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 2fcp_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 LLNLYNPSHH HHHHGSVNTD DATA SEQUENCE FDFNAKDPAN SGPYRILNKQ KQTGVYVQDQ AQWDKVLVTL GGRYDWADQE DATA SEQUENCE SLNRVAGTTD KRDDKQFTWR GGVNYLFDNG VTPYFSYSES FEPSSQVGKD DATA SEQUENCE GNIFAPSKGK QYEVGVKYVP EDRPIVVTGA VYNLTKTNNL MADPEGSFFS DATA SEQUENCE VEGGEIRARG VEIEAKAALS ASVNVVGSYT YTDAEYTTDT TYKGNTPAQV DATA SEQUENCE PKHMASLWAD YTFFDGPLSG LTLGTGGRYT GSSYGDPANS FKVGSYTVVD DATA SEQUENCE ALVRYDLARV GMAGSNVALH VNNLFDREYV AScFNTYGcF WGAERQVVAT DATA SEQUENCE ATFRF 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 0.000 176.524 176.600 -0.127 0.000 1.382 19 E CA 0.000 56.263 56.400 -0.228 0.000 0.976 19 E CB 0.000 29.420 29.700 -0.467 0.000 0.812 20 S N -0.811 114.717 115.700 -0.285 0.000 2.902 20 S HA 0.408 4.877 4.470 -0.000 0.000 0.291 20 S C 1.135 175.306 174.600 -0.716 0.000 0.641 20 S CA -0.321 57.524 58.200 -0.592 0.000 0.669 20 S CB -0.294 62.346 63.200 -0.934 0.000 0.881 20 S HN 0.768 nan 8.310 nan 0.000 0.599 21 A N 3.046 125.622 122.820 -0.406 0.000 1.916 21 A HA -0.198 4.122 4.320 -0.000 0.000 0.224 21 A C 1.598 179.142 177.584 -0.066 0.000 1.366 21 A CA 2.587 54.554 52.037 -0.116 0.000 0.692 21 A CB -1.679 17.402 19.000 0.134 0.000 0.841 21 A HN 2.122 nan 8.150 nan 0.000 0.480 22 W N 0.140 121.463 121.300 0.038 0.000 3.096 22 W HA 0.449 5.108 4.660 -0.000 0.000 0.241 22 W C 0.978 177.531 176.519 0.057 0.000 1.316 22 W CA -0.451 56.919 57.345 0.041 0.000 1.520 22 W CB -1.011 28.475 29.460 0.043 0.000 1.128 22 W HN 0.334 nan 8.180 nan 0.000 0.707 23 G N 1.832 110.408 108.800 -0.374 0.000 2.679 23 G HA2 0.116 4.076 3.960 -0.000 0.000 0.202 23 G HA3 0.116 4.076 3.960 -0.000 0.000 0.202 23 G C -1.375 173.477 174.900 -0.081 0.000 1.566 23 G CA -0.290 44.668 45.100 -0.237 0.000 1.074 23 G HN -0.103 nan 8.290 nan 0.000 0.564 24 P HA -0.095 nan 4.420 nan 0.000 0.218 24 P C 1.991 179.264 177.300 -0.045 0.000 1.146 24 P CA 2.049 65.117 63.100 -0.052 0.000 0.813 24 P CB -0.019 31.641 31.700 -0.068 0.000 0.778 25 A N -0.207 122.577 122.820 -0.060 0.000 1.940 25 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 25 A C 2.266 179.841 177.584 -0.015 0.000 1.176 25 A CA 2.140 54.152 52.037 -0.042 0.000 0.631 25 A CB -1.467 17.502 19.000 -0.051 0.000 0.814 25 A HN 0.231 nan 8.150 nan 0.000 0.446 26 A N -1.276 121.548 122.820 0.006 0.000 1.874 26 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 26 A C 2.285 179.883 177.584 0.023 0.000 1.189 26 A CA 2.010 54.069 52.037 0.035 0.000 0.615 26 A CB -1.233 17.823 19.000 0.093 0.000 0.830 26 A HN 0.400 nan 8.150 nan 0.000 0.443 27 T N 1.490 116.057 114.554 0.022 0.000 2.665 27 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 27 T C 1.853 176.546 174.700 -0.011 0.000 1.035 27 T CA 2.039 64.145 62.100 0.012 0.000 1.151 27 T CB -0.758 68.114 68.868 0.008 0.000 0.862 27 T HN 0.672 nan 8.240 nan 0.000 0.438 28 I N 0.402 120.960 120.570 -0.020 0.000 2.315 28 I HA 0.042 4.212 4.170 -0.000 0.000 0.248 28 I C 2.761 178.863 176.117 -0.025 0.000 1.117 28 I CA 1.340 62.623 61.300 -0.029 0.000 1.404 28 I CB -0.801 37.179 38.000 -0.033 0.000 1.071 28 I HN 0.133 nan 8.210 nan 0.000 0.419 29 A N 1.561 124.370 122.820 -0.018 0.000 1.972 29 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 29 A C 2.389 179.961 177.584 -0.019 0.000 1.169 29 A CA 1.591 53.617 52.037 -0.018 0.000 0.635 29 A CB -0.799 18.195 19.000 -0.011 0.000 0.810 29 A HN 0.599 nan 8.150 nan 0.000 0.446 30 A N -0.805 122.006 122.820 -0.015 0.000 2.238 30 A HA 0.110 4.429 4.320 -0.000 0.000 0.208 30 A C 1.935 179.502 177.584 -0.027 0.000 1.177 30 A CA 0.416 52.442 52.037 -0.018 0.000 0.804 30 A CB -0.364 18.632 19.000 -0.007 0.000 0.823 30 A HN 0.539 nan 8.150 nan 0.000 0.482 31 R N -0.598 119.883 120.500 -0.031 0.000 2.161 31 R HA 0.049 4.388 4.340 -0.000 0.000 0.213 31 R C 0.004 176.280 176.300 -0.040 0.000 1.055 31 R CA 0.474 56.551 56.100 -0.038 0.000 0.996 31 R CB 0.056 30.331 30.300 -0.042 0.000 0.901 31 R HN 0.431 nan 8.270 nan 0.000 0.456 32 Q N 0.380 120.158 119.800 -0.036 0.000 2.230 32 Q HA 0.333 4.673 4.340 -0.000 0.000 0.253 32 Q C -0.514 175.462 176.000 -0.039 0.000 0.919 32 Q CA -0.021 55.760 55.803 -0.037 0.000 0.908 32 Q CB 2.184 30.902 28.738 -0.033 0.000 1.245 32 Q HN -0.051 nan 8.270 nan 0.000 0.437 33 S N -0.283 115.392 115.700 -0.042 0.000 2.688 33 S HA 0.804 5.273 4.470 -0.000 0.000 0.275 33 S C -1.125 173.452 174.600 -0.038 0.000 1.175 33 S CA 0.359 58.533 58.200 -0.044 0.000 0.818 33 S CB 1.400 64.567 63.200 -0.054 0.000 1.157 33 S HN 0.549 nan 8.310 nan 0.000 0.482 34 A N 0.075 122.874 122.820 -0.034 0.000 2.574 34 A HA 0.225 4.545 4.320 -0.000 0.000 0.170 34 A C 1.439 179.019 177.584 -0.006 0.000 1.617 34 A CA 1.034 53.058 52.037 -0.022 0.000 1.189 34 A CB -0.825 18.167 19.000 -0.012 0.000 1.496 34 A HN 1.252 nan 8.150 nan 0.000 0.505 35 T N -2.445 112.103 114.554 -0.011 0.000 2.962 35 T HA 0.068 4.418 4.350 -0.000 0.000 0.270 35 T C 1.668 176.396 174.700 0.045 0.000 1.088 35 T CA 1.985 64.103 62.100 0.031 0.000 1.127 35 T CB -0.321 68.505 68.868 -0.069 0.000 0.883 35 T HN 0.519 nan 8.240 nan 0.000 0.493 36 G N 0.949 109.733 108.800 -0.026 0.000 2.623 36 G HA2 0.123 4.083 3.960 -0.000 0.000 0.214 36 G HA3 0.123 4.083 3.960 -0.000 0.000 0.214 36 G C 1.414 176.280 174.900 -0.056 0.000 1.138 36 G CA 1.028 46.098 45.100 -0.050 0.000 0.794 36 G HN 0.711 nan 8.290 nan 0.000 0.535 37 T N -4.189 110.336 114.554 -0.049 0.000 3.186 37 T HA 0.247 4.596 4.350 -0.000 0.000 0.292 37 T C 1.030 175.704 174.700 -0.043 0.000 0.915 37 T CA 0.342 62.410 62.100 -0.054 0.000 0.902 37 T CB 0.051 68.892 68.868 -0.046 0.000 1.192 37 T HN 0.155 nan 8.240 nan 0.000 0.563 38 K N 1.318 121.692 120.400 -0.043 0.000 3.363 38 K HA -0.170 4.149 4.320 -0.000 0.000 0.313 38 K C -0.089 176.515 176.600 0.007 0.000 1.259 38 K CA 1.578 57.851 56.287 -0.025 0.000 0.942 38 K CB -2.453 30.021 32.500 -0.043 0.000 1.229 38 K HN 0.839 nan 8.250 nan 0.000 0.440 39 T N -2.368 112.185 114.554 -0.003 0.000 2.900 39 T HA 0.258 4.607 4.350 -0.000 0.000 0.295 39 T C -0.576 174.116 174.700 -0.013 0.000 1.044 39 T CA -1.039 61.061 62.100 -0.001 0.000 0.995 39 T CB 2.426 71.293 68.868 -0.001 0.000 1.072 39 T HN 0.023 nan 8.240 nan 0.000 0.473 40 D N 2.085 122.477 120.400 -0.014 0.000 2.356 40 D HA 0.212 4.852 4.640 -0.000 0.000 0.272 40 D C -0.539 175.746 176.300 -0.026 0.000 1.337 40 D CA 0.573 54.560 54.000 -0.021 0.000 0.970 40 D CB 0.161 40.949 40.800 -0.021 0.000 1.092 40 D HN 0.574 nan 8.370 nan 0.000 0.516 41 T N 5.361 119.895 114.554 -0.032 0.000 2.886 41 T HA 0.417 4.767 4.350 -0.000 0.000 0.292 41 T C -2.471 172.203 174.700 -0.044 0.000 1.012 41 T CA -1.288 60.789 62.100 -0.038 0.000 0.982 41 T CB 2.426 71.268 68.868 -0.043 0.000 1.018 41 T HN 0.253 nan 8.240 nan 0.000 0.451 42 P HA 0.224 nan 4.420 nan 0.000 0.275 42 P C 1.324 178.589 177.300 -0.058 0.000 1.228 42 P CA -0.515 62.558 63.100 -0.045 0.000 0.786 42 P CB 0.703 32.380 31.700 -0.039 0.000 0.927 43 I N 0.650 121.183 120.570 -0.061 0.000 2.264 43 I HA -0.301 3.868 4.170 -0.000 0.000 0.248 43 I C 1.954 178.014 176.117 -0.095 0.000 1.111 43 I CA 1.446 62.698 61.300 -0.080 0.000 1.382 43 I CB -1.166 36.793 38.000 -0.069 0.000 1.060 43 I HN 0.261 nan 8.210 nan 0.000 0.418 44 Q N 2.630 122.393 119.800 -0.062 0.000 2.364 44 Q HA -0.135 4.205 4.340 -0.000 0.000 0.207 44 Q C 1.302 177.268 176.000 -0.058 0.000 0.970 44 Q CA 1.340 57.117 55.803 -0.044 0.000 0.888 44 Q CB -0.558 28.179 28.738 -0.001 0.000 0.951 44 Q HN 0.638 nan 8.270 nan 0.000 0.469 45 K N 0.795 121.156 120.400 -0.065 0.000 2.437 45 K HA 0.250 4.570 4.320 -0.000 0.000 0.198 45 K C -0.480 176.060 176.600 -0.099 0.000 1.024 45 K CA -0.107 56.144 56.287 -0.060 0.000 1.148 45 K CB 0.959 33.434 32.500 -0.041 0.000 0.860 45 K HN -0.038 nan 8.250 nan 0.000 0.515 46 V N 3.506 123.325 119.914 -0.159 0.000 2.347 46 V HA 0.123 4.243 4.120 -0.000 0.000 0.280 46 V C -1.720 174.168 176.094 -0.343 0.000 1.021 46 V CA -1.635 60.546 62.300 -0.199 0.000 0.847 46 V CB 1.455 33.172 31.823 -0.176 0.000 0.990 46 V HN 0.064 nan 8.190 nan 0.000 0.444 47 P HA -0.013 nan 4.420 nan 0.000 0.259 47 P C 0.077 177.213 177.300 -0.273 0.000 1.307 47 P CA 0.589 63.522 63.100 -0.279 0.000 0.768 47 P CB 0.459 32.075 31.700 -0.140 0.000 1.199 48 Q N -1.166 118.419 119.800 -0.359 0.000 2.462 48 Q HA 0.389 4.729 4.340 -0.000 0.000 0.285 48 Q C -0.782 175.080 176.000 -0.230 0.000 1.035 48 Q CA -0.707 54.969 55.803 -0.211 0.000 0.799 48 Q CB 2.165 30.808 28.738 -0.159 0.000 1.452 48 Q HN -0.214 nan 8.270 nan 0.000 0.404 49 S N 1.558 117.199 115.700 -0.099 0.000 2.510 49 S HA 0.439 4.909 4.470 -0.000 0.000 0.279 49 S C -0.625 173.912 174.600 -0.105 0.000 1.284 49 S CA -0.069 58.093 58.200 -0.064 0.000 1.059 49 S CB -0.051 63.142 63.200 -0.012 0.000 0.901 49 S HN 0.430 nan 8.310 nan 0.000 0.491 50 I N 2.459 122.972 120.570 -0.095 0.000 2.692 50 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 50 I C -0.951 175.124 176.117 -0.070 0.000 1.200 50 I CA -0.096 61.146 61.300 -0.098 0.000 1.036 50 I CB 1.909 39.842 38.000 -0.112 0.000 1.258 50 I HN 0.499 nan 8.210 nan 0.000 0.421 51 S N 5.156 120.815 115.700 -0.069 0.000 2.532 51 S HA 0.774 5.243 4.470 -0.000 0.000 0.301 51 S C -1.069 173.499 174.600 -0.054 0.000 1.083 51 S CA -0.566 57.605 58.200 -0.048 0.000 1.025 51 S CB 2.191 65.367 63.200 -0.040 0.000 1.056 51 S HN 0.396 nan 8.310 nan 0.000 0.494 52 V N 2.667 122.557 119.914 -0.039 0.000 2.588 52 V HA 0.582 4.701 4.120 -0.000 0.000 0.304 52 V C -0.902 175.174 176.094 -0.030 0.000 1.042 52 V CA -0.669 61.607 62.300 -0.040 0.000 0.877 52 V CB 1.899 33.701 31.823 -0.036 0.000 0.996 52 V HN 0.670 nan 8.190 nan 0.000 0.425 53 V N 3.264 123.155 119.914 -0.038 0.000 2.444 53 V HA 0.536 4.656 4.120 -0.000 0.000 0.294 53 V C 0.359 176.436 176.094 -0.028 0.000 1.022 53 V CA -0.506 61.773 62.300 -0.034 0.000 0.850 53 V CB 1.982 33.773 31.823 -0.054 0.000 0.992 53 V HN 1.027 nan 8.190 nan 0.000 0.426 54 T N 1.813 116.363 114.554 -0.007 0.000 2.874 54 T HA 0.606 4.956 4.350 -0.000 0.000 0.281 54 T C 1.398 176.102 174.700 0.006 0.000 0.994 54 T CA 0.136 62.237 62.100 0.001 0.000 1.015 54 T CB 1.850 70.731 68.868 0.022 0.000 1.028 54 T HN 0.780 nan 8.240 nan 0.000 0.523 55 A N 0.985 123.805 122.820 0.001 0.000 1.908 55 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 55 A C 2.153 179.759 177.584 0.036 0.000 1.181 55 A CA 1.823 53.860 52.037 -0.000 0.000 0.627 55 A CB -1.099 17.890 19.000 -0.018 0.000 0.818 55 A HN 0.915 nan 8.150 nan 0.000 0.445 56 E N 0.282 120.525 120.200 0.071 0.000 2.085 56 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 56 E C 1.903 178.595 176.600 0.154 0.000 0.994 56 E CA 1.592 58.078 56.400 0.143 0.000 0.801 56 E CB -0.331 29.479 29.700 0.183 0.000 0.743 56 E HN 0.780 nan 8.360 nan 0.000 0.453 57 E N -0.022 120.252 120.200 0.124 0.000 2.077 57 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 57 E C 2.026 178.651 176.600 0.042 0.000 0.989 57 E CA 1.242 57.697 56.400 0.092 0.000 0.800 57 E CB -0.174 29.564 29.700 0.064 0.000 0.746 57 E HN 0.302 nan 8.360 nan 0.000 0.452 58 M N 0.214 119.823 119.600 0.016 0.000 2.254 58 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 58 M C 2.452 178.742 176.300 -0.017 0.000 1.066 58 M CA 0.973 56.268 55.300 -0.008 0.000 1.123 58 M CB -0.101 32.487 32.600 -0.019 0.000 1.388 58 M HN 0.105 nan 8.290 nan 0.000 0.425 59 A N 0.439 123.261 122.820 0.003 0.000 1.969 59 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 59 A C 2.073 179.619 177.584 -0.063 0.000 1.169 59 A CA 1.248 53.290 52.037 0.009 0.000 0.635 59 A CB -0.539 18.498 19.000 0.061 0.000 0.810 59 A HN 0.438 nan 8.150 nan 0.000 0.445 60 L N -1.166 119.957 121.223 -0.167 0.000 2.049 60 L HA 0.023 4.362 4.340 -0.000 0.000 0.203 60 L C 2.139 178.835 176.870 -0.290 0.000 1.074 60 L CA 2.266 56.855 54.840 -0.419 0.000 0.749 60 L CB -0.841 40.676 42.059 -0.905 0.000 0.907 60 L HN 0.476 nan 8.230 nan 0.000 0.439 61 H N -0.406 118.506 119.070 -0.263 0.000 2.495 61 H HA 0.068 4.624 4.556 -0.000 0.000 0.287 61 H C 0.109 175.276 175.328 -0.268 0.000 1.033 61 H CA 0.631 56.542 56.048 -0.229 0.000 1.307 61 H CB 0.104 29.673 29.762 -0.322 0.000 1.401 61 H HN 0.273 nan 8.280 nan 0.000 0.555 62 Q N 0.400 120.090 119.800 -0.182 0.000 2.453 62 Q HA -0.129 4.211 4.340 -0.000 0.000 0.330 62 Q C -2.375 173.487 176.000 -0.230 0.000 1.417 62 Q CA 0.398 56.018 55.803 -0.304 0.000 0.902 62 Q CB -1.532 26.770 28.738 -0.725 0.000 1.154 62 Q HN 0.538 nan 8.270 nan 0.000 0.395 63 P HA 0.026 nan 4.420 nan 0.000 0.271 63 P C 0.732 177.974 177.300 -0.097 0.000 1.216 63 P CA -0.046 62.994 63.100 -0.100 0.000 0.776 63 P CB 0.922 32.572 31.700 -0.084 0.000 0.881 64 K N 1.853 122.200 120.400 -0.088 0.000 2.057 64 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 64 K C 0.986 177.544 176.600 -0.069 0.000 1.049 64 K CA 1.308 57.546 56.287 -0.082 0.000 0.931 64 K CB 0.076 32.534 32.500 -0.071 0.000 0.714 64 K HN 0.696 nan 8.250 nan 0.000 0.440 65 S N -2.083 113.578 115.700 -0.064 0.000 2.740 65 S HA 0.194 4.664 4.470 -0.000 0.000 0.300 65 S C 1.138 175.700 174.600 -0.063 0.000 1.147 65 S CA -0.453 57.712 58.200 -0.059 0.000 0.871 65 S CB 1.504 64.670 63.200 -0.056 0.000 1.173 65 S HN -0.083 nan 8.310 nan 0.000 0.510 66 V N 1.042 120.918 119.914 -0.064 0.000 2.469 66 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 66 V C 2.435 178.484 176.094 -0.075 0.000 1.064 66 V CA 1.845 64.102 62.300 -0.072 0.000 1.066 66 V CB -1.556 30.221 31.823 -0.077 0.000 0.667 66 V HN 0.839 nan 8.190 nan 0.000 0.461 67 K N 0.668 121.028 120.400 -0.067 0.000 1.987 67 K HA -0.264 4.056 4.320 -0.000 0.000 0.216 67 K C 2.215 178.764 176.600 -0.084 0.000 1.051 67 K CA 2.334 58.580 56.287 -0.070 0.000 0.942 67 K CB -0.356 32.114 32.500 -0.050 0.000 0.722 67 K HN 0.461 nan 8.250 nan 0.000 0.444 68 E N 0.524 120.676 120.200 -0.080 0.000 2.204 68 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 68 E C 1.773 178.302 176.600 -0.118 0.000 0.990 68 E CA 1.125 57.467 56.400 -0.096 0.000 0.821 68 E CB -0.243 29.412 29.700 -0.075 0.000 0.750 68 E HN 0.380 nan 8.360 nan 0.000 0.477 69 A N 0.255 123.012 122.820 -0.105 0.000 2.076 69 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 69 A C 1.763 179.280 177.584 -0.112 0.000 1.160 69 A CA 1.083 53.053 52.037 -0.113 0.000 0.653 69 A CB -0.353 18.593 19.000 -0.089 0.000 0.801 69 A HN 0.249 nan 8.150 nan 0.000 0.455 70 L N -1.163 119.995 121.223 -0.108 0.000 2.667 70 L HA 0.143 4.482 4.340 -0.000 0.000 0.232 70 L C 1.972 178.767 176.870 -0.125 0.000 1.138 70 L CA 0.122 54.903 54.840 -0.098 0.000 0.921 70 L CB 0.147 42.148 42.059 -0.096 0.000 1.180 70 L HN 0.117 nan 8.230 nan 0.000 0.487 71 S N -0.206 115.378 115.700 -0.192 0.000 2.441 71 S HA -0.168 4.302 4.470 -0.000 0.000 0.242 71 S C 0.934 175.197 174.600 -0.562 0.000 1.018 71 S CA 1.543 59.518 58.200 -0.374 0.000 0.988 71 S CB -0.275 62.624 63.200 -0.502 0.000 0.778 71 S HN 0.480 nan 8.310 nan 0.000 0.498 72 Y N 1.009 121.246 120.300 -0.106 0.000 2.708 72 Y HA 0.318 4.868 4.550 -0.000 0.000 0.287 72 Y C 0.565 176.453 175.900 -0.020 0.000 1.145 72 Y CA -0.406 57.669 58.100 -0.042 0.000 1.249 72 Y CB 0.107 38.537 38.460 -0.050 0.000 1.152 72 Y HN -0.021 nan 8.280 nan 0.000 0.532 73 T N 3.484 118.047 114.554 0.015 0.000 2.888 73 T HA 0.354 4.703 4.350 -0.000 0.000 0.284 73 T C -2.676 172.016 174.700 -0.013 0.000 1.017 73 T CA -1.711 60.396 62.100 0.011 0.000 1.022 73 T CB 1.895 70.749 68.868 -0.024 0.000 1.013 73 T HN -0.096 nan 8.240 nan 0.000 0.465 74 P HA 0.378 nan 4.420 nan 0.000 0.282 74 P C 0.576 177.852 177.300 -0.040 0.000 1.249 74 P CA -0.096 62.998 63.100 -0.009 0.000 0.806 74 P CB 0.975 32.696 31.700 0.036 0.000 0.984 75 G N 0.827 109.593 108.800 -0.057 0.000 2.137 75 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.237 75 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.237 75 G C -0.249 174.592 174.900 -0.098 0.000 1.002 75 G CA 0.129 45.187 45.100 -0.071 0.000 0.702 75 G HN 0.639 nan 8.290 nan 0.000 0.515 76 V N -2.190 117.662 119.914 -0.103 0.000 2.612 76 V HA 0.776 4.896 4.120 -0.000 0.000 0.301 76 V C 0.124 176.150 176.094 -0.115 0.000 1.059 76 V CA -0.779 61.451 62.300 -0.116 0.000 0.886 76 V CB 1.753 33.507 31.823 -0.116 0.000 1.007 76 V HN 0.382 nan 8.190 nan 0.000 0.426 77 S N 2.664 118.293 115.700 -0.118 0.000 2.430 77 S HA 0.409 4.878 4.470 -0.000 0.000 0.289 77 S C 0.914 175.461 174.600 -0.088 0.000 1.143 77 S CA -0.117 58.027 58.200 -0.094 0.000 1.067 77 S CB 1.415 64.563 63.200 -0.086 0.000 0.964 77 S HN 1.227 nan 8.310 nan 0.000 0.485 78 V N 1.179 121.054 119.914 -0.065 0.000 3.661 78 V HA 0.427 4.547 4.120 -0.000 0.000 0.271 78 V C 1.254 177.340 176.094 -0.014 0.000 1.315 78 V CA 0.775 63.039 62.300 -0.060 0.000 1.072 78 V CB -0.154 31.622 31.823 -0.079 0.000 0.830 78 V HN 0.760 nan 8.190 nan 0.000 0.443 79 G N -0.112 108.706 108.800 0.030 0.000 3.277 79 G HA2 0.098 4.058 3.960 -0.000 0.000 0.243 79 G HA3 0.098 4.058 3.960 -0.000 0.000 0.243 79 G C 1.036 175.996 174.900 0.099 0.000 1.107 79 G CA 0.767 45.914 45.100 0.079 0.000 0.771 79 G HN 0.339 nan 8.290 nan 0.000 0.544 80 T N 1.094 115.695 114.554 0.079 0.000 2.624 80 T HA -0.262 4.087 4.350 -0.000 0.000 0.266 80 T C 2.285 177.041 174.700 0.094 0.000 1.050 80 T CA 1.721 63.885 62.100 0.106 0.000 1.163 80 T CB -0.049 68.873 68.868 0.090 0.000 0.861 80 T HN 0.277 nan 8.240 nan 0.000 0.443 81 R N 1.149 121.621 120.500 -0.047 0.000 2.328 81 R HA 0.257 4.597 4.340 -0.000 0.000 0.200 81 R C 1.357 177.560 176.300 -0.161 0.000 0.983 81 R CA 0.643 56.531 56.100 -0.354 0.000 1.062 81 R CB -0.990 29.117 30.300 -0.321 0.000 0.956 81 R HN 0.531 nan 8.270 nan 0.000 0.479 82 G N -0.463 108.347 108.800 0.017 0.000 2.574 82 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.286 82 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.286 82 G C 0.998 175.921 174.900 0.037 0.000 1.212 82 G CA 0.659 45.784 45.100 0.041 0.000 0.979 82 G HN 0.467 nan 8.290 nan 0.000 0.557 83 A N -0.329 122.531 122.820 0.067 0.000 2.076 83 A HA 0.325 4.644 4.320 -0.000 0.000 0.220 83 A C 2.001 179.633 177.584 0.080 0.000 1.160 83 A CA 2.452 54.528 52.037 0.065 0.000 0.653 83 A CB -0.694 18.347 19.000 0.068 0.000 0.801 83 A HN 2.048 nan 8.150 nan 0.000 0.455 84 S N -0.855 114.910 115.700 0.109 0.000 2.568 84 S HA 0.171 4.641 4.470 -0.000 0.000 0.282 84 S C 0.622 175.226 174.600 0.006 0.000 1.338 84 S CA 0.242 58.493 58.200 0.085 0.000 1.045 84 S CB 0.327 63.577 63.200 0.082 0.000 0.873 84 S HN 0.537 nan 8.310 nan 0.000 0.516 85 N N 1.012 119.679 118.700 -0.055 0.000 2.167 85 N HA 0.191 4.931 4.740 -0.000 0.000 0.234 85 N C 0.925 176.309 175.510 -0.211 0.000 1.312 85 N CA 0.057 53.049 53.050 -0.098 0.000 0.861 85 N CB 0.278 38.712 38.487 -0.087 0.000 1.217 85 N HN 0.532 nan 8.380 nan 0.000 0.504 86 T N -0.362 113.982 114.554 -0.349 0.000 2.759 86 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 86 T C -0.302 173.848 174.700 -0.917 0.000 1.042 86 T CA 1.651 63.284 62.100 -0.779 0.000 1.140 86 T CB -0.137 67.981 68.868 -1.250 0.000 0.864 86 T HN 0.170 nan 8.240 nan 0.000 0.455 87 Y N -0.139 120.059 120.300 -0.169 0.000 2.581 87 Y HA 0.414 4.964 4.550 -0.000 0.000 0.345 87 Y C -0.688 175.186 175.900 -0.043 0.000 1.036 87 Y CA -2.076 55.959 58.100 -0.108 0.000 1.042 87 Y CB 1.290 39.688 38.460 -0.103 0.000 1.289 87 Y HN -0.139 nan 8.280 nan 0.000 0.471 88 D N 1.027 121.516 120.400 0.147 0.000 2.638 88 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 88 D C -0.552 175.806 176.300 0.095 0.000 1.176 88 D CA 0.035 54.075 54.000 0.067 0.000 0.996 88 D CB -0.116 40.687 40.800 0.005 0.000 1.012 88 D HN 0.557 nan 8.370 nan 0.000 0.515 89 H N 1.881 120.960 119.070 0.016 0.000 2.527 89 H HA 0.416 4.972 4.556 -0.000 0.000 0.321 89 H C -0.808 174.499 175.328 -0.035 0.000 1.087 89 H CA -0.301 55.735 56.048 -0.020 0.000 1.337 89 H CB 1.060 30.813 29.762 -0.016 0.000 1.440 89 H HN 0.162 nan 8.280 nan 0.000 0.490 90 L N 6.739 127.645 121.223 -0.529 0.000 2.410 90 L HA 0.373 4.713 4.340 -0.000 0.000 0.270 90 L C -0.389 176.182 176.870 -0.499 0.000 0.983 90 L CA -0.744 53.850 54.840 -0.409 0.000 0.822 90 L CB 2.490 44.414 42.059 -0.224 0.000 1.285 90 L HN 0.557 nan 8.230 nan 0.000 0.409 91 I N 4.345 124.701 120.570 -0.356 0.000 2.304 91 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 91 I C -0.354 175.660 176.117 -0.173 0.000 1.018 91 I CA -0.188 60.963 61.300 -0.249 0.000 1.260 91 I CB 0.985 38.879 38.000 -0.177 0.000 1.390 91 I HN 0.408 nan 8.210 nan 0.000 0.475 92 I N 6.322 126.812 120.570 -0.134 0.000 2.404 92 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 92 I C 0.719 176.799 176.117 -0.062 0.000 0.992 92 I CA -0.883 60.349 61.300 -0.114 0.000 1.149 92 I CB 1.406 39.327 38.000 -0.131 0.000 1.315 92 I HN 0.559 nan 8.210 nan 0.000 0.446 93 R N 4.247 124.699 120.500 -0.080 0.000 3.627 93 R HA -0.234 4.105 4.340 -0.000 0.000 0.281 93 R C 0.945 177.265 176.300 0.033 0.000 1.140 93 R CA 1.006 57.086 56.100 -0.033 0.000 0.761 93 R CB -1.484 28.733 30.300 -0.138 0.000 1.181 93 R HN 1.225 nan 8.270 nan 0.000 0.472 94 G N -3.238 105.502 108.800 -0.100 0.000 2.199 94 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 94 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 94 G C 0.136 174.756 174.900 -0.468 0.000 0.982 94 G CA 0.343 45.267 45.100 -0.295 0.000 0.632 94 G HN 0.312 nan 8.290 nan 0.000 0.529 95 F N 0.828 120.699 119.950 -0.131 0.000 2.575 95 F HA 0.849 5.375 4.527 -0.000 0.000 0.330 95 F C 0.541 176.268 175.800 -0.122 0.000 1.056 95 F CA -0.216 57.711 58.000 -0.122 0.000 0.964 95 F CB 2.129 41.057 39.000 -0.120 0.000 1.258 95 F HN 0.379 nan 8.300 nan 0.000 0.484 96 A N 0.429 123.333 122.820 0.140 0.000 2.532 96 A HA 0.879 5.198 4.320 -0.000 0.000 0.290 96 A C -1.072 176.558 177.584 0.077 0.000 1.143 96 A CA -0.612 51.469 52.037 0.072 0.000 0.728 96 A CB 0.796 19.878 19.000 0.136 0.000 1.317 96 A HN 1.003 nan 8.150 nan 0.000 0.414 97 A N -0.062 122.790 122.820 0.053 0.000 2.346 97 A HA 0.476 4.796 4.320 -0.000 0.000 0.252 97 A C 0.484 178.076 177.584 0.014 0.000 1.089 97 A CA -0.173 51.868 52.037 0.007 0.000 0.797 97 A CB -0.001 18.990 19.000 -0.015 0.000 1.047 97 A HN 0.797 nan 8.150 nan 0.000 0.494 98 E N 0.148 120.344 120.200 -0.007 0.000 2.493 98 E HA 0.212 4.562 4.350 -0.000 0.000 0.255 98 E C 1.125 177.725 176.600 -0.001 0.000 0.999 98 E CA 1.366 57.770 56.400 0.006 0.000 0.934 98 E CB -0.112 29.592 29.700 0.006 0.000 0.940 98 E HN 1.471 nan 8.360 nan 0.000 0.473 99 G N 4.671 113.471 108.800 -0.001 0.000 2.157 99 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 99 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 99 G C 0.377 175.220 174.900 -0.094 0.000 0.979 99 G CA 0.284 45.367 45.100 -0.030 0.000 0.650 99 G HN 0.616 nan 8.290 nan 0.000 0.529 100 Q N -1.902 117.852 119.800 -0.077 0.000 2.465 100 Q HA -0.174 4.165 4.340 -0.000 0.000 0.248 100 Q C 0.594 176.456 176.000 -0.230 0.000 0.819 100 Q CA 1.365 57.071 55.803 -0.163 0.000 1.219 100 Q CB -2.441 26.111 28.738 -0.310 0.000 1.472 100 Q HN 0.964 nan 8.270 nan 0.000 0.630 101 S N 0.694 116.323 115.700 -0.119 0.000 2.580 101 S HA 0.229 4.699 4.470 -0.000 0.000 0.274 101 S C 0.658 175.239 174.600 -0.031 0.000 1.329 101 S CA -0.397 57.727 58.200 -0.125 0.000 1.036 101 S CB 0.822 63.966 63.200 -0.092 0.000 0.919 101 S HN 0.193 nan 8.310 nan 0.000 0.515 102 Q N 1.593 121.365 119.800 -0.047 0.000 2.524 102 Q HA 0.085 4.424 4.340 -0.000 0.000 0.246 102 Q C -0.021 175.958 176.000 -0.034 0.000 1.063 102 Q CA 0.143 55.951 55.803 0.009 0.000 0.945 102 Q CB 0.224 28.947 28.738 -0.026 0.000 1.292 102 Q HN 0.489 nan 8.270 nan 0.000 0.518 103 N N 1.278 119.959 118.700 -0.033 0.000 2.723 103 N HA 0.152 4.892 4.740 -0.000 0.000 0.290 103 N C -1.819 173.694 175.510 0.005 0.000 1.882 103 N CA -0.270 52.762 53.050 -0.030 0.000 0.851 103 N CB 0.201 38.667 38.487 -0.035 0.000 1.234 103 N HN 0.363 nan 8.380 nan 0.000 0.491 104 N N 0.896 119.566 118.700 -0.051 0.000 2.400 104 N HA 0.326 5.066 4.740 -0.000 0.000 0.288 104 N C -1.244 174.197 175.510 -0.114 0.000 1.024 104 N CA -0.123 52.904 53.050 -0.038 0.000 0.894 104 N CB 0.713 39.154 38.487 -0.078 0.000 1.173 104 N HN 0.191 nan 8.380 nan 0.000 0.487 105 Y N 0.611 120.789 120.300 -0.204 0.000 2.496 105 Y HA 0.637 5.187 4.550 -0.000 0.000 0.331 105 Y C -0.289 175.501 175.900 -0.182 0.000 1.140 105 Y CA -1.086 56.892 58.100 -0.203 0.000 1.166 105 Y CB 1.435 39.739 38.460 -0.260 0.000 1.249 105 Y HN 0.322 nan 8.280 nan 0.000 0.479 106 L N 3.424 124.616 121.223 -0.052 0.000 2.491 106 L HA 0.469 4.809 4.340 -0.000 0.000 0.267 106 L C -0.862 175.966 176.870 -0.070 0.000 0.971 106 L CA -0.445 54.334 54.840 -0.102 0.000 0.857 106 L CB 0.710 