -0.000 0.000 0.300 417 V C 0.651 176.762 176.094 0.028 0.000 1.034 417 V CA 0.312 62.614 62.300 0.004 0.000 1.115 417 V CB 0.018 31.851 31.823 0.017 0.000 0.934 417 V HN 0.976 nan 8.190 nan 0.000 0.485 418 N N 3.682 122.399 118.700 0.028 0.000 2.254 418 N HA 0.166 4.905 4.740 -0.000 0.000 0.272 418 N C 0.221 175.765 175.510 0.057 0.000 1.295 418 N CA 0.737 53.820 53.050 0.054 0.000 0.934 418 N CB -0.047 38.475 38.487 0.059 0.000 1.033 418 N HN 0.928 nan 8.380 nan 0.000 0.467 419 T N -1.954 112.638 114.554 0.064 0.000 2.940 419 T HA 0.336 4.685 4.350 -0.000 0.000 0.288 419 T C -0.357 174.382 174.700 0.066 0.000 1.045 419 T CA -0.942 61.192 62.100 0.058 0.000 1.018 419 T CB 1.187 70.086 68.868 0.051 0.000 1.151 419 T HN 0.117 nan 8.240 nan 0.000 0.529 420 D N 0.082 120.515 120.400 0.055 0.000 2.363 420 D HA 0.359 4.998 4.640 -0.000 0.000 0.240 420 D C -0.811 175.519 176.300 0.050 0.000 1.236 420 D CA 0.160 54.201 54.000 0.067 0.000 0.927 420 D CB 0.445 41.270 40.800 0.041 0.000 1.150 420 D HN 0.491 nan 8.370 nan 0.000 0.458 421 F N 0.039 119.866 119.950 -0.206 0.000 2.603 421 F HA 0.134 4.661 4.527 -0.000 0.000 0.317 421 F C 0.886 176.381 175.800 -0.508 0.000 1.066 421 F CA -0.851 56.871 58.000 -0.463 0.000 0.941 421 F CB 1.805 40.309 39.000 -0.827 0.000 1.291 421 F HN 0.126 nan 8.300 nan 0.000 0.472 422 D N 1.990 121.543 120.400 -1.412 0.000 2.091 422 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 422 D C 1.401 177.408 176.300 -0.488 0.000 0.980 422 D CA 2.166 55.670 54.000 -0.827 0.000 0.831 422 D CB 0.090 40.414 40.800 -0.793 0.000 0.987 422 D HN 0.591 nan 8.370 nan 0.000 0.460 423 F N -0.694 118.927 119.950 -0.549 0.000 2.578 423 F HA -0.328 4.199 4.527 -0.000 0.000 0.656 423 F C 0.969 176.575 175.800 -0.322 0.000 0.490 423 F CA 1.232 59.049 58.000 -0.305 0.000 0.743 423 F CB -1.573 37.349 39.000 -0.130 0.000 1.626 423 F HN 0.043 nan 8.300 nan 0.000 0.260 424 N N 0.669 119.300 118.700 -0.115 0.000 2.347 424 N HA 0.505 5.245 4.740 -0.000 0.000 0.253 424 N C 0.583 175.939 175.510 -0.256 0.000 1.274 424 N CA 0.663 53.607 53.050 -0.177 0.000 0.941 424 N CB 0.480 38.890 38.487 -0.128 0.000 1.200 424 N HN 0.661 nan 8.380 nan 0.000 0.514 425 A N 0.501 123.174 122.820 -0.245 0.000 2.018 425 A HA -0.182 4.138 4.320 -0.000 0.000 0.263 425 A C -0.419 177.017 177.584 -0.248 0.000 1.361 425 A CA 0.419 52.324 52.037 -0.220 0.000 0.737 425 A CB -1.371 17.522 19.000 -0.179 0.000 1.189 425 A HN 0.457 nan 8.150 nan 0.000 0.304 426 K N 2.242 122.429 120.400 -0.355 0.000 2.250 426 K HA 0.219 4.539 4.320 -0.000 0.000 0.285 426 K C -0.230 176.368 176.600 -0.002 0.000 1.097 426 K CA -0.529 55.577 56.287 -0.301 0.000 0.913 426 K CB 0.663 32.465 32.500 -1.162 0.000 1.179 426 K HN 0.565 nan 8.250 nan 0.000 0.462 427 D N 4.385 124.828 120.400 0.072 0.000 2.451 427 D HA 0.007 4.647 4.640 -0.000 0.000 0.254 427 D C -1.542 174.878 176.300 0.201 0.000 1.204 427 D CA -1.761 52.302 54.000 0.105 0.000 0.896 427 D CB 1.030 41.880 40.800 0.083 0.000 1.136 427 D HN 0.178 nan 8.370 nan 0.000 0.499 428 P HA -0.131 nan 4.420 nan 0.000 0.227 428 P C 0.476 177.891 177.300 0.191 0.000 1.145 428 P CA 0.925 64.167 63.100 0.237 0.000 0.769 428 P CB 0.323 32.129 31.700 0.175 0.000 0.769 429 A N 0.969 123.885 122.820 0.160 0.000 1.843 429 A HA -0.110 4.210 4.320 -0.000 0.000 0.213 429 A C 1.845 179.534 177.584 0.175 0.000 1.239 429 A CA 1.325 53.447 52.037 0.140 0.000 0.606 429 A CB -1.266 17.796 19.000 0.102 0.000 0.903 429 A HN 0.348 nan 8.150 nan 0.000 0.455 430 N N -0.436 118.359 118.700 0.157 0.000 2.336 430 N HA 0.053 4.793 4.740 -0.000 0.000 0.189 430 N C -0.026 175.475 175.510 -0.016 0.000 1.113 430 N CA 0.582 53.720 53.050 0.148 0.000 0.858 430 N CB 0.142 38.704 38.487 0.124 0.000 0.970 430 N HN 0.421 nan 8.380 nan 0.000 0.471 431 S N -1.277 114.410 115.700 -0.022 0.000 2.607 431 S HA 0.810 5.280 4.470 -0.000 0.000 0.273 431 S C -0.515 174.019 174.600 -0.111 0.000 1.148 431 S CA -0.725 57.275 58.200 -0.333 0.000 0.833 431 S CB 2.045 65.411 63.200 0.277 0.000 1.130 431 S HN 0.201 nan 8.310 nan 0.000 0.470 432 G N -0.125 108.334 108.800 -0.569 0.000 2.708 432 G HA2 0.797 4.756 3.960 -0.000 0.000 0.289 432 G HA3 0.797 4.756 3.960 -0.000 0.000 0.289 432 G C -3.659 170.349 174.900 -1.487 0.000 1.416 432 G CA -1.740 42.999 45.100 -0.602 0.000 0.829 432 G HN 0.578 nan 8.290 nan 0.000 0.480 433 P HA 0.430 nan 4.420 nan 0.000 0.287 433 P C -1.730 175.487 177.300 -0.139 0.000 1.270 433 P CA -0.506 62.072 63.100 -0.870 0.000 0.844 433 P CB 1.189 32.548 31.700 -0.567 0.000 1.068 434 Y N 2.365 122.625 120.300 -0.066 0.000 2.327 434 Y HA 0.493 5.042 4.550 -0.000 0.000 0.325 434 Y C -0.662 175.265 175.900 0.045 0.000 0.999 434 Y CA -0.579 57.565 58.100 0.073 0.000 1.195 434 Y CB 1.406 40.075 38.460 0.348 0.000 1.132 434 Y HN 0.229 nan 8.280 nan 0.000 0.455 435 R N 7.521 127.813 120.500 -0.347 0.000 2.518 435 R HA 0.586 4.925 4.340 -0.000 0.000 0.296 435 R C -1.668 174.397 176.300 -0.392 0.000 1.080 435 R CA -0.687 55.247 56.100 -0.277 0.000 0.922 435 R CB 1.638 31.877 30.300 -0.101 0.000 1.184 435 R HN 0.455 nan 8.270 nan 0.000 0.445 436 I N 3.047 123.365 120.570 -0.421 0.000 2.934 436 I HA 0.448 4.618 4.170 -0.000 0.000 0.306 436 I C -0.775 175.231 176.117 -0.186 0.000 1.110 436 I CA -1.181 59.914 61.300 -0.341 0.000 1.019 436 I CB 2.070 39.790 38.000 -0.466 0.000 1.227 436 I HN 0.436 nan 8.210 nan 0.000 0.434 437 L N 4.040 125.190 121.223 -0.121 0.000 2.388 437 L HA 0.473 4.813 4.340 -0.000 0.000 0.267 437 L C -0.927 175.918 176.870 -0.041 0.000 0.995 437 L CA 0.033 54.836 54.840 -0.061 0.000 0.864 437 L CB 0.537 42.575 42.059 -0.036 0.000 1.216 437 L HN 0.521 nan 8.230 nan 0.000 0.430 438 N N 4.452 123.135 118.700 -0.028 0.000 2.438 438 N HA 0.489 5.229 4.740 -0.000 0.000 0.282 438 N C -1.046 174.475 175.510 0.017 0.000 1.037 438 N CA -0.676 52.372 53.050 -0.004 0.000 0.942 438 N CB 1.249 39.738 38.487 0.004 0.000 1.136 438 N HN 0.454 nan 8.380 nan 0.000 0.481 439 K N 1.954 122.369 120.400 0.026 0.000 2.318 439 K HA 0.420 4.739 4.320 -0.000 0.000 0.249 439 K C -0.973 175.653 176.600 0.042 0.000 0.942 439 K CA -0.672 55.638 56.287 0.038 0.000 0.808 439 K CB 2.177 34.704 32.500 0.045 0.000 1.189 439 K HN 0.436 nan 8.250 nan 0.000 0.428 440 Q N 1.461 121.285 119.800 0.041 0.000 2.315 440 Q HA 0.365 4.705 4.340 -0.000 0.000 0.273 440 Q C -1.639 174.380 176.000 0.033 0.000 1.053 440 Q CA -0.703 55.122 55.803 0.037 0.000 0.817 440 Q CB 2.899 31.645 28.738 0.013 0.000 1.326 440 Q HN 0.309 nan 8.270 nan 0.000 0.423 441 K N 1.897 122.331 120.400 0.057 0.000 2.501 441 K HA 0.415 4.735 4.320 -0.000 0.000 0.252 441 K C -1.757 174.901 176.600 0.096 0.000 0.934 441 K CA -0.425 55.900 56.287 0.064 0.000 0.797 441 K CB 2.368 34.965 32.500 0.160 0.000 1.270 441 K HN 0.550 nan 8.250 nan 0.000 0.431 442 Q N 1.680 121.504 119.800 0.041 0.000 2.345 442 Q HA 0.469 4.809 4.340 -0.000 0.000 0.275 442 Q C -1.758 174.394 176.000 0.254 0.000 1.063 442 Q CA -0.540 55.355 55.803 0.153 0.000 0.819 442 Q CB 2.557 31.355 28.738 0.101 0.000 1.356 442 Q HN 0.530 nan 8.270 nan 0.000 0.418 443 T N 1.610 116.425 114.554 0.434 0.000 2.971 443 T HA 0.789 5.139 4.350 -0.000 0.000 0.304 443 T C -1.098 173.931 174.700 0.548 0.000 1.038 443 T CA -0.397 62.052 62.100 0.582 0.000 1.007 443 T CB 1.590 70.852 68.868 0.657 0.000 1.055 443 T HN 0.734 nan 8.240 nan 0.000 0.451 444 G N 0.960 110.043 108.800 0.472 0.000 2.696 444 G HA2 0.714 4.674 3.960 -0.000 0.000 0.295 444 G HA3 0.714 4.674 3.960 -0.000 0.000 0.295 444 G C -1.220 173.951 174.900 0.452 0.000 1.398 444 G CA -0.715 44.618 45.100 0.389 0.000 0.920 444 G HN 0.959 nan 8.290 nan 0.000 0.492 445 V N -0.879 119.288 119.914 0.421 0.000 2.656 445 V HA 0.931 5.051 4.120 -0.000 0.000 0.307 445 V C -1.060 175.255 176.094 0.368 0.000 1.051 445 V CA -1.278 61.228 62.300 0.345 0.000 0.893 445 V CB 0.829 32.829 31.823 0.296 0.000 0.999 445 V HN 1.250 nan 8.190 nan 0.000 0.426 446 Y N 1.709 122.091 120.300 0.136 0.000 2.562 446 Y HA 0.929 5.478 4.550 -0.000 0.000 0.345 446 Y C -1.207 174.756 175.900 0.105 0.000 1.045 446 Y CA -1.813 56.354 58.100 0.111 0.000 1.028 446 Y CB 1.742 40.231 38.460 0.049 0.000 1.297 446 Y HN 0.528 nan 8.280 nan 0.000 0.463 447 V N 2.797 122.824 119.914 0.187 0.000 2.638 447 V HA 0.574 4.693 4.120 -0.000 0.000 0.306 447 V C -0.982 175.209 176.094 0.162 0.000 1.052 447 V CA -0.562 61.807 62.300 0.116 0.000 0.885 447 V CB 1.739 33.630 31.823 0.112 0.000 0.999 447 V HN 0.917 nan 8.190 nan 0.000 0.424 448 Q N 2.676 122.552 119.800 0.127 0.000 2.416 448 Q HA 0.667 5.007 4.340 -0.000 0.000 0.281 448 Q C -2.195 173.838 176.000 0.056 0.000 1.067 448 Q CA -0.644 55.222 55.803 0.105 0.000 0.809 448 Q CB 2.967 31.771 28.738 0.110 0.000 1.418 448 Q HN 0.810 nan 8.270 nan 0.000 0.411 449 D N 1.290 121.703 120.400 0.023 0.000 2.990 449 D HA 0.219 4.859 4.640 -0.000 0.000 0.227 449 D C -1.669 174.595 176.300 -0.060 0.000 1.249 449 D CA -0.169 53.808 54.000 -0.039 0.000 0.891 449 D CB 1.849 42.602 40.800 -0.077 0.000 1.647 449 D HN 0.418 nan 8.370 nan 0.000 0.530 450 Q N 1.983 121.738 119.800 -0.074 0.000 2.431 450 Q HA 0.658 4.998 4.340 -0.000 0.000 0.249 450 Q C -1.020 174.935 176.000 -0.074 0.000 1.025 450 Q CA -0.807 54.960 55.803 -0.059 0.000 0.835 450 Q CB 1.882 30.593 28.738 -0.045 0.000 1.207 450 Q HN 0.459 nan 8.270 nan 0.000 0.490 451 A N 3.253 126.022 122.820 -0.084 0.000 2.249 451 A HA 0.313 4.633 4.320 -0.000 0.000 0.314 451 A C -0.679 176.944 177.584 0.065 0.000 1.290 451 A CA -0.459 51.546 52.037 -0.054 0.000 0.893 451 A CB 0.746 19.616 19.000 -0.216 0.000 1.165 451 A HN 0.664 nan 8.150 nan 0.000 0.530 452 Q N 2.346 122.214 119.800 0.115 0.000 2.347 452 Q HA 0.285 4.624 4.340 -0.000 0.000 0.262 452 Q C -1.333 174.806 176.000 0.232 0.000 0.980 452 Q CA -0.459 55.421 55.803 0.129 0.000 0.867 452 Q CB 0.899 29.674 28.738 0.062 0.000 1.242 452 Q HN 0.788 nan 8.270 nan 0.000 0.453 453 W N 7.017 128.329 121.300 0.021 0.000 1.899 453 W HA 0.246 4.906 4.660 -0.000 0.000 0.325 453 W C -0.961 175.553 176.519 -0.008 0.000 0.737 453 W CA -0.635 56.727 57.345 0.027 0.000 2.332 453 W CB -0.078 29.411 29.460 0.048 0.000 2.200 453 W HN 0.687 nan 8.180 nan 0.000 0.530 454 D N 2.650 123.014 120.400 -0.060 0.000 5.070 454 D HA -0.254 4.386 4.640 -0.000 0.000 0.239 454 D C 0.855 177.011 176.300 -0.239 0.000 1.194 454 D CA 1.451 55.342 54.000 -0.182 0.000 1.284 454 D CB -0.114 40.512 40.800 -0.289 0.000 0.729 454 D HN 0.408 nan 8.370 nan 0.000 0.365 455 K N -1.777 118.496 120.400 -0.211 0.000 3.595 455 K HA -0.235 4.085 4.320 -0.000 0.000 0.284 455 K C 0.131 176.460 176.600 -0.450 0.000 1.150 455 K CA 1.551 57.636 56.287 -0.335 0.000 1.056 455 K CB -0.839 31.399 32.500 -0.437 0.000 1.354 455 K HN 0.387 nan 8.250 nan 0.000 0.448 