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 2xay_1_C 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 RQSNLALEIA 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 0.000 175.511 175.510 0.001 0.000 1.280 4 N CA 0.000 53.054 53.050 0.007 0.000 0.885 4 N CB 0.000 38.492 38.487 0.008 0.000 1.341 5 L N 1.337 122.561 121.223 0.002 0.000 2.768 5 L HA -0.146 4.194 4.340 -0.000 0.000 0.566 5 L C -1.638 175.203 176.870 -0.048 0.000 1.001 5 L CA 0.087 54.918 54.840 -0.016 0.000 1.287 5 L CB -0.409 41.644 42.059 -0.011 0.000 1.674 5 L HN 0.285 nan 8.230 nan 0.000 0.827 6 L N 4.579 125.767 121.223 -0.059 0.000 2.342 6 L HA 0.840 5.180 4.340 -0.000 0.000 0.271 6 L C -0.367 176.429 176.870 -0.124 0.000 1.008 6 L CA -0.869 53.927 54.840 -0.073 0.000 0.818 6 L CB 2.082 44.117 42.059 -0.040 0.000 1.296 6 L HN 0.213 nan 8.230 nan 0.000 0.427 7 V N 0.452 120.288 119.914 -0.130 0.000 2.540 7 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 7 V C -0.132 175.890 176.094 -0.120 0.000 1.035 7 V CA -0.628 61.569 62.300 -0.173 0.000 0.873 7 V CB 2.006 33.705 31.823 -0.206 0.000 0.992 7 V HN 0.715 nan 8.190 nan 0.000 0.428 8 T N 5.579 120.062 114.554 -0.117 0.000 2.727 8 T HA 0.223 4.573 4.350 -0.000 0.000 0.295 8 T C 0.350 175.003 174.700 -0.079 0.000 0.915 8 T CA -0.318 61.736 62.100 -0.075 0.000 1.066 8 T CB 0.064 68.902 68.868 -0.050 0.000 0.891 8 T HN 0.426 nan 8.240 nan 0.000 0.516 9 K N 2.498 122.862 120.400 -0.060 0.000 2.187 9 K HA 0.178 4.498 4.320 -0.000 0.000 0.247 9 K C 1.610 178.189 176.600 -0.035 0.000 1.019 9 K CA -0.510 55.747 56.287 -0.049 0.000 0.893 9 K CB 0.443 32.923 32.500 -0.033 0.000 1.025 9 K HN 0.397 nan 8.250 nan 0.000 0.500 10 R N 1.471 121.957 120.500 -0.024 0.000 2.154 10 R HA -0.208 4.132 4.340 -0.000 0.000 0.248 10 R C 1.470 177.765 176.300 -0.008 0.000 1.155 10 R CA 2.293 58.386 56.100 -0.012 0.000 0.979 10 R CB -0.600 29.699 30.300 -0.001 0.000 0.869 10 R HN 0.763 nan 8.270 nan 0.000 0.452 11 D N -2.562 117.833 120.400 -0.008 0.000 2.214 11 D HA 0.049 4.689 4.640 -0.000 0.000 0.217 11 D C 1.372 177.668 176.300 -0.006 0.000 0.973 11 D CA 1.078 55.075 54.000 -0.005 0.000 0.880 11 D CB -0.098 40.700 40.800 -0.004 0.000 1.031 11 D HN 0.224 nan 8.370 nan 0.000 0.468 12 G N -0.580 108.215 108.800 -0.010 0.000 4.080 12 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.219 12 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.219 12 G C 0.215 175.108 174.900 -0.011 0.000 0.843 12 G CA 0.126 45.221 45.100 -0.008 0.000 0.856 12 G HN 0.564 nan 8.290 nan 0.000 0.616 13 S N 0.637 116.329 115.700 -0.013 0.000 2.600 13 S HA 0.634 5.104 4.470 -0.000 0.000 0.265 13 S C 0.254 174.840 174.600 -0.023 0.000 1.325 13 S CA 0.620 58.811 58.200 -0.015 0.000 1.002 13 S CB 1.593 64.786 63.200 -0.013 0.000 0.921 13 S HN 1.284 nan 8.310 nan 0.000 0.554 14 T N -0.990 113.551 114.554 -0.022 0.000 2.863 14 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 14 T C -0.971 173.711 174.700 -0.031 0.000 1.009 14 T CA -0.727 61.355 62.100 -0.031 0.000 0.989 14 T CB 1.650 70.501 68.868 -0.027 0.000 1.004 14 T HN 0.676 nan 8.240 nan 0.000 0.455 15 E N 1.267 121.443 120.200 -0.041 0.000 2.408 15 E HA 0.391 4.741 4.350 -0.000 0.000 0.275 15 E C -0.493 176.079 176.600 -0.047 0.000 0.935 15 E CA -0.947 55.431 56.400 -0.036 0.000 0.775 15 E CB 2.658 32.339 29.700 -0.032 0.000 1.277 15 E HN 0.703 nan 8.360 nan 0.000 0.455 16 R N 0.948 121.426 120.500 -0.037 0.000 2.756 16 R HA 0.100 4.440 4.340 -0.000 0.000 0.264 16 R C 0.753 177.017 176.300 -0.059 0.000 1.026 16 R CA -0.040 56.035 56.100 -0.041 0.000 1.121 16 R CB 0.375 30.659 30.300 -0.026 0.000 0.999 16 R HN 0.402 nan 8.270 nan 0.000 0.449 17 I N 2.547 123.074 120.570 -0.073 0.000 2.648 17 I HA -0.088 4.082 4.170 -0.000 0.000 0.284 17 I C -0.187 175.892 176.117 -0.063 0.000 1.153 17 I CA 0.279 61.518 61.300 -0.102 0.000 1.426 17 I CB 0.605 38.526 38.000 -0.131 0.000 1.381 17 I HN 0.568 nan 8.210 nan 0.000 0.571 18 N N 7.644 126.307 118.700 -0.062 0.000 2.817 18 N HA 0.206 4.946 4.740 -0.000 0.000 0.234 18 N C 0.766 176.277 175.510 0.002 0.000 1.066 18 N CA -0.278 52.760 53.050 -0.020 0.000 0.926 18 N CB 0.390 38.873 38.487 -0.007 0.000 1.176 18 N HN 0.611 nan 8.380 nan 0.000 0.506 19 L N 0.611 121.844 121.223 0.016 0.000 2.131 19 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 19 L C 1.207 178.144 176.870 0.112 0.000 1.092 19 L CA 0.907 55.788 54.840 0.068 0.000 0.759 19 L CB 0.022 42.129 42.059 0.080 0.000 0.903 19 L HN 0.330 nan 8.230 nan 0.000 0.435 20 D N -0.216 120.228 120.400 0.072 0.000 2.149 20 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 20 D C 2.171 178.535 176.300 0.107 0.000 0.972 20 D CA 0.837 54.886 54.000 0.082 0.000 0.835 20 D CB -0.007 40.817 40.800 0.040 0.000 0.966 20 D HN 0.087 nan 8.370 nan 0.000 0.476 21 K N 0.892 121.334 120.400 0.071 0.000 2.148 21 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 21 K C 2.140 178.771 176.600 0.052 0.000 1.050 21 K CA 0.385 56.703 56.287 0.052 0.000 0.942 21 K CB -0.192 32.332 32.500 0.039 0.000 0.724 21 K HN 0.187 nan 8.250 nan 0.000 0.446 22 I N 0.089 120.713 120.570 0.091 0.000 2.252 22 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 22 I C 2.476 178.667 176.117 0.123 0.000 1.102 22 I CA 1.367 62.735 61.300 0.113 0.000 1.385 22 I CB -0.383 37.729 38.000 0.186 0.000 1.064 22 I HN 0.288 nan 8.210 nan 0.000 0.414 23 H N 1.061 120.180 119.070 0.081 0.000 2.353 23 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 23 H C 2.356 177.703 175.328 0.033 0.000 1.090 23 H CA 1.817 57.904 56.048 0.065 0.000 1.327 23 H CB 0.083 29.884 29.762 0.064 0.000 1.383 23 H HN 0.008 nan 8.280 nan 0.000 0.508 24 R N -0.435 120.105 120.500 0.067 0.000 2.073 24 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 24 R C 2.502 178.768 176.300 -0.057 0.000 1.134 24 R CA 1.383 57.486 56.100 0.005 0.000 0.952 24 R CB -0.470 29.841 30.300 0.020 0.000 0.850 24 R HN 0.212 nan 8.270 nan 0.000 0.433 25 V N 0.883 120.720 119.914 -0.127 0.000 2.332 25 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 25 V C 2.225 178.325 176.094 0.009 0.000 1.055 25 V CA 1.770 63.949 62.300 -0.203 0.000 1.038 25 V CB -0.505 31.010 31.823 -0.515 0.000 0.651 25 V HN 0.277 nan 8.190 nan 0.000 0.450 26 L N -0.039 121.145 121.223 -0.066 0.000 1.994 26 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 26 L C 2.423 179.221 176.870 -0.120 0.000 1.071 26 L CA 2.258 57.050 54.840 -0.080 0.000 0.745 26 L CB -0.684 41.312 42.059 -0.106 0.000 0.892 26 L HN 0.391 nan 8.230 nan 0.000 0.431 27 D N -0.876 119.402 120.400 -0.204 0.000 2.133 27 D HA -0.294 4.345 4.640 -0.000 0.000 0.195 27 D C 1.901 178.176 176.300 -0.041 0.000 0.997 27 D CA 1.487 55.395 54.000 -0.153 0.000 0.840 27 D CB -0.145 40.558 40.800 -0.161 0.000 0.947 27 D HN 0.376 nan 8.370 nan 0.000 0.452 28 W N 1.214 122.411 121.300 -0.171 0.000 2.354 28 W HA -0.127 4.533 4.660 -0.000 0.000 0.315 28 W C 2.206 178.654 176.519 -0.119 0.000 1.206 28 W CA 2.326 59.584 57.345 -0.146 0.000 1.290 28 W CB -0.732 28.609 29.460 -0.197 0.000 1.152 28 W HN 0.010 nan 8.180 nan 0.000 0.489 29 A N 0.785 123.394 122.820 -0.351 0.000 1.972 29 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 29 A C 2.067 179.410 177.584 -0.401 0.000 1.169 29 A CA 2.282 53.953 52.037 -0.609 0.000 0.635 29 A CB -1.444 17.415 19.000 -0.235 0.000 0.810 29 A HN 0.526 nan 8.150 nan 0.000 0.446 30 A N -0.673 121.989 122.820 -0.264 0.000 2.169 30 A HA 0.191 4.511 4.320 -0.000 0.000 0.212 30 A C 0.911 178.358 177.584 -0.228 0.000 1.153 30 A CA 0.542 52.446 52.037 -0.222 0.000 0.756 30 A CB -0.252 18.644 19.000 -0.173 0.000 0.813 30 A HN 0.441 nan 8.150 nan 0.000 0.471 31 E N -0.259 119.794 120.200 -0.245 0.000 2.558 31 E HA 0.303 4.652 4.350 -0.000 0.000 0.255 31 E C 1.305 177.773 176.600 -0.219 0.000 0.968 31 E CA 1.256 57.536 56.400 -0.201 0.000 0.939 31 E CB -0.252 29.337 29.700 -0.184 0.000 0.921 31 E HN 0.747 nan 8.360 nan 0.000 0.477 32 G N 3.325 112.002 108.800 -0.204 0.000 2.225 32 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 32 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 32 G C 0.247 174.888 174.900 -0.431 0.000 0.988 32 G CA 0.317 45.265 45.100 -0.254 0.000 0.625 32 G HN 0.447 nan 8.290 nan 0.000 0.527 33 L N -0.172 120.815 121.223 -0.392 0.000 2.454 33 L HA 0.712 5.052 4.340 -0.000 0.000 0.256 33 L C 0.647 177.191 176.870 -0.543 0.000 1.136 33 L CA -0.919 53.664 54.840 -0.428 0.000 0.804 33 L CB 0.776 42.678 42.059 -0.262 0.000 1.181 33 L HN 0.260 nan 8.230 nan 0.000 0.469 34 H N -0.196 118.821 119.070 -0.089 0.000 2.717 34 H HA 0.249 4.805 4.556 -0.000 0.000 0.366 34 H C -0.205 175.060 175.328 -0.105 0.000 1.132 34 H CA -0.705 55.297 56.048 -0.077 0.000 1.180 34 H CB 1.327 31.067 29.762 -0.037 0.000 1.678 34 H HN 0.612 nan 8.280 nan 0.000 0.537 35 N N 0.251 118.981 118.700 0.049 0.000 2.782 35 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 35 N C -1.065 174.384 175.510 -0.102 0.000 1.101 35 N CA 0.980 54.028 53.050 -0.003 0.000 0.764 35 N CB -0.934 37.569 38.487 0.027 0.000 1.122 35 N HN 0.376 nan 8.380 nan 0.000 0.561 36 V N -2.777 117.001 119.914 -0.228 0.000 2.547 36 V HA 0.822 4.942 4.120 -0.000 0.000 0.299 36 V C 0.393 176.401 176.094 -0.143 0.000 1.040 36 V CA -0.388 61.630 62.300 -0.471 0.000 0.913 36 V CB 2.024 33.333 31.823 -0.857 0.000 0.992 36 V HN 0.178 nan 8.190 nan 0.000 0.449 37 S N 3.864 119.597 115.700 0.055 0.000 2.520 37 S HA 0.523 4.993 4.470 -0.000 0.000 0.324 37 S C 0.797 175.447 174.600 0.083 0.000 1.069 37 S CA -0.723 57.525 58.200 0.080 0.000 1.121 37 S CB 0.512 63.777 63.200 0.108 0.000 0.971 37 S HN 0.728 nan 8.310 nan 0.000 0.463 38 I N 3.977 124.558 120.570 0.019 0.000 2.208 38 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 38 I C 2.685 178.808 176.117 0.010 0.000 1.097 38 I CA 1.689 62.989 61.300 0.001 0.000 1.363 38 I CB -0.338 37.631 38.000 -0.052 0.000 1.051 38 I HN 0.783 nan 8.210 nan 0.000 0.413 39 S N -0.111 115.601 115.700 0.020 0.000 2.402 39 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 39 S C 2.027 176.600 174.600 -0.045 0.000 1.021 39 S CA 0.692 58.888 58.200 -0.006 0.000 0.974 39 S CB -0.274 62.933 63.200 0.011 0.000 0.800 39 S HN 0.360 nan 8.310 nan 0.000 0.484 40 Q N 1.189 120.981 119.800 -0.013 0.000 2.096 40 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 40 Q C 2.453 178.413 176.000 -0.066 0.000 0.982 40 Q CA 1.626 57.410 55.803 -0.032 0.000 0.850 40 Q CB -0.968 27.774 28.738 0.006 0.000 0.901 40 Q HN 0.573 nan 8.270 nan 0.000 0.422 41 V N 0.991 120.885 119.914 -0.033 0.000 2.407 41 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 41 V C 2.104 178.129 176.094 -0.115 0.000 1.055 41 V CA 1.782 64.054 62.300 -0.047 0.000 1.049 41 V CB -0.466 31.372 31.823 0.026 0.000 0.662 41 V HN 0.382 nan 8.190 nan 0.000 0.455 42 E N 0.161 120.248 120.200 -0.188 0.000 2.051 42 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 42 E C 2.249 178.507 176.600 -0.572 0.000 0.991 42 E CA 1.318 57.406 56.400 -0.519 0.000 0.799 42 E CB -0.241 29.156 29.700 -0.506 0.000 0.748 42 E HN 0.483 nan 8.360 nan 0.000 0.449 43 L N 0.554 121.593 121.223 -0.305 0.000 1.989 43 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 43 L C 2.602 179.368 176.870 -0.172 0.000 1.071 43 L CA 1.444 56.162 54.840 -0.204 0.000 0.749 43 L CB -0.368 41.618 42.059 -0.121 0.000 0.890 43 L HN 0.025 nan 8.230 nan 0.000 0.431 44 R N -0.324 120.085 120.500 -0.151 0.000 2.120 44 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 44 R C 2.518 178.732 176.300 -0.144 0.000 1.123 44 R CA 1.627 57.652 56.100 -0.126 0.000 0.975 44 R CB -0.285 29.948 30.300 -0.113 0.000 0.866 44 R HN 0.530 nan 8.270 nan 0.000 0.446 45 S N -0.970 114.623 115.700 -0.177 0.000 2.441 45 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 45 S C 1.681 175.884 174.600 -0.663 0.000 1.043 45 S CA 0.213 58.271 58.200 -0.237 0.000 0.948 45 S CB -0.377 62.791 63.200 -0.052 0.000 0.810 45 S HN 0.410 nan 8.310 nan 0.000 0.504 46 H N 0.536 119.121 119.070 -0.809 0.000 2.387 46 H HA 0.045 4.601 4.556 -0.000 0.000 0.299 46 H C 1.977 176.926 175.328 -0.632 0.000 1.090 46 H CA 1.218 56.635 56.048 -1.053 0.000 1.332 46 H CB -0.128 29.414 29.762 -0.367 0.000 1.386 46 H HN 0.317 nan 8.280 nan 0.000 0.516 47 I N 1.522 121.959 120.570 -0.222 0.000 2.567 47 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 47 I C 1.689 177.765 176.117 -0.068 0.000 1.184 47 I CA 1.404 62.643 61.300 -0.102 0.000 1.451 47 I CB -0.113 37.846 38.000 -0.067 0.000 1.089 47 I HN 0.242 nan 8.210 nan 0.000 0.441 48 Q N -0.858 118.860 119.800 -0.138 0.000 2.392 48 Q HA 0.077 4.416 4.340 -0.000 0.000 0.203 48 Q C -0.103 176.038 176.000 0.234 0.000 0.917 48 Q CA -0.127 55.695 55.803 0.033 0.000 0.939 48 Q CB 0.146 28.901 28.738 0.028 0.000 1.063 48 Q HN 0.238 nan 8.270 nan 0.000 0.516 49 F N 1.297 121.285 119.950 0.063 0.000 2.459 49 F HA 0.194 4.721 4.527 -0.000 0.000 0.346 49 F C 0.131 175.960 175.800 0.049 0.000 1.128 49 F CA -1.413 56.560 58.000 -0.044 0.000 1.268 49 F CB -0.094 38.833 39.000 -0.122 0.000 1.161 49 F HN -0.029 nan 8.300 nan 0.000 0.583 50 Y N -1.641 118.769 120.300 0.184 0.000 2.524 50 Y HA 0.382 4.932 4.550 0.000 0.000 0.347 50 Y C -0.570 175.353 175.900 0.040 0.000 1.005 50 Y CA -1.839 56.315 58.100 0.089 0.000 1.025 50 Y CB 0.609 39.107 38.460 0.063 0.000 1.275 50 Y HN 0.524 nan 8.280 nan 0.000 0.460 51 D N 1.563 122.062 120.400 0.164 0.000 2.426 51 D HA 0.306 4.946 4.640 -0.000 0.000 0.261 51 D C 1.040 177.404 176.300 0.108 0.000 1.245 51 D CA 2.592 56.636 54.000 0.073 0.000 0.917 51 D CB 0.526 41.370 40.800 0.074 0.000 1.123 51 D HN 1.095 nan 8.370 nan 0.000 0.508 52 G N 4.086 112.876 108.800 -0.017 0.000 2.316 52 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.203 52 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.203 52 G C 0.761 175.602 174.900 -0.099 0.000 0.999 52 G CA -0.148 44.958 45.100 0.010 0.000 0.649 52 G HN 0.622 nan 8.290 nan 0.000 0.489 53 I N 3.092 123.397 120.570 -0.442 0.000 2.989 53 I HA 0.159 4.329 4.170 -0.000 0.000 0.311 53 I C 1.260 177.178 176.117 -0.331 0.000 1.221 53 I CA 0.515 61.410 61.300 -0.675 0.000 1.449 53 I CB 0.364 37.726 38.000 -1.064 0.000 1.325 53 I HN 0.430 nan 8.210 nan 0.000 0.557 54 K N 4.599 124.880 120.400 -0.198 0.000 2.107 54 K HA 0.163 4.483 4.320 -0.000 0.000 0.251 54 K C 0.646 177.114 176.600 -0.220 0.000 1.012 54 K CA -0.633 55.561 56.287 -0.155 0.000 0.920 54 K CB 0.955 33.413 32.500 -0.070 0.000 1.033 54 K HN 0.572 nan 8.250 nan 0.000 0.478 55 T N 0.379 114.806 114.554 -0.212 0.000 2.788 55 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 55 T C 1.930 176.372 174.700 -0.429 0.000 1.044 55 T CA 2.042 63.954 62.100 -0.314 0.000 1.139 55 T CB -0.363 68.367 68.868 -0.229 0.000 0.867 55 T HN 0.805 nan 8.240 nan 0.000 0.454 56 S N 0.903 116.474 115.700 -0.215 0.000 2.402 56 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 56 S C 1.688 176.216 174.600 -0.120 0.000 1.021 56 S CA 0.984 59.130 58.200 -0.089 0.000 0.974 56 S CB -0.327 62.932 63.200 0.099 0.000 0.800 56 S HN 0.392 nan 8.310 nan 0.000 0.484 57 D N 1.782 122.116 120.400 -0.111 0.000 2.183 57 D HA 0.098 4.738 4.640 -0.000 0.000 0.203 57 D C 1.893 178.153 176.300 -0.067 0.000 0.969 57 D CA 0.743 54.708 54.000 -0.058 0.000 0.842 57 D CB -0.307 40.479 40.800 -0.024 0.000 0.957 57 D HN 0.436 nan 8.370 nan 0.000 0.484 58 I N 0.491 120.936 120.570 -0.208 0.000 2.163 58 I HA -0.295 3.874 4.170 -0.000 0.000 0.243 58 I C 2.187 178.334 176.117 0.050 0.000 1.085 58 I CA 1.255 62.432 61.300 -0.205 0.000 1.347 58 I CB -0.407 37.288 38.000 -0.508 0.000 1.044 58 I HN 0.158 nan 8.210 nan 0.000 0.408 59 H N 0.626 119.655 119.070 -0.068 