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 2xak_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLXYQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.503 175.510 -0.011 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 5 L N 1.263 122.481 121.223 -0.008 0.000 2.932 5 L HA -0.126 4.214 4.340 0.001 0.000 0.604 5 L C -1.047 175.792 176.870 -0.051 0.000 1.002 5 L CA 0.053 54.881 54.840 -0.021 0.000 1.316 5 L CB -0.482 41.566 42.059 -0.019 0.000 1.668 5 L HN 0.388 nan 8.230 nan 0.000 0.803 6 L N 3.050 124.243 121.223 -0.049 0.000 2.400 6 L HA 0.982 5.322 4.340 0.001 0.000 0.264 6 L C -0.159 176.648 176.870 -0.105 0.000 1.061 6 L CA -0.841 53.959 54.840 -0.066 0.000 0.799 6 L CB 1.521 43.556 42.059 -0.040 0.000 1.240 6 L HN 0.123 nan 8.230 nan 0.000 0.461 7 V N -0.649 119.199 119.914 -0.111 0.000 2.789 7 V HA 0.421 4.542 4.120 0.001 0.000 0.311 7 V C -0.271 175.762 176.094 -0.103 0.000 1.073 7 V CA -0.330 61.881 62.300 -0.149 0.000 0.921 7 V CB 2.368 34.080 31.823 -0.186 0.000 1.009 7 V HN 0.912 nan 8.190 nan 0.000 0.426 8 T N 5.084 119.576 114.554 -0.103 0.000 2.743 8 T HA 0.288 4.639 4.350 0.001 0.000 0.293 8 T C 0.098 174.759 174.700 -0.065 0.000 0.945 8 T CA -0.292 61.770 62.100 -0.064 0.000 1.030 8 T CB 0.515 69.358 68.868 -0.042 0.000 0.912 8 T HN 0.431 nan 8.240 nan 0.000 0.483 9 K N 1.909 122.284 120.400 -0.043 0.000 2.120 9 K HA 0.216 4.536 4.320 0.001 0.000 0.245 9 K C 1.043 177.637 176.600 -0.010 0.000 1.024 9 K CA -0.678 55.591 56.287 -0.029 0.000 0.906 9 K CB 0.475 32.965 32.500 -0.017 0.000 1.051 9 K HN 0.379 nan 8.250 nan 0.000 0.491 10 R N 1.959 122.463 120.500 0.007 0.000 3.425 10 R HA -0.132 4.208 4.340 0.001 0.000 0.213 10 R C 0.005 176.314 176.300 0.016 0.000 1.890 10 R CA 0.786 56.899 56.100 0.022 0.000 1.589 10 R CB -0.428 29.898 30.300 0.042 0.000 1.095 10 R HN 0.550 nan 8.270 nan 0.000 0.547 11 D N -2.674 117.730 120.400 0.008 0.000 1.927 11 D HA 0.039 4.680 4.640 0.001 0.000 0.390 11 D C 1.053 177.355 176.300 0.004 0.000 1.045 11 D CA 1.163 55.167 54.000 0.006 0.000 0.947 11 D CB 0.367 41.170 40.800 0.005 0.000 1.818 11 D HN 0.183 nan 8.370 nan 0.000 0.543 12 G N 0.454 109.254 108.800 0.001 0.000 2.232 12 G HA2 -0.226 3.734 3.960 0.001 0.000 0.226 12 G HA3 -0.226 3.734 3.960 0.001 0.000 0.226 12 G C 0.588 175.486 174.900 -0.003 0.000 0.996 12 G CA 0.724 45.825 45.100 0.001 0.000 0.626 12 G HN 0.870 nan 8.290 nan 0.000 0.509 13 S N -0.632 115.065 115.700 -0.005 0.000 2.633 13 S HA 0.671 5.142 4.470 0.001 0.000 0.257 13 S C 0.176 174.767 174.600 -0.015 0.000 1.265 13 S CA 0.914 59.109 58.200 -0.008 0.000 0.980 13 S CB 1.845 65.041 63.200 -0.006 0.000 1.017 13 S HN 1.635 nan 8.310 nan 0.000 0.577 14 T N 0.177 114.720 114.554 -0.017 0.000 3.295 14 T HA 0.493 4.843 4.350 0.001 0.000 0.331 14 T C -1.611 173.073 174.700 -0.027 0.000 1.142 14 T CA -0.618 61.467 62.100 -0.025 0.000 1.078 14 T CB 1.037 69.894 68.868 -0.019 0.000 1.150 14 T HN 0.981 nan 8.240 nan 0.000 0.465 15 E N 3.641 123.818 120.200 -0.038 0.000 2.456 15 E HA 0.481 4.832 4.350 0.001 0.000 0.278 15 E C -1.000 175.569 176.600 -0.051 0.000 1.034 15 E CA -1.010 55.368 56.400 -0.037 0.000 0.846 15 E CB 1.203 30.884 29.700 -0.030 0.000 1.460 15 E HN 0.630 nan 8.360 nan 0.000 0.463 16 R N 0.225 120.698 120.500 -0.045 0.000 2.784 16 R HA 0.287 4.627 4.340 0.001 0.000 0.266 16 R C 0.471 176.724 176.300 -0.077 0.000 1.044 16 R CA -0.319 55.748 56.100 -0.054 0.000 1.151 16 R CB 0.279 30.556 30.300 -0.038 0.000 1.037 16 R HN 0.443 nan 8.270 nan 0.000 0.478 17 I N 2.491 123.003 120.570 -0.097 0.000 2.416 17 I HA 0.000 4.171 4.170 0.001 0.000 0.288 17 I C -0.440 175.616 176.117 -0.101 0.000 1.051 17 I CA -0.121 61.095 61.300 -0.140 0.000 1.375 17 I CB 0.688 38.569 38.000 -0.199 0.000 1.407 17 I HN 0.572 nan 8.210 nan 0.000 0.516 18 N N 8.173 126.816 118.700 -0.095 0.000 2.719 18 N HA 0.132 4.872 4.740 0.001 0.000 0.243 18 N C 0.940 176.430 175.510 -0.032 0.000 1.104 18 N CA -0.165 52.856 53.050 -0.049 0.000 0.981 18 N CB 0.563 39.032 38.487 -0.030 0.000 1.290 18 N HN 0.662 nan 8.380 nan 0.000 0.513 19 L N 1.527 122.741 121.223 -0.015 0.000 2.131 19 L HA -0.175 4.166 4.340 0.001 0.000 0.210 19 L C 0.969 177.904 176.870 0.108 0.000 1.092 19 L CA 1.294 56.159 54.840 0.041 0.000 0.759 19 L CB -0.069 42.023 42.059 0.056 0.000 0.903 19 L HN 0.417 nan 8.230 nan 0.000 0.435 20 D N -1.623 118.821 120.400 0.073 0.000 2.333 20 D HA -0.119 4.522 4.640 0.001 0.000 0.208 20 D C 2.016 178.379 176.300 0.105 0.000 0.984 20 D CA 0.103 54.165 54.000 0.103 0.000 0.873 20 D CB -0.042 40.788 40.800 0.050 0.000 0.935 20 D HN -0.040 nan 8.370 nan 0.000 0.521 21 K N 1.191 121.626 120.400 0.058 0.000 2.001 21 K HA -0.031 4.290 4.320 0.001 0.000 0.208 21 K C 1.969 178.591 176.600 0.037 0.000 1.048 21 K CA 0.674 56.983 56.287 0.036 0.000 0.932 21 K CB -0.539 31.970 32.500 0.015 0.000 0.715 21 K HN 0.237 nan 8.250 nan 0.000 0.437 22 I N 0.219 120.820 120.570 0.052 0.000 2.113 22 I HA -0.369 3.802 4.170 0.001 0.000 0.242 22 I C 2.535 178.715 176.117 0.104 0.000 1.064 22 I CA 1.936 63.282 61.300 0.076 0.000 1.320 22 I CB -0.416 37.665 38.000 0.135 0.000 1.028 22 I HN 0.362 nan 8.210 nan 0.000 0.406 23 H N 0.900 120.015 119.070 0.075 0.000 2.352 23 H HA -0.166 4.391 4.556 0.001 0.000 0.299 23 H C 2.401 177.756 175.328 0.046 0.000 1.097 23 H CA 1.856 57.944 56.048 0.066 0.000 1.311 23 H CB 0.032 29.833 29.762 0.066 0.000 1.377 23 H HN 0.120 nan 8.280 nan 0.000 0.504 24 R N -0.590 119.959 120.500 0.082 0.000 2.083 24 R HA -0.115 4.226 4.340 0.001 0.000 0.237 24 R C 2.427 178.722 176.300 -0.008 0.000 1.137 24 R CA 1.619 57.739 56.100 0.034 0.000 0.951 24 R CB -0.328 29.998 30.300 0.043 0.000 0.851 24 R HN 0.210 nan 8.270 nan 0.000 0.434 25 V N 1.388 121.266 119.914 -0.061 0.000 2.343 25 V HA -0.236 3.885 4.120 0.001 0.000 0.247 25 V C 2.295 178.402 176.094 0.021 0.000 1.051 25 V CA 1.631 63.852 62.300 -0.130 0.000 1.036 25 V CB -0.473 31.101 31.823 -0.416 0.000 0.654 25 V HN 0.296 nan 8.190 nan 0.000 0.451 26 L N -0.359 120.838 121.223 -0.043 0.000 2.046 26 L HA -0.179 4.161 4.340 0.001 0.000 0.208 26 L C 2.512 179.338 176.870 -0.073 0.000 1.077 26 L CA 1.705 56.514 54.840 -0.051 0.000 0.747 26 L CB -0.674 41.324 42.059 -0.102 0.000 0.896 26 L HN 0.357 nan 8.230 nan 0.000 0.432 27 D N -0.567 119.752 120.400 -0.135 0.000 2.104 27 D HA -0.266 4.374 4.640 0.001 0.000 0.194 27 D C 1.835 178.142 176.300 0.011 0.000 0.994 27 D CA 1.372 55.309 54.000 -0.105 0.000 0.830 27 D CB -0.088 40.650 40.800 -0.104 0.000 0.959 27 D HN 0.417 nan 8.370 nan 0.000 0.452 28 W N 1.818 123.053 121.300 -0.108 0.000 2.335 28 W HA -0.179 4.481 4.660 0.000 0.000 0.311 28 W C 2.249 178.739 176.519 -0.049 0.000 1.213 28 W CA 2.591 59.892 57.345 -0.074 0.000 1.274 28 W CB -0.601 28.805 29.460 -0.090 0.000 1.148 28 W HN -0.033 nan 8.180 nan 0.000 0.498 29 A N 0.350 123.064 122.820 -0.177 0.000 2.121 29 A HA 0.121 4.442 4.320 0.001 0.000 0.218 29 A C 2.000 179.413 177.584 -0.284 0.000 1.154 29 A CA 1.811 53.599 52.037 -0.416 0.000 0.679 29 A CB -1.240 17.702 19.000 -0.097 0.000 0.795 29 A HN 0.455 nan 8.150 nan 0.000 0.458 30 A N -0.490 122.214 122.820 -0.194 0.000 2.072 30 A HA 0.167 4.488 4.320 0.001 0.000 0.216 30 A C 0.894 178.365 177.584 -0.189 0.000 1.156 30 A CA 0.381 52.318 52.037 -0.166 0.000 0.701 30 A CB -0.270 18.654 19.000 -0.127 0.000 0.816 30 A HN 0.496 nan 8.150 nan 0.000 0.458 31 E N -0.444 119.630 120.200 -0.211 0.000 2.966 31 E HA 0.198 4.548 4.350 0.001 0.000 0.254 31 E C 1.326 177.802 176.600 -0.207 0.000 0.923 31 E CA 1.318 57.606 56.400 -0.187 0.000 0.960 31 E CB -0.313 29.259 29.700 -0.212 0.000 0.901 31 E HN 0.741 nan 8.360 nan 0.000 0.525 32 G N 3.217 111.900 108.800 -0.196 0.000 2.253 32 G HA2 -0.297 3.663 3.960 0.001 0.000 0.251 32 G HA3 -0.297 3.663 3.960 0.001 0.000 0.251 32 G C 0.187 174.851 174.900 -0.394 0.000 0.998 32 G CA 0.188 45.136 45.100 -0.252 0.000 0.621 32 G HN 0.467 nan 8.290 nan 0.000 0.524 33 L N 0.821 121.849 121.223 -0.325 0.000 2.395 33 L HA 0.610 4.951 4.340 0.001 0.000 0.269 33 L C 0.607 177.267 176.870 -0.350 0.000 1.133 33 L CA -0.840 53.810 54.840 -0.317 0.000 0.812 33 L CB 0.842 42.784 42.059 -0.194 0.000 1.125 33 L HN 0.247 nan 8.230 nan 0.000 0.452 34 H N 1.172 120.199 119.070 -0.072 0.000 2.492 34 H HA 0.216 4.772 4.556 0.001 0.000 0.345 34 H C 0.141 175.409 175.328 -0.099 0.000 1.136 34 H CA -0.605 55.403 56.048 -0.066 0.000 1.202 34 H CB 1.098 30.843 29.762 -0.028 0.000 1.524 34 H HN 0.676 nan 8.280 nan 0.000 0.506 35 N N 0.173 118.899 118.700 0.042 0.000 2.776 35 N HA -0.189 4.551 4.740 0.001 0.000 0.249 35 N C -1.221 174.188 175.510 -0.168 0.000 1.111 35 N CA 0.683 53.715 53.050 -0.029 0.000 0.711 35 N CB -0.583 37.907 38.487 0.005 0.000 1.065 35 N HN 0.339 nan 8.380 nan 0.000 0.556 36 V N -2.643 117.119 119.914 -0.252 0.000 2.628 36 V HA 0.820 4.940 4.120 0.001 0.000 0.306 36 V C 0.224 176.221 176.094 -0.160 0.000 1.045 36 V CA -0.415 61.588 62.300 -0.495 0.000 0.905 36 V CB 1.964 33.349 31.823 -0.730 0.000 0.997 36 V HN 0.143 nan 8.190 nan 0.000 0.436 37 S N 3.700 119.414 115.700 0.023 0.000 2.433 37 S HA 0.546 5.016 4.470 0.001 0.000 0.310 37 S C 0.832 175.484 174.600 0.087 0.000 1.097 37 S CA -0.792 57.454 58.200 0.076 0.000 1.103 37 S CB 0.743 64.007 63.200 0.107 0.000 0.992 37 S HN 0.713 nan 8.310 nan 0.000 0.469 38 I N 4.009 124.600 120.570 0.035 0.000 2.439 38 I HA -0.102 4.069 4.170 0.001 0.000 0.251 38 I C 2.320 178.456 176.117 0.033 0.000 1.139 38 I CA 0.886 62.196 61.300 0.017 0.000 1.438 38 I CB -0.537 37.441 38.000 -0.036 0.000 1.085 38 I HN 0.652 nan 8.210 nan 0.000 0.427 39 S N 0.302 116.028 115.700 0.043 0.000 2.387 39 S HA -0.110 4.360 4.470 0.001 0.000 0.226 39 S C 1.974 176.556 174.600 -0.030 0.000 1.026 39 S CA 0.434 58.641 58.200 0.011 0.000 0.972 39 S CB -0.365 62.847 63.200 0.020 0.000 0.814 39 S HN 0.372 nan 8.310 nan 0.000 0.477 40 Q N 1.335 121.136 119.800 0.001 0.000 2.045 40 Q HA -0.070 4.270 4.340 0.001 0.000 0.206 40 Q C 2.524 178.488 176.000 -0.060 0.000 0.991 40 Q CA 1.526 57.317 55.803 -0.019 0.000 0.851 40 Q CB -1.036 27.719 28.738 0.027 0.000 0.911 40 Q HN 0.516 nan 8.270 nan 0.000 0.418 41 V N 1.241 121.138 119.914 -0.028 0.000 2.392 41 V HA -0.259 3.862 4.120 0.001 0.000 0.249 41 V C 2.162 178.183 176.094 -0.121 0.000 1.059 41 V CA 1.962 64.230 62.300 -0.054 0.000 1.051 41 V CB -0.481 31.350 31.823 0.013 0.000 0.658 41 V HN 0.391 nan 8.190 nan 0.000 0.455 42 E N -0.058 120.030 120.200 -0.187 0.000 2.015 42 E HA -0.155 4.195 4.350 0.001 0.000 0.191 42 E C 2.277 178.581 176.600 -0.494 0.000 0.991 42 E CA 1.230 57.333 56.400 -0.496 0.000 0.802 42 E CB -0.247 29.123 29.700 -0.550 0.000 0.759 42 E HN 0.464 nan 8.360 nan 0.000 0.447 43 L N 0.779 121.836 121.223 -0.277 0.000 1.997 43 L HA -0.277 4.063 4.340 0.001 0.000 0.216 43 L C 2.685 179.464 176.870 -0.152 0.000 1.074 43 L CA 1.460 56.199 54.840 -0.168 0.000 0.763 43 L CB -0.513 41.484 42.059 -0.102 0.000 0.890 43 L HN 0.105 nan 8.230 nan 0.000 0.434 44 R N -0.359 120.051 120.500 -0.150 0.000 2.120 44 R HA -0.125 4.216 4.340 0.001 0.000 0.234 44 R C 2.485 178.682 176.300 -0.172 0.000 1.123 44 R CA 1.758 57.775 56.100 -0.139 0.000 0.975 44 R CB -0.215 30.007 30.300 -0.131 0.000 0.866 44 R HN 0.560 nan 8.270 nan 0.000 0.446 45 S N -1.524 114.044 115.700 -0.219 0.000 2.499 45 S HA 0.014 4.484 4.470 0.001 0.000 0.225 45 S C 1.625 175.776 174.600 -0.747 0.000 1.050 45 S CA -0.040 57.963 58.200 -0.328 0.000 0.928 45 S CB -0.254 62.846 63.200 -0.167 0.000 0.803 45 S HN 0.408 nan 8.310 nan 0.000 0.506 46 H N 0.500 119.132 119.070 -0.730 0.000 2.389 46 H HA 0.086 4.642 4.556 0.001 0.000 0.299 46 H C 1.930 176.958 175.328 -0.501 0.000 1.081 46 H CA 1.214 56.783 56.048 -0.799 0.000 1.345 46 H CB -0.097 29.550 29.762 -0.192 0.000 1.393 46 H HN 0.320 nan 8.280 nan 0.000 0.520 47 I N 1.588 122.058 120.570 -0.167 0.000 2.657 47 I HA -0.250 3.920 4.170 0.001 0.000 0.261 47 I C 1.466 177.533 176.117 -0.082 0.000 1.212 47 I CA 1.456 62.704 61.300 -0.087 0.000 1.453 47 I CB -0.124 37.837 38.000 -0.065 0.000 1.092 47 I HN 0.271 nan 8.210 nan 0.000 0.452 48 Q N -1.126 118.560 119.800 -0.190 0.000 2.319 48 Q HA 0.127 4.467 4.340 0.001 0.000 0.209 48 Q C -0.201 175.888 176.000 0.148 0.000 0.884 48 Q CA -0.221 55.559 55.803 -0.038 0.000 0.938 48 Q CB 0.238 28.939 28.738 -0.062 0.000 1.098 48 Q HN 0.223 nan 8.270 nan 0.000 0.517 49 F N 1.626 121.604 119.950 0.047 0.000 2.456 49 F HA 0.183 4.711 4.527 0.001 0.000 0.358 49 F C 0.075 175.883 175.800 0.014 0.000 1.095 49 F CA -1.431 56.524 58.000 -0.075 0.000 1.216 49 F CB -0.196 38.713 39.000 -0.151 0.000 1.125 49 F HN -0.019 nan 8.300 nan 0.000 0.549 50 Y N -1.214 119.185 120.300 0.166 0.000 2.536 50 Y HA 0.390 4.940 4.550 0.001 0.000 0.347 50 Y C -0.188 175.732 175.900 0.032 0.000 1.000 50 Y CA -1.814 56.331 58.100 0.076 0.000 1.051 50 Y CB 0.574 39.065 38.460 0.052 0.000 1.259 50 Y HN 0.537 nan 8.280 nan 0.000 0.468 51 D N 1.464 121.960 120.400 0.159 0.000 2.479 51 D HA 0.223 4.863 4.640 0.001 0.000 0.257 51 D C 1.061 177.416 176.300 0.091 0.000 1.230 51 D CA 2.454 56.496 54.000 0.070 0.000 0.912 51 D CB 0.366 41.209 40.800 0.073 0.000 1.130 51 D HN 1.100 nan 8.370 nan 0.000 0.515 52 G N 4.042 112.830 108.800 -0.020 0.000 2.201 52 G HA2 -0.262 3.698 3.960 0.001 0.000 0.212 52 G HA3 -0.262 3.698 3.960 0.001 0.000 0.212 52 G C 0.745 175.596 174.900 -0.082 0.000 0.994 52 G CA -0.072 45.023 45.100 -0.008 0.000 0.644 52 G HN 0.636 nan 8.290 nan 0.000 0.508 53 I N 2.607 122.972 120.570 -0.341 0.000 2.906 53 I HA 0.175 4.345 4.170 0.001 0.000 0.302 53 I C 1.294 177.229 176.117 -0.303 0.000 1.220 53 I CA 0.313 61.266 61.300 -0.579 0.000 1.441 53 I CB 0.340 37.681 38.000 -1.098 0.000 1.336 53 I HN 0.403 nan 8.210 nan 0.000 0.565 54 K N 4.990 125.282 120.400 -0.179 0.000 2.168 54 K HA 0.214 4.535 4.320 0.001 0.000 0.258 54 K C 0.522 177.010 176.600 -0.187 0.000 1.010 54 K CA -0.396 55.811 56.287 -0.132 0.000 0.929 54 K CB 0.931 33.402 32.500 -0.049 0.000 0.998 54 K HN 0.639 nan 8.250 nan 0.000 0.479 55 T N 0.753 115.204 114.554 -0.171 0.000 2.821 55 T HA -0.129 4.222 4.350 0.001 0.000 0.267 55 T C 1.866 176.397 174.700 -0.281 0.000 1.046 55 T CA 1.531 63.469 62.100 -0.270 0.000 1.139 55 T CB -0.311 68.449 68.868 -0.180 0.000 0.871 55 T HN 0.670 nan 8.240 nan 0.000 0.454 56 S N 2.329 117.998 115.700 -0.053 0.000 2.381 56 S HA -0.214 4.257 4.470 0.001 0.000 0.230 56 S C 1.698 176.275 174.600 -0.039 0.000 1.052 56 S CA 1.587 59.838 58.200 0.086 0.000 1.068 56 S CB -0.504 62.763 63.200 0.112 0.000 0.918 56 S HN 0.538 nan 8.310 nan 0.000 0.448 57 D N 0.908 121.260 120.400 -0.080 0.000 2.234 57 D HA 0.127 4.768 4.640 0.001 0.000 0.205 57 D C 1.848 178.102 176.300 -0.075 0.000 0.962 57 D CA 0.451 54.419 54.000 -0.053 0.000 0.855 57 D CB -0.226 40.562 40.800 -0.019 0.000 0.951 57 D HN 0.387 nan 8.370 nan 0.000 0.500 58 I N 0.607 121.034 120.570 -0.238 0.000 2.252 58 I HA -0.251 3.919 4.170 0.001 0.000 0.245 58 I C 2.085 178.150 176.117 -0.085 0.000 1.102 58 I CA 1.169 62.310 61.300 -0.265 0.000 1.385 58 I CB -0.420 37.214 38.000 -0.610 0.000 1.064 58 I HN 0.086 nan 8.210 nan 0.000 0.414 59 H N 0.632 119.670 119.070 -0.052 0.000 2.326 59 H HA -0.133 4.423 4.556 0.001 0.000 0.301 59 H C 2.148 177.413 175.328 -0.105 0.000 1.081 59 H CA 1.289 57.290 56.048 -0.079 0.000 1.334 59 H CB -0.029 29.635 29.762 -0.163 0.000 1.385 59 H HN 0.332 nan 8.280 nan 0.000 0.504 60 E N 0.091 120.259 120.200 -0.055 0.000 2.118 60 E HA -0.143 4.207 4.350 0.001 0.000 0.195 60 E C 2.017 178.643 176.600 0.043 0.000 0.992 60 E CA 1.605 57.987 56.400 -0.030 0.000 0.804 60 E CB -0.006 29.675 29.700 -0.032 0.000 0.741 60 E HN 0.420 nan 8.360 nan 0.000 0.458 61 T N 1.950 116.556 114.554 0.085 0.000 2.770 61 T HA -0.088 4.263 4.350 0.001 0.000 0.263 61 T C 1.951 176.701 174.700 0.084 0.000 1.039 61 T CA 1.048 63.210 62.100 0.102 0.000 1.142 61 T CB -0.135 68.851 68.868 0.197 0.000 0.868 61 T HN 0.283 nan 8.240 nan 0.000 0.435 62 I N 0.266 120.925 120.570 0.148 0.000 2.676 62 I HA -0.007 4.163 4.170 0.001 0.000 0.259 62 I C 1.871 178.021 176.117 0.055 0.000 1.194 62 I CA 1.405 62.776 61.300 0.119 0.000 1.473 62 I CB -0.652 37.463 38.000 0.192 0.000 1.096 62 I HN 0.242 nan 8.210 nan 0.000 0.443 63 I N 1.743 122.346 120.570 0.055 0.000 2.193 63 I HA -0.243 3.928 4.170 0.001 0.000 0.240 63 I C 2.694 178.762 176.117 -0.081 0.000 1.084 63 I CA 1.408 62.721 61.300 0.022 0.000 1.365 63 I CB -0.403 37.657 38.000 0.101 0.000 1.064 63 I HN 0.162 nan 8.210 nan 0.000 0.410 64 K N 1.401 121.779 120.400 -0.037 0.000 2.103 64 K HA -0.187 4.133 4.320 0.001 0.000 0.207 64 K C 2.125 178.652 176.600 -0.121 0.000 1.048 64 K CA 1.517 57.761 56.287 -0.072 0.000 0.930 64 K CB -0.134 32.361 32.500 -0.008 0.000 0.716 64 K HN 0.298 nan 8.250 nan 0.000 0.444 65 A N 0.986 123.751 122.820 -0.093 0.000 1.877 65 A HA -0.117 4.203 4.320 0.001 0.000 0.216 65 A C 2.390 179.865 177.584 -0.180 0.000 1.186 65 A CA 1.958 53.922 52.037 -0.121 0.000 0.620 65 A CB -1.072 17.873 19.000 -0.093 0.000 0.822 65 A HN 0.485 nan 8.150 nan 0.000 0.443 66 A N -0.246 122.486 122.820 -0.147 0.000 1.933 66 A HA 0.140 4.461 4.320 0.001 0.000 0.218 66 A C 2.490 179.914 177.584 -0.266 0.000 1.175 66 A CA 2.160 54.110 52.037 -0.146 0.000 0.628 66 A CB -0.984 18.004 19.000 -0.020 0.000 0.814 66 A HN 1.092 nan 8.150 nan 0.000 0.444 67 A N -0.073 122.528 122.820 -0.366 0.000 1.933 67 A HA -0.162 4.158 4.320 0.001 0.000 0.218 67 A C 1.657 179.062 177.584 -0.298 0.000 1.175 67 A CA 1.793 53.527 52.037 -0.506 0.000 0.628 67 A CB -0.526 18.018 19.000 -0.760 0.000 0.814 67 A HN 0.429 nan 8.150 nan 0.000 0.444 68 D N -0.448 119.803 120.400 -0.248 0.000 2.350 68 D HA -0.010 4.631 4.640 0.001 0.000 0.216 68 D C 1.474 177.622 176.300 -0.254 0.000 0.968 68 D CA 0.604 54.486 54.000 -0.196 0.000 0.894 68 D CB -0.073 40.635 40.800 -0.153 0.000 0.909 68 D HN 0.445 nan 8.370 nan 0.000 0.520 69 L N 0.248 121.224 121.223 -0.412 0.000 2.567 69 L HA 0.162 4.503 4.340 0.001 0.000 0.225 69 L C 0.708 177.337 176.870 -0.403 0.000 1.119 69 L CA -0.110 54.364 54.840 -0.609 0.000 0.871 69 L CB 0.270 41.507 42.059 -1.371 0.000 1.036 69 L HN -0.126 nan 8.230 nan 0.000 0.459 70 I N 0.691 121.138 120.570 -0.205 0.000 2.741 70 I HA -0.077 4.093 4.170 0.001 0.000 0.288 70 I C 0.548 176.641 176.117 -0.039 0.000 1.192 70 I CA 0.617 61.901 61.300 -0.028 0.000 1.426 70 I CB 0.101 38.081 38.000 -0.033 0.000 1.367 70 I HN 0.226 nan 8.210 nan 0.000 0.563 71 S N 5.891 121.589 115.700 -0.005 0.000 2.615 71 S HA 0.402 4.872 4.470 0.001 0.000 0.269 71 S C 0.685 175.225 174.600 -0.101 0.000 1.161 71 S CA -1.170 56.997 58.200 -0.054 0.000 0.817 71 S CB 1.652 64.827 63.200 -0.042 0.000 1.131 71 S HN 0.682 nan 8.310 nan 0.000 0.467 72 R N 0.890 121.258 120.500 -0.220 0.000 2.127 72 R HA -0.105 4.235 4.340 0.001 0.000 0.238 72 R C 0.360 176.519 176.300 -0.235 0.000 1.134 72 R CA 1.748 57.555 56.100 -0.487 0.000 0.975 72 R CB -1.120 28.625 30.300 -0.926 0.000 0.865 72 R HN 0.697 nan 8.270 nan 0.000 0.447 73 D N 1.250 121.598 120.400 -0.085 0.000 2.194 73 D HA 0.040 4.680 4.640 0.001 0.000 0.204 73 D C 0.255 176.582 176.300 0.045 0.000 0.964 73 D CA 1.249 55.254 54.000 0.009 0.000 0.846 73 D CB 0.274 41.078 40.800 0.005 0.000 0.962 73 D HN 0.354 nan 8.370 nan 0.000 0.490 74 A N 1.576 124.437 122.820 0.068 0.000 3.064 74 A HA 0.320 4.640 4.320 0.001 0.000 0.339 74 A C -1.764 175.891 177.584 0.117 0.000 1.078 74 A CA -0.997 51.106 52.037 0.110 0.000 0.869 74 A CB 0.881 20.030 19.000 0.249 0.000 1.067 74 A HN -0.096 nan 8.150 nan 0.000 0.480 75 P HA -0.098 nan 4.420 nan 0.000 0.223 75 P C 0.250 177.603 177.300 0.087 0.000 1.151 75 P CA 1.008 64.152 63.100 0.073 0.000 0.787 75 P CB 0.340 32.103 31.700 0.105 0.000 0.788 76 D N -1.312 119.130 120.400 0.069 0.000 2.350 76 D HA -0.116 4.524 4.640 0.001 0.000 0.216 76 D C 1.678 177.978 176.300 0.000 0.000 0.968 76 D CA 0.690 54.739 54.000 0.081 0.000 0.894 76 D CB -0.790 40.008 40.800 -0.003 0.000 0.909 76 D HN 0.165 nan 8.370 nan 0.000 0.520 77 Y N 1.115 121.417 120.300 0.004 0.000 2.207 77 Y HA -0.214 4.336 4.550 0.001 0.000 0.287 77 Y C 2.472 178.322 175.900 -0.083 0.000 1.156 77 Y CA 1.127 59.199 58.100 -0.046 0.000 1.182 77 Y CB -0.455 37.960 38.460 -0.075 0.000 0.979 77 Y HN 0.048 nan 8.280 nan 0.000 0.521 78 Q N -1.139 118.683 119.800 0.036 0.000 2.156 78 Q HA -0.294 4.046 4.340 0.001 0.000 0.211 78 Q C 1.655 177.520 176.000 -0.225 0.000 0.995 78 Q CA 2.303 58.026 55.803 -0.134 0.000 0.877 78 Q CB -0.309 28.254 28.738 -0.292 0.000 0.920 78 Q HN 0.597 nan 8.270 nan 0.000 0.416 79 Y N -1.085 119.253 120.300 0.064 0.000 2.347 79 Y HA -0.116 4.434 4.550 0.000 0.000 0.294 79 Y C 1.834 177.752 175.900 0.029 0.000 1.117 79 Y CA 0.554 58.683 58.100 0.048 0.000 1.184 79 Y CB -0.327 38.132 38.460 -0.002 0.000 1.047 79 Y HN 0.164 nan 8.280 nan 0.000 0.546 80 L N 0.648 121.939 121.223 0.114 0.000 2.042 80 L HA -0.168 4.172 4.340 0.001 0.000 0.210 80 L C 2.292 179.208 176.870 0.075 0.000 1.076 80 L CA 2.135 57.008 54.840 0.055 0.000 0.749 80 L CB -1.154 40.923 42.059 0.030 0.000 0.893 80 L HN 0.134 nan 8.230 nan 0.000 0.432 81 A N -0.536 122.310 122.820 0.043 0.000 1.902 81 A HA -0.083 4.237 4.320 0.001 0.000 0.217 81 A C 2.447 180.149 177.584 0.198 0.000 1.181 81 A CA 1.956 53.972 52.037 -0.035 0.000 0.623 81 A CB -1.157 17.563 19.000 -0.466 0.000 0.818 81 A HN 0.618 nan 8.150 nan 0.000 0.443 82 A N -0.178 122.811 122.820 0.282 0.000 1.855 82 A HA -0.128 4.193 4.320 0.001 0.000 0.215 82 A C 2.218 179.991 177.584 0.316 0.000 1.191 82 A CA 1.357 53.605 52.037 0.350 0.000 0.613 82 A CB -0.503 18.684 19.000 0.313 0.000 0.829 82 A HN 0.434 nan 8.150 nan 0.000 0.442 83 R N -0.200 120.454 120.500 0.256 0.000 2.136 83 R HA -0.198 4.142 4.340 0.001 0.000 0.242 83 R C 2.103 178.646 176.300 0.406 0.000 1.131 83 R CA 1.817 58.056 56.100 0.232 0.000 0.937 83 R CB -1.374 28.900 30.300 -0.043 0.000 0.863 83 R HN 0.576 nan 8.270 nan 0.000 0.435 84 L N 0.394 121.804 121.223 0.312 0.000 2.079 84 L HA -0.158 4.182 4.340 0.001 0.000 0.210 84 L C 2.753 179.841 176.870 0.362 0.000 1.081 84 L CA 1.428 56.456 54.840 0.315 0.000 0.752 84 L CB -0.614 41.548 42.059 0.172 0.000 0.896 84 L HN 0.223 nan 8.230 nan 0.000 0.433 85 A N -0.096 122.930 122.820 0.343 0.000 1.930 85 A HA -0.146 4.174 4.320 0.001 0.000 0.217 85 A C 2.212 179.988 177.584 0.320 0.000 1.175 85 A CA 1.166 53.408 52.037 0.341 0.000 0.627 85 A CB -0.422 18.775 19.000 0.329 0.000 0.815 85 A HN 0.244 nan 8.150 nan 0.000 0.443 86 I N -1.374 119.402 120.570 0.344 0.000 2.179 86 I HA -0.206 3.964 4.170 0.001 0.000 0.242 86 I C 2.307 178.641 176.117 0.361 0.000 1.088 86 I CA 1.289 62.781 61.300 0.320 0.000 1.357 86 I CB -1.405 36.834 38.000 0.397 0.000 1.051 86 I HN 0.471 nan 8.210 nan 0.000 0.409 87 F N 1.619 121.807 119.950 0.397 0.000 2.043 87 F HA -0.373 4.154 4.527 0.001 0.000 0.297 87 F C 2.941 178.818 175.800 0.128 0.000 1.118 87 F CA 2.522 60.735 58.000 0.355 0.000 1.202 87 F CB -0.538 38.631 39.000 0.281 0.000 0.965 87 F HN 0.222 nan 8.300 nan 0.000 0.482 88 H N -0.029 119.224 119.070 0.305 0.000 2.421 88 H HA -0.127 4.430 4.556 0.001 0.000 0.298 88 H C 2.004 177.341 175.328 0.016 0.000 1.087 88 H CA 2.155 58.237 56.048 0.056 0.000 1.330 88 H CB -0.404 29.390 29.762 0.053 0.000 1.388 88 H HN 0.411 nan 8.280 nan 0.000 0.526 89 L N -0.402 120.755 121.223 -0.110 0.000 2.156 89 L HA -0.091 4.249 4.340 0.001 0.000 0.208 89 L C 2.619 179.314 176.870 -0.292 0.000 1.095 89 L CA 0.620 55.323 54.840 -0.228 0.000 0.770 89 L CB -0.204 41.798 42.059 -0.095 0.000 0.914 89 L HN 0.268 nan 8.230 nan 0.000 0.439 90 R N 0.458 120.820 120.500 -0.230 0.000 2.070 90 R HA -0.147 4.194 4.340 0.001 0.000 0.233 90 R C 2.167 178.295 176.300 -0.287 0.000 1.137 90 R CA 1.244 57.175 56.100 -0.281 0.000 0.945 90 R CB -0.526 29.616 30.300 -0.262 0.000 0.845 90 R HN 0.382 nan 8.270 nan 0.000 0.430 91 K N 0.832 121.088 120.400 -0.241 0.000 2.044 91 K HA -0.199 4.121 4.320 0.001 0.000 0.210 91 K C 2.098 178.590 176.600 -0.180 0.000 1.049 91 K CA 1.368 57.557 56.287 -0.163 0.000 0.927 91 K CB -0.228 32.217 32.500 -0.092 0.000 0.713 91 K HN -0.047 nan 8.250 nan 0.000 0.443 92 K N 0.622 120.855 120.400 -0.279 0.000 2.218 92 K HA -0.152 4.168 4.320 0.001 0.000 0.205 92 K C 1.658 178.093 176.600 -0.275 0.000 1.046 92 K CA 1.471 57.591 56.287 -0.278 0.000 0.933 92 K CB -0.029 32.245 32.500 -0.378 0.000 0.728 92 K HN 0.243 nan 8.250 nan 0.000 0.454 93 A N -1.711 120.871 122.820 -0.396 0.000 2.055 93 A HA 0.140 4.460 4.320 0.001 0.000 0.205 93 A C 0.812 178.181 177.584 -0.360 0.000 1.235 93 A CA 0.252 51.978 52.037 -0.517 0.000 0.822 93 A CB 0.071 18.504 19.000 -0.944 0.000 0.903 93 A HN 0.293 nan 8.150 nan 0.000 0.473 94 Y N -1.375 118.890 120.300 -0.059 0.000 2.563 94 Y HA 0.403 4.953 4.550 0.000 0.000 0.250 94 Y C 1.784 177.653 175.900 -0.051 0.000 1.126 94 Y CA -0.488 57.584 58.100 -0.047 0.000 1.231 94 Y CB 0.062 38.460 38.460 -0.104 0.000 1.288 94 Y HN 0.382 nan 8.280 nan 0.000 0.537 95 G N 0.825 109.655 108.800 0.049 0.000 2.257 95 G HA2 -0.306 3.655 3.960 