456 V N 1.731 121.494 119.914 -0.252 0.000 2.313 456 V HA 0.419 4.538 4.120 -0.000 0.000 0.278 456 V C -0.713 175.412 176.094 0.052 0.000 1.017 456 V CA -0.723 61.527 62.300 -0.083 0.000 0.823 456 V CB 1.196 33.081 31.823 0.103 0.000 1.010 456 V HN 0.184 nan 8.190 nan 0.000 0.443 457 L N 6.884 128.132 121.223 0.041 0.000 2.287 457 L HA 0.720 5.060 4.340 -0.000 0.000 0.287 457 L C -0.532 176.372 176.870 0.056 0.000 1.022 457 L CA -0.014 54.854 54.840 0.048 0.000 0.814 457 L CB 1.728 43.794 42.059 0.013 0.000 1.217 457 L HN 0.411 nan 8.230 nan 0.000 0.420 458 V N 5.270 125.217 119.914 0.055 0.000 2.448 458 V HA 0.660 4.779 4.120 -0.000 0.000 0.295 458 V C -0.464 175.633 176.094 0.005 0.000 1.025 458 V CA 0.009 62.332 62.300 0.038 0.000 0.859 458 V CB 1.950 33.814 31.823 0.069 0.000 0.988 458 V HN 0.941 nan 8.190 nan 0.000 0.431 459 T N 8.321 122.869 114.554 -0.010 0.000 2.779 459 T HA 0.716 5.066 4.350 -0.000 0.000 0.280 459 T C -0.869 173.849 174.700 0.031 0.000 0.987 459 T CA -0.272 61.822 62.100 -0.010 0.000 0.966 459 T CB 1.219 70.065 68.868 -0.037 0.000 0.933 459 T HN 0.674 nan 8.240 nan 0.000 0.442 460 L N 2.265 123.522 121.223 0.056 0.000 2.466 460 L HA 0.920 5.260 4.340 -0.000 0.000 0.258 460 L C -0.396 176.555 176.870 0.135 0.000 0.973 460 L CA 0.174 55.094 54.840 0.134 0.000 0.826 460 L CB 1.944 44.088 42.059 0.143 0.000 1.372 460 L HN 0.881 nan 8.230 nan 0.000 0.409 461 G N 0.937 109.865 108.800 0.212 0.000 2.349 461 G HA2 0.637 4.597 3.960 -0.000 0.000 0.294 461 G HA3 0.637 4.597 3.960 -0.000 0.000 0.294 461 G C -1.321 173.741 174.900 0.269 0.000 1.380 461 G CA 0.008 45.228 45.100 0.201 0.000 0.811 461 G HN 1.197 nan 8.290 nan 0.000 0.519 462 G N -1.308 107.638 108.800 0.242 0.000 2.600 462 G HA2 0.853 4.813 3.960 -0.000 0.000 0.293 462 G HA3 0.853 4.813 3.960 -0.000 0.000 0.293 462 G C -1.469 173.528 174.900 0.162 0.000 1.408 462 G CA -0.188 45.020 45.100 0.181 0.000 0.782 462 G HN 1.003 nan 8.290 nan 0.000 0.482 463 R N -1.113 119.368 120.500 -0.032 0.000 2.594 463 R HA 0.522 4.862 4.340 -0.000 0.000 0.265 463 R C -2.345 174.028 176.300 0.122 0.000 1.070 463 R CA -0.813 55.368 56.100 0.135 0.000 0.909 463 R CB 1.855 32.204 30.300 0.082 0.000 1.243 463 R HN 0.637 nan 8.270 nan 0.000 0.455 464 Y N 2.155 122.520 120.300 0.107 0.000 2.409 464 Y HA 0.502 5.052 4.550 -0.000 0.000 0.339 464 Y C -1.052 174.688 175.900 -0.266 0.000 1.033 464 Y CA -0.361 57.706 58.100 -0.055 0.000 1.094 464 Y CB 1.852 40.230 38.460 -0.136 0.000 1.210 464 Y HN 0.594 nan 8.280 nan 0.000 0.456 465 D N 3.972 123.816 120.400 -0.928 0.000 2.671 465 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 465 D C -1.381 174.457 176.300 -0.771 0.000 1.114 465 D CA -0.210 53.427 54.000 -0.605 0.000 0.858 465 D CB 1.667 42.297 40.800 -0.284 0.000 1.544 465 D HN 0.609 nan 8.370 nan 0.000 0.471 466 W N 1.651 122.935 121.300 -0.027 0.000 2.416 466 W HA 0.468 5.128 4.660 -0.000 0.000 0.294 466 W C -0.581 175.993 176.519 0.092 0.000 0.966 466 W CA -0.841 56.522 57.345 0.029 0.000 1.686 466 W CB 1.084 30.619 29.460 0.124 0.000 1.612 466 W HN 0.287 nan 8.180 nan 0.000 0.420 467 A N 2.853 125.808 122.820 0.225 0.000 2.294 467 A HA 0.506 4.825 4.320 -0.000 0.000 0.316 467 A C -0.351 177.345 177.584 0.188 0.000 1.359 467 A CA -0.224 51.947 52.037 0.222 0.000 0.956 467 A CB 0.352 19.516 19.000 0.274 0.000 1.155 467 A HN 0.287 nan 8.150 nan 0.000 0.544 468 D N 2.451 122.956 120.400 0.176 0.000 2.375 468 D HA 0.404 5.044 4.640 -0.000 0.000 0.247 468 D C -0.149 176.216 176.300 0.109 0.000 1.061 468 D CA -0.070 54.015 54.000 0.143 0.000 0.834 468 D CB 1.628 42.517 40.800 0.149 0.000 1.247 468 D HN 0.742 nan 8.370 nan 0.000 0.489 469 Q N -0.054 119.801 119.800 0.092 0.000 2.348 469 Q HA 0.680 5.020 4.340 -0.000 0.000 0.271 469 Q C -0.907 175.128 176.000 0.059 0.000 1.067 469 Q CA -0.958 54.888 55.803 0.072 0.000 0.839 469 Q CB 2.822 31.601 28.738 0.069 0.000 1.354 469 Q HN 0.350 nan 8.270 nan 0.000 0.447 470 E N 1.242 121.471 120.200 0.048 0.000 2.334 470 E HA 0.251 4.600 4.350 -0.000 0.000 0.280 470 E C -1.886 174.727 176.600 0.023 0.000 0.899 470 E CA -0.225 56.197 56.400 0.036 0.000 0.813 470 E CB 2.081 31.805 29.700 0.039 0.000 1.318 470 E HN 0.615 nan 8.360 nan 0.000 0.399 471 S N 4.474 120.183 115.700 0.014 0.000 2.449 471 S HA 0.570 5.040 4.470 -0.000 0.000 0.310 471 S C -1.147 173.442 174.600 -0.017 0.000 1.096 471 S CA -0.744 57.454 58.200 -0.003 0.000 1.095 471 S CB 0.826 64.026 63.200 0.002 0.000 1.007 471 S HN 0.503 nan 8.310 nan 0.000 0.474 472 L N 5.650 126.851 121.223 -0.036 0.000 2.305 472 L HA 0.599 4.938 4.340 -0.000 0.000 0.284 472 L C -0.549 176.273 176.870 -0.080 0.000 1.013 472 L CA -0.282 54.532 54.840 -0.043 0.000 0.819 472 L CB 1.443 43.483 42.059 -0.031 0.000 1.227 472 L HN 0.649 nan 8.230 nan 0.000 0.417 473 N N 4.368 123.022 118.700 -0.076 0.000 2.469 473 N HA 0.207 4.946 4.740 -0.000 0.000 0.239 473 N C 0.598 176.057 175.510 -0.085 0.000 1.053 473 N CA -0.096 52.888 53.050 -0.111 0.000 0.937 473 N CB 0.806 39.246 38.487 -0.079 0.000 1.163 473 N HN 0.721 nan 8.380 nan 0.000 0.509 474 R N 1.761 122.201 120.500 -0.100 0.000 2.293 474 R HA -0.041 4.299 4.340 -0.000 0.000 0.219 474 R C 1.213 177.486 176.300 -0.044 0.000 1.091 474 R CA 0.731 56.794 56.100 -0.061 0.000 1.004 474 R CB 0.315 30.581 30.300 -0.057 0.000 0.865 474 R HN 0.355 nan 8.270 nan 0.000 0.469 475 V N -0.183 119.697 119.914 -0.057 0.000 2.403 475 V HA -0.001 4.119 4.120 -0.000 0.000 0.239 475 V C 2.050 178.133 176.094 -0.019 0.000 1.041 475 V CA 1.623 63.903 62.300 -0.033 0.000 1.051 475 V CB -0.117 31.682 31.823 -0.040 0.000 0.704 475 V HN 0.279 nan 8.190 nan 0.000 0.472 476 A N -0.214 122.593 122.820 -0.022 0.000 2.206 476 A HA 0.315 4.634 4.320 -0.000 0.000 0.211 476 A C 1.891 179.470 177.584 -0.009 0.000 1.158 476 A CA 0.993 53.025 52.037 -0.009 0.000 0.761 476 A CB -0.797 18.201 19.000 -0.003 0.000 0.801 476 A HN 1.295 nan 8.150 nan 0.000 0.473 477 G N 0.243 109.034 108.800 -0.016 0.000 2.249 477 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 477 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 477 G C 0.410 175.304 174.900 -0.010 0.000 1.036 477 G CA 0.997 46.089 45.100 -0.012 0.000 0.824 477 G HN 1.436 nan 8.290 nan 0.000 0.504 478 T N -2.859 111.687 114.554 -0.014 0.000 2.936 478 T HA 0.773 5.123 4.350 -0.000 0.000 0.282 478 T C -0.173 174.519 174.700 -0.013 0.000 1.003 478 T CA 0.039 62.133 62.100 -0.009 0.000 1.005 478 T CB 2.616 71.482 68.868 -0.003 0.000 1.097 478 T HN 0.516 nan 8.240 nan 0.000 0.532 479 T N 1.953 116.502 114.554 -0.007 0.000 3.355 479 T HA 0.334 4.684 4.350 -0.000 0.000 0.324 479 T C -1.576 173.124 174.700 -0.001 0.000 0.932 479 T CA -0.764 61.333 62.100 -0.005 0.000 1.032 479 T CB 0.868 69.735 68.868 -0.002 0.000 1.027 479 T HN 0.669 nan 8.240 nan 0.000 0.456 480 D N 3.115 123.516 120.400 0.001 0.000 2.168 480 D HA 0.466 5.106 4.640 -0.000 0.000 0.246 480 D C -0.148 176.160 176.300 0.013 0.000 1.050 480 D CA -0.438 53.565 54.000 0.003 0.000 0.857 480 D CB 2.063 42.866 40.800 0.004 0.000 1.169 480 D HN 0.317 nan 8.370 nan 0.000 0.453 481 K N 1.356 121.765 120.400 0.015 0.000 2.443 481 K HA 0.680 4.999 4.320 -0.000 0.000 0.251 481 K C -0.640 175.980 176.600 0.034 0.000 0.972 481 K CA -0.892 55.412 56.287 0.029 0.000 0.833 481 K CB 3.025 35.543 32.500 0.030 0.000 1.317 481 K HN 0.239 nan 8.250 nan 0.000 0.441 482 R N 1.297 121.828 120.500 0.052 0.000 2.579 482 R HA 0.242 4.582 4.340 -0.000 0.000 0.260 482 R C -2.109 174.241 176.300 0.084 0.000 1.103 482 R CA -0.431 55.707 56.100 0.063 0.000 0.942 482 R CB 1.254 31.593 30.300 0.066 0.000 1.251 482 R HN 0.510 nan 8.270 nan 0.000 0.450 483 D N 2.539 122.994 120.400 0.092 0.000 2.481 483 D HA 0.313 4.953 4.640 -0.000 0.000 0.246 483 D C -1.128 175.243 176.300 0.118 0.000 1.109 483 D CA -0.215 53.857 54.000 0.120 0.000 0.845 483 D CB 1.743 42.619 40.800 0.126 0.000 1.160 483 D HN 0.355 nan 8.370 nan 0.000 0.534 484 D N 1.172 121.642 120.400 0.116 0.000 2.268 484 D HA 0.379 5.018 4.640 -0.000 0.000 0.249 484 D C -0.160 176.128 176.300 -0.020 0.000 1.008 484 D CA -0.379 53.652 54.000 0.053 0.000 0.939 484 D CB 1.817 42.656 40.800 0.066 0.000 1.170 484 D HN 0.093 nan 8.370 nan 0.000 0.468 485 K N 2.047 122.349 120.400 -0.164 0.000 2.640 485 K HA 0.278 4.598 4.320 -0.000 0.000 0.245 485 K C -0.960 175.268 176.600 -0.620 0.000 0.962 485 K CA -0.634 55.393 56.287 -0.433 0.000 0.896 485 K CB 1.957 34.400 32.500 -0.094 0.000 1.147 485 K HN 0.188 nan 8.250 nan 0.000 0.445 486 Q N 1.973 121.176 119.800 -0.995 0.000 2.394 486 Q HA 0.521 4.860 4.340 -0.000 0.000 0.273 486 Q C -1.860 173.669 176.000 -0.784 0.000 1.089 486 Q CA -0.722 54.529 55.803 -0.920 0.000 0.812 486 Q CB 1.573 29.375 28.738 -1.560 0.000 1.353 486 Q HN 0.498 nan 8.270 nan 0.000 0.438 487 F N 1.658 121.352 119.950 -0.425 0.000 2.532 487 F HA 0.833 5.360 4.527 -0.000 0.000 0.321 487 F C -1.024 174.781 175.800 0.009 0.000 1.089 487 F CA -0.234 57.701 58.000 -0.109 0.000 0.926 487 F CB 1.870 40.967 39.000 0.162 0.000 1.168 487 F HN 0.559 nan 8.300 nan 0.000 0.459 488 T N 2.883 116.833 114.554 -1.008 0.000 2.894 488 T HA 0.633 4.983 4.350 -0.000 0.000 0.309 488 T C -1.430 172.825 174.700 -0.741 0.000 1.208 488 T CA -0.764 60.952 62.100 -0.640 0.000 1.016 488 T CB 1.848 70.551 68.868 -0.275 0.000 1.192 488 T HN 0.899 nan 8.240 nan 0.000 0.491 489 W N 0.990 122.009 121.300 -0.468 0.000 3.047 489 W HA 0.826 5.486 4.660 -0.000 0.000 0.341 489 W C -1.754 174.728 176.519 -0.062 0.000 1.225 489 W CA -1.238 55.977 57.345 -0.217 0.000 1.150 489 W CB 1.567 31.031 29.460 0.007 0.000 1.470 489 W HN 1.058 nan 8.180 nan 0.000 0.578 490 R N 1.127 121.609 120.500 -0.031 0.000 2.535 490 R HA 0.563 4.903 4.340 -0.000 0.000 0.274 490 R C -1.196 175.167 176.300 0.104 0.000 1.090 490 R CA -0.329 55.623 56.100 -0.248 0.000 0.930 490 R CB 1.793 31.957 30.300 -0.228 0.000 1.223 490 R HN 0.890 nan 8.270 nan 0.000 0.441 491 G N 0.998 109.850 108.800 0.087 0.000 2.617 491 G HA2 0.701 4.661 3.960 -0.000 0.000 0.306 491 G HA3 0.701 4.661 3.960 -0.000 0.000 0.306 491 G C -1.154 173.780 174.900 0.058 0.000 1.360 491 G CA -0.616 44.634 45.100 0.250 0.000 0.983 491 G HN 0.738 nan 8.290 nan 0.000 0.496 492 G N -1.092 107.681 108.800 -0.046 0.000 2.692 492 G HA2 0.675 4.635 3.960 -0.000 0.000 0.291 492 G HA3 0.675 4.635 3.960 -0.000 0.000 0.291 492 G C -1.807 172.905 174.900 -0.313 0.000 1.423 492 G CA -0.549 44.387 45.100 -0.273 0.000 0.843 492 G HN 1.078 nan 8.290 nan 0.000 0.486 493 V N 0.430 120.009 119.914 -0.558 0.000 2.686 493 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 493 V C -1.041 175.042 176.094 -0.017 0.000 1.065 493 V CA -1.108 61.058 62.300 -0.223 0.000 0.894 493 V CB 2.074 33.853 31.823 -0.073 0.000 1.004 493 V HN 0.690 