42.658 42.059 -0.184 0.000 1.226 106 L HN 0.756 nan 8.230 nan 0.000 0.408 107 N N 3.930 122.602 118.700 -0.047 0.000 2.780 107 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 107 N C 0.920 176.447 175.510 0.028 0.000 1.102 107 N CA 1.286 54.319 53.050 -0.027 0.000 0.697 107 N CB -1.390 37.062 38.487 -0.060 0.000 1.028 107 N HN 1.311 nan 8.380 nan 0.000 0.554 108 G N -1.377 107.476 108.800 0.089 0.000 2.184 108 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 108 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 108 G C -0.071 175.009 174.900 0.300 0.000 0.975 108 G CA 0.698 45.919 45.100 0.201 0.000 0.642 108 G HN 0.431 nan 8.290 nan 0.000 0.536 109 L N 0.036 121.363 121.223 0.173 0.000 2.346 109 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 109 L C 0.515 177.263 176.870 -0.205 0.000 1.006 109 L CA -1.047 53.820 54.840 0.047 0.000 0.817 109 L CB 1.959 43.966 42.059 -0.087 0.000 1.272 109 L HN 0.111 nan 8.230 nan 0.000 0.421 110 K N 2.605 122.664 120.400 -0.569 0.000 2.298 110 K HA 0.334 4.654 4.320 -0.000 0.000 0.280 110 K C -0.599 175.659 176.600 -0.570 0.000 1.032 110 K CA -0.437 55.173 56.287 -1.127 0.000 0.958 110 K CB 0.684 32.414 32.500 -1.283 0.000 0.978 110 K HN 0.523 nan 8.250 nan 0.000 0.472 111 L N 5.295 126.222 121.223 -0.494 0.000 2.399 111 L HA 0.109 4.449 4.340 -0.000 0.000 0.257 111 L C 0.346 177.051 176.870 -0.276 0.000 1.236 111 L CA -0.288 54.366 54.840 -0.309 0.000 1.144 111 L CB 0.477 42.391 42.059 -0.242 0.000 1.379 111 L HN 0.493 nan 8.230 nan 0.000 0.414 112 Q N 2.135 121.776 119.800 -0.264 0.000 2.286 112 Q HA 0.217 4.557 4.340 -0.000 0.000 0.265 112 Q C 0.335 176.256 176.000 -0.132 0.000 1.080 112 Q CA 0.104 55.788 55.803 -0.200 0.000 0.906 112 Q CB 1.544 30.173 28.738 -0.181 0.000 1.227 112 Q HN 0.650 nan 8.270 nan 0.000 0.409 113 G N 2.639 111.376 108.800 -0.107 0.000 2.705 113 G HA2 0.486 4.445 3.960 -0.000 0.000 0.299 113 G HA3 0.486 4.445 3.960 -0.000 0.000 0.299 113 G C -0.626 174.255 174.900 -0.031 0.000 1.315 113 G CA -0.404 44.660 45.100 -0.059 0.000 1.045 113 G HN 0.632 nan 8.290 nan 0.000 0.517 114 N N -1.332 117.377 118.700 0.016 0.000 2.516 114 N HA 0.298 5.037 4.740 -0.000 0.000 0.268 114 N C -0.377 175.240 175.510 0.179 0.000 1.096 114 N CA -0.425 52.665 53.050 0.067 0.000 0.954 114 N CB 1.791 40.316 38.487 0.063 0.000 1.676 114 N HN 0.435 nan 8.380 nan 0.000 0.490 115 F N 2.004 121.913 119.950 -0.068 0.000 2.169 115 F HA -0.404 4.123 4.527 -0.000 0.000 0.314 115 F C 0.538 176.254 175.800 -0.140 0.000 0.318 115 F CA 1.426 59.362 58.000 -0.106 0.000 0.904 115 F CB -0.828 38.188 39.000 0.026 0.000 4.078 115 F HN 0.682 nan 8.300 nan 0.000 0.173 116 Y N 0.273 120.512 120.300 -0.101 0.000 2.632 116 Y HA 0.059 4.609 4.550 -0.000 0.000 0.301 116 Y C 1.297 177.231 175.900 0.056 0.000 1.172 116 Y CA 1.100 59.135 58.100 -0.109 0.000 1.328 116 Y CB -0.647 37.766 38.460 -0.078 0.000 1.016 116 Y HN 0.204 nan 8.280 nan 0.000 0.529 117 N N 1.675 120.507 118.700 0.220 0.000 2.868 117 N HA 0.042 4.782 4.740 -0.000 0.000 0.252 117 N C -1.413 174.150 175.510 0.088 0.000 1.130 117 N CA 0.190 53.343 53.050 0.170 0.000 1.026 117 N CB -0.214 38.363 38.487 0.150 0.000 1.335 117 N HN 0.078 nan 8.380 nan 0.000 0.516 118 D N 0.234 120.709 120.400 0.125 0.000 2.619 118 D HA 0.538 5.177 4.640 -0.000 0.000 0.241 118 D C -0.829 175.558 176.300 0.145 0.000 1.087 118 D CA -0.416 53.623 54.000 0.065 0.000 0.851 118 D CB 2.163 42.921 40.800 -0.070 0.000 1.474 118 D HN 0.349 nan 8.370 nan 0.000 0.478 119 A N 1.078 123.927 122.820 0.050 0.000 2.320 119 A HA 0.777 5.097 4.320 -0.000 0.000 0.334 119 A C -0.315 177.270 177.584 0.002 0.000 1.147 119 A CA -0.560 51.494 52.037 0.028 0.000 0.820 119 A CB 1.151 20.140 19.000 -0.019 0.000 1.218 119 A HN 0.375 nan 8.150 nan 0.000 0.482 120 V N -0.846 119.065 119.914 -0.006 0.000 3.001 120 V HA 0.787 4.907 4.120 -0.000 0.000 0.314 120 V C -0.878 175.172 176.094 -0.072 0.000 1.099 120 V CA -0.941 61.335 62.300 -0.040 0.000 0.989 120 V CB 1.799 33.602 31.823 -0.033 0.000 1.040 120 V HN 0.652 nan 8.190 nan 0.000 0.434 121 I N 1.996 122.482 120.570 -0.141 0.000 2.465 121 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 121 I C -0.201 175.866 176.117 -0.083 0.000 1.014 121 I CA -0.088 61.060 61.300 -0.252 0.000 1.093 121 I CB 1.564 39.296 38.000 -0.446 0.000 1.267 121 I HN 0.865 nan 8.210 nan 0.000 0.431 122 D N 8.656 129.097 120.400 0.067 0.000 2.425 122 D HA 0.098 4.738 4.640 -0.000 0.000 0.247 122 D C -1.470 174.846 176.300 0.027 0.000 1.147 122 D CA -1.226 52.812 54.000 0.064 0.000 0.879 122 D CB 2.033 42.908 40.800 0.126 0.000 1.179 122 D HN 0.258 nan 8.370 nan 0.000 0.456 123 P HA -0.196 nan 4.420 nan 0.000 0.221 123 P C 1.224 178.545 177.300 0.036 0.000 1.145 123 P CA 0.771 63.866 63.100 -0.009 0.000 0.795 123 P CB -0.038 31.648 31.700 -0.023 0.000 0.775 124 Y N 1.126 121.386 120.300 -0.066 0.000 2.497 124 Y HA -0.054 4.496 4.550 -0.000 0.000 0.292 124 Y C 1.920 177.781 175.900 -0.065 0.000 1.137 124 Y CA 1.051 59.106 58.100 -0.076 0.000 1.285 124 Y CB -0.488 37.915 38.460 -0.095 0.000 0.991 124 Y HN -0.146 nan 8.280 nan 0.000 0.556 125 M N -0.053 119.507 119.600 -0.067 0.000 2.431 125 M HA 0.226 4.705 4.480 -0.000 0.000 0.237 125 M C -0.338 175.883 176.300 -0.131 0.000 1.130 125 M CA 0.270 55.504 55.300 -0.110 0.000 1.002 125 M CB -0.673 31.980 32.600 0.089 0.000 1.524 125 M HN -0.025 nan 8.290 nan 0.000 0.482 126 L N 0.052 121.199 121.223 -0.127 0.000 2.344 126 L HA 0.318 4.657 4.340 -0.000 0.000 0.272 126 L C 1.303 178.108 176.870 -0.108 0.000 1.035 126 L CA -0.226 54.544 54.840 -0.116 0.000 0.807 126 L CB 1.745 43.744 42.059 -0.100 0.000 1.237 126 L HN 0.118 nan 8.230 nan 0.000 0.442 127 E N 0.743 120.889 120.200 -0.091 0.000 2.340 127 E HA 0.097 4.447 4.350 -0.000 0.000 0.198 127 E C -0.211 176.355 176.600 -0.057 0.000 0.961 127 E CA 0.075 56.431 56.400 -0.073 0.000 0.905 127 E CB 0.715 30.376 29.700 -0.065 0.000 0.884 127 E HN 0.590 nan 8.360 nan 0.000 0.491 128 R N -1.786 118.677 120.500 -0.063 0.000 3.012 128 R HA 0.607 4.947 4.340 -0.000 0.000 0.287 128 R C -1.900 174.359 176.300 -0.068 0.000 0.990 128 R CA -0.690 55.377 56.100 -0.056 0.000 0.839 128 R CB 0.435 30.707 30.300 -0.045 0.000 1.317 128 R HN -0.033 nan 8.270 nan 0.000 0.518 129 A N 0.848 123.628 122.820 -0.067 0.000 2.435 129 A HA 0.729 5.048 4.320 -0.000 0.000 0.304 129 A C -1.271 176.267 177.584 -0.078 0.000 1.064 129 A CA -0.712 51.278 52.037 -0.078 0.000 0.727 129 A CB 2.010 20.962 19.000 -0.080 0.000 1.284 129 A HN 0.692 nan 8.150 nan 0.000 0.415 130 E N 1.023 121.168 120.200 -0.092 0.000 2.275 130 E HA 0.495 4.845 4.350 -0.000 0.000 0.270 130 E C -1.523 175.002 176.600 -0.125 0.000 0.882 130 E CA -0.326 56.015 56.400 -0.099 0.000 0.758 130 E CB 2.375 32.016 29.700 -0.097 0.000 1.195 130 E HN 0.580 nan 8.360 nan 0.000 0.419 131 I N 3.053 123.550 120.570 -0.121 0.000 2.378 131 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 131 I C -0.543 175.482 176.117 -0.154 0.000 0.992 131 I CA -0.802 60.413 61.300 -0.143 0.000 1.154 131 I CB 1.528 39.453 38.000 -0.125 0.000 1.315 131 I HN 0.421 nan 8.210 nan 0.000 0.448 132 M N 6.920 126.404 119.600 -0.193 0.000 2.114 132 M HA 0.438 4.918 4.480 -0.000 0.000 0.332 132 M C -0.824 175.354 176.300 -0.203 0.000 1.014 132 M CA -0.174 55.008 55.300 -0.195 0.000 0.956 132 M CB 0.785 33.248 32.600 -0.229 0.000 1.551 132 M HN 0.420 nan 8.290 nan 0.000 0.427 133 R N 3.440 123.827 120.500 -0.189 0.000 2.349 133 R HA 0.810 5.150 4.340 -0.000 0.000 0.299 133 R C 0.267 176.417 176.300 -0.250 0.000 1.027 133 R CA 0.433 56.400 56.100 -0.221 0.000 0.958 133 R CB 1.229 31.392 30.300 -0.228 0.000 1.047 133 R HN 1.039 nan 8.270 nan 0.000 0.468 134 G N 3.091 111.723 108.800 -0.280 0.000 2.685 134 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.387 134 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.387 134 G C -2.788 171.946 174.900 -0.277 0.000 1.324 134 G CA -1.331 43.594 45.100 -0.291 0.000 0.878 134 G HN 0.404 nan 8.290 nan 0.000 0.527 135 P HA 0.384 nan 4.420 nan 0.000 0.268 135 P C 0.732 177.879 177.300 -0.256 0.000 1.205 135 P CA 0.787 63.709 63.100 -0.296 0.000 0.771 135 P CB 0.969 32.460 31.700 -0.348 0.000 0.858 136 V N -1.388 118.395 119.914 -0.218 0.000 3.399 136 V HA 0.148 4.267 4.120 -0.000 0.000 0.357 136 V C 1.143 177.179 176.094 -0.096 0.000 1.480 136 V CA 0.029 62.243 62.300 -0.143 0.000 1.263 136 V CB -0.305 31.457 31.823 -0.102 0.000 1.103 136 V HN 0.269 nan 8.190 nan 0.000 0.533 137 S N 0.706 116.315 115.700 -0.152 0.000 2.419 137 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 137 S C 1.841 176.368 174.600 -0.121 0.000 1.016 137 S CA 1.752 59.883 58.200 -0.115 0.000 0.974 137 S CB 0.214 63.364 63.200 -0.084 0.000 0.786 137 S HN 0.598 nan 8.310 nan 0.000 0.492 138 V N 0.830 120.645 119.914 -0.165 0.000 2.982 138 V HA -0.058 4.062 4.120 -0.000 0.000 0.265 138 V C 1.197 177.144 176.094 -0.244 0.000 1.122 138 V CA 1.535 63.731 62.300 -0.173 0.000 1.143 138 V CB -0.269 31.459 31.823 -0.159 0.000 0.726 138 V HN 0.490 nan 8.190 nan 0.000 0.507 139 L N -2.879 118.124 121.223 -0.366 0.000 3.017 139 L HA 0.228 4.567 4.340 -0.000 0.000 0.265 139 L C 1.161 177.412 176.870 -1.032 0.000 1.128 139 L CA 0.195 54.565 54.840 -0.783 0.000 0.984 139 L CB 0.422 41.991 42.059 -0.817 0.000 1.464 139 L HN 0.282 nan 8.230 nan 0.000 0.556 140 Y N -0.176 119.926 120.300 -0.330 0.000 2.527 140 Y HA 0.537 5.086 4.550 -0.000 0.000 0.247 140 Y C 1.306 177.143 175.900 -0.106 0.000 1.138 140 Y CA 0.111 58.076 58.100 -0.226 0.000 1.228 140 Y CB 0.784 39.066 38.460 -0.297 0.000 1.252 140 Y HN 0.101 nan 8.280 nan 0.000 0.531 141 G N 1.698 110.503 108.800 0.008 0.000 2.568 141 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.222 141 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.222 141 G C -0.555 174.225 174.900 -0.199 0.000 1.321 141 G CA -0.611 44.535 45.100 0.077 0.000 0.893 141 G HN 0.379 nan 8.290 nan 0.000 0.569 142 K N -0.710 119.386 120.400 -0.507 0.000 2.473 142 K HA 0.441 4.761 4.320 -0.000 0.000 0.277 142 K C 0.034 176.323 176.600 -0.519 0.000 1.052 142 K CA 0.917 56.505 56.287 -1.164 0.000 1.114 142 K CB 0.658 32.698 32.500 -0.767 0.000 0.869 142 K HN 1.146 nan 8.250 nan 0.000 0.481 143 S N 2.077 117.470 115.700 -0.511 0.000 2.550 143 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 143 S C -1.021 173.412 174.600 -0.278 0.000 1.145 143 S CA -0.677 57.352 58.200 -0.285 0.000 0.852 143 S CB 1.520 64.584 63.200 -0.226 0.000 1.119 143 S HN 0.823 nan 8.310 nan 0.000 0.465 144 S N 3.832 119.411 115.700 -0.202 0.000 2.576 144 S HA 0.501 4.971 4.470 -0.000 0.000 0.276 144 S C -2.413 172.040 174.600 -0.245 0.000 1.339 144 S CA -0.706 57.382 58.200 -0.187 0.000 1.039 144 S CB 0.428 63.563 63.200 -0.107 0.000 0.902 144 S HN 0.581 nan 8.310 nan 0.000 0.516 145 P HA 0.385 nan 4.420 nan 0.000 0.274 145 P C 0.994 178.072 177.300 -0.371 0.000 1.231 145 P CA 0.534 63.374 63.100 -0.432 0.000 0.790 145 P CB 0.759 32.065 31.700 -0.657 0.000 0.951 146 G N 0.072 108.689 108.800 -0.305 0.000 2.313 146 G HA2 0.056 4.016 3.960 -0.000 0.000 0.215 146 G HA3 0.056 4.016 3.960 -0.000 0.000 0.215 146 G C 0.276 175.063 174.900 -0.190 0.000 1.023 146 G CA 0.280 45.272 45.100 -0.179 0.000 0.626 146 G HN 1.029 nan 8.290 nan 0.000 0.503 147 G N -1.113 107.566 108.800 -0.202 0.000 2.324 147 G HA2 0.602 4.562 3.960 -0.000 0.000 0.293 147 G HA3 0.602 4.562 3.960 -0.000 0.000 0.293 147 G C -1.767 173.000 174.900 -0.221 0.000 1.297 147 G CA 0.011 44.985 45.100 -0.209 0.000 0.853 147 G HN 1.609 nan 8.290 nan 0.000 0.535 148 L N -0.607 120.469 121.223 -0.244 0.000 2.643 148 L HA 0.778 5.118 4.340 -0.000 0.000 0.257 148 L C -2.028 174.689 176.870 -0.256 0.000 0.922 148 L CA -1.019 53.653 54.840 -0.279 0.000 0.909 148 L CB 1.896 43.651 42.059 -0.507 0.000 1.424 148 L HN 1.022 nan 8.230 nan 0.000 0.422 149 L N 3.810 124.932 121.223 -0.169 0.000 2.307 149 L HA 0.632 4.972 4.340 -0.000 0.000 0.284 149 L C -1.129 175.670 176.870 -0.119 0.000 1.023 149 L CA 0.244 54.999 54.840 -0.141 0.000 0.810 149 L CB 1.521 43.519 42.059 -0.101 0.000 1.231 149 L HN 0.730 nan 8.230 nan 0.000 0.423 150 N N 4.762 123.376 118.700 -0.143 0.000 2.448 150 N HA 0.565 5.305 4.740 -0.000 0.000 0.279 150 N C -1.404 174.051 175.510 -0.092 0.000 1.025 150 N CA -0.350 52.635 53.050 -0.108 0.000 0.898 150 N CB 1.126 39.512 38.487 -0.169 0.000 1.303 150 N HN 0.666 nan 8.380 nan 0.000 0.495 151 M N 1.739 121.288 119.600 -0.084 0.000 2.423 151 M HA 0.502 4.982 4.480 -0.000 0.000 0.335 151 M C -0.601 175.641 176.300 -0.096 0.000 1.177 151 M CA -1.024 54.216 55.300 -0.099 0.000 1.038 151 M CB 1.877 34.403 32.600 -0.124 0.000 1.641 151 M HN 0.064 nan 8.290 nan 0.000 0.455 152 V N 1.446 121.304 119.914 -0.093 0.000 2.448 152 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 152 V C -0.116 175.918 176.094 -0.100 0.000 1.025 152 V CA -0.831 61.418 62.300 -0.085 0.000 0.859 152 V CB 1.705 33.489 31.823 -0.065 0.000 0.988 152 V HN 0.944 nan 8.190 nan 0.000 0.431 153 S N 3.532 119.168 115.700 -0.106 0.000 2.579 153 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 153 S C 0.143 174.692 174.600 -0.085 0.000 1.345 153 S CA -0.483 57.650 58.200 -0.111 0.000 1.031 153 S CB 0.398 63.531 63.200 -0.111 0.000 0.892 153 S HN 0.628 nan 8.310 nan 0.000 0.529 154 K N 1.902 122.249 120.400 -0.089 0.000 2.350 154 K HA 0.204 4.524 4.320 -0.000 0.000 0.279 154 K C 0.057 176.627 176.600 -0.049 0.000 1.027 154 K CA -0.206 56.032 56.287 -0.082 0.000 0.969 154 K CB 0.392 32.821 32.500 -0.117 0.000 0.954 154 K HN 0.367 nan 8.250 nan 0.000 0.474 155 R N 2.397 122.874 120.500 -0.037 0.000 2.828 155 R HA 0.413 4.753 4.340 -0.000 0.000 0.264 155 R C -2.583 173.710 176.300 -0.011 0.000 1.022 155 R CA -2.810 53.282 56.100 -0.013 0.000 1.021 155 R CB 0.101 30.392 30.300 -0.015 0.000 1.163 155 R HN 0.402 nan 8.270 nan 0.000 0.494 156 P HA -0.005 nan 4.420 nan 0.000 0.265 156 P C -0.113 177.164 177.300 -0.039 0.000 1.193 156 P CA 0.404 63.490 63.100 -0.022 0.000 0.765 156 P CB 0.423 32.112 31.700 -0.018 0.000 0.823 157 T N -1.212 113.310 114.554 -0.052 0.000 2.899 157 T HA 0.237 4.587 4.350 -0.000 0.000 0.284 157 T C 1.445 176.121 174.700 -0.039 0.000 1.004 157 T CA -0.077 62.000 62.100 -0.039 0.000 1.043 157 T CB 0.556 69.407 68.868 -0.027 0.000 1.013 157 T HN 0.446 nan 8.240 nan 0.000 0.518 158 T N -1.259 113.280 114.554 -0.026 0.000 2.698 158 T HA -0.023 4.327 4.350 -0.000 0.000 0.260 158 T C 0.894 175.586 174.700 -0.013 0.000 1.044 158 T CA 0.702 62.789 62.100 -0.021 0.000 1.149 158 T CB -0.470 68.388 68.868 -0.017 0.000 0.864 158 T HN 0.887 nan 8.240 nan 0.000 0.419 159 E N 3.601 123.798 120.200 -0.005 0.000 2.371 159 E HA 0.282 4.632 4.350 -0.000 0.000 0.257 159 E C -2.949 173.657 176.600 0.011 0.000 1.134 159 E CA -2.285 54.120 56.400 0.008 0.000 0.919 159 E CB 0.176 29.885 29.700 0.016 0.000 1.025 159 E HN 0.143 nan 8.360 nan 0.000 0.438 160 P HA 0.266 nan 4.420 nan 0.000 0.274 160 P C -1.001 176.344 177.300 0.074 0.000 1.237 160 P CA -0.414 62.711 63.100 0.042 0.000 0.793 160 P CB 0.510 32.246 31.700 0.060 0.000 0.977 161 L N 1.965 123.252 121.223 0.107 0.000 2.516 161 L HA 0.469 4.808 4.340 -0.000 0.000 0.267 161 L C -1.284 175.772 176.870 0.311 0.000 0.957 161 L CA -0.188 54.750 54.840 0.164 0.000 0.860 161 L CB 1.701 43.823 42.059 0.105 0.000 1.265 161 L HN 0.181 nan 8.230 nan 0.000 0.403 162 K N 4.491 125.123 120.400 0.386 0.000 2.664 162 K HA 0.419 4.739 4.320 -0.000 0.000 0.234 162 K C -1.276 175.649 176.600 0.542 0.000 0.980 162 K CA -0.385 56.304 56.287 0.670 0.000 0.996 162 K CB 1.697 34.483 32.500 0.477 0.000 1.190 162 K HN 0.592 nan 8.250 nan 0.000 0.479 163 E N 2.361 122.719 120.200 0.262 0.000 2.212 163 E HA 0.499 4.849 4.350 -0.000 0.000 0.268 163 E C -1.299 175.311 176.600 0.018 0.000 0.902 163 E CA -0.952 55.554 56.400 0.177 0.000 0.779 163 E CB 1.799 31.561 29.700 0.103 0.000 1.172 163 E HN 0.126 nan 8.360 nan 0.000 0.409 164 V N 3.595 123.605 119.914 0.160 0.000 2.709 164 V HA 0.351 4.470 4.120 -0.000 0.000 0.308 164 V C -0.741 175.251 176.094 -0.169 0.000 1.062 164 V CA -0.749 61.548 62.300 -0.005 0.000 0.901 164 V CB 1.888 33.796 31.823 0.141 0.000 1.003 164 V HN 0.704 nan 8.190 nan 0.000 0.425 165 Q N 2.551 122.084 119.800 -0.446 0.000 2.356 165 Q HA 0.720 5.060 4.340 -0.000 0.000 0.270 165 Q C -2.147 173.457 176.000 -0.660 0.000 1.058 165 Q CA -0.508 55.016 55.803 -0.465 0.000 0.802 165 Q CB 2.305 30.820 28.738 -0.371 0.000 1.303 165 Q HN 0.617 nan 8.270 nan 0.000 0.444 166 F N 1.472 121.377 119.950 -0.075 0.000 2.551 166 F HA 0.571 5.098 4.527 -0.000 0.000 0.316 166 F C -0.312 175.471 175.800 -0.029 0.000 1.089 166 F CA -0.672 57.325 58.000 -0.005 0.000 0.915 166 F CB 2.073 41.116 39.000 0.071 0.000 1.186 166 F HN 0.274 nan 8.300 nan 0.000 0.456 167 K N 1.739 122.260 120.400 0.202 0.000 2.468 167 K HA 0.895 5.215 4.320 -0.000 0.000 0.252 167 K C -1.496 175.186 176.600 0.135 0.000 0.932 167 K CA -1.036 55.310 56.287 0.099 0.000 0.794 167 K CB 2.674 35.174 32.500 -0.001 0.000 1.241 167 K HN 0.680 nan 8.250 nan 0.000 0.428 168 A N 1.535 124.388 122.820 0.056 0.000 2.408 168 A HA 0.838 5.157 4.320 -0.000 0.000 0.295 168 A C -0.696 176.814 177.584 -0.123 0.000 1.040 168 A CA -0.452 51.563 52.037 -0.037 0.000 0.707 168 A CB 1.693 20.745 19.000 0.086 0.000 1.235 168 A HN 0.788 nan 8.150 nan 0.000 0.418 169 G N -0.020 108.622 108.800 -0.264 0.000 2.870 169 G HA2 0.647 4.607 3.960 -0.000 0.000 0.299 169 G HA3 0.647 4.607 3.960 -0.000 0.000 0.299 169 G C -0.318 174.452 174.900 -0.217 0.000 1.324 169 G CA -0.129 44.860 45.100 -0.184 0.000 0.808 169 G HN 0.769 nan 8.290 nan 0.000 0.535 170 T N 0.742 115.212 114.554 -0.140 0.000 2.748 170 T HA 0.294 4.644 4.350 -0.000 0.000 0.304 170 T C 0.218 174.837 174.700 -0.135 0.000 1.041 170 T CA 0.830 62.858 62.100 -0.119 0.000 1.033 170 T CB 0.313 69.135 68.868 -0.077 0.000 0.995 170 T HN 0.633 nan 8.240 nan 0.000 0.536 171 D N -0.275 120.062 120.400 -0.106 0.000 3.039 171 D HA -0.193 4.446 4.640 -0.000 0.000 0.222 171 D C 0.279 176.511 176.300 -0.112 0.000 1.179 171 D CA 1.191 55.136 54.000 -0.091 0.000 0.880 171 D CB -1.396 39.356 40.800 -0.079 0.000 1.115 171 D HN 0.692 nan 8.370 nan 0.000 0.416 172 S N -1.664 113.928 115.700 -0.180 0.000 3.787 172 S HA -0.246 4.224 4.470 -0.000 0.000 0.321 172 S C 0.102 174.468 174.600 -0.390 0.000 1.119 172 S CA 0.461 58.502 58.200 -0.265 0.000 0.918 172 S CB -1.019 62.157 63.200 -0.040 0.000 0.913 172 S HN 0.483 nan 8.310 nan 0.000 0.506 173 L N 2.184 123.158 121.223 -0.415 0.000 2.418 173 L HA 0.638 4.978 4.340 -0.000 0.000 0.274 173 L C -0.645 175.930 176.870 -0.491 0.000 1.135 173 L CA 0.669 55.319 54.840 -0.317 0.000 0.870 173 L CB -0.330 41.604 42.059 -0.208 0.000 1.154 173 L HN 0.139 nan 8.230 nan 0.000 0.462 174 F N 4.532 124.474 119.950 -0.013 0.000 2.539 174 F HA 0.516 5.043 4.527 -0.000 0.000 0.328 174 F C -0.046 175.750 175.800 -0.006 0.000 1.148 174 F CA -0.461 57.544 58.000 0.008 0.000 0.940 174 F CB 1.570 40.584 39.000 0.023 0.000 1.194 174 F HN 0.530 nan 8.300 nan 0.000 0.438 175 Q N 1.871 121.783 119.800 0.187 0.000 2.331 175 Q HA 0.643 4.983 4.340 -0.000 0.000 0.272 175 Q C -1.490 174.562 176.000 0.087 0.000 1.062 175 Q CA -0.564 55.279 55.803 0.067 0.000 0.806 175 Q CB 2.618 31.325 28.738 -0.052 0.000 1.312 175 Q HN 0.649 nan 8.270 nan 0.000 0.431 176 T N 1.718 116.301 114.554 0.047 0.000 2.928 176 T HA 0.838 5.187 4.350 -0.000 0.000 0.296 176 T C -0.965 173.693 174.700 -0.070 0.000 1.000 176 T CA -0.027 62.086 62.100 0.022 0.000 0.989 176 T CB 1.194 70.195 68.868 0.222 0.000 1.005 176 T HN 0.757 nan 8.240 nan 0.000 0.442 177 G N 2.920 111.595 108.800 -0.208 0.000 2.708 177 G HA2 0.806 4.766 3.960 -0.000 0.000 0.289 177 G HA3 0.806 4.766 3.960 -0.000 0.000 0.289 177 G C -1.661 173.216 174.900 -0.038 0.000 1.416 177 G CA -0.880 44.132 45.100 -0.146 0.000 0.829 177 G HN 0.850 nan 8.290 nan 0.000 0.480 178 F N -1.391 118.513 119.950 -0.075 0.000 2.645 178 F HA 0.829 5.356 4.527 -0.000 0.000 0.310 178 F C -1.761 173.885 175.800 -0.257 0.000 1.102 178 F CA -1.531 56.293 58.000 -0.294 0.000 0.952 178 F CB 2.618 41.305 39.000 -0.522 0.000 1.326 178 F HN 0.377 nan 8.300 nan 0.000 0.456 179 D N 1.903 122.064 120.400 -0.397 0.000 2.323 179 D HA 0.355 4.995 4.640 -0.000 0.000 0.242 179 D C -1.971 174.199 176.300 -0.218 0.000 1.347 179 D CA -0.113 53.710 54.000 -0.296 0.000 0.988 179 D CB 0.722 41.378 40.800 -0.239 0.000 1.314 179 D HN 0.382 nan 8.370 nan 0.000 0.564 180 F N 1.248 121.356 119.950 0.264 0.000 2.426 180 F HA 0.560 5.087 4.527 -0.000 0.000 0.348 180 F C 0.614 176.492 175.800 0.131 0.000 1.124 180 F CA -0.863 57.272 58.000 0.225 0.000 1.008 180 F CB 2.127 41.312 39.000 0.309 0.000 1.139 180 F HN 0.014 nan 8.300 nan 0.000 0.452 181 S N 2.259 118.056 115.700 0.161 0.000 2.547 181 S HA 0.714 5.184 4.470 -0.000 0.000 0.281 181 S C -1.785 172.647 174.600 -0.280 0.000 1.118 181 S CA -0.309 57.795 58.200 -0.160 0.000 0.947 181 S CB 1.510 64.662 63.200 -0.079 0.000 1.053 181 S HN 0.696 nan 8.310 nan 0.000 0.482 182 D N 0.735 120.732 120.400 -0.672 0.000 2.653 182 D HA 0.457 5.097 4.640 -0.000 0.000 0.258 182 D C -1.122 175.021 176.300 -0.262 0.000 1.252 182 D CA -0.183 53.609 54.000 -0.348 0.000 0.777 182 D CB 1.952 42.675 40.800 -0.129 0.000 1.339 182 D HN 0.425 nan 8.370 nan 0.000 0.422 183 S N 0.513 116.195 115.700 -0.029 0.000 2.632 183 S HA 0.421 4.891 4.470 -0.000 0.000 0.271 183 S C 1.116 175.829 174.600 0.188 0.000 1.260 183 S CA -0.596 57.649 58.200 0.074 0.000 1.010 183 S CB 1.093 64.327 63.200 0.058 0.000 0.965 183 S HN 0.411 nan 8.310 nan 0.000 0.534 184 L N 0.607 121.984 121.223 0.257 0.000 2.515 184 L HA 0.214 4.554 4.340 -0.000 0.000 0.223 184 L C 0.478 177.484 176.870 0.228 0.000 1.079 184 L CA 0.351 55.360 54.840 0.282 0.000 0.857 184 L CB -0.001 42.273 42.059 0.358 0.000 1.050 184 L HN 0.671 nan 8.230 nan 0.000 0.476 185 D N -1.933 118.593 120.400 0.210 0.000 2.419 185 D HA 0.096 4.735 4.640 -0.000 0.000 0.234 185 D C -0.324 176.033 176.300 0.094 0.000 1.014 185 D CA -0.502 53.590 54.000 0.154 0.000 0.919 185 D CB 1.629 42.520 40.800 0.153 0.000 1.366 185 D HN -0.172 nan 8.370 nan 0.000 0.490 186 D N -0.140 120.301 120.400 0.069 0.000 2.347 186 D HA -0.060 4.580 4.640 -0.000 0.000 0.215 186 D C 0.467 176.783 176.300 0.027 0.000 0.976 186 D CA 0.600 54.628 54.000 0.046 0.000 0.884 186 D CB 0.400 41.225 40.800 0.041 0.000 0.915 186 D HN 0.417 nan 8.370 nan 0.000 0.526 187 D N -0.247 120.164 120.400 0.018 0.000 2.367 187 D HA 0.062 4.701 4.640 -0.000 0.000 0.207 187 D C 1.312 177.599 176.300 -0.022 0.000 1.034 187 D CA 0.374 54.369 54.000 -0.008 0.000 0.861 187 D CB 1.034 41.821 40.800 -0.022 0.000 0.943 187 D HN 0.195 nan 8.370 nan 0.000 0.515 188 G N 1.695 110.491 108.800 -0.007 0.000 2.182 188 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.248 188 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.248 188 G C 0.944 175.813 174.900 -0.052 0.000 1.042 188 G CA 0.455 45.547 45.100 -0.013 0.000 0.775 188 G HN 0.350 nan 8.290 nan 0.000 0.501 189 V N -1.133 118.711 119.914 -0.116 0.000 2.788 189 V HA 0.369 4.489 4.120 -0.000 0.000 0.251 189 V C 0.522 176.514 176.094 -0.169 0.000 1.068 189 V CA 1.062 63.216 62.300 -0.244 0.000 1.090 189 V CB -0.167 31.383 31.823 -0.456 0.000 0.710 189 V HN 0.420 nan 8.190 nan 0.000 0.467 190 Y N 0.849 121.226 120.300 0.129 0.000 2.326 190 Y HA 0.685 5.235 4.550 -0.000 0.000 0.329 190 Y C 0.138 176.034 175.900 -0.008 0.000 0.973 190 Y CA -0.986 57.155 58.100 0.068 0.000 1.162 190 Y CB 1.645 40.241 38.460 0.227 0.000 1.147 190 Y HN 0.179 nan 8.280 nan 0.000 0.456 191 S N 2.531 118.202 115.700 -0.047 0.000 2.588 191 S HA 0.869 5.339 4.470 -0.000 0.000 0.275 191 S C -1.373 173.206 174.600 -0.034 0.000 1.130 191 S CA -0.825 57.368 58.200 -0.011 0.000 0.855 191 S CB 2.054 65.223 63.200 -0.051 0.000 1.116 191 S HN 0.582 nan 8.310 nan 0.000 0.472 192 Y N -0.321 120.043 120.300 0.107 0.000 2.698 192 Y HA 0.887 5.437 4.550 -0.000 0.000 0.332 192 Y C -0.589 175.429 175.900 0.197 0.000 1.119 192 Y CA -1.341 56.898 58.100 0.232 0.000 1.109 192 Y CB 1.264 39.961 38.460 0.394 0.000 1.308 192 Y HN 1.019 nan 8.280 nan 0.000 0.499 193 R N 1.302 122.058 120.500 0.427 0.000 2.561 193 R HA 0.630 4.970 4.340 -0.000 0.000 0.266 193 R C -2.787 173.760 176.300 0.411 0.000 1.091 193 R CA -0.767 55.506 56.100 0.288 0.000 0.927 193 R CB 1.920 32.287 30.300 0.112 0.000 1.240 193 R HN 0.853 nan 8.270 nan 0.000 0.449 194 L N 2.695 124.167 121.223 0.414 0.000 2.441 194 L HA 0.558 4.898 4.340 -0.000 0.000 0.270 194 L C -1.461 175.516 176.870 0.178 0.000 0.973 194 L CA 0.093 55.159 54.840 0.376 0.000 0.842 194 L CB 2.395 44.785 42.059 0.552 0.000 1.239 194 L HN 0.677 nan 8.230 nan 