0.001 0.000 0.267 95 G HA3 -0.306 3.655 3.960 0.001 0.000 0.267 95 G C 0.190 175.098 174.900 0.013 0.000 0.984 95 G CA 0.958 46.074 45.100 0.025 0.000 0.626 95 G HN 0.503 nan 8.290 nan 0.000 0.540 96 Q N -2.628 117.181 119.800 0.014 0.000 2.648 96 Q HA 0.713 5.053 4.340 0.001 0.000 0.300 96 Q C 0.511 176.475 176.000 -0.060 0.000 0.954 96 Q CA -0.619 55.169 55.803 -0.025 0.000 0.757 96 Q CB 0.220 28.953 28.738 -0.009 0.000 1.482 96 Q HN 0.388 nan 8.270 nan 0.000 0.437 97 F N 0.779 120.550 119.950 -0.298 0.000 2.186 97 F HA 0.080 4.607 4.527 0.001 0.000 0.299 97 F C 0.535 176.192 175.800 -0.238 0.000 1.090 97 F CA 1.145 58.910 58.000 -0.392 0.000 1.307 97 F CB 0.480 39.149 39.000 -0.552 0.000 1.019 97 F HN 0.514 nan 8.300 nan 0.000 0.489 98 E N 2.731 122.823 120.200 -0.180 0.000 2.217 98 E HA 0.151 4.502 4.350 0.001 0.000 0.279 98 E C -2.261 174.097 176.600 -0.402 0.000 1.068 98 E CA -2.061 54.172 56.400 -0.278 0.000 0.882 98 E CB 0.490 30.132 29.700 -0.097 0.000 1.039 98 E HN 0.117 nan 8.360 nan 0.000 0.418 99 P HA 0.128 nan 4.420 nan 0.000 0.272 99 P C -2.317 174.661 177.300 -0.536 0.000 1.223 99 P CA -1.064 61.436 63.100 -1.000 0.000 0.784 99 P CB -0.077 30.777 31.700 -1.410 0.000 0.923 100 P HA 0.100 nan 4.420 nan 0.000 0.273 100 P C -0.603 176.714 177.300 0.028 0.000 1.250 100 P CA -0.231 62.789 63.100 -0.134 0.000 0.793 100 P CB 0.289 31.948 31.700 -0.068 0.000 1.011 101 A N 0.953 123.793 122.820 0.034 0.000 2.462 101 A HA 0.041 4.361 4.320 0.001 0.000 0.243 101 A C 1.414 179.017 177.584 0.033 0.000 1.076 101 A CA -0.393 51.688 52.037 0.073 0.000 0.773 101 A CB -0.553 18.480 19.000 0.056 0.000 1.010 101 A HN 0.623 nan 8.150 nan 0.000 0.493 102 L N 2.457 123.696 121.223 0.027 0.000 2.021 102 L HA -0.232 4.108 4.340 0.001 0.000 0.215 102 L C 2.004 178.744 176.870 -0.215 0.000 1.074 102 L CA 2.658 57.391 54.840 -0.178 0.000 0.760 102 L CB -1.215 40.821 42.059 -0.039 0.000 0.889 102 L HN 0.875 nan 8.230 nan 0.000 0.433 103 Y N 0.731 120.902 120.300 -0.214 0.000 2.097 103 Y HA -0.299 4.252 4.550 0.000 0.000 0.282 103 Y C 2.416 178.146 175.900 -0.283 0.000 1.152 103 Y CA 2.273 60.177 58.100 -0.327 0.000 1.136 103 Y CB -0.491 37.879 38.460 -0.150 0.000 0.975 103 Y HN 0.395 nan 8.280 nan 0.000 0.498 104 D N -1.383 118.930 120.400 -0.145 0.000 2.104 104 D HA -0.257 4.383 4.640 0.001 0.000 0.194 104 D C 1.989 178.151 176.300 -0.231 0.000 0.994 104 D CA 1.996 55.892 54.000 -0.173 0.000 0.830 104 D CB -0.740 40.041 40.800 -0.033 0.000 0.959 104 D HN 0.520 nan 8.370 nan 0.000 0.452 105 H N 1.203 120.101 119.070 -0.286 0.000 2.289 105 H HA -0.120 4.437 4.556 0.001 0.000 0.296 105 H C 2.114 177.253 175.328 -0.315 0.000 1.091 105 H CA 1.851 57.732 56.048 -0.277 0.000 1.274 105 H CB -0.371 29.149 29.762 -0.404 0.000 1.364 105 H HN -0.110 nan 8.280 nan 0.000 0.490 106 V N -0.282 119.380 119.914 -0.420 0.000 2.287 106 V HA -0.270 3.850 4.120 0.001 0.000 0.248 106 V C 2.683 178.519 176.094 -0.431 0.000 1.053 106 V CA 1.641 63.721 62.300 -0.368 0.000 1.027 106 V CB -0.696 30.772 31.823 -0.591 0.000 0.646 106 V HN 0.354 nan 8.190 nan 0.000 0.447 107 V N -0.175 119.385 119.914 -0.589 0.000 2.255 107 V HA -0.335 3.785 4.120 0.001 0.000 0.247 107 V C 2.443 178.333 176.094 -0.341 0.000 1.051 107 V CA 2.481 64.492 62.300 -0.482 0.000 1.018 107 V CB -0.724 30.756 31.823 -0.571 0.000 0.641 107 V HN 0.536 nan 8.190 nan 0.000 0.445 108 K N -0.820 119.374 120.400 -0.342 0.000 2.103 108 K HA -0.187 4.133 4.320 0.001 0.000 0.207 108 K C 2.149 178.526 176.600 -0.373 0.000 1.048 108 K CA 1.524 57.635 56.287 -0.295 0.000 0.930 108 K CB -0.084 32.273 32.500 -0.238 0.000 0.716 108 K HN 0.303 nan 8.250 nan 0.000 0.444 109 M N 0.104 119.387 119.600 -0.529 0.000 2.236 109 M HA -0.084 4.396 4.480 0.001 0.000 0.266 109 M C 2.196 178.246 176.300 -0.417 0.000 1.070 109 M CA 0.818 55.708 55.300 -0.683 0.000 1.137 109 M CB -0.395 31.377 32.600 -1.380 0.000 1.378 109 M HN -0.036 nan 8.290 nan 0.000 0.426 110 V N 0.496 120.256 119.914 -0.257 0.000 2.343 110 V HA -0.250 3.870 4.120 0.001 0.000 0.247 110 V C 2.344 178.352 176.094 -0.143 0.000 1.051 110 V CA 1.934 64.155 62.300 -0.131 0.000 1.036 110 V CB -0.698 31.067 31.823 -0.096 0.000 0.654 110 V HN 0.482 nan 8.190 nan 0.000 0.451 111 E N -0.230 119.866 120.200 -0.174 0.000 2.051 111 E HA -0.234 4.116 4.350 0.001 0.000 0.192 111 E C 2.110 178.619 176.600 -0.151 0.000 0.991 111 E CA 1.515 57.829 56.400 -0.144 0.000 0.799 111 E CB -0.149 29.462 29.700 -0.149 0.000 0.748 111 E HN 0.516 nan 8.360 nan 0.000 0.449 112 M N -0.816 118.657 119.600 -0.212 0.000 2.686 112 M HA 0.053 4.533 4.480 0.001 0.000 0.246 112 M C 1.093 177.263 176.300 -0.217 0.000 1.096 112 M CA 0.864 56.025 55.300 -0.232 0.000 1.076 112 M CB 0.536 32.928 32.600 -0.347 0.000 1.504 112 M HN 0.383 nan 8.290 nan 0.000 0.524 113 G N 0.513 109.207 108.800 -0.176 0.000 2.143 113 G HA2 -0.243 3.718 3.960 0.001 0.000 0.248 113 G HA3 -0.243 3.718 3.960 0.001 0.000 0.248 113 G C 0.910 175.740 174.900 -0.118 0.000 0.991 113 G CA 0.304 45.334 45.100 -0.117 0.000 0.689 113 G HN 0.371 nan 8.290 nan 0.000 0.522 114 K N -1.232 119.047 120.400 -0.201 0.000 2.276 114 K HA 0.211 4.532 4.320 0.001 0.000 0.198 114 K C 0.467 177.087 176.600 0.032 0.000 1.052 114 K CA 0.490 56.667 56.287 -0.183 0.000 0.984 114 K CB 0.382 32.614 32.500 -0.445 0.000 0.836 114 K HN 0.397 nan 8.250 nan 0.000 0.490 115 Y N 1.582 121.810 120.300 -0.120 0.000 2.419 115 Y HA 0.205 4.756 4.550 0.001 0.000 0.328 115 Y C 0.479 176.344 175.900 -0.058 0.000 1.162 115 Y CA -2.280 55.770 58.100 -0.083 0.000 1.174 115 Y CB 0.556 38.932 38.460 -0.139 0.000 1.228 115 Y HN -0.052 nan 8.280 nan 0.000 0.473 116 D N 1.884 122.362 120.400 0.129 0.000 2.390 116 D HA -0.090 4.550 4.640 0.001 0.000 0.249 116 D C 1.056 177.367 176.300 0.018 0.000 1.144 116 D CA 0.241 54.292 54.000 0.085 0.000 0.880 116 D CB 0.706 41.603 40.800 0.162 0.000 1.182 116 D HN 0.731 nan 8.370 nan 0.000 0.451 117 N N 3.145 121.878 118.700 0.055 0.000 2.272 117 N HA -0.282 4.458 4.740 0.001 0.000 0.185 117 N C 1.638 177.199 175.510 0.085 0.000 1.014 117 N CA 1.002 54.082 53.050 0.050 0.000 0.870 117 N CB -0.104 38.413 38.487 0.051 0.000 0.975 117 N HN 0.611 nan 8.380 nan 0.000 0.433 118 H N 0.504 119.642 119.070 0.114 0.000 2.460 118 H HA -0.075 4.481 4.556 0.001 0.000 0.297 118 H C 2.183 177.633 175.328 0.202 0.000 1.103 118 H CA 1.253 57.382 56.048 0.135 0.000 1.292 118 H CB -0.660 29.177 29.762 0.126 0.000 1.376 118 H HN 0.213 nan 8.280 nan 0.000 0.531 119 L N -0.287 120.780 121.223 -0.259 0.000 2.079 119 L HA -0.171 4.169 4.340 0.001 0.000 0.210 119 L C 2.479 179.602 176.870 0.420 0.000 1.081 119 L CA 1.323 56.202 54.840 0.064 0.000 0.752 119 L CB -0.295 41.767 42.059 0.005 0.000 0.896 119 L HN 0.371 nan 8.230 nan 0.000 0.433 120 L N -0.984 120.408 121.223 0.283 0.000 2.095 120 L HA -0.160 4.180 4.340 0.001 0.000 0.204 120 L C 2.441 179.484 176.870 0.288 0.000 1.080 120 L CA 1.002 56.046 54.840 0.339 0.000 0.759 120 L CB -0.376 41.777 42.059 0.157 0.000 0.914 120 L HN 0.228 nan 8.230 nan 0.000 0.439 121 E N 0.114 120.439 120.200 0.207 0.000 2.118 121 E HA -0.223 4.128 4.350 0.001 0.000 0.195 121 E C 1.328 178.000 176.600 0.120 0.000 0.992 121 E CA 1.366 57.858 56.400 0.153 0.000 0.804 121 E CB -0.017 29.765 29.700 0.138 0.000 0.741 121 E HN 0.470 nan 8.360 nan 0.000 0.458 122 D N -1.186 119.298 120.400 0.139 0.000 2.346 122 D HA 0.021 4.661 4.640 0.001 0.000 0.206 122 D C -0.303 175.794 176.300 -0.338 0.000 1.001 122 D CA 0.687 54.651 54.000 -0.061 0.000 0.871 122 D CB 0.293 41.083 40.800 -0.016 0.000 0.943 122 D HN 0.124 nan 8.370 nan 0.000 0.518 123 Y N -0.142 120.153 120.300 -0.009 0.000 2.462 123 Y HA 0.303 4.853 4.550 0.001 0.000 0.346 123 Y C 0.676 176.554 175.900 -0.037 0.000 0.976 123 Y CA -1.227 56.746 58.100 -0.211 0.000 1.044 123 Y CB 1.663 39.634 38.460 -0.814 0.000 1.230 123 Y HN -0.320 nan 8.280 nan 0.000 0.455 124 T N -2.446 112.164 114.554 0.093 0.000 2.918 124 T HA 0.181 4.531 4.350 0.001 0.000 0.283 124 T C 1.070 175.902 174.700 0.220 0.000 1.001 124 T CA -0.475 61.712 62.100 0.145 0.000 1.041 124 T CB 1.523 70.421 68.868 0.050 0.000 1.028 124 T HN 0.877 nan 8.240 nan 0.000 0.511 125 E N 0.771 121.060 120.200 0.148 0.000 2.147 125 E HA -0.304 4.046 4.350 0.001 0.000 0.199 125 E C 1.513 178.066 176.600 -0.078 0.000 1.005 125 E CA 1.957 58.251 56.400 -0.177 0.000 0.810 125 E CB -0.214 29.053 29.700 -0.722 0.000 0.736 125 E HN 0.776 nan 8.360 nan 0.000 0.460 126 E N 0.563 120.732 120.200 -0.053 0.000 2.107 126 E HA -0.117 4.234 4.350 0.001 0.000 0.191 126 E C 1.907 178.485 176.600 -0.036 0.000 0.982 126 E CA 1.342 57.711 56.400 -0.051 0.000 0.809 126 E CB -0.040 29.632 29.700 -0.047 0.000 0.756 126 E HN 0.435 nan 8.360 nan 0.000 0.459 127 E N -0.460 119.726 120.200 -0.024 0.000 2.077 127 E HA -0.160 4.190 4.350 0.001 0.000 0.193 127 E C 1.665 178.182 176.600 -0.138 0.000 0.989 127 E CA 0.779 57.143 56.400 -0.061 0.000 0.800 127 E CB -0.188 29.514 29.700 0.003 0.000 0.746 127 E HN 0.226 nan 8.360 nan 0.000 0.452 128 F N 1.563 121.515 119.950 0.004 0.000 2.134 128 F HA -0.165 4.362 4.527 0.001 0.000 0.299 128 F C 2.266 178.014 175.800 -0.087 0.000 1.097 128 F CA 0.987 58.972 58.000 -0.026 0.000 1.264 128 F CB -0.180 38.913 39.000 0.156 0.000 1.001 128 F HN -0.159 nan 8.300 nan 0.000 0.479 129 K N 0.150 120.598 120.400 0.079 0.000 2.103 129 K HA -0.213 4.107 4.320 0.001 0.000 0.207 129 K C 2.053 178.575 176.600 -0.130 0.000 1.048 129 K CA 1.185 57.457 56.287 -0.025 0.000 0.930 129 K CB -0.718 31.749 32.500 -0.055 0.000 0.716 129 K HN 0.403 nan 8.250 nan 0.000 0.444 130 Q N -0.188 119.492 119.800 -0.200 0.000 2.163 130 Q HA 0.080 4.421 4.340 0.001 0.000 0.198 130 Q C 2.138 177.644 176.000 -0.824 0.000 0.954 130 Q CA 0.540 56.108 55.803 -0.391 0.000 0.851 130 Q CB 0.167 28.730 28.738 -0.292 0.000 0.928 130 Q HN 0.273 nan 8.270 nan 0.000 0.459 131 M N 0.404 119.628 119.600 -0.627 0.000 2.117 131 M HA -0.189 4.291 4.480 0.001 0.000 0.262 131 M C 1.562 177.587 176.300 -0.459 0.000 1.065 131 M CA 1.281 56.190 55.300 -0.653 0.000 1.114 131 M CB -0.239 32.227 32.600 -0.224 0.000 1.361 131 M HN 0.089 nan 8.290 nan 0.000 0.408 132 D N 0.024 120.275 120.400 -0.248 0.000 2.265 132 D HA -0.139 4.501 4.640 0.001 0.000 0.208 132 D C 1.899 178.110 176.300 -0.148 0.000 0.977 132 D CA 1.759 55.691 54.000 -0.114 0.000 0.871 132 D CB 0.024 40.812 40.800 -0.020 0.000 0.925 132 D HN 0.435 nan 8.370 nan 0.000 0.485 133 T N -2.816 111.578 114.554 -0.267 0.000 3.088 133 T HA -0.034 4.317 4.350 0.001 0.000 0.259 133 T C 1.745 176.417 174.700 -0.047 0.000 1.122 133 T CA 0.126 62.129 62.100 -0.162 0.000 1.095 133 T CB -0.456 68.316 68.868 -0.159 0.000 0.930 133 T HN -0.081 nan 8.240 nan 0.000 0.508 134 F N 1.758 121.641 119.950 -0.113 0.000 2.206 134 F HA 0.420 4.948 4.527 0.000 0.000 0.298 134 F C 1.340 177.024 175.800 -0.194 0.000 1.090 134 F CA -1.490 56.424 58.000 -0.143 0.000 1.323 134 F CB -0.857 38.016 39.000 -0.212 0.000 1.028 134 F HN 0.177 nan 8.300 nan 0.000 0.492 135 I N 1.529 122.011 120.570 -0.146 0.000 2.775 135 I HA -0.111 4.059 4.170 0.001 0.000 0.290 135 I C 0.007 176.083 176.117 -0.068 0.000 1.203 135 I CA 0.526 61.669 61.300 -0.261 0.000 1.433 135 I CB 0.121 37.902 38.000 -0.365 0.000 1.354 135 I HN -0.057 nan 8.210 nan 0.000 0.579 136 D N 5.798 126.236 120.400 0.063 0.000 2.446 136 D HA 0.164 4.804 4.640 0.001 0.000 0.251 136 D C 0.933 177.246 176.300 0.020 0.000 1.137 136 D CA -0.356 53.668 54.000 0.039 0.000 0.890 136 D CB 0.568 41.415 40.800 0.078 0.000 1.071 136 D HN 0.381 nan 8.370 nan 0.000 0.528 137 H N 1.911 121.023 119.070 0.071 0.000 2.489 137 H HA -0.078 4.478 4.556 0.001 0.000 0.293 137 H C 0.548 175.926 175.328 0.083 0.000 1.066 137 H CA 0.890 56.954 56.048 0.025 0.000 1.305 137 H CB 0.403 30.108 29.762 -0.095 0.000 1.386 137 H HN 0.473 nan 8.280 nan 0.000 0.551 138 D N 0.442 120.969 120.400 0.211 0.000 2.263 138 D HA -0.096 4.544 4.640 0.001 0.000 0.208 138 D C 2.063 178.442 176.300 0.132 0.000 0.971 138 D CA 0.455 54.574 54.000 0.198 0.000 0.867 138 D CB -0.108 40.786 40.800 0.157 0.000 0.929 138 D HN 0.354 nan 8.370 nan 0.000 0.492 139 R N 0.585 121.132 120.500 0.078 0.000 2.241 139 R HA -0.092 4.248 4.340 0.001 0.000 0.224 139 R C 0.943 177.238 176.300 -0.008 0.000 1.101 139 R CA 0.733 56.814 56.100 -0.032 0.000 0.995 139 R CB -0.155 30.064 30.300 -0.136 0.000 0.870 139 R HN 0.232 nan 8.270 nan 0.000 0.463 140 D N 0.802 121.327 120.400 0.209 0.000 2.221 140 D HA -0.139 4.501 4.640 0.001 0.000 0.204 140 D C 1.316 177.851 176.300 0.390 0.000 0.982 140 D CA 1.127 55.392 54.000 0.441 0.000 0.857 140 D CB -0.005 41.052 40.800 0.428 0.000 0.934 140 D HN 0.068 nan 8.370 nan 0.000 0.475 141 M N -0.053 119.688 119.600 0.235 0.000 2.686 141 M HA -0.026 4.454 4.480 0.001 0.000 0.246 141 M C 1.392 177.754 176.300 0.104 0.000 1.096 141 M CA 0.747 56.145 55.300 0.164 0.000 1.076 141 M CB -0.361 32.280 32.600 0.069 0.000 1.504 141 M HN -0.002 nan 8.290 nan 0.000 0.524 142 T N -3.975 110.621 114.554 0.071 0.000 3.010 142 T HA 0.258 4.608 4.350 0.001 0.000 0.257 142 T C 0.308 175.139 174.700 0.219 0.000 1.020 142 T CA -0.404 61.725 62.100 0.048 0.000 0.938 142 T CB -0.270 68.596 68.868 -0.004 0.000 1.049 142 T HN -0.017 nan 8.240 nan 0.000 0.522 143 F N 4.216 124.400 119.950 0.391 0.000 2.529 143 F HA 0.426 4.953 4.527 0.000 0.000 0.365 143 F C 1.427 177.395 175.800 0.280 0.000 1.102 143 F CA -0.879 57.294 58.000 0.288 0.000 1.271 143 F CB 0.448 39.578 39.000 0.216 0.000 1.120 143 F HN 0.168 nan 8.300 nan 0.000 0.579 144 S N 3.104 118.958 115.700 0.258 0.000 2.624 144 S HA 0.078 4.549 4.470 0.001 0.000 0.263 144 S C 0.848 175.461 174.600 0.021 0.000 1.287 144 S CA -0.584 57.519 58.200 -0.162 0.000 0.990 144 S CB 0.409 63.400 63.200 -0.347 0.000 0.950 144 S HN 0.663 nan 8.310 nan 0.000 0.561 145 Y N 1.583 121.801 120.300 -0.136 0.000 2.181 145 Y HA -0.039 4.512 4.550 0.001 0.000 0.288 145 Y C 2.508 178.377 175.900 -0.051 0.000 1.146 145 Y CA 1.833 59.903 58.100 -0.051 0.000 1.164 145 Y CB -1.111 37.319 38.460 -0.051 0.000 0.982 145 Y HN 0.818 nan 8.280 nan 0.000 0.515 146 A N 0.530 123.264 122.820 -0.143 0.000 1.933 146 A HA -0.118 4.202 4.320 0.001 0.000 0.218 146 A C 2.443 179.897 177.584 -0.216 0.000 1.175 146 A CA 1.843 53.754 52.037 -0.210 0.000 0.628 146 A CB -1.474 17.469 19.000 -0.095 0.000 0.814 146 A HN 0.619 nan 8.150 nan 0.000 0.444 147 A N -0.375 122.358 122.820 -0.145 0.000 1.851 147 A HA -0.063 4.257 4.320 0.001 0.000 0.216 147 A C 2.228 179.654 177.584 -0.263 0.000 1.195 147 A CA 1.972 53.926 52.037 -0.138 0.000 0.622 147 A CB -1.162 17.873 19.000 0.058 0.000 0.831 147 A HN 0.459 nan 8.150 nan 0.000 0.444 148 V N 0.017 119.792 119.914 -0.231 0.000 2.332 148 V HA -0.290 3.830 4.120 0.001 0.000 0.248 148 V C 2.546 178.468 176.094 -0.287 0.000 1.055 148 V CA 2.545 64.681 62.300 -0.274 0.000 1.038 148 V CB -0.717 31.040 31.823 -0.110 0.000 0.651 148 V HN 0.532 nan 8.190 nan 0.000 0.450 149 K N -0.347 119.840 120.400 -0.355 0.000 2.152 149 K HA -0.163 4.157 4.320 0.001 0.000 0.206 149 K C 2.298 178.759 176.600 -0.232 0.000 1.048 149 K CA 1.227 57.321 56.287 -0.322 0.000 0.933 149 K CB -0.232 32.003 32.500 -0.441 0.000 0.721 149 K HN 0.442 nan 8.250 nan 0.000 0.447 150 Q N -0.056 119.588 119.800 -0.260 0.000 2.083 150 Q HA -0.065 4.275 4.340 0.001 0.000 0.198 150 Q C 2.192 178.005 176.000 -0.311 0.000 0.969 150 Q CA 1.164 56.805 55.803 -0.269 0.000 0.838 150 Q CB -0.175 28.366 28.738 -0.329 0.000 0.900 150 Q HN 0.335 nan 8.270 nan 0.000 0.436 151 L N 0.821 121.819 121.223 -0.374 0.000 2.012 151 L HA -0.209 4.131 4.340 0.001 0.000 0.210 151 L C 2.572 179.384 176.870 -0.097 0.000 1.073 151 L CA 1.559 56.239 54.840 -0.266 0.000 0.748 151 L CB -0.545 41.297 42.059 -0.361 0.000 0.891 151 L HN 0.297 nan 8.230 nan 0.000 0.431 152 E N 0.291 120.415 120.200 -0.127 0.000 2.106 152 E HA -0.172 4.179 4.350 0.001 0.000 0.192 152 E C 2.149 178.726 176.600 -0.039 0.000 0.984 152 E CA 1.224 57.579 56.400 -0.076 0.000 0.806 152 E CB -0.076 29.575 29.700 -0.081 0.000 0.750 152 E HN 0.463 nan 8.360 nan 0.000 0.458 153 G N 0.604 109.375 108.800 -0.048 0.000 2.408 153 G HA2 -0.132 3.828 3.960 0.001 0.000 0.213 153 G HA3 -0.132 3.828 3.960 0.001 0.000 0.213 153 G C 1.567 176.491 174.900 0.039 0.000 1.177 153 G CA 0.376 45.467 45.100 -0.014 0.000 0.802 153 G HN 0.069 nan 8.290 nan 0.000 0.533 154 K N -1.276 119.173 120.400 0.082 0.000 2.399 154 K HA 0.249 4.569 4.320 0.001 0.000 0.196 154 K C 1.490 178.300 176.600 0.351 0.000 1.103 154 K CA 0.029 56.439 56.287 0.204 0.000 0.986 154 K CB 0.460 33.110 32.500 0.251 0.000 0.952 154 K HN 0.306 nan 8.250 nan 0.000 0.541 155 Y N 1.166 121.464 120.300 -0.003 0.000 2.472 155 Y HA 0.261 4.811 4.550 0.001 0.000 0.288 155 Y C 1.081 176.995 175.900 0.023 0.000 1.154 155 Y CA -0.497 57.607 58.100 0.007 0.000 1.238 155 Y CB -0.005 38.434 38.460 -0.035 0.000 1.287 155 Y HN -0.212 nan 8.280 nan 0.000 0.524 156 L N 0.957 122.281 121.223 0.167 0.000 2.416 156 L HA 0.147 4.487 4.340 0.001 0.000 0.272 156 L C -0.099 176.850 176.870 0.132 0.000 1.161 156 L CA -0.494 54.418 54.840 0.120 0.000 0.845 156 L CB 0.518 42.606 42.059 0.050 0.000 1.119 156 L HN -0.252 nan 8.230 nan 0.000 0.464 157 V N 4.099 124.130 119.914 0.196 0.000 2.485 157 V HA 0.073 4.194 4.120 0.001 0.000 0.287 157 V C 0.396 176.635 176.094 0.241 0.000 1.022 157 V CA 0.149 62.593 62.300 0.238 0.000 1.067 157 V CB 0.526 32.534 31.823 0.309 0.000 0.967 157 V HN 0.913 nan 8.190 nan 0.000 0.479 158 Q N 4.380 124.289 119.800 0.183 0.000 2.626 158 Q HA 0.383 4.723 4.340 0.001 0.000 0.300 158 Q C -1.143 174.913 176.000 0.093 0.000 0.988 158 Q CA -1.008 54.771 55.803 -0.041 0.000 0.761 158 Q CB 1.916 30.599 28.738 -0.092 0.000 1.494 158 Q HN 0.522 nan 8.270 nan 0.000 0.439 159 N N 0.683 119.352 118.700 -0.051 0.000 2.419 159 N HA 0.109 4.849 4.740 0.001 0.000 0.264 159 N C 0.734 176.259 175.510 0.026 0.000 1.031 159 N CA -0.050 53.044 53.050 0.073 0.000 0.951 159 N CB 0.900 39.425 38.487 0.064 0.000 1.101 159 N HN 0.535 nan 8.380 nan 0.000 0.488 160 R N 2.392 122.921 120.500 0.048 0.000 2.143 160 R HA -0.153 4.188 4.340 0.001 0.000 0.239 160 R C 1.601 177.912 176.300 0.018 0.000 1.126 160 R CA 1.493 57.611 56.100 0.030 0.000 0.927 160 R CB -0.949 29.370 30.300 0.033 0.000 0.860 160 R HN 0.458 nan 8.270 nan 0.000 0.433 161 V N 0.401 120.328 119.914 0.021 0.000 2.273 161 V HA -0.166 3.954 4.120 0.001 0.000 0.242 161 V C 2.564 178.662 176.094 0.006 0.000 1.035 161 V CA 2.220 64.528 62.300 0.014 0.000 1.013 161 V CB -1.000 30.834 31.823 0.018 0.000 0.652 161 V HN 0.550 nan 8.190 nan 0.000 0.452 162 T N -1.586 112.971 114.554 0.005 0.000 2.962 162 T HA 0.067 4.417 4.350 0.001 0.000 0.270 162 T C 1.624 176.303 174.700 -0.034 0.000 1.088 162 T CA 1.118 63.212 62.100 -0.009 0.000 1.127 162 T CB -0.232 68.633 68.868 -0.004 0.000 0.883 162 T HN 1.145 nan 8.240 nan 0.000 0.493 163 G N 1.154 109.926 108.800 -0.048 0.000 2.179 163 G HA2 -0.280 3.680 3.960 0.001 0.000 0.257 163 G HA3 -0.280 3.680 3.960 0.001 0.000 0.257 163 G C -0.220 174.597 174.900 -0.138 0.000 1.010 163 G CA 0.325 45.383 45.100 -0.069 0.000 0.736 163 G HN 0.792 nan 8.290 nan 0.000 0.513 164 E N -0.244 119.827 120.200 -0.216 0.000 2.259 164 E HA 0.469 4.820 4.350 0.001 0.000 0.281 164 E C 0.271 176.486 176.600 -0.642 0.000 1.037 164 E CA -0.675 55.509 56.400 -0.361 0.000 0.854 164 E CB 0.372 29.870 29.700 -0.335 0.000 1.051 164 E HN 0.347 nan 8.360 nan 0.000 0.409 165 I N 4.582 124.848 120.570 -0.507 0.000 2.396 165 I HA 0.030 4.201 4.170 0.001 0.000 0.292 165 I C -0.169 175.645 176.117 -0.504 0.000 0.999 165 I CA -0.172 60.846 61.300 -0.470 0.000 1.310 165 I CB 0.710 38.547 38.000 -0.272 0.000 1.404 165 I HN 0.642 nan 8.210 nan 0.000 0.496 166 Y N 3.200 123.457 120.300 -0.072 0.000 2.445 166 Y HA 0.233 4.783 4.550 0.001 0.000 0.247 166 Y C 0.526 176.486 175.900 0.101 0.000 1.129 166 Y CA -0.515 57.565 58.100 -0.033 0.000 1.251 166 Y CB 0.164 38.597 38.460 -0.045 0.000 1.176 166 Y HN 0.545 nan 8.280 nan 0.000 0.522 167 E N -0.613 119.692 120.200 0.174 0.000 2.449 167 E HA 0.654 5.005 4.350 0.001 0.000 0.278 167 E C -1.027 175.618 176.600 0.075 0.000 0.992 167 E CA -1.085 55.499 56.400 0.307 0.000 0.807 167 E CB 1.887 31.905 29.700 0.529 0.000 1.350 167 E HN -0.064 nan 8.360 nan 0.000 0.462 168 S N -0.219 115.572 115.700 0.152 0.000 2.664 168 S HA 0.654 5.124 4.470 0.001 0.000 0.304 168 S C 1.041 175.678 174.600 0.063 0.000 1.099 168 S CA -0.354 57.862 58.200 0.026 0.000 1.003 168 S CB 1.473 64.661 63.200 -0.020 0.000 1.092 168 S HN 0.828 nan 8.310 nan 0.000 0.525 169 A N 0.943 123.784 122.820 0.034 0.000 1.927 169 A HA -0.172 4.148 4.320 0.001 0.000 0.220 169 A C 2.125 179.744 177.584 0.057 0.000 1.185 169 A CA 1.680 53.710 52.037 -0.012 0.000 0.639 169 A CB -0.977 18.072 19.000 0.082 0.000 0.820 169 A HN 0.770 nan 8.150 nan 0.000 0.451 170 Q N -1.376 118.561 119.800 0.227 0.000 2.230 170 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 170 Q C 1.737 177.983 176.000 0.410 0.000 0.963 170 Q CA 0.843 56.873 55.803 0.380 0.000 0.866 170 Q CB -0.500 28.368 28.738 0.216 0.000 0.931 170 Q HN 0.706 nan 8.270 nan 0.000 0.452 171 F N 0.751 120.837 119.950 0.227 0.000 2.206 171 F HA -0.063 4.464 4.527 0.001 0.000 0.298 171 F C 2.210 178.121 175.800 0.184 0.000 1.090 171 F CA 0.056 58.168 58.000 0.186 0.000 1.323 171 F CB -1.069 38.027 39.000 0.159 0.000 1.028 171 F HN 0.064 nan 8.300 nan 0.000 0.492 172 L N -1.198 120.225 121.223 0.335 0.000 2.017 172 L HA -0.287 4.053 4.340 0.001 0.000 0.208 172 L C 2.450 179.461 176.870 0.235 0.000 1.073 172 L CA 1.661 56.610 54.840 0.182 0.000 0.745 172 L CB -0.612 41.456 42.059 0.015 0.000 0.894 172 L HN -0.012 nan 8.230 nan 0.000 0.432 173 Y N -0.343 120.149 120.300 0.321 0.000 2.114 173 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 173 Y C 2.408 178.552 175.900 0.407 0.000 1.143 173 Y CA 1.553 59.855 58.100 0.338 0.000 1.135 173 Y CB -0.734 37.925 38.460 0.332 0.000 0.980 173 Y HN 0.207 nan 8.280 nan 0.000 0.499 174 I N -0.335 120.590 120.570 0.591 0.000 2.361 174 I HA -0.252 3.918 4.170 0.001 0.000 0.251 174 I C 1.926 178.162 176.117 0.199 0.000 1.133 174 I CA 1.452 62.943 61.300 0.318 0.000 1.413 174 I CB -0.442 37.587 38.000 0.048 0.000 1.073 174 I HN 0.133 nan 8.210 nan 0.000 0.424 175 L N -1.552 119.768 121.223 0.161 0.000 2.270 175 L HA -0.064 4.276 4.340 0.001 0.000 0.210 175 L C 2.389 179.274 176.870 0.026 0.000 1.104 175 L CA 0.258 55.109 54.840 0.018 0.000 0.804 175 L CB -0.487 41.491 42.059 -0.135 0.000 0.937 175 L HN 0.014 nan 8.230 nan 0.000 0.450 176 V N 0.351 120.333 119.914 0.113 0.000 2.343 176 V HA -0.298 3.822 4.120 0.001 0.000 0.247 176 V C 2.768 178.921 176.094 0.097 0.000 1.051 176 V CA 1.887 64.239 62.300 0.088 0.000 1.036 176 V CB -0.785 31.154 31.823 0.194 0.000 0.654 176 V HN 0.476 nan 8.190 nan 0.000 0.451 177 A N 0.063 123.046 122.820 0.271 0.000 1.858 177 A HA -0.119 4.201 4.320 0.001 0.000 0.216 177 A C 2.441 180.147 177.584 0.204 0.000 1.190 177 A CA 2.119 54.354 52.037 0.330 0.000 0.617 177 A CB -0.918 18.367 19.000 0.475 0.000 0.827 177 A HN 0.569 nan 8.150 nan 0.000 0.443 178 A N -1.137 121.745 122.820 0.104 0.000 1.933 178 A HA -0.169 4.151 4.320 0.001 0.000 0.218 178 A C 2.300 179.990 177.584 0.176 0.000 1.175 178 A CA 1.754 53.807 52.037 0.028 0.000 0.628 178 A CB -1.211 17.591 19.000 -0.329 0.000 0.814 178 A HN 0.609 nan 8.150 nan 0.000 0.444 179 C N -0.907 118.427 119.300 0.055 0.000 2.476 179 C HA 0.017 4.477 4.460 0.001 0.000 0.278 179 C C 2.626 177.486 174.990 -0.216 0.000 1.274 179 C CA 0.911 59.939 59.018 0.017 0.000 1.713 179 C CB -1.393 26.272 27.740 -0.125 0.000 2.039 179 C HN 0.629 nan 8.230 nan 0.000 0.484 180 L N -0.811 120.191 121.223 -0.368 0.000 2.093 180 L HA -0.069 4.271 4.340 0.001 0.000 0.208 180 L C 1.460 177.949 176.870 -0.635 0.000 1.085 180 L CA 1.562 56.019 54.840 -0.639 0.000 0.755 180 L CB -0.483 41.062 42.059 -0.856 0.000 0.904 180 L HN 0.292 nan 8.230 nan 0.000 0.435 181 F N -0.756 119.044 119.950 -0.251 0.000 2.660 181 F HA 0.055 4.582 4.527 0.000 0.000 0.297 181 F C 2.277 178.092 175.800 0.024 0.000 1.132 181 F CA 0.126 57.971 58.000 -0.257 0.000 1.372 181 F CB -0.193 38.571 39.000 -0.392 0.000 1.003 181 F HN 0.026 nan 8.300 nan 0.000 0.524 182 S N -0.158 115.658 115.700 0.192 0.000 2.383 182 S HA -0.198 4.272 4.470 0.001 0.000 0.227 182 S C 1.449 176.095 174.600 0.077 0.000 1.026 182 S CA 1.375 59.680 58.200 0.176 0.000 0.981 182 S CB -0.595 62.755 63.200 0.249 0.000 0.818 182 S HN 0.536 nan 8.310 nan 0.000 0.472 183 N N -0.231 118.543 118.700 0.125 0.000 2.461 183 N HA 0.120 4.860 4.740 0.001 0.000 0.188 183 N C -0.762 174.815 175.510 0.112 0.000 1.134 183 N CA -0.112 52.987 53.050 0.081 0.000 0.878 183 N CB -0.010 38.501 38.487 0.040 0.000 0.972 183 N HN 0.365 nan 8.380 nan 0.000 0.456 184 Y N 2.044 122.349 120.300 0.008 0.000 2.397 184 Y HA 0.114 4.664 4.550 0.001 0.000 0.335 184 Y C -1.651 174.263 175.900 0.022 0.000 1.213 184 Y CA -2.418 55.700 58.100 0.030 0.000 1.391 184 Y CB 0.127 38.645 38.460 