nan 8.190 nan 0.000 0.424 494 N N 2.240 120.995 118.700 0.091 0.000 2.483 494 N HA 0.379 5.118 4.740 -0.000 0.000 0.267 494 N C -1.173 174.463 175.510 0.209 0.000 0.998 494 N CA -0.477 52.675 53.050 0.171 0.000 0.918 494 N CB 1.375 39.910 38.487 0.079 0.000 1.215 494 N HN 0.770 nan 8.380 nan 0.000 0.500 495 Y N 3.285 123.706 120.300 0.201 0.000 2.594 495 Y HA 0.256 4.806 4.550 -0.000 0.000 0.344 495 Y C -0.198 175.864 175.900 0.270 0.000 1.185 495 Y CA -0.701 57.542 58.100 0.238 0.000 1.565 495 Y CB 0.095 38.731 38.460 0.293 0.000 1.415 495 Y HN 0.455 nan 8.280 nan 0.000 0.488 496 L N 6.751 127.988 121.223 0.023 0.000 2.704 496 L HA 0.036 4.376 4.340 -0.000 0.000 0.279 496 L C -0.355 176.608 176.870 0.154 0.000 1.147 496 L CA 0.550 55.436 54.840 0.077 0.000 0.994 496 L CB -1.120 40.927 42.059 -0.019 0.000 1.332 496 L HN 0.458 nan 8.230 nan 0.000 0.471 497 F N 2.373 122.387 119.950 0.106 0.000 2.033 497 F HA 0.115 4.642 4.527 -0.000 0.000 0.215 497 F C 1.517 177.355 175.800 0.063 0.000 0.855 497 F CA 0.880 58.971 58.000 0.151 0.000 1.163 497 F CB 0.258 39.380 39.000 0.204 0.000 2.041 497 F HN 0.723 nan 8.300 nan 0.000 0.590 498 D N -3.123 117.444 120.400 0.279 0.000 2.292 498 D HA 0.000 4.640 4.640 -0.000 0.000 0.322 498 D C 0.444 176.837 176.300 0.155 0.000 1.087 498 D CA 0.080 54.157 54.000 0.129 0.000 0.857 498 D CB -0.887 39.933 40.800 0.033 0.000 1.445 498 D HN 0.324 nan 8.370 nan 0.000 0.528 499 N N 0.811 119.667 118.700 0.261 0.000 2.336 499 N HA 0.196 4.936 4.740 -0.000 0.000 0.189 499 N C 1.470 177.166 175.510 0.311 0.000 1.113 499 N CA 0.971 54.173 53.050 0.255 0.000 0.858 499 N CB 1.010 39.669 38.487 0.288 0.000 0.970 499 N HN 0.389 nan 8.380 nan 0.000 0.471 500 G N 0.451 109.406 108.800 0.258 0.000 2.697 500 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.200 500 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.200 500 G C -0.000 175.052 174.900 0.253 0.000 1.106 500 G CA -0.093 45.084 45.100 0.128 0.000 0.748 500 G HN 0.666 nan 8.290 nan 0.000 0.503 501 V N 1.003 121.146 119.914 0.381 0.000 2.814 501 V HA 0.568 4.688 4.120 -0.000 0.000 0.307 501 V C 0.016 176.138 176.094 0.048 0.000 1.089 501 V CA 1.137 63.532 62.300 0.159 0.000 1.212 501 V CB 1.009 32.750 31.823 -0.137 0.000 0.912 501 V HN 0.828 nan 8.190 nan 0.000 0.497 502 T N 6.718 121.314 114.554 0.070 0.000 3.078 502 T HA 0.457 4.807 4.350 -0.000 0.000 0.328 502 T C -2.771 172.034 174.700 0.174 0.000 0.987 502 T CA -0.645 61.535 62.100 0.134 0.000 1.049 502 T CB 1.508 70.466 68.868 0.150 0.000 1.011 502 T HN 0.673 nan 8.240 nan 0.000 0.463 503 P HA 0.488 nan 4.420 nan 0.000 0.274 503 P C -1.275 176.204 177.300 0.298 0.000 1.231 503 P CA -0.395 62.789 63.100 0.140 0.000 0.790 503 P CB 0.338 32.084 31.700 0.077 0.000 0.951 504 Y N 0.703 121.097 120.300 0.158 0.000 2.565 504 Y HA 0.734 5.284 4.550 -0.000 0.000 0.330 504 Y C -1.915 174.117 175.900 0.221 0.000 1.150 504 Y CA -1.679 56.508 58.100 0.144 0.000 1.055 504 Y CB 0.722 39.213 38.460 0.051 0.000 1.337 504 Y HN 0.434 nan 8.280 nan 0.000 0.457 505 F N 0.828 120.884 119.950 0.177 0.000 2.662 505 F HA 0.944 5.471 4.527 -0.000 0.000 0.312 505 F C -1.219 174.716 175.800 0.225 0.000 1.113 505 F CA -0.475 57.589 58.000 0.107 0.000 0.951 505 F CB 1.977 41.021 39.000 0.073 0.000 1.344 505 F HN 1.161 nan 8.300 nan 0.000 0.462 506 S N 0.952 116.789 115.700 0.228 0.000 2.614 506 S HA 0.448 4.918 4.470 -0.000 0.000 0.280 506 S C -2.356 172.375 174.600 0.218 0.000 1.111 506 S CA -0.860 57.394 58.200 0.090 0.000 0.847 506 S CB 0.952 64.138 63.200 -0.022 0.000 1.079 506 S HN 1.472 nan 8.310 nan 0.000 0.452 507 Y N 1.464 121.765 120.300 0.003 0.000 2.377 507 Y HA 0.788 5.338 4.550 -0.000 0.000 0.339 507 Y C -0.252 175.409 175.900 -0.399 0.000 1.011 507 Y CA -0.096 57.901 58.100 -0.171 0.000 1.093 507 Y CB 1.981 40.363 38.460 -0.129 0.000 1.201 507 Y HN 1.056 nan 8.280 nan 0.000 0.455 508 S N 4.010 119.016 115.700 -1.157 0.000 2.564 508 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 508 S C -1.680 172.277 174.600 -1.072 0.000 1.124 508 S CA -0.730 56.910 58.200 -0.933 0.000 0.869 508 S CB 1.276 64.163 63.200 -0.521 0.000 1.105 508 S HN 0.801 nan 8.310 nan 0.000 0.472 509 E N 0.838 120.591 120.200 -0.745 0.000 2.369 509 E HA 0.686 5.036 4.350 -0.000 0.000 0.270 509 E C -1.276 175.132 176.600 -0.320 0.000 0.909 509 E CA -0.983 55.104 56.400 -0.522 0.000 0.775 509 E CB 2.069 31.523 29.700 -0.409 0.000 1.270 509 E HN 0.625 nan 8.360 nan 0.000 0.445 510 S N 0.536 116.105 115.700 -0.219 0.000 2.607 510 S HA 0.794 5.263 4.470 -0.000 0.000 0.273 510 S C -1.339 173.254 174.600 -0.011 0.000 1.148 510 S CA -0.978 57.138 58.200 -0.141 0.000 0.833 510 S CB 1.184 64.243 63.200 -0.236 0.000 1.130 510 S HN 0.568 nan 8.310 nan 0.000 0.470 511 F N -0.657 119.201 119.950 -0.155 0.000 2.608 511 F HA 0.837 5.364 4.527 -0.000 0.000 0.309 511 F C -1.044 174.699 175.800 -0.096 0.000 1.103 511 F CA -0.673 57.258 58.000 -0.116 0.000 0.954 511 F CB 1.673 40.613 39.000 -0.099 0.000 1.267 511 F HN 0.849 nan 8.300 nan 0.000 0.444 512 E N 5.181 125.253 120.200 -0.214 0.000 2.316 512 E HA 0.471 4.821 4.350 -0.000 0.000 0.254 512 E C -2.975 173.597 176.600 -0.046 0.000 0.902 512 E CA -2.373 53.865 56.400 -0.270 0.000 0.801 512 E CB 2.119 31.691 29.700 -0.213 0.000 1.270 512 E HN 0.402 nan 8.360 nan 0.000 0.414 513 P HA -0.011 nan 4.420 nan 0.000 0.269 513 P C -0.883 176.462 177.300 0.075 0.000 1.217 513 P CA -0.132 63.033 63.100 0.108 0.000 0.783 513 P CB 1.005 32.785 31.700 0.134 0.000 0.898 514 S N -0.080 115.691 115.700 0.120 0.000 2.593 514 S HA 0.398 4.868 4.470 -0.000 0.000 0.297 514 S C 0.895 175.586 174.600 0.151 0.000 1.112 514 S CA -0.169 58.116 58.200 0.142 0.000 1.043 514 S CB 0.411 63.743 63.200 0.219 0.000 1.054 514 S HN 0.435 nan 8.310 nan 0.000 0.516 515 S N 2.110 117.901 115.700 0.152 0.000 2.540 515 S HA 0.267 4.736 4.470 -0.000 0.000 0.222 515 S C 0.127 174.828 174.600 0.169 0.000 1.008 515 S CA -0.441 57.840 58.200 0.135 0.000 0.939 515 S CB 0.014 63.280 63.200 0.111 0.000 0.865 515 S HN 0.648 nan 8.310 nan 0.000 0.499 516 Q N 1.787 121.746 119.800 0.267 0.000 2.340 516 Q HA 0.434 4.773 4.340 -0.000 0.000 0.249 516 Q C -0.544 175.575 176.000 0.199 0.000 0.957 516 Q CA -0.176 55.838 55.803 0.350 0.000 0.882 516 Q CB 1.650 30.713 28.738 0.542 0.000 1.235 516 Q HN 0.252 nan 8.270 nan 0.000 0.439 517 V N 1.879 121.825 119.914 0.052 0.000 2.398 517 V HA 0.702 4.822 4.120 -0.000 0.000 0.286 517 V C 0.359 176.206 176.094 -0.412 0.000 1.026 517 V CA -0.121 62.038 62.300 -0.234 0.000 0.868 517 V CB 1.266 33.063 31.823 -0.042 0.000 0.982 517 V HN 0.837 nan 8.190 nan 0.000 0.443 518 G N 4.388 112.578 108.800 -1.017 0.000 2.489 518 G HA2 0.165 4.124 3.960 -0.000 0.000 0.271 518 G HA3 0.165 4.124 3.960 -0.000 0.000 0.271 518 G C 0.534 174.809 174.900 -1.042 0.000 1.427 518 G CA 0.184 44.776 45.100 -0.847 0.000 1.057 518 G HN 0.874 nan 8.290 nan 0.000 0.532 519 K N -0.278 119.509 120.400 -1.021 0.000 2.103 519 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 519 K C 1.635 177.782 176.600 -0.754 0.000 1.052 519 K CA 1.498 56.943 56.287 -1.404 0.000 0.945 519 K CB -0.071 32.129 32.500 -0.500 0.000 0.722 519 K HN 0.568 nan 8.250 nan 0.000 0.443 520 D N -0.422 119.702 120.400 -0.460 0.000 2.348 520 D HA -0.029 4.611 4.640 -0.000 0.000 0.248 520 D C 0.895 177.037 176.300 -0.263 0.000 1.142 520 D CA 0.885 54.718 54.000 -0.278 0.000 0.904 520 D CB -0.266 40.422 40.800 -0.185 0.000 0.901 520 D HN 0.425 nan 8.370 nan 0.000 0.523 521 G N 0.310 108.900 108.800 -0.352 0.000 2.180 521 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.263 521 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.263 521 G C 0.015 174.804 174.900 -0.184 0.000 0.989 521 G CA 0.347 45.314 45.100 -0.221 0.000 0.692 521 G HN 0.553 nan 8.290 nan 0.000 0.526 522 N N -0.600 117.954 118.700 -0.242 0.000 2.443 522 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 522 N C 0.197 175.546 175.510 -0.267 0.000 1.159 522 N CA -1.192 51.742 53.050 -0.192 0.000 0.904 522 N CB 0.838 39.237 38.487 -0.146 0.000 1.214 522 N HN -0.060 nan 8.380 nan 0.000 0.513 523 I N 2.594 123.073 120.570 -0.151 0.000 2.556 523 I HA 0.076 4.246 4.170 -0.000 0.000 0.284 523 I C 0.430 176.500 176.117 -0.078 0.000 1.114 523 I CA 0.134 61.367 61.300 -0.112 0.000 1.418 523 I CB -0.407 37.596 38.000 0.004 0.000 1.394 523 I HN 0.399 nan 8.210 nan 0.000 0.552 524 F N 3.889 123.865 119.950 0.044 0.000 2.586 524 F HA 0.180 4.707 4.527 -0.000 0.000 0.335 524 F C 1.194 177.023 175.800 0.048 0.000 1.210 524 F CA 0.120 58.146 58.000 0.044 0.000 1.359 524 F CB 0.185 39.219 39.000 0.055 0.000 1.142 524 F HN 0.552 nan 8.300 nan 0.000 0.606 525 A N 1.845 124.839 122.820 0.290 0.000 2.272 525 A HA 0.586 4.906 4.320 -0.000 0.000 0.275 525 A C -2.448 175.233 177.584 0.160 0.000 1.096 525 A CA -1.477 50.665 52.037 0.175 0.000 0.822 525 A CB -0.321 18.760 19.000 0.136 0.000 1.088 525 A HN 0.463 nan 8.150 nan 0.000 0.495 526 P HA 0.266 nan 4.420 nan 0.000 0.277 526 P C -0.279 177.076 177.300 0.091 0.000 1.240 526 P CA -0.244 62.937 63.100 0.135 0.000 0.798 526 P CB 1.125 32.956 31.700 0.219 0.000 0.979 527 S N 1.464 117.194 115.700 0.048 0.000 2.672 527 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 527 S C -0.412 174.189 174.600 0.002 0.000 1.207 527 S CA -0.484 57.718 58.200 0.005 0.000 1.002 527 S CB 0.768 63.946 63.200 -0.038 0.000 0.998 527 S HN 0.280 nan 8.310 nan 0.000 0.542 528 K N -0.202 120.179 120.400 -0.031 0.000 2.435 528 K HA 0.644 4.964 4.320 -0.000 0.000 0.251 528 K C -0.562 175.956 176.600 -0.136 0.000 0.954 528 K CA -0.914 55.348 56.287 -0.042 0.000 0.820 528 K CB 2.321 34.827 32.500 0.011 0.000 1.292 528 K HN 0.828 nan 8.250 nan 0.000 0.436 529 G N 1.663 110.355 108.800 -0.180 0.000 2.461 529 G HA2 0.512 4.472 3.960 -0.000 0.000 0.323 529 G HA3 0.512 4.472 3.960 -0.000 0.000 0.323 529 G C -1.068 173.664 174.900 -0.280 0.000 1.229 529 G CA -0.515 44.421 45.100 -0.274 0.000 0.941 529 G HN 0.210 nan 8.290 nan 0.000 0.477 530 K N 1.669 121.897 120.400 -0.287 0.000 2.471 530 K HA 0.395 4.715 4.320 -0.000 0.000 0.252 530 K C -0.953 175.398 176.600 -0.415 0.000 0.938 530 K CA -0.658 55.401 56.287 -0.380 0.000 0.796 530 K CB 2.718 35.116 32.500 -0.171 0.000 1.161 530 K HN 0.713 nan 8.250 nan 0.000 0.425 531 Q N 2.736 122.162 119.800 -0.623 0.000 2.323 531 Q HA 0.390 4.730 4.340 -0.000 0.000 0.271 531 Q C -1.504 174.233 176.000 -0.438 0.000 1.048 531 Q CA -0.724 54.837 55.803 -0.404 0.000 0.792 531 Q CB 1.441 30.013 28.738 -0.276 0.000 1.280 531 Q HN 0.480 nan 8.270 nan 0.000 0.441 532 Y N 1.772 122.120 120.300 0.081 0.000 2.334 532 Y HA 0.401 4.950 4.550 -0.000 0.000 0.336 532 Y C -0.278 175.719 175.900 0.160 0.000 0.960 532 Y CA -0.581 57.614 58.100 0.157 0.000 