0.000 0.406 195 T N 3.259 117.776 114.554 -0.062 0.000 2.824 195 T HA 0.890 5.239 4.350 -0.000 0.000 0.282 195 T C -0.159 174.222 174.700 -0.532 0.000 0.993 195 T CA -0.539 61.336 62.100 -0.375 0.000 0.967 195 T CB 1.654 70.345 68.868 -0.295 0.000 0.960 195 T HN 0.796 nan 8.240 nan 0.000 0.441 196 G N 1.753 109.910 108.800 -1.072 0.000 2.690 196 G HA2 0.754 4.714 3.960 -0.000 0.000 0.293 196 G HA3 0.754 4.714 3.960 -0.000 0.000 0.293 196 G C -1.823 172.843 174.900 -0.390 0.000 1.399 196 G CA -0.907 43.766 45.100 -0.712 0.000 0.890 196 G HN 0.859 nan 8.290 nan 0.000 0.485 197 L N -1.564 119.592 121.223 -0.111 0.000 2.506 197 L HA 0.984 5.323 4.340 -0.000 0.000 0.257 197 L C -0.565 176.303 176.870 -0.004 0.000 0.964 197 L CA -1.403 53.400 54.840 -0.062 0.000 0.836 197 L CB 1.790 43.790 42.059 -0.097 0.000 1.384 197 L HN 1.164 nan 8.230 nan 0.000 0.410 198 A N 2.242 125.059 122.820 -0.004 0.000 2.335 198 A HA 0.923 5.243 4.320 -0.000 0.000 0.304 198 A C -0.802 176.711 177.584 -0.118 0.000 1.118 198 A CA -0.600 51.415 52.037 -0.036 0.000 0.757 198 A CB 1.256 20.362 19.000 0.176 0.000 1.188 198 A HN 0.877 nan 8.150 nan 0.000 0.460 199 R N 1.510 121.849 120.500 -0.268 0.000 2.673 199 R HA 0.744 5.084 4.340 -0.000 0.000 0.281 199 R C -1.266 174.924 176.300 -0.184 0.000 0.991 199 R CA 0.174 56.173 56.100 -0.169 0.000 0.896 199 R CB 2.056 32.261 30.300 -0.158 0.000 1.201 199 R HN 1.142 nan 8.270 nan 0.000 0.457 200 S N 1.788 117.455 115.700 -0.056 0.000 2.537 200 S HA 0.894 5.364 4.470 -0.000 0.000 0.271 200 S C -1.577 173.031 174.600 0.012 0.000 1.148 200 S CA -0.201 57.987 58.200 -0.021 0.000 0.868 200 S CB 2.131 65.358 63.200 0.045 0.000 1.115 200 S HN 1.003 nan 8.310 nan 0.000 0.461 201 A N 1.895 124.711 122.820 -0.006 0.000 2.515 201 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 201 A C -1.626 175.947 177.584 -0.018 0.000 1.065 201 A CA -1.101 50.921 52.037 -0.025 0.000 0.641 201 A CB 0.488 19.448 19.000 -0.066 0.000 1.306 201 A HN 0.896 nan 8.150 nan 0.000 0.441 202 N N 0.047 118.731 118.700 -0.027 0.000 2.443 202 N HA 0.586 5.325 4.740 -0.000 0.000 0.295 202 N C 0.152 175.645 175.510 -0.030 0.000 1.076 202 N CA -0.188 52.851 53.050 -0.018 0.000 0.919 202 N CB 1.834 40.312 38.487 -0.016 0.000 1.176 202 N HN 0.982 nan 8.380 nan 0.000 0.487 203 A N 0.992 123.800 122.820 -0.019 0.000 2.327 203 A HA -0.001 4.318 4.320 -0.000 0.000 0.255 203 A C 1.301 178.860 177.584 -0.041 0.000 1.099 203 A CA -0.104 51.922 52.037 -0.018 0.000 0.801 203 A CB 0.365 19.377 19.000 0.018 0.000 1.062 203 A HN 0.887 nan 8.150 nan 0.000 0.496 204 Q N -0.399 119.372 119.800 -0.048 0.000 2.135 204 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 204 Q C 0.139 176.069 176.000 -0.118 0.000 0.981 204 Q CA 1.290 57.045 55.803 -0.079 0.000 0.856 204 Q CB -0.108 28.587 28.738 -0.072 0.000 0.902 204 Q HN 0.768 nan 8.270 nan 0.000 0.425 205 Q N 1.721 121.428 119.800 -0.156 0.000 2.288 205 Q HA 0.186 4.526 4.340 -0.000 0.000 0.254 205 Q C -0.738 175.186 176.000 -0.127 0.000 0.932 205 Q CA 0.008 55.679 55.803 -0.219 0.000 0.902 205 Q CB 0.835 29.315 28.738 -0.430 0.000 1.203 205 Q HN 0.076 nan 8.270 nan 0.000 0.415 206 K N 0.600 120.929 120.400 -0.119 0.000 2.451 206 K HA 0.168 4.488 4.320 -0.000 0.000 0.280 206 K C 0.847 177.419 176.600 -0.045 0.000 1.020 206 K CA 0.965 57.211 56.287 -0.069 0.000 1.008 206 K CB 0.310 32.770 32.500 -0.066 0.000 0.917 206 K HN 0.994 nan 8.250 nan 0.000 0.478 207 G N 1.809 110.602 108.800 -0.012 0.000 2.213 207 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 207 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 207 G C 0.016 174.932 174.900 0.026 0.000 0.991 207 G CA -0.079 45.028 45.100 0.012 0.000 0.629 207 G HN 0.518 nan 8.290 nan 0.000 0.517 208 S N 0.921 116.634 115.700 0.022 0.000 2.489 208 S HA 0.652 5.122 4.470 -0.000 0.000 0.291 208 S C -0.050 174.564 174.600 0.023 0.000 1.151 208 S CA -0.508 57.717 58.200 0.043 0.000 1.082 208 S CB 1.864 65.116 63.200 0.087 0.000 1.019 208 S HN 0.493 nan 8.310 nan 0.000 0.492 209 E N 1.366 121.579 120.200 0.022 0.000 2.316 209 E HA 0.564 4.913 4.350 -0.000 0.000 0.258 209 E C -0.995 175.599 176.600 -0.010 0.000 0.952 209 E CA -0.883 55.522 56.400 0.009 0.000 0.818 209 E CB 1.553 31.264 29.700 0.018 0.000 1.260 209 E HN 0.508 nan 8.360 nan 0.000 0.416 210 E N 0.665 120.851 120.200 -0.024 0.000 2.308 210 E HA 0.293 4.642 4.350 -0.000 0.000 0.275 210 E C -1.426 175.137 176.600 -0.062 0.000 0.890 210 E CA -0.475 55.893 56.400 -0.053 0.000 0.754 210 E CB 2.149 31.808 29.700 -0.068 0.000 1.207 210 E HN 0.237 nan 8.360 nan 0.000 0.426 211 Q N 1.892 121.641 119.800 -0.085 0.000 2.315 211 Q HA 0.515 4.855 4.340 -0.000 0.000 0.273 211 Q C -1.254 174.615 176.000 -0.218 0.000 1.053 211 Q CA -0.730 54.987 55.803 -0.143 0.000 0.817 211 Q CB 3.281 31.991 28.738 -0.046 0.000 1.326 211 Q HN 0.297 nan 8.270 nan 0.000 0.423 212 R N 1.934 122.186 120.500 -0.414 0.000 2.564 212 R HA 0.507 4.847 4.340 -0.000 0.000 0.284 212 R C -1.965 173.951 176.300 -0.641 0.000 1.031 212 R CA -0.427 55.451 56.100 -0.370 0.000 0.904 212 R CB 1.327 31.505 30.300 -0.204 0.000 1.199 212 R HN 0.598 nan 8.270 nan 0.000 0.443 213 Y N 1.797 122.089 120.300 -0.014 0.000 2.338 213 Y HA 0.686 5.236 4.550 -0.000 0.000 0.333 213 Y C -0.377 175.492 175.900 -0.051 0.000 0.968 213 Y CA -0.593 57.499 58.100 -0.013 0.000 1.123 213 Y CB 2.529 40.991 38.460 0.003 0.000 1.165 213 Y HN 0.712 nan 8.280 nan 0.000 0.452 214 A N 3.666 126.503 122.820 0.028 0.000 2.408 214 A HA 0.787 5.107 4.320 -0.000 0.000 0.295 214 A C -1.997 175.520 177.584 -0.112 0.000 1.040 214 A CA -0.555 51.408 52.037 -0.123 0.000 0.707 214 A CB 1.142 20.019 19.000 -0.204 0.000 1.235 214 A HN 0.591 nan 8.150 nan 0.000 0.418 215 I N 1.694 122.192 120.570 -0.120 0.000 2.498 215 I HA 0.738 4.907 4.170 -0.000 0.000 0.290 215 I C -0.105 176.012 176.117 -0.000 0.000 1.032 215 I CA -0.447 60.843 61.300 -0.016 0.000 1.073 215 I CB 1.963 40.035 38.000 0.120 0.000 1.251 215 I HN 0.896 nan 8.210 nan 0.000 0.426 216 A N 8.536 131.378 122.820 0.038 0.000 2.536 216 A HA 0.787 5.107 4.320 -0.000 0.000 0.329 216 A C -2.764 174.916 177.584 0.158 0.000 1.321 216 A CA -1.354 50.751 52.037 0.113 0.000 0.804 216 A CB 0.001 19.091 19.000 0.150 0.000 1.126 216 A HN 0.458 nan 8.150 nan 0.000 0.480 217 P HA 0.472 nan 4.420 nan 0.000 0.282 217 P C -0.372 177.066 177.300 0.231 0.000 1.262 217 P CA 0.202 63.478 63.100 0.294 0.000 0.773 217 P CB 1.608 33.545 31.700 0.394 0.000 0.879 218 A N 3.551 126.558 122.820 0.311 0.000 2.414 218 A HA 0.778 5.098 4.320 -0.000 0.000 0.306 218 A C -1.746 176.152 177.584 0.522 0.000 1.054 218 A CA -0.481 51.732 52.037 0.294 0.000 0.724 218 A CB 0.913 20.008 19.000 0.159 0.000 1.267 218 A HN 0.436 nan 8.150 nan 0.000 0.418 219 F N 1.294 121.484 119.950 0.400 0.000 2.557 219 F HA 0.634 5.161 4.527 -0.000 0.000 0.316 219 F C -0.263 175.767 175.800 0.384 0.000 1.141 219 F CA 0.105 58.355 58.000 0.417 0.000 0.922 219 F CB 2.310 41.579 39.000 0.448 0.000 1.194 219 F HN 0.503 nan 8.300 nan 0.000 0.443 220 T N 4.786 119.209 114.554 -0.219 0.000 2.855 220 T HA 0.287 4.637 4.350 -0.000 0.000 0.281 220 T C -2.030 172.667 174.700 -0.006 0.000 1.007 220 T CA -0.247 61.839 62.100 -0.022 0.000 1.009 220 T CB 1.097 69.964 68.868 -0.002 0.000 0.983 220 T HN 0.534 nan 8.240 nan 0.000 0.455 221 W N 4.164 125.520 121.300 0.094 0.000 2.463 221 W HA 0.486 5.146 4.660 -0.000 0.000 0.316 221 W C -0.864 175.724 176.519 0.116 0.000 1.004 221 W CA -1.269 56.182 57.345 0.177 0.000 1.309 221 W CB 0.699 30.405 29.460 0.411 0.000 1.288 221 W HN 0.458 nan 8.180 nan 0.000 0.423 222 R N 6.999 127.436 120.500 -0.105 0.000 2.423 222 R HA 0.202 4.542 4.340 -0.000 0.000 0.293 222 R C -1.847 174.182 176.300 -0.451 0.000 1.196 222 R CA -1.468 54.459 56.100 -0.288 0.000 1.262 222 R CB 1.277 31.484 30.300 -0.156 0.000 1.116 222 R HN 0.221 nan 8.270 nan 0.000 0.566 223 P HA -0.187 nan 4.420 nan 0.000 0.218 223 P C -0.469 176.640 177.300 -0.318 0.000 1.148 223 P CA 1.465 64.225 63.100 -0.568 0.000 0.822 223 P CB 0.296 31.553 31.700 -0.739 0.000 0.784 224 D N -3.466 116.748 120.400 -0.310 0.000 2.825 224 D HA 0.129 4.768 4.640 -0.000 0.000 0.327 224 D C -0.732 175.454 176.300 -0.190 0.000 1.277 224 D CA -0.694 53.182 54.000 -0.205 0.000 0.950 224 D CB -0.469 40.221 40.800 -0.183 0.000 1.438 224 D HN -0.214 nan 8.370 nan 0.000 0.526 225 D N -1.593 118.725 120.400 -0.137 0.000 2.336 225 D HA 0.143 4.783 4.640 -0.000 0.000 0.228 225 D C 0.295 176.524 176.300 -0.117 0.000 1.120 225 D CA -0.108 53.823 54.000 -0.116 0.000 0.839 225 D CB 0.084 40.836 40.800 -0.079 0.000 0.932 225 D HN 0.380 nan 8.370 nan 0.000 0.509 226 K N -0.987 119.319 120.400 -0.156 0.000 2.477 226 K HA 0.183 4.503 4.320 -0.000 0.000 0.208 226 K C -0.363 176.080 176.600 -0.261 0.000 1.117 226 K CA -0.124 56.077 56.287 -0.142 0.000 1.039 226 K CB 1.388 33.847 32.500 -0.069 0.000 0.937 226 K HN -0.044 nan 8.250 nan 0.000 0.570 227 T N 1.063 115.419 114.554 -0.330 0.000 2.886 227 T HA 0.297 4.647 4.350 -0.000 0.000 0.292 227 T C -1.425 173.099 174.700 -0.292 0.000 1.012 227 T CA -0.770 61.074 62.100 -0.425 0.000 0.982 227 T CB 1.527 70.059 68.868 -0.560 0.000 1.018 227 T HN -0.031 nan 8.240 nan 0.000 0.451 228 N N 2.309 120.872 118.700 -0.230 0.000 2.549 228 N HA 0.294 5.034 4.740 -0.000 0.000 0.290 228 N C -2.066 173.584 175.510 0.234 0.000 1.122 228 N CA -0.514 52.511 53.050 -0.042 0.000 0.885 228 N CB 1.263 39.706 38.487 -0.074 0.000 1.455 228 N HN 0.579 nan 8.380 nan 0.000 0.521 229 F N 2.977 123.106 119.950 0.298 0.000 2.382 229 F HA 0.484 5.011 4.527 -0.000 0.000 0.361 229 F C -0.664 175.391 175.800 0.425 0.000 1.109 229 F CA -0.169 58.142 58.000 0.518 0.000 1.031 229 F CB 1.171 40.549 39.000 0.629 0.000 1.234 229 F HN 0.160 nan 8.300 nan 0.000 0.445 230 T N 7.491 121.956 114.554 -0.149 0.000 2.772 230 T HA 0.256 4.606 4.350 -0.000 0.000 0.288 230 T C -0.995 173.642 174.700 -0.105 0.000 0.994 230 T CA -0.282 61.796 62.100 -0.038 0.000 0.951 230 T CB 0.418 69.307 68.868 0.035 0.000 0.933 230 T HN 0.419 nan 8.240 nan 0.000 0.447 231 F N 5.291 125.226 119.950 -0.025 0.000 2.445 231 F HA 0.549 5.076 4.527 -0.000 0.000 0.359 231 F C -0.987 174.908 175.800 0.159 0.000 1.101 231 F CA -1.261 56.814 58.000 0.124 0.000 1.177 231 F CB 0.122 39.336 39.000 0.357 0.000 1.110 231 F HN 0.381 nan 8.300 nan 0.000 0.522 232 L N 6.684 127.646 121.223 -0.436 0.000 2.325 232 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 232 L C -0.508 175.974 176.870 -0.647 0.000 1.004 232 L CA -0.608 53.969 54.840 -0.437 0.000 0.823 232 L CB 1.697 43.636 42.059 -0.199 0.000 1.236 232 L HN 0.726 nan 8.230 nan 0.000 0.415 233 S N 1.962 117.334 115.700 -0.546 0.000 2.569 233 S HA 0.744 5.213 4.470 -0.000 0.000 0.280 233 S C -1.396 173.080 174.600 -0.207 0.000 1.111 233 S CA -0.767 57.184 58.200 -0.414 0.000 0.887 233 S CB 2.247 65.277 63.200 -0.282 0.000 1.095 233 S HN 0.492 nan 8.310 nan 0.000 0.476 234 Y N 1.242 121.175 120.300 -0.610 0.000 2.441 234 Y HA 0.686 5.236 4.550 -0.000 0.000 0.334 234 Y C -2.310 173.134 175.900 -0.761 0.000 1.061 234 Y CA -1.212 56.615 58.100 -0.455 0.000 1.032 234 Y CB 1.432 39.722 38.460 -0.284 0.000 1.266 234 Y HN 0.788 nan 8.280 nan 0.000 0.441 235 F N 4.560 124.315 119.950 -0.325 0.000 2.539 235 F HA 0.534 5.061 4.527 -0.000 0.000 0.318 235 F C -0.584 174.992 175.800 -0.373 0.000 1.135 235 F CA -0.623 57.253 58.000 -0.207 0.000 0.915 235 F CB 2.275 41.228 39.000 -0.079 0.000 1.176 235 F HN 0.446 nan 8.300 nan 0.000 0.440 236 Q N 2.761 122.521 119.800 -0.066 0.000 2.289 236 Q HA 0.439 4.779 4.340 -0.000 0.000 0.270 236 Q C -1.929 174.104 176.000 0.054 0.000 1.038 236 Q CA -0.843 54.919 55.803 -0.068 0.000 0.812 236 Q CB 2.269 30.951 28.738 -0.093 0.000 1.300 236 Q HN 0.684 nan 8.270 nan 0.000 0.427 237 N N 2.412 121.168 118.700 0.093 0.000 2.399 237 N HA 0.267 5.006 4.740 -0.000 0.000 0.280 237 N C -1.780 173.809 175.510 0.132 0.000 1.008 237 N CA -0.269 52.853 53.050 0.121 0.000 0.894 237 N CB 1.551 40.123 38.487 0.142 0.000 1.273 237 N HN 0.544 nan 8.380 nan 0.000 0.486 238 E N 4.177 124.424 120.200 0.078 0.000 2.331 238 E HA 0.238 4.588 4.350 -0.000 0.000 0.243 238 E C -1.959 174.669 176.600 0.048 0.000 0.925 238 E CA -1.801 54.622 56.400 0.039 0.000 0.760 238 E CB 1.843 31.531 29.700 -0.020 0.000 1.254 238 E HN 0.519 nan 8.360 nan 0.000 0.419 239 P HA -0.143 nan 4.420 nan 0.000 0.215 239 P C -0.150 177.171 177.300 0.036 0.000 1.157 239 P CA 1.209 64.347 63.100 0.064 0.000 0.863 239 P CB 0.407 32.166 31.700 0.098 0.000 0.787 240 E N -1.715 118.498 120.200 0.021 0.000 2.218 240 E HA 0.216 4.566 4.350 -0.000 0.000 0.263 240 E C 0.166 176.737 176.600 -0.047 0.000 0.879 240 E CA -0.110 56.292 56.400 0.003 0.000 0.762 240 E CB 1.311 31.016 29.700 0.010 0.000 1.166 240 E HN -0.150 nan 8.360 nan 0.000 0.415 241 T N 0.767 115.268 114.554 -0.089 0.000 3.057 241 T HA 0.280 4.630 4.350 -0.000 0.000 0.254 241 T C 0.766 175.328 174.700 -0.231 0.000 1.094 241 T CA 0.628 62.592 62.100 -0.226 0.000 1.088 241 T CB 0.201 68.804 68.868 -0.442 0.000 0.934 241 T HN 0.767 nan 8.240 nan 0.000 0.497 242 G N 0.738 109.455 108.800 -0.139 0.000 2.500 242 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.209 242 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.209 242 G C -0.859 174.032 174.900 -0.015 0.000 1.283 242 G CA -0.718 44.348 45.100 -0.057 0.000 0.960 242 G HN 0.267 nan 8.290 nan 0.000 0.528 243 Y N 0.207 120.480 120.300 -0.045 0.000 2.497 243 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 243 Y C 0.534 176.488 175.900 0.092 0.000 1.199 243 Y CA 0.702 58.818 58.100 0.026 0.000 1.425 243 Y CB 0.690 39.171 38.460 0.036 0.000 1.291 243 Y HN 0.844 nan 8.280 nan 0.000 0.562 244 Y N 4.607 124.387 120.300 -0.865 0.000 2.892 244 Y HA 0.380 4.930 4.550 -0.000 0.000 0.242 244 Y C 0.229 175.776 175.900 -0.588 0.000 1.080 244 Y CA -0.447 57.289 58.100 -0.607 0.000 1.147 244 Y CB 0.036 38.277 38.460 -0.364 0.000 1.229 244 Y HN 0.729 nan 8.280 nan 0.000 0.633 245 G N 0.014 107.992 108.800 -1.370 0.000 2.557 245 G HA2 0.334 4.294 3.960 -0.000 0.000 0.292 245 G HA3 0.334 4.294 3.960 -0.000 0.000 0.292 245 G C -1.273 173.877 174.900 0.416 0.000 1.237 245 G CA -0.259 44.606 45.100 -0.392 0.000 0.978 245 G HN 0.175 nan 8.290 nan 0.000 0.498 246 W N -0.536 120.951 121.300 0.312 0.000 2.702 246 W HA 0.670 5.329 4.660 -0.000 0.000 0.331 246 W C -0.587 176.045 176.519 0.188 0.000 1.049 246 W CA -0.978 56.541 57.345 0.289 0.000 1.230 246 W CB 1.310 31.007 29.460 0.394 0.000 1.408 246 W HN 0.151 nan 8.180 nan 0.000 0.492 247 L N 5.172 126.503 121.223 0.180 0.000 2.381 247 L HA 0.501 4.840 4.340 -0.000 0.000 0.268 247 L C -1.985 174.821 176.870 -0.107 0.000 0.997 247 L CA -2.179 52.704 54.840 0.073 0.000 0.818 247 L CB 2.766 44.820 42.059 -0.008 0.000 1.310 247 L HN 0.043 nan 8.230 nan 0.000 0.416 248 P HA 0.070 nan 4.420 nan 0.000 0.274 248 P C -0.338 176.828 177.300 -0.223 0.000 1.237 248 P CA -0.473 62.546 63.100 -0.134 0.000 0.793 248 P CB 0.831 32.497 31.700 -0.057 0.000 0.977 249 K N 0.796 121.025 120.400 -0.284 0.000 2.288 249 K HA -0.068 4.252 4.320 -0.000 0.000 0.201 249 K C -0.094 176.383 176.600 -0.204 0.000 1.048 249 K CA 1.025 57.148 56.287 -0.273 0.000 0.956 249 K CB -0.214 32.008 32.500 -0.463 0.000 0.746 249 K HN 0.300 nan 8.250 nan 0.000 0.461 250 E N 0.718 120.813 120.200 -0.175 0.000 1.996 250 E HA 0.262 4.612 4.350 -0.000 0.000 0.280 250 E C 0.211 176.779 176.600 -0.054 0.000 1.092 250 E CA 0.424 56.766 56.400 -0.097 0.000 0.862 250 E CB 1.101 30.753 29.700 -0.080 0.000 1.066 250 E HN 0.485 nan 8.360 nan 0.000 0.396 251 G N 2.113 110.899 108.800 -0.024 0.000 2.227 251 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.168 251 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.168 251 G C 0.859 175.789 174.900 0.050 0.000 1.006 251 G CA 0.326 45.443 45.100 0.028 0.000 0.684 251 G HN 0.605 nan 8.290 nan 0.000 0.489 252 T N -3.496 110.993 114.554 -0.108 0.000 3.413 252 T HA 0.331 4.681 4.350 -0.000 0.000 0.187 252 T C 1.841 176.412 174.700 -0.216 0.000 0.961 252 T CA 1.359 63.213 62.100 -0.410 0.000 1.085 252 T CB -0.023 68.332 68.868 -0.854 0.000 1.345 252 T HN 0.481 nan 8.240 nan 0.000 0.326 253 V N 2.161 121.958 119.914 -0.194 0.000 2.358 253 V HA 0.122 4.241 4.120 -0.000 0.000 0.246 253 V C 1.012 177.120 176.094 0.023 0.000 1.047 253 V CA 1.524 63.800 62.300 -0.040 0.000 1.035 253 V CB -0.695 31.155 31.823 0.045 0.000 0.658 253 V HN 0.559 nan 8.190 nan 0.000 0.452 254 E N -0.589 119.607 120.200 -0.007 0.000 2.221 254 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 254 E C -2.648 173.967 176.600 0.024 0.000 0.933 254 E CA -2.266 54.140 56.400 0.009 0.000 0.809 254 E CB 1.685 31.367 29.700 -0.029 0.000 1.190 254 E HN 0.172 nan 8.360 nan 0.000 0.406 255 P HA 0.077 nan 4.420 nan 0.000 0.274 255 P C -0.562 176.768 177.300 0.050 0.000 1.237 255 P CA -0.165 62.967 63.100 0.053 0.000 0.793 255 P CB 0.601 32.328 31.700 0.045 0.000 0.977 256 L N 3.031 124.299 121.223 0.074 0.000 2.479 256 L HA 0.194 4.534 4.340 -0.000 0.000 0.249 256 L C -1.154 175.792 176.870 0.126 0.000 1.178 256 L CA -1.639 53.269 54.840 0.113 0.000 0.811 256 L CB 0.106 42.270 42.059 0.176 0.000 1.187 256 L HN 0.315 nan 8.230 nan 0.000 0.480 257 P HA -0.164 nan 4.420 nan 0.000 0.217 257 P C 0.586 177.945 177.300 0.098 0.000 1.148 257 P CA 1.209 64.409 63.100 0.167 0.000 0.828 257 P CB -0.058 31.795 31.700 0.256 0.000 0.783 258 N N -1.272 117.461 118.700 0.055 0.000 2.521 258 N HA 0.028 4.767 4.740 -0.000 0.000 0.188 258 N C 1.269 176.719 175.510 -0.100 0.000 1.146 258 N CA 1.043 53.987 53.050 -0.176 0.000 0.893 258 N CB -1.172 36.966 38.487 -0.581 0.000 0.975 258 N HN 0.190 nan 8.380 nan 0.000 0.451 259 G N -0.884 107.903 108.800 -0.022 0.000 2.234 259 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 259 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 259 G C 0.052 174.949 174.900 -0.005 0.000 0.987 259 G CA 0.635 45.727 45.100 -0.013 0.000 0.625 259 G HN 0.551 nan 8.290 nan 0.000 0.532 260 K N -0.187 120.205 120.400 -0.013 0.000 2.209 260 K HA 0.803 5.122 4.320 -0.000 0.000 0.238 260 K C 0.637 177.285 176.600 0.080 0.000 1.028 260 K CA -0.598 55.695 56.287 0.010 0.000 0.935 260 K CB 0.860 33.346 32.500 -0.023 0.000 1.162 260 K HN 0.226 nan 8.250 nan 0.000 0.485 261 R N 0.097 120.681 120.500 0.140 0.000 2.836 261 R HA 0.399 4.739 4.340 -0.000 0.000 0.269 261 R C -0.856 175.597 176.300 0.255 0.000 1.010 261 R CA -0.957 55.272 56.100 0.216 0.000 0.930 261 R CB 1.148 31.631 30.300 0.305 0.000 1.218 261 R HN 0.337 nan 8.270 nan 0.000 0.473 262 L N 3.771 125.137 121.223 0.238 0.000 2.367 262 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 262 L C -1.830 175.138 176.870 0.164 0.000 1.129 262 L CA -1.635 53.275 54.840 0.117 0.000 0.839 262 L CB 0.587 42.684 42.059 0.063 0.000 1.133 262 L HN 0.268 nan 8.230 nan 0.000 0.453 263 P HA 0.028 nan 4.420 nan 0.000 0.274 263 P C 0.636 177.592 177.300 -0.573 0.000 1.231 263 P CA -0.379 62.361 63.100 -0.600 0.000 0.790 263 P CB 0.730 31.950 31.700 -0.801 0.000 0.951 264 T N -2.040 111.872 114.554 -1.069 0.000 2.918 264 T HA -0.204 4.146 4.350 -0.000 0.000 0.271 264 T C 0.967 175.419 174.700 -0.415 0.000 1.104 264 T CA 1.579 62.972 62.100 -1.180 0.000 1.114 264 T CB -0.865 67.478 68.868 -0.876 0.000 0.855 264 T HN 0.539 nan 8.240 nan 0.000 0.518 265 D N -0.402 119.826 120.400 -0.285 0.000 2.363 265 D HA 0.049 4.689 4.640 -0.000 0.000 0.214 265 D C 0.273 176.519 176.300 -0.091 0.000 1.093 265 D CA -0.843 53.053 54.000 -0.174 0.000 0.837 265 D CB -0.595 40.101 40.800 -0.173 0.000 0.948 265 D HN 0.402 nan 8.370 nan 0.000 0.507 266 F N 2.489 122.347 119.950 -0.154 0.000 2.572 266 F HA 0.275 4.802 4.527 -0.000 0.000 0.370 266 F C -0.029 175.710 175.800 -0.101 0.000 1.103 266 F CA -0.487 57.461 58.000 -0.087 0.000 1.286 266 F CB 0.530 39.549 39.000 0.032 0.000 1.105 266 F HN -0.185 nan 8.300 nan 0.000 0.583 267 N N 3.932 122.109 118.700 -0.872 0.000 2.448 267 N HA 0.190 4.930 4.740 -0.000 0.000 0.279 267 N C -0.471 174.470 175.510 -0.948 0.000 1.025 267 N CA -0.604 52.014 53.050 -0.719 0.000 0.898 267 N CB 1.173 39.463 38.487 -0.329 0.000 1.303 267 N HN 0.589 nan 8.380 nan 0.000 0.495 268 E N 1.036 120.820 120.200 -0.694 0.000 2.463 268 E HA 0.289 4.639 4.350 -0.000 0.000 0.193 268 E C 0.945 177.506 176.600 -0.065 0.000 1.041 268 E CA -0.597 55.580 56.400 -0.371 0.000 0.879 268 E CB -0.030 29.621 29.700 -0.081 0.000 0.997 268 E HN 0.467 nan 8.360 nan 0.000 0.478 269 G N 0.423 109.220 108.800 -0.005 0.000 2.547 269 G HA2 0.544 4.504 3.960 -0.000 0.000 0.291 269 G HA3 0.544 4.504 3.960 -0.000 0.000 0.291 269 G C 0.012 174.937 174.900 0.041 0.000 1.211 269 G CA -0.539 44.599 45.100 0.063 0.000 0.950 269 G HN 0.334 nan 8.290 nan 0.000 0.504 270 A N -0.478 122.387 122.820 0.076 0.000 2.346 270 A HA 0.330 4.650 4.320 -0.000 0.000 0.255 270 A C 1.606 179.257 177.584 0.111 0.000 1.113 270 A CA 0.449 52.543 52.037 0.096 0.000 0.798 270 A CB 0.265 19.369 19.000 0.174 0.000 1.073 270 A HN 0.756 nan 8.150 nan 0.000 0.502 271 K N -0.123 120.341 120.400 0.107 0.000 2.243 271 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 271 K C 0.604 177.269 176.600 0.108 0.000 1.051 271 K CA 1.289 57.629 56.287 0.087 0.000 0.970 271 K CB -0.085 32.459 32.500 0.072 0.000 0.755 271 K HN 0.818 nan 8.250 nan 0.000 0.465 272 N N 0.432 119.232 118.700 0.166 0.000 2.320 272 N HA -0.018 4.722 4.740 -0.000 0.000 0.237 272 N C -0.813 174.817 175.510 0.200 0.000 1.129 272 N CA -0.288 52.870 53.050 0.180 0.000 0.854 272 N CB -0.258 38.356 38.487 0.211 0.000 1.083 272 N HN -0.053 nan 8.380 nan 0.000 0.504 273 N N 0.630 119.436 118.700 0.176 0.000 2.492 273 N HA 0.087 4.826 4.740 -0.000 0.000 0.262 273 N C -0.774 174.725 175.510 -0.018 0.000 1.202 273 N CA 0.596 53.695 53.050 0.082 0.000 0.926 273 N CB 0.938 39.501 38.487 0.126 0.000 1.078 273 N HN 0.180 nan 8.380 nan 0.000 0.454 274 T N 1.888 116.355 114.554 -0.145 0.000 2.912 274 T HA 0.485 4.835 4.350 -0.000 0.000 0.299 274 T C -1.963 172.676 174.700 -0.101 0.000 1.052 274 T CA -0.427 61.614 62.100 -0.099 0.000 0.996 274 T CB 0.281 69.068 68.868 -0.135 0.000 1.070 274 T HN 0.303 nan 8.240 nan 0.000 0.465 275 Y N 3.053 123.264 120.300 -0.150 0.000 2.330 275 Y HA 0.569 5.119 4.550 -0.000 0.000 0.324 275 Y C -0.429 175.384 175.900 -0.145 0.000 1.093 275 Y CA -0.777 57.216 58.100 -0.178 0.000 1.103 275 Y CB 1.756 40.099 38.460 -0.196 0.000 1.183 275 Y HN 0.789 nan 8.280 nan 0.000 0.433 276 S N 5.559 121.337 115.700 0.131 0.000 2.599 276 S HA 0.886 5.356 4.470 -0.000 0.000 0.287 276 S C -1.255 173.391 174.600 0.076 0.000 1.105 276 S CA -1.041 57.205 58.200 0.076 0.000 0.899 276 S CB 3.036 66.248 63.200 0.020 0.000 1.100 276 S HN 0.772 nan 8.310 nan 0.000 0.482 277 R N 1.123 121.651 120.500 0.047 0.000 2.651 277 R HA 0.498 4.838 4.340 -0.000 0.000 0.278 277 R C -1.957 174.371 176.300 0.047 0.000 1.010 277 R CA -0.488 55.640 56.100 0.046 0.000 0.896 277 R CB 1.633 31.946 30.300 0.022 0.000 1.211 277 R HN 0.829 nan 8.270 nan 0.000 0.456 278 N N 2.468 121.202 118.700 0.057 0.000 2.352 278 N HA 0.234 4.974 4.740 -0.000 0.000 0.291 278 N C -1.669 173.884 175.510 0.071 0.000 1.040 278 N CA -0.337 52.754 53.050 0.067 0.000 0.864 278 N CB 2.124 40.652 38.487 0.068 0.000 1.440 278 N HN 0.633 nan 8.380 nan 0.000 0.483 279 E N 2.223 122.473 120.200 0.082 0.000 2.224 279 E HA 0.412 4.762 4.350 -0.000 0.000 0.265 279 E C -1.095 175.556 176.600 0.085 0.000 0.878 279 E CA -0.595 55.852 56.400 0.078 0.000 0.759 279 E CB 2.213 31.980 29.700 0.112 0.000 1.164 279 E HN 0.317 nan 8.360 nan 0.000 0.414 280 K N 3.759 124.190 120.400 0.051 0.000 2.507 280 K HA 0.570 4.890 4.320 -0.000 0.000 0.251 280 K C -0.849 175.680 176.600 -0.119 0.000 0.943 280 K CA -0.573 55.724 56.287 0.017 0.000 0.794 280 K CB 1.805 34.479 32.500 0.290 0.000 1.188 280 K HN 0.492 nan 8.250 nan 0.000 0.428 281 M N 0.133 119.511 119.600 -0.370 0.000 2.365 281 M HA 0.573 5.053 4.480 -0.000 0.000 0.287 281 M C -1.050 175.118 176.300 -0.220 0.000 1.154 281 M CA -1.195 53.979 55.300 -0.209 0.000 0.941 281 M CB 1.905 34.396 32.600 -0.181 0.000 1.704 281 M HN 0.286 nan 8.290 nan 0.000 0.479 282 V N -0.444 119.495 119.914 0.042 0.000 2.789 282 V HA 1.111 5.231 4.120 -0.000 0.000 0.311 282 V C -0.259 175.935 176.094 0.168 0.000 1.073 282 V CA 0.396 62.781 62.300 0.141 0.000 0.921 282 V CB 1.102 33.192 31.823 0.445 0.000 1.009 282 V HN 1.299 nan 8.190 nan 0.000 0.426 283 G N 2.244 111.110 108.800 0.110 0.000 2.500 283 G HA2 0.752 4.712 3.960 -0.000 0.000 0.299 283 G HA3 0.752 4.712 3.960 -0.000 0.000 0.299 283 G C -1.561 173.451 174.900 0.186 0.000 1.242 283 G CA 0.085 45.236 45.100 0.085 0.000 0.859 283 G HN 2.205 nan 8.290 nan 0.000 0.481 284 Y N -2.062 118.270 120.300 0.053 0.000 2.717 284 Y HA 0.795 5.345 4.550 -0.000 0.000 0.345 284 Y C -0.862 175.015 175.900 -0.039 0.000 1.187 284 Y CA -0.999 57.065 58.100 -0.059 0.000 1.128 284 Y CB 1.037 39.389 38.460 -0.180 0.000 1.360 284 Y HN 0.973 nan 8.280 nan 0.000 0.467 285 S N 2.323 118.126 115.700 0.171 0.000 2.482 285 S HA 0.816 5.286 4.470 -0.000 0.000 0.303 285 S C -1.895 172.899 174.600 0.323 0.000 1.091 285 S CA -0.442 57.871 58.200 0.188 0.000 1.057 285 S CB 0.658 63.900 63.200 0.069 0.000 1.031 285 S HN 0.758 nan 8.310 nan 0.000 0.485 286 F N 4.400 124.484 119.950 0.224 0.000 2.578 286 F HA 0.620 5.147 4.527 -0.000 0.000 0.311 286 F C -1.659 174.241 175.800 0.166 0.000 1.094 286 F CA -0.832 57.309 58.000 0.237 0.000 0.923 286 F CB 1.761 40.997 39.000 0.392 0.000 1.230 286 F HN 0.668 nan 8.300 nan 0.000 0.450 287 D N 3.065 122.992 120.400 -0.788 0.000 2.859 287 D HA 0.259 4.899 4.640 -0.000 0.000 0.223 287 D C -1.880 173.898 176.300 -0.869 0.000 1.218 287 D CA -0.340 53.274 54.000 -0.644 0.000 0.850 287 D CB 2.140 42.781 40.800 -0.265 0.000 1.656 287 D HN 0.868 nan 8.370 nan 0.000 0.484 288 H N -0.057 118.555 119.070 -0.763 0.000 2.966 288 H HA 0.267 4.823 4.556 -0.000 0.000 0.347 288 H C -1.465 173.536 175.328 -0.544 0.000 1.048 288 H CA -0.588 55.065 56.048 -0.657 0.000 1.295 288 H CB 2.292 31.640 29.762 -0.689 0.000 1.744 288 H HN 0.425 nan 8.280 nan 0.000 0.513 289 E N 5.226 125.429 120.200 0.006 0.000 2.046 289 E HA 0.076 4.426 4.350 -0.000 0.000 0.279 289 E C -0.223 176.389 176.600 0.020 0.000 0.989 289 E CA -0.516 55.862 56.400 -0.035 0.000 0.798 289 E CB 0.552 30.253 29.700 0.001 0.000 1.086 289 E HN 0.539 nan 8.360 nan 0.000 0.399 290 F N 3.691 123.648 119.950 0.011 0.000 2.128 290 F HA -0.062 4.465 4.527 -0.000 0.000 0.295 290 F C 1.107 176.952 175.800 0.076 0.000 1.100 290 F CA 1.115 59.104 58.000 -0.018 0.000 1.260 290 F CB -0.204 38.778 39.000 -0.030 0.000 1.009 290 F HN 0.578 nan 8.300 nan 0.000 0.476 291 N N -2.891 115.967 118.700 0.263 0.000 3.622 291 N HA 0.052 4.792 4.740 -0.000 0.000 0.352 291 N C -0.154 175.407 175.510 0.085 0.000 1.559 291 N CA -0.183 52.956 53.050 0.147 0.000 0.801 291 N CB -0.100 38.461 38.487 0.124 0.000 2.399 291 N HN -0.253 nan 8.380 nan 0.000 0.545 292 D N -1.169 119.251 120.400 0.034 0.000 2.317 292 D HA -0.020 4.620 4.640 -0.000 0.000 0.211 292 D C 0.474 176.760 176.300 -0.023 0.000 0.966 292 D CA 1.355 55.357 54.000 0.005 0.000 0.876 292 D CB 0.149 40.944 40.800 -0.009 0.000 0.927 292 D HN 0.574 nan 8.370 nan 0.000 0.519 293 T N -1.118 113.387 114.554 -0.082 0.000 2.955 293 T HA 0.097 4.447 4.350 -0.000 0.000 0.251 293 T C -0.368 174.235 174.700 -0.162 0.000 1.002 293 T CA -0.205 61.775 62.100 -0.201 0.000 0.970 293 T CB 0.262 68.868 68.868 -0.436 0.000 1.091 293 T HN -0.199 nan 8.240 nan 0.000 0.495 294 F N 1.819 121.849 119.950 0.134 0.000 2.482 294 F HA 0.656 5.183 4.527 -0.000 0.000 0.331 294 F C 0.084 175.985 175.800 0.170 0.000 1.115 294 F CA -1.119 56.986 58.000 0.175 0.000 0.955 294 F CB 2.027 41.157 39.000 0.217 0.000 1.136 294 F HN -0.208 nan 8.300 nan 0.000 0.452 295 T N 2.857 117.612 114.554 0.334 0.000 2.921 295 T HA 0.520 4.870 4.350 -0.000 0.000 0.297 295 T C -1.397 173.346 174.700 0.071 0.000 1.013 295 T CA -0.619 61.540 62.100 0.098 0.000 0.990 295 T CB 2.027 70.925 68.868 0.049 0.000 1.023 295 T HN 0.429 nan 8.240 nan 0.000 0.447 296 V N 4.918 124.796 119.914 -0.060 0.000 2.540 296 V HA 0.866 4.986 4.120 -0.000 0.000 0.302 296 V C -1.039 175.044 176.094 -0.018 0.000 1.035 296 V CA -0.882 61.432 62.300 0.023 0.000 0.873 296 V CB 1.421 33.319 31.823 0.125 0.000 0.992 296 V HN 0.934 nan 8.190 nan 0.000 0.428 297 R N 4.965 125.504 120.500 0.065 0.000 2.574 297 R HA 0.677 5.017 4.340 -0.000 0.000 0.288 297 R C -1.231 175.196 176.300 0.211 0.000 1.004 297 R CA -0.777 55.373 56.100 0.084 0.000 0.895 297 R CB 2.011 32.330 30.300 0.032 0.000 1.191 297 R HN 0.703 nan 8.270 nan 0.000 0.444 298 Q N 2.580 122.595 119.800 0.358 0.000 2.353 298 Q HA 0.369 4.709 4.340 -0.000 0.000 0.268 298 Q C -1.365 174.829 176.000 0.324 0.000 1.045 298 Q CA -0.932 55.089 55.803 0.363 0.000 0.811 298 Q CB 2.086 31.107 28.738 0.471 0.000 1.305 298 Q HN 0.668 nan 8.270 nan 0.000 0.447 299 N N 4.054 122.851 118.700 0.160 0.000 2.407 299 N HA 0.469 5.209 4.740 -0.000 0.000 0.277 299 N C -1.439 173.987 175.510 -0.140 0.000 0.995 299 N CA -0.265 52.796 53.050 0.019 0.000 0.903 299 N CB 1.798 40.303 38.487 0.031 0.000 1.218 299 N HN 0.606 nan 8.380 nan 0.000 0.487 300 L N 1.704 122.675 121.223 -0.421 0.000 2.401 300 L HA 0.688 5.027 4.340 -0.000 0.000 0.266 300 L C -1.028 175.595 176.870 -0.413 0.000 0.991 300 L CA -0.685 53.864 54.840 -0.484 0.000 0.818 300 L CB 2.384 44.094 42.059 -0.581 0.000 1.321 300 L HN 0.528 nan 8.230 nan 0.000 0.413 301 R N 3.255 123.570 120.500 -0.308 0.000 2.629 301 R HA 0.500 4.840 4.340 -0.000 0.000 0.266 301 R C -2.368 173.934 176.300 0.003 0.000 1.051 301 R CA -0.555 55.462 56.100 -0.137 0.000 0.895 301 R CB 1.919 32.117 30.300 -0.170 0.000 1.246 301 R HN 0.589 nan 8.270 nan 0.000 0.459 302 F N 2.294 122.262 119.950 0.030 0.000 2.556 302 F HA 0.822 5.349 4.527 -0.000 0.000 0.314 302 F C -1.548 174.294 175.800 0.069 0.000 1.106 302 F CA -0.255 57.831 58.000 0.144 0.000 0.911 302 F CB 2.316 41.488 39.000 0.287 0.000 1.190 302 F HN 0.700 nan 8.300 nan 0.000 0.448 303 A N 4.378 126.632 122.820 -0.943 0.000 2.475 303 A HA 0.660 4.980 4.320 -0.000 0.000 0.301 303 A C -1.615 175.544 177.584 -0.709 0.000 1.059 303 A CA -0.682 50.994 52.037 -0.602 0.000 0.710 303 A CB 1.673 20.483 19.000 -0.316 0.000 1.288 303 A HN 0.793 nan 8.150 nan 0.000 0.408 304 E N 1.862 121.890 120.200 -0.287 0.000 2.220 304 E HA 0.432 4.782 4.350 -0.000 0.000 0.256 304 E C -1.378 175.206 176.600 -0.026 0.000 0.881 304 E CA -0.605 55.728 56.400 -0.111 0.000 0.766 304 E CB 0.729 30.477 29.700 0.080 0.000 1.187 304 E HN 0.652 nan 8.360 nan 0.000 0.419 305 N N 3.695 122.379 118.700 -0.027 0.000 2.269 305 N HA 0.447 5.186 4.740 -0.000 0.000 0.304 305 N C -1.111 174.423 175.510 0.040 0.000 1.072 305 N CA -0.687 52.371 53.050 0.014 0.000 0.802 305 N CB 1.996 40.484 38.487 0.001 0.000 1.348 305 N HN 0.385 nan 8.380 nan 0.000 0.484 306 K N -0.165 120.268 120.400 0.056 0.000 2.395 306 K HA 0.682 5.002 4.320 -0.000 0.000 0.247 306 K C -0.825 175.815 176.600 0.067 0.000 0.973 306 K CA -0.726 55.598 56.287 0.062 0.000 0.828 306 K CB 2.430 34.963 32.500 0.055 0.000 1.272 306 K HN 0.402 nan 8.250 nan 0.000 0.439 307 T N 0.013 114.606 114.554 0.065 0.000 3.012 307 T HA 0.492 4.841 4.350 -0.000 0.000 0.330 307 T C -1.650 173.041 174.700 -0.016 0.000 1.321 307 T CA -0.485 61.645 62.100 0.050 0.000 1.067 307 T CB 1.290 70.226 68.868 0.113 0.000 1.235 307 T HN 0.464 nan 8.240 nan 0.000 0.479 308 S N 2.518 118.160 115.700 -0.095 0.000 2.564 308 S HA 0.837 5.307 4.470 -0.000 0.000 0.274 308 S C -1.562 172.815 174.600 -0.371 0.000 1.124 308 S CA -0.906 57.187 58.200 -0.178 0.000 0.869 308 S CB 2.019 65.152 63.200 -0.111 0.000 1.105 308 S HN 0.950 nan 8.310 nan 0.000 0.472 309 Q N 0.663 120.188 119.800 -0.459 0.000 2.594 309 Q HA 0.471 4.811 4.340 -0.000 0.000 0.278 309 Q C -2.160 173.513 176.000 -0.546 0.000 0.961 309 Q CA -0.907 54.520 55.803 -0.627 0.000 0.844 309 Q CB 1.163 29.174 28.738 -1.212 0.000 1.475 309 Q HN 0.617 nan 8.270 nan 0.000 0.389 310 N N 0.663 118.985 118.700 -0.629 0.000 2.576 310 N HA 0.449 5.189 4.740 -0.000 0.000 0.269 310 N C -1.770 173.253 175.510 -0.811 0.000 1.058 310 N CA -0.371 52.040 53.050 -1.066 0.000 0.860 310 N CB 1.967 39.539 38.487 -1.526 0.000 1.249 310 N HN 0.473 nan 8.380 nan 0.000 0.525 311 S N 1.275 116.790 115.700 -0.309 0.000 2.647 311 S HA 0.323 4.793 4.470 -0.000 0.000 0.300 311 S C -0.380 174.417 174.600 0.329 0.000 1.129 311 S CA -0.548 57.675 58.200 0.038 0.000 1.029 311 S CB 2.039 65.195 63.200 -0.073 0.000 1.007 311 S HN 0.118 nan 8.310 nan 0.000 0.484 312 V N 5.296 125.386 119.914 0.294 0.000 2.383 312 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 312 V C -0.821 175.376 176.094 0.171 0.000 1.036 312 V CA -0.319 62.047 62.300 0.110 0.000 0.889 312 V CB 0.170 31.899 31.823 -0.157 0.000 0.985 312 V HN 0.821 nan 8.190 nan 0.000 0.459 313 Y N 3.037 123.321 120.300 -0.028 0.000 2.570 313 Y HA 0.889 5.438 4.550 -0.000 0.000 0.345 313 Y C 0.355 176.300 175.900 0.074 0.000 1.014 313 Y CA -1.598 56.484 58.100 -0.031 0.000 1.063 313 Y CB 1.118 39.444 38.460 -0.223 0.000 1.272 313 Y HN 0.630 nan 8.280 nan 0.000 0.477 314 G N 0.590 109.532 108.800 0.237 0.000 2.483 314 G HA2 0.265 4.225 3.960 -0.000 0.000 0.248 314 G HA3 0.265 4.225 3.960 -0.000 0.000 0.248 314 G C -1.692 173.456 174.900 0.413 0.000 1.248 314 G CA -0.283 44.975 45.100 0.262 0.000 0.838 314 G HN 0.780 nan 8.290 nan 0.000 0.566 315 Y N 1.169 121.546 120.300 0.129 0.000 2.614 315 Y HA 0.436 4.986 4.550 -0.000 0.000 0.296 315 Y C 0.826 176.778 175.900 0.086 0.000 0.942 315 Y CA 0.239 58.421 58.100 0.138 0.000 1.111 315 Y CB 0.271 38.690 38.460 -0.069 0.000 1.182 315 Y HN 1.288 nan 8.280 nan 0.000 0.624 316 G N 0.440 109.299 108.800 0.100 0.000 2.846 316 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.660 316 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.660 316 G C -0.401 174.519 174.900 0.032 0.000 1.464 316 G CA -0.576 44.542 45.100 0.030 0.000 0.891 316 G HN 0.934 nan 8.290 nan 0.000 0.552 317 V N -1.733 118.180 119.914 -0.001 0.000 3.185 317 V HA 0.377 4.497 4.120 -0.000 0.000 0.305 317 V C 1.950 178.041 176.094 -0.005 0.000 1.090 317 V CA 0.211 62.514 62.300 0.005 0.000 1.107 317 V CB 0.739 32.550 31.823 -0.019 0.000 1.061 317 V HN 1.336 nan 8.190 nan 0.000 0.480 318 c N 1.766 120.368 118.600 0.003 0.000 2.409 318 c HA -0.084 4.486 4.570 -0.000 0.000 0.284 318 c C 2.837 176.901 174.090 -0.043 0.000 1.354 318 c CA 1.592 57.910 56.329 -0.019 0.000 1.787 318 c CB -1.610 40.878 42.510 -0.037 0.000 1.900 318 c HN 1.149 nan 8.230 nan 0.000 0.520 319 S N -0.737 114.935 115.700 -0.046 0.000 2.593 319 S HA -0.005 4.465 4.470 -0.000 0.000 0.217 319 S C 0.157 174.717 174.600 -0.066 0.000 0.966 319 S CA 0.116 58.283 58.200 -0.054 0.000 0.914 319 S CB -0.378 62.794 63.200 -0.047 0.000 0.776 319 S HN 0.650 nan 8.310 nan 0.000 0.523 320 D N 2.336 122.695 120.400 -0.068 0.000 2.308 320 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 320 D C -1.722 174.528 176.300 -0.083 0.000 1.127 320 D CA -2.033 51.919 54.000 -0.079 0.000 0.876 320 D CB 1.770 42.524 40.800 -0.076 0.000 1.176 320 D HN -0.045 nan 8.370 nan 0.000 0.446 321 P HA -0.184 nan 4.420 nan 0.000 0.218 321 P C 0.808 178.038 177.300 -0.116 0.000 1.152 321 P CA 1.641 64.682 63.100 -0.097 0.000 0.857 321 P CB 0.133 31.792 31.700 -0.068 0.000 0.787 322 A N -1.297 121.469 122.820 -0.090 0.000 2.225 322 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 322 A C 1.457 179.037 177.584 -0.007 0.000 1.164 322 A CA 1.251 53.241 52.037 -0.078 0.000 0.710 322 A CB -0.827 18.004 19.000 -0.282 0.000 0.780 322 A HN 0.193 nan 8.150 nan 0.000 0.473 323 N N -0.950 117.719 118.700 -0.051 0.000 2.291 323 N HA 0.279 5.019 4.740 -0.000 0.000 0.244 323 N C 1.281 176.741 175.510 -0.084 0.000 1.216 323 N CA 0.681 53.722 53.050 -0.015 0.000 0.879 323 N CB 0.526 39.021 38.487 0.013 0.000 1.167 323 N HN 0.348 nan 8.380 nan 0.000 0.515 324 A N 0.430 123.122 122.820 -0.214 0.000 1.892 324 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 324 A C 1.061 178.515 177.584 -0.217 0.000 1.188 324 A CA 1.390 53.242 52.037 -0.308 0.000 0.631 324 A CB -0.748 17.908 19.000 -0.575 0.000 0.822 324 A HN 0.279 nan 8.150 nan 0.000 0.447 325 Y N 0.420 120.723 120.300 0.005 0.000 2.502 325 Y HA 0.249 4.799 4.550 -0.000 0.000 0.295 325 Y C 1.397 177.300 175.900 0.004 0.000 1.193 325 Y CA -0.129 57.973 58.100 0.004 0.000 1.295 325 Y CB -0.749 37.714 38.460 0.005 0.000 1.059 325 Y HN 0.186 nan 8.280 nan 0.000 0.514 326 S N 0.904 116.664 115.700 0.100 0.000 2.448 326 S HA 0.121 4.591 4.470 -0.000 0.000 0.279 326 S C 1.180 175.805 174.600 0.041 0.000 1.195 326 S CA -0.590 57.648 58.200 0.065 0.000 1.051 326 S CB 0.561 63.782 63.200 0.036 0.000 0.948 326 S HN 0.425 nan 8.310 nan 0.000 0.493 327 K N 3.725 124.151 120.400 0.044 0.000 1.985 327 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 327 K C 2.193 178.791 176.600 -0.003 0.000 1.047 327 K CA 1.809 58.111 56.287 0.025 0.000 0.932 327 K CB -0.232 32.286 32.500 0.029 0.000 0.716 327 K HN 0.698 nan 8.250 nan 0.000 0.439 328 Q N 0.095 119.893 119.800 -0.005 0.000 2.248 328 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 328 Q C 2.208 178.165 176.000 -0.072 0.000 0.984 328 Q CA 1.308 57.092 55.803 -0.033 0.000 0.875 328 Q CB -0.239 28.489 28.738 -0.017 0.000 0.910 328 Q HN 0.387 nan 8.270 nan 0.000 0.433 329 c N -0.629 117.939 118.600 -0.053 0.000 2.505 329 c HA 0.080 4.650 4.570 -0.000 0.000 0.279 329 c C 2.791 176.830 174.090 -0.084 0.000 1.316 329 c CA 0.500 56.782 56.329 -0.078 0.000 1.720 329 c CB -0.850 41.634 42.510 -0.043 0.000 2.050 329 c HN 0.637 nan 8.230 nan 0.000 0.493 330 A N 0.419 123.209 122.820 -0.050 0.000 1.972 330 A HA 0.146 4.465 4.320 -0.000 0.000 0.219 330 A C 2.006 179.556 177.584 -0.056 0.000 1.169 330 A CA 1.622 53.634 52.037 -0.043 0.000 0.635 330 A CB -0.620 18.372 19.000 -0.014 0.000 0.810 330 A HN 0.584 nan 8.150 nan 0.000 0.446 331 A N -0.679 122.102 122.820 -0.065 0.000 2.223 331 A HA 0.501 4.821 4.320 -0.000 0.000 0.222 331 A C 0.416 177.932 177.584 -0.114 0.000 1.317 331 A CA 0.130 52.124 52.037 -0.072 0.000 0.985 331 A CB -0.670 18.293 19.000 -0.061 0.000 0.858 331 A HN 0.422 nan 8.150 nan 0.000 0.496 332 L N -1.426 119.716 121.223 -0.134 0.000 2.333 332 L HA 0.658 4.997 4.340 -0.000 0.000 0.263 332 L C 0.477 177.281 176.870 -0.110 0.000 1.014 332 L CA -1.085 53.646 54.840 -0.182 0.000 0.820 332 L CB 1.857 43.732 42.059 -0.306 0.000 1.352 332 L HN 0.133 nan 8.230 nan 0.000 0.421 333 A N 1.695 124.464 122.820 -0.086 0.000 2.492 333 A HA 0.310 4.630 4.320 -0.000 0.000 0.254 333 A C -1.733 175.832 177.584 -0.031 0.000 1.091 333 A CA -0.978 51.039 52.037 -0.033 0.000 0.768 333 A CB -0.095 18.909 19.000 0.006 0.000 1.028 333 A HN 0.615 nan 8.150 nan 0.000 0.498 334 P HA -0.309 nan 4.420 nan 0.000 0.221 334 P C 1.408 178.706 177.300 -0.003 0.000 1.153 334 P CA 2.614 65.704 63.100 -0.017 0.000 0.858 334 P CB 0.227 31.923 31.700 -0.007 0.000 0.783 335 A N -1.426 121.408 122.820 0.024 0.000 2.169 335 A HA -0.092 4.227 4.320 -0.000 0.000 0.212 335 A C 1.640 179.275 177.584 0.086 0.000 1.153 335 A CA 1.290 53.365 52.037 0.062 0.000 0.756 335 A CB -0.658 18.395 19.000 0.088 0.000 0.813 335 A HN 0.087 nan 8.150 nan 0.000 0.471 336 D N -0.056 120.354 120.400 0.017 0.000 2.305 336 D HA 0.004 4.644 4.640 -0.000 0.000 0.206 336 D C 1.603 177.773 176.300 -0.216 0.000 0.974 336 D CA 0.605 54.525 54.000 -0.133 0.000 0.871 336 D CB -0.151 40.602 40.800 -0.078 0.000 0.947 336 D HN 0.419 nan 8.370 nan 0.000 0.516 337 K N 0.511 120.844 120.400 -0.112 0.000 2.160 337 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 337 K C 1.863 178.423 176.600 -0.067 0.000 1.047 337 K CA 1.300 57.533 56.287 -0.090 0.000 0.930 337 K CB -0.193 32.267 32.500 -0.067 0.000 0.720 337 K HN 0.094 nan 8.250 nan 0.000 0.450 338 G N 0.691 109.460 108.800 -0.052 0.000 2.920 338 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.208 338 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.208 338 G C 0.664 175.568 174.900 0.007 0.000 1.159 338 G CA 0.125 45.216 45.100 -0.015 0.000 0.784 338 G HN 0.553 nan 8.290 nan 0.000 0.535 339 H N -2.929 116.087 119.070 -0.090 0.000 2.885 339 H HA 0.296 4.852 4.556 -0.000 0.000 0.254 339 H C -1.189 173.903 175.328 -0.394 0.000 1.185 339 H CA -0.607 55.265 56.048 -0.293 0.000 1.029 339 H CB 0.086 29.445 29.762 -0.670 0.000 1.743 339 H HN 0.177 nan 8.280 nan 0.000 0.632 340 Y N 1.146 121.282 120.300 -0.272 0.000 2.429 340 Y HA 0.405 4.955 4.550 -0.000 0.000 0.342 340 Y C -0.655 175.203 175.900 -0.070 0.000 1.004 340 Y CA -1.168 56.828 58.100 -0.175 0.000 1.075 340 Y CB 2.428 40.748 38.460 -0.233 0.000 1.214 340 Y HN 0.132 nan 8.280 nan 0.000 0.455 341 L N 3.315 124.624 121.223 0.142 0.000 2.296 341 L HA 0.811 5.151 4.340 -0.000 0.000 0.286 341 L C -0.356 176.587 176.870 0.122 0.000 1.023 341 L CA -0.528 54.386 54.840 0.124 0.000 0.812 341 L CB 0.801 42.951 42.059 0.151 0.000 1.223 341 L HN 0.695 nan 8.230 nan 0.000 0.421 342 A N 5.795 128.676 122.820 0.102 0.000 2.354 342 A HA 0.769 5.088 4.320 -0.000 0.000 0.269 342 A C -0.094 177.539 177.584 0.082 0.000 1.109 342 A CA -0.320 51.770 52.037 0.087 0.000 0.800 342 A CB 0.294 19.357 19.000 0.104 0.000 1.045 342 A HN 0.812 nan 8.150 nan 0.000 0.489 343 R N 1.046 121.549 120.500 0.005 0.000 2.771 343 R HA 0.593 4.932 4.340 -0.000 0.000 0.274 343 R C -0.648 175.513 176.300 -0.232 0.000 0.987 343 R CA -0.681 55.360 56.100 -0.099 0.000 0.908 343 R CB 2.537 32.791 30.300 -0.077 0.000 1.213 343 R HN 0.837 nan 8.270 nan 0.000 0.468 344 K N 0.513 120.618 120.400 -0.491 0.000 2.126 344 K HA 0.541 4.861 4.320 -0.000 0.000 0.245 344 K C -1.484 174.909 176.600 -0.344 0.000 1.068 344 K CA -0.923 55.054 56.287 -0.518 0.000 0.877 344 K CB 1.764 33.820 32.500 -0.741 0.000 1.406 344 K HN 0.515 nan 8.250 nan 0.000 0.490 345 Y N -2.761 117.474 120.300 -0.109 0.000 2.677 345 Y HA 0.689 5.239 4.550 -0.000 0.000 0.334 345 Y C -1.941 174.097 175.900 0.230 0.000 1.196 345 Y CA -1.171 57.008 58.100 0.131 0.000 1.059 345 Y CB 0.932 39.349 38.460 -0.072 0.000 1.315 345 Y HN 0.278 nan 8.280 nan 0.000 0.455 346 V N 1.953 122.152 119.914 0.476 0.000 3.012 346 V HA 0.807 4.926 4.120 -0.000 0.000 0.307 346 V C -1.965 174.151 176.094 0.037 0.000 1.166 346 V CA -0.710 61.598 62.300 0.013 0.000 0.974 346 V CB 2.172 33.688 31.823 -0.512 0.000 1.040 346 V HN 0.895 nan 8.190 nan 0.000 0.428 347 V N 5.089 125.002 119.914 -0.002 0.000 2.444 347 V HA 0.620 4.740 4.120 -0.000 0.000 0.294 347 V C -0.820 175.222 176.094 -0.086 0.000 1.022 347 V CA -0.313 61.961 62.300 -0.043 0.000 0.850 347 V CB 1.776 33.668 31.823 0.115 0.000 0.992 347 V HN 1.023 nan 8.190 nan 0.000 0.426 348 D N 2.926 123.228 120.400 -0.163 0.000 2.601 348 D HA 0.563 5.203 4.640 -0.000 0.000 0.230 348 D C -1.550 174.724 176.300 -0.044 0.000 1.106 348 D CA -0.306 53.656 54.000 -0.063 0.000 0.873 348 D CB 2.245 42.965 40.800 -0.133 0.000 1.515 348 D HN 0.589 nan 8.370 nan 0.000 0.468 349 D N 2.147 122.579 120.400 0.054 0.000 2.861 349 D HA 0.229 4.869 4.640 -0.000 0.000 0.216 349 D C -1.321 175.034 176.300 0.092 0.000 1.323 349 D CA -0.282 53.743 54.000 0.043 0.000 0.917 349 D CB 1.220 42.041 40.800 0.036 0.000 1.582 349 D HN 0.483 nan 8.370 nan 0.000 0.576 350 E N 2.065 122.319 120.200 0.090 0.000 2.383 350 E HA 0.465 4.815 4.350 -0.000 0.000 0.275 350 E C -1.033 175.616 176.600 0.081 0.000 0.918 350 E CA -0.988 55.477 56.400 0.109 0.000 0.764 350 E CB 3.217 33.022 29.700 0.175 0.000 1.252 350 E HN 0.185 nan 8.360 nan 0.000 0.449 351 K N 2.274 122.717 120.400 0.072 0.000 2.553 351 K HA 0.404 4.724 4.320 -0.000 0.000 0.250 351 K C -1.927 174.705 176.600 0.053 0.000 0.953 351 K CA -0.654 55.670 56.287 0.061 0.000 0.800 351 K CB 1.131 33.666 32.500 0.058 0.000 1.243 351 K HN 0.409 nan 8.250 nan 0.000 0.435 352 L N 1.227 122.473 121.223 0.039 0.000 2.393 352 L HA 0.606 4.946 4.340 -0.000 0.000 0.260 352 L C -1.514 175.343 176.870 -0.022 0.000 1.002 352 L CA -0.408 54.443 54.840 0.018 0.000 0.818 352 L CB 2.096 44.161 42.059 0.011 0.000 1.369 352 L HN 0.545 nan 8.230 nan 0.000 0.412 353 Q N 1.886 121.674 119.800 -0.021 0.000 2.365 353 Q HA 0.477 4.817 4.340 -0.000 0.000 0.269 353 Q C -1.561 174.364 176.000 -0.124 0.000 1.061 353 Q CA -0.460 55.278 55.803 -0.110 0.000 0.816 353 Q CB 2.379 31.203 28.738 0.143 0.000 1.325 353 Q HN 0.905 nan 8.270 nan 0.000 0.446 354 N N 2.007 120.514 118.700 -0.321 0.000 2.430 354 N HA 0.475 5.215 4.740 -0.000 0.000 0.290 354 N C -1.906 173.547 175.510 -0.096 0.000 1.063 354 N CA -0.308 52.643 53.050 -0.165 0.000 0.883 354 N CB 1.325 39.693 38.487 -0.198 0.000 1.465 354 N HN 0.458 nan 8.380 nan 0.000 0.493 355 F N 2.562 122.511 119.950 -0.002 0.000 2.508 355 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 355 F C -1.017 174.803 175.800 0.034 0.000 1.090 355 F CA -0.161 57.933 58.000 0.157 0.000 0.945 355 F CB 1.807 41.017 39.000 0.351 0.000 1.156 355 F HN 0.259 nan 8.300 nan 0.000 0.463 356 S N 3.638 118.747 115.700 -0.985 0.000 2.546 356 S HA 0.756 5.225 4.470 -0.000 0.000 0.272 356 S C -1.567 172.608 174.600 -0.708 0.000 1.140 356 S CA -0.774 57.017 58.200 -0.681 0.000 0.920 356 S CB 1.785 64.772 63.200 -0.355 0.000 1.083 356 S HN 0.700 nan 8.310 nan 0.000 0.476 357 V N 0.136 119.873 119.914 -0.295 0.000 2.777 357 V HA 0.784 4.904 4.120 -0.000 0.000 0.306 357 V C -1.664 174.486 176.094 0.093 0.000 1.112 357 V CA -0.719 61.539 62.300 -0.069 0.000 0.917 357 V CB 1.969 33.869 31.823 0.128 0.000 1.018 357 V HN 0.822 nan 8.190 nan 0.000 0.426 358 D N 2.098 122.560 120.400 0.103 0.000 2.696 358 D HA 0.693 5.333 4.640 -0.000 0.000 0.251 358 D C -0.750 175.661 176.300 0.185 0.000 1.188 358 D CA 0.057 54.159 54.000 0.171 0.000 0.876 358 D CB 2.399 43.289 40.800 0.150 0.000 1.334 358 D HN 0.728 nan 8.370 nan 0.000 0.540 359 T N 3.769 118.442 114.554 0.198 0.000 2.824 359 T HA 0.590 4.940 4.350 -0.000 0.000 0.282 359 T C -0.809 173.967 174.700 0.127 0.000 0.993 359 T CA -0.873 61.334 62.100 0.178 0.000 0.967 359 T CB 1.419 70.391 68.868 0.173 0.000 0.960 359 T HN 0.410 nan 8.240 nan 0.000 0.441 360 Q N 1.937 121.806 119.800 0.116 0.000 2.359 360 Q HA 0.748 5.088 4.340 -0.000 0.000 0.274 360 Q C -1.646 174.390 176.000 0.060 0.000 1.074 360 Q CA -1.245 54.592 55.803 0.055 0.000 0.810 360 Q CB 2.352 31.144 28.738 0.091 0.000 1.342 360 Q HN 0.457 nan 8.270 nan 0.000 0.427 361 L N 1.626 122.865 121.223 0.026 0.000 2.313 361 L HA 0.394 4.733 4.340 -0.000 0.000 0.283 361 L C -0.965 175.955 176.870 0.083 0.000 1.013 361 L CA -0.108 54.761 54.840 0.048 0.000 0.816 361 L CB 1.883 43.934 42.059 -0.013 0.000 1.236 361 L HN 0.797 nan 8.230 nan 0.000 0.419 362 Q N 3.199 123.080 119.800 0.135 0.000 2.307 362 Q HA 0.561 4.901 4.340 -0.000 0.000 0.262 362 Q C -1.356 174.805 176.000 0.268 0.000 0.961 362 Q CA -0.448 55.444 55.803 0.148 0.000 0.882 362 Q CB 1.360 30.157 28.738 0.098 0.000 1.264 362 Q HN 0.777 nan 8.270 nan 0.000 0.446 363 S N 4.209 120.063 115.700 0.256 0.000 2.640 363 S HA 0.392 4.861 4.470 -0.000 0.000 0.320 363 S C -0.973 173.689 174.600 0.104 0.000 1.097 363 S CA -0.834 57.572 58.200 0.342 0.000 1.092 363 S CB 0.923 64.461 63.200 0.563 0.000 0.988 363 S HN 0.434 nan 8.310 nan 0.000 0.470 364 K N 3.157 123.589 120.400 0.054 0.000 2.172 364 K HA 0.668 4.987 4.320 -0.000 0.000 0.276 364 K C -0.663 175.953 176.600 0.027 0.000 1.013 364 K CA -0.349 55.906 56.287 -0.054 0.000 0.913 364 K CB 0.965 33.453 32.500 -0.020 0.000 1.055 364 K HN 0.674 nan 8.250 nan 0.000 0.461 365 F N -1.468 118.472 119.950 -0.016 0.000 2.765 365 F HA 0.537 5.064 4.527 -0.000 0.000 0.313 365 F C -1.644 174.085 175.800 -0.118 0.000 1.136 365 F CA -1.448 56.510 58.000 -0.070 0.000 0.952 365 F CB 0.394 39.346 39.000 -0.079 0.000 1.268 365 F HN 0.437 nan 8.300 nan 0.000 0.441 366 A N 0.627 123.547 122.820 0.168 0.000 2.281 366 A HA 0.858 5.178 4.320 -0.000 0.000 0.329 366 A C -0.529 177.046 177.584 -0.015 0.000 1.122 366 A CA -0.677 51.355 52.037 -0.008 0.000 0.850 366 A CB 1.183 20.182 19.000 -0.000 0.000 1.207 366 A HN 0.930 nan 8.150 nan 0.000 0.495 367 T N 0.992 115.462 114.554 -0.140 0.000 3.296 367 T HA 0.504 4.853 4.350 -0.000 0.000 0.333 367 T C 0.255 174.975 174.700 0.034 0.000 1.280 367 T CA 0.428 62.491 62.100 -0.062 0.000 1.558 367 T CB 0.070 68.883 68.868 -0.092 0.000 0.929 367 T HN 2.116 nan 8.240 nan 0.000 0.596 368 G N 3.333 112.160 108.800 0.045 0.000 2.296 368 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.263 368 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.263 368 G C 0.229 175.219 174.900 0.150 0.000 0.887 368 G CA 0.341 45.490 45.100 0.082 0.000 1.318 368 G HN 0.780 nan 8.290 nan 0.000 0.403 369 D N -1.669 118.803 120.400 0.120 0.000 3.028 369 D HA -0.206 4.433 4.640 -0.000 0.000 0.207 369 D C 0.700 177.160 176.300 0.266 0.000 1.100 369 D CA 1.727 55.812 54.000 0.141 0.000 0.995 369 D CB -1.041 39.859 40.800 0.166 0.000 1.108 369 D HN 0.833 nan 8.370 nan 0.000 0.421 370 I N 1.502 122.219 120.570 0.245 0.000 2.495 370 I HA 0.161 4.330 4.170 -0.000 0.000 0.277 370 I C -0.020 176.162 176.117 0.108 0.000 1.045 370 I CA -0.630 60.859 61.300 0.315 0.000 1.135 370 I CB 1.428 39.675 38.000 0.410 0.000 1.241 370 I HN -0.289 nan 8.210 nan 0.000 0.469 371 D N 5.474 125.955 120.400 0.134 0.000 2.351 371 D HA 0.245 4.885 4.640 -0.000 0.000 0.251 371 D C -0.218 176.183 176.300 0.168 0.000 1.137 