0.098 0.000 1.293 184 Y HN 0.056 nan 8.280 nan 0.000 0.557 185 P HA 0.036 nan 4.420 nan 0.000 0.268 185 P C 0.242 177.592 177.300 0.084 0.000 1.208 185 P CA 0.005 63.129 63.100 0.039 0.000 0.777 185 P CB 0.733 32.438 31.700 0.009 0.000 0.875 186 R N 1.130 121.654 120.500 0.041 0.000 2.241 186 R HA -0.123 4.218 4.340 0.001 0.000 0.224 186 R C 1.943 178.276 176.300 0.056 0.000 1.101 186 R CA 1.084 57.210 56.100 0.043 0.000 0.995 186 R CB -0.005 30.302 30.300 0.012 0.000 0.870 186 R HN 0.587 nan 8.270 nan 0.000 0.463 187 E N -0.429 119.803 120.200 0.053 0.000 2.150 187 E HA -0.144 4.206 4.350 0.001 0.000 0.193 187 E C 1.469 178.106 176.600 0.062 0.000 0.985 187 E CA 1.799 58.226 56.400 0.046 0.000 0.814 187 E CB -0.158 29.561 29.700 0.031 0.000 0.752 187 E HN 0.412 nan 8.360 nan 0.000 0.466 188 T N -2.612 112.017 114.554 0.126 0.000 2.975 188 T HA 0.231 4.582 4.350 0.001 0.000 0.261 188 T C 1.764 176.606 174.700 0.237 0.000 0.984 188 T CA 0.002 62.195 62.100 0.155 0.000 0.911 188 T CB 0.442 69.485 68.868 0.290 0.000 1.127 188 T HN 0.021 nan 8.240 nan 0.000 0.514 189 R N 1.385 122.043 120.500 0.263 0.000 2.113 189 R HA 0.055 4.396 4.340 0.001 0.000 0.231 189 R C 2.189 178.589 176.300 0.167 0.000 1.129 189 R CA 1.773 58.031 56.100 0.264 0.000 0.915 189 R CB -0.786 29.650 30.300 0.226 0.000 0.837 189 R HN 0.346 nan 8.270 nan 0.000 0.430 190 L N 0.563 121.889 121.223 0.170 0.000 2.187 190 L HA -0.229 4.112 4.340 0.001 0.000 0.213 190 L C 2.793 179.695 176.870 0.054 0.000 1.100 190 L CA 1.515 56.476 54.840 0.202 0.000 0.765 190 L CB -0.530 41.688 42.059 0.266 0.000 0.904 190 L HN 0.563 nan 8.230 nan 0.000 0.437 191 Q N -0.835 118.936 119.800 -0.049 0.000 2.083 191 Q HA -0.207 4.134 4.340 0.001 0.000 0.198 191 Q C 2.248 178.036 176.000 -0.354 0.000 0.969 191 Q CA 1.479 57.147 55.803 -0.226 0.000 0.838 191 Q CB -0.046 28.556 28.738 -0.227 0.000 0.900 191 Q HN 0.377 nan 8.270 nan 0.000 0.436 192 Y N -0.073 120.015 120.300 -0.353 0.000 2.097 192 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 192 Y C 2.390 177.867 175.900 -0.704 0.000 1.152 192 Y CA 1.355 59.047 58.100 -0.680 0.000 1.136 192 Y CB -0.688 37.102 38.460 -1.117 0.000 0.975 192 Y HN -0.058 nan 8.280 nan 0.000 0.498 193 V N 0.481 120.205 119.914 -0.317 0.000 2.278 193 V HA -0.403 3.717 4.120 0.001 0.000 0.251 193 V C 2.388 178.449 176.094 -0.055 0.000 1.062 193 V CA 2.442 64.692 62.300 -0.082 0.000 1.038 193 V CB -0.700 31.179 31.823 0.093 0.000 0.646 193 V HN 0.384 nan 8.190 nan 0.000 0.447 194 K N -0.047 120.163 120.400 -0.316 0.000 2.002 194 K HA -0.183 4.137 4.320 0.001 0.000 0.209 194 K C 2.395 178.840 176.600 -0.259 0.000 1.048 194 K CA 1.552 57.482 56.287 -0.595 0.000 0.930 194 K CB -0.184 31.478 32.500 -1.396 0.000 0.714 194 K HN 0.352 nan 8.250 nan 0.000 0.438 195 R N -0.586 119.756 120.500 -0.262 0.000 2.120 195 R HA -0.125 4.215 4.340 0.001 0.000 0.234 195 R C 2.314 178.568 176.300 -0.077 0.000 1.123 195 R CA 1.382 57.373 56.100 -0.183 0.000 0.975 195 R CB -0.369 29.806 30.300 -0.209 0.000 0.866 195 R HN 0.259 nan 8.270 nan 0.000 0.446 196 F N 0.519 120.376 119.950 -0.155 0.000 2.163 196 F HA -0.206 4.322 4.527 0.001 0.000 0.297 196 F C 2.266 178.046 175.800 -0.033 0.000 1.094 196 F CA 1.026 58.999 58.000 -0.044 0.000 1.290 196 F CB -0.449 38.600 39.000 0.082 0.000 1.017 196 F HN -0.054 nan 8.300 nan 0.000 0.483 197 Y N 1.378 121.673 120.300 -0.007 0.000 2.081 197 Y HA -0.305 4.245 4.550 0.000 0.000 0.280 197 Y C 2.227 177.978 175.900 -0.249 0.000 1.163 197 Y CA 2.298 60.348 58.100 -0.085 0.000 1.135 197 Y CB -0.919 37.550 38.460 0.015 0.000 0.970 197 Y HN 0.049 nan 8.280 nan 0.000 0.498 198 D N 0.226 120.427 120.400 -0.333 0.000 2.123 198 D HA -0.213 4.427 4.640 0.001 0.000 0.196 198 D C 2.296 178.293 176.300 -0.506 0.000 0.992 198 D CA 1.672 55.409 54.000 -0.438 0.000 0.833 198 D CB -0.671 39.990 40.800 -0.233 0.000 0.954 198 D HN 0.523 nan 8.370 nan 0.000 0.455 199 A N 0.500 123.052 122.820 -0.447 0.000 1.898 199 A HA -0.124 4.196 4.320 0.001 0.000 0.216 199 A C 2.471 179.733 177.584 -0.537 0.000 1.181 199 A CA 2.080 53.862 52.037 -0.425 0.000 0.620 199 A CB -0.692 18.097 19.000 -0.351 0.000 0.819 199 A HN 0.233 nan 8.150 nan 0.000 0.442 200 V N -1.493 117.976 119.914 -0.742 0.000 2.407 200 V HA -0.111 4.009 4.120 0.001 0.000 0.245 200 V C 2.344 177.810 176.094 -1.046 0.000 1.041 200 V CA 2.081 63.925 62.300 -0.760 0.000 1.040 200 V CB -1.278 30.115 31.823 -0.716 0.000 0.671 200 V HN 0.608 nan 8.190 nan 0.000 0.455 201 S N 1.687 116.610 115.700 -1.294 0.000 2.481 201 S HA -0.097 4.373 4.470 0.001 0.000 0.231 201 S C 1.651 175.537 174.600 -1.190 0.000 0.996 201 S CA 1.146 58.554 58.200 -1.319 0.000 0.942 201 S CB -0.888 61.625 63.200 -1.145 0.000 0.768 201 S HN 0.886 nan 8.310 nan 0.000 0.520 202 T N -2.064 111.910 114.554 -0.966 0.000 3.214 202 T HA 0.408 4.758 4.350 0.001 0.000 0.264 202 T C 0.083 174.421 174.700 -0.604 0.000 1.012 202 T CA -0.715 60.872 62.100 -0.856 0.000 0.901 202 T CB -1.037 67.543 68.868 -0.480 0.000 1.070 202 T HN 0.221 nan 8.240 nan 0.000 0.561 203 F N 0.025 119.834 119.950 -0.235 0.000 3.057 203 F HA -0.197 4.330 4.527 0.001 0.000 0.287 203 F C 1.138 176.893 175.800 -0.074 0.000 0.834 203 F CA 0.160 58.090 58.000 -0.116 0.000 1.147 203 F CB -2.567 36.400 39.000 -0.055 0.000 1.245 203 F HN 0.312 nan 8.300 nan 0.000 0.509 204 K N -0.029 120.359 120.400 -0.021 0.000 2.128 204 K HA 0.315 4.636 4.320 0.001 0.000 0.202 204 K C 0.770 177.406 176.600 0.061 0.000 1.050 204 K CA 0.998 57.289 56.287 0.007 0.000 0.966 204 K CB 0.459 32.914 32.500 -0.074 0.000 0.759 204 K HN 0.292 nan 8.250 nan 0.000 0.454 205 I N 0.316 120.870 120.570 -0.026 0.000 2.433 205 I HA 0.172 4.342 4.170 0.001 0.000 0.292 205 I C -0.614 175.500 176.117 -0.005 0.000 1.001 205 I CA -0.613 60.682 61.300 -0.008 0.000 1.119 205 I CB 2.117 40.066 38.000 -0.085 0.000 1.289 205 I HN -0.114 nan 8.210 nan 0.000 0.438 206 S N 5.985 121.708 115.700 0.039 0.000 2.472 206 S HA 0.789 5.260 4.470 0.001 0.000 0.303 206 S C -0.678 173.979 174.600 0.095 0.000 1.099 206 S CA -0.479 57.783 58.200 0.103 0.000 1.077 206 S CB 1.090 64.359 63.200 0.113 0.000 1.031 206 S HN 0.308 nan 8.310 nan 0.000 0.487 207 L N 4.796 126.112 121.223 0.155 0.000 2.354 207 L HA 0.613 4.953 4.340 0.001 0.000 0.269 207 L C -2.160 174.789 176.870 0.131 0.000 1.005 207 L CA -2.039 52.876 54.840 0.124 0.000 0.819 207 L CB 1.397 43.532 42.059 0.127 0.000 1.311 207 L HN 0.423 nan 8.230 nan 0.000 0.423 208 P HA 0.079 nan 4.420 nan 0.000 0.270 208 P C 0.347 177.690 177.300 0.073 0.000 1.223 208 P CA -0.215 62.943 63.100 0.096 0.000 0.785 208 P CB 0.569 32.312 31.700 0.071 0.000 0.923 209 T N 2.261 116.880 114.554 0.109 0.000 2.665 209 T HA -0.103 4.247 4.350 0.001 0.000 0.268 209 T C -0.867 173.833 174.700 0.001 0.000 1.035 209 T CA 2.400 64.544 62.100 0.074 0.000 1.151 209 T CB -1.802 67.174 68.868 0.180 0.000 0.862 209 T HN 0.514 nan 8.240 nan 0.000 0.438 210 P HA 0.013 nan 4.420 nan 0.000 0.216 210 P C 1.424 178.849 177.300 0.209 0.000 1.150 210 P CA 0.902 64.084 63.100 0.137 0.000 0.837 210 P CB -0.176 31.623 31.700 0.166 0.000 0.786 211 I N -1.689 118.948 120.570 0.112 0.000 2.133 211 I HA -0.217 3.953 4.170 0.001 0.000 0.238 211 I C 2.325 178.404 176.117 -0.064 0.000 1.074 211 I CA 1.387 62.683 61.300 -0.008 0.000 1.342 211 I CB -0.667 37.286 38.000 -0.078 0.000 1.053 211 I HN -0.111 nan 8.210 nan 0.000 0.404 212 M N 0.509 120.011 119.600 -0.163 0.000 2.337 212 M HA -0.164 4.317 4.480 0.001 0.000 0.261 212 M C 2.378 178.465 176.300 -0.354 0.000 1.067 212 M CA 1.873 56.968 55.300 -0.342 0.000 1.074 212 M CB -1.204 30.889 32.600 -0.845 0.000 1.395 212 M HN 0.444 nan 8.290 nan 0.000 0.431 213 S N -1.839 113.724 115.700 -0.228 0.000 2.497 213 S HA 0.173 4.643 4.470 0.001 0.000 0.218 213 S C 1.759 176.408 174.600 0.082 0.000 1.023 213 S CA 0.462 58.614 58.200 -0.079 0.000 0.913 213 S CB 0.067 63.244 63.200 -0.038 0.000 0.800 213 S HN 0.429 nan 8.310 nan 0.000 0.505 214 G N 0.885 109.796 108.800 0.184 0.000 2.747 214 G HA2 0.300 4.260 3.960 0.001 0.000 0.202 214 G HA3 0.300 4.260 3.960 0.001 0.000 0.202 214 G C 0.100 175.283 174.900 0.472 0.000 1.090 214 G CA 0.030 45.354 45.100 0.374 0.000 0.779 214 G HN 0.352 nan 8.290 nan 0.000 0.535 215 V N 2.830 122.887 119.914 0.238 0.000 2.409 215 V HA 0.320 4.440 4.120 0.001 0.000 0.270 215 V C 1.155 177.273 176.094 0.040 0.000 1.019 215 V CA 1.322 63.616 62.300 -0.009 0.000 1.066 215 V CB -0.102 31.502 31.823 -0.366 0.000 1.021 215 V HN 0.764 nan 8.190 nan 0.000 0.476 216 R N 2.728 123.303 120.500 0.124 0.000 1.716 216 R HA -0.106 4.234 4.340 0.001 0.000 0.340 216 R C 0.332 176.668 176.300 0.059 0.000 0.188 216 R CA 0.693 56.781 56.100 -0.021 0.000 1.445 216 R CB -1.275 28.898 30.300 -0.211 0.000 1.765 216 R HN 0.681 nan 8.270 nan 0.000 0.182 217 T N -1.190 113.486 114.554 0.203 0.000 2.912 217 T HA 0.583 4.934 4.350 0.001 0.000 0.280 217 T C -2.012 172.810 174.700 0.203 0.000 0.989 217 T CA -1.460 60.773 62.100 0.221 0.000 0.995 217 T CB 1.857 70.848 68.868 0.204 0.000 1.077 217 T HN -0.082 nan 8.240 nan 0.000 0.531 218 P HA 0.094 nan 4.420 nan 0.000 0.236 218 P C 0.539 177.878 177.300 0.066 0.000 1.172 218 P CA 0.504 63.666 63.100 0.104 0.000 0.759 218 P CB -0.170 31.565 31.700 0.058 0.000 0.843 219 T N -0.181 114.407 114.554 0.056 0.000 2.874 219 T HA 0.285 4.635 4.350 0.001 0.000 0.281 219 T C 0.917 175.542 174.700 -0.126 0.000 0.994 219 T CA -0.494 61.562 62.100 -0.073 0.000 1.015 219 T CB 0.448 69.224 68.868 -0.154 0.000 1.028 219 T HN -0.164 nan 8.240 nan 0.000 0.523 220 R N 1.762 122.072 120.500 -0.315 0.000 2.590 220 R HA 0.194 4.534 4.340 0.001 0.000 0.410 220 R C -0.345 175.551 176.300 -0.674 0.000 1.010 220 R CA -0.104 55.784 56.100 -0.353 0.000 1.155 220 R CB 0.498 30.697 30.300 -0.168 0.000 1.455 220 R HN 0.650 nan 8.270 nan 0.000 0.567 221 Q N 0.247 119.523 119.800 -0.874 0.000 2.349 221 Q HA 0.313 4.654 4.340 0.001 0.000 0.254 221 Q C -0.300 175.201 176.000 -0.831 0.000 0.980 221 Q CA 0.015 55.451 55.803 -0.611 0.000 0.924 221 Q CB 0.645 29.176 28.738 -0.345 0.000 1.209 221 Q HN 0.042 nan 8.270 nan 0.000 0.445 222 F N -1.177 118.765 119.950 -0.012 0.000 2.925 222 F HA 0.157 4.684 4.527 0.000 0.000 0.359 222 F C 0.625 176.426 175.800 0.002 0.000 1.038 222 F CA -0.423 57.580 58.000 0.004 0.000 1.130 222 F CB 0.851 39.860 39.000 0.014 0.000 1.093 222 F HN 0.221 nan 8.300 nan 0.000 0.561 223 S N 1.073 116.850 115.700 0.128 0.000 2.498 223 S HA 0.140 4.610 4.470 0.001 0.000 0.281 223 S C 1.213 175.855 174.600 0.071 0.000 1.265 223 S CA 0.361 58.613 58.200 0.086 0.000 1.071 223 S CB 0.568 63.815 63.200 0.078 0.000 0.894 223 S HN 0.366 nan 8.310 nan 0.000 0.491 224 S N 1.296 117.026 115.700 0.049 0.000 2.539 224 S HA 0.226 4.696 4.470 0.001 0.000 0.221 224 S C 0.367 174.971 174.600 0.007 0.000 0.987 224 S CA -0.233 57.992 58.200 0.042 0.000 0.929 224 S CB -0.456 62.779 63.200 0.058 0.000 0.832 224 S HN 0.899 nan 8.310 nan 0.000 0.492 225 C N 0.416 119.693 119.300 -0.039 0.000 3.046 225 C HA 0.819 5.279 4.460 0.001 0.000 0.388 225 C C -0.719 174.179 174.990 -0.154 0.000 1.041 225 C CA -0.518 58.456 59.018 -0.073 0.000 1.241 225 C CB 0.856 28.577 27.740 -0.031 0.000 1.638 225 C HN 0.677 nan 8.230 nan 0.000 0.539 226 V N 2.165 121.948 119.914 -0.219 0.000 2.864 226 V HA 0.925 5.045 4.120 0.001 0.000 0.314 226 V C -1.120 174.873 176.094 -0.167 0.000 1.073 226 V CA -0.760 61.364 62.300 -0.294 0.000 0.956 226 V CB 1.793 33.235 31.823 -0.635 0.000 1.023 226 V HN 0.905 nan 8.190 nan 0.000 0.435 227 L N 4.783 125.918 121.223 -0.146 0.000 2.342 227 L HA 0.628 4.968 4.340 0.001 0.000 0.276 227 L C -0.364 176.445 176.870 -0.102 0.000 0.997 227 L CA 0.014 54.787 54.840 -0.112 0.000 0.838 227 L CB 1.401 43.386 42.059 -0.123 0.000 1.224 227 L HN 0.603 nan 8.230 nan 0.000 0.416 228 I N 1.959 122.475 120.570 -0.091 0.000 2.406 228 I HA 0.428 4.598 4.170 0.001 0.000 0.290 228 I C -0.108 175.956 176.117 -0.088 0.000 0.999 228 I CA -0.631 60.622 61.300 -0.078 0.000 1.124 228 I CB 2.025 39.978 38.000 -0.078 0.000 1.289 228 I HN 0.576 nan 8.210 nan 0.000 0.441 229 E N 5.262 125.423 120.200 -0.065 0.000 2.151 229 E HA 0.276 4.626 4.350 0.001 0.000 0.275 229 E C -1.453 175.131 176.600 -0.027 0.000 0.936 229 E CA -0.550 55.822 56.400 -0.048 0.000 0.777 229 E CB 1.924 31.598 29.700 -0.043 0.000 1.108 229 E HN 0.715 nan 8.360 nan 0.000 0.401 230 C N 4.462 123.750 119.300 -0.021 0.000 2.347 230 C HA 0.705 5.165 4.460 0.001 0.000 0.353 230 C C 0.798 175.820 174.990 0.054 0.000 1.273 230 C CA -0.190 58.844 59.018 0.026 0.000 1.861 230 C CB -0.637 27.136 27.740 0.055 0.000 2.420 230 C HN 0.829 nan 8.230 nan 0.000 0.542 231 G N 3.270 112.103 108.800 0.056 0.000 2.528 231 G HA2 0.297 4.257 3.960 0.001 0.000 0.289 231 G HA3 0.297 4.257 3.960 0.001 0.000 0.289 231 G C -0.307 174.632 174.900 0.064 0.000 1.192 231 G CA -0.131 44.991 45.100 0.037 0.000 0.921 231 G HN 0.766 nan 8.290 nan 0.000 0.512 232 D N -0.247 120.158 120.400 0.008 0.000 2.801 232 D HA 0.313 4.953 4.640 0.001 0.000 0.232 232 D C 0.335 176.602 176.300 -0.055 0.000 1.128 232 D CA -0.014 53.968 54.000 -0.029 0.000 1.003 232 D CB -0.518 40.171 40.800 -0.186 0.000 1.110 232 D HN 0.435 nan 8.370 nan 0.000 0.477 233 S N -0.804 115.043 115.700 0.246 0.000 2.570 233 S HA 0.298 4.768 4.470 0.001 0.000 0.270 233 S C 0.941 175.722 174.600 0.302 0.000 1.149 233 S CA -0.886 57.551 58.200 0.395 0.000 0.837 233 S CB 0.857 64.150 63.200 0.155 0.000 1.124 233 S HN 0.069 nan 8.310 nan 0.000 0.465 234 L N 0.760 122.124 121.223 0.234 0.000 2.131 234 L HA -0.072 4.268 4.340 0.001 0.000 0.210 234 L C 1.829 178.723 176.870 0.041 0.000 1.092 234 L CA 1.349 56.184 54.840 -0.009 0.000 0.759 234 L CB -0.581 41.468 42.059 -0.015 0.000 0.903 234 L HN 0.699 nan 8.230 nan 0.000 0.435 235 D N -0.743 119.704 120.400 0.078 0.000 2.117 235 D HA -0.185 4.455 4.640 0.001 0.000 0.197 235 D C 2.388 178.734 176.300 0.077 0.000 0.987 235 D CA 1.525 55.567 54.000 0.070 0.000 0.829 235 D CB -0.012 40.827 40.800 0.066 0.000 0.961 235 D HN 0.105 nan 8.370 nan 0.000 0.460 236 S N -0.531 115.219 115.700 0.085 0.000 2.406 236 S HA -0.012 4.458 4.470 0.001 0.000 0.228 236 S C 2.082 176.755 174.600 0.122 0.000 1.020 236 S CA 0.229 58.483 58.200 0.090 0.000 0.965 236 S CB -0.095 63.156 63.200 0.084 0.000 0.798 236 S HN 0.137 nan 8.310 nan 0.000 0.488 237 I N 1.928 122.566 120.570 0.114 0.000 2.252 237 I HA -0.153 4.017 4.170 0.001 0.000 0.245 237 I C 2.133 178.397 176.117 0.245 0.000 1.102 237 I CA 0.910 62.322 61.300 0.186 0.000 1.385 237 I CB -0.358 37.587 38.000 -0.090 0.000 1.064 237 I HN 0.254 nan 8.210 nan 0.000 0.414 238 N N 0.958 119.751 118.700 0.154 0.000 2.223 238 N HA -0.128 4.613 4.740 0.001 0.000 0.185 238 N C 1.795 177.393 175.510 0.146 0.000 1.016 238 N CA 1.574 54.720 53.050 0.160 0.000 0.863 238 N CB -0.292 38.259 38.487 0.106 0.000 0.983 238 N HN 0.381 nan 8.380 nan 0.000 0.429 239 A N 0.106 122.999 122.820 0.122 0.000 1.874 239 A HA -0.026 4.294 4.320 0.001 0.000 0.214 239 A C 2.329 179.974 177.584 0.101 0.000 1.189 239 A CA 1.572 53.668 52.037 0.098 0.000 0.615 239 A CB -0.980 18.066 19.000 0.078 0.000 0.830 239 A HN 0.243 nan 8.150 nan 0.000 0.443 240 T N -0.126 114.494 114.554 0.111 0.000 2.635 240 T HA -0.202 4.149 4.350 0.001 0.000 0.267 240 T C 2.280 177.043 174.700 0.105 0.000 1.040 240 T CA 2.010 64.149 62.100 0.066 0.000 1.156 240 T CB -0.447 68.423 68.868 0.003 0.000 0.863 240 T HN 0.515 nan 8.240 nan 0.000 0.430 241 S N 0.514 116.352 115.700 0.230 0.000 2.348 241 S HA -0.139 4.331 4.470 0.001 0.000 0.221 241 S C 2.400 177.062 174.600 0.103 0.000 1.033 241 S CA 1.760 60.075 58.200 0.191 0.000 1.010 241 S CB -0.609 62.704 63.200 0.188 0.000 0.891 241 S HN 0.469 nan 8.310 nan 0.000 0.442 242 S N 1.495 117.258 115.700 0.106 0.000 2.374 242 S HA -0.110 4.361 4.470 0.001 0.000 0.227 242 S C 2.182 176.817 174.600 0.059 0.000 1.037 242 S CA 1.287 59.530 58.200 0.073 0.000 1.024 242 S CB -0.765 62.477 63.200 0.070 0.000 0.861 242 S HN 0.718 nan 8.310 nan 0.000 0.456 243 A N 1.195 124.061 122.820 0.077 0.000 1.898 243 A HA 0.002 4.322 4.320 0.001 0.000 0.216 243 A C 2.074 179.742 177.584 0.140 0.000 1.181 243 A CA 1.074 53.173 52.037 0.103 0.000 0.620 243 A CB -0.666 18.410 19.000 0.128 0.000 0.819 243 A HN 0.477 nan 8.150 nan 0.000 0.442 244 I N -0.411 120.220 120.570 0.102 0.000 2.163 244 I HA -0.252 3.918 4.170 0.001 0.000 0.243 244 I C 2.384 178.554 176.117 0.088 0.000 1.085 244 I CA 1.300 62.656 61.300 0.094 0.000 1.347 244 I CB -0.423 37.605 38.000 0.047 0.000 1.044 244 I HN 0.161 nan 8.210 nan 0.000 0.408 245 V N 0.785 120.732 119.914 0.055 0.000 2.255 245 V HA -0.311 3.810 4.120 0.001 0.000 0.247 245 V C 2.578 178.682 176.094 0.016 0.000 1.051 245 V CA 1.764 64.083 62.300 0.032 0.000 1.018 245 V CB -0.734 31.102 31.823 0.021 0.000 0.641 245 V HN 0.351 nan 8.190 nan 0.000 0.445 246 K N -0.784 119.608 120.400 -0.014 0.000 2.034 246 K HA -0.226 4.094 4.320 0.001 0.000 0.214 246 K C 2.088 178.614 176.600 -0.124 0.000 1.051 246 K CA 2.082 58.307 56.287 -0.102 0.000 0.931 246 K CB -0.654 31.737 32.500 -0.182 0.000 0.715 246 K HN 0.539 nan 8.250 nan 0.000 0.446 247 Y N 0.631 120.930 120.300 -0.002 0.000 2.314 247 Y HA -0.140 4.410 4.550 0.000 0.000 0.293 247 Y C 2.229 178.126 175.900 -0.006 0.000 1.129 247 Y CA 0.854 58.951 58.100 -0.005 0.000 1.201 247 Y CB -0.399 38.061 38.460 -0.000 0.000 0.999 247 Y HN -0.062 nan 8.280 nan 0.000 0.541 248 V N -2.187 117.812 119.914 0.142 0.000 2.970 248 V HA -0.129 3.992 4.120 0.001 0.000 0.260 248 V C 2.105 178.228 176.094 0.049 0.000 1.100 248 V CA 1.506 63.856 62.300 0.084 0.000 1.122 248 V CB -1.064 30.796 31.823 0.060 0.000 0.721 248 V HN 0.427 nan 8.190 nan 0.000 0.483 249 S N 0.779 116.494 115.700 0.026 0.000 2.442 249 S HA -0.193 4.278 4.470 0.001 0.000 0.236 249 S C 1.690 176.287 174.600 -0.005 0.000 1.007 249 S CA 1.475 59.675 58.200 -0.001 0.000 0.965 249 S CB -0.583 62.602 63.200 -0.025 0.000 0.773 249 S HN 0.789 nan 8.310 nan 0.000 0.504 250 Q N 0.021 119.826 119.800 0.008 0.000 2.189 250 Q HA 0.441 4.782 4.340 0.001 0.000 0.221 250 Q C -0.092 175.932 176.000 0.039 0.000 0.848 250 Q CA -0.337 55.469 55.803 0.005 0.000 1.007 250 Q CB 0.269 28.999 28.738 -0.014 0.000 1.116 250 Q HN 0.467 nan 8.270 nan 0.000 0.481 251 R N -0.959 119.571 120.500 0.049 0.000 3.936 251 R HA -0.181 4.159 4.340 0.001 0.000 0.366 251 R C -0.377 175.961 176.300 0.064 0.000 1.158 251 R CA 0.443 56.574 56.100 0.051 0.000 0.969 251 R CB -1.932 28.392 30.300 0.041 0.000 1.504 251 R HN 0.339 nan 8.270 nan 0.000 0.538 252 A N 0.657 123.530 122.820 0.088 0.000 2.425 252 A HA 0.577 4.898 4.320 0.001 0.000 0.249 252 A C 0.931 178.539 177.584 0.041 0.000 1.084 252 A CA 0.434 52.510 52.037 0.065 0.000 0.781 252 A CB 0.535 19.580 19.000 0.074 0.000 1.019 252 A HN 0.309 nan 8.150 nan 0.000 0.490 253 G N 0.741 109.553 108.800 0.020 0.000 2.415 253 G HA2 0.510 4.471 3.960 0.001 0.000 0.269 253 G HA3 0.510 4.471 3.960 0.001 0.000 0.269 253 G C -0.262 174.633 174.900 -0.008 0.000 1.209 253 G CA -0.416 44.694 45.100 0.017 0.000 0.835 253 G HN 0.558 nan 8.290 nan 0.000 0.534 254 I N 1.186 121.757 120.570 0.001 0.000 2.474 254 I HA 0.451 4.622 4.170 0.001 0.000 0.294 254 I C 0.572 176.698 176.117 0.015 0.000 1.005 254 I CA -0.702 60.588 61.300 -0.016 0.000 1.113 254 I CB 1.430 39.420 38.000 -0.016 0.000 1.289 254 I HN 0.532 nan 8.210 nan 0.000 0.436 255 G N 6.709 115.523 108.800 0.024 0.000 2.437 255 G HA2 0.702 4.663 3.960 0.001 0.000 0.315 255 G HA3 0.702 4.663 3.960 0.001 0.000 0.315 255 G C -0.695 174.255 174.900 0.082 0.000 1.210 255 G CA -0.322 44.862 45.100 0.141 0.000 0.943 255 G HN 0.477 nan 8.290 nan 0.000 0.471 256 I N 2.146 122.787 120.570 0.119 0.000 2.362 256 I HA 0.218 4.389 4.170 0.001 0.000 0.289 256 I C -0.385 175.824 176.117 0.153 0.000 0.994 256 I CA -1.020 60.270 61.300 -0.016 0.000 1.158 256 I CB 1.995 39.845 38.000 -0.250 0.000 1.315 256 I HN 0.320 nan 8.210 nan 0.000 0.451 257 N N 5.500 124.244 118.700 0.074 0.000 2.462 257 N HA 0.442 5.183 4.740 0.001 0.000 0.242 257 N C -0.019 175.560 175.510 0.115 0.000 1.010 257 N CA -0.265 52.877 53.050 0.153 0.000 0.939 257 N CB 1.514 40.039 38.487 0.063 0.000 1.127 257 N HN 0.739 nan 8.380 nan 0.000 0.509 258 A N 2.360 125.292 122.820 0.186 0.000 2.594 258 A HA 0.354 4.674 4.320 0.001 0.000 0.287 258 A C 1.528 179.302 177.584 0.317 0.000 1.227 258 A CA -0.013 52.164 52.037 0.232 0.000 0.952 258 A CB -0.271 18.871 19.000 0.237 0.000 1.161 258 A HN 0.645 nan 8.150 nan 0.000 0.524 259 G N 0.462 109.455 108.800 0.322 0.000 2.470 259 G HA2 -0.173 3.787 3.960 0.001 0.000 0.220 259 G HA3 -0.173 3.787 3.960 0.001 0.000 0.220 259 G C 1.467 176.454 174.900 0.145 0.000 1.121 259 G CA 0.664 45.970 45.100 0.343 0.000 0.766 259 G HN 0.567 nan 8.290 nan 0.000 0.553 260 R N -0.468 120.002 120.500 -0.050 0.000 2.276 260 R HA 0.284 4.625 4.340 0.001 0.000 0.196 260 R C 0.586 176.902 176.300 0.026 0.000 0.961 260 R CA -0.284 55.687 56.100 -0.214 0.000 1.024 260 R CB 0.117 30.212 30.300 -0.342 0.000 0.940 260 R HN 0.298 nan 8.270 nan 0.000 0.480 261 I N 3.725 124.407 120.570 0.187 0.000 2.668 261 I HA -0.073 4.097 4.170 0.001 0.000 0.285 261 I C 0.787 177.099 176.117 0.325 0.000 1.168 261 I CA 0.072 61.546 61.300 0.289 0.000 1.424 261 I CB 0.271 38.502 38.000 0.385 0.000 1.377 261 I HN 0.203 nan 8.210 nan 0.000 0.560 262 R N 5.887 126.528 120.500 0.236 0.000 2.774 262 R HA 0.577 4.917 4.340 0.001 0.000 0.269 262 R C -0.113 176.335 176.300 0.247 0.000 1.068 262 R CA -0.731 55.468 56.100 0.166 0.000 1.180 262 R CB 0.271 30.589 30.300 0.031 0.000 1.077 262 R HN 0.598 nan 8.270 nan 0.000 0.513 263 A N 1.905 124.804 122.820 0.131 0.000 2.304 263 A HA 0.269 4.589 4.320 0.001 0.000 0.271 263 A C -0.171 177.456 177.584 0.072 0.000 1.091 263 A CA -0.819 51.302 52.037 0.139 0.000 0.812 263 A CB 0.453 19.469 19.000 0.027 0.000 1.056 263 A HN 0.715 nan 8.150 nan 0.000 0.489 264 L N 1.878 123.123 121.223 0.036 0.000 2.700 264 L HA 0.340 4.681 4.340 0.001 0.000 0.276 264 L C 1.180 177.989 176.870 -0.101 0.000 1.200 264 L CA 2.279 57.098 54.840 -0.034 0.000 0.951 264 L CB -0.533 41.494 42.059 -0.054 0.000 1.226 264 L HN 1.585 nan 8.230 nan 0.000 0.489 265 G N 2.088 110.754 108.800 -0.223 0.000 2.231 265 G HA2 -0.219 3.741 3.960 0.001 0.000 0.206 265 G HA3 -0.219 3.741 3.960 0.001 0.000 0.206 265 G C 0.406 175.131 174.900 -0.291 0.000 0.996 265 G CA 0.035 44.940 45.100 -0.324 0.000 0.645 265 G HN 0.848 nan 8.290 nan 0.000 0.498 266 S N 2.808 118.417 115.700 -0.152 0.000 2.562 266 S HA 0.476 4.946 4.470 0.001 0.000 0.281 266 S C -1.264 173.352 174.600 0.026 0.000 1.333 266 S CA -0.414 57.758 58.200 -0.046 0.000 1.052 266 S CB 1.043 64.249 63.200 0.009 0.000 0.884 266 S HN 0.327 nan 8.310 nan 0.000 0.506 275 H N 2.133 121.397 119.070 0.324 0.000 2.337 275 H HA -0.238 4.318 4.556 0.000 0.000 0.288 275 H C 1.698 177.073 175.328 0.078 0.000 1.117 275 H CA 2.747 58.888 56.048 0.155 0.000 1.205 275 H CB -0.230 29.604 29.762 0.121 0.000 1.353 275 H HN 0.443 nan 8.280 nan 0.000 0.480 276 T N -1.952 112.730 114.554 0.212 0.000 3.085 276 T HA 0.348 4.698 4.350 0.001 0.000 0.263 276 T C 1.083 175.755 174.700 -0.047 0.000 1.127 276 T CA 0.712 62.839 62.100 0.045 0.000 1.103 276 T CB 0.095 68.929 68.868 -0.056 0.000 0.921 276 T HN 0.776 nan 8.240 nan 0.000 0.510 277 G N -0.535 108.280 108.800 0.025 0.000 2.555 277 G HA2 -0.113 3.847 3.960 0.001 0.000 0.686 277 G HA3 -0.113 3.847 3.960 0.001 0.000 0.686 277 G C 0.565 175.465 174.900 0.000 0.000 1.275 277 G CA -0.670 44.435 45.100 0.009 0.000 0.871 277 G HN 0.219 nan 8.290 nan 0.000 0.603 278 C N -0.116 119.161 119.300 -0.039 0.000 2.432 278 C HA -0.012 4.448 4.460 0.001 0.000 0.277 278 C C 3.055 177.822 174.990 -0.371 0.000 1.249 278 C CA 1.554 60.483 59.018 -0.149 0.000 1.725 278 C CB -1.554 25.838 27.740 -0.580 0.000 2.028 278 C HN 0.584 nan 8.230 nan 0.000 0.477 279 I N 1.485 121.771 120.570 -0.474 0.000 2.194 279 I HA -0.191 3.979 4.170 0.001 0.000 0.246 279 I C -0.552 175.453 176.117 -0.187 0.000 1.093 279 I CA 1.800 62.884 61.300 -0.360 0.000 1.355 279 I CB -1.747 36.086 38.000 -0.277 0.000 1.046 279 I HN 0.243 nan 8.210 nan 0.000 0.413 280 P HA -0.169 nan 4.420 nan 0.000 0.216 280 P C 1.506 178.600 177.300 -0.343 0.000 1.150 280 P CA 1.633 64.517 63.100 -0.359 0.000 0.837 280 P CB -0.081 31.276 31.700 -0.572 0.000 0.786 281 F N -3.099 116.779 119.950 -0.119 0.000 2.234 281 F HA -0.076 4.451 4.527 0.001 0.000 0.296 281 F C 2.253 177.873 175.800 -0.300 0.000 1.089 281 F CA 0.822 58.674 58.000 -0.246 0.000 1.343 281 F CB -1.512 37.342 39.000 -0.244 0.000 1.040 281 F HN -0.115 nan 8.300 nan 0.000 0.498 282 Y N 1.064 121.330 120.300 -0.056 0.000 2.128 282 Y HA -0.220 4.330 4.550 0.000 0.000 0.284 282 Y C 2.297 178.252 175.900 0.093 0.000 1.154 282 Y CA 0.899 59.061 58.100 0.103 0.000 1.149 282 Y CB -1.190 37.375 38.460 0.176 0.000 0.976 282 Y HN 0.028 nan 8.280 nan 0.000 0.505 283 K N -1.125 119.399 120.400 0.206 0.000 2.074 283 K HA -0.273 4.047 4.320 0.001 0.000 0.209 283 K C 2.002 178.688 176.600 