0.000 2.319 59 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 59 H C 2.220 177.474 175.328 -0.123 0.000 1.092 59 H CA 1.228 57.217 56.048 -0.098 0.000 1.302 59 H CB 0.082 29.698 29.762 -0.244 0.000 1.373 59 H HN 0.359 nan 8.280 nan 0.000 0.497 60 E N 0.392 120.569 120.200 -0.037 0.000 2.110 60 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 60 E C 2.192 178.832 176.600 0.067 0.000 0.988 60 E CA 1.234 57.632 56.400 -0.004 0.000 0.804 60 E CB -0.508 29.197 29.700 0.009 0.000 0.745 60 E HN 0.463 nan 8.360 nan 0.000 0.458 61 T N 3.035 117.655 114.554 0.111 0.000 2.684 61 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 61 T C 2.196 176.973 174.700 0.128 0.000 1.036 61 T CA 1.621 63.809 62.100 0.146 0.000 1.148 61 T CB -0.400 68.629 68.868 0.268 0.000 0.863 61 T HN 0.401 nan 8.240 nan 0.000 0.436 62 I N -0.432 120.244 120.570 0.176 0.000 2.315 62 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 62 I C 2.204 178.360 176.117 0.064 0.000 1.117 62 I CA 1.503 62.886 61.300 0.139 0.000 1.404 62 I CB -0.621 37.496 38.000 0.194 0.000 1.071 62 I HN 0.164 nan 8.210 nan 0.000 0.419 63 I N 1.680 122.289 120.570 0.065 0.000 2.127 63 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 63 I C 2.829 178.907 176.117 -0.064 0.000 1.075 63 I CA 1.914 63.230 61.300 0.027 0.000 1.334 63 I CB -0.478 37.583 38.000 0.102 0.000 1.040 63 I HN 0.251 nan 8.210 nan 0.000 0.405 64 K N 1.036 121.427 120.400 -0.015 0.000 2.097 64 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 64 K C 2.188 178.735 176.600 -0.088 0.000 1.049 64 K CA 1.371 57.632 56.287 -0.043 0.000 0.933 64 K CB -0.120 32.389 32.500 0.016 0.000 0.717 64 K HN 0.317 nan 8.250 nan 0.000 0.442 65 A N 0.925 123.709 122.820 -0.060 0.000 1.908 65 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 65 A C 2.277 179.773 177.584 -0.147 0.000 1.181 65 A CA 1.981 53.965 52.037 -0.088 0.000 0.627 65 A CB -0.728 18.238 19.000 -0.057 0.000 0.818 65 A HN 0.477 nan 8.150 nan 0.000 0.445 66 A N -0.425 122.321 122.820 -0.124 0.000 1.898 66 A HA 0.300 4.619 4.320 -0.000 0.000 0.214 66 A C 2.492 179.937 177.584 -0.231 0.000 1.183 66 A CA 1.682 53.648 52.037 -0.118 0.000 0.622 66 A CB -0.966 18.041 19.000 0.013 0.000 0.824 66 A HN 1.011 nan 8.150 nan 0.000 0.444 67 A N 0.459 123.079 122.820 -0.334 0.000 1.883 67 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 67 A C 1.669 179.099 177.584 -0.255 0.000 1.186 67 A CA 1.979 53.751 52.037 -0.443 0.000 0.624 67 A CB -0.719 17.900 19.000 -0.635 0.000 0.822 67 A HN 0.425 nan 8.150 nan 0.000 0.444 68 D N -0.333 119.939 120.400 -0.212 0.000 2.311 68 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 68 D C 1.368 177.527 176.300 -0.234 0.000 0.972 68 D CA 0.800 54.696 54.000 -0.174 0.000 0.887 68 D CB -0.189 40.529 40.800 -0.138 0.000 0.915 68 D HN 0.483 nan 8.370 nan 0.000 0.497 69 L N 0.287 121.280 121.223 -0.382 0.000 2.628 69 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 69 L C 0.586 177.223 176.870 -0.389 0.000 1.137 69 L CA -0.241 54.266 54.840 -0.554 0.000 0.909 69 L CB 0.277 41.623 42.059 -1.188 0.000 1.137 69 L HN -0.145 nan 8.230 nan 0.000 0.470 70 I N 0.796 121.249 120.570 -0.195 0.000 2.587 70 I HA -0.008 4.161 4.170 -0.000 0.000 0.284 70 I C 0.651 176.735 176.117 -0.054 0.000 1.134 70 I CA 0.543 61.817 61.300 -0.044 0.000 1.410 70 I CB 0.356 38.334 38.000 -0.037 0.000 1.392 70 I HN 0.226 nan 8.210 nan 0.000 0.545 71 S N 6.048 121.733 115.700 -0.024 0.000 2.656 71 S HA 0.448 4.918 4.470 -0.000 0.000 0.273 71 S C 0.678 175.207 174.600 -0.119 0.000 1.168 71 S CA -1.117 57.041 58.200 -0.070 0.000 0.817 71 S CB 1.667 64.831 63.200 -0.059 0.000 1.146 71 S HN 0.689 nan 8.310 nan 0.000 0.475 72 R N 0.654 121.019 120.500 -0.225 0.000 2.148 72 R HA -0.015 4.325 4.340 -0.000 0.000 0.227 72 R C 0.302 176.479 176.300 -0.205 0.000 1.103 72 R CA 1.531 57.354 56.100 -0.463 0.000 0.983 72 R CB -0.871 28.950 30.300 -0.799 0.000 0.874 72 R HN 0.710 nan 8.270 nan 0.000 0.451 73 D N 1.513 121.864 120.400 -0.082 0.000 2.194 73 D HA -0.008 4.632 4.640 -0.000 0.000 0.204 73 D C 0.439 176.759 176.300 0.034 0.000 0.964 73 D CA 1.142 55.139 54.000 -0.005 0.000 0.846 73 D CB 0.272 41.070 40.800 -0.004 0.000 0.962 73 D HN 0.361 nan 8.370 nan 0.000 0.490 74 A N 1.730 124.584 122.820 0.057 0.000 3.204 74 A HA 0.301 4.621 4.320 -0.000 0.000 0.327 74 A C -1.753 175.905 177.584 0.124 0.000 0.998 74 A CA -0.955 51.156 52.037 0.124 0.000 0.891 74 A CB 0.836 20.009 19.000 0.289 0.000 1.061 74 A HN -0.112 nan 8.150 nan 0.000 0.478 75 P HA -0.111 nan 4.420 nan 0.000 0.223 75 P C 0.193 177.544 177.300 0.085 0.000 1.151 75 P CA 1.020 64.156 63.100 0.060 0.000 0.787 75 P CB 0.264 32.013 31.700 0.081 0.000 0.788 76 D N -1.359 119.083 120.400 0.069 0.000 2.392 76 D HA -0.096 4.544 4.640 -0.000 0.000 0.228 76 D C 1.417 177.682 176.300 -0.059 0.000 1.003 76 D CA 0.566 54.601 54.000 0.058 0.000 0.917 76 D CB -0.755 40.030 40.800 -0.025 0.000 0.890 76 D HN 0.233 nan 8.370 nan 0.000 0.532 77 Y N 0.905 121.198 120.300 -0.013 0.000 2.439 77 Y HA -0.079 4.472 4.550 0.000 0.000 0.292 77 Y C 2.336 178.171 175.900 -0.108 0.000 1.130 77 Y CA 0.729 58.791 58.100 -0.064 0.000 1.254 77 Y CB -0.117 38.290 38.460 -0.088 0.000 1.000 77 Y HN 0.040 nan 8.280 nan 0.000 0.554 78 Q N -1.156 118.639 119.800 -0.009 0.000 2.112 78 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 78 Q C 1.477 177.330 176.000 -0.245 0.000 0.987 78 Q CA 2.088 57.785 55.803 -0.177 0.000 0.858 78 Q CB -0.311 28.178 28.738 -0.417 0.000 0.905 78 Q HN 0.580 nan 8.270 nan 0.000 0.420 79 Y N -0.782 119.541 120.300 0.039 0.000 2.397 79 Y HA -0.074 4.476 4.550 0.000 0.000 0.292 79 Y C 1.879 177.767 175.900 -0.019 0.000 1.115 79 Y CA 0.287 58.399 58.100 0.020 0.000 1.208 79 Y CB -0.176 38.270 38.460 -0.024 0.000 1.046 79 Y HN 0.088 nan 8.280 nan 0.000 0.552 80 L N 0.293 121.547 121.223 0.053 0.000 2.017 80 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 80 L C 2.381 179.267 176.870 0.028 0.000 1.073 80 L CA 2.055 56.887 54.840 -0.012 0.000 0.745 80 L CB -0.880 41.147 42.059 -0.054 0.000 0.894 80 L HN 0.128 nan 8.230 nan 0.000 0.432 81 A N -0.473 122.353 122.820 0.011 0.000 1.902 81 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 81 A C 2.461 180.143 177.584 0.162 0.000 1.181 81 A CA 1.762 53.762 52.037 -0.063 0.000 0.623 81 A CB -1.225 17.486 19.000 -0.481 0.000 0.818 81 A HN 0.588 nan 8.150 nan 0.000 0.443 82 A N 0.031 122.998 122.820 0.246 0.000 1.883 82 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 82 A C 2.259 180.023 177.584 0.301 0.000 1.186 82 A CA 1.770 54.007 52.037 0.332 0.000 0.624 82 A CB -0.491 18.685 19.000 0.292 0.000 0.822 82 A HN 0.575 nan 8.150 nan 0.000 0.444 83 R N -0.690 119.943 120.500 0.222 0.000 2.090 83 R HA 0.058 4.398 4.340 -0.000 0.000 0.228 83 R C 2.048 178.564 176.300 0.360 0.000 1.110 83 R CA 1.190 57.413 56.100 0.206 0.000 0.973 83 R CB -0.457 29.765 30.300 -0.129 0.000 0.869 83 R HN 0.506 nan 8.270 nan 0.000 0.440 84 L N 0.196 121.580 121.223 0.268 0.000 2.046 84 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 84 L C 2.674 179.757 176.870 0.356 0.000 1.077 84 L CA 1.279 56.297 54.840 0.296 0.000 0.747 84 L CB -0.558 41.596 42.059 0.159 0.000 0.896 84 L HN 0.232 nan 8.230 nan 0.000 0.432 85 A N 0.166 123.187 122.820 0.335 0.000 1.898 85 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 85 A C 2.217 179.998 177.584 0.328 0.000 1.181 85 A CA 1.213 53.455 52.037 0.342 0.000 0.620 85 A CB -0.509 18.695 19.000 0.341 0.000 0.819 85 A HN 0.242 nan 8.150 nan 0.000 0.442 86 I N -1.209 119.568 120.570 0.345 0.000 2.151 86 I HA -0.258 3.911 4.170 -0.000 0.000 0.243 86 I C 2.366 178.717 176.117 0.390 0.000 1.080 86 I CA 1.700 63.206 61.300 0.343 0.000 1.339 86 I CB -1.299 36.966 38.000 0.442 0.000 1.039 86 I HN 0.495 nan 8.210 nan 0.000 0.409 87 F N 1.385 121.566 