1.164 532 Y CB 1.679 40.244 38.460 0.175 0.000 1.155 532 Y HN 0.592 nan 8.280 nan 0.000 0.478 533 E N 2.975 123.352 120.200 0.296 0.000 2.292 533 E HA 0.733 5.083 4.350 -0.000 0.000 0.272 533 E C -1.810 174.905 176.600 0.193 0.000 0.881 533 E CA -0.960 55.586 56.400 0.243 0.000 0.754 533 E CB 2.160 31.990 29.700 0.218 0.000 1.201 533 E HN 0.464 nan 8.360 nan 0.000 0.425 534 V N 0.299 120.250 119.914 0.062 0.000 2.971 534 V HA 1.043 5.163 4.120 -0.000 0.000 0.309 534 V C -0.363 175.542 176.094 -0.315 0.000 1.130 534 V CA 0.245 62.493 62.300 -0.087 0.000 0.964 534 V CB 1.395 33.232 31.823 0.023 0.000 1.029 534 V HN 0.857 nan 8.190 nan 0.000 0.427 535 G N 1.351 109.751 108.800 -0.668 0.000 2.349 535 G HA2 0.693 4.653 3.960 -0.000 0.000 0.294 535 G HA3 0.693 4.653 3.960 -0.000 0.000 0.294 535 G C -1.244 173.363 174.900 -0.489 0.000 1.380 535 G CA 0.098 44.888 45.100 -0.517 0.000 0.811 535 G HN 2.121 nan 8.290 nan 0.000 0.519 536 V N -2.486 117.387 119.914 -0.067 0.000 2.823 536 V HA 0.938 5.058 4.120 -0.000 0.000 0.312 536 V C -0.774 175.469 176.094 0.249 0.000 1.072 536 V CA -1.299 61.073 62.300 0.119 0.000 0.937 536 V CB 1.852 33.692 31.823 0.029 0.000 1.013 536 V HN 0.804 nan 8.190 nan 0.000 0.430 537 K N 3.053 123.614 120.400 0.268 0.000 2.426 537 K HA 0.469 4.789 4.320 -0.000 0.000 0.254 537 K C -1.935 174.780 176.600 0.191 0.000 0.936 537 K CA -0.561 55.850 56.287 0.207 0.000 0.801 537 K CB 2.432 35.013 32.500 0.136 0.000 1.139 537 K HN 0.832 nan 8.250 nan 0.000 0.424 538 Y N 2.970 123.298 120.300 0.045 0.000 2.434 538 Y HA 0.275 4.825 4.550 -0.000 0.000 0.341 538 Y C -0.761 175.155 175.900 0.027 0.000 0.965 538 Y CA -0.798 57.320 58.100 0.030 0.000 1.205 538 Y CB 0.798 39.273 38.460 0.024 0.000 1.121 538 Y HN 0.274 nan 8.280 nan 0.000 0.507 539 V N 9.400 129.122 119.914 -0.318 0.000 2.271 539 V HA 0.254 4.374 4.120 -0.000 0.000 0.259 539 V C -2.191 173.644 176.094 -0.432 0.000 1.030 539 V CA -1.698 60.411 62.300 -0.317 0.000 0.957 539 V CB 0.193 31.930 31.823 -0.145 0.000 1.186 539 V HN 0.691 nan 8.190 nan 0.000 0.471 540 P HA 0.008 nan 4.420 nan 0.000 0.264 540 P C 0.456 177.622 177.300 -0.223 0.000 1.183 540 P CA 0.378 63.175 63.100 -0.506 0.000 0.763 540 P CB 1.671 33.057 31.700 -0.523 0.000 0.807 541 E N 2.415 122.540 120.200 -0.125 0.000 2.299 541 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 541 E C 1.098 177.666 176.600 -0.053 0.000 0.998 541 E CA 1.265 57.619 56.400 -0.076 0.000 0.851 541 E CB -0.173 29.499 29.700 -0.047 0.000 0.795 541 E HN 0.437 nan 8.360 nan 0.000 0.492 542 D N 0.041 120.416 120.400 -0.042 0.000 2.165 542 D HA -0.074 4.566 4.640 -0.000 0.000 0.213 542 D C 0.332 176.619 176.300 -0.023 0.000 0.983 542 D CA 0.336 54.324 54.000 -0.021 0.000 0.881 542 D CB -0.496 40.304 40.800 0.001 0.000 1.028 542 D HN 0.032 nan 8.370 nan 0.000 0.457 543 R N 1.796 122.285 120.500 -0.018 0.000 2.490 543 R HA 0.314 4.654 4.340 -0.000 0.000 0.278 543 R C -1.989 174.293 176.300 -0.029 0.000 1.069 543 R CA -1.406 54.688 56.100 -0.009 0.000 1.080 543 R CB 0.160 30.474 30.300 0.023 0.000 1.030 543 R HN 0.160 nan 8.270 nan 0.000 0.491 544 P HA 0.080 nan 4.420 nan 0.000 0.225 544 P C -0.822 176.471 177.300 -0.011 0.000 1.813 544 P CA 0.192 63.278 63.100 -0.023 0.000 1.013 544 P CB -0.363 31.328 31.700 -0.015 0.000 1.961 545 I N -1.460 119.097 120.570 -0.022 0.000 2.582 545 I HA 0.646 4.816 4.170 -0.000 0.000 0.292 545 I C -1.299 174.807 176.117 -0.019 0.000 1.066 545 I CA -1.409 59.897 61.300 0.010 0.000 1.053 545 I CB 2.699 40.740 38.000 0.069 0.000 1.241 545 I HN -0.308 nan 8.210 nan 0.000 0.421 546 V N 5.994 125.920 119.914 0.020 0.000 2.588 546 V HA 0.641 4.761 4.120 -0.000 0.000 0.304 546 V C -0.360 175.786 176.094 0.087 0.000 1.042 546 V CA -0.641 61.670 62.300 0.019 0.000 0.877 546 V CB 2.035 33.855 31.823 -0.005 0.000 0.996 546 V HN 0.628 nan 8.190 nan 0.000 0.425 547 V N 3.312 123.306 119.914 0.134 0.000 2.668 547 V HA 0.680 4.799 4.120 -0.000 0.000 0.304 547 V C -0.330 175.858 176.094 0.156 0.000 1.071 547 V CA -0.195 62.200 62.300 0.158 0.000 0.894 547 V CB 2.301 34.246 31.823 0.203 0.000 1.008 547 V HN 0.975 nan 8.190 nan 0.000 0.425 548 T N 2.968 117.601 114.554 0.132 0.000 2.906 548 T HA 0.879 5.229 4.350 -0.000 0.000 0.295 548 T C -0.378 174.410 174.700 0.147 0.000 1.061 548 T CA 0.104 62.294 62.100 0.151 0.000 1.000 548 T CB 1.917 70.869 68.868 0.139 0.000 1.103 548 T HN 1.122 nan 8.240 nan 0.000 0.486 549 G N 0.790 109.686 108.800 0.160 0.000 2.696 549 G HA2 0.833 4.793 3.960 -0.000 0.000 0.295 549 G HA3 0.833 4.793 3.960 -0.000 0.000 0.295 549 G C -1.406 173.576 174.900 0.136 0.000 1.398 549 G CA -0.234 44.947 45.100 0.136 0.000 0.920 549 G HN 1.113 nan 8.290 nan 0.000 0.492 550 A N -0.315 122.587 122.820 0.137 0.000 2.604 550 A HA 0.842 5.162 4.320 -0.000 0.000 0.295 550 A C -1.653 176.019 177.584 0.146 0.000 1.067 550 A CA -0.510 51.600 52.037 0.122 0.000 0.683 550 A CB 1.838 20.966 19.000 0.213 0.000 1.281 550 A HN 2.068 nan 8.150 nan 0.000 0.407 551 V N 2.236 122.216 119.914 0.110 0.000 2.656 551 V HA 0.905 5.024 4.120 -0.000 0.000 0.307 551 V C -1.510 174.661 176.094 0.127 0.000 1.051 551 V CA -0.509 61.832 62.300 0.070 0.000 0.893 551 V CB 1.737 33.569 31.823 0.016 0.000 0.999 551 V HN 1.615 nan 8.190 nan 0.000 0.426 552 Y N 3.606 123.949 120.300 0.070 0.000 2.615 552 Y HA 0.638 5.187 4.550 -0.000 0.000 0.341 552 Y C -0.907 175.045 175.900 0.087 0.000 1.089 552 Y CA -1.309 56.838 58.100 0.078 0.000 1.049 552 Y CB 1.763 40.255 38.460 0.053 0.000 1.296 552 Y HN 0.553 nan 8.280 nan 0.000 0.470 553 N N 2.566 121.433 118.700 0.280 0.000 2.648 553 N HA 0.254 4.994 4.740 -0.000 0.000 0.261 553 N C -2.354 173.322 175.510 0.275 0.000 1.138 553 N CA -0.245 52.936 53.050 0.218 0.000 0.804 553 N CB 1.364 39.981 38.487 0.216 0.000 1.237 553 N HN 0.805 nan 8.380 nan 0.000 0.532 554 L N 2.838 124.257 121.223 0.327 0.000 2.282 554 L HA 0.589 4.928 4.340 -0.000 0.000 0.288 554 L C -0.684 176.253 176.870 0.112 0.000 1.033 554 L CA 0.102 55.039 54.840 0.161 0.000 0.807 554 L CB 1.420 43.573 42.059 0.157 0.000 1.209 554 L HN 0.286 nan 8.230 nan 0.000 0.423 555 T N 5.008 119.551 114.554 -0.018 0.000 2.841 555 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 555 T C -0.698 173.903 174.700 -0.164 0.000 0.991 555 T CA -0.629 61.457 62.100 -0.024 0.000 0.966 555 T CB 1.191 70.081 68.868 0.037 0.000 0.962 555 T HN 0.547 nan 8.240 nan 0.000 0.438 556 K N 3.000 123.266 120.400 -0.222 0.000 2.227 556 K HA 0.541 4.861 4.320 -0.000 0.000 0.280 556 K C -0.021 176.519 176.600 -0.101 0.000 1.041 556 K CA -0.444 55.663 56.287 -0.300 0.000 0.905 556 K CB 0.611 32.820 32.500 -0.485 0.000 1.068 556 K HN 0.766 nan 8.250 nan 0.000 0.470 557 T N 0.786 115.294 114.554 -0.077 0.000 2.942 557 T HA 0.247 4.596 4.350 -0.000 0.000 0.289 557 T C 0.094 174.790 174.700 -0.007 0.000 1.044 557 T CA -0.751 61.340 62.100 -0.015 0.000 1.023 557 T CB 1.114 69.986 68.868 0.006 0.000 1.123 557 T HN 0.779 nan 8.240 nan 0.000 0.512 558 N N 0.339 119.047 118.700 0.014 0.000 2.740 558 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 558 N C -0.841 174.661 175.510 -0.012 0.000 1.062 558 N CA 0.544 53.600 53.050 0.009 0.000 0.704 558 N CB -1.606 36.893 38.487 0.021 0.000 0.968 558 N HN 0.859 nan 8.380 nan 0.000 0.547 559 N N 0.343 119.045 118.700 0.004 0.000 2.488 559 N HA 0.287 5.027 4.740 -0.000 0.000 0.274 559 N C -0.128 175.364 175.510 -0.029 0.000 1.111 559 N CA -0.324 52.730 53.050 0.008 0.000 0.974 559 N CB 0.538 39.073 38.487 0.079 0.000 1.089 559 N HN 0.299 nan 8.380 nan 0.000 0.465 560 L N 3.540 124.702 121.223 -0.101 0.000 2.490 560 L HA 0.175 4.514 4.340 -0.000 0.000 0.274 560 L C 0.722 177.554 176.870 -0.064 0.000 1.201 560 L CA 0.118 54.838 54.840 -0.200 0.000 0.869 560 L CB 0.038 41.887 42.059 -0.350 0.000 1.123 560 L HN 0.575 nan 8.230 nan 0.000 0.484 561 M N 2.146 121.709 119.600 -0.061 0.000 2.744 561 M HA 0.777 5.257 4.480 -0.000 0.000 0.283 561 M C -0.626 175.668 176.300 -0.010 0.000 1.275 561 M CA -0.931 54.362 55.300 -0.011 0.000 0.796 561 M CB 1.836 34.430 32.600 -0.010 0.000 1.739 561 M HN 0.424 nan 8.290 nan 0.000 0.454 562 A N 1.164 123.966 122.820 -0.030 0.000 2.466 562 A HA 0.184 4.504 4.320 -0.000 0.000 0.238 562 A C -0.382 177.212 177.584 0.016 0.000 1.074 562 A CA 0.086 52.114 52.037 -0.014 0.000 0.774 562 A CB -0.122 18.828 19.000 -0.083 0.000 1.015 562 A HN 0.820 nan 8.150 nan 0.000 0.498 563 D N 1.603 122.043 120.400 0.066 0.000 2.383 563 D HA 0.224 4.864 4.640 -0.000 0.000 0.252 563 D C -1.588 174.740 176.300 0.047 0.000 1.166 563 D CA -1.676 52.376 54.000 0.087 0.000 0.879 563 D CB 1.017 41.904 40.800 0.145 0.000 1.164 563 D HN 0.119 nan 8.370 nan 0.000 0.462 564 P HA -0.124 nan 4.420 nan 0.000 0.218 564 P C 0.115 177.428 177.300 0.023 0.000 1.146 564 P CA 1.096 64.205 63.100 0.015 0.000 0.813 564 P CB 0.142 31.854 31.700 0.018 0.000 0.778 565 E N -1.044 119.183 120.200 0.044 0.000 2.651 565 E HA 0.271 4.621 4.350 -0.000 0.000 0.213 565 E C 0.324 176.964 176.600 0.067 0.000 1.028 565 E CA -0.511 55.918 56.400 0.047 0.000 1.183 565 E CB -0.523 29.206 29.700 0.048 0.000 1.188 565 E HN -0.011 nan 8.360 nan 0.000 0.444 566 G N 2.330 111.171 108.800 0.069 0.000 2.528 566 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.231 566 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.231 566 G C 0.348 175.338 174.900 0.149 0.000 0.143 566 G CA 0.821 45.979 45.100 0.096 0.000 1.122 566 G HN 0.554 nan 8.290 nan 0.000 0.525 567 S N 2.216 118.038 115.700 0.204 0.000 2.941 567 S HA 0.459 4.929 4.470 -0.000 0.000 0.248 567 S C 0.879 175.683 174.600 0.341 0.000 0.962 567 S CA 0.560 58.907 58.200 0.244 0.000 1.092 567 S CB 0.100 63.437 63.200 0.229 0.000 1.113 567 S HN 1.511 nan 8.310 nan 0.000 0.512 568 F N -0.355 119.570 119.950 -0.042 0.000 2.571 568 F HA -0.265 4.261 4.527 -0.000 0.000 0.671 568 F C 0.372 176.093 175.800 -0.131 0.000 0.488 568 F CA 1.248 59.152 58.000 -0.161 0.000 0.731 568 F CB -1.676 37.108 39.000 -0.360 0.000 1.619 568 F HN 0.497 nan 8.300 nan 0.000 0.262 569 F N 1.512 121.630 119.950 0.281 0.000 2.459 569 F HA 0.403 4.930 4.527 -0.000 0.000 0.346 569 F C 1.160 177.097 175.800 0.229 0.000 1.128 569 F CA 0.192 58.332 58.000 0.233 0.000 1.268 569 F CB 0.450 39.561 39.000 0.185 0.000 1.161 569 F HN -0.194 nan 8.300 nan 0.000 0.583 570 S N 0.770 116.776 115.700 0.510 0.000 2.686 570 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 570 S C -0.665 174.118 174.600 0.305 0.000 1.194 570 S CA -0.714 57.656 58.200 0.284 0.000 0.990 570 S CB 1.547 64.811 63.200 0.107 0.000 1.029 570 S HN 0.309 nan 8.310 nan 0.000 0.560 571 V N 1.357 121.307 119.914 0.059 0.000 2.808 571 V HA 0.325 4.445 4.120 -0.000 0.000 0.308 571 V C -0.136 175.893 176.094 -0.107 0.000 1.099 571 V CA -0.905 