0.144 0.000 1.048 283 K CA 1.896 58.269 56.287 0.144 0.000 0.926 283 K CB -0.402 32.139 32.500 0.069 0.000 0.713 283 K HN 0.306 nan 8.250 nan 0.000 0.444 284 H N -0.152 118.902 119.070 -0.027 0.000 2.357 284 H HA -0.090 4.466 4.556 0.000 0.000 0.301 284 H C 1.552 176.921 175.328 0.069 0.000 1.082 284 H CA 1.573 57.604 56.048 -0.028 0.000 1.342 284 H CB -0.075 29.635 29.762 -0.085 0.000 1.389 284 H HN 0.071 nan 8.280 nan 0.000 0.511 285 F N 0.707 120.724 119.950 0.111 0.000 2.171 285 F HA -0.156 4.372 4.527 0.000 0.000 0.300 285 F C 2.807 178.605 175.800 -0.003 0.000 1.090 285 F CA 1.476 59.482 58.000 0.011 0.000 1.293 285 F CB -1.047 37.974 39.000 0.036 0.000 1.013 285 F HN 0.326 nan 8.300 nan 0.000 0.486 286 Q N 0.317 120.248 119.800 0.219 0.000 2.124 286 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 286 Q C 2.046 178.107 176.000 0.101 0.000 0.977 286 Q CA 2.335 58.231 55.803 0.155 0.000 0.850 286 Q CB -0.148 28.697 28.738 0.178 0.000 0.901 286 Q HN 0.532 nan 8.270 nan 0.000 0.429 287 T N -2.101 112.496 114.554 0.071 0.000 2.904 287 T HA 0.103 4.453 4.350 0.001 0.000 0.267 287 T C 1.867 176.568 174.700 0.000 0.000 1.059 287 T CA 0.746 62.869 62.100 0.038 0.000 1.137 287 T CB -0.299 68.600 68.868 0.051 0.000 0.879 287 T HN 0.330 nan 8.240 nan 0.000 0.467 288 A N 1.510 124.306 122.820 -0.039 0.000 1.877 288 A HA 0.030 4.351 4.320 0.001 0.000 0.216 288 A C 2.592 180.190 177.584 0.023 0.000 1.186 288 A CA 1.613 53.634 52.037 -0.025 0.000 0.620 288 A CB -1.190 17.799 19.000 -0.019 0.000 0.822 288 A HN 0.391 nan 8.150 nan 0.000 0.443 289 V N -0.597 119.344 119.914 0.045 0.000 2.490 289 V HA -0.175 3.945 4.120 0.001 0.000 0.250 289 V C 2.160 178.275 176.094 0.035 0.000 1.061 289 V CA 2.353 64.680 62.300 0.045 0.000 1.064 289 V CB -0.495 31.359 31.823 0.051 0.000 0.670 289 V HN 0.493 nan 8.190 nan 0.000 0.461 290 K N 0.028 120.446 120.400 0.031 0.000 2.373 290 K HA 0.104 4.425 4.320 0.001 0.000 0.202 290 K C 1.905 178.512 176.600 0.011 0.000 1.025 290 K CA 0.548 56.844 56.287 0.016 0.000 1.115 290 K CB 0.144 32.648 32.500 0.007 0.000 0.858 290 K HN 0.564 nan 8.250 nan 0.000 0.525 291 S N -1.041 114.668 115.700 0.015 0.000 2.469 291 S HA -0.136 4.334 4.470 0.001 0.000 0.238 291 S C 1.074 175.680 174.600 0.011 0.000 0.998 291 S CA 0.544 58.751 58.200 0.013 0.000 0.957 291 S CB -0.351 62.857 63.200 0.013 0.000 0.764 291 S HN 0.248 nan 8.310 nan 0.000 0.514 292 C N 2.787 122.094 119.300 0.011 0.000 2.814 292 C HA 0.678 5.139 4.460 0.001 0.000 0.242 292 C C 0.179 175.174 174.990 0.008 0.000 1.704 292 C CA -0.792 58.231 59.018 0.009 0.000 1.608 292 C CB -1.358 26.388 27.740 0.011 0.000 2.939 292 C HN 0.596 nan 8.230 nan 0.000 0.512 293 S N 0.036 115.738 115.700 0.004 0.000 2.603 293 S HA 0.661 5.131 4.470 0.001 0.000 0.274 293 S C -0.501 174.096 174.600 -0.006 0.000 1.168 293 S CA -0.281 57.920 58.200 0.001 0.000 0.963 293 S CB 2.203 65.403 63.200 0.001 0.000 1.078 293 S HN 0.513 nan 8.310 nan 0.000 0.477 294 Q N 2.650 122.448 119.800 -0.004 0.000 1.823 294 Q HA -0.181 4.160 4.340 0.001 0.000 0.353 294 Q C 0.303 176.298 176.000 -0.008 0.000 0.724 294 Q CA 2.551 58.350 55.803 -0.007 0.000 0.937 294 Q CB -1.795 26.934 28.738 -0.015 0.000 2.739 294 Q HN 1.987 nan 8.270 nan 0.000 0.718 295 G N -0.376 108.415 108.800 -0.016 0.000 4.040 295 G HA2 0.561 4.521 3.960 0.001 0.000 0.328 295 G HA3 0.561 4.521 3.960 0.001 0.000 0.328 295 G C 0.657 175.541 174.900 -0.028 0.000 1.503 295 G CA 0.539 45.631 45.100 -0.014 0.000 0.909 295 G HN 1.633 nan 8.290 nan 0.000 0.495 296 G N 0.029 108.813 108.800 -0.026 0.000 2.337 296 G HA2 -0.213 3.748 3.960 0.001 0.000 0.290 296 G HA3 -0.213 3.748 3.960 0.001 0.000 0.290 296 G C 0.958 175.802 174.900 -0.094 0.000 1.003 296 G CA 1.654 46.731 45.100 -0.038 0.000 0.825 296 G HN 1.685 nan 8.290 nan 0.000 0.509 297 V N -4.435 115.415 119.914 -0.106 0.000 3.141 297 V HA 0.496 4.616 4.120 0.001 0.000 0.225 297 V C 0.953 176.978 176.094 -0.116 0.000 1.352 297 V CA 0.896 63.082 62.300 -0.191 0.000 1.316 297 V CB 0.211 31.911 31.823 -0.205 0.000 1.126 297 V HN 0.527 nan 8.190 nan 0.000 0.493 298 R N 2.084 122.551 120.500 -0.055 0.000 2.288 298 R HA 0.633 4.974 4.340 0.001 0.000 0.326 298 R C -0.142 176.158 176.300 -0.000 0.000 0.959 298 R CA 0.717 56.805 56.100 -0.020 0.000 0.834 298 R CB 0.613 30.907 30.300 -0.010 0.000 1.157 298 R HN 1.357 nan 8.270 nan 0.000 0.470 299 G N 1.463 110.271 108.800 0.013 0.000 2.674 299 G HA2 0.323 4.283 3.960 0.001 0.000 0.686 299 G HA3 0.323 4.283 3.960 0.001 0.000 0.686 299 G C -0.043 174.872 174.900 0.025 0.000 1.195 299 G CA -0.083 45.031 45.100 0.024 0.000 0.776 299 G HN 1.382 nan 8.290 nan 0.000 0.654 300 G N -0.750 108.071 108.800 0.035 0.000 3.445 300 G HA2 0.532 4.492 3.960 0.001 0.000 0.634 300 G HA3 0.532 4.492 3.960 0.001 0.000 0.634 300 G C 0.305 175.229 174.900 0.041 0.000 0.909 300 G CA 0.893 46.016 45.100 0.037 0.000 0.740 300 G HN 2.715 nan 8.290 nan 0.000 0.441 301 A N 1.634 124.481 122.820 0.044 0.000 2.469 301 A HA 1.206 5.527 4.320 0.001 0.000 0.299 301 A C 0.227 177.829 177.584 0.030 0.000 1.098 301 A CA 0.089 52.154 52.037 0.046 0.000 0.737 301 A CB 1.969 21.007 19.000 0.063 0.000 1.312 301 A HN 2.722 nan 8.150 nan 0.000 0.414 302 A N 0.140 122.965 122.820 0.009 0.000 2.549 302 A HA 0.805 5.125 4.320 0.001 0.000 0.297 302 A C -0.581 176.955 177.584 -0.079 0.000 1.061 302 A CA -0.403 51.620 52.037 -0.023 0.000 0.690 302 A CB 1.370 20.348 19.000 -0.036 0.000 1.287 302 A HN 0.897 nan 8.150 nan 0.000 0.402 303 T N 1.888 116.399 114.554 -0.072 0.000 2.792 303 T HA 0.573 4.923 4.350 0.001 0.000 0.280 303 T C -0.639 173.889 174.700 -0.286 0.000 0.990 303 T CA -0.167 61.808 62.100 -0.209 0.000 0.960 303 T CB 0.888 69.691 68.868 -0.109 0.000 0.939 303 T HN 0.604 nan 8.240 nan 0.000 0.439 304 L N 3.582 124.528 121.223 -0.462 0.000 2.334 304 L HA 0.781 5.121 4.340 0.001 0.000 0.276 304 L C -1.599 175.095 176.870 -0.293 0.000 1.014 304 L CA -0.833 53.864 54.840 -0.238 0.000 0.815 304 L CB 0.939 42.892 42.059 -0.177 0.000 1.268 304 L HN 0.539 nan 8.230 nan 0.000 0.428 305 F N 3.705 123.718 119.950 0.104 0.000 2.520 305 F HA 0.586 5.114 4.527 0.001 0.000 0.322 305 F C -0.696 175.243 175.800 0.232 0.000 1.103 305 F CA -0.526 57.533 58.000 0.098 0.000 0.926 305 F CB 1.655 40.707 39.000 0.087 0.000 1.154 305 F HN 0.350 nan 8.300 nan 0.000 0.453 306 Y N 0.817 121.309 120.300 0.319 0.000 2.581 306 Y HA 0.745 5.296 4.550 0.000 0.000 0.337 306 Y C -3.384 172.592 175.900 0.127 0.000 1.108 306 Y CA -3.522 54.708 58.100 0.217 0.000 1.033 306 Y CB 1.094 39.622 38.460 0.113 0.000 1.318 306 Y HN 0.240 nan 8.280 nan 0.000 0.459 307 P HA 0.110 nan 4.420 nan 0.000 0.278 307 P C 0.528 177.662 177.300 -0.277 0.000 1.238 307 P CA -0.357 62.573 63.100 -0.284 0.000 0.794 307 P CB 1.571 32.593 31.700 -1.130 0.000 0.955 308 M N 2.749 122.209 119.600 -0.233 0.000 2.267 308 M HA -0.082 4.399 4.480 0.001 0.000 0.263 308 M C 1.002 177.297 176.300 -0.009 0.000 1.063 308 M CA 1.788 57.035 55.300 -0.088 0.000 1.090 308 M CB -0.253 32.278 32.600 -0.114 0.000 1.392 308 M HN 0.482 nan 8.290 nan 0.000 0.422 309 W N -0.732 120.587 121.300 0.032 0.000 3.345 309 W HA 0.146 4.806 4.660 0.000 0.000 0.282 309 W C 0.277 176.899 176.519 0.173 0.000 1.302 309 W CA -0.478 56.936 57.345 0.115 0.000 1.724 309 W CB -1.482 28.091 29.460 0.189 0.000 1.104 309 W HN 0.081 nan 8.180 nan 0.000 0.694 310 H N 2.290 121.312 119.070 -0.080 0.000 2.972 310 H HA -0.082 4.474 4.556 0.001 0.000 0.343 310 H C 1.075 176.445 175.328 0.071 0.000 1.054 310 H CA 0.713 56.752 56.048 -0.014 0.000 1.412 310 H CB 1.716 31.415 29.762 -0.105 0.000 1.385 310 H HN 0.075 nan 8.280 nan 0.000 0.600 311 L N 4.282 125.473 121.223 -0.053 0.000 2.127 311 L HA -0.158 4.182 4.340 0.001 0.000 0.211 311 L C 1.742 178.671 176.870 0.098 0.000 1.089 311 L CA 1.788 56.639 54.840 0.019 0.000 0.757 311 L CB -0.187 41.834 42.059 -0.063 0.000 0.899 311 L HN 0.705 nan 8.230 nan 0.000 0.434 312 E N -1.550 118.822 120.200 0.287 0.000 2.479 312 E HA -0.046 4.304 4.350 0.001 0.000 0.193 312 E C 2.059 178.608 176.600 -0.085 0.000 1.049 312 E CA 0.358 56.789 56.400 0.052 0.000 0.870 312 E CB 0.170 29.848 29.700 -0.037 0.000 0.944 312 E HN 0.382 nan 8.360 nan 0.000 0.492 313 V N 1.461 121.363 119.914 -0.019 0.000 2.370 313 V HA -0.345 3.775 4.120 0.001 0.000 0.252 313 V C 2.005 178.042 176.094 -0.094 0.000 1.068 313 V CA 2.228 64.482 62.300 -0.078 0.000 1.061 313 V CB -0.098 31.761 31.823 0.059 0.000 0.656 313 V HN 0.254 nan 8.190 nan 0.000 0.455 314 E N -0.523 119.636 120.200 -0.068 0.000 2.106 314 E HA -0.136 4.214 4.350 0.001 0.000 0.192 314 E C 2.268 178.808 176.600 -0.099 0.000 0.984 314 E CA 1.467 57.828 56.400 -0.065 0.000 0.806 314 E CB -0.059 29.613 29.700 -0.047 0.000 0.750 314 E HN 0.769 nan 8.360 nan 0.000 0.458 315 S N 0.348 115.966 115.700 -0.136 0.000 2.406 315 S HA -0.009 4.461 4.470 0.001 0.000 0.224 315 S C 1.961 176.419 174.600 -0.237 0.000 1.030 315 S CA 0.364 58.465 58.200 -0.166 0.000 0.958 315 S CB -0.082 63.016 63.200 -0.170 0.000 0.811 315 S HN 0.204 nan 8.310 nan 0.000 0.489 316 L N 1.018 122.039 121.223 -0.337 0.000 2.083 316 L HA -0.070 4.270 4.340 0.001 0.000 0.209 316 L C 2.141 178.815 176.870 -0.326 0.000 1.083 316 L CA 0.647 55.189 54.840 -0.497 0.000 0.752 316 L CB -0.653 40.817 42.059 -0.981 0.000 0.899 316 L HN 0.264 nan 8.230 nan 0.000 0.433 317 L N -0.006 121.127 121.223 -0.149 0.000 2.187 317 L HA -0.137 4.203 4.340 0.001 0.000 0.213 317 L C 2.098 178.914 176.870 -0.090 0.000 1.100 317 L CA 1.651 56.465 54.840 -0.042 0.000 0.765 317 L CB -0.649 41.400 42.059 -0.017 0.000 0.904 317 L HN 0.281 nan 8.230 nan 0.000 0.437 318 V N -5.809 114.030 119.914 -0.125 0.000 3.427 318 V HA 0.147 4.267 4.120 0.001 0.000 0.305 318 V C 1.896 177.922 176.094 -0.114 0.000 1.412 318 V CA -0.032 62.210 62.300 -0.097 0.000 1.086 318 V CB -0.313 31.465 31.823 -0.075 0.000 0.964 318 V HN 0.171 nan 8.190 nan 0.000 0.439 319 L N 1.530 122.638 121.223 -0.191 0.000 2.263 319 L HA -0.147 4.193 4.340 0.001 0.000 0.216 319 L C 2.484 179.324 176.870 -0.050 0.000 1.111 319 L CA 2.446 57.184 54.840 -0.170 0.000 0.773 319 L CB -0.194 41.657 42.059 -0.347 0.000 0.906 319 L HN 0.654 nan 8.230 nan 0.000 0.439 320 K N -1.399 118.989 120.400 -0.020 0.000 2.438 320 K HA 0.061 4.382 4.320 0.001 0.000 0.206 320 K C 0.508 177.101 176.600 -0.012 0.000 1.081 320 K CA -0.313 55.987 56.287 0.022 0.000 1.053 320 K CB -0.094 32.475 32.500 0.115 0.000 0.908 320 K HN 0.058 nan 8.250 nan 0.000 0.556 321 N N 2.761 121.447 118.700 -0.024 0.000 2.438 321 N HA -0.064 4.677 4.740 0.001 0.000 0.267 321 N C -0.970 174.522 175.510 -0.030 0.000 1.222 321 N CA -0.430 52.605 53.050 -0.025 0.000 0.930 321 N CB 0.353 38.823 38.487 -0.028 0.000 1.083 321 N HN 0.265 nan 8.380 nan 0.000 0.476 322 N N 3.279 121.964 118.700 -0.026 0.000 2.430 322 N HA 0.431 5.172 4.740 0.001 0.000 0.265 322 N C -0.856 174.642 175.510 -0.020 0.000 1.100 322 N CA -0.531 52.505 53.050 -0.025 0.000 0.961 322 N CB 0.867 39.341 38.487 -0.022 0.000 1.075 322 N HN 0.713 nan 8.380 nan 0.000 0.478 323 R N 0.987 121.474 120.500 -0.021 0.000 6.352 323 R HA 0.393 4.733 4.340 0.001 0.000 0.230 323 R C -0.761 175.524 176.300 -0.026 0.000 0.896 323 R CA 0.197 56.285 56.100 -0.020 0.000 1.470 323 R CB -0.684 29.605 30.300 -0.019 0.000 1.283 323 R HN 1.279 nan 8.270 nan 0.000 0.759 324 G N 0.509 109.294 108.800 -0.025 0.000 2.733 324 G HA2 -0.094 3.866 3.960 0.001 0.000 0.686 324 G HA3 -0.094 3.866 3.960 0.001 0.000 0.686 324 G C -0.645 174.238 174.900 -0.028 0.000 1.373 324 G CA -0.471 44.611 45.100 -0.030 0.000 0.838 324 G HN 0.633 nan 8.290 nan 0.000 0.588 325 V N 0.894 120.790 119.914 -0.030 0.000 3.185 325 V HA 0.354 4.474 4.120 0.001 0.000 0.305 325 V C 2.024 178.101 176.094 -0.027 0.000 1.090 325 V CA 1.325 63.609 62.300 -0.027 0.000 1.107 325 V CB 1.504 33.311 31.823 -0.027 0.000 1.061 325 V HN 1.141 nan 8.190 nan 0.000 0.480 326 E N 3.163 123.351 120.200 -0.020 0.000 2.136 326 E HA -0.171 4.179 4.350 0.001 0.000 0.202 326 E C 1.755 178.343 176.600 -0.021 0.000 1.019 326 E CA 2.052 58.443 56.400 -0.014 0.000 0.819 326 E CB -0.714 28.981 29.700 -0.007 0.000 0.739 326 E HN 0.874 nan 8.360 nan 0.000 0.458 327 G N -1.214 107.567 108.800 -0.032 0.000 3.026 327 G HA2 -0.111 3.849 3.960 0.001 0.000 0.208 327 G HA3 -0.111 3.849 3.960 0.001 0.000 0.208 327 G C 0.658 175.523 174.900 -0.059 0.000 1.169 327 G CA 0.342 45.415 45.100 -0.044 0.000 0.788 327 G HN 0.307 nan 8.290 nan 0.000 0.533 328 N N -0.574 118.093 118.700 -0.055 0.000 2.184 328 N HA 0.169 4.910 4.740 0.001 0.000 0.206 328 N C -0.005 175.467 175.510 -0.064 0.000 1.151 328 N CA -0.279 52.728 53.050 -0.071 0.000 0.878 328 N CB 0.733 39.178 38.487 -0.069 0.000 1.014 328 N HN -0.115 nan 8.380 nan 0.000 0.512 329 R N 1.234 121.711 120.500 -0.038 0.000 2.409 329 R HA 0.385 4.726 4.340 0.001 0.000 0.313 329 R C -1.214 175.094 176.300 0.012 0.000 0.953 329 R CA -0.577 55.508 56.100 -0.024 0.000 0.849 329 R CB 1.542 31.824 30.300 -0.030 0.000 1.171 329 R HN -0.163 nan 8.270 nan 0.000 0.458 330 V N 5.414 125.360 119.914 0.054 0.000 2.276 330 V HA 0.257 4.378 4.120 0.001 0.000 0.268 330 V C 0.845 177.017 176.094 0.130 0.000 1.032 330 V CA -0.563 61.818 62.300 0.136 0.000 0.810 330 V CB 1.059 33.044 31.823 0.270 0.000 1.060 330 V HN 0.542 nan 8.190 nan 0.000 0.446 331 R N 0.432 120.892 120.500 -0.067 0.000 2.093 331 R HA 0.099 4.439 4.340 0.001 0.000 0.224 331 R C 1.479 177.658 176.300 -0.201 0.000 1.101 331 R CA 1.026 57.002 56.100 -0.206 0.000 0.979 331 R CB -0.131 29.884 30.300 -0.474 0.000 0.877 331 R HN 0.685 nan 8.270 nan 0.000 0.441 332 H N -0.625 118.495 119.070 0.083 0.000 2.567 332 H HA 0.298 4.854 4.556 0.000 0.000 0.294 332 H C 0.090 175.425 175.328 0.011 0.000 1.050 332 H CA 0.286 56.364 56.048 0.048 0.000 1.168 332 H CB -0.085 29.705 29.762 0.046 0.000 1.422 332 H HN 0.108 nan 8.280 nan 0.000 0.562 333 M N 0.554 120.168 119.600 0.023 0.000 2.662 333 M HA 0.237 4.718 4.480 0.001 0.000 0.310 333 M C -0.602 175.454 176.300 -0.406 0.000 1.204 333 M CA -0.862 54.334 55.300 -0.175 0.000 0.891 333 M CB 2.393 34.838 32.600 -0.259 0.000 1.732 333 M HN -0.080 nan 8.290 nan 0.000 0.467 334 D N 0.319 120.451 120.400 -0.446 0.000 2.332 334 D HA 0.535 5.175 4.640 0.001 0.000 0.252 334 D C -1.473 174.313 176.300 -0.857 0.000 1.050 334 D CA 0.193 53.908 54.000 -0.475 0.000 0.970 334 D CB 1.041 41.773 40.800 -0.113 0.000 1.141 334 D HN 0.290 nan 8.370 nan 0.000 0.485 335 Y N -1.093 119.033 120.300 -0.290 0.000 2.477 335 Y HA 0.555 5.105 4.550 0.000 0.000 0.347 335 Y C 0.611 176.271 175.900 -0.399 0.000 0.981 335 Y CA -1.120 56.807 58.100 -0.289 0.000 1.033 335 Y CB 2.530 40.949 38.460 -0.069 0.000 1.245 335 Y HN 0.350 nan 8.280 nan 0.000 0.455 336 G N 1.600 110.142 108.800 -0.431 0.000 2.574 336 G HA2 0.546 4.506 3.960 0.001 0.000 0.306 336 G HA3 0.546 4.506 3.960 0.001 0.000 0.306 336 G C -1.613 173.117 174.900 -0.283 0.000 1.334 336 G CA -0.661 44.264 45.100 -0.290 0.000 0.954 336 G HN 0.437 nan 8.290 nan 0.000 0.500 337 V N 2.799 122.583 119.914 -0.217 0.000 2.432 337 V HA 0.251 4.371 4.120 0.001 0.000 0.275 337 V C 0.166 176.231 176.094 -0.048 0.000 1.043 337 V CA -0.504 61.607 62.300 -0.315 0.000 0.925 337 V CB 1.226 32.907 31.823 -0.237 0.000 0.985 337 V HN 0.744 nan 8.190 nan 0.000 0.466 338 Q N 5.194 124.997 119.800 0.006 0.000 2.349 338 Q HA 0.575 4.915 4.340 0.001 0.000 0.254 338 Q C -0.828 175.286 176.000 0.191 0.000 0.980 338 Q CA 0.007 55.900 55.803 0.151 0.000 0.924 338 Q CB 1.266 30.177 28.738 0.289 0.000 1.209 338 Q HN 0.655 nan 8.270 nan 0.000 0.445 339 I N 2.211 122.839 120.570 0.096 0.000 2.603 339 I HA 0.435 4.605 4.170 0.001 0.000 0.300 339 I C -0.153 175.952 176.117 -0.019 0.000 1.017 339 I CA -1.097 60.224 61.300 0.036 0.000 1.098 339 I CB 1.640 39.546 38.000 -0.156 0.000 1.279 339 I HN 0.593 nan 8.210 nan 0.000 0.437 340 N N 3.575 122.256 118.700 -0.031 0.000 2.629 340 N HA 0.291 5.031 4.740 0.001 0.000 0.279 340 N C 0.174 175.688 175.510 0.006 0.000 1.344 340 N CA -1.055 51.946 53.050 -0.082 0.000 0.789 340 N CB 1.305 39.587 38.487 -0.341 0.000 1.508 340 N HN 0.546 nan 8.380 nan 0.000 0.516 341 K N -0.802 119.618 120.400 0.033 0.000 2.089 341 K HA -0.181 4.139 4.320 0.001 0.000 0.210 341 K C 1.557 178.191 176.600 0.058 0.000 1.048 341 K CA 1.451 57.744 56.287 0.011 0.000 0.926 341 K CB -0.238 32.332 32.500 0.116 0.000 0.714 341 K HN 0.450 nan 8.250 nan 0.000 0.448 342 L N 1.182 122.456 121.223 0.085 0.000 2.012 342 L HA -0.217 4.123 4.340 0.001 0.000 0.210 342 L C 2.139 179.069 176.870 0.100 0.000 1.073 342 L CA 1.791 56.698 54.840 0.112 0.000 0.748 342 L CB -0.535 41.630 42.059 0.177 0.000 0.891 342 L HN 0.283 nan 8.230 nan 0.000 0.431 343 M N -1.752 117.897 119.600 0.082 0.000 2.106 343 M HA -0.264 4.217 4.480 0.001 0.000 0.259 343 M C 2.408 178.798 176.300 0.150 0.000 1.068 343 M CA 1.792 57.160 55.300 0.113 0.000 1.100 343 M CB -1.449 31.169 32.600 0.030 0.000 1.351 343 M HN 0.265 nan 8.290 nan 0.000 0.404 344 Y N 0.833 121.168 120.300 0.059 0.000 2.220 344 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 344 Y C 2.780 178.590 175.900 -0.150 0.000 1.129 344 Y CA 1.658 59.669 58.100 -0.147 0.000 1.161 344 Y CB -1.292 36.969 38.460 -0.332 0.000 0.997 344 Y HN 0.273 nan 8.280 nan 0.000 0.522 345 T N 0.325 114.929 114.554 0.083 0.000 2.665 345 T HA -0.205 4.145 4.350 0.001 0.000 0.268 345 T C 2.029 176.756 174.700 0.046 0.000 1.035 345 T CA 1.444 63.572 62.100 0.047 0.000 1.151 345 T CB -0.170 68.732 68.868 0.057 0.000 0.862 345 T HN 0.151 nan 8.240 nan 0.000 0.438 346 R N 0.846 121.395 120.500 0.082 0.000 2.113 346 R HA -0.084 4.256 4.340 0.001 0.000 0.244 346 R C 2.398 178.731 176.300 0.055 0.000 1.142 346 R CA 1.119 57.277 56.100 0.097 0.000 0.953 346 R CB -1.491 28.907 30.300 0.163 0.000 0.860 346 R HN 0.367 nan 8.270 nan 0.000 0.438 347 L N 1.195 122.416 121.223 -0.004 0.000 1.970 347 L HA -0.147 4.193 4.340 0.001 0.000 0.212 347 L C 2.238 179.052 176.870 -0.094 0.000 1.071 347 L CA 1.700 56.455 54.840 -0.140 0.000 0.751 347 L CB -0.937 40.751 42.059 -0.619 0.000 0.889 347 L HN 0.131 nan 8.230 nan 0.000 0.432 348 L N -0.477 120.696 121.223 -0.083 0.000 2.042 348 L HA -0.234 4.106 4.340 0.001 0.000 0.210 348 L C 1.872 178.730 176.870 -0.020 0.000 1.076 348 L CA 1.633 56.442 54.840 -0.051 0.000 0.749 348 L CB -0.577 41.458 42.059 -0.040 0.000 0.893 348 L HN 0.271 nan 8.230 nan 0.000 0.432 349 K N 0.463 120.862 120.400 -0.002 0.000 2.708 349 K HA 0.157 4.477 4.320 0.001 0.000 0.219 349 K C 0.882 177.493 176.600 0.018 0.000 1.068 349 K CA 0.266 56.560 56.287 0.012 0.000 1.212 349 K CB -0.052 32.461 32.500 0.022 0.000 0.978 349 K HN 0.305 nan 8.250 nan 0.000 0.475 350 G N 2.024 110.832 108.800 0.013 0.000 2.447 350 G HA2 -0.308 3.652 3.960 0.001 0.000 0.293 350 G HA3 -0.308 3.652 3.960 0.001 0.000 0.293 350 G C -0.197 174.725 174.900 0.037 0.000 0.894 350 G CA 0.804 45.918 45.100 0.023 0.000 1.066 350 G HN 0.472 nan 8.290 nan 0.000 0.503 351 E N -0.560 119.670 120.200 0.050 0.000 2.803 351 E HA 0.431 4.781 4.350 0.001 0.000 0.250 351 E C -0.124 176.523 176.600 0.078 0.000 1.102 351 E CA -0.941 55.495 56.400 0.059 0.000 1.017 351 E CB 0.779 30.518 29.700 0.065 0.000 1.346 351 E HN 0.228 nan 8.360 nan 0.000 0.532 352 D N 0.296 120.744 120.400 0.081 0.000 2.277 352 D HA 0.359 5.000 4.640 0.001 0.000 0.250 352 D C -0.519 175.866 176.300 0.142 0.000 1.032 352 D CA -0.158 53.895 54.000 0.090 0.000 0.947 352 D CB 1.276 42.108 40.800 0.052 0.000 1.159 352 D HN 0.196 nan 8.370 nan 0.000 0.460 353 I N 0.839 121.500 120.570 0.152 0.000 2.404 353 I HA 0.118 4.288 4.170 0.001 0.000 0.293 353 I C 0.050 176.269 176.117 0.170 0.000 0.992 353 I CA -0.320 61.115 61.300 0.225 0.000 1.149 353 I CB 1.750 39.877 38.000 0.213 0.000 1.315 353 I HN 0.051 nan 8.210 nan 0.000 0.446 354 T N 7.184 121.874 114.554 0.228 0.000 2.799 354 T HA 0.504 4.854 4.350 0.001 0.000 0.286 354 T C -0.117 174.558 174.700 -0.042 0.000 0.973 354 T CA -0.490 61.567 62.100 -0.072 0.000 1.035 354 T CB 0.691 69.343 68.868 -0.359 0.000 0.932 354 T HN 0.261 nan 8.240 nan 0.000 0.469 355 L N 4.103 125.197 121.223 -0.215 0.000 2.275 355 L HA 0.593 4.933 4.340 0.001 0.000 0.288 355 L C -0.705 175.962 176.870 -0.338 0.000 1.046 355 L CA -0.653 54.159 54.840 -0.048 0.000 0.805 355 L CB 0.377 42.434 42.059 -0.003 0.000 1.193 355 L HN 0.572 nan 8.230 nan 0.000 0.426 356 F N 0.038 120.116 119.950 0.212 0.000 2.598 356 F HA 0.415 4.942 4.527 0.001 0.000 0.327 356 F C 0.544 176.371 175.800 0.046 0.000 1.057 356 F CA -0.913 57.142 58.000 0.091 0.000 0.957 356 F CB 1.975 40.988 39.000 0.022 0.000 1.278 356 F HN 0.347 nan 8.300 nan 0.000 0.484 357 S N 2.798 118.576 115.700 0.130 0.000 2.523 357 S HA 0.256 4.726 4.470 0.001 0.000 0.275 357 S C -1.524 173.137 174.600 0.102 0.000 1.281 357 S CA -1.462 56.706 58.200 -0.054 0.000 1.050 357 S CB 0.963 64.131 63.200 -0.053 0.000 0.937 357 S HN 0.404 nan 8.310 nan 0.000 0.492 358 P HA -0.114 nan 4.420 nan 0.000 0.219 358 P C 1.399 178.739 177.300 0.066 0.000 1.146 358 P CA 1.184 64.424 63.100 0.234 0.000 0.808 358 P CB -0.302 31.516 31.700 0.198 0.000 0.779 359 S N -1.136 114.565 115.700 0.001 0.000 2.474 359 S HA -0.098 4.372 4.470 0.001 0.000 0.235 359 S C 1.329 175.893 174.600 -0.059 0.000 0.997 359 S CA 0.989 59.161 58.200 -0.047 0.000 0.949 359 S CB -0.821 62.335 63.200 -0.074 0.000 0.766 359 S HN 0.043 nan 8.310 nan 0.000 0.517 360 D N 1.188 121.552 120.400 -0.060 0.000 2.360 360 D HA 0.147 4.788 4.640 0.001 0.000 0.210 360 D C 0.339 176.480 176.300 -0.265 0.000 1.047 360 D CA 0.382 54.322 54.000 -0.101 0.000 0.854 360 D CB 1.008 41.788 40.800 -0.032 0.000 0.936 360 D HN 0.509 nan 8.370 nan 0.000 0.514 361 V N -0.355 119.353 119.914 -0.343 0.000 2.320 361 V HA 0.428 4.548 4.120 0.001 0.000 0.268 361 V C -2.813 173.029 176.094 -0.421 0.000 1.021 361 V CA -2.048 59.797 62.300 -0.758 0.000 0.813 361 V CB 1.170 32.401 31.823 -0.986 0.000 1.054 361 V HN -0.214 nan 8.190 nan 0.000 0.444 362 P HA 0.253 nan 4.420 nan 0.000 0.268 362 P C 1.181 178.521 177.300 0.068 0.000 1.204 362 P CA 1.677 64.756 63.100 -0.035 0.000 0.768 362 P CB 1.289 32.995 31.700 0.009 0.000 0.842 363 G N 2.385 111.254 108.800 0.115 0.000 2.245 363 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 363 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 363 G C 0.795 175.820 174.900 0.208 0.000 0.985 363 G CA 0.232 45.429 45.100 0.161 0.000 0.625 363 G HN 0.542 nan 8.290 nan 0.000 0.536 364 L N -0.594 120.732 121.223 0.173 0.000 2.072 364 L HA 0.080 4.420 4.340 0.001 0.000 0.205 364 L C 2.350 179.455 176.870 0.391 0.000 1.079 364 L CA 2.757 57.691 54.840 0.157 0.000 0.752 364 L CB -0.737 41.220 42.059 -0.170 0.000 0.906 364 L HN 0.448 nan 8.230 nan 0.000 0.436 365 Y N 1.403 121.935 120.300 0.385 0.000 2.097 365 Y HA -0.303 4.247 4.550 0.000 0.000 0.282 365 Y C 2.382 178.669 175.900 0.644 0.000 1.152 365 Y CA 2.132 60.605 58.100 0.621 0.000 1.136 365 Y CB -0.248 38.523 38.460 0.518 0.000 0.975 365 Y HN 0.285 nan 8.280 nan 0.000 0.498 366 D N 0.067 120.761 120.400 0.491 0.000 2.106 366 D HA -0.239 4.401 4.640 0.001 0.000 0.191 366 D C 2.309 178.801 176.300 0.319 0.000 0.997 366 D CA 1.760 55.978 54.000 0.364 0.000 0.834 366 D CB -0.832 40.129 40.800 0.269 0.000 0.956 366 D HN 0.473 nan 8.370 nan 0.000 0.448 367 A N 0.523 123.528 122.820 0.309 0.000 1.908 367 A HA -0.199 4.121 4.320 0.001 0.000 0.218 367 A C 2.107 179.835 177.584 0.239 0.000 1.181 367 A CA 1.173 53.377 52.037 0.278 0.000 0.627 367 A CB -1.108 18.080 19.000 0.314 0.000 0.818 367 A HN 0.245 nan 8.150 nan 0.000 0.445 368 F N -0.191 119.783 119.950 0.040 0.000 2.184 368 F HA -0.229 4.298 4.527 0.000 0.000 0.301 368 F C 1.601 177.044 175.800 -0.595 0.000 1.076 368 F CA 1.735 59.421 58.000 -0.522 0.000 1.295 368 F CB -0.371 38.347 39.000 -0.471 0.000 1.026 368 F HN 0.241 nan 8.300 nan 0.000 0.494 369 F N -1.083 118.746 119.950 -0.203 0.000 2.505 369 F HA 0.280 4.807 4.527 0.001 0.000 0.289 369 F C 2.282 177.996 175.800 -0.143 0.000 1.101 369 F CA 0.756 58.596 58.000 -0.267 0.000 1.446 369 F CB -0.886 37.992 39.000 -0.205 0.000 1.123 369 F HN -0.048 nan 8.300 nan 0.000 0.564 370 A N -1.888 121.002 122.820 0.118 0.000 2.197 370 A HA 0.176 4.497 4.320 0.001 0.000 0.210 370 A C -0.196 177.426 177.584 0.063 0.000 1.180 370 A CA 0.559 52.650 52.037 0.090 0.000 0.846 370 A CB 0.223 19.285 19.000 0.104 0.000 0.884 370 A HN 0.152 nan 8.150 nan 0.000 0.487 371 D N -1.018 119.421 120.400 0.065 0.000 2.362 371 D HA 0.143 4.783 4.640 0.001 0.000 0.232 371 D C 0.357 176.716 176.300 0.098 0.000 1.329 371 D CA -0.230 53.815 54.000 0.074 0.000 0.944 371 D CB 0.603 41.455 40.800 0.086 0.000 1.471 371 D HN -0.068 nan 8.370 nan 0.000 0.533 372 Q N 1.214 121.056 119.800 0.070 0.000 2.119 372 Q HA -0.123 4.217 4.340 0.001 0.000 0.201 372 Q C 1.684 177.779 176.000 0.159 0.000 0.972 372 Q CA 1.194 57.057 55.803 0.100 0.000 0.847 372 Q CB 0.210 28.980 28.738 0.054 0.000 0.903 372 Q HN 0.729 nan 8.270 nan 0.000 0.433 373 E N 0.507 120.770 120.200 0.105 0.000 2.112 373 E HA -0.188 