119.950 0.386 0.000 2.102 87 F HA -0.288 4.238 4.527 -0.000 0.000 0.298 87 F C 2.866 178.765 175.800 0.165 0.000 1.105 87 F CA 2.170 60.371 58.000 0.335 0.000 1.239 87 F CB -0.552 38.585 39.000 0.227 0.000 0.991 87 F HN 0.169 nan 8.300 nan 0.000 0.474 88 H N 0.338 119.533 119.070 0.208 0.000 2.387 88 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 88 H C 1.932 177.259 175.328 -0.002 0.000 1.099 88 H CA 2.397 58.472 56.048 0.046 0.000 1.315 88 H CB -0.463 29.367 29.762 0.113 0.000 1.380 88 H HN 0.397 nan 8.280 nan 0.000 0.513 89 L N -0.536 120.622 121.223 -0.109 0.000 2.179 89 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 89 L C 2.634 179.333 176.870 -0.285 0.000 1.096 89 L CA 0.495 55.196 54.840 -0.232 0.000 0.779 89 L CB -0.218 41.779 42.059 -0.104 0.000 0.922 89 L HN 0.202 nan 8.230 nan 0.000 0.443 90 R N 0.699 121.072 120.500 -0.213 0.000 2.081 90 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 90 R C 2.151 178.290 176.300 -0.268 0.000 1.131 90 R CA 1.254 57.209 56.100 -0.242 0.000 0.960 90 R CB -0.442 29.734 30.300 -0.206 0.000 0.856 90 R HN 0.408 nan 8.270 nan 0.000 0.436 91 K N 0.756 120.987 120.400 -0.282 0.000 2.026 91 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 91 K C 2.193 178.682 176.600 -0.184 0.000 1.048 91 K CA 1.189 57.358 56.287 -0.197 0.000 0.929 91 K CB -0.126 32.297 32.500 -0.128 0.000 0.713 91 K HN 0.085 nan 8.250 nan 0.000 0.439 92 K N 0.271 120.504 120.400 -0.279 0.000 2.103 92 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 92 K C 2.033 178.483 176.600 -0.251 0.000 1.048 92 K CA 1.397 57.522 56.287 -0.269 0.000 0.930 92 K CB -0.019 32.256 32.500 -0.376 0.000 0.716 92 K HN 0.163 nan 8.250 nan 0.000 0.444 93 A N -0.530 122.057 122.820 -0.387 0.000 1.911 93 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 93 A C 1.198 178.584 177.584 -0.329 0.000 1.189 93 A CA 0.827 52.572 52.037 -0.488 0.000 0.639 93 A CB -0.083 18.354 19.000 -0.938 0.000 0.839 93 A HN 0.258 nan 8.150 nan 0.000 0.449 94 Y N -1.725 118.548 120.300 -0.045 0.000 2.426 94 Y HA 0.402 4.952 4.550 0.000 0.000 0.249 94 Y C 1.815 177.687 175.900 -0.047 0.000 1.103 94 Y CA -0.413 57.664 58.100 -0.039 0.000 1.256 94 Y CB -0.080 38.329 38.460 -0.085 0.000 1.208 94 Y HN 0.413 nan 8.280 nan 0.000 0.519 95 G N 0.867 109.696 108.800 0.049 0.000 2.162 95 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 95 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 95 G C 0.111 175.020 174.900 0.015 0.000 0.976 95 G CA 0.626 45.739 45.100 0.022 0.000 0.655 95 G HN 0.513 nan 8.290 nan 0.000 0.533 96 Q N -2.577 117.231 119.800 0.014 0.000 2.685 96 Q HA 0.664 5.004 4.340 -0.000 0.000 0.301 96 Q C 0.498 176.471 176.000 -0.044 0.000 0.924 96 Q CA -0.620 55.177 55.803 -0.010 0.000 0.755 96 Q CB 0.230 28.975 28.738 0.010 0.000 1.470 96 Q HN 0.525 nan 8.270 nan 0.000 0.434 97 F N 0.919 120.738 119.950 -0.217 0.000 2.187 97 F HA 0.172 4.699 4.527 -0.000 0.000 0.295 97 F C 0.725 176.439 175.800 -0.143 0.000 1.091 97 F CA 0.957 58.794 58.000 -0.271 0.000 1.308 97 F CB 0.414 39.235 39.000 -0.299 0.000 1.030 97 F HN 0.551 nan 8.300 nan 0.000 0.487 98 E N 3.081 123.161 120.200 -0.200 0.000 2.351 98 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 98 E C -2.259 174.092 176.600 -0.416 0.000 1.031 98 E CA -1.792 54.422 56.400 -0.310 0.000 0.911 98 E CB 0.451 30.089 29.700 -0.103 0.000 0.986 98 E HN 0.108 nan 8.360 nan 0.000 0.446 99 P HA 0.102 nan 4.420 nan 0.000 0.271 99 P C -2.316 174.679 177.300 -0.509 0.000 1.218 99 P CA -1.040 61.473 63.100 -0.980 0.000 0.780 99 P CB -0.014 30.861 31.700 -1.375 0.000 0.901 100 P HA 0.088 nan 4.420 nan 0.000 0.273 100 P C -0.531 176.787 177.300 0.029 0.000 1.250 100 P CA -0.243 62.779 63.100 -0.129 0.000 0.793 100 P CB 0.321 31.969 31.700 -0.086 0.000 1.011 101 A N 1.001 123.846 122.820 0.041 0.000 2.531 101 A HA -0.029 4.290 4.320 -0.000 0.000 0.236 101 A C 1.462 179.090 177.584 0.073 0.000 1.062 101 A CA -0.308 51.782 52.037 0.089 0.000 0.760 101 A CB -0.640 18.399 19.000 0.066 0.000 0.995 101 A HN 0.646 nan 8.150 nan 0.000 0.501 102 L N 2.578 123.863 121.223 0.105 0.000 1.997 102 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 102 L C 2.058 178.855 176.870 -0.122 0.000 1.074 102 L CA 2.725 57.540 54.840 -0.041 0.000 0.763 102 L CB -1.089 41.033 42.059 0.106 0.000 0.890 102 L HN 0.866 nan 8.230 nan 0.000 0.434 103 Y N 0.699 120.888 120.300 -0.184 0.000 2.128 103 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 103 Y C 2.383 178.109 175.900 -0.289 0.000 1.154 103 Y CA 2.221 60.114 58.100 -0.346 0.000 1.149 103 Y CB -0.507 37.838 38.460 -0.191 0.000 0.976 103 Y HN 0.388 nan 8.280 nan 0.000 0.505 104 D N -1.556 118.737 120.400 -0.177 0.000 2.144 104 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 104 D C 2.003 178.153 176.300 -0.251 0.000 0.984 104 D CA 1.823 55.688 54.000 -0.224 0.000 0.834 104 D CB -0.623 40.129 40.800 -0.079 0.000 0.955 104 D HN 0.533 nan 8.370 nan 0.000 0.465 105 H N 0.983 119.866 119.070 -0.312 0.000 2.293 105 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 105 H C 1.982 177.108 175.328 -0.337 0.000 1.082 105 H CA 1.730 57.582 56.048 -0.327 0.000 1.308 105 H CB -0.280 29.141 29.762 -0.569 0.000 1.375 105 H HN -0.103 nan 8.280 nan 0.000 0.495 106 V N -0.214 119.433 119.914 -0.445 0.000 2.295 106 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 106 V C 2.712 178.541 176.094 -0.440 0.000 1.049 106 V CA 1.497 63.571 62.300 -0.377 0.000 1.024 106 V CB -0.778 30.770 31.823 -0.457 0.000 0.648 106 V HN 0.333 nan 8.190 nan 0.000 0.447 107 V N -0.013 119.547 119.914 -0.591 0.000 2.282 107 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 107 V C 2.500 178.369 176.094 -0.375 0.000 1.057 107 V CA 2.547 64.538 62.300 -0.514 0.000 1.032 107 V CB -0.697 30.742 31.823 -0.639 0.000 0.645 107 V HN 0.545 nan 8.190 nan 0.000 0.447 108 K N -0.942 119.231 120.400 -0.380 0.000 2.097 108 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 108 K C 2.177 178.534 176.600 -0.406 0.000 1.049 108 K CA 1.486 57.574 56.287 -0.333 0.000 0.933 108 K CB -0.098 32.233 32.500 -0.281 0.000 0.717 108 K HN 0.289 nan 8.250 nan 0.000 0.442 109 M N 0.325 119.588 119.600 -0.562 0.000 2.254 109 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 109 M C 2.199 178.232 176.300 -0.445 0.000 1.066 109 M CA 0.905 55.781 55.300 -0.707 0.000 1.123 109 M CB -0.454 31.302 32.600 -1.406 0.000 1.388 109 M HN -0.022 nan 8.290 nan 0.000 0.425 110 V N 0.219 119.959 119.914 -0.290 0.000 2.307 110 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 110 V C 2.217 178.213 176.094 -0.163 0.000 1.045 110 V CA 1.725 63.932 62.300 -0.154 0.000 1.024 110 V CB -0.674 31.084 31.823 -0.108 0.000 0.651 110 V HN 0.369 nan 8.190 nan 0.000 0.449 111 E N -0.062 120.021 120.200 -0.196 0.000 2.086 111 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 111 E C 2.013 178.512 176.600 -0.169 0.000 1.012 111 E CA 1.963 58.262 56.400 -0.168 0.000 0.812 111 E CB -0.254 29.340 29.700 -0.178 0.000 0.743 111 E HN 0.562 nan 8.360 nan 0.000 0.453 112 M N -1.553 117.908 119.600 -0.232 0.000 2.618 112 M HA 0.171 4.651 4.480 -0.000 0.000 0.240 112 M C 1.118 177.298 176.300 -0.200 0.000 1.123 112 M CA 0.687 55.842 55.300 -0.242 0.000 1.060 112 M CB 0.690 33.064 32.600 -0.377 0.000 1.535 112 M HN 0.275 nan 8.290 nan 0.000 0.507 113 G N 0.880 109.583 108.800 -0.162 0.000 2.143 113 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 113 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 113 G C 0.884 175.736 174.900 -0.079 0.000 0.991 113 G CA 0.196 45.239 45.100 -0.094 0.000 0.689 113 G HN 0.340 nan 8.290 nan 0.000 0.522 114 K N -1.091 119.216 120.400 -0.155 0.000 2.308 114 K HA 0.224 4.544 4.320 -0.000 0.000 0.197 114 K C 0.342 176.978 176.600 0.059 0.000 1.049 114 K CA 0.510 56.728 56.287 -0.116 0.000 0.991 114 K CB 0.344 