371 D CA 0.306 54.332 54.000 0.044 0.000 0.879 371 D CB 0.931 41.747 40.800 0.026 0.000 1.181 371 D HN 0.524 nan 8.370 nan 0.000 0.448 372 H N 0.167 119.098 119.070 -0.232 0.000 2.495 372 H HA 0.370 4.925 4.556 -0.000 0.000 0.348 372 H C -0.359 174.677 175.328 -0.487 0.000 1.113 372 H CA -0.748 55.052 56.048 -0.414 0.000 1.195 372 H CB 1.707 31.028 29.762 -0.734 0.000 1.521 372 H HN 0.096 nan 8.280 nan 0.000 0.509 373 T N 3.914 118.363 114.554 -0.174 0.000 3.060 373 T HA 0.120 4.470 4.350 -0.000 0.000 0.367 373 T C -0.523 174.115 174.700 -0.104 0.000 1.229 373 T CA -0.607 61.412 62.100 -0.135 0.000 1.104 373 T CB 0.072 68.903 68.868 -0.062 0.000 1.083 373 T HN 0.173 nan 8.240 nan 0.000 0.524 374 L N 5.021 126.178 121.223 -0.110 0.000 2.260 374 L HA 0.620 4.960 4.340 -0.000 0.000 0.289 374 L C -0.810 176.099 176.870 0.065 0.000 1.057 374 L CA -0.684 54.161 54.840 0.009 0.000 0.811 374 L CB 0.467 42.602 42.059 0.127 0.000 1.184 374 L HN 0.459 nan 8.230 nan 0.000 0.429 375 L N 5.770 127.023 121.223 0.051 0.000 2.296 375 L HA 0.740 5.080 4.340 -0.000 0.000 0.286 375 L C -0.378 176.492 176.870 -0.000 0.000 1.023 375 L CA 0.221 55.089 54.840 0.046 0.000 0.812 375 L CB 1.504 43.603 42.059 0.066 0.000 1.223 375 L HN 0.816 nan 8.230 nan 0.000 0.421 376 T N 1.662 116.179 114.554 -0.061 0.000 2.928 376 T HA 0.922 5.272 4.350 -0.000 0.000 0.296 376 T C -0.341 174.179 174.700 -0.300 0.000 1.000 376 T CA -0.195 61.804 62.100 -0.169 0.000 0.989 376 T CB 1.371 70.209 68.868 -0.052 0.000 1.005 376 T HN 0.967 nan 8.240 nan 0.000 0.442 377 G N 0.990 109.388 108.800 -0.671 0.000 2.649 377 G HA2 0.705 4.665 3.960 -0.000 0.000 0.290 377 G HA3 0.705 4.665 3.960 -0.000 0.000 0.290 377 G C -1.135 173.480 174.900 -0.476 0.000 1.426 377 G CA -0.344 44.424 45.100 -0.552 0.000 0.794 377 G HN 1.648 nan 8.290 nan 0.000 0.483 378 V N -1.445 118.446 119.914 -0.038 0.000 2.540 378 V HA 0.784 4.904 4.120 -0.000 0.000 0.302 378 V C -1.403 174.887 176.094 0.327 0.000 1.035 378 V CA -0.941 61.467 62.300 0.180 0.000 0.873 378 V CB 1.675 33.586 31.823 0.147 0.000 0.992 378 V HN 0.689 nan 8.190 nan 0.000 0.428 379 D N 3.366 124.019 120.400 0.421 0.000 2.375 379 D HA 0.677 5.317 4.640 -0.000 0.000 0.247 379 D C -1.386 175.133 176.300 0.366 0.000 1.061 379 D CA -0.246 53.964 54.000 0.350 0.000 0.834 379 D CB 1.869 42.834 40.800 0.276 0.000 1.247 379 D HN 0.637 nan 8.370 nan 0.000 0.489 380 F N 3.824 123.865 119.950 0.151 0.000 2.578 380 F HA 0.699 5.226 4.527 -0.000 0.000 0.311 380 F C -1.683 174.177 175.800 0.100 0.000 1.094 380 F CA -0.819 57.272 58.000 0.152 0.000 0.923 380 F CB 1.454 40.563 39.000 0.182 0.000 1.230 380 F HN 0.395 nan 8.300 nan 0.000 0.450 381 M N 4.712 123.641 119.600 -1.118 0.000 2.534 381 M HA 0.658 5.138 4.480 -0.000 0.000 0.280 381 M C -2.120 173.687 176.300 -0.822 0.000 1.217 381 M CA -0.614 54.214 55.300 -0.786 0.000 0.893 381 M CB 2.459 34.854 32.600 -0.342 0.000 1.730 381 M HN 0.578 nan 8.290 nan 0.000 0.483 382 R N 2.244 122.533 120.500 -0.352 0.000 2.564 382 R HA 0.883 5.223 4.340 -0.000 0.000 0.284 382 R C -1.680 174.615 176.300 -0.009 0.000 1.031 382 R CA -0.870 55.166 56.100 -0.107 0.000 0.904 382 R CB 2.051 32.410 30.300 0.099 0.000 1.199 382 R HN 0.885 nan 8.270 nan 0.000 0.443 383 M N 3.021 122.616 119.600 -0.009 0.000 2.395 383 M HA 0.499 4.979 4.480 -0.000 0.000 0.307 383 M C -1.574 174.739 176.300 0.021 0.000 1.091 383 M CA -0.712 54.584 55.300 -0.007 0.000 0.919 383 M CB 2.335 34.910 32.600 -0.043 0.000 1.662 383 M HN 0.948 nan 8.290 nan 0.000 0.440 384 R N 3.389 123.905 120.500 0.027 0.000 2.538 384 R HA 0.536 4.875 4.340 -0.000 0.000 0.292 384 R C -1.954 174.362 176.300 0.026 0.000 1.008 384 R CA -0.407 55.715 56.100 0.035 0.000 0.896 384 R CB 1.315 31.652 30.300 0.061 0.000 1.187 384 R HN 0.792 nan 8.270 nan 0.000 0.440 385 N N 2.141 120.853 118.700 0.020 0.000 2.410 385 N HA 0.183 4.922 4.740 -0.000 0.000 0.287 385 N C -1.964 173.552 175.510 0.010 0.000 1.044 385 N CA -0.582 52.483 53.050 0.025 0.000 0.881 385 N CB 1.829 40.336 38.487 0.034 0.000 1.405 385 N HN 0.535 nan 8.380 nan 0.000 0.490 386 D N 3.729 124.142 120.400 0.021 0.000 2.329 386 D HA 0.356 4.996 4.640 -0.000 0.000 0.232 386 D C -0.537 175.772 176.300 0.014 0.000 1.088 386 D CA -0.210 53.793 54.000 0.005 0.000 0.835 386 D CB 0.794 41.605 40.800 0.018 0.000 1.078 386 D HN 0.522 nan 8.370 nan 0.000 0.495 387 I N 3.246 123.797 120.570 -0.031 0.000 2.404 387 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 387 I C 0.435 176.555 176.117 0.005 0.000 0.992 387 I CA -0.659 60.641 61.300 -0.001 0.000 1.149 387 I CB 1.606 39.539 38.000 -0.111 0.000 1.315 387 I HN 0.221 nan 8.210 nan 0.000 0.446 388 N N 5.578 124.333 118.700 0.091 0.000 2.664 388 N HA 0.644 5.384 4.740 -0.000 0.000 0.257 388 N C -1.322 174.303 175.510 0.192 0.000 1.108 388 N CA -0.100 53.017 53.050 0.111 0.000 0.822 388 N CB 1.051 39.593 38.487 0.091 0.000 1.199 388 N HN 0.784 nan 8.380 nan 0.000 0.529 389 A N 2.417 125.406 122.820 0.283 0.000 2.437 389 A HA 0.694 5.014 4.320 -0.000 0.000 0.288 389 A C -1.937 175.878 177.584 0.385 0.000 1.201 389 A CA -0.634 51.593 52.037 0.317 0.000 0.795 389 A CB 1.710 20.941 19.000 0.385 0.000 1.359 389 A HN 0.596 nan 8.150 nan 0.000 0.435 390 W N 0.470 121.816 121.300 0.076 0.000 3.097 390 W HA 0.645 5.304 4.660 -0.000 0.000 0.335 390 W C -2.767 173.702 176.519 -0.083 0.000 1.114 390 W CA -1.059 56.363 57.345 0.128 0.000 1.231 390 W CB 1.830 31.382 29.460 0.153 0.000 1.388 390 W HN 0.494 nan 8.180 nan 0.000 0.485 391 F N 2.897 122.845 119.950 -0.003 0.000 2.467 391 F HA 0.537 5.064 4.527 -0.000 0.000 0.336 391 F C 1.052 176.456 175.800 -0.661 0.000 1.123 391 F CA -0.612 57.281 58.000 -0.178 0.000 0.964 391 F CB 1.707 40.646 39.000 -0.101 0.000 1.136 391 F HN 0.329 nan 8.300 nan 0.000 0.447 392 G N 2.475 110.787 108.800 -0.812 0.000 2.390 392 G HA2 0.356 4.316 3.960 -0.000 0.000 0.270 392 G HA3 0.356 4.316 3.960 -0.000 0.000 0.270 392 G C -1.026 173.535 174.900 -0.565 0.000 1.211 392 G CA -0.012 44.480 45.100 -1.013 0.000 0.842 392 G HN 0.438 nan 8.290 nan 0.000 0.519 393 Y N -0.033 120.186 120.300 -0.135 0.000 2.861 393 Y HA 0.326 4.876 4.550 -0.000 0.000 0.370 393 Y C 0.947 176.769 175.900 -0.131 0.000 1.249 393 Y CA -1.376 56.648 58.100 -0.128 0.000 1.306 393 Y CB 0.060 38.481 38.460 -0.065 0.000 1.503 393 Y HN 0.326 nan 8.280 nan 0.000 0.750 394 D N 1.367 121.833 120.400 0.109 0.000 2.423 394 D HA -0.022 4.618 4.640 -0.000 0.000 0.238 394 D C -0.140 176.196 176.300 0.061 0.000 1.142 394 D CA 0.879 54.904 54.000 0.042 0.000 0.884 394 D CB 0.184 41.025 40.800 0.068 0.000 1.199 394 D HN 0.501 nan 8.370 nan 0.000 0.438 395 D N 0.300 120.723 120.400 0.040 0.000 2.911 395 D HA -0.182 4.457 4.640 -0.000 0.000 0.227 395 D C 0.924 177.272 176.300 0.081 0.000 1.164 395 D CA 1.096 55.129 54.000 0.055 0.000 0.782 395 D CB -1.363 39.473 40.800 0.059 0.000 1.094 395 D HN 0.438 nan 8.370 nan 0.000 0.425 396 S N -1.511 114.233 115.700 0.073 0.000 2.501 396 S HA 0.245 4.715 4.470 -0.000 0.000 0.220 396 S C 0.763 175.531 174.600 0.280 0.000 0.997 396 S CA 0.433 58.722 58.200 0.147 0.000 0.919 396 S CB 1.361 64.566 63.200 0.007 0.000 0.778 396 S HN 0.400 nan 8.310 nan 0.000 0.523 397 V N 0.850 120.858 119.914 0.155 0.000 2.969 397 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 397 V C -3.148 172.989 176.094 0.072 0.000 1.192 397 V CA -2.214 60.173 62.300 0.146 0.000 0.962 397 V CB 1.687 33.422 31.823 -0.145 0.000 1.045 397 V HN -0.008 nan 8.190 nan 0.000 0.428 398 P HA 0.114 nan 4.420 nan 0.000 0.269 398 P C -0.437 176.902 177.300 0.065 0.000 1.200 398 P CA 0.403 63.549 63.100 0.077 0.000 0.779 398 P CB 0.300 32.055 31.700 0.092 0.000 0.841 399 L N 1.092 122.365 121.223 0.083 0.000 2.472 399 L HA 0.496 4.836 4.340 -0.000 0.000 0.256 399 L C 0.213 177.181 176.870 0.162 0.000 1.111 399 L CA -0.698 54.213 54.840 0.119 0.000 0.800 399 L CB 0.189 42.323 42.059 0.125 0.000 1.286 399 L HN 0.177 nan 8.230 nan 0.000 0.479 400 L N 1.096 122.439 121.223 0.200 0.000 2.470 400 L HA 0.341 4.681 4.340 -0.000 0.000 0.268 400 L C -0.713 176.205 176.870 0.080 0.000 0.964 400 L CA -0.527 54.413 54.840 0.168 0.000 0.839 400 L CB 1.969 44.138 42.059 0.183 0.000 1.276 400 L HN 0.535 nan 8.230 nan 0.000 0.403 401 N N 2.770 121.446 118.700 -0.039 0.000 2.458 401 N HA 0.153 4.893 4.740 -0.000 0.000 0.270 401 N C 0.191 175.599 175.510 -0.171 0.000 1.102 401 N CA -0.324 52.488 53.050 -0.397 0.000 0.967 401 N CB 1.615 39.878 38.487 -0.374 0.000 1.078 401 N HN 0.492 nan 8.380 nan 0.000 0.471 402 L N 4.780 125.885 121.223 -0.196 0.000 2.591 402 L HA 0.104 4.443 4.340 -0.000 0.000 0.228 402 L C 1.308 178.201 176.870 0.038 0.000 1.133 402 L CA 0.239 55.014 54.840 -0.108 0.000 0.880 402 L CB -0.872 41.125 42.059 -0.102 0.000 1.033 402 L HN 0.600 nan 8.230 nan 0.000 0.450 403 Y N -0.259 119.965 120.300 -0.126 0.000 2.184 403 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 403 Y C 2.525 178.397 175.900 -0.047 0.000 1.129 403 Y CA 0.462 58.487 58.100 -0.125 0.000 1.144 403 Y CB -0.615 37.724 38.460 -0.203 0.000 0.995 403 Y HN 0.271 nan 8.280 nan 0.000 0.513 404 N N 0.334 119.133 118.700 0.165 0.000 2.069 404 N HA -0.169 4.571 4.740 -0.000 0.000 0.196 404 N C -1.764 173.893 175.510 0.245 0.000 1.024 404 N CA 1.072 54.229 53.050 0.177 0.000 0.869 404 N CB -1.472 37.140 38.487 0.208 0.000 1.035 404 N HN 0.144 nan 8.380 nan 0.000 0.434 405 P HA 0.020 nan 4.420 nan 0.000 0.258 405 P C -0.294 177.121 177.300 0.191 0.000 1.563 405 P CA 0.167 63.410 63.100 0.239 0.000 1.241 405 P CB -0.032 31.609 31.700 -0.098 0.000 1.811 406 S N 1.306 117.112 115.700 0.178 0.000 2.618 406 S HA 0.196 4.666 4.470 -0.000 0.000 0.284 406 S C 1.414 176.082 174.600 0.112 0.000 1.102 406 S CA -0.164 58.087 58.200 0.086 0.000 0.984 406 S CB 0.089 63.298 63.200 0.015 0.000 1.280 406 S HN 0.369 nan 8.310 nan 0.000 0.525 407 H N 0.019 119.044 119.070 -0.075 0.000 2.387 407 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 407 H C 2.026 177.379 175.328 0.043 0.000 1.090 407 H CA 2.588 58.562 56.048 -0.124 0.000 1.332 407 H CB -0.755 28.930 29.762 -0.129 0.000 1.386 407 H HN 0.863 nan 8.280 nan 0.000 0.516 408 H N -0.497 118.451 119.070 -0.204 0.000 2.352 408 H HA -0.141 4.414 4.556 -0.000 0.000 0.299 408 H C 1.585 176.849 175.328 -0.107 0.000 1.097 408 H CA 2.320 58.224 56.048 -0.239 0.000 1.311 408 H CB -0.457 29.144 29.762 -0.268 0.000 1.377 408 H HN 0.672 nan 8.280 nan 0.000 0.504 409 H N -1.435 117.554 119.070 -0.134 0.000 2.556 409 H HA 0.030 4.586 4.556 -0.000 0.000 0.268 409 H C 1.022 176.235 175.328 -0.193 0.000 0.996 409 H CA 0.466 56.359 56.048 -0.258 0.000 1.157 409 H CB 0.182 29.854 29.762 -0.150 0.000 1.355 409 H HN 0.599 nan 8.280 nan 0.000 0.597 410 H N -1.512 117.452 119.070 -0.177 0.000 2.526 410 H HA -0.024 4.531 4.556 -0.000 0.000 0.274 410 H C 1.159 176.382 175.328 -0.174 0.000 0.999 410 H CA 0.288 56.234 56.048 -0.170 0.000 1.157 410 H CB 0.637 30.303 29.762 -0.160 0.000 1.407 410 H HN 0.516 nan 8.280 nan 0.000 0.568 411 H N -0.170 118.774 119.070 -0.210 0.000 2.481 411 H HA 0.024 4.580 4.556 -0.000 0.000 0.291 411 H C 1.269 176.557 175.328 -0.068 0.000 1.009 411 H CA 0.498 56.440 56.048 -0.177 0.000 1.282 411 H CB 0.737 30.351 29.762 -0.246 0.000 1.457 411 H HN 0.366 nan 8.280 nan 0.000 0.525 412 H N -2.826 116.144 119.070 -0.167 0.000 4.181 412 H HA 0.416 4.972 4.556 -0.000 0.000 0.406 412 H C 0.355 175.647 175.328 -0.060 0.000 1.526 412 H CA -0.026 55.950 56.048 -0.120 0.000 1.012 412 H CB 0.732 30.462 29.762 -0.053 0.000 1.221 412 H HN 0.264 nan 8.280 nan 0.000 0.765 413 G N -0.680 107.836 108.800 -0.474 0.000 2.868 413 G HA2 0.266 4.226 3.960 -0.000 0.000 0.201 413 G HA3 0.266 4.226 3.960 -0.000 0.000 0.201 413 G C -0.753 173.848 174.900 -0.498 0.000 1.130 413 G CA 0.402 45.270 45.100 -0.387 0.000 0.777 413 G HN 0.754 nan 8.290 nan 0.000 0.680 414 S N -0.677 114.830 115.700 -0.322 0.000 3.373 414 S HA -0.144 4.325 4.470 -0.000 0.000 0.728 414 S C -0.196 174.349 174.600 -0.092 0.000 0.612 414 S CA 0.128 58.221 58.200 -0.178 0.000 1.473 414 S CB -1.209 61.724 63.200 -0.446 0.000 0.990 414 S HN 1.138 nan 8.310 nan 0.000 0.936 415 V N 4.212 124.120 119.914 -0.010 0.000 3.264 415 V HA 0.399 4.519 4.120 -0.000 0.000 0.304 415 V C 0.891 176.996 176.094 0.018 0.000 1.086 415 V CA -0.118 62.180 62.300 -0.003 0.000 1.090 415 V CB 1.076 32.912 31.823 0.022 0.000 1.112 415 V HN 0.850 nan 8.190 nan 0.000 0.472 416 N N 0.487 119.199 118.700 0.020 0.000 2.620 416 N HA 0.431 5.171 4.740 -0.000 0.000 0.307 416 N C -0.391 175.152 175.510 0.053 0.000 1.316 416 N CA 0.245 53.322 53.050 0.044 0.000 0.931 416 N CB 0.806 39.315 38.487 0.037 0.000 1.116 416 N HN 0.897 nan 8.380 nan 0.000 0.573 417 T N -2.178 112.413 114.554 0.061 0.000 2.948 417 T HA 0.379 4.728 4.350 -0.000 0.000 0.285 417 T C 0.096 174.841 174.700 0.074 0.000 1.019 417 T CA -0.752 61.386 62.100 0.063 0.000 1.013 417 T CB 1.037 69.942 68.868 0.061 0.000 1.117 417 T HN 0.128 nan 8.240 nan 0.000 0.533 418 D N -0.202 120.239 120.400 0.068 0.000 2.174 418 D HA 0.448 5.087 4.640 -0.000 0.000 0.245 418 D C -0.720 175.645 176.300 0.107 0.000 1.301 418 D CA 0.272 54.320 54.000 0.081 0.000 0.959 418 D CB 0.022 40.847 40.800 0.042 0.000 1.231 418 D HN 0.572 nan 8.370 nan 0.000 0.535 419 F N -0.222 119.619 119.950 -0.182 0.000 2.660 419 F HA 0.098 4.625 4.527 -0.000 0.000 0.320 419 F C -1.637 173.861 175.800 -0.504 0.000 1.099 419 F CA -0.910 56.857 58.000 -0.389 0.000 1.061 419 F CB 1.137 39.771 39.000 -0.611 0.000 1.300 419 F HN 0.016 nan 8.300 nan 0.000 0.479 420 D N 4.887 124.549 120.400 -1.230 0.000 2.338 420 D HA 0.129 4.769 4.640 -0.000 0.000 0.255 420 D C 0.489 176.038 176.300 -1.251 0.000 1.237 420 D CA 0.337 53.785 54.000 -0.920 0.000 0.883 420 D CB 0.362 40.759 40.800 -0.671 0.000 1.087 420 D HN 0.462 nan 8.370 nan 0.000 0.485 421 F N 2.275 121.919 119.950 -0.510 0.000 2.797 421 F HA 0.104 4.631 4.527 -0.000 0.000 0.302 421 F C 1.330 176.893 175.800 -0.395 0.000 1.130 421 F CA -0.122 57.636 58.000 -0.404 0.000 1.387 421 F CB 0.117 39.003 39.000 -0.189 0.000 1.107 421 F HN 0.201 nan 8.300 nan 0.000 0.577 422 N N -0.182 118.360 118.700 -0.264 0.000 2.643 422 N HA 0.478 5.218 4.740 -0.000 0.000 0.305 422 N C 0.472 175.791 175.510 -0.319 0.000 1.283 422 N CA 0.352 53.247 53.050 -0.259 0.000 0.946 422 N CB 0.699 39.077 38.487 -0.181 0.000 1.149 422 N HN -0.154 nan 8.380 nan 0.000 0.600 423 A N 0.129 122.788 122.820 -0.269 0.000 2.578 423 A HA -0.171 4.149 4.320 -0.000 0.000 0.298 423 A C -0.471 176.961 177.584 -0.253 0.000 1.472 423 A CA 0.396 52.298 52.037 -0.226 0.000 0.734 423 A CB -1.741 17.137 19.000 -0.203 0.000 1.091 423 A HN 0.426 nan 8.150 nan 0.000 0.426 424 K N 1.598 121.762 120.400 -0.393 0.000 2.165 424 K HA 0.054 4.373 4.320 -0.000 0.000 0.270 424 K C -0.025 176.540 176.600 -0.058 0.000 1.091 424 K CA -0.096 55.903 56.287 -0.480 0.000 1.019 424 K CB -0.055 31.449 32.500 -1.660 0.000 1.101 424 K HN 0.578 nan 8.250 nan 0.000 0.397 425 D N 3.933 124.370 120.400 0.061 0.000 2.426 425 D HA -0.013 4.627 4.640 -0.000 0.000 0.261 425 D C -1.558 174.888 176.300 0.244 0.000 1.245 425 D CA -1.550 52.526 54.000 0.126 0.000 0.917 425 D CB 1.005 41.867 40.800 0.104 0.000 1.123 425 D HN 0.143 nan 8.370 nan 0.000 0.508 426 P HA -0.088 nan 4.420 nan 0.000 0.226 426 P C 0.632 178.061 177.300 0.215 0.000 1.146 426 P CA 0.704 63.968 63.100 0.274 0.000 0.773 426 P CB 0.331 32.156 31.700 0.209 0.000 0.772 427 A N 0.451 123.377 122.820 0.177 0.000 1.935 427 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 427 A C 1.840 179.535 177.584 0.185 0.000 1.178 427 A CA 1.291 53.417 52.037 0.150 0.000 0.640 427 A CB -0.934 18.130 19.000 0.108 0.000 0.825 427 A HN 0.382 nan 8.150 nan 0.000 0.447 428 N N -1.268 117.548 118.700 0.193 0.000 2.171 428 N HA 0.068 4.808 4.740 -0.000 0.000 0.212 428 N C 0.153 175.711 175.510 0.081 0.000 1.184 428 N CA 0.566 53.731 53.050 0.192 0.000 0.888 428 N CB 0.530 39.100 38.487 0.139 0.000 1.038 428 N HN 0.393 nan 8.380 nan 0.000 0.517 429 S N -0.741 115.007 115.700 0.080 0.000 2.661 429 S HA 0.870 5.339 4.470 -0.000 0.000 0.285 429 S C -0.401 174.202 174.600 0.006 0.000 1.138 429 S CA -0.604 57.467 58.200 -0.216 0.000 0.855 429 S CB 2.193 65.580 63.200 0.312 0.000 1.136 429 S HN 0.225 nan 8.310 nan 0.000 0.484 430 G N -0.229 108.300 108.800 -0.453 0.000 2.684 430 G HA2 0.726 4.686 3.960 -0.000 0.000 0.290 430 G HA3 0.726 4.686 3.960 -0.000 0.000 0.290 430 G C -3.683 170.391 174.900 -1.376 0.000 1.425 430 G CA -1.504 43.250 45.100 -0.577 0.000 0.822 430 G HN 0.577 nan 8.290 nan 0.000 0.482 431 P HA 0.428 nan 4.420 nan 0.000 0.284 431 P C -1.646 175.590 177.300 -0.106 0.000 1.258 431 P CA -0.389 62.248 63.100 -0.770 0.000 0.824 431 P CB 0.978 32.350 31.700 -0.545 0.000 1.038 432 Y N 1.978 122.250 120.300 -0.047 0.000 2.333 432 Y HA 0.428 4.977 4.550 -0.000 0.000 0.324 432 Y C -0.734 175.198 175.900 0.055 0.000 1.033 432 Y CA -0.559 57.582 58.100 0.069 0.000 1.224 432 Y CB 1.235 39.883 38.460 0.314 0.000 1.120 432 Y HN 0.211 nan 8.280 nan 0.000 0.457 433 R N 7.429 127.738 120.500 -0.317 0.000 2.468 433 R HA 0.600 4.940 4.340 -0.000 0.000 0.302 433 R C -1.491 174.583 176.300 -0.377 0.000 1.041 433 R CA -0.633 55.314 56.100 -0.255 0.000 0.899 433 R CB 1.486 31.727 30.300 -0.098 0.000 1.167 433 R HN 0.439 nan 8.270 nan 0.000 0.483 434 I N 3.592 123.905 120.570 -0.430 0.000 2.689 434 I HA 0.409 4.579 4.170 -0.000 0.000 0.299 434 I C -0.747 175.244 176.117 -0.210 0.000 1.059 434 I CA -1.114 59.963 61.300 -0.371 0.000 1.055 434 I CB 2.182 39.861 38.000 -0.536 0.000 1.243 434 I HN 0.430 nan 8.210 nan 0.000 0.425 435 L N 6.047 127.185 121.223 -0.142 0.000 2.377 435 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 435 L C -0.966 175.868 176.870 -0.061 0.000 0.991 435 L CA -0.081 54.712 54.840 -0.078 0.000 0.851 435 L CB 0.689 42.720 42.059 -0.047 0.000 1.218 435 L HN 0.423 nan 8.230 nan 0.000 0.420 436 N N 4.438 123.108 118.700 -0.050 0.000 2.443 436 N HA 0.492 5.232 4.740 -0.000 0.000 0.295 436 N C -1.009 174.501 175.510 -0.000 0.000 1.076 436 N CA -0.505 52.530 53.050 -0.026 0.000 0.919 436 N CB 2.038 40.510 38.487 -0.026 0.000 1.176 436 N HN 0.534 nan 8.380 nan 0.000 0.487 437 K N 1.497 121.904 120.400 0.012 0.000 2.426 437 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 437 K C -0.791 175.829 176.600 0.033 0.000 0.941 437 K CA -0.592 55.711 56.287 0.028 0.000 0.808 437 K CB 2.369 34.892 32.500 0.038 0.000 1.265 437 K HN 0.424 nan 8.250 nan 0.000 0.432 438 Q N 1.312 121.132 119.800 0.033 0.000 2.379 438 Q HA 0.445 4.785 4.340 -0.000 0.000 0.278 438 Q C -1.623 174.395 176.000 0.030 0.000 1.068 438 Q CA -0.861 54.961 55.803 0.032 0.000 0.816 438 Q CB 3.191 31.933 28.738 0.008 0.000 1.387 438 Q HN 0.319 nan 8.270 nan 0.000 0.413 439 K N 1.383 121.814 120.400 0.051 0.000 2.542 439 K HA 0.386 4.705 4.320 -0.000 0.000 0.259 439 K C -1.958 174.695 176.600 0.089 0.000 0.932 439 K CA -0.419 55.899 56.287 0.051 0.000 0.820 439 K CB 2.258 34.850 32.500 0.154 0.000 1.345 439 K HN 0.527 nan 8.250 nan 0.000 0.432 440 Q N 2.146 121.971 119.800 0.042 0.000 2.280 440 Q HA 0.315 4.655 4.340 -0.000 0.000 0.259 440 Q C -1.792 174.356 176.000 0.247 0.000 0.964 440 Q CA -0.486 55.414 55.803 0.162 0.000 0.844 440 Q CB 2.278 31.085 28.738 0.115 0.000 1.334 440 Q HN 0.600 nan 8.270 nan 0.000 0.423 441 T N 1.771 116.590 114.554 0.442 0.000 2.824 441 T HA 0.810 5.159 4.350 -0.000 0.000 0.282 441 T C -0.574 174.471 174.700 0.575 0.000 0.993 441 T CA -0.501 61.922 62.100 0.539 0.000 0.967 441 T CB 1.513 70.670 68.868 0.482 0.000 0.960 441 T HN 0.633 nan 8.240 nan 0.000 0.441 442 G N 1.110 110.207 108.800 0.496 0.000 2.667 442 G HA2 0.653 4.613 3.960 -0.000 0.000 0.298 442 G HA3 0.653 4.613 3.960 -0.000 0.000 0.298 442 G C -1.001 174.204 174.900 0.509 0.000 1.377 442 G CA -0.761 44.635 45.100 0.492 0.000 0.964 442 G HN 0.849 nan 8.290 nan 0.000 0.493 443 V N -0.324 119.901 119.914 0.519 0.000 2.555 443 V HA 0.908 5.028 4.120 -0.000 0.000 0.302 443 V C -0.909 175.433 176.094 0.414 0.000 1.038 443 V CA -1.266 61.274 62.300 0.400 0.000 0.887 443 V CB 0.588 32.621 31.823 0.350 0.000 0.991 443 V HN 1.044 nan 8.190 nan 0.000 0.434 444 Y N 2.006 122.395 120.300 0.148 0.000 2.562 444 Y HA 0.932 5.482 4.550 -0.000 0.000 0.345 444 Y C -1.114 174.843 175.900 0.095 0.000 1.045 444 Y CA -1.854 56.310 58.100 0.106 0.000 1.028 444 Y CB 1.809 40.292 38.460 0.038 0.000 1.297 444 Y HN 0.497 nan 8.280 nan 0.000 0.463 445 V N 2.881 122.903 119.914 0.181 0.000 2.686 445 V HA 0.580 4.699 4.120 -0.000 0.000 0.306 445 V C -1.030 175.152 176.094 0.146 0.000 1.065 445 V CA -0.605 61.759 62.300 0.107 0.000 0.894 445 V CB 1.729 33.619 31.823 0.112 0.000 1.004 445 V HN 0.913 nan 8.190 nan 0.000 0.424 446 Q N 2.460 122.327 119.800 0.112 0.000 2.340 446 Q HA 0.629 4.969 4.340 -0.000 0.000 0.276 446 Q C -2.154 173.877 176.000 0.051 0.000 1.048 446 Q CA -0.609 55.250 55.803 0.094 0.000 0.832 446 Q CB 2.882 31.678 28.738 0.098 0.000 1.373 446 Q HN 0.838 nan 8.270 nan 0.000 0.409 447 D N 1.647 122.062 120.400 0.024 0.000 2.787 447 D HA 0.246 4.886 4.640 -0.000 0.000 0.246 447 D C -1.525 174.747 176.300 -0.046 0.000 1.150 447 D CA -0.196 53.786 54.000 -0.030 0.000 0.864 447 D CB 1.763 42.520 40.800 -0.071 0.000 1.481 447 D HN 0.398 nan 8.370 nan 0.000 0.509 448 Q N 1.913 121.679 119.800 -0.057 0.000 2.400 448 Q HA 0.658 4.998 4.340 -0.000 0.000 0.255 448 Q C -1.090 174.881 176.000 -0.048 0.000 1.008 448 Q CA -0.837 54.941 55.803 -0.041 0.000 0.841 448 Q CB 1.946 30.666 28.738 -0.030 0.000 1.220 448 Q HN 0.467 nan 8.270 nan 0.000 0.474 449 A N 3.351 126.145 122.820 -0.043 0.000 2.271 449 A HA 0.393 4.713 4.320 -0.000 0.000 0.317 449 A C -0.838 176.808 177.584 0.103 0.000 1.245 449 A CA -0.495 51.546 52.037 0.007 0.000 0.857 449 A CB 0.970 19.890 19.000 -0.133 0.000 1.175 449 A HN 0.680 nan 8.150 nan 0.000 0.512 450 Q N 2.097 121.990 119.800 0.154 0.000 2.348 450 Q HA 0.336 4.676 4.340 -0.000 0.000 0.265 450 Q C -1.524 174.616 176.000 0.234 0.000 0.998 450 Q CA -0.426 55.466 55.803 0.148 0.000 0.831 450 Q CB 1.121 29.900 28.738 0.070 0.000 1.251 450 Q HN 0.792 nan 8.270 nan 0.000 0.456 451 W N 6.988 128.322 121.300 0.056 0.000 1.843 451 W HA 0.249 4.909 4.660 -0.000 0.000 0.309 451 W C -0.952 175.588 176.519 0.035 0.000 0.773 451 W CA -0.394 56.988 57.345 0.061 0.000 2.405 451 W CB 0.175 29.686 29.460 0.086 0.000 2.324 451 W HN 0.664 nan 8.180 nan 0.000 0.517 452 D N 2.620 122.931 120.400 -0.149 0.000 5.581 452 D HA -0.258 4.382 4.640 -0.000 0.000 0.244 452 D C 0.824 177.000 176.300 -0.206 0.000 1.377 452 D CA 1.370 55.223 54.000 -0.244 0.000 1.413 452 D CB -0.174 40.364 40.800 -0.436 0.000 0.741 452 D HN 0.408 nan 8.370 nan 0.000 0.393 453 K N -1.895 118.389 120.400 -0.193 0.000 3.577 453 K HA -0.230 4.089 4.320 -0.000 0.000 0.300 453 K C -0.098 176.297 176.600 -0.341 0.000 1.235 453 K CA 1.581 57.673 56.287 -0.325 0.000 1.028 453 K CB -0.748 31.477 32.500 -0.458 0.000 1.306 453 K HN 0.415 nan 8.250 nan 0.000 0.432 454 V N 1.197 121.084 119.914 -0.045 0.000 2.409 454 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 454 V C -0.770 175.416 176.094 0.153 0.000 1.020 454 V CA -0.834 61.559 62.300 0.155 0.000 0.848 454 V CB 1.602 33.665 31.823 0.400 0.000 0.990 454 V HN 0.130 nan 8.190 nan 0.000 0.430 455 L N 6.274 127.570 121.223 0.123 0.000 2.356 455 L HA 0.761 5.100 4.340 -0.000 0.000 0.277 455 L C -0.738 176.175 176.870 0.070 0.000 0.996 455 L CA -0.291 54.598 54.840 0.083 0.000 0.822 455 L CB 1.847 43.928 42.059 0.038 0.000 1.256 455 L HN 0.470 nan 8.230 nan 0.000 0.413 456 V N 5.260 125.209 119.914 0.058 0.000 2.350 456 V HA 0.615 4.735 4.120 -0.000 0.000 0.285 456 V C -0.434 175.663 176.094 0.005 0.000 1.014 456 V CA 0.038 62.357 62.300 0.032 0.000 0.831 456 V CB 1.713 33.570 31.823 0.056 0.000 1.000 456 V HN 0.933 nan 8.190 nan 0.000 0.433 457 T N 8.324 122.871 114.554 -0.012 0.000 2.795 457 T HA 0.722 5.072 4.350 -0.000 0.000 0.282 457 T C -0.712 174.008 174.700 0.034 0.000 0.980 457 T CA -0.221 61.875 62.100 -0.007 0.000 1.012 457 T CB 1.189 70.037 68.868 -0.035 0.000 0.936 457 T HN 0.785 nan 8.240 nan 0.000 0.457 458 L N 2.268 123.526 121.223 0.059 0.000 2.588 458 L HA 0.770 5.110 4.340 -0.000 0.000 0.263 458 L C -0.567 176.386 176.870 0.138 0.000 0.935 458 L CA 0.170 55.092 54.840 0.135 0.000 0.891 458 L CB 1.492 43.637 42.059 0.144 0.000 1.318 458 L HN 0.841 nan 8.230 nan 0.000 0.409 459 G N 1.603 110.522 108.800 0.199 0.000 2.600 459 G HA2 0.769 4.729 3.960 -0.000 0.000 0.293 459 G HA3 0.769 4.729 3.960 -0.000 0.000 0.293 459 G C -1.322 173.725 174.900 0.245 0.000 1.408 459 G CA -0.217 44.995 45.100 0.187 0.000 0.782 459 G HN 1.056 nan 8.290 nan 0.000 0.482 460 G N -1.281 107.645 