4.162 4.350 0.001 0.000 0.190 373 E C 1.703 178.350 176.600 0.078 0.000 0.979 373 E CA 1.170 57.621 56.400 0.085 0.000 0.814 373 E CB -0.169 29.561 29.700 0.051 0.000 0.762 373 E HN 0.271 nan 8.360 nan 0.000 0.460 374 E N 0.963 121.215 120.200 0.087 0.000 2.110 374 E HA -0.183 4.167 4.350 0.001 0.000 0.193 374 E C 1.871 178.525 176.600 0.091 0.000 0.988 374 E CA 1.022 57.464 56.400 0.070 0.000 0.804 374 E CB -0.611 29.135 29.700 0.078 0.000 0.745 374 E HN 0.303 nan 8.360 nan 0.000 0.458 375 F N 1.515 121.479 119.950 0.024 0.000 2.069 375 F HA -0.194 4.333 4.527 0.000 0.000 0.298 375 F C 2.261 178.072 175.800 0.019 0.000 1.113 375 F CA 2.381 60.395 58.000 0.023 0.000 1.214 375 F CB -0.595 38.429 39.000 0.040 0.000 0.978 375 F HN 0.177 nan 8.300 nan 0.000 0.474 376 E N 0.236 120.456 120.200 0.034 0.000 2.070 376 E HA -0.316 4.034 4.350 0.001 0.000 0.197 376 E C 2.559 179.101 176.600 -0.097 0.000 1.004 376 E CA 1.697 58.073 56.400 -0.040 0.000 0.805 376 E CB -0.418 29.322 29.700 0.067 0.000 0.744 376 E HN 0.422 nan 8.360 nan 0.000 0.451 377 R N 0.178 120.633 120.500 -0.075 0.000 2.094 377 R HA -0.191 4.150 4.340 0.001 0.000 0.239 377 R C 2.529 178.698 176.300 -0.218 0.000 1.137 377 R CA 1.868 57.900 56.100 -0.113 0.000 0.943 377 R CB -0.380 29.872 30.300 -0.080 0.000 0.850 377 R HN 0.304 nan 8.270 nan 0.000 0.433 378 L N -0.719 120.355 121.223 -0.249 0.000 2.027 378 L HA -0.208 4.133 4.340 0.001 0.000 0.206 378 L C 2.467 179.055 176.870 -0.469 0.000 1.074 378 L CA 1.383 55.986 54.840 -0.394 0.000 0.745 378 L CB -0.669 41.290 42.059 -0.168 0.000 0.898 378 L HN 0.280 nan 8.230 nan 0.000 0.433 379 Y N 1.259 121.198 120.300 -0.602 0.000 2.097 379 Y HA -0.335 4.216 4.550 0.000 0.000 0.282 379 Y C 3.006 178.718 175.900 -0.312 0.000 1.152 379 Y CA 2.327 60.062 58.100 -0.608 0.000 1.136 379 Y CB -0.519 37.374 38.460 -0.944 0.000 0.975 379 Y HN 0.330 nan 8.280 nan 0.000 0.498 380 T N -1.869 112.576 114.554 -0.182 0.000 2.867 380 T HA -0.188 4.162 4.350 0.001 0.000 0.268 380 T C 1.918 176.495 174.700 -0.205 0.000 1.057 380 T CA 1.457 63.465 62.100 -0.154 0.000 1.136 380 T CB -0.442 68.389 68.868 -0.061 0.000 0.874 380 T HN 0.361 nan 8.240 nan 0.000 0.466 381 K N 0.272 120.491 120.400 -0.301 0.000 1.991 381 K HA -0.171 4.149 4.320 0.001 0.000 0.212 381 K C 2.022 178.426 176.600 -0.327 0.000 1.049 381 K CA 1.687 57.755 56.287 -0.364 0.000 0.932 381 K CB -0.571 31.599 32.500 -0.550 0.000 0.717 381 K HN 0.407 nan 8.250 nan 0.000 0.441 382 Y N 1.507 121.665 120.300 -0.236 0.000 2.333 382 Y HA -0.087 4.463 4.550 0.000 0.000 0.290 382 Y C 2.067 177.945 175.900 -0.037 0.000 1.144 382 Y CA 1.216 59.190 58.100 -0.210 0.000 1.228 382 Y CB -0.333 37.823 38.460 -0.506 0.000 0.985 382 Y HN 0.278 nan 8.280 nan 0.000 0.542 383 E N 0.174 120.390 120.200 0.027 0.000 2.085 383 E HA -0.235 4.115 4.350 0.001 0.000 0.194 383 E C 1.978 178.570 176.600 -0.013 0.000 0.994 383 E CA 1.362 57.764 56.400 0.003 0.000 0.801 383 E CB -0.100 29.514 29.700 -0.142 0.000 0.743 383 E HN 0.326 nan 8.360 nan 0.000 0.453 384 K N 0.867 121.244 120.400 -0.038 0.000 2.155 384 K HA -0.080 4.241 4.320 0.001 0.000 0.203 384 K C 0.502 177.095 176.600 -0.011 0.000 1.052 384 K CA 0.502 56.768 56.287 -0.034 0.000 0.948 384 K CB 0.093 32.560 32.500 -0.055 0.000 0.728 384 K HN -0.019 nan 8.250 nan 0.000 0.448 385 D N 0.819 121.228 120.400 0.014 0.000 2.358 385 D HA -0.055 4.585 4.640 0.001 0.000 0.258 385 D C -0.011 176.315 176.300 0.043 0.000 1.223 385 D CA 0.276 54.298 54.000 0.036 0.000 0.886 385 D CB 0.763 41.611 40.800 0.080 0.000 1.120 385 D HN 0.047 nan 8.370 nan 0.000 0.482 386 D N 1.678 122.090 120.400 0.020 0.000 2.323 386 D HA -0.119 4.521 4.640 0.001 0.000 0.209 386 D C 1.628 177.935 176.300 0.013 0.000 0.973 386 D CA 0.568 54.574 54.000 0.010 0.000 0.874 386 D CB 0.207 41.006 40.800 -0.001 0.000 0.930 386 D HN 0.489 nan 8.370 nan 0.000 0.521 387 S N 0.040 115.753 115.700 0.021 0.000 2.562 387 S HA 0.011 4.481 4.470 0.001 0.000 0.221 387 S C 0.993 175.608 174.600 0.025 0.000 0.975 387 S CA -0.206 58.005 58.200 0.018 0.000 0.918 387 S CB 0.042 63.252 63.200 0.017 0.000 0.772 387 S HN -0.008 nan 8.310 nan 0.000 0.531 388 I N 3.080 123.679 120.570 0.048 0.000 2.416 388 I HA 0.294 4.465 4.170 0.001 0.000 0.288 388 I C 0.778 176.922 176.117 0.045 0.000 1.051 388 I CA -0.272 61.067 61.300 0.065 0.000 1.375 388 I CB 0.414 38.500 38.000 0.143 0.000 1.407 388 I HN 0.282 nan 8.210 nan 0.000 0.516 389 R N 7.433 127.948 120.500 0.024 0.000 2.570 389 R HA 0.205 4.545 4.340 0.001 0.000 0.277 389 R C -0.384 175.890 176.300 -0.043 0.000 1.039 389 R CA 0.293 56.385 56.100 -0.013 0.000 1.065 389 R CB 0.531 30.819 30.300 -0.019 0.000 0.964 389 R HN 0.860 nan 8.270 nan 0.000 0.428 390 K N 1.961 122.276 120.400 -0.141 0.000 2.615 390 K HA 0.251 4.571 4.320 0.001 0.000 0.291 390 K C -1.796 174.651 176.600 -0.255 0.000 1.017 390 K CA -1.116 54.967 56.287 -0.340 0.000 0.882 390 K CB 1.482 33.673 32.500 -0.515 0.000 1.522 390 K HN 0.489 nan 8.250 nan 0.000 0.412 391 Q N 1.279 120.900 119.800 -0.299 0.000 2.284 391 Q HA 0.334 4.675 4.340 0.001 0.000 0.269 391 Q C -1.522 174.376 176.000 -0.170 0.000 1.026 391 Q CA -0.751 54.944 55.803 -0.179 0.000 0.831 391 Q CB 2.326 30.992 28.738 -0.119 0.000 1.322 391 Q HN 0.623 nan 8.270 nan 0.000 0.419 392 R N 1.142 121.571 120.500 -0.117 0.000 2.297 392 R HA 0.543 4.883 4.340 0.001 0.000 0.308 392 R C -0.269 176.008 176.300 -0.037 0.000 1.029 392 R CA -0.306 55.748 56.100 -0.077 0.000 0.929 392 R CB 1.325 31.588 30.300 -0.062 0.000 1.046 392 R HN 0.447 nan 8.270 nan 0.000 0.461 393 V N -0.702 119.209 119.914 -0.006 0.000 3.078 393 V HA 0.566 4.686 4.120 0.001 0.000 0.311 393 V C -0.811 175.308 176.094 0.041 0.000 1.138 393 V CA -1.354 60.954 62.300 0.014 0.000 1.007 393 V CB 2.158 33.990 31.823 0.015 0.000 1.045 393 V HN 0.418 nan 8.190 nan 0.000 0.432 394 K N 2.035 122.462 120.400 0.045 0.000 2.349 394 K HA 0.681 5.001 4.320 0.001 0.000 0.288 394 K C 1.067 177.728 176.600 0.102 0.000 1.058 394 K CA 0.603 56.928 56.287 0.063 0.000 0.953 394 K CB 0.932 33.461 32.500 0.048 0.000 0.997 394 K HN 0.980 nan 8.250 nan 0.000 0.477 395 A N 3.768 126.670 122.820 0.136 0.000 1.940 395 A HA -0.148 4.172 4.320 0.001 0.000 0.219 395 A C 1.725 179.487 177.584 0.297 0.000 1.176 395 A CA 2.036 54.214 52.037 0.236 0.000 0.631 395 A CB -0.576 18.562 19.000 0.231 0.000 0.814 395 A HN 0.546 nan 8.150 nan 0.000 0.446 396 V N -0.276 119.737 119.914 0.165 0.000 2.490 396 V HA -0.252 3.868 4.120 0.001 0.000 0.250 396 V C 2.266 178.450 176.094 0.149 0.000 1.061 396 V CA 2.187 64.569 62.300 0.136 0.000 1.064 396 V CB -0.916 30.948 31.823 0.068 0.000 0.670 396 V HN 0.626 nan 8.190 nan 0.000 0.461 397 E N -0.026 120.244 120.200 0.116 0.000 2.046 397 E HA -0.154 4.197 4.350 0.001 0.000 0.190 397 E C 2.124 178.772 176.600 0.080 0.000 0.982 397 E CA 0.959 57.407 56.400 0.081 0.000 0.800 397 E CB -0.209 29.521 29.700 0.050 0.000 0.756 397 E HN 0.372 nan 8.360 nan 0.000 0.449 398 L N 0.263 121.534 121.223 0.081 0.000 2.012 398 L HA -0.162 4.178 4.340 0.001 0.000 0.210 398 L C 1.910 178.762 176.870 -0.029 0.000 1.073 398 L CA 1.683 56.526 54.840 0.005 0.000 0.748 398 L CB -0.503 41.533 42.059 -0.038 0.000 0.891 398 L HN 0.076 nan 8.230 nan 0.000 0.431 399 F N -0.834 119.127 119.950 0.018 0.000 2.216 399 F HA -0.189 4.339 4.527 0.000 0.000 0.300 399 F C 2.542 178.355 175.800 0.021 0.000 1.085 399 F CA 1.579 59.590 58.000 0.018 0.000 1.326 399 F CB -0.522 38.492 39.000 0.023 0.000 1.027 399 F HN 0.058 nan 8.300 nan 0.000 0.497 400 S N -0.187 115.625 115.700 0.187 0.000 2.414 400 S HA -0.090 4.381 4.470 0.001 0.000 0.227 400 S C 1.880 176.513 174.600 0.055 0.000 1.022 400 S CA 0.593 58.855 58.200 0.104 0.000 0.958 400 S CB -0.375 62.870 63.200 0.076 0.000 0.797 400 S HN 0.263 nan 8.310 nan 0.000 0.493 401 L N 1.803 123.048 121.223 0.038 0.000 2.072 401 L HA 0.132 4.472 4.340 0.001 0.000 0.205 401 L C 2.188 179.060 176.870 0.003 0.000 1.079 401 L CA 1.567 56.413 54.840 0.010 0.000 0.752 401 L CB -0.572 41.485 42.059 -0.003 0.000 0.906 401 L HN 0.312 nan 8.230 nan 0.000 0.436 402 M N -1.441 118.158 119.600 -0.002 0.000 2.065 402 M HA -0.253 4.227 4.480 0.001 0.000 0.259 402 M C 1.981 178.297 176.300 0.026 0.000 1.069 402 M CA 1.964 57.261 55.300 -0.005 0.000 1.110 402 M CB -0.052 32.514 32.600 -0.055 0.000 1.328 402 M HN 0.277 nan 8.290 nan 0.000 0.405 403 M N -0.017 119.617 119.600 0.056 0.000 2.229 403 M HA -0.139 4.342 4.480 0.001 0.000 0.264 403 M C 1.960 178.269 176.300 0.016 0.000 1.063 403 M CA 1.561 56.896 55.300 0.058 0.000 1.114 403 M CB -1.389 31.261 32.600 0.084 0.000 1.387 403 M HN 0.432 nan 8.290 nan 0.000 0.420 404 Q N 0.099 119.904 119.800 0.007 0.000 2.002 404 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 404 Q C 2.060 178.055 176.000 -0.008 0.000 0.988 404 Q CA 1.420 57.216 55.803 -0.011 0.000 0.843 404 Q CB -0.010 28.723 28.738 -0.009 0.000 0.908 404 Q HN 0.390 nan 8.270 nan 0.000 0.420 405 E N 0.397 120.594 120.200 -0.004 0.000 2.070 405 E HA -0.240 4.110 4.350 0.001 0.000 0.197 405 E C 1.894 178.495 176.600 0.002 0.000 1.004 405 E CA 1.132 57.528 56.400 -0.006 0.000 0.805 405 E CB -0.353 29.340 29.700 -0.011 0.000 0.744 405 E HN 0.281 nan 8.360 nan 0.000 0.451 406 R N 0.689 121.197 120.500 0.013 0.000 2.112 406 R HA -0.209 4.131 4.340 0.001 0.000 0.242 406 R C 2.261 178.587 176.300 0.045 0.000 1.137 406 R CA 2.031 58.152 56.100 0.035 0.000 0.944 406 R CB -0.324 30.018 30.300 0.070 0.000 0.857 406 R HN 0.169 nan 8.270 nan 0.000 0.435 407 A N 0.178 123.011 122.820 0.021 0.000 1.902 407 A HA -0.179 4.141 4.320 0.001 0.000 0.217 407 A C 2.227 179.817 177.584 0.010 0.000 1.181 407 A CA 2.047 54.086 52.037 0.003 0.000 0.623 407 A CB -0.685 18.279 19.000 -0.060 0.000 0.818 407 A HN 0.660 nan 8.150 nan 0.000 0.443 408 S N -0.785 114.915 115.700 0.000 0.000 2.414 408 S HA -0.112 4.358 4.470 0.001 0.000 0.227 408 S C 1.867 176.472 174.600 0.008 0.000 1.022 408 S CA 1.758 59.958 58.200 -0.000 0.000 0.958 408 S CB -0.877 62.318 63.200 -0.009 0.000 0.797 408 S HN 0.768 nan 8.310 nan 0.000 0.493 409 T N -3.174 111.387 114.554 0.011 0.000 3.039 409 T HA 0.476 4.826 4.350 0.001 0.000 0.250 409 T C 1.866 176.580 174.700 0.024 0.000 1.052 409 T CA 0.997 63.103 62.100 0.012 0.000 1.125 409 T CB -0.521 68.350 68.868 0.005 0.000 0.908 409 T HN 1.200 nan 8.240 nan 0.000 0.473 410 G N 2.414 111.243 108.800 0.048 0.000 2.205 410 G HA2 -0.258 3.702 3.960 0.001 0.000 0.261 410 G HA3 -0.258 3.702 3.960 0.001 0.000 0.261 410 G C 0.788 175.787 174.900 0.166 0.000 0.980 410 G CA 0.230 45.395 45.100 0.108 0.000 0.632 410 G HN 0.615 nan 8.290 nan 0.000 0.533 411 R N -0.044 120.459 120.500 0.004 0.000 2.700 411 R HA 0.416 4.756 4.340 0.001 0.000 0.399 411 R C -0.013 175.874 176.300 -0.690 0.000 1.115 411 R CA -0.289 55.648 56.100 -0.272 0.000 1.058 411 R CB 0.375 30.625 30.300 -0.083 0.000 1.389 411 R HN 0.359 nan 8.270 nan 0.000 0.582 412 I N 2.120 122.451 120.570 -0.397 0.000 2.328 412 I HA 0.306 4.476 4.170 0.001 0.000 0.287 412 I C -0.273 175.733 176.117 -0.185 0.000 1.012 412 I CA -1.329 59.788 61.300 -0.306 0.000 1.195 412 I CB 0.327 38.283 38.000 -0.073 0.000 1.350 412 I HN -0.037 nan 8.210 nan 0.000 0.464 413 Y N 6.221 126.545 120.300 0.041 0.000 2.488 413 Y HA 0.582 5.132 4.550 0.000 0.000 0.325 413 Y C 0.204 176.134 175.900 0.051 0.000 1.204 413 Y CA -1.475 56.655 58.100 0.049 0.000 1.229 413 Y CB 1.005 39.474 38.460 0.015 0.000 1.274 413 Y HN 0.290 nan 8.280 nan 0.000 0.493 414 I N 1.132 121.879 120.570 0.296 0.000 2.418 414 I HA 0.272 4.442 4.170 0.001 0.000 0.287 414 I C -0.606 175.658 176.117 0.246 0.000 1.008 414 I CA -0.589 60.850 61.300 0.231 0.000 1.104 414 I CB 1.757 39.909 38.000 0.255 0.000 1.264 414 I HN 0.500 nan 8.210 nan 0.000 0.438 415 Q N 5.803 125.743 119.800 0.234 0.000 2.368 415 Q HA 0.384 4.724 4.340 0.001 0.000 0.263 415 Q C -1.007 175.092 176.000 0.164 0.000 1.009 415 Q CA -0.711 55.222 55.803 0.216 0.000 0.818 415 Q CB 0.911 29.799 28.738 0.250 0.000 1.239 415 Q HN 0.485 nan 8.270 nan 0.000 0.464 416 N N 4.303 123.107 118.700 0.174 0.000 2.466 416 N HA 0.003 4.744 4.740 0.001 0.000 0.263 416 N C 1.021 176.538 175.510 0.012 0.000 1.178 416 N CA 0.102 53.234 53.050 0.136 0.000 0.983 416 N CB 1.280 39.868 38.487 0.167 0.000 1.331 416 N HN 0.573 nan 8.380 nan 0.000 0.500 417 V N -0.477 119.364 119.914 -0.121 0.000 2.809 417 V HA -0.173 3.947 4.120 0.001 0.000 0.256 417 V C 1.403 177.383 176.094 -0.189 0.000 1.080 417 V CA 1.315 63.500 62.300 -0.191 0.000 1.102 417 V CB -0.340 31.194 31.823 -0.481 0.000 0.705 417 V HN 0.337 nan 8.190 nan 0.000 0.475 418 D N -0.011 120.263 120.400 -0.211 0.000 2.097 418 D HA -0.224 4.416 4.640 0.001 0.000 0.197 418 D C 1.961 178.291 176.300 0.050 0.000 0.984 418 D CA 1.977 55.916 54.000 -0.102 0.000 0.826 418 D CB -0.890 39.871 40.800 -0.065 0.000 0.973 418 D HN 0.504 nan 8.370 nan 0.000 0.460 419 H N -0.023 119.041 119.070 -0.011 0.000 2.387 419 H HA 0.007 4.564 4.556 0.000 0.000 0.299 419 H C 2.212 177.555 175.328 0.025 0.000 1.099 419 H CA 0.562 56.595 56.048 -0.024 0.000 1.315 419 H CB -0.853 28.867 29.762 -0.070 0.000 1.380 419 H HN 0.283 nan 8.280 nan 0.000 0.513 420 C N 0.507 119.894 119.300 0.145 0.000 2.432 420 C HA -0.024 4.436 4.460 0.001 0.000 0.282 420 C C 2.122 177.162 174.990 0.083 0.000 1.388 420 C CA 0.669 59.745 59.018 0.097 0.000 1.777 420 C CB -0.461 27.320 27.740 0.068 0.000 1.882 420 C HN 0.604 nan 8.230 nan 0.000 0.520 421 N N -0.665 118.081 118.700 0.076 0.000 2.257 421 N HA -0.029 4.711 4.740 0.001 0.000 0.200 421 N C 1.720 177.266 175.510 0.060 0.000 1.163 421 N CA 1.166 54.256 53.050 0.066 0.000 0.891 421 N CB 0.069 38.589 38.487 0.055 0.000 1.067 421 N HN 0.652 nan 8.380 nan 0.000 0.497 422 T N -2.309 112.289 114.554 0.074 0.000 3.031 422 T HA -0.015 4.335 4.350 0.001 0.000 0.254 422 T C 0.640 175.393 174.700 0.088 0.000 1.060 422 T CA 0.791 62.928 62.100 0.060 0.000 1.135 422 T CB -0.154 68.746 68.868 0.052 0.000 0.896 422 T HN 0.026 nan 8.240 nan 0.000 0.472 423 H N 1.186 120.241 119.070 -0.026 0.000 2.643 423 H HA 0.712 5.268 4.556 0.001 0.000 0.259 423 H C -1.058 174.257 175.328 -0.022 0.000 1.298 423 H CA -0.805 55.211 56.048 -0.053 0.000 1.301 423 H CB 0.149 29.862 29.762 -0.081 0.000 1.422 423 H HN 0.303 nan 8.280 nan 0.000 0.521 424 S N 4.564 120.172 115.700 -0.153 0.000 2.542 424 S HA 0.259 4.730 4.470 0.001 0.000 0.276 424 S C -2.304 172.180 174.600 -0.192 0.000 1.148 424 S CA -1.116 57.013 58.200 -0.119 0.000 0.886 424 S CB 1.428 64.653 63.200 0.042 0.000 1.109 424 S HN 0.389 nan 8.310 nan 0.000 0.458 425 P HA 0.090 nan 4.420 nan 0.000 0.225 425 P C -0.080 176.912 177.300 -0.513 0.000 1.148 425 P CA 0.774 63.631 63.100 -0.405 0.000 0.779 425 P CB -0.159 31.306 31.700 -0.392 0.000 0.780 426 F N 0.524 120.458 119.950 -0.026 0.000 2.432 426 F HA 0.350 4.877 4.527 0.000 0.000 0.329 426 F C 0.890 176.666 175.800 -0.040 0.000 1.076 426 F CA -1.137 56.851 58.000 -0.019 0.000 1.018 426 F CB 0.542 39.542 39.000 -0.000 0.000 1.201 426 F HN -0.306 nan 8.300 nan 0.000 0.489 427 D N 3.983 124.477 120.400 0.156 0.000 2.380 427 D HA 0.223 4.863 4.640 0.001 0.000 0.230 427 D C -1.726 174.619 176.300 0.076 0.000 1.154 427 D CA -2.669 51.372 54.000 0.068 0.000 0.859 427 D CB 1.294 42.108 40.800 0.023 0.000 1.045 427 D HN 0.095 nan 8.370 nan 0.000 0.495 428 P HA -0.131 nan 4.420 nan 0.000 0.225 428 P C 1.003 178.326 177.300 0.039 0.000 1.148 428 P CA 0.649 63.780 63.100 0.052 0.000 0.779 428 P CB 0.188 31.921 31.700 0.055 0.000 0.780 429 A N -0.463 122.376 122.820 0.032 0.000 2.019 429 A HA -0.095 4.226 4.320 0.001 0.000 0.219 429 A C 2.136 179.725 177.584 0.010 0.000 1.164 429 A CA 1.351 53.402 52.037 0.024 0.000 0.644 429 A CB -1.047 17.963 19.000 0.017 0.000 0.805 429 A HN 0.237 nan 8.150 nan 0.000 0.449 430 I N -3.055 117.518 120.570 0.004 0.000 3.812 430 I HA 0.277 4.448 4.170 0.001 0.000 0.292 430 I C 0.998 177.095 176.117 -0.034 0.000 1.206 430 I CA 0.734 62.021 61.300 -0.021 0.000 1.370 430 I CB 0.517 38.503 38.000 -0.023 0.000 1.328 430 I HN 0.163 nan 8.210 nan 0.000 0.453 431 A N 2.900 125.717 122.820 -0.006 0.000 3.266 431 A HA 0.491 4.811 4.320 0.001 0.000 0.310 431 A C -2.719 174.818 177.584 -0.078 0.000 1.066 431 A CA -1.026 50.978 52.037 -0.056 0.000 0.839 431 A CB -0.261 18.726 19.000 -0.022 0.000 1.192 431 A HN -0.089 nan 8.150 nan 0.000 0.496 432 P HA 0.250 nan 4.420 nan 0.000 0.275 432 P C -0.075 177.122 177.300 -0.171 0.000 1.228 432 P CA 0.104 63.158 63.100 -0.075 0.000 0.786 432 P CB 1.494 33.157 31.700 -0.061 0.000 0.927 433 V N 5.228 125.070 119.914 -0.120 0.000 2.432 433 V HA 0.204 4.325 4.120 0.001 0.000 0.271 433 V C 1.598 177.561 176.094 -0.219 0.000 1.046 433 V CA 0.208 62.411 62.300 -0.163 0.000 0.945 433 V CB 0.251 32.036 31.823 -0.062 0.000 0.992 433 V HN 0.574 nan 8.190 nan 0.000 0.471 434 R N 3.663 123.934 120.500 -0.381 0.000 2.549 434 R HA 0.252 4.593 4.340 0.001 0.000 0.361 434 R C 0.113 176.175 176.300 -0.397 0.000 0.969 434 R CA -0.087 55.580 56.100 -0.722 0.000 1.158 434 R CB 0.952 30.616 30.300 -1.059 0.000 1.456 434 R HN 0.951 nan 8.270 nan 0.000 0.540 435 Q N -2.069 117.506 119.800 -0.375 0.000 2.854 435 Q HA 0.461 4.801 4.340 0.001 0.000 0.328 435 Q C -1.229 174.345 176.000 -0.709 0.000 0.808 435 Q CA -0.841 54.550 55.803 -0.687 0.000 0.817 435 Q CB 1.310 29.629 28.738 -0.699 0.000 1.377 435 Q HN -0.078 nan 8.270 nan 0.000 0.497 436 S N -0.666 114.326 115.700 -1.179 0.000 2.794 436 S HA 0.567 5.037 4.470 0.001 0.000 0.299 436 S C -1.297 173.164 174.600 -0.231 0.000 1.179 436 S CA -0.272 57.632 58.200 -0.494 0.000 0.838 436 S CB 1.207 64.298 63.200 -0.182 0.000 1.206 436 S HN 0.804 nan 8.310 nan 0.000 0.523 437 N N 0.764 119.469 118.700 0.008 0.000 2.531 437 N HA 0.174 4.914 4.740 0.001 0.000 0.301 437 N C 1.164 176.781 175.510 0.179 0.000 1.310 437 N CA -0.518 52.576 53.050 0.074 0.000 0.949 437 N CB -0.704 37.788 38.487 0.008 0.000 1.111 437 N HN 0.488 nan 8.380 nan 0.000 0.565 438 L N -0.153 121.123 121.223 0.089 0.000 2.043 438 L HA -0.072 4.268 4.340 0.001 0.000 0.212 438 L C 1.507 178.368 176.870 -0.015 0.000 1.075 438 L CA 1.770 56.646 54.840 0.059 0.000 0.752 438 L CB -0.406 41.673 42.059 0.034 0.000 0.891 438 L HN 0.705 nan 8.230 nan 0.000 0.432 439 C N -0.688 118.575 119.300 -0.062 0.000 3.104 439 C HA 0.387 4.847 4.460 0.001 0.000 0.284 439 C C 1.053 175.925 174.990 -0.198 0.000 1.326 439 C CA -0.826 58.077 59.018 -0.191 0.000 1.725 439 C CB -0.530 27.122 27.740 -0.146 0.000 2.156 439 C HN 0.549 nan 8.230 nan 0.000 0.638 440 L N 1.784 122.960 121.223 -0.078 0.000 4.560 440 L HA -0.167 4.173 4.340 0.001 0.000 0.415 440 L C 1.734 178.590 176.870 -0.024 0.000 1.123 440 L CA 1.609 56.431 54.840 -0.029 0.000 0.991 440 L CB -1.750 40.229 42.059 -0.132 0.000 2.127 440 L HN 0.660 nan 8.230 nan 0.000 0.765 441 E N -0.652 119.533 120.200 -0.026 0.000 2.473 441 E HA 0.092 4.442 4.350 0.001 0.000 0.204 441 E C 0.768 177.369 176.600 0.002 0.000 0.994 441 E CA -0.060 56.334 56.400 -0.010 0.000 0.945 441 E CB 0.628 30.320 29.700 -0.012 0.000 0.990 441 E HN 0.409 nan 8.360 nan 0.000 0.493 442 I N 2.206 122.772 120.570 -0.007 0.000 2.385 442 I HA 0.449 4.620 4.170 0.001 0.000 0.294 442 I C -0.167 175.933 176.117 -0.028 0.000 0.988 442 I CA -0.980 60.315 61.300 -0.008 0.000 1.265 442 I CB 1.152 39.141 38.000 -0.019 0.000 1.388 442 I HN 0.093 nan 8.210 nan 0.000 0.480 443 A N 8.273 131.091 122.820 -0.004 0.000 2.651 443 A HA 0.763 5.083 4.320 0.001 0.000 0.290 443 A C -0.933 176.649 177.584 -0.003 0.000 1.185 443 A CA -0.396 51.628 52.037 -0.023 0.000 0.746 443 A CB 0.608 19.616 19.000 0.012 0.000 1.213 443 A HN 0.612 nan 8.150 nan 0.000 0.429 444 L N 1.981 123.139 121.223 -0.109 0.000 2.393 444 L HA 0.580 4.920 4.340 0.001 0.000 0.260 444 L C -2.627 174.040 176.870 -0.338 0.000 1.002 444 L CA -2.505 52.209 54.840 -0.211 0.000 0.818 444 L CB 2.907 44.899 42.059 -0.112 0.000 1.369 444 L HN 0.337 nan 8.230 nan 0.000 0.412 445 P HA 0.246 nan 4.420 nan 0.000 0.271 445 P C -0.968 176.194 177.300 -0.230 0.000 1.218 445 P CA -0.200 62.653 63.100 -0.412 0.000 0.780 445 P CB 0.941 32.325 31.700 -0.526 0.000 0.901 446 T N -1.057 113.390 114.554 -0.178 0.000 2.883 446 T HA 0.715 5.065 4.350 0.001 0.000 0.301 446 T C -1.161 173.493 174.700 -0.077 0.000 1.158 446 T CA -1.005 61.030 62.100 -0.109 0.000 1.007 446 T CB 2.027 70.824 68.868 -0.118 0.000 1.186 446 T HN 0.372 nan 8.240 nan 0.000 0.499 447 K N 1.237 121.616 120.400 -0.035 0.000 2.513 447 K HA 0.594 4.914 4.320 0.001 0.000 0.251 447 K C -3.121 173.478 176.600 -0.002 0.000 0.939 447 K CA -2.092 54.184 56.287 -0.019 0.000 0.793 447 K CB 1.973 34.466 32.500 -0.012 0.000 1.241 447 K HN 0.306 nan 8.250 nan 0.000 0.431 448 P HA -0.032 nan 4.420 nan 0.000 0.265 448 P C -0.726 176.589 177.300 0.025 0.000 1.193 448 P CA -0.218 62.891 63.100 0.015 0.000 0.765 448 P CB 0.401 32.113 31.700 0.021 0.000 0.823 449 L N 3.198 124.440 121.223 0.032 0.000 2.482 449 L HA 0.289 4.630 4.340 0.001 0.000 0.242 449 L C 1.600 178.497 176.870 0.044 0.000 1.210 449 L CA 0.910 55.775 54.840 0.041 0.000 0.819 449 L CB -0.178 41.910 42.059 0.049 0.000 1.203 449 L HN 0.402 nan 8.230 nan 0.000 0.495 450 N N -1.433 117.295 118.700 0.046 0.000 1.952 450 N HA 0.084 4.824 4.740 0.001 0.000 0.228 450 N C -1.375 174.164 175.510 0.049 0.000 1.398 450 N CA 0.066 53.143 53.050 0.046 0.000 0.817 450 N CB 0.851 39.361 38.487 0.038 0.000 1.101 450 N HN 0.624 nan 8.380 nan 0.000 0.498 451 D N -0.775 119.655 120.400 0.050 0.000 2.751 451 D HA 0.003 4.643 4.640 0.001 0.000 0.236 451 D C 1.088 177.418 176.300 0.049 0.000 1.196 451 D CA -0.057 53.972 54.000 0.048 0.000 0.741 451 D CB 1.190 42.015 40.800 0.040 0.000 1.474 451 D HN -0.150 nan 8.370 nan 0.000 0.452 452 V N 1.652 121.595 119.914 0.049 0.000 2.370 452 V HA -0.189 3.932 4.120 0.001 0.000 0.252 452 V C 1.490 177.610 176.094 0.043 0.000 1.068 452 V CA 1.545 63.873 62.300 0.047 0.000 1.061 452 V CB -0.573 31.272 31.823 0.037 0.000 0.656 452 V HN 0.516 nan 8.190 nan 0.000 0.455 453 N N -0.031 118.691 118.700 0.037 0.000 2.268 453 N HA 0.073 4.814 4.740 0.001 0.000 0.204 453 N C 0.322 175.854 175.510 0.036 0.000 1.124 453 N CA 0.087 53.157 53.050 0.033 0.000 0.838 453 N CB -0.140 38.363 38.487 0.025 0.000 0.994 453 N HN 0.553 nan 8.380 nan 0.000 0.489 454 D N 2.057 122.481 120.400 0.040 0.000 2.479 454 D HA -0.082 4.558 4.640 0.001 0.000 0.257 454 D C 1.138 177.464 176.300 0.043 0.000 1.230 454 D CA 0.433 54.457 54.000 0.039 0.000 0.912 454 D CB 0.699 41.524 40.800 0.041 0.000 1.130 454 D HN 0.022 nan 8.370 nan 0.000 0.515 455 E N 3.084 123.308 120.200 0.040 0.000 2.204 455 E HA -0.131 4.220 4.350 0.001 0.000 0.194 455 E C 0.702 177.336 176.600 0.057 0.000 0.989 455 E CA 0.637 57.064 56.400 0.045 0.000 0.824 455 E CB 0.057 29.780 29.700 0.039 0.000 0.756 455 E HN 0.531 nan 8.360 nan 0.000 0.477 456 N N 0.593 119.321 118.700 0.047 0.000 2.322 456 N HA 0.032 4.772 4.740 0.001 0.000 0.194 456 N C 0.679 176.216 175.510 0.045 0.000 1.126 456 N CA 0.227 53.303 53.050 0.043 0.000 0.845 456 N CB 0.427 38.928 38.487 0.023 0.000 0.976 456 N HN -0.003 nan 8.380 nan 0.000 0.475 457 G N 0.170 109.002 108.800 0.053 0.000 2.572 457 G HA2 0.279 4.239 3.960 0.001 0.000 0.261 457 G HA3 0.279 4.239 3.960 0.001 0.000 0.261 457 G C -0.597 174.347 174.900 0.073 0.000 1.197 457 G CA -0.227 44.904 45.100 0.052 0.000 0.870 457 G HN 0.114 nan 8.290 nan 0.000 0.548 458 E N 0.312 120.547 120.200 0.059 0.000 2.302 458 E HA 0.333 4.683 4.350 0.001 0.000 0.263 458 E C -0.990 175.628 176.600 0.029 0.000 0.897 458 E CA -0.506 55.937 56.400 0.072 0.000 0.809 458 E CB 1.318 31.082 29.700 0.106 0.000 1.270 458 E HN 0.343 nan 8.360 nan 0.000 0.410 459 I N 3.177 123.766 120.570 0.032 0.000 2.336 459 I HA 0.390 4.561 4.170 0.001 0.000 0.292 459 I C 0.250 176.356 176.117 -0.019 0.000 0.991 459 I CA -0.554 60.748 61.300 0.003 0.000 1.227 459 I CB 1.635 39.658 38.000 0.038 0.000 1.366 459 I HN 0.532 nan 8.210 nan 0.000 0.466 460 A N 7.982 130.768 122.820 -0.056 0.000 2.366 460 A HA 0.688 5.009 4.320 0.001 0.000 0.272 460 A C -0.523 177.017 177.584 -0.073 0.000 1.135 460 A CA -0.155 51.845 52.037 -0.062 0.000 0.804 460 A CB 0.220 19.167 19.000 -0.089 0.000 1.064 460 A HN 0.679 nan 8.150 nan 0.000 0.499 461 L N 1.498 122.699 121.223 -0.038 0.000 2.333 461 L HA 0.637 4.977 4.340 0.001 0.000 0.269 461 L C -0.270 176.596 176.870 -0.007 0.000 1.010 461 L CA -0.622 54.193 54.840 -0.040 0.000 0.818 461 L CB 2.067 44.144 42.059 0.031 0.000 1.306 461 L HN 0.754 nan 8.230 nan 0.000 0.430 462 C N 0.331 119.625 119.300 -0.011 0.000 2.712 462 C HA 0.765 5.225 4.460 0.001 0.000 0.308 462 C C -0.265 174.736 174.990 0.017 0.000 1.201 462 C CA -0.187 58.838 59.018 0.011 0.000 1.554 462 C CB 1.934 29.680 27.740 0.010 0.000 2.117 462 C HN 0.841 nan 8.230 nan 0.000 0.480 463 T N 5.797 120.363 114.554 0.021 0.000 2.779 463 T HA 0.615 4.966 4.350 0.001 0.000 0.280 463 T C -0.620 174.080 174.700 0.001 0.000 0.987 463 T CA -0.242 61.867 62.100 0.016 0.000 0.966 463 T CB 0.750 69.628 68.868 0.015 0.000 0.933 