32.665 32.500 -0.299 0.000 0.836 114 K HN 0.425 nan 8.250 nan 0.000 0.500 115 Y N 1.551 121.812 120.300 -0.066 0.000 2.409 115 Y HA 0.216 4.766 4.550 -0.000 0.000 0.339 115 Y C 0.497 176.392 175.900 -0.009 0.000 1.033 115 Y CA -2.408 55.674 58.100 -0.030 0.000 1.094 115 Y CB 0.638 39.047 38.460 -0.084 0.000 1.210 115 Y HN -0.039 nan 8.280 nan 0.000 0.456 116 D N 2.462 122.989 120.400 0.212 0.000 2.525 116 D HA -0.112 4.528 4.640 -0.000 0.000 0.235 116 D C 0.959 177.320 176.300 0.101 0.000 1.137 116 D CA 0.324 54.428 54.000 0.174 0.000 0.868 116 D CB 0.790 41.769 40.800 0.299 0.000 1.180 116 D HN 0.794 nan 8.370 nan 0.000 0.465 117 N N 3.293 122.056 118.700 0.105 0.000 2.494 117 N HA -0.222 4.518 4.740 -0.000 0.000 0.182 117 N C 1.535 177.110 175.510 0.108 0.000 1.076 117 N CA 0.678 53.773 53.050 0.076 0.000 0.908 117 N CB -0.459 38.062 38.487 0.056 0.000 0.967 117 N HN 0.643 nan 8.380 nan 0.000 0.449 118 H N 0.689 119.834 119.070 0.126 0.000 2.457 118 H HA 0.008 4.564 4.556 -0.000 0.000 0.297 118 H C 2.106 177.553 175.328 0.200 0.000 1.092 118 H CA 1.008 57.142 56.048 0.144 0.000 1.309 118 H CB -0.476 29.375 29.762 0.148 0.000 1.382 118 H HN 0.117 nan 8.280 nan 0.000 0.535 119 L N -0.098 120.941 121.223 -0.307 0.000 2.042 119 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 119 L C 2.270 179.363 176.870 0.373 0.000 1.076 119 L CA 1.353 56.183 54.840 -0.017 0.000 0.749 119 L CB -0.251 41.801 42.059 -0.012 0.000 0.893 119 L HN 0.377 nan 8.230 nan 0.000 0.432 120 L N -1.369 120.016 121.223 0.270 0.000 2.341 120 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 120 L C 2.292 179.327 176.870 0.275 0.000 1.115 120 L CA 0.511 55.553 54.840 0.336 0.000 0.820 120 L CB -0.314 41.828 42.059 0.138 0.000 0.944 120 L HN 0.216 nan 8.230 nan 0.000 0.452 121 E N 0.356 120.675 120.200 0.199 0.000 2.047 121 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 121 E C 1.364 178.036 176.600 0.119 0.000 0.987 121 E CA 1.298 57.788 56.400 0.149 0.000 0.799 121 E CB 0.097 29.882 29.700 0.141 0.000 0.752 121 E HN 0.439 nan 8.360 nan 0.000 0.449 122 D N -1.029 119.445 120.400 0.123 0.000 2.323 122 D HA -0.022 4.618 4.640 -0.000 0.000 0.209 122 D C -0.282 175.816 176.300 -0.338 0.000 0.973 122 D CA 0.862 54.814 54.000 -0.079 0.000 0.874 122 D CB 0.211 40.980 40.800 -0.051 0.000 0.930 122 D HN 0.140 nan 8.370 nan 0.000 0.521 123 Y N -0.199 120.128 120.300 0.046 0.000 2.462 123 Y HA 0.273 4.823 4.550 -0.000 0.000 0.346 123 Y C 0.746 176.715 175.900 0.115 0.000 0.976 123 Y CA -1.204 56.851 58.100 -0.075 0.000 1.044 123 Y CB 1.656 39.784 38.460 -0.554 0.000 1.230 123 Y HN -0.312 nan 8.280 nan 0.000 0.455 124 T N -2.344 112.324 114.554 0.190 0.000 2.874 124 T HA 0.166 4.516 4.350 -0.000 0.000 0.281 124 T C 1.058 175.869 174.700 0.184 0.000 0.994 124 T CA -0.563 61.633 62.100 0.160 0.000 1.015 124 T CB 1.460 70.358 68.868 0.049 0.000 1.028 124 T HN 0.880 nan 8.240 nan 0.000 0.523 125 E N 0.440 120.611 120.200 -0.049 0.000 2.130 125 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 125 E C 1.627 178.119 176.600 -0.179 0.000 0.998 125 E CA 1.824 57.957 56.400 -0.446 0.000 0.806 125 E CB -0.049 29.166 29.700 -0.807 0.000 0.738 125 E HN 0.821 nan 8.360 nan 0.000 0.459 126 E N 0.517 120.658 120.200 -0.099 0.000 2.072 126 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 126 E C 1.929 178.499 176.600 -0.051 0.000 0.985 126 E CA 1.332 57.691 56.400 -0.070 0.000 0.801 126 E CB -0.055 29.615 29.700 -0.050 0.000 0.750 126 E HN 0.351 nan 8.360 nan 0.000 0.452 127 E N -0.160 120.023 120.200 -0.029 0.000 2.110 127 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 127 E C 1.681 178.172 176.600 -0.183 0.000 0.988 127 E CA 0.806 57.165 56.400 -0.069 0.000 0.804 127 E CB -0.191 29.523 29.700 0.022 0.000 0.745 127 E HN 0.201 nan 8.360 nan 0.000 0.458 128 F N 1.485 121.389 119.950 -0.078 0.000 2.134 128 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 128 F C 2.299 178.013 175.800 -0.143 0.000 1.097 128 F CA 1.145 59.084 58.000 -0.102 0.000 1.264 128 F CB -0.105 38.924 39.000 0.048 0.000 1.001 128 F HN -0.145 nan 8.300 nan 0.000 0.479 129 K N -0.103 120.320 120.400 0.038 0.000 2.103 129 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 129 K C 2.140 178.651 176.600 -0.148 0.000 1.048 129 K CA 1.486 57.747 56.287 -0.043 0.000 0.930 129 K CB -0.285 32.182 32.500 -0.055 0.000 0.716 129 K HN 0.365 nan 8.250 nan 0.000 0.444 130 Q N 0.077 119.749 119.800 -0.214 0.000 2.079 130 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 130 Q C 2.108 177.618 176.000 -0.818 0.000 0.974 130 Q CA 1.344 56.930 55.803 -0.361 0.000 0.840 130 Q CB 0.088 28.672 28.738 -0.257 0.000 0.898 130 Q HN 0.296 nan 8.270 nan 0.000 0.430 131 M N 0.080 119.223 119.600 -0.762 0.000 2.159 131 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 131 M C 1.537 177.469 176.300 -0.613 0.000 1.063 131 M CA 1.087 55.825 55.300 -0.937 0.000 1.110 131 M CB -0.171 32.135 32.600 -0.489 0.000 1.374 131 M HN 0.119 nan 8.290 nan 0.000 0.411 132 D N 0.106 120.317 120.400 -0.314 0.000 2.221 132 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 132 D C 1.922 178.122 176.300 -0.166 0.000 0.982 132 D CA 1.782 55.694 54.000 -0.147 0.000 0.857 132 D CB 0.015 40.803 40.800 -0.021 0.000 0.934 132 D HN 0.434 nan 8.370 nan 0.000 0.475 133 T N -2.377 112.031 114.554 -0.243 0.000 3.023 133 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 133 T C 1.825 176.553 174.700 0.047 0.000 1.093 133 T CA 0.365 62.405 62.100 -0.101 0.000 1.129 133 T CB -0.500 68.329 68.868 -0.064 0.000 0.899 133 T HN -0.048 nan 8.240 nan 0.000 0.491 134 F N 1.867 121.755 119.950 -0.103 0.000 2.259 134 F HA 0.386 4.913 4.527 -0.000 0.000 0.298 134 F C 1.368 177.086 175.800 -0.137 0.000 1.088 134 F CA -1.420 56.514 58.000 -0.110 0.000 1.358 134 F CB -1.107 37.797 39.000 -0.160 0.000 1.040 134 F HN 0.185 nan 8.300 nan 0.000 0.505 135 I N 1.681 122.171 120.570 -0.133 0.000 2.710 135 I HA -0.059 4.111 4.170 -0.000 0.000 0.286 135 I C -0.040 176.033 176.117 -0.073 0.000 1.181 135 I CA 0.383 61.535 61.300 -0.248 0.000 1.430 135 I CB 0.174 37.925 38.000 -0.414 0.000 1.367 135 I HN -0.066 nan 8.210 nan 0.000 0.577 136 D N 5.455 125.883 120.400 0.046 0.000 2.446 136 D HA 0.168 4.808 4.640 -0.000 0.000 0.251 136 D C 0.874 177.181 176.300 0.011 0.000 1.137 136 D CA -0.375 53.640 54.000 0.024 0.000 0.890 136 D CB 0.575 41.416 40.800 0.069 0.000 1.071 136 D HN 0.377 nan 8.370 nan 0.000 0.528 137 H N 1.895 120.999 119.070 0.057 0.000 2.521 137 H HA -0.062 4.494 4.556 -0.000 0.000 0.286 137 H C 0.580 175.966 175.328 0.098 0.000 1.034 137 H CA 0.749 56.810 56.048 0.022 0.000 1.278 137 H CB 0.493 30.192 29.762 -0.105 0.000 1.386 137 H HN 0.492 nan 8.280 nan 0.000 0.567 138 D N 0.603 121.131 120.400 0.213 0.000 2.264 138 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 138 D C 1.997 178.386 176.300 0.148 0.000 0.966 138 D CA 0.379 54.505 54.000 0.210 0.000 0.864 138 D CB 0.001 40.902 40.800 0.168 0.000 0.933 138 D HN 0.431 nan 8.370 nan 0.000 0.499 139 R N 0.648 121.201 120.500 0.088 0.000 2.241 139 R HA -0.088 4.252 4.340 -0.000 0.000 0.224 139 R C 0.980 177.291 176.300 0.018 0.000 1.101 139 R CA 0.623 56.710 56.100 -0.021 0.000 0.995 139 R CB -0.172 30.043 30.300 -0.142 0.000 0.870 139 R HN 0.141 nan 8.270 nan 0.000 0.463 140 D N 0.809 121.357 120.400 0.246 0.000 2.263 140 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 140 D C 1.403 177.976 176.300 0.456 0.000 0.971 140 D CA 1.005 55.306 54.000 0.501 0.000 0.867 140 D CB 0.029 41.112 40.800 0.472 0.000 0.929 140 D HN 0.033 nan 8.370 nan 0.000 0.492 141 M N -0.220 119.548 119.600 0.280 0.000 2.557 141 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 141 M C 1.719 178.107 176.300 0.148 0.000 1.086 141 M CA 0.805 56.228 55.300 0.205 0.000 1.096 141 M CB -0.475 32.197 32.600 0.120 