61.438 62.300 0.072 0.000 0.920 571 V CB 1.913 33.792 31.823 0.093 0.000 1.014 571 V HN 1.002 nan 8.190 nan 0.000 0.425 572 E N 2.368 122.513 120.200 -0.092 0.000 2.385 572 E HA 0.650 5.000 4.350 -0.000 0.000 0.254 572 E C 0.813 177.404 176.600 -0.016 0.000 1.228 572 E CA 0.017 56.347 56.400 -0.117 0.000 0.956 572 E CB 1.008 30.672 29.700 -0.058 0.000 1.116 572 E HN 1.205 nan 8.360 nan 0.000 0.507 573 G N -0.596 108.201 108.800 -0.004 0.000 2.184 573 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.206 573 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.206 573 G C 0.396 175.314 174.900 0.030 0.000 0.995 573 G CA -0.269 44.844 45.100 0.022 0.000 0.651 573 G HN 0.841 nan 8.290 nan 0.000 0.511 574 G N -0.466 108.351 108.800 0.028 0.000 2.537 574 G HA2 0.578 4.537 3.960 -0.000 0.000 0.273 574 G HA3 0.578 4.537 3.960 -0.000 0.000 0.273 574 G C -0.368 174.580 174.900 0.081 0.000 1.189 574 G CA 0.502 45.641 45.100 0.066 0.000 0.881 574 G HN 0.611 nan 8.290 nan 0.000 0.535 575 E N -0.585 119.685 120.200 0.118 0.000 2.331 575 E HA 0.539 4.889 4.350 -0.000 0.000 0.275 575 E C -1.284 175.393 176.600 0.129 0.000 0.895 575 E CA -0.701 55.760 56.400 0.102 0.000 0.753 575 E CB 1.937 31.684 29.700 0.077 0.000 1.216 575 E HN 0.365 nan 8.360 nan 0.000 0.434 576 I N 3.129 123.761 120.570 0.103 0.000 2.582 576 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 576 I C -0.476 175.735 176.117 0.156 0.000 1.066 576 I CA -0.898 60.450 61.300 0.080 0.000 1.053 576 I CB 2.144 40.181 38.000 0.061 0.000 1.241 576 I HN 0.401 nan 8.210 nan 0.000 0.421 577 R N 4.564 125.120 120.500 0.094 0.000 2.599 577 R HA 0.843 5.183 4.340 -0.000 0.000 0.295 577 R C -1.504 174.845 176.300 0.082 0.000 0.963 577 R CA -0.520 55.652 56.100 0.120 0.000 0.883 577 R CB 2.032 32.374 30.300 0.069 0.000 1.171 577 R HN 0.771 nan 8.270 nan 0.000 0.450 578 A N 5.518 128.445 122.820 0.178 0.000 2.340 578 A HA 0.436 4.756 4.320 -0.000 0.000 0.297 578 A C -0.922 176.748 177.584 0.142 0.000 1.195 578 A CA -0.940 51.170 52.037 0.122 0.000 0.769 578 A CB 0.666 19.792 19.000 0.210 0.000 1.163 578 A HN 0.880 nan 8.150 nan 0.000 0.472 579 R N 2.022 122.463 120.500 -0.099 0.000 2.534 579 R HA 0.853 5.192 4.340 -0.000 0.000 0.301 579 R C 0.026 176.004 176.300 -0.536 0.000 0.961 579 R CA -0.344 55.559 56.100 -0.329 0.000 0.871 579 R CB 1.965 32.177 30.300 -0.147 0.000 1.170 579 R HN 0.914 nan 8.270 nan 0.000 0.446 580 G N 0.901 109.065 108.800 -1.059 0.000 2.600 580 G HA2 0.486 4.446 3.960 -0.000 0.000 0.293 580 G HA3 0.486 4.446 3.960 -0.000 0.000 0.293 580 G C -1.712 172.972 174.900 -0.359 0.000 1.408 580 G CA -0.689 44.071 45.100 -0.567 0.000 0.782 580 G HN 0.376 nan 8.290 nan 0.000 0.482 581 V N 0.280 120.231 119.914 0.061 0.000 2.680 581 V HA 0.661 4.780 4.120 -0.000 0.000 0.309 581 V C -0.719 175.484 176.094 0.182 0.000 1.052 581 V CA -0.737 61.655 62.300 0.153 0.000 0.908 581 V CB 1.681 33.630 31.823 0.211 0.000 1.001 581 V HN 0.796 nan 8.190 nan 0.000 0.431 582 E N 4.986 125.303 120.200 0.195 0.000 2.263 582 E HA 0.665 5.014 4.350 -0.000 0.000 0.268 582 E C -1.178 175.522 176.600 0.168 0.000 0.884 582 E CA -0.637 55.859 56.400 0.159 0.000 0.766 582 E CB 2.965 32.759 29.700 0.156 0.000 1.196 582 E HN 0.738 nan 8.360 nan 0.000 0.416 583 I N -0.749 119.928 120.570 0.179 0.000 2.533 583 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 583 I C -0.849 175.360 176.117 0.154 0.000 1.056 583 I CA -0.674 60.728 61.300 0.170 0.000 1.057 583 I CB 2.095 40.207 38.000 0.187 0.000 1.240 583 I HN 0.518 nan 8.210 nan 0.000 0.423 584 E N 4.968 125.246 120.200 0.130 0.000 2.343 584 E HA 0.870 5.219 4.350 -0.000 0.000 0.270 584 E C -1.735 174.933 176.600 0.113 0.000 0.895 584 E CA -1.134 55.337 56.400 0.118 0.000 0.767 584 E CB 2.499 32.255 29.700 0.092 0.000 1.248 584 E HN 0.979 nan 8.360 nan 0.000 0.440 585 A N 3.467 126.355 122.820 0.114 0.000 2.491 585 A HA 0.524 4.843 4.320 -0.000 0.000 0.293 585 A C -1.548 176.098 177.584 0.103 0.000 1.047 585 A CA -0.800 51.301 52.037 0.107 0.000 0.735 585 A CB 1.249 20.315 19.000 0.110 0.000 1.281 585 A HN 0.495 nan 8.150 nan 0.000 0.398 586 K N 0.882 121.333 120.400 0.084 0.000 2.427 586 K HA 0.853 5.173 4.320 -0.000 0.000 0.252 586 K C -0.420 176.221 176.600 0.068 0.000 0.931 586 K CA -0.401 55.931 56.287 0.075 0.000 0.793 586 K CB 2.630 35.159 32.500 0.048 0.000 1.211 586 K HN 1.181 nan 8.250 nan 0.000 0.426 587 A N 0.820 123.683 122.820 0.072 0.000 2.515 587 A HA 0.842 5.162 4.320 -0.000 0.000 0.299 587 A C -1.700 175.916 177.584 0.053 0.000 1.179 587 A CA -0.649 51.423 52.037 0.060 0.000 0.656 587 A CB 1.597 20.639 19.000 0.070 0.000 1.306 587 A HN 0.641 nan 8.150 nan 0.000 0.459 588 A N 0.365 123.209 122.820 0.040 0.000 3.317 588 A HA 0.533 4.853 4.320 -0.000 0.000 0.307 588 A C 0.310 177.908 177.584 0.025 0.000 1.003 588 A CA -0.306 51.748 52.037 0.029 0.000 0.882 588 A CB -0.820 18.190 19.000 0.017 0.000 1.136 588 A HN 0.811 nan 8.150 nan 0.000 0.488 589 L N 0.081 121.324 121.223 0.033 0.000 2.651 589 L HA 0.009 4.348 4.340 -0.000 0.000 0.236 589 L C 1.104 177.987 176.870 0.020 0.000 1.173 589 L CA 1.243 56.102 54.840 0.033 0.000 0.843 589 L CB -0.359 41.725 42.059 0.041 0.000 0.964 589 L HN 0.627 nan 8.230 nan 0.000 0.454 590 S N -2.365 113.337 115.700 0.003 0.000 2.656 590 S HA 0.512 4.981 4.470 -0.000 0.000 0.265 590 S C 0.077 174.653 174.600 -0.039 0.000 1.110 590 S CA -0.089 58.100 58.200 -0.019 0.000 0.821 590 S CB 0.826 64.017 63.200 -0.014 0.000 1.099 590 S HN -0.054 nan 8.310 nan 0.000 0.471 591 A N 0.809 123.581 122.820 -0.079 0.000 2.235 591 A HA 0.317 4.637 4.320 -0.000 0.000 0.208 591 A C 1.356 178.952 177.584 0.020 0.000 1.172 591 A CA 1.348 53.322 52.037 -0.105 0.000 0.786 591 A CB -0.703 18.122 19.000 -0.292 0.000 0.804 591 A HN 1.471 nan 8.150 nan 0.000 0.479 592 S N -2.354 113.328 115.700 -0.031 0.000 2.787 592 S HA 0.386 4.856 4.470 -0.000 0.000 0.255 592 S C -0.212 174.183 174.600 -0.342 0.000 1.051 592 S CA -0.085 58.022 58.200 -0.156 0.000 1.124 592 S CB 0.163 63.139 63.200 -0.374 0.000 1.104 592 S HN 0.065 nan 8.310 nan 0.000 0.623 593 V N 2.465 122.295 119.914 -0.139 0.000 2.487 593 V HA 0.529 4.648 4.120 -0.000 0.000 0.298 593 V C -0.937 175.156 176.094 -0.002 0.000 1.028 593 V CA -0.635 61.631 62.300 -0.056 0.000 0.860 593 V CB 1.496 33.330 31.823 0.019 0.000 0.991 593 V HN 0.442 nan 8.190 nan 0.000 0.427 594 N N 2.439 121.150 118.700 0.017 0.000 2.249 594 N HA 0.793 5.532 4.740 -0.000 0.000 0.296 594 N C -1.364 174.204 175.510 0.098 0.000 1.051 594 N CA -0.644 52.452 53.050 0.077 0.000 0.815 594 N CB 2.927 41.497 38.487 0.139 0.000 1.487 594 N HN 0.574 nan 8.380 nan 0.000 0.475 595 V N -0.658 119.327 119.914 0.118 0.000 2.686 595 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 595 V C -0.863 175.330 176.094 0.164 0.000 1.065 595 V CA -0.685 61.696 62.300 0.136 0.000 0.894 595 V CB 1.565 33.439 31.823 0.085 0.000 1.004 595 V HN 0.277 nan 8.190 nan 0.000 0.424 596 V N 3.514 123.561 119.914 0.221 0.000 2.588 596 V HA 1.002 5.122 4.120 -0.000 0.000 0.304 596 V C 0.591 176.830 176.094 0.241 0.000 1.042 596 V CA 0.486 62.897 62.300 0.186 0.000 0.877 596 V CB 1.617 33.499 31.823 0.098 0.000 0.996 596 V HN 1.462 nan 8.190 nan 0.000 0.425 597 G N 2.568 111.495 108.800 0.211 0.000 2.720 597 G HA2 0.769 4.728 3.960 -0.000 0.000 0.295 597 G HA3 0.769 4.728 3.960 -0.000 0.000 0.295 597 G C -1.046 173.974 174.900 0.200 0.000 1.437 597 G CA -0.016 45.222 45.100 0.230 0.000 0.886 597 G HN 1.155 nan 8.290 nan 0.000 0.509 598 S N -0.484 115.343 115.700 0.212 0.000 2.565 598 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 598 S C -1.920 172.823 174.600 0.239 0.000 1.144 598 S CA -0.848 57.468 58.200 0.194 0.000 0.849 598 S CB 1.828 65.119 63.200 0.150 0.000 1.103 598 S HN 1.731 nan 8.310 nan 0.000 0.455 599 Y N 0.991 121.355 120.300 0.107 0.000 2.462 599 Y HA 0.726 5.275 4.550 -0.000 0.000 0.346 599 Y C -1.073 174.908 175.900 0.135 0.000 0.976 599 Y CA -0.295 57.875 58.100 0.117 0.000 1.044 599 Y CB 2.466 40.985 38.460 0.098 0.000 1.230 599 Y HN 0.897 nan 8.280 nan 0.000 0.455 600 T N 6.410 120.507 114.554 -0.762 0.000 2.881 600 T HA 0.238 4.587 4.350 -0.000 0.000 0.291 600 T C -2.086 172.254 174.700 -0.601 0.000 0.990 600 T CA -0.415 61.387 62.100 -0.497 0.000 0.976 600 T CB 0.382 69.123 68.868 -0.212 0.000 0.970 600 T HN 0.481 nan 8.240 nan 0.000 0.438 601 Y N 2.911 122.943 120.300 -0.447 0.000 2.328 601 Y HA 0.557 5.107 4.550 -0.000 0.000 0.337 601 Y C -0.475 175.333 175.900 -0.153 0.000 0.966 601 Y CA -0.719 57.255 58.100 -0.210 0.000 1.136 601 Y CB 1.112 39.602 38.460 0.050 0.000 1.170 601 Y HN 0.564 nan 8.280 nan 0.000 0.470 602 T N 5.553 119.676 114.554 -0.717 0.000 2.847 602 T HA 0.169 4.519 4.350 -0.000 0.000 0.291 602 T C -1.423 172.887 174.700 -0.651 0.000 0.998 602 T CA -0.678 61.095 62.100 -0.546 0.000 0.967 602 T CB 0.721 69.405 68.868 -0.306 0.000 0.954 602 T HN 0.634 nan 8.240 nan 0.000 0.441 603 D N 2.666 122.737 120.400 -0.547 0.000 2.473 603 D HA 0.524 5.164 4.640 -0.000 0.000 0.226 603 D C -0.350 175.802 176.300 -0.248 0.000 1.089 603 D CA -0.385 53.384 54.000 -0.385 0.000 0.883 603 D CB 0.325 40.953 40.800 -0.288 0.000 1.029 603 D HN 0.647 nan 8.370 nan 0.000 0.517 604 A N 3.950 126.615 122.820 -0.258 0.000 2.271 604 A HA 0.597 4.916 4.320 -0.000 0.000 0.317 604 A C -0.394 177.041 177.584 -0.248 0.000 1.245 604 A CA -0.644 51.227 52.037 -0.276 0.000 0.857 604 A CB 0.933 19.699 19.000 -0.390 0.000 1.175 604 A HN 0.603 nan 8.150 nan 0.000 0.512 605 E N 2.041 122.119 120.200 -0.204 0.000 2.308 605 E HA 0.370 4.720 4.350 -0.000 0.000 0.275 605 E C -1.751 174.783 176.600 -0.110 0.000 0.890 605 E CA -0.610 55.703 56.400 -0.146 0.000 0.754 605 E CB 1.264 30.924 29.700 -0.066 0.000 1.207 605 E HN 0.606 nan 8.360 nan 0.000 0.426 606 Y N 2.759 123.035 120.300 -0.041 0.000 2.697 606 Y HA 0.018 4.568 4.550 -0.000 0.000 0.349 606 Y C 1.514 177.422 175.900 0.013 0.000 1.120 606 Y CA 0.641 58.743 58.100 0.004 0.000 1.468 606 Y CB 0.921 39.395 38.460 0.023 0.000 1.182 606 Y HN 0.559 nan 8.280 nan 0.000 0.525 607 T N 1.024 115.669 114.554 0.153 0.000 2.851 607 T HA -0.013 4.337 4.350 -0.000 0.000 0.262 607 T C 0.350 175.113 174.700 0.106 0.000 1.043 607 T CA 1.229 63.391 62.100 0.104 0.000 1.140 607 T CB 0.088 69.004 68.868 0.081 0.000 0.872 607 T HN 0.469 nan 8.240 nan 0.000 0.446 608 T N 2.315 116.947 114.554 0.131 0.000 2.937 608 T HA 0.498 4.848 4.350 -0.000 0.000 0.297 608 T C -1.582 173.186 174.700 0.113 0.000 0.991 608 T CA -0.808 61.349 62.100 0.095 0.000 0.990 608 T CB 1.918 70.830 68.868 0.073 0.000 0.991 608 T HN 0.081 nan 8.240 nan 0.000 0.440 609 D N 1.815 122.245 120.400 0.051 0.000 2.812 609 D HA 0.144 4.784 4.640 -0.000 0.000 0.210 609 D C 0.870 177.113 176.300 -0.095 0.000 1.260 609 D CA -0.333 53.661 54.000 -0.010 0.000 0.817 609 D CB 2.213 42.983 40.800 -0.049 0.000 1.694 609 D HN 0.341 nan 8.370 nan 0.000 0.530 610 T N 1.844 116.332 114.554 -0.109 0.000 2.544 610 T HA -0.153 4.197 4.350 -0.000 0.000 0.264 610 T C 1.641 176.203 174.700 -0.231 0.000 1.096 610 T CA 2.303 64.323 62.100 -0.134 0.000 1.181 610 T CB -0.162 68.638 68.868 -0.113 0.000 0.864 610 T HN 0.470 nan 8.240 nan 0.000 0.415 611 T N 0.511 114.812 114.554 -0.421 0.000 2.781 611 T HA 0.114 4.463 4.350 -0.000 0.000 0.252 611 T C 0.570 174.850 174.700 -0.701 0.000 1.039 611 T CA 0.809 62.513 62.100 -0.660 0.000 1.147 611 T CB -0.292 67.914 68.868 -1.103 0.000 0.865 611 T HN 0.303 nan 8.240 nan 0.000 0.423 612 Y N 1.134 121.255 120.300 -0.299 0.000 2.340 612 Y HA 0.681 5.231 4.550 -0.000 0.000 0.327 612 Y C 0.360 176.089 175.900 -0.286 0.000 1.321 612 Y CA -1.344 56.526 58.100 -0.383 0.000 1.433 612 Y CB 0.510 38.504 38.460 -0.776 0.000 1.373 612 Y HN 0.009 nan 8.280 nan 0.000 0.538 613 K N -0.987 119.407 120.400 -0.009 0.000 2.848 613 K HA 0.356 4.676 4.320 -0.000 0.000 0.308 613 K C 0.086 176.727 176.600 0.068 0.000 1.197 613 K CA 0.441 56.769 56.287 0.068 0.000 1.000 613 K CB 0.333 32.842 32.500 0.015 0.000 1.360 613 K HN 0.966 nan 8.250 nan 0.000 0.413 614 G N 1.998 110.854 108.800 0.093 0.000 2.377 614 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.250 614 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.250 614 G C -0.117 174.783 174.900 0.001 0.000 1.039 614 G CA 0.660 45.780 45.100 0.033 0.000 0.625 614 G HN 0.606 nan 8.290 nan 0.000 0.526 615 N N 1.358 120.081 118.700 0.037 0.000 2.453 615 N HA 0.497 5.237 4.740 -0.000 0.000 0.253 615 N C 0.509 176.021 175.510 0.002 0.000 1.252 615 N CA 0.998 54.016 53.050 -0.053 0.000 0.917 615 N CB 0.819 39.300 38.487 -0.011 0.000 1.117 615 N HN 0.599 nan 8.380 nan 0.000 0.442 616 T N -1.496 112.906 114.554 -0.253 0.000 2.824 616 T HA 0.492 4.841 4.350 -0.000 0.000 0.280 616 T C -2.717 171.868 174.700 -0.191 0.000 0.995 616 T CA -2.126 59.834 62.100 -0.233 0.000 1.009 616 T CB 1.619 70.354 68.868 -0.223 0.000 0.955 616 T HN 0.219 nan 8.240 nan 0.000 0.452 617 P HA 0.221 nan 4.420 nan 0.000 0.267 617 P C 0.232 177.449 177.300 -0.138 0.000 1.200 617 P CA -0.211 62.775 63.100 -0.190 0.000 0.772 617 P CB 0.229 31.706 31.700 -0.372 0.000 0.855 618 A N 2.838 125.592 122.820 -0.110 0.000 2.409 618 A HA -0.023 4.297 4.320 -0.000 0.000 0.246 618 A C 1.027 178.559 177.584 -0.085 0.000 1.099 618 A CA 0.240 52.219 52.037 -0.097 0.000 0.789 618 A CB -0.780 18.147 19.000 -0.122 0.000 1.053 618 A HN 0.693 nan 8.150 nan 0.000 0.503 619 Q N -3.045 116.708 119.800 -0.077 0.000 2.332 619 Q HA -0.196 4.144 4.340 -0.000 0.000 0.222 619 Q C -0.112 175.842 176.000 -0.076 0.000 0.758 619 Q CA 1.044 56.818 55.803 -0.048 0.000 1.355 619 Q CB -1.967 26.777 28.738 0.009 0.000 1.705 619 Q HN 1.005 nan 8.270 nan 0.000 0.638 620 V N 1.260 121.107 119.914 -0.112 0.000 2.350 620 V HA 0.473 4.593 4.120 -0.000 0.000 0.285 620 V C -2.090 173.910 176.094 -0.157 0.000 1.014 620 V CA -2.053 60.157 62.300 -0.150 0.000 0.831 620 V CB 1.524 33.220 31.823 -0.211 0.000 1.000 620 V HN 0.025 nan 8.190 nan 0.000 0.433 621 P HA 0.232 nan 4.420 nan 0.000 0.274 621 P C 0.015 177.174 177.300 -0.235 0.000 1.237 621 P CA -0.282 62.694 63.100 -0.208 0.000 0.793 621 P CB 1.653 33.208 31.700 -0.242 0.000 0.977 622 K N 0.282 120.524 120.400 -0.263 0.000 2.098 622 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 622 K C 0.599 176.916 176.600 -0.471 0.000 1.051 622 K CA 0.754 56.788 56.287 -0.422 0.000 0.957 622 K CB 0.111 32.340 32.500 -0.452 0.000 0.738 622 K HN 0.580 nan 8.250 nan 0.000 0.447 623 H N -0.416 118.634 119.070 -0.034 0.000 2.492 623 H HA 0.405 4.961 4.556 -0.000 0.000 0.345 623 H C -0.604 174.699 175.328 -0.041 0.000 1.136 623 H CA -0.276 55.809 56.048 0.061 0.000 1.202 623 H CB 1.550 31.506 29.762 0.324 0.000 1.524 623 H HN 0.057 nan 8.280 nan 0.000 0.506 624 M N 1.417 121.046 119.600 0.048 0.000 2.421 624 M HA 0.596 5.076 4.480 -0.000 0.000 0.287 624 M C -1.242 175.112 176.300 0.091 0.000 1.183 624 M CA -0.650 54.653 55.300 0.005 0.000 0.916 624 M CB 3.163 35.697 32.600 -0.110 0.000 1.701 624 M HN 0.716 nan 8.290 nan 0.000 0.470 625 A N 1.606 124.557 122.820 0.219 0.000 2.604 625 A HA 0.932 5.252 4.320 -0.000 0.000 0.295 625 A C -1.287 176.414 177.584 0.195 0.000 1.067 625 A CA -0.593 51.604 52.037 0.266 0.000 0.683 625 A CB 1.826 21.072 19.000 0.409 0.000 1.281 625 A HN 0.856 nan 8.150 nan 0.000 0.407 626 S N 0.027 115.837 115.700 0.183 0.000 2.537 626 S HA 0.804 5.274 4.470 -0.000 0.000 0.270 626 S C -1.453 173.328 174.600 0.303 0.000 1.142 626 S CA -0.625 57.678 58.200 0.172 0.000 0.870 626 S CB 1.445 64.632 63.200 -0.021 0.000 1.112 626 S HN 2.039 nan 8.310 nan 0.000 0.466 627 L N 1.463 122.919 121.223 0.389 0.000 2.482 627 L HA 0.922 5.262 4.340 -0.000 0.000 0.263 627 L C -2.098 175.089 176.870 0.528 0.000 0.957 627 L CA 0.033 55.098 54.840 0.375 0.000 0.836 627 L CB 1.988 44.179 42.059 0.221 0.000 1.324 627 L HN 1.008 nan 8.230 nan 0.000 0.406 628 W N 4.498 125.921 121.300 0.205 0.000 3.213 628 W HA 0.816 5.476 4.660 -0.000 0.000 0.318 628 W C -1.538 175.009 176.519 0.046 0.000 1.248 628 W CA 0.135 57.549 57.345 0.115 0.000 1.187 628 W CB 2.129 31.528 29.460 -0.102 0.000 1.403 628 W HN 0.867 nan 8.180 nan 0.000 0.556 629 A N 3.436 125.847 122.820 -0.682 0.000 2.608 629 A HA 0.674 4.994 4.320 -0.000 0.000 0.292 629 A C -1.908 175.007 177.584 -1.115 0.000 1.066 629 A CA -0.638 51.065 52.037 -0.557 0.000 0.676 629 A CB 1.704 20.556 19.000 -0.247 0.000 1.277 629 A HN 0.583 nan 8.150 nan 0.000 0.413 630 D N -0.237 119.818 120.400 -0.574 0.000 2.859 630 D HA 0.500 5.140 4.640 -0.000 0.000 0.223 630 D C -1.567 174.644 176.300 -0.149 0.000 1.218 630 D CA -0.163 53.587 54.000 -0.417 0.000 0.850 630 D CB 1.665 42.338 40.800 -0.211 0.000 1.656 630 D HN 0.455 nan 8.370 nan 0.000 0.484 631 Y N 0.238 120.378 120.300 -0.267 0.000 2.468 631 Y HA 0.540 5.089 4.550 -0.000 0.000 0.342 631 Y C -0.726 174.940 175.900 -0.390 0.000 1.021 631 Y CA -0.001 57.914 58.100 -0.309 0.000 1.079 631 Y CB 2.361 40.594 38.460 -0.378 0.000 1.226 631 Y HN 0.413 nan 8.280 nan 0.000 0.460 632 T N 5.328 119.315 114.554 -0.945 0.000 2.900 632 T HA 0.530 4.880 4.350 -0.000 0.000 0.295 632 T C -1.578 172.556 174.700 -0.944 0.000 1.044 632 T CA -0.497 61.162 62.100 -0.735 0.000 0.995 632 T CB 0.874 69.448 68.868 -0.490 0.000 1.072 632 T HN 0.312 nan 8.240 nan 0.000 0.473 633 F N 1.143 120.831 119.950 -0.436 0.000 2.492 633 F HA 0.645 5.171 4.527 -0.000 0.000 0.327 633 F C 0.127 175.579 175.800 -0.580 0.000 1.079 633 F CA -1.338 56.506 58.000 -0.261 0.000 0.967 633 F CB 1.294 40.288 39.000 -0.011 0.000 1.169 633 F HN 0.581 nan 8.300 nan 0.000 0.472 634 F N -1.172 118.921 119.950 0.238 0.000 2.974 634 F HA 0.207 4.734 4.527 -0.000 0.000 0.357 634 F C 0.544 176.421 175.800 0.128 0.000 1.114 634 F CA -0.596 57.482 58.000 0.129 0.000 1.099 634 F CB -0.234 38.803 39.000 0.061 0.000 1.205 634 F HN 0.281 nan 8.300 nan 0.000 0.535 635 D N 0.599 121.206 120.400 0.345 0.000 2.173 635 D HA 0.263 4.903 4.640 -0.000 0.000 0.296 635 D C 1.811 178.178 176.300 0.113 0.000 1.140 635 D CA 0.681 54.812 54.000 0.220 0.000 0.952 635 D CB -0.796 40.149 40.800 0.241 0.000 1.021 635 D HN 0.054 nan 8.370 nan 0.000 0.344 636 G N 0.471 109.297 108.800 0.044 0.000 2.196 636 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.448 636 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.448 636 G C -1.375 173.504 174.900 -0.034 0.000 1.369 636 G CA 0.210 45.299 45.100 -0.019 0.000 1.136 636 G HN 0.299 nan 8.290 nan 0.000 0.607 637 P HA -0.036 nan 4.420 nan 0.000 0.226 637 P C 1.216 178.479 177.300 -0.062 0.000 1.146 637 P CA 0.946 64.015 63.100 -0.051 0.000 0.773 637 P CB 0.032 31.691 31.700 -0.069 0.000 0.772 638 L N -0.603 120.526 121.223 -0.156 0.000 2.688 638 L HA 0.171 4.510 4.340 -0.000 0.000 0.234 638 L C 1.125 178.030 176.870 0.059 0.000 1.192 638 L CA -0.313 54.427 54.840 -0.167 0.000 0.984 638 L CB -0.404 41.276 42.059 -0.632 0.000 1.232 638 L HN -0.100 nan 8.230 nan 0.000 0.465 639 S N 0.580 116.338 115.700 0.096 0.000 2.544 639 S HA 0.281 4.751 4.470 -0.000 0.000 0.290 639 S C 1.316 175.990 174.600 0.125 0.000 1.276 639 S CA 0.878 59.152 58.200 0.123 0.000 1.075 639 S CB 0.357 63.620 63.200 0.106 0.000 0.849 639 S HN 0.722 nan 8.310 nan 0.000 0.494 640 G N 2.998 111.783 108.800 -0.025 0.000 2.175 640 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 640 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 640 G C -0.163 174.779 174.900 0.071 0.000 0.982 640 G CA 0.201 45.239 45.100 -0.104 0.000 0.641 640 G HN 0.919 nan 8.290 nan 0.000 0.527 641 L N 2.167 123.535 121.223 0.240 0.000 2.292 641 L HA 0.787 5.127 4.340 -0.000 0.000 0.284 641 L C -0.020 176.933 176.870 0.138 0.000 1.065 641 L CA 0.087 55.122 54.840 0.325 0.000 0.806 641 L CB 1.603 43.924 42.059 0.437 0.000 1.175 641 L HN 0.083 nan 8.230 nan 0.000 0.431 642 T N 6.582 121.180 114.554 0.074 0.000 2.840 642 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 642 T C -0.563 174.145 174.700 0.012 0.000 0.991 642 T CA -0.323 61.759 62.100 -0.029 0.000 0.964 642 T CB 0.800 69.647 68.868 -0.035 0.000 0.954 642 T HN 0.427 nan 8.240 nan 0.000 0.438 643 L N 2.903 124.117 121.223 -0.015 0.000 2.349 643 L HA 0.808 5.148 4.340 -0.000 0.000 0.278 643 L C 0.412 177.222 176.870 -0.101 0.000 0.996 643 L CA -0.762 54.071 54.840 -0.013 0.000 0.825 643 L CB 1.821 43.900 42.059 0.034 0.000 1.243 643 L HN 0.799 nan 8.230 nan 0.000 0.412 644 G N 0.531 109.256 108.800 -0.124 0.000 2.638 644 G HA2 0.620 4.580 3.960 -0.000 0.000 0.302 644 G HA3 0.620 4.580 3.960 -0.000 0.000 0.302 644 G C -1.367 173.343 174.900 -0.316 0.000 1.365 644 G CA -0.285 44.572 45.100 -0.406 0.000 0.987 644 G HN 0.383 nan 8.290 nan 0.000 0.495 645 T N -0.880 113.312 114.554 -0.603 0.000 2.841 645 T HA 0.899 5.248 4.350 -0.000 0.000 0.296 645 T C -0.100 174.355 174.700 -0.408 0.000 1.166 645 T CA 0.398 62.356 62.100 -0.238 0.000 1.007 645 T CB 1.778 70.587 68.868 -0.097 0.000 1.253 645 T HN 1.855 nan 8.240 nan 0.000 0.511 646 G N -0.586 108.319 108.800 0.176 0.000 2.441 646 G HA2 0.617 4.577 3.960 -0.000 0.000 0.294 646 G HA3 0.617 4.577 3.960 -0.000 0.000 0.294 646 G C -0.833 174.343 174.900 0.460 0.000 1.393 646 G CA -0.068 45.287 45.100 0.425 0.000 0.796 646 G HN 1.082 nan 8.290 nan 0.000 0.494 647 G N -0.784 108.275 108.800 0.431 0.000 2.696 647 G HA2 0.691 4.650 3.960 -0.000 0.000 0.295 647 G HA3 0.691 4.650 3.960 -0.000 0.000 0.295 647 G C -1.284 173.732 174.900 0.193 0.000 1.398 647 G CA -0.838 44.436 45.100 0.289 0.000 0.920 647 G HN 0.569 nan 8.290 nan 0.000 0.492 648 R N 0.207 120.765 120.500 0.097 