463 T HN 0.543 nan 8.240 nan 0.000 0.442 464 L N 1.745 122.969 121.223 0.001 0.000 2.319 464 L HA 0.904 5.244 4.340 0.001 0.000 0.267 464 L C 0.219 177.076 176.870 -0.021 0.000 1.011 464 L CA -0.805 54.030 54.840 -0.010 0.000 0.818 464 L CB 2.083 44.145 42.059 0.005 0.000 1.316 464 L HN 0.629 nan 8.230 nan 0.000 0.432 465 S N -0.511 115.156 115.700 -0.055 0.000 2.669 465 S HA 0.850 5.320 4.470 0.001 0.000 0.266 465 S C -1.775 172.731 174.600 -0.156 0.000 1.149 465 S CA -0.297 57.858 58.200 -0.076 0.000 0.842 465 S CB 1.919 65.067 63.200 -0.086 0.000 1.160 465 S HN 0.863 nan 8.310 nan 0.000 0.487 466 A N 0.606 123.308 122.820 -0.197 0.000 2.589 466 A HA 0.781 5.102 4.320 0.001 0.000 0.296 466 A C -1.913 175.515 177.584 -0.260 0.000 1.062 466 A CA -0.609 51.282 52.037 -0.243 0.000 0.686 466 A CB 0.555 19.524 19.000 -0.051 0.000 1.282 466 A HN 0.451 nan 8.150 nan 0.000 0.404 467 F N 1.482 121.436 119.950 0.006 0.000 2.399 467 F HA 0.395 4.923 4.527 0.000 0.000 0.342 467 F C 0.955 176.758 175.800 0.006 0.000 1.106 467 F CA -0.645 57.345 58.000 -0.017 0.000 1.196 467 F CB 0.921 39.880 39.000 -0.068 0.000 1.163 467 F HN 0.579 nan 8.300 nan 0.000 0.547 468 N N 3.497 122.332 118.700 0.225 0.000 2.521 468 N HA 0.155 4.895 4.740 0.001 0.000 0.236 468 N C 0.539 176.140 175.510 0.152 0.000 1.067 468 N CA 0.033 53.190 53.050 0.177 0.000 0.939 468 N CB 0.383 38.973 38.487 0.172 0.000 1.201 468 N HN 0.697 nan 8.380 nan 0.000 0.511 469 L N 1.837 123.134 121.223 0.123 0.000 2.456 469 L HA 0.034 4.374 4.340 0.001 0.000 0.224 469 L C 1.906 178.925 176.870 0.248 0.000 1.148 469 L CA 0.935 55.791 54.840 0.028 0.000 0.825 469 L CB 0.006 41.917 42.059 -0.246 0.000 0.937 469 L HN 0.574 nan 8.230 nan 0.000 0.450 470 G N -1.241 107.760 108.800 0.335 0.000 2.939 470 G HA2 0.153 4.114 3.960 0.001 0.000 0.210 470 G HA3 0.153 4.114 3.960 0.001 0.000 0.210 470 G C 1.340 176.444 174.900 0.340 0.000 1.160 470 G CA 0.583 45.973 45.100 0.484 0.000 0.770 470 G HN 0.381 nan 8.290 nan 0.000 0.543 471 A N 0.319 123.270 122.820 0.218 0.000 2.390 471 A HA 0.540 4.860 4.320 0.001 0.000 0.232 471 A C 0.907 178.539 177.584 0.079 0.000 1.233 471 A CA -0.250 51.873 52.037 0.144 0.000 0.907 471 A CB -0.183 18.897 19.000 0.133 0.000 0.967 471 A HN 0.517 nan 8.150 nan 0.000 0.512 472 I N -3.795 116.824 120.570 0.082 0.000 2.392 472 I HA 0.393 4.564 4.170 0.001 0.000 0.295 472 I C 0.319 176.469 176.117 0.056 0.000 0.985 472 I CA -0.749 60.569 61.300 0.030 0.000 1.221 472 I CB 1.137 39.126 38.000 -0.018 0.000 1.366 472 I HN -0.061 nan 8.210 nan 0.000 0.467 473 N N 3.875 122.585 118.700 0.016 0.000 2.376 473 N HA -0.027 4.713 4.740 0.001 0.000 0.177 473 N C -0.300 175.226 175.510 0.028 0.000 1.024 473 N CA 0.720 53.779 53.050 0.015 0.000 0.893 473 N CB -0.014 38.464 38.487 -0.015 0.000 0.980 473 N HN 0.886 nan 8.380 nan 0.000 0.439 474 N N -1.802 116.909 118.700 0.018 0.000 2.823 474 N HA 0.167 4.908 4.740 0.001 0.000 0.251 474 N C -0.092 175.422 175.510 0.007 0.000 1.392 474 N CA -0.655 52.412 53.050 0.028 0.000 0.864 474 N CB 0.818 39.308 38.487 0.005 0.000 1.481 474 N HN -0.289 nan 8.380 nan 0.000 0.508 475 L N -0.433 120.809 121.223 0.031 0.000 2.362 475 L HA -0.030 4.310 4.340 0.001 0.000 0.219 475 L C 0.653 177.540 176.870 0.028 0.000 1.134 475 L CA 0.946 55.805 54.840 0.033 0.000 0.807 475 L CB -0.332 41.779 42.059 0.087 0.000 0.927 475 L HN 0.672 nan 8.230 nan 0.000 0.447 476 D N -0.286 120.120 120.400 0.009 0.000 2.349 476 D HA -0.085 4.555 4.640 0.001 0.000 0.215 476 D C 1.744 177.884 176.300 -0.268 0.000 1.016 476 D CA 0.424 54.381 54.000 -0.072 0.000 0.870 476 D CB 0.251 41.069 40.800 0.029 0.000 0.917 476 D HN 0.398 nan 8.370 nan 0.000 0.524 477 E N 0.317 120.391 120.200 -0.209 0.000 2.265 477 E HA -0.065 4.285 4.350 0.001 0.000 0.196 477 E C 1.957 178.339 176.600 -0.364 0.000 0.996 477 E CA 0.190 56.445 56.400 -0.242 0.000 0.832 477 E CB 0.101 29.703 29.700 -0.165 0.000 0.756 477 E HN 0.306 nan 8.360 nan 0.000 0.491 478 L N 0.695 121.643 121.223 -0.457 0.000 2.362 478 L HA -0.168 4.172 4.340 0.001 0.000 0.219 478 L C 2.437 178.866 176.870 -0.736 0.000 1.134 478 L CA 0.774 55.252 54.840 -0.602 0.000 0.807 478 L CB -0.252 41.519 42.059 -0.480 0.000 0.927 478 L HN 0.194 nan 8.230 nan 0.000 0.447 479 E N 0.710 120.256 120.200 -1.090 0.000 2.017 479 E HA -0.265 4.086 4.350 0.001 0.000 0.193 479 E C 1.921 178.285 176.600 -0.394 0.000 0.997 479 E CA 1.675 57.498 56.400 -0.962 0.000 0.804 479 E CB 0.150 29.292 29.700 -0.930 0.000 0.757 479 E HN 0.411 nan 8.360 nan 0.000 0.448 480 E N 0.683 120.698 120.200 -0.309 0.000 2.058 480 E HA -0.188 4.162 4.350 0.001 0.000 0.194 480 E C 2.174 178.715 176.600 -0.098 0.000 0.997 480 E CA 1.283 57.583 56.400 -0.167 0.000 0.801 480 E CB -0.214 29.392 29.700 -0.158 0.000 0.746 480 E HN 0.313 nan 8.360 nan 0.000 0.450 481 L N 0.287 121.423 121.223 -0.146 0.000 2.046 481 L HA -0.179 4.161 4.340 0.001 0.000 0.208 481 L C 2.477 179.445 176.870 0.162 0.000 1.077 481 L CA 1.054 55.883 54.840 -0.019 0.000 0.747 481 L CB -0.634 41.350 42.059 -0.124 0.000 0.896 481 L HN 0.176 nan 8.230 nan 0.000 0.432 482 A N 0.616 123.457 122.820 0.035 0.000 1.892 482 A HA -0.246 4.075 4.320 0.001 0.000 0.218 482 A C 2.223 179.898 177.584 0.151 0.000 1.188 482 A CA 1.945 54.094 52.037 0.187 0.000 0.631 482 A CB -0.808 18.228 19.000 0.059 0.000 0.822 482 A HN 0.356 nan 8.150 nan 0.000 0.447 483 I N -0.621 119.998 120.570 0.081 0.000 2.127 483 I HA -0.256 3.914 4.170 0.001 0.000 0.241 483 I C 2.315 178.545 176.117 0.189 0.000 1.075 483 I CA 0.987 62.353 61.300 0.110 0.000 1.334 483 I CB -0.377 37.678 38.000 0.092 0.000 1.040 483 I HN 0.227 nan 8.210 nan 0.000 0.405 484 L N 0.698 122.062 121.223 0.235 0.000 2.012 484 L HA -0.206 4.134 4.340 0.001 0.000 0.210 484 L C 2.784 179.897 176.870 0.404 0.000 1.073 484 L CA 2.350 57.425 54.840 0.391 0.000 0.748 484 L CB -1.908 40.406 42.059 0.424 0.000 0.891 484 L HN 0.259 nan 8.230 nan 0.000 0.431 485 A N -0.924 122.094 122.820 0.330 0.000 1.898 485 A HA -0.123 4.197 4.320 0.001 0.000 0.216 485 A C 2.432 180.075 177.584 0.097 0.000 1.181 485 A CA 1.742 53.925 52.037 0.244 0.000 0.620 485 A CB -0.755 18.342 19.000 0.160 0.000 0.819 485 A HN 0.227 nan 8.150 nan 0.000 0.442 486 V N -0.125 119.841 119.914 0.086 0.000 2.358 486 V HA -0.245 3.875 4.120 0.001 0.000 0.246 486 V C 2.624 178.697 176.094 -0.034 0.000 1.047 486 V CA 2.228 64.539 62.300 0.019 0.000 1.035 486 V CB -0.824 31.014 31.823 0.024 0.000 0.658 486 V HN 0.509 nan 8.190 nan 0.000 0.452 487 R N 0.050 120.540 120.500 -0.018 0.000 2.075 487 R HA -0.057 4.283 4.340 0.001 0.000 0.232 487 R C 2.454 178.520 176.300 -0.390 0.000 1.126 487 R CA 1.383 57.419 56.100 -0.106 0.000 0.963 487 R CB -0.575 29.724 30.300 -0.002 0.000 0.858 487 R HN 0.534 nan 8.270 nan 0.000 0.435 488 A N 1.233 123.767 122.820 -0.475 0.000 1.858 488 A HA -0.132 4.188 4.320 0.001 0.000 0.216 488 A C 2.145 179.435 177.584 -0.490 0.000 1.190 488 A CA 1.192 52.740 52.037 -0.815 0.000 0.617 488 A CB -0.606 17.884 19.000 -0.851 0.000 0.827 488 A HN 0.177 nan 8.150 nan 0.000 0.443 489 L N -0.794 120.273 121.223 -0.259 0.000 2.141 489 L HA -0.173 4.167 4.340 0.001 0.000 0.209 489 L C 2.309 179.092 176.870 -0.145 0.000 1.094 489 L CA 1.681 56.421 54.840 -0.168 0.000 0.763 489 L CB -0.598 41.409 42.059 -0.087 0.000 0.908 489 L HN 0.424 nan 8.230 nan 0.000 0.437 490 D N 0.057 120.369 120.400 -0.147 0.000 2.144 490 D HA -0.130 4.510 4.640 0.001 0.000 0.200 490 D C 2.171 178.402 176.300 -0.114 0.000 0.978 490 D CA 1.166 55.103 54.000 -0.104 0.000 0.833 490 D CB 0.222 40.972 40.800 -0.083 0.000 0.961 490 D HN 0.233 nan 8.370 nan 0.000 0.470 491 A N 0.154 122.852 122.820 -0.203 0.000 1.877 491 A HA -0.113 4.207 4.320 0.001 0.000 0.216 491 A C 2.125 179.629 177.584 -0.133 0.000 1.186 491 A CA 1.232 53.151 52.037 -0.195 0.000 0.620 491 A CB -0.964 17.801 19.000 -0.392 0.000 0.822 491 A HN 0.370 nan 8.150 nan 0.000 0.443 492 L N -0.075 121.027 121.223 -0.202 0.000 2.081 492 L HA -0.190 4.150 4.340 0.001 0.000 0.212 492 L C 2.290 179.186 176.870 0.042 0.000 1.080 492 L CA 1.743 56.506 54.840 -0.129 0.000 0.754 492 L CB -0.487 41.452 42.059 -0.201 0.000 0.893 492 L HN 0.435 nan 8.230 nan 0.000 0.433 493 L N -0.782 120.465 121.223 0.040 0.000 2.042 493 L HA -0.247 4.094 4.340 0.001 0.000 0.210 493 L C 2.129 179.122 176.870 0.205 0.000 1.076 493 L CA 1.576 56.499 54.840 0.139 0.000 0.749 493 L CB -0.820 41.287 42.059 0.080 0.000 0.893 493 L HN 0.318 nan 8.230 nan 0.000 0.432 494 D N -1.536 118.936 120.400 0.120 0.000 2.234 494 D HA -0.176 4.465 4.640 0.001 0.000 0.205 494 D C 1.873 178.259 176.300 0.144 0.000 0.962 494 D CA 0.924 54.994 54.000 0.116 0.000 0.855 494 D CB -0.032 40.796 40.800 0.045 0.000 0.951 494 D HN 0.338 nan 8.370 nan 0.000 0.500 495 Y N 1.879 122.182 120.300 0.005 0.000 2.263 495 Y HA -0.088 4.463 4.550 0.001 0.000 0.292 495 Y C 1.354 177.289 175.900 0.057 0.000 1.130 495 Y CA 0.702 58.795 58.100 -0.012 0.000 1.179 495 Y CB 0.133 38.544 38.460 -0.082 0.000 0.998 495 Y HN -0.046 nan 8.280 nan 0.000 0.532 496 Q N 0.635 120.545 119.800 0.183 0.000 2.316 496 Q HA 0.218 4.558 4.340 0.001 0.000 0.215 496 Q C -0.972 174.929 176.000 -0.166 0.000 1.020 496 Q CA -0.753 55.115 55.803 0.108 0.000 0.970 496 Q CB 0.851 29.681 28.738 0.153 0.000 1.187 496 Q HN 0.115 nan 8.270 nan 0.000 0.546 497 D N -0.375 119.857 120.400 -0.280 0.000 2.326 497 D HA 0.352 4.992 4.640 0.001 0.000 0.251 497 D C -1.299 174.677 176.300 -0.541 0.000 1.023 497 D CA -0.248 53.585 54.000 -0.279 0.000 0.966 497 D CB 0.908 41.614 40.800 -0.156 0.000 1.156 497 D HN 0.453 nan 8.370 nan 0.000 0.494 498 Y N 0.421 120.721 120.300 -0.000 0.000 2.349 498 Y HA 0.228 4.778 4.550 0.001 0.000 0.324 498 Y C -1.361 174.514 175.900 -0.043 0.000 1.005 498 Y CA -1.311 56.802 58.100 0.022 0.000 1.240 498 Y CB 1.880 40.364 38.460 0.040 0.000 1.117 498 Y HN 0.169 nan 8.280 nan 0.000 0.463 499 P HA -0.005 nan 4.420 nan 0.000 0.221 499 P C 0.046 177.303 177.300 -0.073 0.000 1.150 499 P CA 1.214 64.227 63.100 -0.145 0.000 0.800 499 P CB 1.054 32.522 31.700 -0.387 0.000 0.787 500 I N 0.805 121.382 120.570 0.013 0.000 2.382 500 I HA 0.226 4.396 4.170 0.001 0.000 0.286 500 I C -1.667 174.516 176.117 0.109 0.000 1.002 500 I CA -2.960 58.383 61.300 0.072 0.000 1.135 500 I CB 1.171 39.258 38.000 0.144 0.000 1.288 500 I HN -0.276 nan 8.210 nan 0.000 0.448 501 P HA -0.237 nan 4.420 nan 0.000 0.217 501 P C 1.524 178.851 177.300 0.045 0.000 1.158 501 P CA 2.061 65.188 63.100 0.045 0.000 0.887 501 P CB 0.390 32.111 31.700 0.036 0.000 0.792 502 A N -0.788 122.074 122.820 0.069 0.000 2.019 502 A HA -0.057 4.263 4.320 0.001 0.000 0.219 502 A C 2.254 179.879 177.584 0.069 0.000 1.164 502 A CA 1.894 53.973 52.037 0.071 0.000 0.644 502 A CB -1.345 17.700 19.000 0.076 0.000 0.805 502 A HN 0.233 nan 8.150 nan 0.000 0.449 503 A N -0.328 122.562 122.820 0.117 0.000 1.930 503 A HA -0.024 4.297 4.320 0.001 0.000 0.215 503 A C 2.074 179.667 177.584 0.014 0.000 1.176 503 A CA 1.594 53.718 52.037 0.145 0.000 0.632 503 A CB -0.334 18.877 19.000 0.351 0.000 0.819 503 A HN 0.512 nan 8.150 nan 0.000 0.445 504 K N -0.312 120.023 120.400 -0.109 0.000 2.057 504 K HA -0.133 4.188 4.320 0.001 0.000 0.207 504 K C 2.277 178.642 176.600 -0.391 0.000 1.049 504 K CA 1.084 57.041 56.287 -0.550 0.000 0.931 504 K CB -0.186 32.068 32.500 -0.411 0.000 0.714 504 K HN 0.317 nan 8.250 nan 0.000 0.440 505 R N -0.229 120.157 120.500 -0.190 0.000 2.096 505 R HA -0.134 4.207 4.340 0.001 0.000 0.240 505 R C 2.397 178.520 176.300 -0.296 0.000 1.139 505 R CA 1.701 57.706 56.100 -0.158 0.000 0.952 505 R CB -0.759 29.575 30.300 0.056 0.000 0.854 505 R HN 0.423 nan 8.270 nan 0.000 0.436 506 G N 0.475 109.185 108.800 -0.151 0.000 2.433 506 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 506 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 506 G C 1.560 176.326 174.900 -0.223 0.000 1.186 506 G CA 0.961 45.977 45.100 -0.139 0.000 0.779 506 G HN 0.444 nan 8.290 nan 0.000 0.543 507 A N 0.065 122.767 122.820 -0.198 0.000 1.930 507 A HA 0.091 4.411 4.320 0.001 0.000 0.217 507 A C 2.362 179.796 177.584 -0.250 0.000 1.175 507 A CA 1.887 53.830 52.037 -0.156 0.000 0.627 507 A CB -0.262 18.711 19.000 -0.045 0.000 0.815 507 A HN 0.304 nan 8.150 nan 0.000 0.443 508 M N -0.642 118.730 119.600 -0.381 0.000 2.419 508 M HA 0.032 4.513 4.480 0.001 0.000 0.264 508 M C 2.115 178.124 176.300 -0.485 0.000 1.082 508 M CA 1.031 56.113 55.300 -0.364 0.000 1.119 508 M CB -1.465 30.927 32.600 -0.345 0.000 1.398 508 M HN 0.456 nan 8.290 nan 0.000 0.453 509 G N 0.232 108.550 108.800 -0.805 0.000 2.453 509 G HA2 -0.087 3.873 3.960 0.001 0.000 0.215 509 G HA3 -0.087 3.873 3.960 0.001 0.000 0.215 509 G C 1.730 176.192 174.900 -0.729 0.000 1.147 509 G CA 0.045 44.266 45.100 -1.466 0.000 0.802 509 G HN 0.467 nan 8.290 nan 0.000 0.535 510 R N -0.958 119.334 120.500 -0.347 0.000 2.469 510 R HA 0.263 4.603 4.340 0.001 0.000 0.250 510 R C 0.345 176.658 176.300 0.022 0.000 0.909 510 R CA -0.499 55.606 56.100 0.008 0.000 1.050 510 R CB 0.444 30.864 30.300 0.200 0.000 1.256 510 R HN 0.079 nan 8.270 nan 0.000 0.550 511 R N 2.286 122.750 120.500 -0.059 0.000 3.225 511 R HA -0.123 4.217 4.340 0.001 0.000 0.245 511 R C -0.655 175.657 176.300 0.019 0.000 0.928 511 R CA 1.113 57.195 56.100 -0.029 0.000 0.632 511 R CB -2.185 28.089 30.300 -0.044 0.000 1.038 511 R HN 0.391 nan 8.270 nan 0.000 0.461 512 T N -1.074 113.510 114.554 0.049 0.000 2.832 512 T HA 0.580 4.930 4.350 0.001 0.000 0.296 512 T C 0.734 175.465 174.700 0.051 0.000 0.968 512 T CA -0.748 61.402 62.100 0.085 0.000 1.107 512 T CB 1.538 70.490 68.868 0.141 0.000 0.916 512 T HN 0.229 nan 8.240 nan 0.000 0.517 513 L N 2.041 123.289 121.223 0.042 0.000 2.319 513 L HA 0.816 5.157 4.340 0.001 0.000 0.267 513 L C 0.604 177.489 176.870 0.026 0.000 1.011 513 L CA -1.315 53.536 54.840 0.019 0.000 0.818 513 L CB 2.142 44.199 42.059 -0.002 0.000 1.316 513 L HN 0.941 nan 8.230 nan 0.000 0.432 514 G N 2.060 110.864 108.800 0.007 0.000 3.171 514 G HA2 0.607 4.567 3.960 0.001 0.000 0.305 514 G HA3 0.607 4.567 3.960 0.001 0.000 0.305 514 G C -1.014 173.869 174.900 -0.030 0.000 1.584 514 G CA -0.154 44.950 45.100 0.007 0.000 1.070 514 G HN 0.345 nan 8.290 nan 0.000 0.535 515 I N 2.206 122.743 120.570 -0.055 0.000 2.359 515 I HA 0.635 4.805 4.170 0.001 0.000 0.294 515 I C 0.977 177.017 176.117 -0.127 0.000 0.987 515 I CA -0.298 60.904 61.300 -0.164 0.000 1.225 515 I CB 2.067 39.901 38.000 -0.277 0.000 1.366 515 I HN 0.464 nan 8.210 nan 0.000 0.466 516 G N 4.853 113.566 108.800 -0.145 0.000 3.212 516 G HA2 0.775 4.735 3.960 0.001 0.000 0.188 516 G HA3 0.775 4.735 3.960 0.001 0.000 0.188 516 G C -0.871 174.008 174.900 -0.035 0.000 1.254 516 G CA -0.383 44.698 45.100 -0.031 0.000 0.957 516 G HN 0.550 nan 8.290 nan 0.000 0.596 517 V N -1.502 118.449 119.914 0.061 0.000 3.078 517 V HA 0.861 4.981 4.120 0.001 0.000 0.311 517 V C -0.480 175.691 176.094 0.128 0.000 1.138 517 V CA -1.011 61.346 62.300 0.095 0.000 1.007 517 V CB 1.597 33.477 31.823 0.095 0.000 1.045 517 V HN 1.136 nan 8.190 nan 0.000 0.432 518 I N -0.348 120.314 120.570 0.152 0.000 3.002 518 I HA 0.736 4.906 4.170 0.001 0.000 0.310 518 I C 0.307 176.571 176.117 0.245 0.000 1.087 518 I CA -0.751 60.662 61.300 0.189 0.000 1.017 518 I CB 2.178 40.269 38.000 0.151 0.000 1.226 518 I HN 0.777 nan 8.210 nan 0.000 0.443 519 N N 0.743 119.619 118.700 0.293 0.000 2.829 519 N HA -0.244 4.496 4.740 0.001 0.000 0.250 519 N C 0.093 175.872 175.510 0.448 0.000 1.090 519 N CA 1.042 54.313 53.050 0.369 0.000 0.781 519 N CB -1.183 37.519 38.487 0.359 0.000 1.124 519 N HN 0.863 nan 8.380 nan 0.000 0.559 520 F N 0.913 121.035 119.950 0.287 0.000 2.102 520 F HA 0.039 4.566 4.527 0.001 0.000 0.298 520 F C 2.188 178.202 175.800 0.357 0.000 1.105 520 F CA 2.143 60.315 58.000 0.287 0.000 1.239 520 F CB -0.701 38.467 39.000 0.280 0.000 0.991 520 F HN 0.180 nan 8.300 nan 0.000 0.474 521 A N -0.436 122.614 122.820 0.384 0.000 1.917 521 A HA -0.294 4.027 4.320 0.001 0.000 0.219 521 A C 2.182 179.912 177.584 0.244 0.000 1.182 521 A CA 1.962 54.219 52.037 0.366 0.000 0.633 521 A CB -1.777 17.566 19.000 0.571 0.000 0.819 521 A HN 0.644 nan 8.150 nan 0.000 0.448 522 Y N -1.310 119.128 120.300 0.229 0.000 2.163 522 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 522 Y C 2.171 178.094 175.900 0.039 0.000 1.136 522 Y CA 1.732 59.897 58.100 0.108 0.000 1.147 522 Y CB -0.967 37.638 38.460 0.242 0.000 0.987 522 Y HN 0.409 nan 8.280 nan 0.000 0.509 523 Y N 0.608 120.792 120.300 -0.194 0.000 2.002 523 Y HA -0.384 4.166 4.550 0.001 0.000 0.268 523 Y C 2.384 178.160 175.900 -0.208 0.000 1.177 523 Y CA 2.503 60.485 58.100 -0.197 0.000 1.111 523 Y CB -0.863 37.591 38.460 -0.010 0.000 0.952 523 Y HN 0.208 nan 8.280 nan 0.000 0.491 524 L N -0.603 120.467 121.223 -0.254 0.000 2.013 524 L HA -0.330 4.010 4.340 0.001 0.000 0.212 524 L C 2.765 179.447 176.870 -0.314 0.000 1.073 524 L CA 1.456 56.064 54.840 -0.388 0.000 0.753 524 L CB -1.250 40.475 42.059 -0.557 0.000 0.890 524 L HN 0.456 nan 8.230 nan 0.000 0.432 525 A N 1.115 123.735 122.820 -0.333 0.000 1.865 525 A HA -0.248 4.072 4.320 0.001 0.000 0.217 525 A C 2.224 179.570 177.584 -0.395 0.000 1.191 525 A CA 2.159 53.963 52.037 -0.388 0.000 0.623 525 A CB -0.550 18.036 19.000 -0.691 0.000 0.826 525 A HN 0.561 nan 8.150 nan 0.000 0.444 526 K N -1.047 119.038 120.400 -0.525 0.000 2.504 526 K HA -0.112 4.208 4.320 0.001 0.000 0.195 526 K C 0.639 176.880 176.600 -0.598 0.000 1.036 526 K CA 1.541 57.501 56.287 -0.545 0.000 0.984 526 K CB -0.380 31.717 32.500 -0.671 0.000 0.788 526 K HN 0.622 nan 8.250 nan 0.000 0.488 527 H N 0.203 119.020 119.070 -0.421 0.000 2.517 527 H HA 0.217 4.773 4.556 0.001 0.000 0.282 527 H C 0.569 175.746 175.328 -0.253 0.000 1.023 527 H CA 0.432 56.269 56.048 -0.350 0.000 1.169 527 H CB 0.925 30.418 29.762 -0.449 0.000 1.454 527 H HN 0.510 nan 8.280 nan 0.000 0.556 528 G N 1.374 110.073 108.800 -0.169 0.000 2.273 528 G HA2 -0.286 3.675 3.960 0.001 0.000 0.280 528 G HA3 -0.286 3.675 3.960 0.001 0.000 0.280 528 G C -0.070 174.771 174.900 -0.097 0.000 1.047 528 G CA 0.097 45.120 45.100 -0.127 0.000 0.869 528 G HN 0.213 nan 8.290 nan 0.000 0.502 529 K N -0.546 119.783 120.400 -0.119 0.000 2.306 529 K HA 0.746 5.066 4.320 0.001 0.000 0.236 529 K C 0.605 177.156 176.600 -0.083 0.000 1.013 529 K CA -0.740 55.486 56.287 -0.102 0.000 0.857 529 K CB 1.608 34.027 32.500 -0.135 0.000 1.214 529 K HN 0.374 nan 8.250 nan 0.000 0.449 530 R N -0.037 120.439 120.500 -0.041 0.000 2.888 530 R HA 0.333 4.673 4.340 0.001 0.000 0.264 530 R C 0.678 177.010 176.300 0.054 0.000 1.045 530 R CA -0.770 55.359 56.100 0.048 0.000 0.962 530 R CB 0.372 30.730 30.300 0.097 0.000 1.210 530 R HN 0.503 nan 8.270 nan 0.000 0.479 531 Y N 0.611 120.952 120.300 0.069 0.000 2.206 531 Y HA -0.161 4.390 4.550 0.001 0.000 0.292 531 Y C 2.625 178.594 175.900 0.115 0.000 1.123 531 Y CA 2.118 60.294 58.100 0.127 0.000 1.142 531 Y CB 0.115 38.687 38.460 0.187 0.000 1.006 531 Y HN 0.653 nan 8.280 nan 0.000 0.518 532 S N -0.723 115.141 115.700 0.273 0.000 2.527 532 S HA -0.069 4.402 4.470 0.001 0.000 0.222 532 S C 0.794 175.476 174.600 0.136 0.000 0.985 532 S CA 0.955 59.272 58.200 0.195 0.000 0.921 532 S CB -0.248 63.040 63.200 0.146 0.000 0.772 532 S HN 0.576 nan 8.310 nan 0.000 0.529 533 D N -1.055 119.410 120.400 0.109 0.000 2.563 533 D HA 0.273 4.914 4.640 0.001 0.000 0.237 533 D C 1.185 177.515 176.300 0.049 0.000 1.282 533 D CA 0.217 54.261 54.000 0.074 0.000 0.816 533 D CB -0.333 40.504 40.800 0.061 0.000 1.066 533 D HN 0.433 nan 8.370 nan 0.000 0.501 534 G N 0.950 109.776 108.800 0.044 0.000 2.189 534 G HA2 -0.391 3.569 3.960 0.001 0.000 0.267 534 G HA3 -0.391 3.569 3.960 0.001 0.000 0.267 534 G C 1.213 176.113 174.900 0.000 0.000 0.975 534 G CA 0.941 46.048 45.100 0.012 0.000 0.644 534 G HN 0.711 nan 8.290 nan 0.000 0.537 535 S N -0.853 114.849 115.700 0.004 0.000 2.481 535 S HA 0.419 4.890 4.470 0.001 0.000 0.231 535 S C 2.101 176.686 174.600 -0.026 0.000 0.996 535 S CA 1.263 59.456 58.200 -0.011 0.000 0.942 535 S CB 0.119 63.313 63.200 -0.010 0.000 0.768 535 S HN 1.676 nan 8.310 nan 0.000 0.520 536 A N 1.030 123.834 122.820 -0.027 0.000 2.390 536 A HA 0.360 4.681 4.320 0.001 0.000 0.232 536 A C 1.624 179.221 177.584 0.022 0.000 1.233 536 A CA -0.133 51.885 52.037 -0.032 0.000 0.907 536 A CB -0.290 18.653 19.000 -0.095 0.000 0.967 536 A HN 0.384 nan 8.150 nan 0.000 0.512 537 N N 1.710 120.414 118.700 0.007 0.000 2.036 537 N HA -0.175 4.565 4.740 0.001 0.000 0.195 537 N C 1.352 176.896 175.510 0.056 0.000 1.037 537 N CA 1.871 54.926 53.050 0.008 0.000 0.855 537 N CB -0.285 38.178 38.487 -0.040 0.000 1.033 537 N HN 0.447 nan 8.380 nan 0.000 0.423 538 N N 0.302 119.024 118.700 0.036 0.000 2.171 538 N HA -0.063 4.677 4.740 0.001 0.000 0.184 538 N C 1.715 177.300 175.510 0.124 0.000 1.021 538 N CA 0.272 53.356 53.050 0.057 0.000 0.854 538 N CB -0.525 37.965 38.487 0.006 0.000 0.994 538 N HN 0.160 nan 8.380 nan 0.000 0.426 539 L N 1.400 122.673 121.223 0.083 0.000 2.012 539 L HA -0.130 4.210 4.340 0.001 0.000 0.210 539 L C 1.877 178.888 176.870 0.234 0.000 1.073 539 L CA 1.796 56.690 54.840 0.089 0.000 0.748 539 L CB -1.271 40.775 42.059 -0.021 0.000 0.891 539 L HN 0.102 nan 8.230 nan 0.000 0.431 540 T N -1.248 113.477 114.554 0.285 0.000 2.720 540 T HA -0.249 4.102 4.350 0.001 0.000 0.268 540 T C 1.844 176.776 174.700 0.387 0.000 1.037 540 T CA 1.615 63.962 62.100 0.412 0.000 1.144 540 T CB -0.554 68.480 68.868 0.277 0.000 0.864 540 T HN 0.523 nan 8.240 nan 0.000 0.444 541 H N 1.453 120.642 119.070 0.199 0.000 2.293 541 H HA -0.005 4.551 4.556 0.001 0.000 0.300 541 H C 2.491 177.919 175.328 0.167 0.000 1.082 541 H CA 1.692 57.874 56.048 0.223 0.000 1.308 541 H CB -0.192 29.654 29.762 0.141 0.000 1.375 541 H HN 0.248 nan 8.280 nan 0.000 0.495 542 K N -0.401 120.192 120.400 0.322 0.000 2.089 542 K HA -0.142 4.178 4.320 0.001 0.000 0.210 542 K C 2.070 178.735 176.600 0.108 0.000 1.048 542 K CA 2.073 58.508 56.287 0.246 0.000 0.926 542 K CB 0.024 32.636 32.500 0.187 0.000 0.714 542 K HN 0.306 nan 8.250 nan 0.000 0.448 543 T N -0.084 114.535 114.554 0.109 0.000 2.851 543 T HA -0.041 4.309 4.350 0.001 0.000 0.262 543 T C 1.513 176.060 174.700 -0.255 0.000 1.043 543 T CA 1.118 63.196 62.100 -0.038 0.000 1.140 543 T CB -0.195 68.674 68.868 0.001 0.000 0.872 543 T HN 0.152 nan 8.240 nan 0.000 0.446 544 F N 1.224 121.053 119.950 -0.201 0.000 2.512 544 F HA 0.180 4.707 4.527 0.000 0.000 0.296 544 F C 2.440 177.782 175.800 -0.763 0.000 1.110 544 F CA 0.288 58.119 58.000 -0.282 0.000 1.446 544 F CB -0.073 38.872 39.000 -0.091 0.000 1.092 544 F HN 0.145 nan 8.300 nan 0.000 0.554 545 E N 0.871 120.404 120.200 -1.112 0.000 2.017 545 E HA -0.253 4.098 4.350 0.001 0.000 0.193 545 E C 2.451 178.890 176.600 -0.268 0.000 0.997 545 E CA 1.213 56.928 56.400 -1.142 0.000 0.804 545 E CB -0.191 29.176 29.700 -0.555 0.000 0.757 545 E HN 0.305 nan 8.360 nan 0.000 0.448 546 A N 1.170 123.917 122.820 -0.121 0.000 1.927 546 A HA -0.225 4.095 4.320 0.001 0.000 0.220 546 A C 2.204 179.698 177.584 -0.149 0.000 1.185 546 A CA 1.760 53.729 52.037 -0.113 0.000 0.639 546 A CB -0.749 18.297 19.000 0.076 0.000 0.820 546 A HN 0.340 nan 8.150 nan 0.000 0.451 547 I N -1.368 119.103 120.570 -0.165 0.000 2.133 547 I HA -0.261 3.909 4.170 0.001 0.000 0.238 547 I C 2.769 178.902 176.117 0.027 0.000 1.074 547 I CA 1.806 63.050 61.300 -0.093 0.000 1.342 547 I CB -0.338 37.577 38.000 -0.140 0.000 1.053 547 I HN 0.355 nan 8.210 nan 0.000 0.404 548 Q N 0.196 120.044 119.800 0.079 0.000 2.124 548 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 548 Q C 2.006 178.043 176.000 0.062 0.000 0.977 548 Q CA 1.825 57.752 55.803 0.207 0.000 0.850 548 Q CB -0.538 28.490 28.738 0.483 0.000 0.901 548 Q HN 0.556 nan 8.270 nan 0.000 0.429 549 Y N -0.552 119.585 120.300 -0.273 0.000 2.070 549 Y HA -0.303 4.247 4.550 0.001 0.000 0.279 549 Y C 1.660 177.210 175.900 -0.583 0.000 1.134 549 Y CA 2.120 59.772 58.100 -0.746 0.000 1.113 549 Y CB -0.723 37.036 38.460 -1.169 0.000 0.981 549 Y HN 0.167 nan 8.280 nan 0.000 0.487 550 Y N 0.238 120.306 120.300 -0.385 0.000 2.193 550 Y HA -0.275 4.275 4.550 0.000 0.000 0.285 550 Y C 2.529 178.264 175.900 -0.275 0.000 1.166 550 Y CA 1.547 59.420 58.100 -0.379 0.000 1.181 550 Y CB -0.929 37.363 38.460 -0.281 0.000 0.976 550 Y HN 0.215 nan 8.280 nan 0.000 0.520 551 L N -1.023 120.188 121.223 -0.019 0.000 2.017 551 L HA -0.252 4.088 4.340 0.001 0.000 0.208 551 L C 2.332 179.145 176.870 -0.095 0.000 1.073 551 L CA 1.247 56.099 54.840 0.020 0.000 0.745 551 L CB -0.687 41.434 42.059 0.104 0.000 0.894 551 L HN 0.254 nan 8.230 nan 0.000 0.432 552 L N -0.239 120.877 121.223 -0.179 0.000 2.046 552 L HA -0.273 4.067 4.340 0.001 0.000 0.208 552 L C 2.671 179.358 176.870 -0.305 0.000 1.077 552 L CA 1.436 56.127 54.840 -0.248 0.000 0.747 552 L CB -0.467 41.446 42.059 -0.242 0.000 0.896 552 L HN 0.261 nan 8.230 nan 0.000 0.432 553 K N 0.243 120.378 120.400 -0.441 0.000 2.032 553 K HA -0.206 4.114 4.320 0.001 