108.800 0.210 0.000 2.684 460 G HA2 0.770 4.730 3.960 -0.000 0.000 0.290 460 G HA3 0.770 4.730 3.960 -0.000 0.000 0.290 460 G C -1.530 173.428 174.900 0.096 0.000 1.425 460 G CA -0.643 44.537 45.100 0.133 0.000 0.822 460 G HN 0.754 nan 8.290 nan 0.000 0.482 461 R N -0.814 119.612 120.500 -0.123 0.000 2.604 461 R HA 0.551 4.891 4.340 -0.000 0.000 0.270 461 R C -2.335 173.979 176.300 0.023 0.000 1.052 461 R CA -0.856 55.286 56.100 0.070 0.000 0.902 461 R CB 2.028 32.365 30.300 0.062 0.000 1.233 461 R HN 0.600 nan 8.270 nan 0.000 0.455 462 Y N 2.685 123.042 120.300 0.095 0.000 2.341 462 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 462 Y C -1.112 174.732 175.900 -0.094 0.000 0.965 462 Y CA -0.436 57.661 58.100 -0.005 0.000 1.108 462 Y CB 1.673 40.135 38.460 0.004 0.000 1.180 462 Y HN 0.586 nan 8.280 nan 0.000 0.458 463 D N 4.840 124.852 120.400 -0.645 0.000 2.342 463 D HA 0.201 4.841 4.640 -0.000 0.000 0.243 463 D C -1.134 174.846 176.300 -0.534 0.000 1.019 463 D CA -0.215 53.589 54.000 -0.327 0.000 0.864 463 D CB 1.595 42.340 40.800 -0.092 0.000 1.315 463 D HN 0.623 nan 8.370 nan 0.000 0.468 464 W N 1.576 122.882 121.300 0.010 0.000 2.406 464 W HA 0.447 5.106 4.660 -0.000 0.000 0.308 464 W C -0.689 175.885 176.519 0.091 0.000 0.965 464 W CA -0.761 56.617 57.345 0.055 0.000 1.589 464 W CB 1.210 30.761 29.460 0.152 0.000 1.417 464 W HN 0.277 nan 8.180 nan 0.000 0.415 465 A N 3.206 126.141 122.820 0.192 0.000 2.341 465 A HA 0.488 4.808 4.320 -0.000 0.000 0.326 465 A C -0.386 177.301 177.584 0.171 0.000 1.402 465 A CA -0.284 51.876 52.037 0.206 0.000 0.957 465 A CB 0.379 19.537 19.000 0.264 0.000 1.151 465 A HN 0.322 nan 8.150 nan 0.000 0.533 466 D N 2.068 122.572 120.400 0.174 0.000 2.248 466 D HA 0.478 5.118 4.640 -0.000 0.000 0.246 466 D C -0.069 176.296 176.300 0.109 0.000 1.027 466 D CA -0.102 53.983 54.000 0.141 0.000 0.853 466 D CB 1.640 42.534 40.800 0.156 0.000 1.243 466 D HN 0.746 nan 8.370 nan 0.000 0.462 467 Q N -0.444 119.408 119.800 0.087 0.000 2.484 467 Q HA 0.712 5.051 4.340 -0.000 0.000 0.285 467 Q C -1.157 174.875 176.000 0.052 0.000 1.097 467 Q CA -0.994 54.848 55.803 0.066 0.000 0.802 467 Q CB 3.016 31.790 28.738 0.060 0.000 1.444 467 Q HN 0.379 nan 8.270 nan 0.000 0.429 468 E N 0.718 120.941 120.200 0.038 0.000 2.343 468 E HA 0.305 4.655 4.350 -0.000 0.000 0.288 468 E C -1.997 174.609 176.600 0.010 0.000 0.907 468 E CA -0.282 56.134 56.400 0.026 0.000 0.792 468 E CB 2.333 32.052 29.700 0.031 0.000 1.275 468 E HN 0.585 nan 8.360 nan 0.000 0.402 469 S N 4.397 120.096 115.700 -0.002 0.000 2.478 469 S HA 0.563 5.033 4.470 -0.000 0.000 0.312 469 S C -1.345 173.234 174.600 -0.035 0.000 1.094 469 S CA -0.751 57.435 58.200 -0.023 0.000 1.081 469 S CB 0.877 64.062 63.200 -0.024 0.000 1.007 469 S HN 0.486 nan 8.310 nan 0.000 0.475 470 L N 5.528 126.720 121.223 -0.051 0.000 2.287 470 L HA 0.625 4.965 4.340 -0.000 0.000 0.287 470 L C -0.517 176.298 176.870 -0.092 0.000 1.022 470 L CA -0.235 54.572 54.840 -0.055 0.000 0.814 470 L CB 1.352 43.386 42.059 -0.041 0.000 1.217 470 L HN 0.648 nan 8.230 nan 0.000 0.420 471 N N 4.311 122.959 118.700 -0.087 0.000 2.500 471 N HA 0.238 4.977 4.740 -0.000 0.000 0.236 471 N C 0.699 176.153 175.510 -0.092 0.000 1.022 471 N CA -0.107 52.870 53.050 -0.120 0.000 0.935 471 N CB 0.795 39.225 38.487 -0.095 0.000 1.147 471 N HN 0.737 nan 8.380 nan 0.000 0.512 472 R N 1.728 122.166 120.500 -0.104 0.000 2.120 472 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 472 R C 1.543 177.811 176.300 -0.053 0.000 1.123 472 R CA 1.107 57.167 56.100 -0.066 0.000 0.975 472 R CB 0.056 30.319 30.300 -0.061 0.000 0.866 472 R HN 0.323 nan 8.270 nan 0.000 0.446 473 V N 0.452 120.323 119.914 -0.072 0.000 2.379 473 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 473 V C 2.092 178.165 176.094 -0.035 0.000 1.044 473 V CA 1.920 64.190 62.300 -0.050 0.000 1.036 473 V CB -0.259 31.526 31.823 -0.063 0.000 0.664 473 V HN 0.379 nan 8.190 nan 0.000 0.453 474 A N -0.707 122.089 122.820 -0.040 0.000 2.238 474 A HA 0.433 4.752 4.320 -0.000 0.000 0.210 474 A C 1.932 179.504 177.584 -0.021 0.000 1.179 474 A CA 0.829 52.851 52.037 -0.024 0.000 0.827 474 A CB -0.315 18.673 19.000 -0.020 0.000 0.856 474 A HN 1.118 nan 8.150 nan 0.000 0.488 475 G N 0.411 109.194 108.800 -0.028 0.000 2.203 475 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 475 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 475 G C 0.460 175.348 174.900 -0.020 0.000 1.012 475 G CA 1.113 46.200 45.100 -0.022 0.000 0.749 475 G HN 1.431 nan 8.290 nan 0.000 0.512 476 T N -2.911 111.628 114.554 -0.025 0.000 2.952 476 T HA 0.756 5.106 4.350 -0.000 0.000 0.286 476 T C -0.258 174.428 174.700 -0.024 0.000 1.024 476 T CA -0.009 62.079 62.100 -0.020 0.000 1.029 476 T CB 2.641 71.499 68.868 -0.016 0.000 1.094 476 T HN 0.380 nan 8.240 nan 0.000 0.515 477 T N 1.958 116.501 114.554 -0.018 0.000 2.949 477 T HA 0.407 4.757 4.350 -0.000 0.000 0.300 477 T C -1.428 173.264 174.700 -0.013 0.000 0.988 477 T CA -0.713 61.377 62.100 -0.016 0.000 0.993 477 T CB 1.128 69.990 68.868 -0.011 0.000 0.984 477 T HN 0.638 nan 8.240 nan 0.000 0.442 478 D N 3.099 123.491 120.400 -0.013 0.000 2.192 478 D HA 0.510 5.150 4.640 -0.000 0.000 0.246 478 D C -0.226 176.073 176.300 -0.001 0.000 1.042 478 D CA -0.429 53.564 54.000 -0.012 0.000 0.847 478 D CB 1.885 42.676 40.800 -0.014 0.000 1.186 478 D HN 0.388 nan 8.370 nan 0.000 0.461 479 K N 1.468 121.869 120.400 0.002 0.000 2.512 479 K HA 0.692 5.012 4.320 -0.000 0.000 0.263 479 K C -0.636 175.977 176.600 0.022 0.000 0.966 479 K CA -0.926 55.372 56.287 0.017 0.000 0.851 479 K CB 3.366 35.880 32.500 0.022 0.000 1.395 479 K HN 0.288 nan 8.250 nan 0.000 0.440 480 R N 1.249 121.773 120.500 0.040 0.000 2.644 480 R HA 0.205 4.545 4.340 -0.000 0.000 0.257 480 R C -2.108 174.234 176.300 0.070 0.000 1.082 480 R CA -0.484 55.645 56.100 0.048 0.000 0.927 480 R CB 1.385 31.712 30.300 0.045 0.000 1.258 480 R HN 0.580 nan 8.270 nan 0.000 0.459 481 D N 2.448 122.894 120.400 0.076 0.000 2.481 481 D HA 0.312 4.952 4.640 -0.000 0.000 0.246 481 D C -1.205 175.140 176.300 0.075 0.000 1.109 481 D CA -0.193 53.868 54.000 0.102 0.000 0.845 481 D CB 1.770 42.648 40.800 0.130 0.000 1.160 481 D HN 0.324 nan 8.370 nan 0.000 0.534 482 D N 1.457 121.890 120.400 0.055 0.000 2.163 482 D HA 0.320 4.960 4.640 -0.000 0.000 0.248 482 D C -0.048 176.159 176.300 -0.154 0.000 1.035 482 D CA -0.350 53.631 54.000 -0.032 0.000 0.872 482 D CB 1.967 42.756 40.800 -0.017 0.000 1.183 482 D HN 0.080 nan 8.370 nan 0.000 0.445 483 K N 2.055 122.293 120.400 -0.270 0.000 2.502 483 K HA 0.352 4.672 4.320 -0.000 0.000 0.254 483 K C -0.700 175.495 176.600 -0.676 0.000 0.947 483 K CA -0.673 55.288 56.287 -0.544 0.000 0.834 483 K CB 1.947 34.283 32.500 -0.273 0.000 1.112 483 K HN 0.187 nan 8.250 nan 0.000 0.427 484 Q N 1.745 120.905 119.800 -1.067 0.000 2.451 484 Q HA 0.540 4.879 4.340 -0.000 0.000 0.281 484 Q C -1.916 173.590 176.000 -0.823 0.000 1.099 484 Q CA -0.731 54.521 55.803 -0.918 0.000 0.806 484 Q CB 1.714 29.629 28.738 -1.372 0.000 1.419 484 Q HN 0.494 nan 8.270 nan 0.000 0.427 485 F N 0.895 120.574 119.950 -0.452 0.000 2.551 485 F HA 0.817 5.344 4.527 -0.000 0.000 0.316 485 F C -0.986 174.823 175.800 0.014 0.000 1.089 485 F CA -0.188 57.733 58.000 -0.132 0.000 0.915 485 F CB 1.953 41.008 39.000 0.091 0.000 1.186 485 F HN 0.551 nan 8.300 nan 0.000 0.456 486 T N 2.679 116.732 114.554 -0.835 0.000 2.894 486 T HA 0.668 5.018 4.350 -0.000 0.000 0.309 486 T C -1.526 172.829 174.700 -0.575 0.000 1.208 486 T CA -0.717 61.119 62.100 -0.440 0.000 1.016 486 T CB 1.861 70.615 68.868 -0.191 0.000 1.192 486 T HN 0.926 nan 8.240 nan 0.000 0.491 487 W N 1.296 122.387 121.300 -0.349 0.000 3.075 487 W HA 0.813 5.473 4.660 -0.000 0.000 0.334 487 W C -1.876 174.614 176.519 -0.048 0.000 1.243 487 W CA -1.157 56.088 57.345 -0.167 0.000 1.170 487 W CB 1.504 31.005 29.460 0.068 0.000 1.452 487 W HN 1.105 nan 8.180 nan 0.000 0.572 488 R N 1.119 121.625 120.500 0.011 0.000 2.626 488 R HA 0.646 4.985 4.340 -0.000 0.000 0.274 488 R C -1.205 175.163 176.300 0.114 0.000 1.031 488 R CA -0.368 55.601 56.100 -0.219 0.000 0.898 488 R CB 1.944 32.121 30.300 -0.206 0.000 1.222 488 R HN 0.922 nan 8.270 nan 0.000 0.455 489 G N 0.642 109.480 108.800 0.063 0.000 2.719 489 G HA2 0.691 4.650 3.960 -0.000 0.000 0.298 489 G HA3 0.691 4.650 3.960 -0.000 0.000 0.298 489 G C -1.315 173.630 174.900 0.076 0.000 1.411 489 G CA -0.447 44.786 45.100 0.222 0.000 0.991 489 G HN 0.801 nan 8.290 nan 0.000 0.509 490 G N -1.249 107.538 108.800 -0.023 0.000 2.576 490 G HA2 0.689 4.649 3.960 -0.000 0.000 0.290 490 G HA3 0.689 4.649 3.960 -0.000 0.000 0.290 490 G C -1.911 172.795 174.900 -0.325 0.000 1.442 490 G CA -0.414 44.537 45.100 -0.247 0.000 0.792 490 G HN 1.217 nan 8.290 nan 0.000 0.491 491 V N 0.126 119.664 119.914 -0.627 0.000 2.841 491 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 491 V C -1.019 175.011 176.094 -0.106 0.000 1.090 491 V CA -1.146 60.969 62.300 -0.308 0.000 0.930 491 V CB 2.299 33.996 31.823 -0.210 0.000 1.014 491 V HN 0.705 nan 8.190 nan 0.000 0.425 492 N N 2.139 120.875 118.700 0.059 0.000 2.573 492 N HA 0.371 5.111 4.740 -0.000 0.000 0.262 492 N C -1.264 174.378 175.510 0.220 0.000 1.029 492 N CA -0.458 52.685 53.050 0.156 0.000 0.882 492 N CB 1.162 39.692 38.487 0.072 0.000 1.204 492 N HN 0.741 nan 8.380 nan 0.000 0.519 493 Y N 2.847 123.262 120.300 0.192 0.000 2.584 493 Y HA 0.258 4.808 4.550 -0.000 0.000 0.351 493 Y C -0.541 175.514 175.900 0.258 0.000 1.030 493 Y CA -0.548 57.695 58.100 0.238 0.000 1.332 493 Y CB 0.244 38.877 38.460 0.289 0.000 1.148 493 Y HN 0.409 nan 8.280 nan 0.000 0.528 494 L N 7.855 129.037 121.223 -0.069 0.000 2.283 494 L HA 0.252 4.591 4.340 -0.000 0.000 0.287 494 L C -0.517 176.381 176.870 0.047 0.000 1.073 494 L CA 0.060 54.911 54.840 0.019 0.000 0.822 494 L CB -0.651 41.396 42.059 -0.020 0.000 1.186 494 L HN 0.525 nan 8.230 nan 0.000 0.436 495 F N 2.179 122.102 119.950 -0.044 0.000 2.192 495 F HA 0.154 4.681 4.527 -0.000 0.000 0.187 495 F C 1.372 177.164 175.800 -0.013 0.000 0.671 495 F CA 0.869 58.869 58.000 0.000 0.000 1.101 495 F CB 0.183 39.249 39.000 0.109 0.000 2.219 495 F HN 0.721 nan 8.300 nan 0.000 0.677 496 D N -3.468 117.079 120.400 0.246 0.000 2.107 496 D HA -0.017 4.623 4.640 -0.000 0.000 0.458 496 D C 0.730 177.120 176.300 0.150 0.000 0.958 496 D CA 0.230 54.297 54.000 0.112 0.000 0.966 496 D CB -0.858 39.952 40.800 0.015 0.000 1.526 496 D HN 0.262 nan 8.370 nan 0.000 0.505 497 N N 1.095 119.939 118.700 0.239 0.000 2.416 497 N HA 0.153 4.893 4.740 -0.000 0.000 0.177 497 N C 1.483 177.167 175.510 0.291 0.000 1.036 497 N CA 1.722 54.910 53.050 0.231 0.000 0.901 497 N CB 0.685 39.325 38.487 0.255 0.000 0.976 497 N HN 0.437 nan 8.380 nan 0.000 0.444 498 G N 0.435 109.425 108.800 0.317 0.000 3.826 498 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.194 498 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.194 498 G C -0.182 174.931 174.900 0.355 0.000 2.087 498 G CA -0.063 45.248 45.100 0.351 0.000 1.230 498 G HN 0.708 nan 8.290 nan 0.000 0.393 499 V N 1.487 121.613 119.914 0.355 0.000 2.832 499 V HA 0.426 4.546 4.120 -0.000 0.000 0.299 499 V C -0.096 175.998 176.094 0.000 0.000 1.201 499 V CA 1.242 63.609 62.300 0.111 0.000 1.325 499 V CB 0.457 32.172 31.823 -0.179 0.000 0.871 499 V HN 0.970 nan 8.190 nan 0.000 0.509 500 T N 6.910 121.497 114.554 0.055 0.000 3.038 500 T HA 0.468 4.818 4.350 -0.000 0.000 0.344 500 T C -2.681 172.115 174.700 0.160 0.000 1.054 500 T CA -0.726 61.433 62.100 0.099 0.000 1.092 500 T CB 1.401 70.349 68.868 0.133 0.000 1.031 500 T HN 0.681 nan 8.240 nan 0.000 0.482 501 P HA 0.465 nan 4.420 nan 0.000 0.274 501 P C -1.149 176.329 177.300 0.297 0.000 1.231 501 P CA -0.353 62.832 63.100 0.142 0.000 0.790 501 P CB 0.364 32.115 31.700 0.086 0.000 0.951 502 Y N 0.447 120.839 120.300 0.153 0.000 2.677 502 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 502 Y C -1.799 174.234 175.900 0.221 0.000 1.196 502 Y CA -1.665 56.510 58.100 0.124 0.000 1.059 502 Y CB 0.926 39.408 38.460 0.036 0.000 1.315 502 Y HN 0.437 nan 8.280 nan 0.000 0.455 503 F N 0.064 120.171 119.950 0.262 0.000 2.719 503 F HA 0.882 5.408 4.527 -0.000 0.000 0.309 503 F C -1.301 174.647 175.800 0.248 0.000 1.138 503 F CA -0.376 57.725 58.000 0.169 0.000 0.943 503 F CB 1.633 40.692 39.000 0.099 0.000 1.304 503 F HN 1.219 nan 8.300 nan 0.000 0.445 504 S N 1.178 117.070 115.700 0.321 0.000 2.611 504 S HA 0.600 5.070 4.470 -0.000 0.000 0.270 504 S C -2.433 172.292 174.600 0.209 0.000 1.131 504 S CA -0.836 57.462 58.200 0.165 0.000 0.826 504 S CB 1.532 64.744 63.200 0.019 0.000 1.095 504 S HN 1.669 nan 8.310 nan 0.000 0.461 505 Y N 0.941 121.197 120.300 -0.073 0.000 2.425 505 Y HA 0.787 5.337 4.550 -0.000 0.000 0.344 505 Y C -0.532 175.081 175.900 -0.478 0.000 0.969 505 Y CA -0.122 57.788 58.100 -0.317 0.000 1.052 505 Y CB 2.099 40.342 38.460 -0.361 0.000 1.215 505 Y HN 1.107 nan 8.280 nan 0.000 0.451 506 S N 4.043 119.002 115.700 -1.235 0.000 2.556 506 S HA 0.609 5.078 4.470 -0.000 0.000 0.271 506 S C -1.763 172.214 174.600 -1.038 0.000 1.135 506 S CA -0.711 56.902 58.200 -0.979 0.000 0.858 506 S CB 1.339 64.222 63.200 -0.528 0.000 1.114 506 S HN 0.797 nan 8.310 nan 0.000 0.468 507 E N 0.947 120.701 120.200 -0.743 0.000 2.336 507 E HA 0.707 5.056 4.350 -0.000 0.000 0.267 507 E C -1.283 175.132 176.600 -0.309 0.000 0.906 507 E CA -1.003 55.096 56.400 -0.501 0.000 0.781 507 E CB 2.064 31.537 29.700 -0.378 0.000 1.261 507 E HN 0.634 nan 8.360 nan 0.000 0.436 508 S N 0.619 116.188 115.700 -0.218 0.000 2.556 508 S HA 0.755 5.225 4.470 -0.000 0.000 0.271 508 S C -1.129 173.437 174.600 -0.057 0.000 1.135 508 S CA -0.999 57.101 58.200 -0.167 0.000 0.858 508 S CB 0.946 63.993 63.200 -0.256 0.000 1.114 508 S HN 0.548 nan 8.310 nan 0.000 0.468 509 F N -0.520 119.344 119.950 -0.144 0.000 2.613 509 F HA 0.905 5.432 4.527 -0.000 0.000 0.314 509 F C -0.808 174.940 175.800 -0.086 0.000 1.075 509 F CA -0.793 57.143 58.000 -0.107 0.000 0.945 509 F CB 1.770 40.712 39.000 -0.097 0.000 1.310 509 F HN 0.840 nan 8.300 nan 0.000 0.467 510 E N 3.181 123.299 120.200 -0.136 0.000 2.313 510 E HA 0.426 4.776 4.350 -0.000 0.000 0.280 510 E C -3.034 173.593 176.600 0.046 0.000 0.898 510 E CA -2.278 53.997 56.400 -0.208 0.000 0.803 510 E CB 2.324 31.914 29.700 -0.183 0.000 1.286 510 E HN 0.400 nan 8.360 nan 0.000 0.401 511 P HA 0.033 nan 4.420 nan 0.000 0.269 511 P C -0.817 176.547 177.300 0.107 0.000 1.215 511 P CA -0.207 62.984 63.100 0.151 0.000 0.780 511 P CB 1.184 32.983 31.700 0.165 0.000 0.898 512 S N 0.424 116.208 115.700 0.140 0.000 2.693 512 S HA 0.417 4.886 4.470 -0.000 0.000 0.276 512 S C 0.903 175.594 174.600 0.152 0.000 1.192 512 S CA 0.145 58.443 58.200 0.163 0.000 0.994 512 S CB 0.250 63.611 63.200 0.268 0.000 1.012 512 S HN 0.481 nan 8.310 nan 0.000 0.550 513 S N 0.990 116.785 115.700 0.159 0.000 2.687 513 S HA 0.287 4.757 4.470 -0.000 0.000 0.247 513 S C -0.127 174.560 174.600 0.145 0.000 1.050 513 S CA -0.529 57.744 58.200 0.122 0.000 1.063 513 S CB 0.018 63.274 63.200 0.093 0.000 1.039 513 S HN 0.631 nan 8.310 nan 0.000 0.580 514 Q N 1.730 121.678 119.800 0.247 0.000 2.354 514 Q HA 0.480 4.820 4.340 -0.000 0.000 0.244 514 Q C -0.480 175.591 176.000 0.119 0.000 0.969 514 Q CA -0.208 55.778 55.803 0.305 0.000 0.885 514 Q CB 1.681 30.726 28.738 0.513 0.000 1.241 514 Q HN 0.288 nan 8.270 nan 0.000 0.461 515 V N 1.039 120.951 119.914 -0.004 0.000 2.459 515 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 515 V C 0.220 176.084 176.094 -0.383 0.000 1.029 515 V CA -0.221 61.906 62.300 -0.288 0.000 0.874 515 V CB 1.379 33.149 31.823 -0.088 0.000 0.985 515 V HN 0.818 nan 8.190 nan 0.000 0.438 516 G N 4.156 112.409 108.800 -0.912 0.000 2.553 516 G HA2 0.172 4.132 3.960 -0.000 0.000 0.278 516 G HA3 0.172 4.132 3.960 -0.000 0.000 0.278 516 G C 0.476 175.017 174.900 -0.598 0.000 1.349 516 G CA 0.073 44.842 45.100 -0.551 0.000 1.037 516 G HN 0.936 nan 8.290 nan 0.000 0.508 517 K N -0.432 119.525 120.400 -0.740 0.000 2.283 517 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 517 K C 1.652 177.853 176.600 -0.665 0.000 1.048 517 K CA 1.526 57.028 56.287 -1.308 0.000 0.948 517 K CB 0.010 32.089 32.500 -0.703 0.000 0.742 517 K HN 0.586 nan 8.250 nan 0.000 0.458 518 D N -0.811 119.351 120.400 -0.397 0.000 2.363 518 D HA -0.031 4.609 4.640 -0.000 0.000 0.226 518 D C 0.961 177.124 176.300 -0.228 0.000 1.020 518 D CA 0.936 54.788 54.000 -0.247 0.000 0.892 518 D CB 0.010 40.713 40.800 -0.162 0.000 0.900 518 D HN 0.335 nan 8.370 nan 0.000 0.531 519 G N 0.136 108.763 108.800 -0.289 0.000 2.136 519 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.242 519 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.242 519 G C -0.198 174.602 174.900 -0.165 0.000 0.989 519 G CA 0.114 45.099 45.100 -0.192 0.000 0.682 519 G HN 0.540 nan 8.290 nan 0.000 0.522 520 N N -0.772 117.794 118.700 -0.223 0.000 2.402 520 N HA 0.649 5.389 4.740 -0.000 0.000 0.294 520 N C -0.074 175.266 175.510 -0.285 0.000 1.203 520 N CA -1.250 51.685 53.050 -0.192 0.000 0.838 520 N CB 1.116 39.517 38.487 -0.143 0.000 1.306 520 N HN -0.055 nan 8.380 nan 0.000 0.510 521 I N 2.392 122.857 120.570 -0.175 0.000 2.471 521 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 521 I C 0.265 176.318 176.117 -0.107 0.000 1.079 521 I CA 0.038 61.251 61.300 -0.146 0.000 1.398 521 I CB -0.634 37.356 38.000 -0.017 0.000 1.403 521 I HN 0.408 nan 8.210 nan 0.000 0.530 522 F N 3.983 123.961 119.950 0.047 0.000 2.640 522 F HA 0.175 4.701 4.527 -0.000 0.000 0.329 522 F C 1.237 177.066 175.800 0.048 0.000 1.224 522 F CA 0.044 58.073 58.000 0.047 0.000 1.373 522 F CB 0.130 39.166 39.000 0.059 0.000 1.129 522 F HN 0.546 nan 8.300 nan 0.000 0.610 523 A N 1.602 124.589 122.820 0.279 0.000 2.304 523 A HA 0.550 4.869 4.320 -0.000 0.000 0.271 523 A C -2.406 175.272 177.584 0.158 0.000 1.091 523 A CA -1.599 50.537 52.037 0.165 0.000 0.812 523 A CB -0.333 18.742 19.000 0.125 0.000 1.056 523 A HN 0.456 nan 8.150 nan 0.000 0.489 524 P HA 0.142 nan 4.420 nan 0.000 0.269 524 P C -0.144 177.223 177.300 0.111 0.000 1.215 524 P CA 0.065 63.254 63.100 0.147 0.000 0.780 524 P CB 0.675 32.497 31.700 0.203 0.000 0.898 525 S N 1.531 117.282 115.700 0.086 0.000 2.646 525 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 525 S C -0.409 174.215 174.600 0.040 0.000 1.222 525 S CA -0.641 57.586 58.200 0.044 0.000 1.014 525 S CB 1.052 64.260 63.200 0.013 0.000 0.991 525 S HN 0.255 nan 8.310 nan 0.000 0.533 526 K N 0.174 120.582 120.400 0.012 0.000 2.385 526 K HA 0.642 4.962 4.320 -0.000 0.000 0.248 526 K C -0.392 176.156 176.600 -0.087 0.000 0.955 526 K CA -0.894 55.392 56.287 -0.002 0.000 0.816 526 K CB 2.310 34.834 32.500 0.039 0.000 1.250 526 K HN 0.821 nan 8.250 nan 0.000 0.434 527 G N 1.830 110.545 108.800 -0.141 0.000 2.415 527 G HA2 0.487 4.446 3.960 -0.000 0.000 0.327 527 G HA3 0.487 4.446 3.960 -0.000 0.000 0.327 527 G C -0.957 173.801 174.900 -0.236 0.000 1.182 527 G CA -0.502 44.457 45.100 -0.235 0.000 0.924 527 G HN 0.226 nan 8.290 nan 0.000 0.470 528 K N 1.601 121.867 120.400 -0.223 0.000 2.541 528 K HA 0.382 4.702 4.320 -0.000 0.000 0.250 528 K C -0.960 175.481 176.600 -0.265 0.000 0.950 528 K CA -0.637 55.488 56.287 -0.271 0.000 0.805 528 K CB 2.661 35.131 32.500 -0.050 0.000 1.166 528 K HN 0.729 nan 8.250 nan 0.000 0.430 529 Q N 2.673 122.189 119.800 -0.473 0.000 2.331 529 Q HA 0.422 4.762 4.340 -0.000 0.000 0.272 529 Q C -1.555 174.247 176.000 -0.329 0.000 1.062 529 Q CA -0.714 54.929 55.803 -0.266 0.000 0.806 529 Q CB 1.516 30.126 28.738 -0.214 0.000 1.312 529 Q HN 0.513 nan 8.270 nan 0.000 0.431 530 Y N 1.524 121.881 120.300 0.095 0.000 2.341 530 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 530 Y C -0.349 175.655 175.900 0.172 0.000 0.965 530 Y CA -0.549 57.655 58.100 0.173 0.000 1.108 530 Y CB 1.996 40.568 38.460 0.186 0.000 1.180 530 Y HN 0.632 nan 8.280 nan 0.000 0.458 531 E N 2.860 123.245 120.200 0.309 0.000 2.314 531 E HA 0.754 5.104 4.350 -0.000 0.000 0.272 531 E C -1.870 174.868 176.600 0.230 0.000 0.884 531 E CA -0.997 55.566 56.400 0.272 0.000 0.753 531 E CB 2.137 31.988 29.700 0.251 0.000 1.213 531 E HN 0.458 nan 8.360 nan 0.000 0.432 532 V N 0.130 120.105 119.914 0.103 0.000 2.971 532 V HA 1.045 5.164 4.120 -0.000 0.000 0.309 532 V C -0.294 175.632 176.094 -0.279 0.000 1.130 532 V CA 0.200 62.463 62.300 -0.061 0.000 0.964 532 V CB 1.323 33.161 31.823 0.026 0.000 1.029 532 V HN 0.882 nan 8.190 nan 0.000 0.427 533 G N 1.237 109.649 108.800 -0.647 0.000 2.356 533 G HA2 0.688 4.648 3.960 -0.000 0.000 0.294 533 G HA3 0.688 4.648 3.960 -0.000 0.000 0.294 533 G C -1.268 173.301 174.900 -0.551 0.000 1.423 533 G CA 0.081 44.869 45.100 -0.520 0.000 0.806 533 G HN 2.114 nan 8.290 nan 0.000 0.527 534 V N -2.376 117.466 119.914 -0.121 0.000 2.769 534 V HA 0.911 5.031 4.120 -0.000 0.000 0.312 534 V C -0.653 175.574 176.094 0.222 0.000 1.061 534 V CA -1.288 61.049 62.300 0.062 0.000 0.931 534 V CB 1.888 33.716 31.823 0.009 0.000 1.010 534 V HN 0.742 nan 8.190 nan 0.000 0.433 535 K N 3.371 123.934 120.400 0.271 0.000 2.450 535 K HA 0.421 4.740 4.320 -0.000 0.000 0.257 535 K C -1.779 174.948 176.600 0.210 0.000 0.953 535 K CA -0.607 55.818 56.287 0.230 0.000 0.844 535 K CB 1.910 34.520 32.500 0.183 0.000 1.103 535 K HN 0.824 nan 8.250 nan 0.000 0.429 536 Y N 3.732 124.067 120.300 0.058 0.000 2.595 536 Y HA 0.226 4.776 4.550 -0.000 0.000 0.347 536 Y C -0.779 175.145 175.900 0.040 0.000 1.025 536 Y CA -0.856 57.268 58.100 0.039 0.000 1.295 536 Y CB 0.538 39.018 38.460 0.033 0.000 1.147 536 Y HN 0.222 nan 8.280 nan 0.000 0.515 537 V N 9.495 129.294 119.914 -0.192 0.000 2.260 537 V HA 0.260 4.380 4.120 -0.000 0.000 0.263 537 V C -2.242 173.669 176.094 -0.305 0.000 1.036 537 V CA -1.646 60.494 62.300 -0.267 0.000 0.874 537 V CB 0.522 32.285 31.823 -0.100 0.000 1.116 537 V HN 0.654 nan 8.190 nan 0.000 0.454 538 P HA 0.101 nan 4.420 nan 0.000 0.271 538 P C 0.425 177.635 177.300 -0.149 0.000 1.233 538 P CA 0.195 63.111 63.100 -0.305 0.000 0.764 538 P CB 1.713 33.170 31.700 -0.404 0.000 0.825 539 E N 3.000 123.163 120.200 -0.062 0.000 2.418 539 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 539 E C 1.012 177.592 176.600 -0.033 0.000 1.026 539 E CA 1.202 57.576 56.400 -0.043 0.000 0.862 539 E CB -0.229 29.459 29.700 -0.021 0.000 0.799 539 E HN 0.457 nan 8.360 nan 0.000 0.518 540 D N -0.962 119.425 120.400 -0.021 0.000 2.389 540 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 540 D C 0.147 176.439 176.300 -0.014 0.000 1.055 540 D CA -0.054 53.940 54.000 -0.010 0.000 0.856 540 D CB 0.359 41.166 40.800 0.012 0.000 0.957 540 D HN -0.007 nan 8.370 nan 0.000 0.509 541 R N 1.208 121.691 120.500 -0.028 0.000 2.628 541 R HA 0.341 4.681 4.340 -0.000 0.000 0.288 541 R C -2.604 173.665 176.300 -0.052 0.000 0.980 541 R CA -1.743 54.342 56.100 -0.025 0.000 0.891 541 R CB 2.265 32.570 30.300 0.009 0.000 1.188 541 R HN -0.114 nan 8.270 nan 0.000 0.450 542 P HA 0.068 nan 4.420 nan 0.000 0.235 542 P C -0.683 176.600 177.300 -0.029 0.000 1.765 542 P CA 0.405 63.482 63.100 -0.039 0.000 1.034 542 P CB -0.413 31.267 31.700 -0.033 0.000 1.984 543 I N -1.486 119.048 120.570 -0.060 0.000 2.827 543 I HA 0.661 4.831 4.170 -0.000 0.000 0.298 543 I C -1.594 174.455 176.117 -0.113 0.000 1.235 543 I CA -1.437 59.837 61.300 -0.043 0.000 1.021 543 I CB 2.691 40.692 38.000 0.003 0.000 1.259 543 I HN -0.289 nan 8.210 nan 0.000 0.427 544 V N 4.923 124.811 119.914 -0.045 0.000 2.760 544 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 544 V C -0.606 175.515 176.094 0.046 0.000 1.077 544 V CA -0.649 61.620 62.300 -0.051 0.000 0.910 544 V CB 2.091 33.898 31.823 -0.026 0.000 1.008 544 V HN 0.625 nan 8.190 nan 0.000 0.424 545 V N 2.785 122.755 119.914 0.093 0.000 2.668 545 V HA 0.693 4.812 4.120 -0.000 0.000 0.304 545 V C -0.331 175.864 176.094 0.168 0.000 1.071 545 V CA -0.202 62.197 62.300 0.165 0.000 0.894 545 V CB 2.327 34.302 31.823 0.254 0.000 1.008 545 V HN 0.978 nan 8.190 nan 0.000 0.425 546 T N 2.858 117.500 114.554 0.147 0.000 2.907 546 T HA 0.878 5.228 4.350 -0.000 0.000 0.292 546 T C -0.326 174.469 174.700 0.159 0.000 1.043 546 T CA 0.062 62.258 62.100 0.161 0.000 1.003 546 T CB 1.822 70.776 68.868 0.142 0.000 1.084 546 T HN 1.129 nan 8.240 nan 0.000 0.483 547 G N 0.817 109.718 108.800 0.169 0.000 2.706 547 G HA2 0.808 4.768 3.960 -0.000 0.000 0.297 547 G HA3 0.808 4.768 3.960 -0.000 0.000 0.297 547 G C -1.474 173.510 174.900 0.140 0.000 1.403 547 G CA -0.201 44.985 45.100 0.143 0.000 0.954 547 G HN 1.089 nan 8.290 nan 0.000 0.500 548 A N -0.151 122.757 122.820 0.146 0.000 2.594 548 A HA 0.813 5.132 4.320 -0.000 0.000 0.296 548 A C -1.645 