0.000 2.480 648 R HA 0.376 4.716 4.340 -0.000 0.000 0.306 648 R C -1.749 174.612 176.300 0.103 0.000 0.958 648 R CA -0.838 55.260 56.100 -0.003 0.000 0.861 648 R CB 2.576 32.785 30.300 -0.151 0.000 1.171 648 R HN 0.540 nan 8.270 nan 0.000 0.445 649 Y N 1.521 121.804 120.300 -0.028 0.000 2.341 649 Y HA 0.339 4.888 4.550 -0.000 0.000 0.337 649 Y C -0.775 175.048 175.900 -0.129 0.000 1.014 649 Y CA -0.345 57.723 58.100 -0.053 0.000 1.111 649 Y CB 1.935 40.393 38.460 -0.004 0.000 1.194 649 Y HN 0.473 nan 8.280 nan 0.000 0.462 650 T N 5.819 119.750 114.554 -1.038 0.000 2.864 650 T HA 0.458 4.808 4.350 -0.000 0.000 0.299 650 T C 0.355 174.262 174.700 -1.322 0.000 1.011 650 T CA -0.491 60.986 62.100 -1.038 0.000 0.975 650 T CB 0.807 68.986 68.868 -1.148 0.000 0.962 650 T HN 0.970 nan 8.240 nan 0.000 0.448 651 G N 2.304 110.551 108.800 -0.921 0.000 2.631 651 G HA2 0.405 4.365 3.960 -0.000 0.000 0.271 651 G HA3 0.405 4.365 3.960 -0.000 0.000 0.271 651 G C 0.491 175.150 174.900 -0.401 0.000 1.302 651 G CA -0.591 44.189 45.100 -0.533 0.000 1.002 651 G HN 0.823 nan 8.290 nan 0.000 0.519 652 S N -1.323 114.244 115.700 -0.222 0.000 2.600 652 S HA 0.560 5.030 4.470 -0.000 0.000 0.265 652 S C 0.277 174.713 174.600 -0.274 0.000 1.325 652 S CA 0.312 58.375 58.200 -0.228 0.000 1.002 652 S CB 1.194 64.281 63.200 -0.188 0.000 0.921 652 S HN 1.683 nan 8.310 nan 0.000 0.554 653 S N 0.046 115.552 115.700 -0.322 0.000 2.596 653 S HA 0.585 5.054 4.470 -0.000 0.000 0.270 653 S C -1.592 172.706 174.600 -0.503 0.000 1.155 653 S CA -0.997 57.005 58.200 -0.331 0.000 0.827 653 S CB 0.209 63.290 63.200 -0.198 0.000 1.130 653 S HN 0.669 nan 8.310 nan 0.000 0.467 654 Y N 0.472 120.617 120.300 -0.258 0.000 2.299 654 Y HA 0.555 5.104 4.550 -0.000 0.000 0.326 654 Y C 1.605 177.214 175.900 -0.484 0.000 1.164 654 Y CA 0.325 58.209 58.100 -0.359 0.000 1.234 654 Y CB 1.203 39.496 38.460 -0.278 0.000 1.219 654 Y HN 0.994 nan 8.280 nan 0.000 0.497 655 G N 1.185 109.528 108.800 -0.762 0.000 3.284 655 G HA2 0.262 4.222 3.960 -0.000 0.000 0.236 655 G HA3 0.262 4.222 3.960 -0.000 0.000 0.236 655 G C -0.924 173.607 174.900 -0.615 0.000 1.158 655 G CA 0.134 44.667 45.100 -0.946 0.000 0.774 655 G HN 0.710 nan 8.290 nan 0.000 0.545 656 D N -3.145 117.022 120.400 -0.389 0.000 2.798 656 D HA 0.141 4.781 4.640 -0.000 0.000 0.265 656 D C -2.708 173.443 176.300 -0.249 0.000 1.223 656 D CA -1.290 52.556 54.000 -0.257 0.000 0.743 656 D CB 0.733 41.459 40.800 -0.123 0.000 1.276 656 D HN -0.149 nan 8.370 nan 0.000 0.421 657 P HA -0.007 nan 4.420 nan 0.000 0.216 657 P C 1.199 178.146 177.300 -0.588 0.000 1.150 657 P CA 2.476 65.148 63.100 -0.714 0.000 0.837 657 P CB 0.030 31.009 31.700 -1.201 0.000 0.786 658 A N -0.883 121.829 122.820 -0.179 0.000 2.239 658 A HA -0.106 4.213 4.320 -0.000 0.000 0.209 658 A C 0.844 178.425 177.584 -0.006 0.000 1.171 658 A CA 0.712 52.794 52.037 0.075 0.000 0.768 658 A CB -1.643 17.435 19.000 0.130 0.000 0.790 658 A HN 0.264 nan 8.150 nan 0.000 0.478 659 N N -1.114 117.532 118.700 -0.089 0.000 2.693 659 N HA -0.252 4.488 4.740 -0.000 0.000 0.249 659 N C 1.152 176.726 175.510 0.108 0.000 1.119 659 N CA 0.420 53.442 53.050 -0.047 0.000 0.717 659 N CB -1.104 37.175 38.487 -0.347 0.000 1.071 659 N HN 0.560 nan 8.380 nan 0.000 0.555 660 S N 0.002 115.773 115.700 0.118 0.000 2.377 660 S HA -0.164 4.305 4.470 -0.000 0.000 0.224 660 S C 0.628 175.395 174.600 0.279 0.000 1.042 660 S CA 1.830 60.150 58.200 0.200 0.000 1.086 660 S CB 0.026 63.379 63.200 0.254 0.000 0.995 660 S HN 0.457 nan 8.310 nan 0.000 0.428 661 F N -0.338 119.612 119.950 0.001 0.000 2.712 661 F HA 0.881 5.407 4.527 -0.000 0.000 0.367 661 F C -0.525 175.244 175.800 -0.051 0.000 1.132 661 F CA -1.717 56.266 58.000 -0.029 0.000 1.066 661 F CB 0.886 39.840 39.000 -0.077 0.000 1.416 661 F HN -0.139 nan 8.300 nan 0.000 0.515 662 K N 0.675 120.947 120.400 -0.212 0.000 2.464 662 K HA 0.629 4.949 4.320 -0.000 0.000 0.253 662 K C -1.819 174.622 176.600 -0.265 0.000 0.933 662 K CA -1.065 54.961 56.287 -0.435 0.000 0.801 662 K CB 2.950 35.189 32.500 -0.434 0.000 1.271 662 K HN 0.495 nan 8.250 nan 0.000 0.430 663 V N 1.811 121.539 119.914 -0.310 0.000 2.465 663 V HA 0.290 4.410 4.120 -0.000 0.000 0.279 663 V C 0.782 176.826 176.094 -0.084 0.000 1.045 663 V CA -0.585 61.639 62.300 -0.126 0.000 0.938 663 V CB 1.298 33.060 31.823 -0.101 0.000 0.986 663 V HN 0.923 nan 8.190 nan 0.000 0.467 664 G N 3.384 112.193 108.800 0.015 0.000 2.544 664 G HA2 0.372 4.331 3.960 -0.000 0.000 0.242 664 G HA3 0.372 4.331 3.960 -0.000 0.000 0.242 664 G C 0.441 175.368 174.900 0.045 0.000 1.247 664 G CA 0.150 45.268 45.100 0.030 0.000 0.840 664 G HN 0.957 nan 8.290 nan 0.000 0.578 665 S N -0.189 115.485 115.700 -0.043 0.000 2.596 665 S HA 0.615 5.085 4.470 -0.000 0.000 0.260 665 S C -0.424 174.146 174.600 -0.050 0.000 1.336 665 S CA 0.095 58.166 58.200 -0.215 0.000 0.993 665 S CB 0.600 63.709 63.200 -0.151 0.000 0.923 665 S HN 1.280 nan 8.310 nan 0.000 0.567 666 Y N -3.217 116.994 120.300 -0.148 0.000 2.624 666 Y HA 0.700 5.250 4.550 -0.000 0.000 0.334 666 Y C -1.101 174.721 175.900 -0.131 0.000 1.155 666 Y CA -1.184 56.835 58.100 -0.135 0.000 1.046 666 Y CB 0.860 39.163 38.460 -0.261 0.000 1.316 666 Y HN 0.625 nan 8.280 nan 0.000 0.457 667 T N 2.129 116.776 114.554 0.154 0.000 2.949 667 T HA 0.578 4.928 4.350 -0.000 0.000 0.300 667 T C -1.295 173.465 174.700 0.101 0.000 0.988 667 T CA -0.618 61.583 62.100 0.167 0.000 0.993 667 T CB 1.247 70.243 68.868 0.213 0.000 0.984 667 T HN 0.633 nan 8.240 nan 0.000 0.442 668 V N 3.503 123.470 119.914 0.089 0.000 2.547 668 V HA 0.631 4.751 4.120 -0.000 0.000 0.299 668 V C -0.114 176.089 176.094 0.183 0.000 1.040 668 V CA -0.711 61.644 62.300 0.093 0.000 0.913 668 V CB 2.080 33.907 31.823 0.006 0.000 0.992 668 V HN 0.667 nan 8.190 nan 0.000 0.449 669 V N 3.225 123.279 119.914 0.234 0.000 2.581 669 V HA 0.539 4.659 4.120 -0.000 0.000 0.303 669 V C -0.729 175.481 176.094 0.193 0.000 1.041 669 V CA -0.588 61.859 62.300 0.245 0.000 0.907 669 V CB 2.080 34.088 31.823 0.307 0.000 0.994 669 V HN 0.888 nan 8.190 nan 0.000 0.442 670 D N 2.638 123.209 120.400 0.284 0.000 2.342 670 D HA 0.792 5.432 4.640 -0.000 0.000 0.243 670 D C -0.332 176.149 176.300 0.302 0.000 1.019 670 D CA -0.084 54.103 54.000 0.311 0.000 0.864 670 D CB 2.470 43.558 40.800 0.480 0.000 1.315 670 D HN 0.720 nan 8.370 nan 0.000 0.468 671 A N 0.996 123.943 122.820 0.211 0.000 2.479 671 A HA 0.797 5.117 4.320 -0.000 0.000 0.296 671 A C -1.648 176.023 177.584 0.145 0.000 1.121 671 A CA -0.638 51.487 52.037 0.146 0.000 0.743 671 A CB 1.719 20.736 19.000 0.029 0.000 1.323 671 A HN 0.397 nan 8.150 nan 0.000 0.415 672 L N 0.818 122.097 121.223 0.094 0.000 2.543 672 L HA 0.671 5.011 4.340 -0.000 0.000 0.265 672 L C -1.398 175.457 176.870 -0.025 0.000 0.945 672 L CA -0.382 54.473 54.840 0.025 0.000 0.869 672 L CB 2.111 44.267 42.059 0.161 0.000 1.294 672 L HN 1.143 nan 8.230 nan 0.000 0.405 673 V N 2.406 122.264 119.914 -0.093 0.000 2.409 673 V HA 0.736 4.856 4.120 -0.000 0.000 0.290 673 V C -0.482 175.576 176.094 -0.060 0.000 1.017 673 V CA -0.573 61.698 62.300 -0.048 0.000 0.841 673 V CB 1.330 33.128 31.823 -0.041 0.000 1.003 673 V HN 0.932 nan 8.190 nan 0.000 0.426 674 R N 3.693 124.193 120.500 0.001 0.000 2.494 674 R HA 0.629 4.968 4.340 -0.000 0.000 0.305 674 R C -2.049 174.334 176.300 0.139 0.000 0.959 674 R CA -0.757 55.361 56.100 0.030 0.000 0.864 674 R CB 1.909 32.219 30.300 0.016 0.000 1.159 674 R HN 0.850 nan 8.270 nan 0.000 0.446 675 Y N 3.451 123.740 120.300 -0.019 0.000 2.338 675 Y HA 0.219 4.768 4.550 -0.000 0.000 0.333 675 Y C -0.783 175.119 175.900 0.003 0.000 0.968 675 Y CA -1.397 56.701 58.100 -0.004 0.000 1.123 675 Y CB 1.313 39.777 38.460 0.006 0.000 1.165 675 Y HN 0.605 nan 8.280 nan 0.000 0.452 676 D N 4.780 124.925 120.400 -0.424 0.000 2.425 676 D HA 0.011 4.651 4.640 -0.000 0.000 0.247 676 D C 0.241 176.190 176.300 -0.586 0.000 1.147 676 D CA 0.288 54.053 54.000 -0.391 0.000 0.879 676 D CB 1.221 41.850 40.800 -0.286 0.000 1.179 676 D HN 0.684 nan 8.370 nan 0.000 0.456 677 L N 4.203 125.267 121.223 -0.265 0.000 2.627 677 L HA 0.126 4.466 4.340 -0.000 0.000 0.232 677 L C 2.165 178.967 176.870 -0.113 0.000 1.150 677 L CA 0.219 54.961 54.840 -0.164 0.000 0.917 677 L CB -0.667 41.407 42.059 0.025 0.000 1.104 677 L HN 0.553 nan 8.230 nan 0.000 0.445 678 A N -0.108 122.629 122.820 -0.137 0.000 1.917 678 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 678 A C 2.192 179.744 177.584 -0.053 0.000 1.182 678 A CA 1.352 53.345 52.037 -0.073 0.000 0.633 678 A CB -0.426 18.538 19.000 -0.061 0.000 0.819 678 A HN 0.405 nan 8.150 nan 0.000 0.448 679 R N -0.833 119.622 120.500 -0.075 0.000 2.389 679 R HA 0.096 4.436 4.340 -0.000 0.000 0.210 679 R C -0.199 176.110 176.300 0.015 0.000 1.157 679 R CA 0.545 56.638 56.100 -0.011 0.000 1.169 679 R CB -0.138 30.180 30.300 0.029 0.000 1.004 679 R HN 0.363 nan 8.270 nan 0.000 0.482 680 V N -1.499 118.414 119.914 -0.001 0.000 3.355 680 V HA 0.224 4.344 4.120 -0.000 0.000 0.330 680 V C 0.937 177.025 176.094 -0.010 0.000 1.479 680 V CA 0.288 62.595 62.300 0.011 0.000 1.150 680 V CB 1.115 32.956 31.823 0.030 0.000 1.044 680 V HN 0.455 nan 8.190 nan 0.000 0.501 681 G N 1.470 110.261 108.800 -0.015 0.000 2.162 681 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 681 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 681 G C 0.259 175.136 174.900 -0.038 0.000 0.976 681 G CA 0.620 45.706 45.100 -0.023 0.000 0.655 681 G HN 0.485 nan 8.290 nan 0.000 0.533 682 M N 1.232 120.810 119.600 -0.036 0.000 3.231 682 M HA 0.553 5.033 4.480 -0.000 0.000 0.231 682 M C 0.878 177.169 176.300 -0.016 0.000 1.136 682 M CA 0.016 55.292 55.300 -0.040 0.000 0.990 682 M CB 0.939 33.524 32.600 -0.025 0.000 1.291 682 M HN 0.420 nan 8.290 nan 0.000 0.565 683 A N 0.118 122.927 122.820 -0.018 0.000 2.466 683 A HA 0.554 4.874 4.320 -0.000 0.000 0.238 683 A C 1.360 178.950 177.584 0.011 0.000 1.074 683 A CA 1.078 53.109 52.037 -0.009 0.000 0.774 683 A CB -0.113 18.887 19.000 0.000 0.000 1.015 683 A HN 1.012 nan 8.150 nan 0.000 0.498 684 G N 0.557 109.367 108.800 0.017 0.000 2.454 684 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.225 684 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.225 684 G C 0.842 175.774 174.900 0.053 0.000 1.138 684 G CA 0.588 45.713 45.100 0.041 0.000 0.667 684 G HN 1.304 nan 8.290 nan 0.000 0.512 685 S N 1.805 117.547 115.700 0.069 0.000 2.641 685 S HA 0.617 5.087 4.470 -0.000 0.000 0.261 685 S C 0.197 174.820 174.600 0.038 0.000 1.257 685 S CA 0.402 58.665 58.200 0.106 0.000 0.983 685 S CB 1.185 64.544 63.200 0.265 0.000 0.990 685 S HN 1.458 nan 8.310 nan 0.000 0.572 686 N N -1.638 117.064 118.700 0.003 0.000 3.521 686 N HA 0.174 4.914 4.740 -0.000 