0.000 0.209 553 K C 2.090 178.558 176.600 -0.219 0.000 1.048 553 K CA 1.564 57.601 56.287 -0.417 0.000 0.927 553 K CB -0.143 32.001 32.500 -0.594 0.000 0.712 553 K HN 0.273 nan 8.250 nan 0.000 0.441 554 A N -0.107 122.625 122.820 -0.145 0.000 1.930 554 A HA -0.129 4.191 4.320 0.001 0.000 0.217 554 A C 2.198 179.735 177.584 -0.078 0.000 1.175 554 A CA 2.013 54.008 52.037 -0.071 0.000 0.627 554 A CB -0.777 18.216 19.000 -0.013 0.000 0.815 554 A HN 0.398 nan 8.150 nan 0.000 0.443 555 S N -0.539 115.096 115.700 -0.108 0.000 2.406 555 S HA -0.138 4.332 4.470 0.001 0.000 0.228 555 S C 1.992 176.500 174.600 -0.153 0.000 1.020 555 S CA 1.162 59.291 58.200 -0.119 0.000 0.965 555 S CB -0.589 62.530 63.200 -0.134 0.000 0.798 555 S HN 0.747 nan 8.310 nan 0.000 0.488 556 N N 0.221 118.814 118.700 -0.178 0.000 2.084 556 N HA -0.130 4.610 4.740 0.001 0.000 0.190 556 N C 1.502 176.913 175.510 -0.165 0.000 1.030 556 N CA 1.233 54.173 53.050 -0.182 0.000 0.849 556 N CB -0.057 38.321 38.487 -0.182 0.000 1.012 556 N HN 0.365 nan 8.380 nan 0.000 0.423 557 E N 0.953 121.065 120.200 -0.146 0.000 2.110 557 E HA -0.182 4.169 4.350 0.001 0.000 0.193 557 E C 2.005 178.548 176.600 -0.096 0.000 0.988 557 E CA 0.531 56.856 56.400 -0.124 0.000 0.804 557 E CB -0.377 29.275 29.700 -0.081 0.000 0.745 557 E HN 0.361 nan 8.360 nan 0.000 0.458 558 L N 0.835 122.009 121.223 -0.082 0.000 2.141 558 L HA -0.024 4.317 4.340 0.001 0.000 0.209 558 L C 2.153 178.969 176.870 -0.091 0.000 1.094 558 L CA 1.672 56.472 54.840 -0.066 0.000 0.763 558 L CB -0.624 41.403 42.059 -0.052 0.000 0.908 558 L HN 0.022 nan 8.230 nan 0.000 0.437 559 A N -0.647 122.101 122.820 -0.120 0.000 1.930 559 A HA -0.199 4.121 4.320 0.001 0.000 0.217 559 A C 2.279 179.809 177.584 -0.091 0.000 1.175 559 A CA 1.701 53.660 52.037 -0.129 0.000 0.627 559 A CB -0.398 18.485 19.000 -0.195 0.000 0.815 559 A HN 0.482 nan 8.150 nan 0.000 0.443 560 K N -0.417 119.925 120.400 -0.097 0.000 1.978 560 K HA -0.198 4.123 4.320 0.001 0.000 0.214 560 K C 2.110 178.671 176.600 -0.064 0.000 1.049 560 K CA 1.639 57.877 56.287 -0.081 0.000 0.939 560 K CB -0.288 32.110 32.500 -0.171 0.000 0.721 560 K HN 0.589 nan 8.250 nan 0.000 0.441 561 E N 0.583 120.740 120.200 -0.073 0.000 2.086 561 E HA -0.247 4.103 4.350 0.001 0.000 0.200 561 E C 1.485 178.037 176.600 -0.080 0.000 1.012 561 E CA 1.650 58.008 56.400 -0.069 0.000 0.812 561 E CB 0.191 29.852 29.700 -0.064 0.000 0.743 561 E HN 0.342 nan 8.360 nan 0.000 0.453 562 Q N -1.827 117.922 119.800 -0.084 0.000 2.113 562 Q HA 0.254 4.595 4.340 0.001 0.000 0.225 562 Q C -0.337 175.619 176.000 -0.073 0.000 0.786 562 Q CA 0.224 55.973 55.803 -0.089 0.000 0.989 562 Q CB 2.305 30.976 28.738 -0.112 0.000 1.174 562 Q HN 0.246 nan 8.270 nan 0.000 0.470 563 G N 1.363 110.122 108.800 -0.069 0.000 2.784 563 G HA2 0.072 4.032 3.960 0.001 0.000 0.686 563 G HA3 0.072 4.032 3.960 0.001 0.000 0.686 563 G C -0.421 174.427 174.900 -0.087 0.000 1.156 563 G CA -0.585 44.477 45.100 -0.063 0.000 0.757 563 G HN 0.299 nan 8.290 nan 0.000 0.642 564 A N 1.123 123.878 122.820 -0.109 0.000 2.429 564 A HA 0.600 4.920 4.320 0.001 0.000 0.242 564 A C 1.662 179.215 177.584 -0.052 0.000 1.088 564 A CA 0.612 52.552 52.037 -0.163 0.000 0.784 564 A CB -0.273 18.547 19.000 -0.300 0.000 1.038 564 A HN 2.553 nan 8.150 nan 0.000 0.501 565 C N 0.126 119.421 119.300 -0.007 0.000 2.662 565 C HA 0.406 4.867 4.460 0.001 0.000 0.420 565 C C -1.078 173.969 174.990 0.095 0.000 1.314 565 C CA -1.065 57.967 59.018 0.024 0.000 1.963 565 C CB -0.190 27.572 27.740 0.036 0.000 2.686 565 C HN 0.686 nan 8.230 nan 0.000 0.609 566 P HA -0.131 nan 4.420 nan 0.000 0.218 566 P C 0.665 178.194 177.300 0.382 0.000 1.154 566 P CA 1.945 65.117 63.100 0.119 0.000 0.872 566 P CB -0.085 31.592 31.700 -0.039 0.000 0.790 567 W N -2.275 119.093 121.300 0.114 0.000 3.269 567 W HA 0.330 4.991 4.660 0.000 0.000 0.413 567 W C 1.345 177.957 176.519 0.156 0.000 1.057 567 W CA -1.434 55.981 57.345 0.118 0.000 1.953 567 W CB -1.848 27.671 29.460 0.098 0.000 1.053 567 W HN -0.069 nan 8.180 nan 0.000 0.753 568 F N 3.406 123.491 119.950 0.225 0.000 2.154 568 F HA -0.348 4.179 4.527 0.000 0.000 0.301 568 F C 2.122 178.008 175.800 0.143 0.000 1.087 568 F CA 2.281 60.369 58.000 0.147 0.000 1.274 568 F CB -0.422 38.629 39.000 0.085 0.000 1.009 568 F HN -0.023 nan 8.300 nan 0.000 0.485 569 N N 0.682 119.417 118.700 0.059 0.000 2.417 569 N HA -0.244 4.497 4.740 0.001 0.000 0.187 569 N C 1.098 176.559 175.510 -0.082 0.000 1.027 569 N CA 1.728 54.748 53.050 -0.049 0.000 0.891 569 N CB -0.954 37.564 38.487 0.051 0.000 0.956 569 N HN 0.576 nan 8.380 nan 0.000 0.442 570 E N 0.615 120.810 120.200 -0.007 0.000 2.481 570 E HA -0.025 4.325 4.350 0.001 0.000 0.195 570 E C 0.510 177.122 176.600 0.020 0.000 1.047 570 E CA 0.404 56.827 56.400 0.038 0.000 0.867 570 E CB 0.032 29.809 29.700 0.128 0.000 0.858 570 E HN 0.528 nan 8.360 nan 0.000 0.513 571 T N -0.688 113.772 114.554 -0.156 0.000 2.904 571 T HA 0.081 4.432 4.350 0.001 0.000 0.290 571 T C 1.513 176.069 174.700 -0.240 0.000 1.018 571 T CA -0.133 61.821 62.100 -0.244 0.000 1.075 571 T CB 1.579 70.253 68.868 -0.324 0.000 0.986 571 T HN 0.015 nan 8.240 nan 0.000 0.523 572 T N -0.718 113.705 114.554 -0.219 0.000 2.915 572 T HA -0.115 4.235 4.350 0.001 0.000 0.269 572 T C 1.432 176.007 174.700 -0.208 0.000 1.071 572 T CA 0.743 62.719 62.100 -0.207 0.000 1.132 572 T CB -0.879 67.852 68.868 -0.229 0.000 0.878 572 T HN 0.655 nan 8.240 nan 0.000 0.479 573 Y N 2.340 122.535 120.300 -0.176 0.000 2.128 573 Y HA 0.060 4.610 4.550 0.000 0.000 0.284 573 Y C 3.079 178.934 175.900 -0.076 0.000 1.154 573 Y CA 0.762 58.829 58.100 -0.055 0.000 1.149 573 Y CB -1.101 37.405 38.460 0.076 0.000 0.976 573 Y HN 0.321 nan 8.280 nan 0.000 0.505 574 A N -0.123 122.463 122.820 -0.390 0.000 2.042 574 A HA -0.238 4.082 4.320 0.001 0.000 0.222 574 A C 1.960 179.530 177.584 -0.022 0.000 1.167 574 A CA 1.888 53.703 52.037 -0.371 0.000 0.649 574 A CB -0.527 18.068 19.000 -0.674 0.000 0.809 574 A HN 0.448 nan 8.150 nan 0.000 0.457 575 K N -1.815 118.561 120.400 -0.041 0.000 2.387 575 K HA 0.271 4.591 4.320 0.001 0.000 0.198 575 K C 0.959 177.578 176.600 0.032 0.000 1.022 575 K CA 0.420 56.704 56.287 -0.005 0.000 1.128 575 K CB 0.049 32.527 32.500 -0.037 0.000 0.853 575 K HN 0.627 nan 8.250 nan 0.000 0.523 576 G N 1.882 110.730 108.800 0.080 0.000 2.162 576 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 576 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 576 G C 0.123 175.063 174.900 0.067 0.000 0.976 576 G CA -0.038 45.122 45.100 0.100 0.000 0.655 576 G HN 0.273 nan 8.290 nan 0.000 0.533 577 I N 1.005 121.578 120.570 0.004 0.000 2.342 577 I HA 0.512 4.682 4.170 0.001 0.000 0.291 577 I C 0.709 176.740 176.117 -0.143 0.000 1.010 577 I CA -0.584 60.683 61.300 -0.056 0.000 1.308 577 I CB 1.007 38.950 38.000 -0.096 0.000 1.400 577 I HN -0.020 nan 8.210 nan 0.000 0.488 578 L N 7.735 128.920 121.223 -0.063 0.000 2.319 578 L HA 0.472 4.812 4.340 0.001 0.000 0.267 578 L C -1.446 175.389 176.870 -0.058 0.000 1.011 578 L CA -1.651 53.164 54.840 -0.041 0.000 0.818 578 L CB 1.566 43.764 42.059 0.231 0.000 1.316 578 L HN 0.312 nan 8.230 nan 0.000 0.432 579 P HA -0.218 nan 4.420 nan 0.000 0.216 579 P C 1.344 178.666 177.300 0.036 0.000 1.154 579 P CA 1.729 64.859 63.100 0.050 0.000 0.865 579 P CB -0.135 31.609 31.700 0.074 0.000 0.789 580 I N -3.794 116.671 120.570 -0.176 0.000 3.241 580 I HA -0.022 4.148 4.170 0.001 0.000 0.280 580 I C 0.819 176.960 176.117 0.040 0.000 1.320 580 I CA 1.252 62.420 61.300 -0.220 0.000 1.413 580 I CB -0.670 37.017 38.000 -0.523 0.000 1.060 580 I HN -0.203 nan 8.210 nan 0.000 0.500 581 D N 0.786 121.197 120.400 0.020 0.000 2.423 581 D HA -0.002 4.639 4.640 0.001 0.000 0.212 581 D C 1.852 178.083 176.300 -0.116 0.000 1.060 581 D CA 1.367 55.346 54.000 -0.035 0.000 0.872 581 D CB 0.355 41.137 40.800 -0.031 0.000 1.012 581 D HN 0.542 nan 8.370 nan 0.000 0.503 582 T N -1.495 113.030 114.554 -0.049 0.000 3.085 582 T HA 0.102 4.453 4.350 0.001 0.000 0.264 582 T C 0.776 175.314 174.700 -0.270 0.000 1.019 582 T CA -0.687 61.368 62.100 -0.075 0.000 0.910 582 T CB -0.677 68.247 68.868 0.093 0.000 1.059 582 T HN 0.117 nan 8.240 nan 0.000 0.542 583 Y N 1.157 121.150 120.300 -0.512 0.000 2.330 583 Y HA 0.638 5.188 4.550 0.001 0.000 0.341 583 Y C 0.424 176.010 175.900 -0.523 0.000 1.278 583 Y CA -1.889 55.666 58.100 -0.908 0.000 1.453 583 Y CB 0.480 38.495 38.460 -0.742 0.000 1.342 583 Y HN -0.174 nan 8.280 nan 0.000 0.590 584 K N 2.080 122.242 120.400 -0.397 0.000 2.412 584 K HA 0.078 4.398 4.320 0.001 0.000 0.284 584 K C 0.434 176.915 176.600 -0.198 0.000 1.046 584 K CA 0.033 56.129 56.287 -0.318 0.000 0.999 584 K CB 0.865 33.169 32.500 -0.327 0.000 0.941 584 K HN 0.742 nan 8.250 nan 0.000 0.474 585 K N 2.569 122.807 120.400 -0.269 0.000 2.147 585 K HA -0.117 4.203 4.320 0.001 0.000 0.205 585 K C 0.377 176.968 176.600 -0.016 0.000 1.049 585 K CA 1.771 57.926 56.287 -0.219 0.000 0.936 585 K CB -0.026 32.347 32.500 -0.210 0.000 0.722 585 K HN 0.724 nan 8.250 nan 0.000 0.446 586 D N 0.153 120.567 120.400 0.024 0.000 2.265 586 D HA -0.164 4.476 4.640 0.001 0.000 0.208 586 D C 1.329 177.738 176.300 0.183 0.000 0.977 586 D CA 0.754 54.828 54.000 0.124 0.000 0.871 586 D CB -0.103 40.795 40.800 0.162 0.000 0.925 586 D HN 0.143 nan 8.370 nan 0.000 0.485 587 L N 0.596 121.909 121.223 0.151 0.000 2.261 587 L HA -0.184 4.156 4.340 0.001 0.000 0.216 587 L C 1.533 178.414 176.870 0.019 0.000 1.114 587 L CA 0.878 55.744 54.840 0.043 0.000 0.777 587 L CB -0.300 41.769 42.059 0.017 0.000 0.910 587 L HN 0.011 nan 8.230 nan 0.000 0.440 588 D N -0.647 119.805 120.400 0.087 0.000 2.178 588 D HA -0.158 4.483 4.640 0.001 0.000 0.201 588 D C 2.278 178.579 176.300 0.002 0.000 0.980 588 D CA 1.839 55.862 54.000 0.040 0.000 0.842 588 D CB -0.090 40.745 40.800 0.058 0.000 0.948 588 D HN 0.403 nan 8.370 nan 0.000 0.472 589 T N -1.247 113.325 114.554 0.030 0.000 3.023 589 T HA -0.047 4.303 4.350 0.001 0.000 0.266 589 T C 1.936 176.634 174.700 -0.003 0.000 1.093 589 T CA 0.494 62.612 62.100 0.030 0.000 1.129 589 T CB -0.345 68.571 68.868 0.080 0.000 0.899 589 T HN 0.382 nan 8.240 nan 0.000 0.491 590 I N -1.623 118.913 120.570 -0.057 0.000 4.018 590 I HA 0.725 4.895 4.170 0.001 0.000 0.337 590 I C 0.585 176.627 176.117 -0.125 0.000 1.327 590 I CA -0.980 60.247 61.300 -0.120 0.000 1.100 590 I CB 0.174 37.995 38.000 -0.298 0.000 1.025 590 I HN 0.267 nan 8.210 nan 0.000 0.396 591 A N 2.518 125.264 122.820 -0.122 0.000 2.549 591 A HA 0.670 4.990 4.320 0.001 0.000 0.297 591 A C -0.763 176.708 177.584 -0.189 0.000 1.061 591 A CA -0.523 51.422 52.037 -0.153 0.000 0.690 591 A CB 1.106 20.005 19.000 -0.167 0.000 1.287 591 A HN 0.355 nan 8.150 nan 0.000 0.402 592 N N 0.302 118.877 118.700 -0.208 0.000 2.390 592 N HA 0.141 4.882 4.740 0.001 0.000 0.259 592 N C -0.600 174.770 175.510 -0.232 0.000 1.395 592 N CA -0.286 52.641 53.050 -0.204 0.000 0.852 592 N CB 0.276 38.693 38.487 -0.117 0.000 1.371 592 N HN 0.556 nan 8.380 nan 0.000 0.491 593 E N 2.946 122.948 120.200 -0.329 0.000 2.415 593 E HA 0.184 4.534 4.350 0.001 0.000 0.263 593 E C -2.076 174.339 176.600 -0.309 0.000 0.995 593 E CA -1.290 54.961 56.400 -0.248 0.000 0.915 593 E CB 0.673 30.295 29.700 -0.131 0.000 0.951 593 E HN 0.295 nan 8.360 nan 0.000 0.449 594 P HA 0.068 nan 4.420 nan 0.000 0.274 594 P C -0.471 176.608 177.300 -0.367 0.000 1.231 594 P CA -0.229 62.704 63.100 -0.278 0.000 0.790 594 P CB 0.619 32.159 31.700 -0.266 0.000 0.951 595 L N 3.105 124.238 121.223 -0.150 0.000 2.490 595 L HA 0.027 4.367 4.340 0.001 0.000 0.274 595 L C 1.838 178.593 176.870 -0.193 0.000 1.201 595 L CA 0.023 54.849 54.840 -0.024 0.000 0.869 595 L CB -0.149 41.969 42.059 0.098 0.000 1.123 595 L HN 0.500 nan 8.230 nan 0.000 0.484 596 H N 2.065 121.139 119.070 0.008 0.000 2.648 596 H HA 0.178 4.734 4.556 0.001 0.000 0.265 596 H C -0.520 174.482 175.328 -0.543 0.000 0.961 596 H CA 0.220 56.087 56.048 -0.301 0.000 1.185 596 H CB 0.444 29.918 29.762 -0.480 0.000 1.449 596 H HN 0.408 nan 8.280 nan 0.000 0.523 597 Y N 0.187 120.459 120.300 -0.046 0.000 2.587 597 Y HA 0.183 4.733 4.550 0.001 0.000 0.337 597 Y C 0.542 176.300 175.900 -0.236 0.000 1.065 597 Y CA -1.290 56.542 58.100 -0.446 0.000 1.126 597 Y CB 1.087 38.727 38.460 -1.366 0.000 1.279 597 Y HN -0.155 nan 8.280 nan 0.000 0.489 598 D N 1.238 121.570 120.400 -0.115 0.000 2.498 598 D HA 0.001 4.641 4.640 0.001 0.000 0.229 598 D C -0.027 176.352 176.300 0.132 0.000 1.188 598 D CA 0.122 54.158 54.000 0.060 0.000 1.028 598 D CB -0.090 40.755 40.800 0.074 0.000 1.087 598 D HN 0.516 nan 8.370 nan 0.000 0.510 599 W N 1.473 122.864 121.300 0.152 0.000 2.425 599 W HA -0.049 4.612 4.660 0.000 0.000 0.277 599 W C 2.005 178.625 176.519 0.168 0.000 1.231 599 W CA 0.031 57.501 57.345 0.209 0.000 1.248 599 W CB 0.234 29.809 29.460 0.192 0.000 1.117 599 W HN 0.315 nan 8.180 nan 0.000 0.568 600 E N 0.016 120.401 120.200 0.310 0.000 2.107 600 E HA -0.089 4.261 4.350 0.001 0.000 0.191 600 E C 2.242 178.940 176.600 0.164 0.000 0.982 600 E CA 1.288 57.815 56.400 0.210 0.000 0.809 600 E CB -1.002 28.792 29.700 0.157 0.000 0.756 600 E HN 0.240 nan 8.360 nan 0.000 0.459 601 A N 1.640 124.548 122.820 0.147 0.000 1.858 601 A HA -0.162 4.158 4.320 0.001 0.000 0.216 601 A C 2.264 179.915 177.584 0.112 0.000 1.190 601 A CA 1.327 53.433 52.037 0.115 0.000 0.617 601 A CB -0.725 18.336 19.000 0.102 0.000 0.827 601 A HN 0.237 nan 8.150 nan 0.000 0.443 602 L N 0.028 121.320 121.223 0.116 0.000 2.042 602 L HA -0.167 4.173 4.340 0.001 0.000 0.210 602 L C 2.476 179.429 176.870 0.138 0.000 1.076 602 L CA 2.379 57.260 54.840 0.069 0.000 0.749 602 L CB -0.671 41.377 42.059 -0.019 0.000 0.893 602 L HN 0.502 nan 8.230 nan 0.000 0.432 603 R N -0.818 119.804 120.500 0.203 0.000 2.083 603 R HA -0.187 4.154 4.340 0.001 0.000 0.237 603 R C 2.047 178.448 176.300 0.169 0.000 1.137 603 R CA 1.671 57.901 56.100 0.216 0.000 0.951 603 R CB -0.084 30.342 30.300 0.210 0.000 0.851 603 R HN 0.382 nan 8.270 nan 0.000 0.434 604 E N 0.069 120.351 120.200 0.137 0.000 2.047 604 E HA -0.130 4.221 4.350 0.001 0.000 0.191 604 E C 1.947 178.617 176.600 0.117 0.000 0.987 604 E CA 1.228 57.695 56.400 0.112 0.000 0.799 604 E CB -0.631 29.125 29.700 0.093 0.000 0.752 604 E HN 0.191 nan 8.360 nan 0.000 0.449 605 S N 0.063 115.842 115.700 0.131 0.000 2.399 605 S HA -0.076 4.395 4.470 0.001 0.000 0.231 605 S C 2.011 176.714 174.600 0.172 0.000 1.022 605 S CA 0.618 58.929 58.200 0.186 0.000 0.983 605 S CB -0.160 63.105 63.200 0.109 0.000 0.803 605 S HN 0.152 nan 8.310 nan 0.000 0.480 606 I N 0.765 121.411 120.570 0.127 0.000 2.233 606 I HA -0.106 4.064 4.170 0.001 0.000 0.243 606 I C 2.630 178.869 176.117 0.203 0.000 1.093 606 I CA 1.043 62.423 61.300 0.134 0.000 1.380 606 I CB -0.238 37.891 38.000 0.215 0.000 1.067 606 I HN 0.210 nan 8.210 nan 0.000 0.413 607 K N 0.200 120.726 120.400 0.211 0.000 2.103 607 K HA -0.173 4.148 4.320 0.001 0.000 0.207 607 K C 2.012 178.678 176.600 0.111 0.000 1.048 607 K CA 1.819 58.227 56.287 0.202 0.000 0.930 607 K CB -0.034 32.551 32.500 0.142 0.000 0.716 607 K HN 0.308 nan 8.250 nan 0.000 0.444 608 T N -0.662 113.897 114.554 0.010 0.000 2.706 608 T HA -0.065 4.285 4.350 0.001 0.000 0.255 608 T C 1.327 175.865 174.700 -0.270 0.000 1.048 608 T CA 1.364 63.355 62.100 -0.182 0.000 1.153 608 T CB -0.216 68.429 68.868 -0.371 0.000 0.865 608 T HN 0.402 nan 8.240 nan 0.000 0.414 609 H N 0.035 119.070 119.070 -0.058 0.000 2.592 609 H HA 0.482 5.039 4.556 0.001 0.000 0.265 609 H C 1.333 176.508 175.328 -0.255 0.000 0.955 609 H CA 0.233 56.211 56.048 -0.117 0.000 1.175 609 H CB -0.048 29.651 29.762 -0.106 0.000 1.433 609 H HN 0.568 nan 8.280 nan 0.000 0.537 610 G N 0.352 108.988 108.800 -0.273 0.000 2.782 610 G HA2 -0.243 3.717 3.960 0.001 0.000 0.228 610 G HA3 -0.243 3.717 3.960 0.001 0.000 0.228 610 G C -0.827 173.582 174.900 -0.818 0.000 1.372 610 G CA -0.502 44.010 45.100 -0.979 0.000 0.862 610 G HN 0.201 nan 8.290 nan 0.000 0.547 611 L N -0.259 120.256 121.223 -1.179 0.000 2.334 611 L HA 0.590 4.930 4.340 0.001 0.000 0.276 611 L C 1.576 178.254 176.870 -0.320 0.000 1.014 611 L CA -0.938 53.608 54.840 -0.489 0.000 0.815 611 L CB 1.830 43.739 42.059 -0.251 0.000 1.268 611 L HN 0.714 nan 8.230 nan 0.000 0.428 612 R N 1.765 122.148 120.500 -0.196 0.000 2.115 612 R HA -0.011 4.329 4.340 0.001 0.000 0.230 612 R C -0.311 175.950 176.300 -0.066 0.000 1.111 612 R CA 1.196 57.223 56.100 -0.121 0.000 0.976 612 R CB -0.111 30.129 30.300 -0.100 0.000 0.870 612 R HN 0.677 nan 8.270 nan 0.000 0.445 613 N N -1.324 117.341 118.700 -0.058 0.000 2.296 613 N HA 0.208 4.949 4.740 0.001 0.000 0.294 613 N C -0.458 175.061 175.510 0.014 0.000 1.033 613 N CA -0.341 52.701 53.050 -0.013 0.000 0.839 613 N CB 2.262 40.732 38.487 -0.028 0.000 1.395 613 N HN -0.177 nan 8.380 nan 0.000 0.479 614 S N -0.244 115.505 115.700 0.082 0.000 2.423 614 S HA -0.039 4.432 4.470 0.001 0.000 0.231 614 S C 0.761 175.334 174.600 -0.045 0.000 1.014 614 S CA 0.910 59.150 58.200 0.067 0.000 0.965 614 S CB -0.156 63.162 63.200 0.196 0.000 0.785 614 S HN 0.827 nan 8.310 nan 0.000 0.495 615 T N -1.887 112.688 114.554 0.035 0.000 2.903 615 T HA 0.710 5.060 4.350 0.001 0.000 0.299 615 T C 0.141 174.861 174.700 0.034 0.000 1.093 615 T CA -0.791 61.338 62.100 0.049 0.000 1.002 615 T CB 1.627 70.576 68.868 0.135 0.000 1.127 615 T HN -0.053 nan 8.240 nan 0.000 0.488 616 L N 1.044 122.291 121.223 0.039 0.000 2.730 616 L HA 0.362 4.702 4.340 0.001 0.000 0.236 616 L C 0.821 177.721 176.870 0.050 0.000 1.061 616 L CA -0.083 54.775 54.840 0.030 0.000 0.898 616 L CB 0.611 42.676 42.059 0.010 0.000 1.270 616 L HN 0.891 nan 8.230 nan 0.000 0.500 617 S N -0.015 115.734 115.700 0.081 0.000 2.513 617 S HA 0.891 5.361 4.470 0.001 0.000 0.299 617 S C -0.510 174.138 174.600 0.080 0.000 1.087 617 S CA -0.418 57.837 58.200 0.092 0.000 1.012 617 S CB 2.522 65.814 63.200 0.153 0.000 1.044 617 S HN 0.118 nan 8.310 nan 0.000 0.485 618 A N 2.630 125.488 122.820 0.063 0.000 2.512 618 A HA 0.568 4.889 4.320 0.001 0.000 0.294 618 A C -1.130 176.481 177.584 0.045 0.000 1.054 618 A CA -0.793 51.273 52.037 0.050 0.000 0.756 618 A CB 0.815 19.836 19.000 0.034 0.000 1.293 618 A HN 0.870 nan 8.150 nan 0.000 0.395 619 L N 4.689 125.939 121.223 0.045 0.000 2.302 619 L HA 0.363 4.703 4.340 0.001 0.000 0.285 619 L C 0.593 177.478 176.870 0.027 0.000 1.090 619 L CA -0.480 54.387 54.840 0.045 0.000 0.866 619 L CB 0.534 42.613 42.059 0.033 0.000 1.244 619 L HN 0.832 nan 8.230 nan 0.000 0.435 620 M N 3.321 122.938 119.600 0.028 0.000 2.371 620 M HA 0.666 5.146 4.480 0.001 0.000 0.301 620 M C -2.709 173.612 176.300 0.034 0.000 1.173 620 M CA -1.965 53.346 55.300 0.019 0.000 1.020 620 M CB 0.024 32.634 32.600 0.017 0.000 1.490 620 M HN 0.013 nan 8.290 nan 0.000 0.485 621 P HA 0.429 nan 4.420 nan 0.000 0.279 621 P C -1.140 176.199 177.300 0.066 0.000 1.252 621 P CA -0.358 62.771 63.100 0.048 0.000 0.811 621 P CB 0.878 32.593 31.700 0.025 0.000 1.035 622 S N -0.854 114.898 115.700 0.086 0.000 2.632 622 S HA 0.678 5.148 4.470 0.001 0.000 0.289 622 S C 0.154 174.808 174.600 0.089 0.000 1.115 622 S CA -0.327 57.926 58.200 0.089 0.000 0.889 622 S CB 2.713 65.971 63.200 0.096 0.000 1.116 622 S HN 0.532 nan 8.310 nan 0.000 0.486 623 E N 0.358 120.608 120.200 0.082 0.000 3.383 623 E HA 0.110 4.460 4.350 0.001 0.000 0.256 623 E C 1.264 177.894 176.600 0.049 0.000 1.197 623 E CA 0.695 57.136 56.400 0.068 0.000 1.851 623 E CB -0.496 29.247 29.700 0.073 0.000 2.128 623 E HN 0.588 nan 8.360 nan 0.000 0.951 624 T N 0.373 114.963 114.554 0.060 0.000 2.770 624 T HA -0.073 4.277 4.350 0.001 0.000 0.263 624 T C 1.864 176.583 174.700 0.032 0.000 1.039 624 T CA 1.628 63.749 62.100 0.036 0.000 1.142 624 T CB -0.383 68.542 68.868 0.094 0.000 0.868 624 T HN 0.170 nan 8.240 nan 0.000 0.435 625 S N 2.568 118.330 115.700 0.103 0.000 2.368 625 S HA -0.118 4.352 4.470 0.001 0.000 0.225 625 S C 2.484 177.133 174.600 0.083 0.000 1.030 625 S CA 1.356 59.637 58.200 0.135 0.000 0.999 625 S CB -0.600 62.693 63.200 0.154 0.000 0.844 625 S HN 0.669 nan 8.310 nan 0.000 0.459 626 S N 1.875 117.616 115.700 0.069 0.000 2.428 626 S HA -0.072 4.399 4.470 0.001 0.000 0.230 626 S C 1.850 176.456 174.600 0.010 0.000 1.014 626 S CA 0.568 58.802 58.200 0.056 0.000 0.957 626 S CB -0.375 62.873 63.200 0.082 0.000 0.784 626 S HN 0.471 nan 8.310 nan 0.000 0.499 627 Q N 0.732 120.526 119.800 -0.010 0.000 2.016 627 Q HA -0.004 4.336 4.340 0.001 0.000 0.200 627 Q C 2.146 178.097 176.000 -0.083 0.000 0.978 627 Q CA 1.342 57.115 55.803 -0.050 0.000 0.833 627 Q CB -0.321 28.379 28.738 -0.065 0.000 0.895 627 Q HN 0.464 nan 8.270 nan 0.000 0.427 628 I N 0.643 121.160 120.570 -0.089 0.000 2.181 628 I HA -0.293 3.878 4.170 0.001 0.000 0.247 628 I C 1.841 177.850 176.117 -0.181 0.000 1.081 628 I CA 1.539 62.808 61.300 -0.052 0.000 1.340 628 I CB -1.055 36.967 38.000 0.037 0.000 1.036 628 I HN 0.102 nan 8.210 nan 0.000 0.417 629 S N -0.126 115.430 115.700 -0.239 0.000 2.593 629 S HA -0.014 4.456 4.470 0.001 0.000 0.217 629 S C 0.769 175.167 174.600 -0.337 0.000 0.966 629 S CA -0.064 57.831 58.200 -0.507 0.000 0.914 629 S CB -0.590 62.507 63.200 -0.172 0.000 0.776 629 S HN 0.554 nan 8.310 nan 0.000 0.523 630 N N 1.035 119.627 118.700 -0.181 0.000 2.667 630 N HA -0.227 4.514 4.740 0.001 0.000 0.263 630 N C -0.503 174.968 175.510 -0.064 0.000 1.038 630 N CA 0.176 53.170 53.050 -0.094 0.000 0.749 630 N CB -0.897 37.553 38.487 -0.062 0.000 0.892 630 N HN 0.475 nan 8.380 nan 0.000 0.546 631 A N 0.893 123.702 122.820 -0.018 0.000 2.413 631 A HA 0.659 4.979 4.320 0.001 0.000 0.307 631 A C 0.414 178.060 177.584 0.104 0.000 1.087 631 A CA -0.024 52.041 52.037 0.047 0.000 0.750 631 A CB 1.219 20.266 19.000 0.080 0.000 1.296 631 A HN 0.482 nan 8.150 nan 0.000 0.423 632 T N -0.183 114.483 114.554 0.187 0.000 2.926 632 T HA 0.248 4.599 4.350 0.001 0.000 0.307 632 T C 0.079 174.902 174.700 0.204 0.000 1.059 632 T CA -0.228 62.000 62.100 0.214 0.000 1.122 632 T CB -0.362 68.700 68.868 0.324 0.000 0.972 632 T HN 0.579 nan 8.240 nan 0.000 0.545 633 N N 1.851 120.653 118.700 0.171 0.000 2.475 633 N HA 0.424 5.164 4.740 0.001 0.000 0.267 633 N C 1.495 177.125 175.510 0.200 0.000 1.169 633 N CA 0.447 53.591 53.050 0.156 0.000 0.947 633 N CB 0.344 38.904 38.487 0.121 0.000 1.061 633 N HN 1.038 nan 8.380 nan 0.000 0.466 634 G N 2.850 111.762 108.800 0.185 0.000 2.702 634 G HA2 -0.375 3.586 3.960 0.001 0.000 0.342 634 G HA3 -0.375 3.586 3.960 0.001 0.000 0.342 634 G C 0.713 175.781 174.900 0.281 0.000 1.258 634 G CA 1.179 46.395 45.100 0.193 0.000 0.990 634 G HN 0.775 nan 8.290 nan 0.000 0.548 635 I N -1.706 119.036 120.570 0.287 0.000 4.025 635 I HA 0.508 4.679 4.170 0.001 0.000 0.336 635 I C 0.116 176.597 176.117 0.606 0.000 1.390 635 I CA -0.181 61.371 61.300 0.420 0.000 1.099 635 I CB 0.593 38.670 38.000 0.128 0.000 1.049 635 I HN 0.049 nan 8.210 nan 0.000 0.394 636 E N 3.520 123.969 120.200 0.414 0.000 2.331 636 E HA 0.363 4.713 4.350 0.001 0.000 0.272 636 E C -2.347 174.367 176.600 0.190 0.000 1.036 636 E CA -2.303 54.265 56.400 0.280 0.000 0.864 636 E CB 0.518 30.300 29.700 0.137 0.000 1.035 636 E HN 0.083 nan 8.360 nan 0.000 0.408 637 P HA 0.165 nan 4.420 nan 0.000 0.276 637 P C -2.422 174.798 177.300 -0.133 0.000 1.230 637 P CA -1.287 61.657 63.100 -0.260 0.000 0.776 637 P CB -0.118 31.175 31.700 -0.679 0.000 0.888 638 P HA 0.188 nan 4.420 nan 0.000 0.271 638 P C 0.812 178.013 177.300 -0.166 0.000 1.218 638 P CA -0.063 62.992 63.100 -0.074 0.000 0.780 638 P CB 1.118 32.781 31.700 -0.063 0.000 0.901 639 R N 1.342 121.755 120.500 -0.144 0.000 2.070 639 R HA 0.027 4.368 4.340 0.001 0.000 0.233 639 R C 1.415 177.648 176.300 -0.113 0.000 1.137 639 R CA 1.821 57.843 56.100 -0.131 0.000 0.945 639 R CB -0.484 29.804 30.300 -0.020 0.000 0.845 639 R HN 0.656 nan 8.270 nan 0.000 0.430 640 G N -2.561 106.161 108.800 -0.130 0.000 3.105 640 G HA2 0.284 4.244 3.960 0.001 0.000 0.277 640 G HA3 0.284 4.244 3.960 0.001 0.000 0.277 640 G C -0.617 174.126 174.900 -0.263 0.000 1.375 640 G CA -0.620 44.352 45.100 -0.214 0.000 0.962 640 G HN 0.061 nan 8.290 nan 0.000 0.541 641 Y N -1.026 119.248 120.300 -0.044 0.000 2.475 641 Y HA 0.263 4.814 4.550 0.001 0.000 0.289 641 Y C 1.119 176.937 175.900 -0.137 0.000 1.121 641 Y CA 0.056 58.097 58.100 -0.099 0.000 1.257 641 Y CB 0.175 38.589 38.460 -0.076 0.000 1.026 641 Y HN 0.058 nan 8.280 nan 0.000 0.555 642 V N -0.680 119.248 119.914 0.022 0.000 2.540 642 V HA 0.400 4.521 4.120 0.001 0.000 0.302 642 V C -0.125 175.962 176.094 -0.012 0.000 1.035 642 V CA -1.179 61.111 62.300 -0.017 0.000 0.873 642 V CB 1.874 33.673 31.823 -0.039 0.000 0.992 642 V HN -0.119 nan 8.190 nan 0.000 0.428 643 S N 4.004 119.698 115.700 -0.010 0.000 2.565 643 S HA 0.777 5.247 4.470 0.001 0.000 0.290 643 S C -0.511 174.090 174.600 0.001 0.000 1.150 643 S CA -0.361 57.837 58.200 -0.002 0.000 1.058 643 S CB 1.088 64.288 63.200 -0.001 0.000 1.032 643 S HN 0.542 nan 8.310 nan 0.000 0.510 644 I N 3.033 123.607 120.570 