176.048 177.584 0.182 0.000 1.056 548 A CA -0.328 51.794 52.037 0.141 0.000 0.693 548 A CB 1.681 20.823 19.000 0.237 0.000 1.278 548 A HN 2.146 nan 8.150 nan 0.000 0.408 549 V N 2.707 122.708 119.914 0.145 0.000 2.735 549 V HA 0.946 5.066 4.120 -0.000 0.000 0.310 549 V C -1.470 174.726 176.094 0.169 0.000 1.061 549 V CA -0.528 61.836 62.300 0.108 0.000 0.913 549 V CB 1.793 33.637 31.823 0.035 0.000 1.005 549 V HN 1.686 nan 8.190 nan 0.000 0.428 550 Y N 3.360 123.712 120.300 0.086 0.000 2.597 550 Y HA 0.614 5.164 4.550 -0.000 0.000 0.340 550 Y C -1.005 174.954 175.900 0.099 0.000 1.097 550 Y CA -1.242 56.915 58.100 0.094 0.000 1.037 550 Y CB 1.687 40.191 38.460 0.073 0.000 1.305 550 Y HN 0.587 nan 8.280 nan 0.000 0.463 551 N N 2.617 121.479 118.700 0.270 0.000 2.531 551 N HA 0.351 5.091 4.740 -0.000 0.000 0.268 551 N C -2.315 173.379 175.510 0.307 0.000 1.023 551 N CA -0.318 52.861 53.050 0.214 0.000 0.896 551 N CB 1.596 40.200 38.487 0.195 0.000 1.233 551 N HN 0.815 nan 8.380 nan 0.000 0.512 552 L N 3.188 124.603 121.223 0.319 0.000 2.313 552 L HA 0.568 4.908 4.340 -0.000 0.000 0.283 552 L C -0.768 176.183 176.870 0.135 0.000 1.013 552 L CA -0.027 54.926 54.840 0.189 0.000 0.816 552 L CB 1.624 43.803 42.059 0.199 0.000 1.236 552 L HN 0.334 nan 8.230 nan 0.000 0.419 553 T N 4.927 119.501 114.554 0.034 0.000 2.841 553 T HA 0.347 4.697 4.350 -0.000 0.000 0.285 553 T C -0.830 173.828 174.700 -0.070 0.000 0.991 553 T CA -0.605 61.520 62.100 0.042 0.000 0.966 553 T CB 1.213 70.136 68.868 0.092 0.000 0.962 553 T HN 0.522 nan 8.240 nan 0.000 0.438 554 K N 3.263 123.631 120.400 -0.053 0.000 2.263 554 K HA 0.491 4.811 4.320 -0.000 0.000 0.272 554 K C 0.008 176.617 176.600 0.016 0.000 1.033 554 K CA -0.494 55.728 56.287 -0.109 0.000 0.884 554 K CB 0.589 32.999 32.500 -0.149 0.000 1.107 554 K HN 0.757 nan 8.250 nan 0.000 0.460 555 T N 1.091 115.650 114.554 0.007 0.000 2.945 555 T HA 0.264 4.614 4.350 -0.000 0.000 0.286 555 T C 0.240 174.963 174.700 0.038 0.000 1.025 555 T CA -0.603 61.522 62.100 0.041 0.000 1.039 555 T CB 1.061 69.959 68.868 0.050 0.000 1.068 555 T HN 0.770 nan 8.240 nan 0.000 0.497 556 N N 0.293 119.020 118.700 0.044 0.000 2.780 556 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 556 N C -0.820 174.699 175.510 0.015 0.000 1.102 556 N CA 0.480 53.549 53.050 0.033 0.000 0.697 556 N CB -1.698 36.815 38.487 0.043 0.000 1.028 556 N HN 0.867 nan 8.380 nan 0.000 0.554 557 N N 0.321 119.041 118.700 0.033 0.000 2.520 557 N HA 0.262 5.001 4.740 -0.000 0.000 0.273 557 N C -0.176 175.322 175.510 -0.019 0.000 1.155 557 N CA -0.152 52.922 53.050 0.039 0.000 0.967 557 N CB 0.516 39.070 38.487 0.112 0.000 1.092 557 N HN 0.274 nan 8.380 nan 0.000 0.457 558 L N 3.795 124.972 121.223 -0.077 0.000 2.410 558 L HA 0.243 4.582 4.340 -0.000 0.000 0.273 558 L C 0.647 177.474 176.870 -0.072 0.000 1.152 558 L CA -0.079 54.645 54.840 -0.194 0.000 0.855 558 L CB 0.201 42.072 42.059 -0.313 0.000 1.129 558 L HN 0.588 nan 8.230 nan 0.000 0.463 559 M N 2.434 121.985 119.600 -0.081 0.000 2.745 559 M HA 0.786 5.266 4.480 -0.000 0.000 0.290 559 M C -0.697 175.582 176.300 -0.034 0.000 1.262 559 M CA -0.873 54.409 55.300 -0.030 0.000 0.795 559 M CB 1.896 34.479 32.600 -0.027 0.000 1.758 559 M HN 0.413 nan 8.290 nan 0.000 0.461 560 A N 1.426 124.214 122.820 -0.054 0.000 2.462 560 A HA 0.220 4.539 4.320 -0.000 0.000 0.243 560 A C -0.441 177.139 177.584 -0.007 0.000 1.076 560 A CA -0.043 51.972 52.037 -0.037 0.000 0.773 560 A CB -0.107 18.831 19.000 -0.104 0.000 1.010 560 A HN 0.817 nan 8.150 nan 0.000 0.493 561 D N 2.494 122.924 120.400 0.050 0.000 2.401 561 D HA 0.163 4.802 4.640 -0.000 0.000 0.254 561 D C -1.513 174.810 176.300 0.038 0.000 1.192 561 D CA -1.571 52.475 54.000 0.076 0.000 0.885 561 D CB 0.875 41.763 40.800 0.147 0.000 1.147 561 D HN 0.151 nan 8.370 nan 0.000 0.478 562 P HA -0.151 nan 4.420 nan 0.000 0.219 562 P C -0.178 177.131 177.300 0.015 0.000 1.145 562 P CA 1.171 64.274 63.100 0.005 0.000 0.813 562 P CB 0.091 31.797 31.700 0.010 0.000 0.771 563 E N -0.965 119.259 120.200 0.040 0.000 3.374 563 E HA 0.286 4.636 4.350 -0.000 0.000 0.223 563 E C -0.023 176.624 176.600 0.078 0.000 1.210 563 E CA -0.895 55.534 56.400 0.048 0.000 0.987 563 E CB -0.386 29.342 29.700 0.047 0.000 1.322 563 E HN 0.018 nan 8.360 nan 0.000 0.404 564 G N 2.126 110.971 108.800 0.076 0.000 2.805 564 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.342 564 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.342 564 G C 0.567 175.582 174.900 0.191 0.000 0.140 564 G CA 0.923 46.094 45.100 0.119 0.000 1.233 564 G HN 0.754 nan 8.290 nan 0.000 0.490 565 S N 1.881 117.736 115.700 0.258 0.000 2.911 565 S HA 0.343 4.813 4.470 -0.000 0.000 0.261 565 S C 0.964 175.799 174.600 0.391 0.000 1.021 565 S CA 0.799 59.186 58.200 0.313 0.000 1.222 565 S CB 0.272 63.664 63.200 0.321 0.000 1.171 565 S HN 1.487 nan 8.310 nan 0.000 0.669 566 F N -0.608 119.302 119.950 -0.068 0.000 2.571 566 F HA -0.167 4.360 4.527 -0.000 0.000 0.515 566 F C 0.040 175.666 175.800 -0.290 0.000 0.532 566 F CA 0.467 58.334 58.000 -0.221 0.000 1.158 566 F CB -1.832 36.935 39.000 -0.388 0.000 1.848 566 F HN 0.406 nan 8.300 nan 0.000 0.266 567 F N 0.250 120.353 119.950 0.256 0.000 2.399 567 F HA 0.597 5.124 4.527 -0.000 0.000 0.328 567 F C 1.017 176.939 175.800 0.204 0.000 1.084 567 F CA -0.697 57.435 58.000 0.220 0.000 1.053 567 F CB 1.250 40.362 39.000 0.186 0.000 1.209 567 F HN -0.312 nan 8.300 nan 0.000 0.502 568 S N 0.466 116.457 115.700 0.485 0.000 2.693 568 S HA 0.779 5.248 4.470 -0.000 0.000 0.276 568 S C -0.727 174.016 174.600 0.239 0.000 1.192 568 S CA -0.670 57.676 58.200 0.243 0.000 0.994 568 S CB 1.780 65.013 63.200 0.055 0.000 1.012 568 S HN 0.298 nan 8.310 nan 0.000 0.550 569 V N 1.370 121.290 119.914 0.011 0.000 2.962 569 V HA 0.425 4.545 4.120 -0.000 0.000 0.313 569 V C 0.112 176.108 176.094 -0.164 0.000 1.099 569 V CA -0.881 61.434 62.300 0.024 0.000 0.971 569 V CB 1.946 33.805 31.823 0.059 0.000 1.028 569 V HN 1.032 nan 8.190 nan 0.000 0.430 570 E N 1.642 121.775 120.200 -0.112 0.000 3.099 570 E HA 0.656 5.006 4.350 -0.000 0.000 0.259 570 E C 0.911 177.496 176.600 -0.026 0.000 1.274 570 E CA -0.078 56.245 56.400 -0.127 0.000 1.111 570 E CB 0.767 30.436 29.700 -0.051 0.000 1.327 570 E HN 1.162 nan 8.360 nan 0.000 0.652 571 G N -0.997 107.804 108.800 0.001 0.000 2.199 571 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.254 571 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.254 571 G C 0.558 175.477 174.900 0.032 0.000 0.982 571 G CA 0.031 45.146 45.100 0.025 0.000 0.632 571 G HN 0.838 nan 8.290 nan 0.000 0.529 572 G N -0.455 108.361 108.800 0.027 0.000 2.667 572 G HA2 0.492 4.451 3.960 -0.000 0.000 0.250 572 G HA3 0.492 4.451 3.960 -0.000 0.000 0.250 572 G C -0.210 174.743 174.900 0.088 0.000 1.212 572 G CA 0.706 45.844 45.100 0.063 0.000 0.874 572 G HN 0.725 nan 8.290 nan 0.000 0.561 573 E N -0.929 119.346 120.200 0.126 0.000 2.352 573 E HA 0.527 4.877 4.350 -0.000 0.000 0.280 573 E C -1.359 175.334 176.600 0.153 0.000 0.930 573 E CA -0.672 55.802 56.400 0.124 0.000 0.765 573 E CB 1.929 31.687 29.700 0.097 0.000 1.219 573 E HN 0.378 nan 8.360 nan 0.000 0.434 574 I N 2.844 123.499 120.570 0.141 0.000 2.619 574 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 574 I C -0.553 175.660 176.117 0.160 0.000 1.100 574 I CA -0.803 60.553 61.300 0.093 0.000 1.043 574 I CB 2.225 40.226 38.000 0.002 0.000 1.239 574 I HN 0.378 nan 8.210 nan 0.000 0.420 575 R N 4.348 124.896 120.500 0.081 0.000 2.711 575 R HA 0.897 5.237 4.340 -0.000 0.000 0.284 575 R C -1.562 174.779 176.300 0.068 0.000 0.968 575 R CA -0.561 55.609 56.100 0.115 0.000 0.924 575 R CB 2.124 32.468 30.300 0.073 0.000 1.162 575 R HN 0.757 nan 8.270 nan 0.000 0.465 576 A N 4.837 127.751 122.820 0.158 0.000 2.385 576 A HA 0.462 4.781 4.320 -0.000 0.000 0.290 576 A C -1.122 176.518 177.584 0.093 0.000 1.094 576 A CA -0.956 51.148 52.037 0.112 0.000 0.729 576 A CB 0.881 20.029 19.000 0.246 0.000 1.194 576 A HN 0.879 nan 8.150 nan 0.000 0.442 577 R N 1.972 122.393 120.500 -0.133 0.000 2.670 577 R HA 0.884 5.223 4.340 -0.000 0.000 0.289 577 R C 0.050 176.020 176.300 -0.550 0.000 0.965 577 R CA -0.424 55.452 56.100 -0.373 0.000 0.899 577 R CB 2.088 32.285 30.300 -0.172 0.000 1.173 577 R HN 1.056 nan 8.270 nan 0.000 0.456 578 G N 0.561 108.762 108.800 -0.998 0.000 2.548 578 G HA2 0.482 4.442 3.960 -0.000 0.000 0.301 578 G HA3 0.482 4.442 3.960 -0.000 0.000 0.301 578 G C -1.764 173.007 174.900 -0.214 0.000 1.349 578 G CA -0.643 44.174 45.100 -0.472 0.000 0.792 578 G HN 0.381 nan 8.290 nan 0.000 0.481 579 V N 0.238 120.244 119.914 0.154 0.000 2.709 579 V HA 0.642 4.762 4.120 -0.000 0.000 0.308 579 V C -0.819 175.423 176.094 0.248 0.000 1.062 579 V CA -0.761 61.671 62.300 0.221 0.000 0.901 579 V CB 1.717 33.685 31.823 0.243 0.000 1.003 579 V HN 0.792 nan 8.190 nan 0.000 0.425 580 E N 4.915 125.260 120.200 0.241 0.000 2.256 580 E HA 0.723 5.073 4.350 -0.000 0.000 0.268 580 E C -1.153 175.561 176.600 0.191 0.000 0.877 580 E CA -0.678 55.837 56.400 0.191 0.000 0.757 580 E CB 3.042 32.841 29.700 0.164 0.000 1.183 580 E HN 0.755 nan 8.360 nan 0.000 0.418 581 I N -0.953 119.735 120.570 0.197 0.000 2.533 581 I HA 0.601 4.771 4.170 -0.000 0.000 0.290 581 I C -0.926 175.292 176.117 0.169 0.000 1.056 581 I CA -0.703 60.709 61.300 0.187 0.000 1.057 581 I CB 2.161 40.285 38.000 0.207 0.000 1.240 581 I HN 0.454 nan 8.210 nan 0.000 0.423 582 E N 4.636 124.923 120.200 0.144 0.000 2.266 582 E HA 0.831 5.181 4.350 -0.000 0.000 0.268 582 E C -1.622 175.057 176.600 0.131 0.000 0.879 582 E CA -1.098 55.381 56.400 0.132 0.000 0.762 582 E CB 2.461 32.223 29.700 0.103 0.000 1.199 582 E HN 0.928 nan 8.360 nan 0.000 0.422 583 A N 3.982 126.884 122.820 0.136 0.000 2.408 583 A HA 0.561 4.880 4.320 -0.000 0.000 0.295 583 A C -1.366 176.294 177.584 0.127 0.000 1.040 583 A CA -0.753 51.361 52.037 0.129 0.000 0.707 583 A CB 1.203 20.283 19.000 0.132 0.000 1.235 583 A HN 0.516 nan 8.150 nan 0.000 0.418 584 K N 0.917 121.381 120.400 0.107 0.000 2.471 584 K HA 0.788 5.108 4.320 -0.000 0.000 0.252 584 K C -0.829 175.824 176.600 0.089 0.000 0.938 584 K CA -0.361 55.991 56.287 0.107 0.000 0.796 584 K CB 2.486 35.039 32.500 0.088 0.000 1.161 584 K HN 1.149 nan 8.250 nan 0.000 0.425 585 A N 1.218 124.099 122.820 0.100 0.000 2.605 585 A HA 0.719 5.039 4.320 -0.000 0.000 0.294 585 A C -1.714 175.915 177.584 0.076 0.000 1.062 585 A CA -0.783 51.299 52.037 0.076 0.000 0.682 585 A CB 1.579 20.625 19.000 0.076 0.000 1.278 585 A HN 0.652 nan 8.150 nan 0.000 0.410 586 A N 1.569 124.418 122.820 0.047 0.000 2.582 586 A HA 0.551 4.871 4.320 -0.000 0.000 0.336 586 A C 0.732 178.330 177.584 0.023 0.000 1.445 586 A CA -0.416 51.639 52.037 0.031 0.000 0.997 586 A CB -0.761 18.237 19.000 -0.003 0.000 1.148 586 A HN 0.944 nan 8.150 nan 0.000 0.514 587 L N 1.298 122.541 121.223 0.034 0.000 2.261 587 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 587 L C 1.368 178.250 176.870 0.020 0.000 1.114 587 L CA 1.440 56.299 54.840 0.032 0.000 0.777 587 L CB -0.479 41.603 42.059 0.039 0.000 0.910 587 L HN 0.872 nan 8.230 nan 0.000 0.440 588 S N -3.143 112.560 115.700 0.004 0.000 2.815 588 S HA 0.521 4.991 4.470 -0.000 0.000 0.296 588 S C 0.279 174.845 174.600 -0.057 0.000 1.224 588 S CA -0.216 57.975 58.200 -0.014 0.000 0.938 588 S CB 1.329 64.536 63.200 0.012 0.000 1.285 588 S HN -0.121 nan 8.310 nan 0.000 0.549 589 A N 0.547 123.311 122.820 -0.093 0.000 2.169 589 A HA 0.349 4.669 4.320 -0.000 0.000 0.212 589 A C 1.601 179.091 177.584 -0.157 0.000 1.153 589 A CA 1.262 53.191 52.037 -0.179 0.000 0.756 589 A CB -0.790 18.055 19.000 -0.258 0.000 0.813 589 A HN 1.423 nan 8.150 nan 0.000 0.471 590 S N -2.065 113.570 115.700 -0.109 0.000 2.733 590 S HA 0.387 4.857 4.470 -0.000 0.000 0.247 590 S C -0.157 174.281 174.600 -0.271 0.000 1.043 590 S CA -0.128 57.978 58.200 -0.157 0.000 1.066 590 S CB 0.323 63.251 63.200 -0.453 0.000 1.045 590 S HN 0.052 nan 8.310 nan 0.000 0.586 591 V N 3.458 123.315 119.914 -0.094 0.000 2.407 591 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 591 V C -1.139 174.971 176.094 0.027 0.000 1.018 591 V CA -0.712 61.589 62.300 0.002 0.000 0.842 591 V CB 1.438 33.311 31.823 0.084 0.000 0.996 591 V HN 0.350 nan 8.190 nan 0.000 0.426 592 N N 3.157 121.892 118.700 0.058 0.000 2.314 592 N HA 0.759 5.499 4.740 -0.000 0.000 0.304 592 N C -0.875 174.698 175.510 0.105 0.000 1.073 592 N CA -0.328 52.800 53.050 0.130 0.000 0.822 592 N CB 2.814 41.475 38.487 0.291 0.000 1.280 592 N HN 0.580 nan 8.380 nan 0.000 0.489 593 V N -1.234 118.768 119.914 0.146 0.000 2.841 593 V HA 0.812 4.932 4.120 -0.000 0.000 0.310 593 V C -0.771 175.452 176.094 0.215 0.000 1.090 593 V CA -0.683 61.705 62.300 0.147 0.000 0.930 593 V CB 1.774 33.641 31.823 0.073 0.000 1.014 593 V HN 0.277 nan 8.190 nan 0.000 0.425 594 V N 2.634 122.707 119.914 0.265 0.000 2.888 594 V HA 1.047 5.167 4.120 -0.000 0.000 0.309 594 V C 0.467 176.700 176.094 0.232 0.000 1.114 594 V CA 0.428 62.857 62.300 0.215 0.000 0.940 594 V CB 1.697 33.621 31.823 0.169 0.000 1.021 594 V HN 1.631 nan 8.190 nan 0.000 0.426 595 G N 1.871 110.812 108.800 0.235 0.000 2.506 595 G HA2 0.781 4.741 3.960 -0.000 0.000 0.292 595 G HA3 0.781 4.741 3.960 -0.000 0.000 0.292 595 G C -1.068 173.972 174.900 0.233 0.000 1.425 595 G CA 0.176 45.450 45.100 0.289 0.000 0.788 595 G HN 1.348 nan 8.290 nan 0.000 0.490 596 S N -1.441 114.399 115.700 0.234 0.000 2.643 596 S HA 0.819 5.289 4.470 -0.000 0.000 0.270 596 S C -1.828 172.921 174.600 0.247 0.000 1.166 596 S CA -0.847 57.474 58.200 0.202 0.000 0.815 596 S CB 2.081 65.367 63.200 0.143 0.000 1.139 596 S HN 2.061 nan 8.310 nan 0.000 0.472 597 Y N 0.172 120.544 120.300 0.120 0.000 2.479 597 Y HA 0.653 5.203 4.550 -0.000 0.000 0.338 597 Y C -1.421 174.566 175.900 0.145 0.000 1.055 597 Y CA -0.159 58.020 58.100 0.132 0.000 1.023 597 Y CB 2.155 40.686 38.460 0.118 0.000 1.287 597 Y HN 0.955 nan 8.280 nan 0.000 0.447 598 T N 5.922 119.970 114.554 -0.844 0.000 2.886 598 T HA 0.317 4.667 4.350 -0.000 0.000 0.292 598 T C -2.214 172.143 174.700 -0.571 0.000 1.012 598 T CA -0.518 61.283 62.100 -0.499 0.000 0.982 598 T CB 1.109 69.849 68.868 -0.214 0.000 1.018 598 T HN 0.478 nan 8.240 nan 0.000 0.451 599 Y N 2.341 122.460 120.300 -0.302 0.000 2.326 599 Y HA 0.554 5.104 4.550 -0.000 0.000 0.331 599 Y C -0.710 175.128 175.900 -0.103 0.000 0.962 599 Y CA -0.640 57.387 58.100 -0.121 0.000 1.167 599 Y CB 1.164 39.697 38.460 0.123 0.000 1.148 599 Y HN 0.607 nan 8.280 nan 0.000 0.463 600 T N 6.095 120.250 114.554 -0.666 0.000 2.809 600 T HA 0.184 4.534 4.350 -0.000 0.000 0.284 600 T C -1.247 173.032 174.700 -0.703 0.000 0.992 600 T CA -0.740 61.039 62.100 -0.535 0.000 0.957 600 T CB 0.958 69.657 68.868 -0.281 0.000 0.942 600 T HN 0.629 nan 8.240 nan 0.000 0.439 601 D N 3.023 123.076 120.400 -0.578 0.000 2.460 601 D HA 0.422 5.062 4.640 -0.000 0.000 0.268 601 D C -0.429 175.721 176.300 -0.251 0.000 1.153 601 D CA -0.468 53.284 54.000 -0.414 0.000 0.929 601 D CB 0.570 41.181 40.800 -0.315 0.000 1.015 601 D HN 0.629 nan 8.370 nan 0.000 0.502 602 A N 3.250 125.916 122.820 -0.256 0.000 2.301 602 A HA 0.548 4.868 4.320 -0.000 0.000 0.298 602 A C -0.069 177.365 177.584 -0.249 0.000 1.185 602 A CA -0.481 51.398 52.037 -0.263 0.000 0.830 602 A CB 0.953 19.738 19.000 -0.358 0.000 1.112 602 A HN 0.614 nan 8.150 nan 0.000 0.508 603 E N 1.525 121.592 120.200 -0.222 0.000 2.343 603 E HA 0.425 4.774 4.350 -0.000 0.000 0.278 603 E C -1.904 174.614 176.600 -0.136 0.000 0.910 603 E CA -0.597 55.705 56.400 -0.163 0.000 0.757 603 E CB 1.176 30.833 29.700 -0.071 0.000 1.218 603 E HN 0.591 nan 8.360 nan 0.000 0.435 604 Y N 2.850 123.115 120.300 -0.058 0.000 2.584 604 Y HA 0.089 4.638 4.550 -0.000 0.000 0.351 604 Y C 1.373 177.278 175.900 0.009 0.000 1.030 604 Y CA 0.413 58.508 58.100 -0.009 0.000 1.332 604 Y CB 1.178 39.649 38.460 0.017 0.000 1.148 604 Y HN 0.605 nan 8.280 nan 0.000 0.528 605 T N 1.219 115.870 114.554 0.161 0.000 2.770 605 T HA -0.018 4.332 4.350 -0.000 0.000 0.258 605 T C 0.357 175.121 174.700 0.107 0.000 1.039 605 T CA 1.268 63.434 62.100 0.109 0.000 1.143 605 T CB 0.082 69.003 68.868 0.088 0.000 0.866 605 T HN 0.450 nan 8.240 nan 0.000 0.428 606 T N 2.461 117.089 114.554 0.123 0.000 2.840 606 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 606 T C -1.287 173.469 174.700 0.092 0.000 0.991 606 T CA -0.774 61.377 62.100 0.086 0.000 0.964 606 T CB 1.694 70.603 68.868 0.068 0.000 0.954 606 T HN 0.116 nan 8.240 nan 0.000 0.438 607 D N 1.493 121.911 120.400 0.031 0.000 2.787 607 D HA 0.143 4.782 4.640 -0.000 0.000 0.215 607 D C 0.688 176.916 176.300 -0.121 0.000 1.246 607 D CA -0.333 53.644 54.000 -0.038 0.000 0.798 607 D CB 2.323 43.080 40.800 -0.073 0.000 1.649 607 D HN 0.349 nan 8.370 nan 0.000 0.507 608 T N 1.441 115.903 114.554 -0.153 0.000 2.569 608 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 608 T C 1.663 176.193 174.700 -0.283 0.000 1.074 608 T CA 1.880 63.876 62.100 -0.173 0.000 1.176 608 T CB -0.204 68.576 68.868 -0.145 0.000 0.863 608 T HN 0.449 nan 8.240 nan 0.000 0.410 609 T N 0.458 114.702 114.554 -0.516 0.000 3.014 609 T HA 0.135 4.485 4.350 -0.000 0.000 0.263 609 T C 0.146 174.331 174.700 -0.859 0.000 1.078 609 T CA 0.728 62.381 62.100 -0.745 0.000 1.135 609 T CB -0.144 68.095 68.868 -1.048 0.000 0.895 609 T HN 0.316 nan 8.240 nan 0.000 0.480 610 Y N 0.570 120.699 120.300 -0.284 0.000 2.675 610 Y HA 0.768 5.318 4.550 -0.000 0.000 0.328 610 Y C -0.025 175.732 175.900 -0.237 0.000 1.092 610 Y CA -2.167 55.719 58.100 -0.357 0.000 1.190 610 Y CB 0.913 38.894 38.460 -0.798 0.000 1.350 610 Y HN -0.212 nan 8.280 nan 0.000 0.525 611 K N -0.960 119.455 120.400 0.024 0.000 2.795 611 K HA 0.419 4.739 4.320 -0.000 0.000 0.303 611 K C -0.089 176.552 176.600 0.069 0.000 1.196 611 K CA 0.594 56.917 56.287 0.061 0.000 1.033 611 K CB 0.209 32.714 32.500 0.007 0.000 1.375 611 K HN 1.042 nan 8.250 nan 0.000 0.420 612 G N 2.051 110.904 108.800 0.089 0.000 2.284 612 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 612 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 612 G C -0.035 174.867 174.900 0.005 0.000 0.997 612 G CA 0.493 45.615 45.100 0.037 0.000 0.621 612 G HN 0.603 nan 8.290 nan 0.000 0.534 613 N N 1.295 120.028 118.700 0.055 0.000 2.482 613 N HA 0.504 5.244 4.740 -0.000 0.000 0.260 613 N C 0.569 176.056 175.510 -0.038 0.000 1.236 613 N CA 0.848 53.873 53.050 -0.041 0.000 0.938 613 N CB 0.972 39.469 38.487 0.017 0.000 1.128 613 N HN 0.586 nan 8.380 nan 0.000 0.448 614 T N -1.501 112.865 114.554 -0.313 0.000 2.829 614 T HA 0.482 4.831 4.350 -0.000 0.000 0.282 614 T C -2.635 171.887 174.700 -0.297 0.000 0.990 614 T CA -1.933 59.980 62.100 -0.312 0.000 1.028 614 T CB 1.620 70.322 68.868 -0.277 0.000 0.951 614 T HN 0.234 nan 8.240 nan 0.000 0.460 615 P HA 0.253 nan 4.420 nan 0.000 0.269 615 P C 0.083 177.268 177.300 -0.191 0.000 1.215 615 P CA -0.315 62.601 63.100 -0.307 0.000 0.780 615 P CB 0.278 31.682 31.700 -0.493 0.000 0.898 616 A N 2.492 125.231 122.820 -0.136 0.000 2.448 616 A HA 0.003 4.323 4.320 -0.000 0.000 0.239 616 A C 0.973 178.502 177.584 -0.092 0.000 1.080 616 A CA 0.314 52.289 52.037 -0.103 0.000 0.779 616 A CB -0.739 18.195 19.000 -0.109 0.000 1.026 616 A HN 0.707 nan 8.150 nan 0.000 0.499 617 Q N -2.473 117.276 119.800 -0.085 0.000 2.305 617 Q HA -0.188 4.152 4.340 -0.000 0.000 0.203 617 Q C -0.044 175.902 176.000 -0.089 0.000 0.663 617 Q CA 1.063 56.830 55.803 -0.060 0.000 1.389 617 Q CB -2.109 26.631 28.738 0.003 0.000 1.566 617 Q HN 1.187 nan 8.270 nan 0.000 0.755 618 V N 1.519 121.360 119.914 -0.121 0.000 2.326 618 V HA 0.472 4.591 4.120 -0.000 0.000 0.281 618 V C -2.093 173.907 176.094 -0.158 0.000 1.015 618 V CA -2.039 60.168 62.300 -0.155 0.000 0.823 618 V CB 1.310 33.008 31.823 -0.207 0.000 1.009 618 V HN 0.030 nan 8.190 nan 0.000 0.436 619 P HA 0.197 nan 4.420 nan 0.000 0.272 619 P C 0.068 177.227 177.300 -0.236 0.000 1.230 619 P CA -0.223 62.756 63.100 -0.201 0.000 0.788 619 P CB 1.499 33.057 31.700 -0.237 0.000 0.949 620 K N 0.129 120.372 120.400 -0.263 0.000 2.137 620 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 620 K C 0.536 176.812 176.600 -0.539 0.000 1.052 620 K CA 0.805 56.820 56.287 -0.453 0.000 0.961 620 K CB 0.118 32.347 32.500 -0.451 0.000 0.741 620 K HN 0.576 nan 8.250 nan 0.000 0.452 621 H N -0.436 118.627 119.070 -0.011 0.000 2.529 621 H HA 0.377 4.933 4.556 -0.000 0.000 0.348 621 H C -0.653 174.640 175.328 -0.058 0.000 1.079 621 H CA -0.381 55.706 56.048 0.065 0.000 1.198 621 H CB 1.503 31.456 29.762 0.318 0.000 1.521 621 H HN 0.023 nan 8.280 nan 0.000 0.514 622 M N 1.485 121.077 119.600 -0.014 0.000 2.484 622 M HA 0.682 5.162 4.480 -0.000 0.000 0.289 622 M C -0.999 175.318 176.300 0.029 0.000 1.206 622 M CA -0.770 54.491 55.300 -0.065 0.000 0.892 622 M CB 3.215 35.724 32.600 -0.153 0.000 1.712 622 M HN 0.722 nan 8.290 nan 0.000 0.462 623 A N 1.333 124.250 122.820 0.162 0.000 2.599 623 A HA 0.880 5.200 4.320 -0.000 0.000 0.294 623 A C -1.323 176.377 177.584 0.194 0.000 1.055 623 A CA -0.578 51.600 52.037 0.236 0.000 0.683 623 A CB 1.699 20.955 19.000 0.426 0.000 1.278 623 A HN 0.894 nan 8.150 nan 0.000 0.412 624 S N -0.102 115.713 115.700 0.191 0.000 2.550 624 S HA 0.842 5.312 4.470 -0.000 0.000 0.270 624 S C -1.490 173.315 174.600 0.341 0.000 1.145 624 S CA -0.631 57.688 58.200 0.200 0.000 0.852 624 S CB 1.496 64.684 63.200 -0.020 0.000 1.119 624 S HN 2.200 nan 8.310 nan 0.000 0.465 625 L N 1.088 122.582 121.223 0.452 0.000 2.505 625 L HA 0.881 5.221 4.340 -0.000 0.000 0.259 625 L C -2.282 174.874 176.870 0.477 0.000 0.952 625 L CA -0.029 55.054 54.840 0.405 0.000 0.840 625 L CB 2.018 44.221 42.059 0.239 0.000 1.358 625 L HN 1.025 nan 8.230 nan 0.000 0.409 626 W N 4.828 126.165 121.300 0.060 0.000 3.138 626 W HA 0.836 5.496 4.660 -0.000 0.000 0.331 626 W C -1.544 174.951 176.519 -0.040 0.000 1.166 626 W CA -0.113 57.177 57.345 -0.090 0.000 1.212 626 W CB 2.113 31.213 29.460 -0.600 0.000 1.399 626 W HN 0.861 nan 8.180 nan 0.000 0.514 627 A N 4.622 126.864 122.820 -0.964 0.000 2.515 627 A HA 0.711 5.031 4.320 -0.000 0.000 0.298 627 A C -1.578 175.224 177.584 -1.304 0.000 1.059 627 A CA -0.625 50.901 52.037 -0.852 0.000 0.698 627 A CB 1.691 20.479 19.000 -0.354 0.000 1.289 627 A HN 0.585 nan 8.150 nan 0.000 0.404 628 D N -0.174 119.721 120.400 -0.843 0.000 2.645 628 D HA 0.519 5.159 4.640 -0.000 0.000 0.228 628 D C -1.658 174.582 176.300 -0.099 0.000 1.148 628 D CA -0.255 53.445 54.000 -0.500 0.000 0.860 628 D CB 1.851 42.457 40.800 -0.322 0.000 1.548 628 D HN 0.420 nan 8.370 nan 0.000 0.460 629 Y N 0.139 120.327 120.300 -0.185 0.000 2.373 629 Y HA 0.423 4.972 4.550 -0.000 0.000 0.336 629 Y C -1.051 174.712 175.900 -0.229 0.000 0.979 629 Y CA -0.222 57.751 58.100 -0.212 0.000 1.080 629 Y CB 2.286 40.549 38.460 -0.328 0.000 1.190 629 Y HN 0.368 nan 8.280 nan 0.000 0.446 630 T N 6.475 120.651 114.554 -0.631 0.000 2.829 630 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 630 T C -1.221 172.983 174.700 -0.827 0.000 0.999 630 T CA -0.413 61.366 62.100 -0.536 0.000 0.983 630 T CB 0.579 69.207 68.868 -0.400 0.000 0.968 630 T HN 0.319 nan 8.240 nan 0.000 0.446 631 F N 2.548 122.230 119.950 -0.447 0.000 2.391 631 F HA 0.440 4.967 4.527 -0.000 0.000 0.359 631 F C 0.165 175.695 175.800 -0.450 0.000 1.122 631 F CA -1.403 56.440 58.000 -0.262 0.000 1.120 631 F CB 0.466 39.459 39.000 -0.010 0.000 1.142 631 F HN 0.582 nan 8.300 nan 0.000 0.483 632 F N 0.982 121.043 119.950 0.184 0.000 2.735 632 F HA 0.266 4.793 4.527 -0.000 0.000 0.304 632 F C 0.477 176.346 175.800 0.115 0.000 1.119 632 F CA -0.482 57.579 58.000 0.101 0.000 1.280 632 F CB -0.285 38.726 39.000 0.018 0.000 0.994 632 F HN 0.315 nan 8.300 nan 0.000 0.520 633 D N -0.214 120.362 120.400 0.293 0.000 3.161 633 D HA 0.315 4.955 4.640 -0.000 0.000 0.224 633 D C 1.760 178.120 176.300 0.100 0.000 1.180 633 D CA 0.276 54.395 54.000 0.199 0.000 1.207 633 D CB -0.754 40.183 40.800 0.228 0.000 1.008 633 D HN 0.033 nan 8.370 nan 0.000 0.316 634 G N 0.566 109.388 108.800 0.036 0.000 2.199 634 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.364 634 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.364 634 G C -1.378 173.508 174.900 -0.023 0.000 1.465 634 G CA 0.332 45.425 45.100 -0.013 0.000 1.049 634 G HN 0.328 nan 8.290 nan 0.000 0.522 635 P HA 0.056 nan 4.420 nan 0.000 0.242 635 P C 0.969 178.234 177.300 -0.058 0.000 1.197 635 P CA 0.683 63.758 63.100 -0.041 0.000 0.765 635 P CB 0.080 31.747 31.700 -0.055 0.000 0.936 636 L N -0.437 120.708 121.223 -0.129 0.000 2.848 636 L HA 0.202 4.541 4.340 -0.000 0.000 0.240 636 L C 1.028 177.922 176.870 0.040 0.000 1.232 636 L CA -0.328 54.424 54.840 -0.146 0.000 1.031 636 L CB -0.182 41.577 42.059 -0.500 0.000 1.338 636 L HN -0.094 nan 8.230 nan 0.000 0.509 637 S N 0.232 115.988 115.700 0.093 0.000 2.549 637 S HA 0.343 4.813 4.470 -0.000 0.000 0.283 637 S C 1.328 176.021 174.600 0.155 0.000 1.320 637 S CA 0.693 58.963 58.200 0.117 0.000 1.058 637 S CB 0.681 63.942 63.200 0.101 0.000 0.882 637 S HN 0.710 nan 8.310 nan 0.000 0.498 638 G N 2.680 111.472 108.800 -0.013 0.000 2.148 638 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 638 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 638 G C -0.189 174.769 174.900 0.097 0.000 0.981 638 G CA 0.396 45.450 45.100 -0.077 0.000 0.670 638 G HN 0.975 nan 8.290 nan 0.000 0.528 639 L N 1.980 123.346 121.223 0.238 0.000 2.264 639 L HA 0.777 5.117 4.340 -0.000 0.000 0.289 639 L C 0.122 177.118 176.870 0.209 0.000 1.044 639 L CA -0.171 54.871 54.840 0.337 0.000 0.807 639 L CB 1.548 43.830 42.059 0.371 0.000 1.192 639 L HN 0.053 nan 8.230 nan 0.000 0.425 640 T N 6.466 121.115 114.554 0.159 0.000 2.797 640 T HA 0.613 4.962 4.350 -0.000 0.000 0.279 640 T C -0.477 174.266 174.700 0.071 0.000 0.991 640 T CA -0.326 61.836 62.100 0.104 0.000 0.979 640 T CB 0.946 69.916 68.868 0.170 0.000 0.943 640 T HN 0.442 nan 8.240 nan 0.000 0.444 641 L N 2.494 123.744 121.223 0.045 0.000 2.362 641 L HA 0.825 5.165 4.340 -0.000 0.000 0.275 641 L C 0.373 177.207 176.870 -0.061 0.000 0.998 641 L CA -0.778 54.067 54.840 0.009 0.000 0.820 641 L CB 2.073 44.154 42.059 0.037 0.000 1.270 641 L HN 0.797 nan 8.230 nan 0.000 0.415 642 G N 0.217 108.964 108.800 -0.088 0.000 2.696 642 G HA2 0.649 4.609 3.960 -0.000 0.000 0.295 642 G HA3 0.649 4.609 3.960 -0.000 0.000 0.295 642 G C -1.583 173.237 174.900 -0.133 0.000 1.398 642 G CA -0.341 44.629 45.100 -0.216 0.000 0.920 642 G HN 0.402 nan 8.290 nan 0.000 0.492 643 T N -1.236 113.126 114.554 -0.320 0.000 2.885 643 T HA 0.786 5.136 4.350 -0.000 0.000 0.322 643 T C -0.355 174.288 174.700 -0.095 0.000 1.387 643 T CA 0.349 62.402 62.100 -0.078 0.000 1.041 643 T CB 1.649 70.475 68.868 -0.070 0.000 1.287 643 T HN 1.666 nan 8.240 nan 0.000 0.491 644 G N 0.079 109.042 108.800 0.271 0.000 2.692 644 G HA2 0.705 4.665 3.960 -0.000 0.000 0.291 644 G HA3 0.705 4.665 3.960 -0.000 0.000 0.291 644 G C -0.806 174.312 174.900 0.364 0.000 1.423 644 G CA -0.259 45.115 45.100 0.457 0.000 0.843 644 G HN 0.954 nan 8.290 nan 0.000 0.486 645 G N -0.196 108.826 108.800 0.370 0.000 2.617 645 G HA2 0.630 4.590 3.960 -0.000 0.000 0.306 645 G HA3 0.630 4.590 3.960 -0.000 0.000 0.306 645 G C -0.961 174.079 174.900 0.234 0.000 1.360 645 G CA -0.725 44.529 45.100 0.257 0.000 0.983 645 G HN 0.507 nan 8.290 nan 0.000 0.496 646 R N 1.171 121.764 120.500 0.155 0.000 2.360 646 R HA 0.248 4.588 4.340 -0.000 0.000 0.318 646 R C -1.629 174.752 176.300 0.136 0.000 0.950 646 R CA -0.803 55.346 56.100 0.082 0.000 0.837 646 R CB 2.180 32.460 30.300 -0.033 0.000 1.165 646 R HN 0.594 nan 8.270 nan 0.000 0.458 647 Y N 2.121 122.425 120.300 0.007 0.000 2.328 647 Y HA 0.281 4.831 4.550 -0.000 0.000 0.337 647 Y C -0.696 175.127 175.900 -0.129 0.000 1.008 647 Y CA -0.224 57.856 58.100 -0.033 0.000 1.129 647 Y CB 1.622 40.092 38.460 0.016 0.000 1.185 647 Y HN 0.389 nan 8.280 nan 0.000 0.476 648 T N 6.249 120.216 114.554 -0.977 0.000 2.791 648 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 648 T C 0.442 174.353 174.700 -1.315 0.000 0.999 648 T CA -0.385 61.083 62.100 -1.054 0.000 0.952 648 T CB 0.825 68.957 68.868 -1.227 0.000 0.938 648 T HN 0.991 nan 8.240 nan 0.000 0.444 649 G N 2.358 110.581 108.800 -0.962 0.000 2.712 649 G HA2 0.382 4.341 3.960 -0.000 0.000 0.258 649 G HA3 0.382 4.341 3.960 -0.000 0.000 0.258 649 G C 0.458 175.122 174.900 -0.393 0.000 1.241 649 G CA -0.586 44.170 45.100 -0.573 0.000 0.923 649 G HN 0.813 nan 8.290 nan 0.000 0.548 650 S N -1.380 114.195 115.700 -0.208 0.000 2.603 650 S HA 0.623 5.093 4.470 -0.000 0.000 0.268 650 S C 0.196 174.646 174.600 -0.248 0.000 1.317 650 S CA 0.305 58.382 58.200 -0.205 0.000 1.012 650 S CB 1.304 64.407 63.200 -0.162 0.000 0.926 650 S HN 1.691 nan 8.310 nan 0.000 0.539 651 S N 0.333 115.856 115.700 -0.295 0.000 2.596 651 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 651 S C -1.521 172.814 174.600 -0.441 0.000 1.155 651 S CA -0.987 57.035 58.200 -0.298 0.000 0.827 651 S CB 0.125 63.214 63.200 -0.185 0.000 1.130 651 S HN 0.673 nan 8.310 nan 0.000 0.467 652 Y N 0.475 120.610 120.300 -0.275 0.000 2.304 652 Y HA 0.550 5.100 4.550 -0.000 0.000 0.327 652 Y C 1.623 177.216 175.900 -0.512 0.000 1.209 652 Y CA 0.368 58.238 58.100 -0.383 0.000 1.299 652 Y CB 0.942 39.233 38.460 -0.281 0.000 1.249 652 Y HN 0.992 nan 8.280 nan 0.000 0.519 653 G N 1.133 109.455 108.800 -0.797 0.000 3.605 653 G HA2 0.335 4.295 3.960 -0.000 0.000 0.277 653 G HA3 0.335 4.295 3.960 -0.000 0.000 0.277 653 G C -1.087 173.554 174.900 -0.432 0.000 1.093 653 G CA 0.023 44.604 45.100 -0.865 0.000 0.821 653 G HN 0.705 nan 8.290 nan 0.000 0.532 654 D N -2.940 117.310 120.400 -0.250 0.000 2.783 654 D HA 0.106 4.746 4.640 -0.000 0.000 0.253 654 D C -2.760 173.433 176.300 -0.178 0.000 1.206 654 D CA -1.208 52.709 54.000 -0.138 0.000 0.740 654 D CB 0.780 41.598 40.800 0.031 0.000 1.313 654 D HN -0.128 nan 8.370 nan 0.000 0.427 655 P HA -0.017 nan 4.420 nan 0.000 0.216 655 P C 1.279 178.196 177.300 -0.637 0.000 1.150 655 P CA 2.519 65.242 63.100 -0.629 0.000 0.837 655 P CB 0.070 31.134 31.700 -1.060 0.000 0.786 656 A N -0.686 121.987 122.820 -0.245 0.000 2.172 656 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 656 A C 0.725 178.311 177.584 0.004 0.000 1.154 656 A CA 0.770 52.834 52.037 0.045 0.000 0.701 656 A CB -1.573 17.507 19.000 0.134 0.000 0.789 656 A HN 0.284 nan 8.150 nan 0.000 0.465 657 N N -0.690 117.985 118.700 -0.041 0.000 2.738 657 N HA -0.195 4.544 4.740 -0.000 0.000 0.249 657 N C 0.841 176.455 175.510 0.172 0.000 1.047 657 N CA 0.364 53.436 53.050 0.037 0.000 0.707 657 N CB -1.079 37.256 38.487 -0.253 0.000 0.937 657 N HN 0.741 nan 8.380 nan 0.000 0.545 658 S N -0.602 115.231 115.700 0.223 0.000 2.496 658 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 658 S C 0.317 175.125 174.600 0.347 0.000 0.996 658 S CA 0.431 58.771 58.200 0.234 0.000 0.927 658 S CB -0.064 63.235 63.200 0.165 0.000 0.774 658 S HN 0.492 nan 8.310 nan 0.000 0.524 659 F N -0.815 119.148 119.950 0.021 0.000 2.789 659 F HA 0.827 5.354 4.527 -0.000 0.000 0.319 659 F C -1.406 174.359 175.800 -0.058 0.000 1.168 659 F CA -1.882 56.103 58.000 -0.025 0.000 0.934 659 F CB 0.923 39.881 39.000 -0.071 0.000 1.375 659 F HN -0.244 nan 8.300 nan 0.000 0.480 660 K N 1.126 121.361 120.400 -0.274 0.000 2.464 660 K HA 0.681 5.001 4.320 -0.000 0.000 0.253 660 K C -1.834 174.558 176.600 -0.346 0.000 0.933 660 K CA -1.121 54.868 56.287 -0.496 0.000 0.801 660 K CB 3.113 35.329 32.500 -0.473 0.000 1.271 660 K HN 0.523 nan 8.250 nan 0.000 0.430 661 V N 1.746 121.435 119.914 -0.374 0.000 2.509 661 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 661 V C 0.740 176.769 176.094 -0.108 0.000 1.047 661 V CA -0.534 61.657 62.300 -0.182 0.000 0.952 661 V CB 1.420 33.146 31.823 -0.162 0.000 0.988 661 V HN 0.929 nan 8.190 nan 0.000 0.469 662 G N 3.203 112.005 108.800 0.003 0.000 2.569 662 G HA2 0.384 4.344 3.960 -0.000 0.000 0.249 662 G HA3 0.384 4.344 3.960 -0.000 0.000 0.249 662 G C 0.388 175.321 174.900 0.056 0.000 1.216 662 G CA 0.131 45.253 45.100 0.036 0.000 0.845 662 G HN 0.943 nan 8.290 nan 0.000 0.568 663 S N -0.382 115.310 115.700 -0.013 0.000 2.608 663 S HA 0.670 5.140 4.470 -0.000 0.000 0.261 663 S C -0.470 174.132 174.600 0.003 0.000 1.314 663 S CA -0.007 58.092 58.200 -0.169 0.000 0.992 663 S CB 0.738 63.892 63.200 -0.078 0.000 0.935 663 S HN 1.372 nan 8.310 nan 0.000 0.564 664 Y N -3.088 117.154 120.300 -0.098 0.000 2.677 664 Y HA 0.685 5.234 4.550 -0.000 0.000 0.334 664 Y C -1.157 174.711 175.900 -0.054 0.000 1.196 664 Y CA -1.150 56.911 58.100 -0.064 0.000 1.059 664 Y CB 0.771 39.129 38.460 -0.170 0.000 1.315 664 Y HN 0.627 nan 8.280 nan 0.000 0.455 665 T N 2.200 116.898 114.554 0.240 0.000 2.937 665 T HA 0.601 4.951 4.350 -0.000 0.000 0.297 665 T C -1.290 173.485 174.700 0.127 0.000 0.991 665 T CA -0.643 61.591 62.100 0.223 0.000 0.990 665 T CB 1.406 70.437 68.868 0.271 0.000 0.991 665 T HN 0.640 nan 8.240 nan 0.000 0.440 666 V N 3.544 123.510 119.914 0.086 0.000 2.547 666 V HA 0.639 4.758 4.120 -0.000 0.000 0.299 666 V C -0.158 175.985 176.094 0.081 0.000 1.040 666 V CA -0.720 61.595 62.300 0.026 0.000 0.913 666 V CB 1.993 33.790 31.823 -0.043 0.000 0.992 666 V HN 0.671 nan 8.190 nan 0.000 0.449 667 V N 3.267 123.201 119.914 0.033 0.000 2.555 667 V HA 0.554 4.673 4.120 -0.000 0.000 0.302 667 V C -0.738 175.335 176.094 -0.036 0.000 1.038 667 V CA -0.560 61.734 62.300 -0.009 0.000 0.887 667 V CB 1.980 33.693 31.823 -0.183 0.000 0.991 667 V HN 0.885 nan 8.190 nan 0.000 0.434 668 D N 2.535 122.979 120.400 0.075 0.000 2.433 668 D HA 0.867 5.506 4.640 -0.000 0.000 0.236 668 D C -0.468 175.909 176.300 0.129 0.000 1.026 668 D CA -0.117 53.950 54.000 0.113 0.000 0.884 668 D CB 2.541 43.473 40.800 0.219 0.000 1.384 668 D HN 0.791 nan 8.370 nan 0.000 0.477 669 A N 0.768 123.648 122.820 0.101 0.000 2.604 669 A HA 0.693 5.012 4.320 -0.000 0.000 0.295 669 A C -1.760 175.851 177.584 0.046 0.000 1.067 669 A CA -0.675 51.406 52.037 0.074 0.000 0.683 669 A CB 1.294 20.287 19.000 -0.013 0.000 1.281 669 A HN 0.432 nan 8.150 nan 0.000 0.407 670 L N -0.797 120.424 121.223 -0.003 0.000 2.469 670 L HA 0.968 5.308 4.340 -0.000 0.000 0.256 670 L C -0.803 175.985 176.870 -0.136 0.000 1.006 670 L CA -0.962 53.786 54.840 -0.153 0.000 0.832 670 L CB 1.825 43.703 42.059 -0.302 0.000 1.421 670 L HN 1.296 nan 8.230 nan 0.000 0.410 671 V N -0.766 119.040 119.914 -0.180 0.000 2.488 671 V HA 0.746 4.866 4.120 -0.000 0.000 0.293 671 V C -0.536 175.504 176.094 -0.090 0.000 1.027 671 V CA -0.552 61.698 62.300 -0.084 0.000 0.862 671 V CB 1.176 32.975 31.823 -0.040 0.000 1.008 671 V HN 1.042 nan 8.190 nan 0.000 0.428 672 R N 3.641 124.118 120.500 -0.037 0.000 2.562 672 R HA 0.633 4.973 4.340 -0.000 0.000 0.298 672 R C -2.022 174.368 176.300 0.150 0.000 0.961 672 R CA -0.789 55.313 56.100 0.003 0.000 0.881 672 R CB 1.912 32.173 30.300 -0.065 0.000 1.159 672 R HN 0.870 nan 8.270 nan 0.000 0.450 673 Y N 3.552 123.860 120.300 0.014 0.000 2.332 673 Y HA 0.186 4.736 4.550 -0.000 0.000 0.326 673 Y C -0.826 175.107 175.900 0.055 0.000 0.978 673 Y CA -1.582 56.540 58.100 0.037 0.000 1.205 673 Y CB 1.260 39.740 38.460 0.033 0.000 1.131 673 Y HN 0.613 nan 8.280 nan 0.000 0.462 674 D N 6.003 126.175 120.400 -0.380 0.000 2.380 674 D HA -0.066 4.574 4.640 -0.000 0.000 0.270 674 D C 1.050 177.003 176.300 -0.578 0.000 1.363 674 D CA 0.403 54.200 54.000 -0.338 0.000 1.057 674 D CB 0.380 41.053 40.800 -0.211 0.000 1.096 674 D HN 0.756 nan 8.370 nan 0.000 0.524 675 L N 3.717 124.743 121.223 -0.328 0.000 2.556 675 L HA -0.098 4.242 4.340 -0.000 0.000 0.230 675 L C 1.684 178.482 176.870 -0.120 0.000 1.163 675 L CA 0.920 55.651 54.840 -0.182 0.000 0.819 675 L CB -0.609 41.486 42.059 0.061 0.000 0.939 675 L HN 0.461 nan 8.230 nan 0.000 0.452 676 A N -0.438 122.305 122.820 -0.128 0.000 2.711 676 A HA 0.130 4.450 4.320 -0.000 0.000 0.242 676 A C 1.362 178.906 177.584 -0.066 0.000 1.607 676 A CA 0.115 52.116 52.037 -0.061 0.000 1.370 676 A CB -0.790 18.190 19.000 -0.033 0.000 0.934 676 A HN 0.534 nan 8.150 nan 0.000 0.628 677 R N -1.222 119.238 120.500 -0.066 0.000 2.519 677 R HA 0.180 4.520 4.340 -0.000 0.000 0.375 677 R C -0.392 175.933 176.300 0.041 0.000 0.926 677 R CA 0.109 56.203 56.100 -0.010 0.000 1.166 677 R CB 0.993 31.289 30.300 -0.008 0.000 1.626 677 R HN 0.267 nan 8.270 nan 0.000 0.529 678 V N -0.261 119.672 119.914 0.032 0.000 3.017 678 V HA 0.344 4.464 4.120 -0.000 0.000 0.354 678 V C 1.022 177.128 176.094 0.019 0.000 1.389 678 V CA 0.409 62.737 62.300 0.047 0.000 1.163 678 V CB 0.719 32.588 31.823 0.077 0.000 1.178 678 V HN 0.580 nan 8.190 nan 0.000 0.547 679 G N 1.012 109.817 108.800 0.009 0.000 3.757 679 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.215 679 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.215 679 G C 0.425 175.319 174.900 -0.010 0.000 1.411 679 G CA 0.073 45.172 45.100 -0.003 0.000 0.896 679 G HN 0.396 nan 8.290 nan 0.000 0.581 680 M N 2.802 122.392 119.600 -0.017 0.000 2.987 680 M HA 0.393 4.873 4.480 -0.000 0.000 0.331 680 M C 0.823 177.129 176.300 0.010 0.000 1.766 680 M CA 0.611 55.900 55.300 -0.018 0.000 1.445 680 M CB -0.113 32.483 32.600 -0.007 0.000 1.925 680 M HN 0.718 nan 8.290 nan 0.000 0.467 681 A N 2.497 125.323 122.820 0.009 0.000 2.304 681 A HA 0.730 5.050 4.320 -0.000 0.000 0.301 681 A C 1.210 178.821 177.584 0.045 0.000 1.132 681 A CA 0.184 52.233 52.037 0.020 0.000 0.819 681 A CB 0.752 19.762 19.000 0.017 0.000 1.094 681 A HN 1.070 nan 8.150 nan 0.000 0.492 682 G N 0.610 109.440 108.800 0.051 0.000 2.284 682 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.247 682 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.247 682 G C 0.701 175.660 174.900 0.098 0.000 1.012 682 G CA 0.636 45.782 45.100 0.076 0.000 0.618 682 G HN 1.168 nan 8.290 nan 0.000 0.521 683 S N 1.335 117.101 115.700 0.110 0.000 2.681 683 S HA 0.694 5.164 4.470 -0.000 0.000 0.270 683 S C 0.177 174.831 174.600 0.090 0.000 1.209 683 S CA 0.185 58.480 58.200 0.158 0.000 0.988 683 S CB 1.431 64.819 63.200 0.315 0.000 1.006 683 S HN 1.299 nan 8.310 nan 0.000 0.558 684 N N -1.565 117.174 118.700 0.064 0.000 3.545 684 N HA 0.252 4.992 4.740 -0.000 0.000 0.227 684 N C -2.247 173.265 175.510 0.003 0.000 1.380 684 N CA -0.543 52.525 53.050 0.031 0.000 0.892 684 N CB 0.734 39.237 38.487 0.027 0.000 1.441 684 N HN 0.367 nan 8.380 nan 0.000 0.497 685 V N -0.440 119.508 119.914 0.056 0.000 2.735 685 V HA 0.947 5.067 4.120 -0.000 0.000 0.310 685 V C -0.306 175.814 176.094 0.044 0.000 1.061 685 V CA -0.471 61.860 62.300 0.051 0.000 0.913 685 V CB 1.201 33.098 31.823 0.124 0.000 1.005 685 V HN 1.125 nan 8.190 nan 0.000 0.428 686 A N 3.490 126.317 122.820 0.011 0.000 2.539 686 A HA 0.939 5.259 4.320 -0.000 0.000 0.296 686 A C -1.896 175.649 177.584 -0.066 0.000 1.073 686 A CA -0.565 51.438 52.037 -0.057 0.000 0.700 686 A CB 1.883 20.828 19.000 -0.092 0.000 1.296 686 A HN 0.852 nan 8.150 nan 0.000 0.405 687 L N 2.113 123.230 121.223 -0.176 0.000 2.376 687 L HA 0.569 4.908 4.340 -0.000 0.000 0.275 687 L C -1.136 175.592 176.870 -0.236 0.000 0.987 687 L CA -0.004 54.768 54.840 -0.113 0.000 0.828 687 L CB 1.216 43.238 42.059 -0.063 0.000 1.249 687 L HN 0.761 nan 8.230 nan 0.000 0.409 688 H N 4.330 123.387 119.070 -0.022 0.000 2.495 688 H HA 0.679 5.235 4.556 -0.000 0.000 0.348 688 H C -1.168 174.149 175.328 -0.018 0.000 1.113 688 H CA -0.672 55.365 56.048 -0.019 0.000 1.195 688 H CB 2.376 32.122 29.762 -0.026 0.000 1.521 688 H HN 0.348 nan 8.280 nan 0.000 0.509 689 V N 4.110 124.083 119.914 0.098 0.000 2.525 689 V HA 0.161 4.281 4.120 -0.000 0.000 0.299 689 V C -0.187 175.932 176.094 0.042 0.000 1.034 689 V CA -0.982 61.342 62.300 0.041 0.000 0.863 689 V CB 1.688 33.508 31.823 -0.005 0.000 0.999 689 V HN 0.710 nan 8.190 nan 0.000 0.423 690 N N 3.732 122.451 118.700 0.032 0.000 2.399 690 N HA 0.326 5.066 4.740 -0.000 0.000 0.295 690 N C 0.139 175.658 175.510 0.014 0.000 1.048 690 N CA -0.392 52.678 53.050 0.034 0.000 0.886 690 N CB 1.357 39.866 38.487 0.037 0.000 1.185 690 N HN 0.808 nan 8.380 nan 0.000 0.487 691 N N 1.223 119.928 118.700 0.008 0.000 2.681 691 N HA -0.184 4.556 4.740 -0.000 0.000 0.259 691 N C 0.557 176.041 175.510 -0.045 0.000 1.066 691 N CA 0.016 53.069 53.050 0.004 0.000 0.717 691 N CB -0.957 37.571 38.487 0.068 0.000 0.885 691 N HN 0.598 nan 8.380 nan 0.000 0.547 692 L N 0.759 121.882 121.223 -0.167 0.000 2.021 692 L HA -0.046 4.294 4.340 -0.000 0.000 0.215 692 L C 1.520 178.280 176.870 -0.185 0.000 1.074 692 L CA 2.122 56.803 54.840 -0.265 0.000 0.760 692 L CB -0.633 41.111 42.059 -0.525 0.000 0.889 692 L HN 0.412 nan 8.230 nan 0.000 0.433 693 F N 0.154 120.126 119.950 0.036 0.000 2.769 693 F HA 0.113 4.640 4.527 -0.000 0.000 0.304 693 F C 1.220 177.038 175.800 0.029 0.000 1.158 693 F CA -0.008 58.010 58.000 0.030 0.000 1.398 693 F CB -1.381 37.637 39.000 0.030 0.000 1.094 693 F HN 0.191 nan 8.300 nan 0.000 0.553 694 D N 1.602 122.088 120.400 0.144 0.000 2.702 694 D HA -0.286 4.353 4.640 -0.000 0.000 0.233 694 D C 0.736 177.108 176.300 0.120 0.000 1.164 694 D CA 0.358 54.418 54.000 0.100 0.000 0.638 694 D CB -0.608 40.233 40.800 0.068 0.000 1.041 694 D HN 0.408 nan 8.370 nan 0.000 0.422 695 R N 0.668 121.263 120.500 0.157 0.000 2.585 695 R HA 0.083 4.423 4.340 -0.000 0.000 0.275 695 R C 0.005 176.434 176.300 0.214 0.000 1.018 695 R CA 0.316 56.511 56.100 0.157 0.000 1.072 695 R CB 0.505 30.873 30.300 0.114 0.000 0.953 695 R HN 0.147 nan 8.270 nan 0.000 0.419 696 E N 3.893 124.197 120.200 0.172 0.000 2.115 696 E HA 0.172 4.521 4.350 -0.000 0.000 0.282 696 E C -1.411 175.384 176.600 0.325 0.000 0.987 696 E CA -0.466 56.011 56.400 0.127 0.000 0.797 696 E CB 0.887 30.558 29.700 -0.049 0.000 1.086 696 E HN 0.470 nan 8.360 nan 0.000 0.397 697 Y N -0.782 119.583 120.300 0.110 0.000 2.655 697 Y HA 0.558 5.107 4.550 -0.000 0.000 0.336 697 Y C -1.280 174.800 175.900 0.301 0.000 1.154 697 Y CA -1.471 56.723 58.100 0.156 0.000 1.055 697 Y CB 0.524 38.899 38.460 -0.142 0.000 1.295 697 Y HN 0.053 nan 8.280 nan 0.000 0.465 698 V N 2.933 122.940 119.914 0.156 0.000 2.328 698 V HA 0.528 4.647 4.120 -0.000 0.000 0.278 698 V C 1.070 177.158 176.094 -0.009 0.000 1.021 698 V CA 0.087 62.358 62.300 -0.048 0.000 0.838 698 V CB 0.348 32.084 31.823 -0.145 0.000 0.999 698 V HN 1.171 nan 8.190 nan 0.000 0.447 699 A N 4.870 127.621 122.820 -0.114 0.000 1.859 699 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 699 A C 1.143 178.878 177.584 0.251 0.000 1.198 699 A CA 2.021 54.109 52.037 0.084 0.000 0.629 699 A CB -0.159 18.895 19.000 0.090 0.000 0.830 699 A HN 1.327 nan 8.150 nan 0.000 0.446 700 S N -4.953 110.844 115.700 0.162 0.000 2.660 700 S HA 0.487 4.957 4.470 -0.000 0.000 0.264 700 S C -1.197 173.385 174.600 -0.030 0.000 1.131 700 S CA -0.448 57.806 58.200 0.089 0.000 0.846 700 S CB 0.504 63.785 63.200 0.136 0.000 1.151 700 S HN 0.901 nan 8.310 nan 0.000 0.486 701 c N 1.480 120.002 118.600 -0.130 0.000 2.783 701 c HA 0.672 5.241 4.570 -0.000 0.000 0.312 701 c C 0.684 174.630 174.090 -0.239 0.000 1.182 701 c CA -0.788 55.345 56.329 -0.328 0.000 1.432 701 c CB 0.564 42.875 42.510 -0.331 0.000 1.933 701 c HN 0.981 nan 8.230 nan 0.000 0.473 702 F N 0.477 120.245 119.950 -0.304 0.000 2.746 702 F HA 0.448 4.974 4.527 -0.000 0.000 0.297 702 F C 0.466 176.053 175.800 -0.354 0.000 1.113 702 F CA 0.188 58.032 58.000 -0.260 0.000 1.367 702 F CB -0.041 38.831 39.000 -0.214 0.000 1.111 702 F HN 0.541 nan 8.300 nan 0.000 0.590 703 N N -0.443 117.548 118.700 -1.181 0.000 3.348 703 N HA 0.027 4.767 4.740 -0.000 0.000 0.233 703 N C 0.740 175.704 175.510 -0.909 0.000 1.440 703 N CA 0.564 53.006 53.050 -1.013 0.000 0.887 703 N CB 1.372 39.002 38.487 -1.429 0.000 1.410 703 N HN -0.004 nan 8.380 nan 0.000 0.502 704 T N -1.190 112.993 114.554 -0.618 0.000 2.918 704 T HA -0.194 4.155 4.350 -0.000 0.000 0.271 704 T C 1.348 175.716 174.700 -0.554 0.000 1.104 704 T CA 1.766 63.511 62.100 -0.591 0.000 1.114 704 T CB -0.606 67.968 68.868 -0.489 0.000 0.855 704 T HN 0.612 nan 8.240 nan 0.000 0.518 705 Y N -0.655 119.320 120.300 -0.543 0.000 2.481 705 Y HA 0.703 5.252 4.550 -0.000 0.000 0.247 705 Y C 0.973 176.529 175.900 -0.574 0.000 1.151 705 Y CA -1.478 56.337 58.100 -0.474 0.000 1.238 705 Y CB -0.024 38.151 38.460 -0.475 0.000 1.179 705 Y HN 0.174 nan 8.280 nan 0.000 0.524 706 G N 1.029 109.081 108.800 -1.247 0.000 3.749 706 G HA2 0.492 4.452 3.960 -0.000 0.000 0.339 706 G HA3 0.492 4.452 3.960 -0.000 0.000 0.339 706 G C -1.275 172.827 174.900 -1.330 0.000 1.513 706 G CA -0.308 43.904 45.100 -1.480 0.000 1.035 706 G HN 0.259 nan 8.290 nan 0.000 0.480 707 c N 0.806 118.762 118.600 -1.074 0.000 2.667 707 c HA 0.834 5.404 4.570 -0.000 0.000 0.323 707 c C -0.978 172.388 174.090 -1.207 0.000 1.214 707 c CA -0.723 54.980 56.329 -1.043 0.000 1.721 707 c CB 1.104 43.260 42.510 -0.591 0.000 2.275 707 c HN 0.588 nan 8.230 nan 0.000 0.491 708 F N 0.075 119.939 119.950 -0.143 0.000 2.536 708 F HA 0.362 4.889 4.527 -0.000 0.000 0.322 708 F C -0.211 175.519 175.800 -0.118 0.000 1.144 708 F CA -0.830 57.135 58.000 -0.058 0.000 0.924 708 F CB 0.478 39.501 39.000 0.038 0.000 1.181 708 F HN 0.638 nan 8.300 nan 0.000 0.438 709 W N 1.978 123.326 121.300 0.079 0.000 2.170 709 W HA 0.425 5.085 4.660 -0.000 0.000 0.342 709 W C 1.093 177.462 176.519 -0.249 0.000 1.294 709 W CA -0.219 57.059 57.345 -0.111 0.000 1.246 709 W CB 0.676 30.081 29.460 -0.092 0.000 1.156 709 W HN 0.732 nan 8.180 nan 0.000 0.572 710 G N 0.902 109.522 108.800 -0.301 0.000 2.611 710 G HA2 0.461 4.421 3.960 -0.000 0.000 0.273 710 G HA3 0.461 4.421 3.960 -0.000 0.000 0.273 710 G C -0.925 173.778 174.900 -0.328 0.000 1.305 710 G CA -0.680 43.912 45.100 -0.847 0.000 1.010 710 G HN 0.713 nan 8.290 nan 0.000 0.509 711 A N -0.130 122.603 122.820 -0.146 0.000 2.362 711 A HA 0.513 4.833 4.320 -0.000 0.000 0.276 711 A C 0.567 178.175 177.584 0.041 0.000 1.153 711 A CA -0.418 51.617 52.037 -0.003 0.000 0.813 711 A CB -0.012 19.016 19.000 0.047 0.000 1.081 711 A HN 0.737 nan 8.150 nan 0.000 0.507 712 E N 2.564 122.755 120.200 -0.014 0.000 2.343 712 E HA 0.334 4.683 4.350 -0.000 0.000 0.269 712 E C 0.152 176.755 176.600 0.006 0.000 1.047 712 E CA -0.906 55.487 56.400 -0.012 0.000 0.874 712 E CB 0.726 30.381 29.700 -0.074 0.000 1.033 712 E HN 0.627 nan 8.360 nan 0.000 0.409 713 R N 1.773 122.283 120.500 0.017 0.000 2.489 713 R HA -0.206 4.133 4.340 -0.000 0.000 0.287 713 R C -0.509 175.786 176.300 -0.008 0.000 0.902 713 R CA 0.859 56.965 56.100 0.010 0.000 1.136 713 R CB 0.315 30.622 30.300 0.010 0.000 0.872 713 R HN 0.703 nan 8.270 nan 0.000 0.421 714 Q N 3.231 123.027 119.800 -0.006 0.000 2.377 714 Q HA 0.512 4.852 4.340 -0.000 0.000 0.271 714 Q C -1.670 174.325 176.000 -0.010 0.000 1.077 714 Q CA -1.057 54.736 55.803 -0.017 0.000 0.820 714 Q CB 2.131 30.857 28.738 -0.020 0.000 1.347 714 Q HN 0.474 nan 8.270 nan 0.000 0.444 715 V N 3.338 123.240 119.914 -0.021 0.000 2.525 715 V HA 0.518 4.638 4.120 -0.000 0.000 0.299 715 V C -0.863 175.221 176.094 -0.017 0.000 1.034 715 V CA -0.636 61.658 62.300 -0.009 0.000 0.863 715 V CB 1.838 33.651 31.823 -0.017 0.000 0.999 715 V HN 0.602 nan 8.190 nan 0.000 0.423 716 V N 3.274 123.199 119.914 0.019 0.000 2.709 716 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 716 V C 0.063 176.191 176.094 0.057 0.000 1.062 716 V CA -0.646 61.662 62.300 0.014 0.000 0.901 716 V CB 2.087 33.911 31.823 0.000 0.000 1.003 716 V HN 0.976 nan 8.190 nan 0.000 0.425 717 A N 2.765 125.605 122.820 0.033 0.000 2.303 717 A HA 0.856 5.175 4.320 -0.000 0.000 0.320 717 A C -0.114 177.505 177.584 0.058 0.000 1.192 717 A CA -0.441 51.625 52.037 0.049 0.000 0.821 717 A CB 0.982 20.006 19.000 0.039 0.000 1.188 717 A HN 0.776 nan 8.150 nan 0.000 0.492 718 T N 1.579 116.172 114.554 0.066 0.000 2.848 718 T HA 0.670 5.019 4.350 -0.000 0.000 0.285 718 T C -0.341 174.347 174.700 -0.021 0.000 0.995 718 T CA -0.088 62.029 62.100 0.029 0.000 0.970 718 T CB 1.704 70.589 68.868 0.028 0.000 0.976 718 T HN 1.171 nan 8.240 nan 0.000 0.441 719 A N 2.472 125.246 122.820 -0.076 0.000 2.360 719 A HA 0.669 4.989 4.320 -0.000 0.000 0.309 719 A C 0.280 177.546 177.584 -0.530 0.000 1.311 719 A CA -0.771 51.090 52.037 -0.293 0.000 0.805 719 A CB 0.521 19.387 19.000 -0.224 0.000 1.144 719 A HN 0.763 nan 8.150 nan 0.000 0.486 720 T N 1.863 116.138 114.554 -0.464 0.000 2.756 720 T HA 0.669 5.018 4.350 -0.000 0.000 0.290 720 T C -1.027 173.501 174.700 -0.285 0.000 0.985 720 T CA -0.307 61.595 62.100 -0.329 0.000 0.955 720 T CB -0.429 68.376 68.868 -0.105 0.000 0.930 720 T HN 0.235 nan 8.240 nan 0.000 0.451 721 F N 3.832 123.887 119.950 0.175 0.000 2.420 721 F HA 0.596 5.123 4.527 -0.000 0.000 0.342 721 F C 0.880 176.840 175.800 0.266 0.000 1.113 721 F CA -1.310 56.810 58.000 0.201 0.000 1.059 721 F CB 1.279 40.444 39.000 0.275 0.000 1.128 721 F HN 0.263 nan 8.300 nan 0.000 0.475 722 R N 3.400 124.124 120.500 0.373 0.000 2.246 722 R HA 0.386 4.725 4.340 -0.000 0.000 0.332 722 R C -0.895 175.569 176.300 0.274 0.000 0.974 722 R CA -0.539 55.757 56.100 0.327 0.000 0.837 722 R CB 0.662 31.084 30.300 0.203 0.000 1.145 722 R HN 0.431 nan 8.270 nan 0.000 0.467 723 F N 0.000 120.079 119.950 0.215 0.000 2.286 723 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 723 F CA 0.000 58.101 58.000 0.168 0.000 1.383 723 F CB 0.000 39.112 39.000 0.186 0.000 1.145 723 F HN 0.000 nan 8.300 nan 0.000 0.574