0.000 1.424 141 M HN 0.025 nan 8.290 nan 0.000 0.488 142 T N -3.155 111.455 114.554 0.092 0.000 3.107 142 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 142 T C 0.401 175.238 174.700 0.228 0.000 1.096 142 T CA -0.318 61.821 62.100 0.065 0.000 1.012 142 T CB -0.414 68.464 68.868 0.016 0.000 0.977 142 T HN -0.024 nan 8.240 nan 0.000 0.527 143 F N 3.629 123.825 119.950 0.410 0.000 2.418 143 F HA 0.473 5.000 4.527 -0.000 0.000 0.341 143 F C 1.327 177.310 175.800 0.305 0.000 1.120 143 F CA -0.876 57.331 58.000 0.345 0.000 1.232 143 F CB 0.797 39.960 39.000 0.271 0.000 1.175 143 F HN 0.172 nan 8.300 nan 0.000 0.569 144 S N 2.189 118.069 115.700 0.301 0.000 2.672 144 S HA 0.167 4.637 4.470 -0.000 0.000 0.276 144 S C 0.753 175.376 174.600 0.039 0.000 1.207 144 S CA -0.617 57.514 58.200 -0.115 0.000 1.002 144 S CB 0.589 63.624 63.200 -0.275 0.000 0.998 144 S HN 0.644 nan 8.310 nan 0.000 0.542 145 Y N 1.947 122.166 120.300 -0.134 0.000 2.128 145 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 145 Y C 2.546 178.417 175.900 -0.048 0.000 1.154 145 Y CA 2.065 60.133 58.100 -0.054 0.000 1.149 145 Y CB -1.132 37.293 38.460 -0.058 0.000 0.976 145 Y HN 0.850 nan 8.280 nan 0.000 0.505 146 A N 0.241 122.979 122.820 -0.136 0.000 1.972 146 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 146 A C 2.453 179.915 177.584 -0.203 0.000 1.169 146 A CA 1.797 53.709 52.037 -0.209 0.000 0.635 146 A CB -1.445 17.500 19.000 -0.092 0.000 0.810 146 A HN 0.600 nan 8.150 nan 0.000 0.446 147 A N -0.458 122.292 122.820 -0.117 0.000 1.883 147 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 147 A C 2.211 179.661 177.584 -0.223 0.000 1.186 147 A CA 1.915 53.898 52.037 -0.090 0.000 0.624 147 A CB -0.954 18.125 19.000 0.131 0.000 0.822 147 A HN 0.428 nan 8.150 nan 0.000 0.444 148 V N 0.302 120.087 119.914 -0.215 0.000 2.427 148 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 148 V C 2.435 178.355 176.094 -0.290 0.000 1.051 148 V CA 2.024 64.170 62.300 -0.256 0.000 1.048 148 V CB -0.598 31.163 31.823 -0.104 0.000 0.666 148 V HN 0.389 nan 8.190 nan 0.000 0.456 149 K N -0.073 120.094 120.400 -0.389 0.000 2.097 149 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 149 K C 2.176 178.620 176.600 -0.261 0.000 1.050 149 K CA 1.073 57.156 56.287 -0.340 0.000 0.938 149 K CB -0.468 31.779 32.500 -0.423 0.000 0.718 149 K HN 0.447 nan 8.250 nan 0.000 0.442 150 Q N 0.648 120.273 119.800 -0.293 0.000 2.046 150 Q HA -0.009 4.330 4.340 -0.000 0.000 0.200 150 Q C 2.424 178.156 176.000 -0.447 0.000 0.975 150 Q CA 0.934 56.523 55.803 -0.356 0.000 0.836 150 Q CB -0.394 28.109 28.738 -0.393 0.000 0.896 150 Q HN 0.295 nan 8.270 nan 0.000 0.428 151 L N 0.794 121.773 121.223 -0.406 0.000 1.997 151 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 151 L C 2.568 179.349 176.870 -0.147 0.000 1.074 151 L CA 1.719 56.390 54.840 -0.281 0.000 0.763 151 L CB -0.533 41.339 42.059 -0.312 0.000 0.890 151 L HN 0.328 nan 8.230 nan 0.000 0.434 152 E N -0.217 119.889 120.200 -0.155 0.000 2.150 152 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 152 E C 2.083 178.640 176.600 -0.070 0.000 0.985 152 E CA 1.088 57.430 56.400 -0.097 0.000 0.814 152 E CB -0.036 29.609 29.700 -0.092 0.000 0.752 152 E HN 0.516 nan 8.360 nan 0.000 0.466 153 G N 1.067 109.812 108.800 -0.092 0.000 2.411 153 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 153 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 153 G C 1.425 176.321 174.900 -0.007 0.000 1.166 153 G CA 0.869 45.936 45.100 -0.056 0.000 0.802 153 G HN 0.296 nan 8.290 nan 0.000 0.533 154 K N -2.052 118.354 120.400 0.009 0.000 2.521 154 K HA 0.342 4.662 4.320 -0.000 0.000 0.213 154 K C 0.912 177.746 176.600 0.391 0.000 1.223 154 K CA -0.238 56.142 56.287 0.155 0.000 1.013 154 K CB 0.295 32.892 32.500 0.161 0.000 1.017 154 K HN 0.184 nan 8.250 nan 0.000 0.591 155 Y N 1.647 121.952 120.300 0.008 0.000 2.594 155 Y HA 0.368 4.918 4.550 -0.000 0.000 0.283 155 Y C 0.927 176.848 175.900 0.035 0.000 1.140 155 Y CA -0.966 57.148 58.100 0.024 0.000 1.261 155 Y CB 0.160 38.618 38.460 -0.004 0.000 1.358 155 Y HN -0.156 nan 8.280 nan 0.000 0.513 156 L N 1.140 122.472 121.223 0.181 0.000 2.453 156 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 156 L C -0.018 176.928 176.870 0.127 0.000 1.182 156 L CA -0.367 54.547 54.840 0.124 0.000 0.858 156 L CB 0.542 42.627 42.059 0.045 0.000 1.120 156 L HN -0.242 nan 8.230 nan 0.000 0.474 157 V N 4.140 124.165 119.914 0.185 0.000 2.585 157 V HA 0.079 4.199 4.120 -0.000 0.000 0.296 157 V C 0.291 176.473 176.094 0.147 0.000 1.035 157 V CA 0.132 62.558 62.300 0.211 0.000 1.084 157 V CB 0.767 32.774 31.823 0.307 0.000 0.953 157 V HN 0.914 nan 8.190 nan 0.000 0.483 158 Q N 3.655 123.508 119.800 0.088 0.000 2.575 158 Q HA 0.404 4.744 4.340 -0.000 0.000 0.290 158 Q C -0.973 174.970 176.000 -0.094 0.000 0.963 158 Q CA -1.034 54.655 55.803 -0.189 0.000 0.783 158 Q CB 1.540 30.178 28.738 -0.166 0.000 1.467 158 Q HN 0.464 nan 8.270 nan 0.000 0.402 159 N N 0.912 119.429 118.700 -0.304 0.000 2.402 159 N HA 0.114 4.854 4.740 -0.000 0.000 0.252 159 N C 0.166 175.646 175.510 -0.050 0.000 1.118 159 N CA 0.124 53.148 53.050 -0.043 0.000 0.945 159 N CB 0.909 39.381 38.487 -0.026 0.000 1.147 159 N HN 0.721 nan 8.380 nan 0.000 0.495 160 R N 2.616 123.117 120.500 0.001 0.000 2.153 160 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 160 R C 1.425 177.724 176.300 -0.001 0.000 1.072 160 R CA 0.589 56.688 56.100 -0.003 0.000 0.990 160 R CB 0.218 30.527 30.300 0.014 0.000 0.889 160 R HN 0.413 nan 8.270 nan 0.000 0.452 161 V N 0.050 119.969 119.914 0.008 0.000 2.214 161 V HA -0.286 3.834 4.120 -0.000 0.000 0.244 161 V C 2.381 178.474 176.094 -0.002 0.000 1.045 161 V CA 2.466 64.770 62.300 0.008 0.000 0.993 161 V CB -0.811 31.022 31.823 0.016 0.000 0.633 161 V HN 0.575 nan 8.190 nan 0.000 0.449 162 T N -2.708 111.842 114.554 -0.005 0.000 3.067 162 T HA 0.274 4.624 4.350 -0.000 0.000 0.261 162 T C 1.519 176.199 174.700 -0.032 0.000 1.110 162 T CA 1.556 63.648 62.100 -0.012 0.000 1.113 162 T CB 0.637 69.503 68.868 -0.004 0.000 0.917 162 T HN 1.181 nan 8.240 nan 0.000 0.499 163 G N 1.108 109.873 108.800 -0.058 0.000 2.279 163 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.223 163 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.223 163 G C -0.115 174.694 174.900 -0.153 0.000 1.015 163 G CA -0.108 44.946 45.100 -0.077 0.000 0.621 163 G HN 0.663 nan 8.290 nan 0.000 0.506 164 E N 0.467 120.545 120.200 -0.203 0.000 2.708 164 E HA 0.229 4.579 4.350 -0.000 0.000 0.260 164 E C -0.063 176.188 176.600 -0.581 0.000 0.937 164 E CA 0.419 56.609 56.400 -0.350 0.000 0.953 164 E CB 0.631 30.116 29.700 -0.358 0.000 0.915 164 E HN 0.387 nan 8.360 nan 0.000 0.487 165 I N 3.220 123.512 120.570 -0.462 0.000 2.359 165 I HA 0.046 4.216 4.170 -0.000 0.000 0.294 165 I C -0.087 175.797 176.117 -0.388 0.000 0.987 165 I CA -0.062 60.987 61.300 -0.418 0.000 1.225 165 I CB 0.773 38.628 38.000 -0.242 0.000 1.366 165 I HN 0.522 nan 8.210 nan 0.000 0.466 166 Y N 3.327 123.592 120.300 -0.060 0.000 2.462 166 Y HA 0.234 4.784 4.550 0.000 0.000 0.253 166 Y C 0.707 176.657 175.900 0.083 0.000 1.095 166 Y CA -0.421 57.658 58.100 -0.035 0.000 1.283 166 Y CB 0.038 38.468 38.460 -0.050 0.000 1.138 166 Y HN 0.540 nan 8.280 nan 0.000 0.522 167 E N -0.278 120.059 120.200 0.227 0.000 2.410 167 E HA 0.639 4.989 4.350 -0.000 0.000 0.269 167 E C -0.859 175.827 176.600 0.143 0.000 0.937 167 E CA -0.986 55.626 56.400 0.355 0.000 0.793 167 E CB 2.151 32.172 29.700 0.535 0.000 1.314 167 E HN -0.047 nan 8.360 nan 0.000 0.447 168 S N -0.258 115.580 115.700 0.229 0.000 2.704 168 S HA 0.635 5.105 4.470 -0.000 0.000 0.305 168 S C 0.952 175.613 174.600 0.101 0.000 1.107 168 S CA -0.319 57.931 58.200 0.084 0.000 0.993 168 S CB 1.401 64.631 63.200 0.050 0.000 1.110 168 