0.007 0.000 2.439 644 I HA 0.383 4.553 4.170 0.001 0.000 0.285 644 I C -0.772 175.352 176.117 0.012 0.000 1.021 644 I CA -0.490 60.816 61.300 0.009 0.000 1.091 644 I CB 1.702 39.707 38.000 0.008 0.000 1.242 644 I HN 0.350 nan 8.210 nan 0.000 0.439 645 K N 4.709 125.116 120.400 0.011 0.000 2.221 645 K HA 0.789 5.109 4.320 0.001 0.000 0.258 645 K C -0.352 176.255 176.600 0.013 0.000 0.944 645 K CA -0.477 55.816 56.287 0.010 0.000 0.823 645 K CB 2.018 34.518 32.500 0.001 0.000 1.113 645 K HN 0.605 nan 8.250 nan 0.000 0.431 646 A N 1.605 124.433 122.820 0.013 0.000 2.386 646 A HA 0.544 4.864 4.320 0.001 0.000 0.248 646 A C -0.196 177.395 177.584 0.013 0.000 1.082 646 A CA 0.091 52.136 52.037 0.014 0.000 0.789 646 A CB 0.148 19.156 19.000 0.013 0.000 1.025 646 A HN 0.754 nan 8.150 nan 0.000 0.490 647 S N 0.848 116.558 115.700 0.016 0.000 2.565 647 S HA 0.403 4.873 4.470 0.001 0.000 0.274 647 S C 0.741 175.353 174.600 0.020 0.000 1.144 647 S CA -0.090 58.119 58.200 0.014 0.000 0.849 647 S CB 1.043 64.248 63.200 0.008 0.000 1.103 647 S HN 1.117 nan 8.310 nan 0.000 0.455 648 K N 1.426 121.837 120.400 0.018 0.000 2.128 648 K HA -0.244 4.076 4.320 0.001 0.000 0.220 648 K C 0.018 176.636 176.600 0.031 0.000 1.049 648 K CA 2.490 58.791 56.287 0.022 0.000 0.948 648 K CB -1.557 30.955 32.500 0.020 0.000 0.742 648 K HN 0.762 nan 8.250 nan 0.000 0.465 649 D N 1.639 122.063 120.400 0.040 0.000 2.587 649 D HA 0.309 4.949 4.640 0.001 0.000 0.233 649 D C 0.921 177.265 176.300 0.074 0.000 1.213 649 D CA 0.767 54.803 54.000 0.061 0.000 0.827 649 D CB 0.279 41.125 40.800 0.077 0.000 1.006 649 D HN 0.596 nan 8.370 nan 0.000 0.490 650 G N 0.752 109.583 108.800 0.052 0.000 2.582 650 G HA2 -0.195 3.766 3.960 0.001 0.000 0.222 650 G HA3 -0.195 3.766 3.960 0.001 0.000 0.222 650 G C -0.583 174.349 174.900 0.053 0.000 1.311 650 G CA -0.957 44.171 45.100 0.047 0.000 0.915 650 G HN 0.199 nan 8.290 nan 0.000 0.528 651 I N 0.970 121.568 120.570 0.046 0.000 2.342 651 I HA 0.383 4.554 4.170 0.001 0.000 0.291 651 I C 0.563 176.729 176.117 0.082 0.000 1.010 651 I CA -0.483 60.843 61.300 0.043 0.000 1.308 651 I CB 1.077 39.087 38.000 0.018 0.000 1.400 651 I HN 0.329 nan 8.210 nan 0.000 0.488 652 L N 7.308 128.576 121.223 0.075 0.000 2.255 652 L HA 0.466 4.806 4.340 0.001 0.000 0.289 652 L C 0.124 177.032 176.870 0.063 0.000 1.046 652 L CA -0.428 54.474 54.840 0.103 0.000 0.816 652 L CB 0.277 42.352 42.059 0.027 0.000 1.197 652 L HN 0.562 nan 8.230 nan 0.000 0.427 653 R N 3.031 123.577 120.500 0.077 0.000 2.346 653 R HA 0.436 4.777 4.340 0.001 0.000 0.311 653 R C -0.629 175.687 176.300 0.026 0.000 0.983 653 R CA -0.480 55.638 56.100 0.030 0.000 0.880 653 R CB 2.042 32.343 30.300 0.003 0.000 1.100 653 R HN 0.544 nan 8.270 nan 0.000 0.453 654 Q N 2.364 122.163 119.800 -0.002 0.000 2.323 654 Q HA 0.360 4.700 4.340 0.001 0.000 0.271 654 Q C -1.444 174.540 176.000 -0.027 0.000 1.048 654 Q CA -0.736 55.055 55.803 -0.021 0.000 0.792 654 Q CB 2.304 31.026 28.738 -0.026 0.000 1.280 654 Q HN 0.358 nan 8.270 nan 0.000 0.441 655 V N 4.074 123.967 119.914 -0.035 0.000 2.427 655 V HA 0.273 4.394 4.120 0.001 0.000 0.286 655 V C 0.356 176.461 176.094 0.018 0.000 1.034 655 V CA -0.857 61.426 62.300 -0.028 0.000 0.893 655 V CB 1.148 32.941 31.823 -0.050 0.000 0.982 655 V HN 0.710 nan 8.190 nan 0.000 0.452 656 V N 4.162 124.096 119.914 0.034 0.000 2.843 656 V HA 0.138 4.259 4.120 0.001 0.000 0.305 656 V C -1.817 174.361 176.094 0.140 0.000 1.120 656 V CA -1.052 61.278 62.300 0.051 0.000 1.254 656 V CB -0.518 31.232 31.823 -0.121 0.000 0.901 656 V HN 0.789 nan 8.190 nan 0.000 0.503 657 P HA 0.053 nan 4.420 nan 0.000 0.266 657 P C 0.144 177.558 177.300 0.189 0.000 1.195 657 P CA 0.601 63.701 63.100 0.001 0.000 0.768 657 P CB 0.237 31.682 31.700 -0.426 0.000 0.838 658 D N 1.071 121.600 120.400 0.214 0.000 2.708 658 D HA -0.271 4.369 4.640 0.001 0.000 0.236 658 D C 0.459 177.012 176.300 0.421 0.000 1.146 658 D CA 0.597 54.793 54.000 0.327 0.000 0.662 658 D CB -1.601 39.412 40.800 0.354 0.000 1.059 658 D HN 0.512 nan 8.370 nan 0.000 0.428 659 Y N 0.429 120.892 120.300 0.271 0.000 2.165 659 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 659 Y C 2.196 178.226 175.900 0.217 0.000 1.155 659 Y CA 2.642 60.875 58.100 0.222 0.000 1.164 659 Y CB -0.159 38.335 38.460 0.057 0.000 0.978 659 Y HN 0.364 nan 8.280 nan 0.000 0.513 660 E N -0.846 119.473 120.200 0.199 0.000 2.065 660 E HA -0.312 4.038 4.350 0.001 0.000 0.201 660 E C 1.829 178.401 176.600 -0.047 0.000 1.016 660 E CA 2.034 58.453 56.400 0.032 0.000 0.818 660 E CB -0.479 29.264 29.700 0.071 0.000 0.749 660 E HN 0.692 nan 8.360 nan 0.000 0.453 661 H N -0.997 118.116 119.070 0.071 0.000 2.525 661 H HA 0.115 4.671 4.556 0.001 0.000 0.275 661 H C 1.463 176.755 175.328 -0.061 0.000 0.984 661 H CA 0.751 56.809 56.048 0.017 0.000 1.264 661 H CB 0.596 30.372 29.762 0.023 0.000 1.432 661 H HN 0.240 nan 8.280 nan 0.000 0.549 662 L N 1.281 122.558 121.223 0.091 0.000 2.906 662 L HA 0.053 4.394 4.340 0.001 0.000 0.255 662 L C 2.132 179.035 176.870 0.054 0.000 1.166 662 L CA -0.128 54.728 54.840 0.026 0.000 0.977 662 L CB 0.019 42.121 42.059 0.072 0.000 1.313 662 L HN 0.305 nan 8.230 nan 0.000 0.549 663 H N -0.312 118.653 119.070 -0.174 0.000 2.357 663 H HA -0.199 4.358 4.556 0.001 0.000 0.296 663 H C 0.653 176.021 175.328 0.067 0.000 1.108 663 H CA 1.785 57.652 56.048 -0.302 0.000 1.273 663 H CB -0.359 28.797 29.762 -1.009 0.000 1.367 663 H HN 0.358 nan 8.280 nan 0.000 0.498 664 D N 1.142 121.346 120.400 -0.327 0.000 2.277 664 D HA 0.092 4.732 4.640 0.001 0.000 0.208 664 D C 2.282 178.585 176.300 0.005 0.000 0.962 664 D CA 0.990 54.933 54.000 -0.096 0.000 0.865 664 D CB -0.078 40.604 40.800 -0.197 0.000 0.939 664 D HN 0.547 nan 8.370 nan 0.000 0.510 665 A N 0.456 123.256 122.820 -0.033 0.000 1.929 665 A HA -0.104 4.216 4.320 0.001 0.000 0.216 665 A C 0.677 178.280 177.584 0.031 0.000 1.176 665 A CA 0.433 52.442 52.037 -0.047 0.000 0.628 665 A CB -0.664 18.247 19.000 -0.149 0.000 0.816 665 A HN 0.101 nan 8.150 nan 0.000 0.444 666 Y N 0.523 120.908 120.300 0.142 0.000 2.702 666 Y HA 0.200 4.751 4.550 0.001 0.000 0.336 666 Y C 0.758 176.760 175.900 0.170 0.000 1.235 666 Y CA 0.640 58.863 58.100 0.204 0.000 1.492 666 Y CB 0.337 38.998 38.460 0.335 0.000 1.308 666 Y HN 0.416 nan 8.280 nan 0.000 0.589 667 E N 4.303 124.699 120.200 0.326 0.000 2.073 667 E HA 0.336 4.687 4.350 0.001 0.000 0.269 667 E C -1.282 175.387 176.600 0.114 0.000 0.917 667 E CA -0.488 56.037 56.400 0.208 0.000 0.757 667 E CB 0.371 30.197 29.700 0.210 0.000 1.111 667 E HN 0.590 nan 8.360 nan 0.000 0.410 668 L N 5.014 126.256 121.223 0.032 0.000 2.461 668 L HA 0.020 4.360 4.340 0.001 0.000 0.272 668 L C 1.672 178.443 176.870 -0.165 0.000 1.197 668 L CA -0.411 54.367 54.840 -0.104 0.000 0.836 668 L CB 0.323 42.271 42.059 -0.184 0.000 1.105 668 L HN 0.766 nan 8.230 nan 0.000 0.477 669 L N 2.705 123.746 121.223 -0.304 0.000 2.011 669 L HA -0.238 4.102 4.340 0.001 0.000 0.225 669 L C 1.613 178.189 176.870 -0.489 0.000 1.084 669 L CA 2.243 56.759 54.840 -0.539 0.000 0.791 669 L CB -0.544 41.033 42.059 -0.803 0.000 0.898 669 L HN 0.596 nan 8.230 nan 0.000 0.440 670 W N -0.243 121.012 121.300 -0.075 0.000 3.310 670 W HA 0.093 4.754 4.660 0.001 0.000 0.259 670 W C 1.761 178.265 176.519 -0.026 0.000 1.324 670 W CA 0.031 57.349 57.345 -0.044 0.000 1.636 670 W CB -0.196 29.247 29.460 -0.028 0.000 1.104 670 W HN 0.287 nan 8.180 nan 0.000 0.722 671 E N 0.133 120.397 120.200 0.107 0.000 2.474 671 E HA 0.087 4.437 4.350 0.001 0.000 0.195 671 E C 0.642 177.286 176.600 0.073 0.000 1.039 671 E CA -0.010 56.447 56.400 0.094 0.000 0.881 671 E CB 0.084 29.831 29.700 0.078 0.000 0.970 671 E HN 0.246 nan 8.360 nan 0.000 0.486 672 M N 1.663 121.291 119.600 0.047 0.000 2.146 672 M HA 0.123 4.603 4.480 0.001 0.000 0.352 672 M C -1.824 174.515 176.300 0.065 0.000 1.343 672 M CA -1.696 53.631 55.300 0.045 0.000 1.115 672 M CB 0.552 33.148 32.600 -0.007 0.000 1.657 672 M HN -0.220 nan 8.290 nan 0.000 0.471 673 P HA -0.098 nan 4.420 nan 0.000 0.220 673 P C 0.498 177.832 177.300 0.057 0.000 1.144 673 P CA 0.852 63.982 63.100 0.051 0.000 0.800 673 P CB 0.297 32.025 31.700 0.047 0.000 0.772 674 G N -2.468 106.373 108.800 0.068 0.000 2.494 674 G HA2 0.091 4.051 3.960 0.001 0.000 0.308 674 G HA3 0.091 4.051 3.960 0.001 0.000 0.308 674 G C -0.178 174.748 174.900 0.043 0.000 1.263 674 G CA -0.351 44.792 45.100 0.071 0.000 0.840 674 G HN -0.235 nan 8.290 nan 0.000 0.479 675 N N 0.234 118.961 118.700 0.045 0.000 2.392 675 N HA 0.026 4.767 4.740 0.001 0.000 0.177 675 N C 1.298 176.923 175.510 0.192 0.000 1.066 675 N CA 0.572 53.660 53.050 0.065 0.000 0.895 675 N CB 0.214 38.706 38.487 0.008 0.000 0.988 675 N HN 0.491 nan 8.380 nan 0.000 0.457 676 D N 0.769 121.281 120.400 0.186 0.000 2.133 676 D HA -0.162 4.478 4.640 0.001 0.000 0.192 676 D C 1.822 178.248 176.300 0.210 0.000 1.001 676 D CA 1.503 55.631 54.000 0.213 0.000 0.844 676 D CB -0.326 40.585 40.800 0.185 0.000 0.944 676 D HN 0.312 nan 8.370 nan 0.000 0.447 677 G N -0.306 108.611 108.800 0.195 0.000 2.403 677 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 677 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 677 G C 1.550 176.584 174.900 0.223 0.000 1.154 677 G CA 0.545 45.750 45.100 0.175 0.000 0.784 677 G HN 0.317 nan 8.290 nan 0.000 0.538 678 Y N 1.157 121.564 120.300 0.179 0.000 2.114 678 Y HA -0.035 4.515 4.550 0.001 0.000 0.284 678 Y C 2.546 178.537 175.900 0.152 0.000 1.143 678 Y CA 1.416 59.657 58.100 0.234 0.000 1.135 678 Y CB -0.293 38.280 38.460 0.188 0.000 0.980 678 Y HN 0.080 nan 8.280 nan 0.000 0.499 679 L N 0.226 121.596 121.223 0.245 0.000 2.079 679 L HA -0.293 4.048 4.340 0.001 0.000 0.210 679 L C 2.570 179.466 176.870 0.042 0.000 1.081 679 L CA 1.666 56.596 54.840 0.150 0.000 0.752 679 L CB -0.626 41.603 42.059 0.283 0.000 0.896 679 L HN 0.396 nan 8.230 nan 0.000 0.433 680 Q N -0.305 119.498 119.800 0.005 0.000 2.084 680 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 680 Q C 2.385 178.248 176.000 -0.227 0.000 0.978 680 Q CA 1.251 56.915 55.803 -0.232 0.000 0.844 680 Q CB -0.075 28.499 28.738 -0.274 0.000 0.898 680 Q HN 0.543 nan 8.270 nan 0.000 0.426 681 L N -0.186 120.939 121.223 -0.163 0.000 2.056 681 L HA -0.166 4.174 4.340 0.001 0.000 0.207 681 L C 2.381 179.054 176.870 -0.328 0.000 1.078 681 L CA 0.712 55.437 54.840 -0.193 0.000 0.749 681 L CB -0.575 41.430 42.059 -0.089 0.000 0.901 681 L HN 0.101 nan 8.230 nan 0.000 0.433 682 V N 0.579 120.268 119.914 -0.374 0.000 2.324 682 V HA -0.265 3.855 4.120 0.001 0.000 0.250 682 V C 2.651 178.598 176.094 -0.245 0.000 1.060 682 V CA 2.151 64.237 62.300 -0.357 0.000 1.042 682 V CB -1.302 30.332 31.823 -0.315 0.000 0.650 682 V HN 0.592 nan 8.190 nan 0.000 0.450 683 G N -0.412 108.283 108.800 -0.176 0.000 2.418 683 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 683 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 683 G C 1.570 176.356 174.900 -0.190 0.000 1.158 683 G CA 0.978 45.997 45.100 -0.135 0.000 0.771 683 G HN 0.503 nan 8.290 nan 0.000 0.545 684 I N 0.268 120.706 120.570 -0.221 0.000 2.394 684 I HA -0.139 4.031 4.170 0.001 0.000 0.251 684 I C 2.875 178.882 176.117 -0.183 0.000 1.136 684 I CA 0.827 62.024 61.300 -0.172 0.000 1.425 684 I CB -0.134 37.810 38.000 -0.094 0.000 1.079 684 I HN 0.188 nan 8.210 nan 0.000 0.425 685 M N -0.334 119.053 119.600 -0.355 0.000 2.132 685 M HA -0.238 4.243 4.480 0.001 0.000 0.263 685 M C 2.300 178.496 176.300 -0.173 0.000 1.065 685 M CA 1.642 56.633 55.300 -0.516 0.000 1.122 685 M CB -0.317 31.739 32.600 -0.906 0.000 1.365 685 M HN 0.078 nan 8.290 nan 0.000 0.411 686 Q N 0.901 120.608 119.800 -0.154 0.000 2.437 686 Q HA -0.146 4.194 4.340 0.001 0.000 0.210 686 Q C 1.676 177.704 176.000 0.046 0.000 0.972 686 Q CA 1.390 57.173 55.803 -0.033 0.000 0.903 686 Q CB -0.252 28.468 28.738 -0.030 0.000 0.967 686 Q HN 0.400 nan 8.270 nan 0.000 0.486 687 K N -1.169 119.139 120.400 -0.154 0.000 2.097 687 K HA -0.141 4.179 4.320 0.001 0.000 0.206 687 K C 0.822 177.225 176.600 -0.329 0.000 1.049 687 K CA 1.504 57.555 56.287 -0.394 0.000 0.933 687 K CB -0.081 31.864 32.500 -0.925 0.000 0.717 687 K HN 0.250 nan 8.250 nan 0.000 0.442 688 F N 0.517 120.486 119.950 0.031 0.000 2.678 688 F HA 0.243 4.770 4.527 0.000 0.000 0.291 688 F C 0.647 176.521 175.800 0.123 0.000 1.123 688 F CA -0.486 57.563 58.000 0.083 0.000 1.395 688 F CB 0.244 39.312 39.000 0.113 0.000 1.121 688 F HN -0.142 nan 8.300 nan 0.000 0.592 689 I N 1.553 122.267 120.570 0.239 0.000 2.588 689 I HA -0.051 4.119 4.170 0.001 0.000 0.283 689 I C 1.070 177.227 176.117 0.066 0.000 1.119 689 I CA 0.189 61.589 61.300 0.167 0.000 1.419 689 I CB 0.429 38.495 38.000 0.111 0.000 1.394 689 I HN 0.143 nan 8.210 nan 0.000 0.562 690 D N 4.101 124.556 120.400 0.092 0.000 2.097 690 D HA -0.104 4.536 4.640 0.001 0.000 0.197 690 D C 1.345 177.665 176.300 0.033 0.000 0.984 690 D CA 1.449 55.484 54.000 0.058 0.000 0.826 690 D CB 0.533 41.401 40.800 0.113 0.000 0.973 690 D HN 0.606 nan 8.370 nan 0.000 0.460 691 Q N -0.217 119.618 119.800 0.060 0.000 3.076 691 Q HA 0.339 4.680 4.340 0.001 0.000 0.212 691 Q C 0.432 176.454 176.000 0.038 0.000 1.168 691 Q CA -0.361 55.478 55.803 0.060 0.000 0.333 691 Q CB 0.399 29.177 28.738 0.067 0.000 5.777 691 Q HN -0.086 nan 8.270 nan 0.000 0.315 692 S N -1.066 114.654 115.700 0.034 0.000 2.841 692 S HA 0.678 5.148 4.470 0.001 0.000 0.318 692 S C -1.382 173.227 174.600 0.014 0.000 1.127 692 S CA -0.740 57.476 58.200 0.027 0.000 0.883 692 S CB 0.866 64.084 63.200 0.030 0.000 1.271 692 S HN 0.338 nan 8.310 nan 0.000 0.567 693 I N 1.279 121.852 120.570 0.004 0.000 2.582 693 I HA 0.317 4.488 4.170 0.001 0.000 0.292 693 I C -0.408 175.703 176.117 -0.010 0.000 1.066 693 I CA -0.488 60.805 61.300 -0.012 0.000 1.053 693 I CB 2.306 40.277 38.000 -0.050 0.000 1.241 693 I HN 0.379 nan 8.210 nan 0.000 0.421 694 S N 4.951 120.640 115.700 -0.017 0.000 3.900 694 S HA 0.350 4.820 4.470 0.001 0.000 0.248 694 S C 0.309 174.920 174.600 0.018 0.000 1.310 694 S CA -0.491 57.681 58.200 -0.047 0.000 0.915 694 S CB -0.347 62.804 63.200 -0.081 0.000 1.588 694 S HN 0.608 nan 8.310 nan 0.000 0.472 695 A N 3.820 126.676 122.820 0.061 0.000 2.301 695 A HA 0.473 4.793 4.320 0.001 0.000 0.298 695 A C 0.202 177.911 177.584 0.209 0.000 1.185 695 A CA -0.817 51.341 52.037 0.201 0.000 0.830 695 A CB 0.305 19.417 19.000 0.185 0.000 1.112 695 A HN 0.732 nan 8.150 nan 0.000 0.508 696 N N 0.485 119.332 118.700 0.245 0.000 2.492 696 N HA 0.564 5.305 4.740 0.001 0.000 0.289 696 N C -0.198 175.368 175.510 0.094 0.000 1.133 696 N CA -0.432 52.703 53.050 0.143 0.000 0.961 696 N CB 1.498 40.029 38.487 0.073 0.000 1.186 696 N HN 0.698 nan 8.380 nan 0.000 0.493 697 T N -1.303 113.337 114.554 0.143 0.000 2.895 697 T HA 0.474 4.825 4.350 0.001 0.000 0.283 697 T C -0.785 173.930 174.700 0.024 0.000 1.014 697 T CA -1.010 61.143 62.100 0.089 0.000 1.037 697 T CB 0.895 69.943 68.868 0.300 0.000 1.006 697 T HN 0.387 nan 8.240 nan 0.000 0.468 698 N N 1.295 119.842 118.700 -0.255 0.000 2.225 698 N HA 0.400 5.140 4.740 0.001 0.000 0.298 698 N C -1.853 173.466 175.510 -0.317 0.000 1.076 698 N CA -0.548 52.416 53.050 -0.143 0.000 0.792 698 N CB 2.382 40.661 38.487 -0.348 0.000 1.498 698 N HN 0.680 nan 8.380 nan 0.000 0.474 699 Y N -0.423 120.155 120.300 0.463 0.000 2.396 699 Y HA 0.181 4.731 4.550 0.000 0.000 0.332 699 Y C -0.656 175.438 175.900 0.324 0.000 1.034 699 Y CA -0.969 57.368 58.100 0.396 0.000 1.057 699 Y CB 1.903 40.477 38.460 0.190 0.000 1.220 699 Y HN 0.377 nan 8.280 nan 0.000 0.440 700 D N 5.005 125.649 120.400 0.406 0.000 2.373 700 D HA 0.307 4.947 4.640 0.001 0.000 0.227 700 D C -2.086 174.355 176.300 0.234 0.000 1.091 700 D CA -2.508 51.525 54.000 0.055 0.000 0.840 700 D CB 2.064 42.860 40.800 -0.006 0.000 1.060 700 D HN 0.200 nan 8.370 nan 0.000 0.502 701 P HA -0.174 nan 4.420 nan 0.000 0.216 701 P C 1.234 178.662 177.300 0.214 0.000 1.153 701 P CA 1.348 64.556 63.100 0.181 0.000 0.858 701 P CB 0.112 31.838 31.700 0.044 0.000 0.789 702 S N -1.319 114.432 115.700 0.085 0.000 2.595 702 S HA -0.043 4.427 4.470 0.001 0.000 0.235 702 S C 1.681 176.297 174.600 0.028 0.000 0.974 702 S CA 0.479 58.706 58.200 0.044 0.000 0.942 702 S CB -0.796 62.398 63.200 -0.010 0.000 0.766 702 S HN 0.119 nan 8.310 nan 0.000 0.536 703 R N -0.620 119.899 120.500 0.031 0.000 2.300 703 R HA 0.336 4.676 4.340 0.001 0.000 0.199 703 R C -0.846 175.225 176.300 -0.382 0.000 0.920 703 R CA 0.150 56.136 56.100 -0.190 0.000 1.046 703 R CB 0.180 30.296 30.300 -0.306 0.000 0.984 703 R HN 0.420 nan 8.270 nan 0.000 0.493 704 F N 0.642 120.620 119.950 0.048 0.000 2.520 704 F HA 0.359 4.886 4.527 0.001 0.000 0.322 704 F C -2.006 173.812 175.800 0.031 0.000 1.103 704 F CA -3.240 54.789 58.000 0.048 0.000 0.926 704 F CB 1.283 40.317 39.000 0.058 0.000 1.154 704 F HN -0.297 nan 8.300 nan 0.000 0.453 705 P HA -0.024 nan 4.420 nan 0.000 0.255 705 P C 0.048 177.413 177.300 0.108 0.000 1.161 705 P CA 0.937 64.106 63.100 0.115 0.000 0.768 705 P CB 0.217 31.981 31.700 0.106 0.000 0.746 706 S N 2.128 117.874 115.700 0.076 0.000 3.482 706 S HA -0.185 4.285 4.470 0.001 0.000 0.294 706 S C 1.394 176.030 174.600 0.059 0.000 1.244 706 S CA 1.125 59.358 58.200 0.056 0.000 0.911 706 S CB -2.178 61.048 63.200 0.044 0.000 1.070 706 S HN 0.968 nan 8.310 nan 0.000 0.614 707 G N 0.599 109.453 108.800 0.089 0.000 2.435 707 G HA2 -0.419 3.542 3.960 0.001 0.000 0.245 707 G HA3 -0.419 3.542 3.960 0.001 0.000 0.245 707 G C -0.041 174.905 174.900 0.076 0.000 1.073 707 G CA 0.886 46.037 45.100 0.084 0.000 0.638 707 G HN 1.173 nan 8.290 nan 0.000 0.521 708 K N 0.988 121.416 120.400 0.047 0.000 2.368 708 K HA 0.618 4.938 4.320 0.001 0.000 0.282 708 K C -0.021 176.523 176.600 -0.093 0.000 1.035 708 K CA -0.604 55.672 56.287 -0.018 0.000 0.973 708 K CB 2.071 34.560 32.500 -0.017 0.000 0.957 708 K HN 0.143 nan 8.250 nan 0.000 0.474 709 V N 5.024 124.792 119.914 -0.242 0.000 2.432 709 V HA 0.189 4.309 4.120 0.001 0.000 0.271 709 V C -1.708 174.142 176.094 -0.408 0.000 1.046 709 V CA -1.615 60.337 62.300 -0.579 0.000 0.945 709 V CB 0.430 31.890 31.823 -0.605 0.000 0.992 709 V HN 0.859 nan 8.190 nan 0.000 0.471 710 P HA 0.130 nan 4.420 nan 0.000 0.276 710 P C 0.626 177.835 177.300 -0.152 0.000 1.243 710 P CA -0.460 62.542 63.100 -0.164 0.000 0.768 710 P CB 0.944 32.618 31.700 -0.043 0.000 0.856 711 M N 3.474 123.016 119.600 -0.097 0.000 2.143 711 M HA -0.266 4.214 4.480 0.001 0.000 0.258 711 M C 2.041 178.325 176.300 -0.026 0.000 1.071 711 M CA 2.025 57.288 55.300 -0.061 0.000 1.088 711 M CB -1.109 31.477 32.600 -0.024 0.000 1.360 711 M HN 0.409 nan 8.290 nan 0.000 0.404 712 Q N -0.358 119.438 119.800 -0.007 0.000 2.061 712 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 712 Q C 2.120 178.147 176.000 0.045 0.000 0.984 712 Q CA 2.394 58.212 55.803 0.024 0.000 0.846 712 Q CB -0.447 28.314 28.738 0.038 0.000 0.902 712 Q HN 0.656 nan 8.270 nan 0.000 0.421 713 Q N -0.380 119.448 119.800 0.047 0.000 2.167 713 Q HA -0.028 4.312 4.340 0.001 0.000 0.202 713 Q C 1.863 177.929 176.000 0.111 0.000 0.970 713 Q CA 1.326 57.200 55.803 0.118 0.000 0.855 713 Q CB -0.212 28.636 28.738 0.182 0.000 0.911 713 Q HN 0.557 nan 8.270 nan 0.000 0.438 714 L N -0.607 120.600 121.223 -0.028 0.000 2.017 714 L HA -0.188 4.153 4.340 0.001 0.000 0.208 714 L C 2.226 179.154 176.870 0.097 0.000 1.073 714 L CA 1.096 55.917 54.840 -0.033 0.000 0.745 714 L CB -0.461 41.512 42.059 -0.143 0.000 0.894 714 L HN 0.249 nan 8.230 nan 0.000 0.432 715 L N -0.459 120.810 121.223 0.076 0.000 2.109 715 L HA -0.189 4.151 4.340 0.001 0.000 0.207 715 L C 2.672 179.593 176.870 0.086 0.000 1.086 715 L CA 1.097 55.990 54.840 0.089 0.000 0.760 715 L CB -0.486 41.598 42.059 0.041 0.000 0.910 715 L HN 0.207 nan 8.230 nan 0.000 0.437 716 K N 0.353 120.803 120.400 0.085 0.000 2.001 716 K HA -0.245 4.075 4.320 0.001 0.000 0.214 716 K C 1.745 178.410 176.600 0.109 0.000 1.050 716 K CA 2.119 58.455 56.287 0.081 0.000 0.934 716 K CB -0.111 32.446 32.500 0.094 0.000 0.718 716 K HN 0.205 nan 8.250 nan 0.000 0.443 717 D N 0.907 121.412 120.400 0.176 0.000 2.133 717 D HA -0.218 4.422 4.640 0.001 0.000 0.192 717 D C 1.894 178.310 176.300 0.194 0.000 1.001 717 D CA 1.115 55.244 54.000 0.214 0.000 0.844 717 D CB -0.312 40.682 40.800 0.322 0.000 0.944 717 D HN 0.205 nan 8.370 nan 0.000 0.447 718 L N 0.245 121.588 121.223 0.201 0.000 2.083 718 L HA -0.127 4.213 4.340 0.001 0.000 0.209 718 L C 2.125 179.074 176.870 0.132 0.000 1.083 718 L CA 1.332 56.304 54.840 0.221 0.000 0.752 718 L CB -0.223 42.004 42.059 0.280 0.000 0.899 718 L HN 0.020 nan 8.230 nan 0.000 0.433 719 L N -1.700 119.548 121.223 0.041 0.000 2.131 719 L HA -0.113 4.227 4.340 0.001 0.000 0.206 719 L C 2.345 179.167 176.870 -0.080 0.000 1.087 719 L CA 1.251 56.031 54.840 -0.100 0.000 0.767 719 L CB -1.010 40.983 42.059 -0.110 0.000 0.917 719 L HN 0.187 nan 8.230 nan 0.000 0.441 720 T N 0.319 114.849 114.554 -0.040 0.000 2.635 720 T HA -0.277 4.073 4.350 0.001 0.000 0.267 720 T C 2.060 176.732 174.700 -0.048 0.000 1.040 720 T CA 1.619 63.657 62.100 -0.103 0.000 1.156 720 T CB -0.347 68.548 68.868 0.045 0.000 0.863 720 T HN 0.456 nan 8.240 nan 0.000 0.430 721 A N 0.647 123.530 122.820 0.105 0.000 1.869 721 A HA -0.203 4.117 4.320 0.001 0.000 0.218 721 A C 2.094 179.753 177.584 0.125 0.000 1.203 721 A CA 2.171 54.306 52.037 0.163 0.000 0.638 721 A CB -1.332 17.792 19.000 0.207 0.000 0.831 721 A HN 0.611 nan 8.150 nan 0.000 0.450 722 Y N 0.511 120.794 120.300 -0.028 0.000 2.128 722 Y HA -0.262 4.288 4.550 0.000 0.000 0.284 722 Y C 2.461 178.387 175.900 0.043 0.000 1.154 722 Y CA 2.540 60.624 58.100 -0.026 0.000 1.149 722 Y CB -0.195 37.995 38.460 -0.449 0.000 0.976 722 Y HN 0.354 nan 8.280 nan 0.000 0.505 723 K N -0.877 119.488 120.400 -0.058 0.000 2.147 723 K HA -0.171 4.150 4.320 0.001 0.000 0.205 723 K C 1.096 177.563 176.600 -0.222 0.000 1.049 723 K CA 1.488 57.646 56.287 -0.214 0.000 0.936 723 K CB -0.343 31.886 32.500 -0.452 0.000 0.722 723 K HN 0.299 nan 8.250 nan 0.000 0.446 724 F N -0.085 119.819 119.950 -0.076 0.000 2.732 724 F HA 0.262 4.790 4.527 0.000 0.000 0.303 724 F C 1.431 177.108 175.800 -0.205 0.000 1.110 724 F CA 0.331 58.265 58.000 -0.109 0.000 1.355 724 F CB 0.485 39.453 39.000 -0.054 0.000 1.081 724 F HN 0.300 nan 8.300 nan 0.000 0.565 725 G N 0.072 108.755 108.800 -0.196 0.000 2.157 725 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 725 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 725 G C 0.198 174.937 174.900 -0.269 0.000 0.979 725 G CA 0.089 44.845 45.100 -0.574 0.000 0.650 725 G HN 0.109 nan 8.290 nan 0.000 0.529 726 V N 1.175 121.079 119.914 -0.018 0.000 2.617 726 V HA 0.085 4.206 4.120 0.001 0.000 0.304 726 V C 1.712 177.913 176.094 0.179 0.000 1.040 726 V CA 1.350 63.698 62.300 0.080 0.000 1.149 726 V CB 1.131 33.026 31.823 0.120 0.000 0.914 726 V HN 0.440 nan 8.190 nan 0.000 0.487 727 K N 2.313 122.798 120.400 0.143 0.000 2.166 727 K HA 0.091 4.411 4.320 0.001 0.000 0.201 727 K C 0.685 177.385 176.600 0.167 0.000 1.052 727 K CA 1.042 57.432 56.287 0.172 0.000 0.969 727 K CB 0.269 32.843 32.500 0.123 0.000 0.761 727 K HN 0.875 nan 8.250 nan 0.000 0.459 728 T N -1.306 113.334 114.554 0.143 0.000 2.896 728 T HA 0.651 5.002 4.350 0.001 0.000 0.297 728 T C -0.451 174.338 174.700 0.148 0.000 1.108 728 T CA -0.980 61.209 62.100 0.147 0.000 1.004 728 T CB 1.785 70.713 68.868 0.100 0.000 1.159 728 T HN -0.106 nan 8.240 nan 0.000 0.499 732 Q N 2.971 123.022 119.800 0.417 0.000 2.290 732 Q HA 0.470 4.810 4.340 0.001 0.000 0.259 732 Q C -1.206 174.962 176.000 0.280 0.000 0.941 732 Q CA -0.668 55.334 55.803 0.332 0.000 0.912 732 Q CB 0.826 29.743 28.738 0.298 0.000 1.244 732 Q HN 0.611 nan 8.270 nan 0.000 0.441 733 N N 2.936 121.807 118.700 0.286 0.000 2.425 733 N HA 0.274 5.015 4.740 0.001 0.000 0.268 733 N C -1.268 174.513 175.510 0.452 0.000 0.991 733 N CA -0.178 53.056 53.050 0.308 0.000 0.931 733 N CB 1.821 40.468 38.487 0.268 0.000 1.130 733 N HN 0.432 nan 8.380 nan 0.000 0.493 734 T N 0.952 115.695 114.554 0.315 0.000 2.758 734 T HA 0.282 4.633 4.350 0.001 0.000 0.285 734 T C 0.634 175.373 174.700 0.065 0.000 0.981 734 T CA -0.715 61.517 62.100 0.221 0.000 0.965 734 T CB 1.663 70.600 68.868 0.116 0.000 0.927 734 T HN 0.277 nan 8.240 nan 0.000 0.448 735 R N 2.345 122.693 120.500 -0.253 0.000 2.543 735 R HA 0.134 4.474 4.340 0.001 0.000 0.277 735 R C -0.532 175.589 176.300 -0.299 0.000 1.074 735 R CA -0.353 55.389 56.100 -0.595 0.000 1.076 735 R CB 0.274 29.655 30.300 -1.532 0.000 0.993 735 R HN 0.741 nan 8.270 nan 0.000 0.459 736 D N 2.692 122.964 120.400 -0.214 0.000 2.500 736 D HA 0.456 5.097 4.640 0.001 0.000 0.219 736 D C 0.050 176.255 176.300 -0.158 0.000 1.137 736 D CA -0.323 53.594 54.000 -0.138 0.000 0.946 736 D CB 1.299 42.058 40.800 -0.069 0.000 1.022 736 D HN 0.769 nan 8.370 nan 0.000 0.518 737 G N 0.000 108.693 108.800 -0.179 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.008 45.100 -0.153 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925