0.000 0.228 686 N C -2.268 173.218 175.510 -0.041 0.000 1.328 686 N CA -0.528 52.510 53.050 -0.019 0.000 0.907 686 N CB 0.615 39.089 38.487 -0.022 0.000 1.487 686 N HN 0.352 nan 8.380 nan 0.000 0.503 687 V N -0.165 119.765 119.914 0.027 0.000 2.604 687 V HA 0.944 5.064 4.120 -0.000 0.000 0.305 687 V C -0.160 175.965 176.094 0.050 0.000 1.043 687 V CA -0.352 61.971 62.300 0.038 0.000 0.888 687 V CB 1.059 32.941 31.823 0.099 0.000 0.995 687 V HN 1.106 nan 8.190 nan 0.000 0.429 688 A N 3.994 126.825 122.820 0.018 0.000 2.539 688 A HA 0.928 5.247 4.320 -0.000 0.000 0.296 688 A C -1.850 175.646 177.584 -0.147 0.000 1.073 688 A CA -0.570 51.419 52.037 -0.080 0.000 0.700 688 A CB 1.837 20.757 19.000 -0.134 0.000 1.296 688 A HN 0.777 nan 8.150 nan 0.000 0.405 689 L N 2.048 123.110 121.223 -0.268 0.000 2.356 689 L HA 0.599 4.939 4.340 -0.000 0.000 0.277 689 L C -0.948 175.713 176.870 -0.348 0.000 0.996 689 L CA -0.035 54.694 54.840 -0.186 0.000 0.822 689 L CB 1.275 43.287 42.059 -0.079 0.000 1.256 689 L HN 0.766 nan 8.230 nan 0.000 0.413 690 H N 4.310 123.389 119.070 0.016 0.000 2.524 690 H HA 0.694 5.249 4.556 -0.000 0.000 0.353 690 H C -1.206 174.135 175.328 0.021 0.000 1.136 690 H CA -0.814 55.246 56.048 0.020 0.000 1.193 690 H CB 2.295 32.066 29.762 0.015 0.000 1.558 690 H HN 0.334 nan 8.280 nan 0.000 0.515 691 V N 3.230 123.228 119.914 0.140 0.000 2.623 691 V HA 0.163 4.283 4.120 -0.000 0.000 0.304 691 V C -0.515 175.643 176.094 0.107 0.000 1.054 691 V CA -0.904 61.446 62.300 0.085 0.000 0.882 691 V CB 1.843 33.679 31.823 0.022 0.000 1.002 691 V HN 0.707 nan 8.190 nan 0.000 0.424 692 N N 3.252 122.010 118.700 0.097 0.000 2.372 692 N HA 0.487 5.226 4.740 -0.000 0.000 0.291 692 N C 0.072 175.637 175.510 0.092 0.000 1.024 692 N CA -0.465 52.655 53.050 0.117 0.000 0.873 692 N CB 0.948 39.504 38.487 0.115 0.000 1.206 692 N HN 0.768 nan 8.380 nan 0.000 0.486 693 N N 1.344 120.109 118.700 0.108 0.000 2.746 693 N HA -0.171 4.568 4.740 -0.000 0.000 0.250 693 N C 0.352 175.891 175.510 0.048 0.000 1.055 693 N CA 0.057 53.173 53.050 0.110 0.000 0.699 693 N CB -0.938 37.639 38.487 0.149 0.000 0.919 693 N HN 0.602 nan 8.380 nan 0.000 0.548 694 L N 0.312 121.506 121.223 -0.050 0.000 2.010 694 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 694 L C 1.224 177.926 176.870 -0.279 0.000 1.077 694 L CA 2.153 56.846 54.840 -0.245 0.000 0.773 694 L CB -0.648 41.113 42.059 -0.496 0.000 0.892 694 L HN 0.405 nan 8.230 nan 0.000 0.436 695 F N 0.719 120.706 119.950 0.061 0.000 2.811 695 F HA 0.117 4.644 4.527 -0.000 0.000 0.292 695 F C 0.952 176.785 175.800 0.056 0.000 1.240 695 F CA -0.365 57.666 58.000 0.053 0.000 1.422 695 F CB -1.663 37.367 39.000 0.050 0.000 1.045 695 F HN 0.128 nan 8.300 nan 0.000 0.512 696 D N 2.172 122.657 120.400 0.140 0.000 3.053 696 D HA -0.287 4.353 4.640 -0.000 0.000 0.201 696 D C 0.787 177.174 176.300 0.144 0.000 1.266 696 D CA 0.442 54.511 54.000 0.115 0.000 0.637 696 D CB -0.296 40.549 40.800 0.075 0.000 0.939 696 D HN 0.415 nan 8.370 nan 0.000 0.393 697 R N 0.971 121.584 120.500 0.189 0.000 2.594 697 R HA 0.185 4.525 4.340 -0.000 0.000 0.272 697 R C 0.029 176.476 176.300 0.245 0.000 1.074 697 R CA -0.139 56.076 56.100 0.193 0.000 1.105 697 R CB 0.652 31.044 30.300 0.153 0.000 1.008 697 R HN 0.158 nan 8.270 nan 0.000 0.472 698 E N 3.761 124.076 120.200 0.192 0.000 2.109 698 E HA 0.187 4.537 4.350 -0.000 0.000 0.278 698 E C -1.485 175.319 176.600 0.339 0.000 0.954 698 E CA -0.509 55.965 56.400 0.123 0.000 0.779 698 E CB 1.016 30.676 29.700 -0.068 0.000 1.093 698 E HN 0.442 nan 8.360 nan 0.000 0.401 699 Y N -0.901 119.484 120.300 0.141 0.000 2.615 699 Y HA 0.592 5.142 4.550 -0.000 0.000 0.341 699 Y C -1.052 175.039 175.900 0.319 0.000 1.089 699 Y CA -1.555 56.657 58.100 0.187 0.000 1.049 699 Y CB 0.473 38.875 38.460 -0.098 0.000 1.296 699 Y HN 0.048 nan 8.280 nan 0.000 0.470 700 V N 2.737 122.784 119.914 0.221 0.000 2.350 700 V HA 0.517 4.636 4.120 -0.000 0.000 0.276 700 V C 1.006 177.128 176.094 0.047 0.000 1.028 700 V CA 0.135 62.429 62.300 -0.010 0.000 0.860 700 V CB 0.462 32.207 31.823 -0.130 0.000 0.990 700 V HN 1.156 nan 8.190 nan 0.000 0.453 701 A N 4.756 127.547 122.820 -0.049 0.000 1.877 701 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 701 A C 1.041 178.767 177.584 0.237 0.000 1.186 701 A CA 1.671 53.766 52.037 0.097 0.000 0.620 701 A CB -0.110 18.930 19.000 0.067 0.000 0.822 701 A HN 1.293 nan 8.150 nan 0.000 0.443 702 S N -4.674 111.119 115.700 0.155 0.000 2.688 702 S HA 0.454 4.924 4.470 -0.000 0.000 0.266 702 S C -1.199 173.413 174.600 0.020 0.000 1.061 702 S CA -0.515 57.741 58.200 0.094 0.000 0.844 702 S CB 0.368 63.643 63.200 0.125 0.000 1.103 702 S HN 0.757 nan 8.310 nan 0.000 0.471 703 c N 1.808 120.352 118.600 -0.093 0.000 2.609 703 c HA 0.678 5.247 4.570 -0.000 0.000 0.313 703 c C 0.832 174.788 174.090 -0.222 0.000 1.175 703 c CA -0.840 55.337 56.329 -0.255 0.000 1.434 703 c CB 0.362 42.742 42.510 -0.218 0.000 2.005 703 c HN 0.974 nan 8.230 nan 0.000 0.471 704 F N 0.741 120.511 119.950 -0.299 0.000 2.749 704 F HA 0.431 4.958 4.527 -0.000 0.000 0.300 704 F C 0.470 176.028 175.800 -0.403 0.000 1.103 704 F CA 0.169 57.997 58.000 -0.287 0.000 1.342 704 F CB -0.124 38.729 39.000 -0.245 0.000 1.098 704 F HN 0.554 nan 8.300 nan 0.000 0.586 705 N N -0.503 117.494 118.700 -1.171 0.000 3.533 705 N HA -0.002 4.738 4.740 -0.000 0.000 0.229 705 N C 0.754 175.730 175.510 -0.889 0.000 1.418 705 N CA 0.583 52.990 53.050 -1.071 0.000 0.880 705 N CB 1.158 38.673 38.487 -1.620 0.000 1.415 705 N HN -0.012 nan 8.380 nan 0.000 0.491 706 T N -1.194 113.013 114.554 -0.578 0.000 2.869 706 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 706 T C 1.384 175.773 174.700 -0.519 0.000 1.082 706 T CA 1.827 63.624 62.100 -0.505 0.000 1.123 706 T CB -0.598 68.050 68.868 -0.367 0.000 0.856 706 T HN 0.598 nan 8.240 nan 0.000 0.499 707 Y N -0.556 119.436 120.300 -0.513 0.000 2.531 707 Y HA 0.708 5.257 4.550 -0.000 0.000 0.249 707 Y C 1.004 176.552 175.900 -0.586 0.000 1.168 707 Y CA -1.507 56.330 58.100 -0.438 0.000 1.226 707 Y CB -0.056 38.184 38.460 -0.367 0.000 1.177 707 Y HN 0.178 nan 8.280 nan 0.000 0.527 708 G N 0.974 109.070 108.800 -1.174 0.000 4.160 708 G HA2 0.476 4.436 3.960 -0.000 0.000 0.341 708 G HA3 0.476 4.436 3.960 -0.000 0.000 0.341 708 G C -1.218 172.938 174.900 -1.241 0.000 1.510 708 G CA -0.306 43.951 45.100 -1.406 0.000 1.011 708 G HN 0.258 nan 8.290 nan 0.000 0.491 709 c N 0.574 118.568 118.600 -1.009 0.000 2.470 709 c HA 0.828 5.397 4.570 -0.000 0.000 0.341 709 c C -0.861 172.571 174.090 -1.096 0.000 1.190 709 c CA -0.694 55.106 56.329 -0.882 0.000 1.904 709 c CB 0.894 43.092 42.510 -0.521 0.000 2.354 709 c HN 0.570 nan 8.230 nan 0.000 0.509 710 F N 0.077 119.957 119.950 -0.116 0.000 2.536 710 F HA 0.334 4.860 4.527 -0.000 0.000 0.322 710 F C -0.211 175.540 175.800 -0.082 0.000 1.144 710 F CA -0.720 57.263 58.000 -0.029 0.000 0.924 710 F CB 0.513 39.540 39.000 0.045 0.000 1.181 710 F HN 0.649 nan 8.300 nan 0.000 0.438 711 W N 2.269 123.623 121.300 0.089 0.000 2.193 711 W HA 0.401 5.061 4.660 -0.000 0.000 0.338 711 W C 1.126 177.501 176.519 -0.240 0.000 1.310 711 W CA -0.162 57.123 57.345 -0.099 0.000 1.243 711 W CB 0.663 30.069 29.460 -0.090 0.000 1.165 711 W HN 0.724 nan 8.180 nan 0.000 0.566 712 G N 1.227 109.851 108.800 -0.293 0.000 2.611 712 G HA2 0.444 4.404 3.960 -0.000 0.000 0.273 712 G HA3 0.444 4.404 3.960 -0.000 0.000 0.273 712 G C -0.888 173.755 174.900 -0.428 0.000 1.305 712 G CA -0.608 43.971 45.100 -0.868 0.000 1.010 712 G HN 0.716 nan 8.290 nan 0.000 0.509 713 A N -0.150 122.505 122.820 -0.275 0.000 2.320 713 A HA 0.522 4.841 4.320 -0.000 0.000 0.287 713 A C 0.581 178.159 177.584 -0.010 0.000 1.181 713 A CA -0.477 51.518 52.037 -0.070 0.000 0.831 713 A CB 0.069 19.075 19.000 0.010 0.000 1.102 713 A HN 0.746 nan 8.150 nan 0.000 0.513 714 E N 2.624 122.799 120.200 -0.043 0.000 2.404 714 E HA 0.177 4.527 4.350 -0.000 0.000 0.261 714 E C 0.220 176.833 176.600 0.021 0.000 1.074 714 E CA -0.767 55.620 56.400 -0.022 0.000 0.917 714 E CB 0.662 30.316 29.700 -0.076 0.000 0.965 714 E HN 0.642 nan 8.360 nan 0.000 0.433 715 R N 1.859 122.383 120.500 0.041 0.000 2.481 715 R HA -0.179 4.160 4.340 -0.000 0.000 0.291 715 R C -0.452 175.857 176.300 0.016 0.000 0.934 715 R CA 0.633 56.756 56.100 0.039 0.000 1.116 715 R CB 0.380 30.698 30.300 0.029 0.000 0.895 715 R HN 0.710 nan 8.270 nan 0.000 0.410 716 Q N 3.242 123.056 119.800 0.023 0.000 2.345 716 Q HA 0.492 4.832 4.340 -0.000 0.000 0.268 716 Q C -1.678 174.334 176.000 0.019 0.000 1.054 716 Q CA -1.007 54.801 55.803 0.009 0.000 0.835 716 Q CB 2.209 30.950 28.738 0.005 0.000 1.339 716 Q HN 0.486 nan 8.270 nan 0.000 0.447 717 V N 3.495 123.413 119.914 0.007 0.000 2.531 717 V HA 0.513 4.633 4.120 -0.000 0.000 0.301 717 V C -0.971 175.136 176.094 0.021 0.000 1.034 717 V CA -0.598 61.715 62.300 0.021 0.000 0.865 717 V CB 1.979 33.806 31.823 0.006 0.000 0.995 717 V HN 0.633 nan 8.190 nan 0.000 0.424 718 V N 3.749 123.703 119.914 0.066 0.000 2.656 718 V HA 0.840 4.960 4.120 -0.000 0.000 0.307 718 V C 0.077 176.250 176.094 0.132 0.000 1.051 718 V CA -0.606 61.739 62.300 0.075 0.000 0.893 718 V CB 2.043 33.902 31.823 0.059 0.000 0.999 718 V HN 0.961 nan 8.190 nan 0.000 0.426 719 A N 3.044 125.923 122.820 0.098 0.000 2.303 719 A HA 0.854 5.174 4.320 -0.000 0.000 0.320 719 A C -0.114 177.544 177.584 0.124 0.000 1.192 719 A CA -0.412 51.687 52.037 0.103 0.000 0.821 719 A CB 0.996 20.043 19.000 0.078 0.000 1.188 719 A HN 0.749 nan 8.150 nan 0.000 0.492 720 T N 1.638 116.272 114.554 0.134 0.000 2.848 720 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 720 T C -0.364 174.358 174.700 0.037 0.000 0.995 720 T CA -0.055 62.107 62.100 0.103 0.000 0.970 720 T CB 1.682 70.622 68.868 0.120 0.000 0.976 720 T HN 1.145 nan 8.240 nan 0.000 0.441 721 A N 2.355 125.172 122.820 -0.005 0.000 2.293 721 A HA 0.667 4.986 4.320 -0.000 0.000 0.312 721 A C 0.219 177.531 177.584 -0.453 0.000 1.309 721 A CA -0.709 51.188 52.037 -0.235 0.000 0.839 721 A CB 0.586 19.532 19.000 -0.091 0.000 1.155 721 A HN 0.713 nan 8.150 nan 0.000 0.501 722 T N 2.891 117.165 114.554 -0.468 0.000 2.821 722 T HA 0.649 4.999 4.350 -0.000 0.000 0.307 722 T C -1.047 173.475 174.700 -0.298 0.000 1.034 722 T CA -0.290 61.626 62.100 -0.306 0.000 0.953 722 T CB -0.589 68.228 68.868 -0.084 0.000 0.968 722 T HN 0.258 nan 8.240 nan 0.000 0.462 723 F N 3.733 123.805 119.950 0.204 0.000 2.422 723 F HA 0.664 5.191 4.527 -0.000 0.000 0.333 723 F C 0.892 176.891 175.800 0.332 0.000 1.095 723 F CA -1.248 56.895 58.000 0.238 0.000 1.038 723 F CB 1.185 40.394 39.000 0.348 0.000 1.156 723 F HN 0.201 nan 8.300 nan 0.000 0.483 724 R N 3.001 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