S HN 0.780 nan 8.310 nan 0.000 0.534 169 A N 0.536 123.394 122.820 0.063 0.000 1.940 169 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 169 A C 2.128 179.763 177.584 0.083 0.000 1.176 169 A CA 1.317 53.365 52.037 0.018 0.000 0.631 169 A CB -0.864 18.185 19.000 0.081 0.000 0.814 169 A HN 0.731 nan 8.150 nan 0.000 0.446 170 Q N -1.215 118.724 119.800 0.231 0.000 2.172 170 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 170 Q C 1.756 177.959 176.000 0.338 0.000 0.964 170 Q CA 0.889 56.902 55.803 0.351 0.000 0.855 170 Q CB -0.534 28.311 28.738 0.178 0.000 0.918 170 Q HN 0.682 nan 8.270 nan 0.000 0.444 171 F N 0.912 120.992 119.950 0.216 0.000 2.146 171 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 171 F C 2.298 178.201 175.800 0.173 0.000 1.096 171 F CA 0.254 58.356 58.000 0.171 0.000 1.275 171 F CB -1.199 37.877 39.000 0.128 0.000 1.008 171 F HN 0.063 nan 8.300 nan 0.000 0.480 172 L N -1.135 120.284 121.223 0.326 0.000 2.013 172 L HA -0.322 4.018 4.340 -0.000 0.000 0.212 172 L C 2.462 179.457 176.870 0.208 0.000 1.073 172 L CA 1.735 56.676 54.840 0.168 0.000 0.753 172 L CB -0.577 41.482 42.059 -0.000 0.000 0.890 172 L HN 0.035 nan 8.230 nan 0.000 0.432 173 Y N -0.721 119.777 120.300 0.329 0.000 2.133 173 Y HA -0.243 4.307 4.550 -0.000 0.000 0.287 173 Y C 2.322 178.476 175.900 0.424 0.000 1.134 173 Y CA 1.445 59.767 58.100 0.370 0.000 1.133 173 Y CB -0.683 38.014 38.460 0.395 0.000 0.987 173 Y HN 0.196 nan 8.280 nan 0.000 0.502 174 I N -0.255 120.630 120.570 0.524 0.000 2.264 174 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 174 I C 1.873 178.085 176.117 0.158 0.000 1.111 174 I CA 1.550 62.985 61.300 0.224 0.000 1.382 174 I CB -0.431 37.539 38.000 -0.051 0.000 1.060 174 I HN 0.139 nan 8.210 nan 0.000 0.418 175 L N -1.611 119.699 121.223 0.144 0.000 2.270 175 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 175 L C 2.392 179.276 176.870 0.023 0.000 1.104 175 L CA 0.176 55.023 54.840 0.012 0.000 0.804 175 L CB -0.472 41.520 42.059 -0.111 0.000 0.937 175 L HN 0.026 nan 8.230 nan 0.000 0.450 176 V N 0.495 120.481 119.914 0.120 0.000 2.255 176 V HA -0.338 3.781 4.120 -0.000 0.000 0.247 176 V C 2.829 178.963 176.094 0.068 0.000 1.051 176 V CA 1.998 64.356 62.300 0.098 0.000 1.018 176 V CB -0.874 31.078 31.823 0.215 0.000 0.641 176 V HN 0.488 nan 8.190 nan 0.000 0.445 177 A N 0.092 123.053 122.820 0.235 0.000 1.884 177 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 177 A C 2.456 180.126 177.584 0.143 0.000 1.197 177 A CA 2.801 54.979 52.037 0.235 0.000 0.637 177 A CB -1.123 18.126 19.000 0.415 0.000 0.827 177 A HN 0.647 nan 8.150 nan 0.000 0.450 178 A N -1.211 121.636 122.820 0.045 0.000 1.917 178 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 178 A C 2.364 180.010 177.584 0.103 0.000 1.182 178 A CA 1.917 53.918 52.037 -0.059 0.000 0.633 178 A CB -1.373 17.392 19.000 -0.392 0.000 0.819 178 A HN 0.650 nan 8.150 nan 0.000 0.448 179 C N -0.908 118.394 119.300 0.003 0.000 2.453 179 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 179 C C 2.652 177.495 174.990 -0.246 0.000 1.262 179 C CA 1.004 59.997 59.018 -0.041 0.000 1.718 179 C CB -1.433 26.218 27.740 -0.149 0.000 2.031 179 C HN 0.626 nan 8.230 nan 0.000 0.480 180 L N -0.938 120.071 121.223 -0.357 0.000 2.141 180 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 180 L C 1.471 177.942 176.870 -0.664 0.000 1.094 180 L CA 1.508 55.978 54.840 -0.617 0.000 0.763 180 L CB -0.473 41.104 42.059 -0.803 0.000 0.908 180 L HN 0.291 nan 8.230 nan 0.000 0.437 181 F N -0.660 119.131 119.950 -0.265 0.000 2.639 181 F HA 0.057 4.584 4.527 -0.000 0.000 0.300 181 F C 2.269 178.090 175.800 0.036 0.000 1.109 181 F CA 0.060 57.912 58.000 -0.245 0.000 1.335 181 F CB -0.311 38.444 39.000 -0.409 0.000 1.014 181 F HN 0.028 nan 8.300 nan 0.000 0.537 182 S N -0.612 115.191 115.700 0.173 0.000 2.419 182 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 182 S C 1.410 176.046 174.600 0.060 0.000 1.016 182 S CA 1.385 59.668 58.200 0.139 0.000 0.974 182 S CB -0.660 62.654 63.200 0.189 0.000 0.786 182 S HN 0.548 nan 8.310 nan 0.000 0.492 183 N N -0.306 118.461 118.700 0.111 0.000 2.412 183 N HA 0.137 4.877 4.740 -0.000 0.000 0.184 183 N C -0.721 174.831 175.510 0.069 0.000 1.101 183 N CA -0.115 52.968 53.050 0.056 0.000 0.881 183 N CB -0.032 38.457 38.487 0.002 0.000 0.969 183 N HN 0.320 nan 8.380 nan 0.000 0.459 184 Y N 2.330 122.631 120.300 0.001 0.000 2.597 184 Y HA 0.058 4.608 4.550 -0.000 0.000 0.336 184 Y C -1.648 174.270 175.900 0.031 0.000 1.216 184 Y CA -2.257 55.866 58.100 0.037 0.000 1.463 184 Y CB 0.021 38.554 38.460 0.121 0.000 1.303 184 Y HN 0.056 nan 8.280 nan 0.000 0.576 185 P HA -0.012 nan 4.420 nan 0.000 0.267 185 P C 0.288 177.643 177.300 0.093 0.000 1.200 185 P CA -0.003 63.129 63.100 0.053 0.000 0.772 185 P CB 0.778 32.494 31.700 0.026 0.000 0.855 186 R N 2.023 122.552 120.500 0.048 0.000 2.170 186 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 186 R C 2.094 178.431 176.300 0.061 0.000 1.145 186 R CA 1.671 57.798 56.100 0.046 0.000 0.984 186 R CB -0.266 30.044 30.300 0.017 0.000 0.869 186 R HN 0.551 nan 8.270 nan 0.000 0.455 187 E N -1.132 119.103 120.200 0.058 0.000 2.204 187 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 187 E C 1.285 177.922 176.600 0.061 0.000 0.989 187 E CA 1.774 58.203 56.400 0.048 0.000 0.824 187 E CB -0.173 29.547 29.700 0.034 0.000 0.756 187 E HN 0.549 nan 8.360 nan 0.000 0.477 188 T N -2.572 112.055 114.554 0.123 0.000 2.958 188 T HA 0.212 4.562 4.350 -0.000 0.000 0.256 188 T C 1.804 176.627 174.700 0.204 0.000 0.983 188 T CA 0.067 62.250 62.100 0.139 0.000 0.924 188 T CB 0.323 69.341 68.868 0.251 0.000 1.136 188 T HN 0.038 nan 8.240 nan 0.000 0.506 189 R N 1.421 122.074 120.500 0.254 0.000 2.143 189 R HA -0.029 4.311 4.340 -0.000 0.000 0.239 189 R C 2.080 178.483 176.300 0.172 0.000 1.126 189 R CA 1.972 58.230 56.100 0.264 0.000 0.927 189 R CB -0.842 29.596 30.300 0.229 0.000 0.860 189 R HN 0.410 nan 8.270 nan 0.000 0.433 190 L N 0.426 121.746 121.223 0.162 0.000 2.362 190 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 190 L C 2.795 179.701 176.870 0.061 0.000 1.134 190 L CA 0.994 55.952 54.840 0.197 0.000 0.807 190 L CB -0.441 41.771 42.059 0.256 0.000 0.927 190 L HN 0.510 nan 8.230 nan 0.000 0.447 191 Q N -0.402 119.362 119.800 -0.060 0.000 2.020 191 Q HA -0.212 4.128 4.340 -0.000 0.000 0.198 191 Q C 2.281 178.075 176.000 -0.343 0.000 0.974 191 Q CA 1.679 57.337 55.803 -0.242 0.000 0.829 191 Q CB -0.115 28.460 28.738 -0.272 0.000 0.894 191 Q HN 0.378 nan 8.270 nan 0.000 0.433 192 Y N 0.082 120.178 120.300 -0.340 0.000 2.151 192 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 192 Y C 2.375 177.844 175.900 -0.719 0.000 1.166 192 Y CA 1.283 58.988 58.100 -0.658 0.000 1.163 192 Y CB -0.607 37.231 38.460 -1.036 0.000 0.974 192 Y HN -0.023 nan 8.280 nan 0.000 0.511 193 V N 0.182 119.925 119.914 -0.285 0.000 2.261 193 V HA -0.347 3.773 4.120 -0.000 0.000 0.246 193 V C 2.425 178.515 176.094 -0.007 0.000 1.047 193 V CA 2.295 64.547 62.300 -0.080 0.000 1.015 193 V CB -0.651 31.237 31.823 0.108 0.000 0.642 193 V HN 0.342 nan 8.190 nan 0.000 0.446 194 K N -0.084 120.180 120.400 -0.226 0.000 2.044 194 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 194 K C 2.380 178.841 176.600 -0.231 0.000 1.049 194 K CA 1.833 57.801 56.287 -0.533 0.000 0.927 194 K CB -0.186 31.468 32.500 -1.409 0.000 0.713 194 K HN 0.331 nan 8.250 nan 0.000 0.443 195 R N -0.743 119.608 120.500 -0.249 0.000 2.092 195 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 195 R C 2.320 178.567 176.300 -0.088 0.000 1.119 195 R CA 1.478 57.467 56.100 -0.186 0.000 0.970 195 R CB -0.325 29.846 30.300 -0.215 0.000 0.864 195 R HN 0.269 nan 8.270 nan 0.000 0.440 196 F N 0.300 120.149 119.950 -0.169 0.000 2.163 196 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 196 F C 2.247 178.025 175.800 -0.037 0.000 1.094 196 F CA 1.132 59.090 58.000 -0.071 0.000 1.290 196 F CB -0.345 38.651 39.000 -0.007 0.000 1.017 196 F HN -0.029 nan 8.300 nan 0.000 0.483 197 Y N 1.171 121.508 120.300 0.061 0.000 2.165 197 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 197 Y C 2.110 177.889 175.900 -0.202 0.000 1.155 197 Y CA 2.132 60.226 58.100 -0.011 0.000 1.164 197 Y CB -0.858 37.658 38.460 0.094 0.000 0.978 197 Y HN 0.034 nan 8.280 nan 0.000 0.513 198 D N 0.353 120.529 120.400 -0.374 0.000 2.117 198 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 198 D C 2.303 178.293 176.300 -0.516 0.000 0.987 198 D CA 1.608 55.320 54.000 -0.481 0.000 0.829 198 D CB -0.570 40.075 40.800 -0.258 0.000 0.961 198 D HN 0.514 nan 8.370 nan 0.000 0.460 199 A N 0.560 123.113 122.820 -0.446 0.000 1.930 199 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 199 A C 2.444 179.709 177.584 -0.531 0.000 1.175 199 A CA 1.945 53.728 52.037 -0.422 0.000 0.627 199 A CB -0.625 18.158 19.000 -0.361 0.000 0.815 199 A HN 0.237 nan 8.150 nan 0.000 0.443 200 V N -1.622 117.862 119.914 -0.716 0.000 2.535 200 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 200 V C 2.372 177.812 176.094 -1.090 0.000 1.045 200 V CA 2.078 63.935 62.300 -0.738 0.000 1.058 200 V CB -1.098 30.353 31.823 -0.619 0.000 0.689 200 V HN 0.640 nan 8.190 nan 0.000 0.461 201 S N 1.843 116.774 115.700 -1.281 0.000 2.453 201 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 201 S C 1.710 175.600 174.600 -1.184 0.000 1.005 201 S CA 1.270 58.659 58.200 -1.352 0.000 0.949 201 S CB -0.995 61.465 63.200 -1.234 0.000 0.774 201 S HN 0.910 nan 8.310 nan 0.000 0.510 202 T N -2.280 111.705 114.554 -0.948 0.000 3.214 202 T HA 0.402 4.752 4.350 -0.000 0.000 0.264 202 T C 0.184 174.542 174.700 -0.569 0.000 1.012 202 T CA -0.589 61.022 62.100 -0.814 0.000 0.901 202 T CB -1.125 67.471 68.868 -0.454 0.000 1.070 202 T HN 0.269 nan 8.240 nan 0.000 0.561 203 F N -0.652 119.146 119.950 -0.252 0.000 2.973 203 F HA -0.234 4.293 4.527 0.000 0.000 0.299 203 F C 1.290 177.040 175.800 -0.082 0.000 0.737 203 F CA 0.418 58.341 58.000 -0.129 0.000 1.151 203 F CB -2.335 36.632 39.000 -0.055 0.000 1.440 203 F HN 0.279 nan 8.300 nan 0.000 0.367 204 K N 0.367 120.754 120.400 -0.022 0.000 2.097 204 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 204 K C 0.786 177.423 176.600 0.063 0.000 1.050 204 K CA 1.366 57.658 56.287 0.008 0.000 0.938 204 K CB 0.138 32.595 32.500 -0.072 0.000 0.718 204 K HN 0.431 nan 8.250 nan 0.000 0.442 205 I N -0.350 120.207 120.570 -0.022 0.000 2.474 205 I HA 0.153 4.323 4.170 -0.000 0.000 0.294 205 I C -0.626 175.486 176.117 -0.009 0.000 1.005 205 I CA -0.753 60.537 61.300 -0.017 0.000 1.113 205 I CB 2.145 40.075 38.000 -0.117 0.000 1.289 205 I HN -0.161 nan 8.210 nan 0.000 0.436 206 S N 6.417 122.135 115.700 0.030 0.000 2.451 206 S HA 0.693 5.163 4.470 -0.000 0.000 0.301 206 S C -0.715 173.933 174.600 0.079 0.000 1.116 206 S CA -0.538 57.719 58.200 0.095 0.000 1.093 206 S CB 0.652 63.920 63.200 0.114 0.000 1.017 206 S HN 0.389 nan 8.310 nan 0.000 0.482 207 L N 6.195 127.499 121.223 0.135 0.000 2.325 207 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 207 L C -1.894 175.038 176.870 0.104 0.000 1.023 207 L CA -2.240 52.667 54.840 0.113 0.000 0.811 207 L CB 1.811 43.955 42.059 0.142 0.000 1.249 207 L HN 0.510 nan 8.230 nan 0.000 0.431 208 P HA 0.114 nan 4.420 nan 0.000 0.274 208 P C 0.372 177.680 177.300 0.013 0.000 1.256 208 P CA -0.368 62.775 63.100 0.071 0.000 0.795 208 P CB 0.735 32.471 31.700 0.060 0.000 1.038 209 T N 1.425 116.015 114.554 0.060 0.000 2.635 209 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 209 T C -0.906 173.757 174.700 -0.063 0.000 1.040 209 T CA 2.549 64.642 62.100 -0.012 0.000 1.156 209 T CB -1.759 67.231 68.868 0.204 0.000 0.863 209 T HN 0.514 nan 8.240 nan 0.000 0.430 210 P HA 0.032 nan 4.420 nan 0.000 0.216 210 P C 1.461 178.882 177.300 0.203 0.000 1.153 210 P CA 0.907 64.099 63.100 0.153 0.000 0.848 210 P CB -0.146 31.677 31.700 0.206 0.000 0.787 211 I N -1.757 118.857 120.570 0.072 0.000 2.202 211 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 211 I C 2.377 178.457 176.117 -0.061 0.000 1.091 211 I CA 1.353 62.624 61.300 -0.049 0.000 1.368 211 I CB -0.592 37.357 38.000 -0.085 0.000 1.058 211 I HN -0.086 nan 8.210 nan 0.000 0.410 212 M N 0.468 119.965 119.600 -0.171 0.000 2.195 212 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 212 M C 2.380 178.518 176.300 -0.270 0.000 1.066 212 M CA 2.078 57.175 55.300 -0.339 0.000 1.089 212 M CB -0.970 31.037 32.600 -0.988 0.000 1.377 212 M HN 0.405 nan 8.290 nan 0.000 0.411 213 S N -2.259 113.341 115.700 -0.167 0.000 2.505 213 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 213 S C 1.730 176.410 174.600 0.133 0.000 1.018 213 S CA 0.338 58.539 58.200 0.002 0.000 0.911 213 S CB 0.117 63.343 63.200 0.043 0.000 0.818 213 S HN 0.434 nan 8.310 nan 0.000 0.497 214 G N 1.248 110.179 108.800 0.219 0.000 2.798 214 G HA2 0.290 4.250 3.960 -0.000 0.000 0.200 214 G HA3 0.290 4.250 3.960 -0.000 0.000 0.200 214 G C 0.156 175.350 174.900 0.490 0.000 1.092 214 G CA 0.027 45.373 45.100 0.411 0.000 0.800 214 G HN 0.355 nan 8.290 nan 0.000 0.566 215 V N 2.920 122.999 119.914 0.275 0.000 2.425 215 V HA 0.285 4.405 4.120 -0.000 0.000 0.276 215 V C 1.164 177.315 176.094 0.095 0.000 1.017 215 V CA 1.376 63.722 62.300 0.078 0.000 1.062 215 V CB -0.091 31.585 31.823 -0.245 0.000 0.997 215 V HN 0.796 nan 8.190 nan 0.000 0.476 216 R N 2.600 123.196 120.500 0.161 0.000 1.824 216 R HA -0.108 4.232 4.340 -0.000 0.000 0.390 216 R C 0.223 176.585 176.300 0.103 0.000 0.226 216 R CA 0.727 56.830 56.100 0.005 0.000 1.417 216 R CB -1.502 28.678 30.300 -0.200 0.000 1.877 216 R HN 0.731 nan 8.270 nan 0.000 0.202 217 T N -1.917 112.787 114.554 0.250 0.000 2.948 217 T HA 0.633 4.983 4.350 -0.000 0.000 0.285 217 T C -2.118 172.728 174.700 0.242 0.000 1.019 217 T CA -1.520 60.739 62.100 0.265 0.000 1.013 217 T CB 2.326 71.340 68.868 0.243 0.000 1.117 217 T HN -0.140 nan 8.240 nan 0.000 0.533 218 P HA 0.072 nan 4.420 nan 0.000 0.225 218 P C 0.742 178.068 177.300 0.043 0.000 1.148 218 P CA 0.592 63.757 63.100 0.109 0.000 0.779 218 P CB -0.177 31.564 31.700 0.068 0.000 0.780 219 T N 0.087 114.654 114.554 0.020 0.000 2.898 219 T HA 0.121 4.471 4.350 -0.000 0.000 0.301 219 T C 0.958 175.507 174.700 -0.251 0.000 1.049 219 T CA -0.123 61.898 62.100 -0.131 0.000 1.095 219 T CB 0.206 68.963 68.868 -0.186 0.000 0.976 219 T HN -0.128 nan 8.240 nan 0.000 0.539 220 R N 2.367 122.607 120.500 -0.434 0.000 2.600 220 R HA 0.177 4.517 4.340 -0.000 0.000 0.392 220 R C -0.151 175.665 176.300 -0.805 0.000 1.032 220 R CA -0.090 55.689 56.100 -0.535 0.000 1.139 220 R CB 0.444 30.567 30.300 -0.295 0.000 1.400 220 R HN 0.689 nan 8.270 nan 0.000 0.566 221 Q N 0.415 119.667 119.800 -0.912 0.000 2.389 221 Q HA 0.242 4.582 4.340 -0.000 0.000 0.244 221 Q C -0.288 175.267 176.000 -0.743 0.000 1.056 221 Q CA 0.102 55.542 55.803 -0.606 0.000 0.908 221 Q CB 0.418 28.948 28.738 -0.346 0.000 1.273 221 Q HN 0.061 nan 8.270 nan 0.000 0.471 222 F N -1.220 118.713 119.950 -0.028 0.000 2.871 222 F HA 0.151 4.678 4.527 -0.000 0.000 0.344 222 F C 0.584 176.385 175.800 0.002 0.000 1.078 222 F CA -0.439 57.559 58.000 -0.003 0.000 1.149 222 F CB 0.842 39.847 39.000 0.008 0.000 1.087 222 F HN 0.159 nan 8.300 nan 0.000 0.557 223 S N 0.919 116.695 115.700 0.126 0.000 2.488 223 S HA 0.183 4.653 4.470 -0.000 0.000 0.278 223 S C 1.168 175.813 174.600 0.075 0.000 1.259 223 S CA 0.325 58.581 58.200 0.095 0.000 1.061 223 S CB 0.718 63.982 63.200 0.108 0.000 0.910 223 S HN 0.369 nan 8.310 nan 0.000 0.491 224 S N 0.550 116.279 115.700 0.048 0.000 2.578 224 S HA 0.194 4.663 4.470 -0.000 0.000 0.228 224 S C 0.417 175.017 174.600 -0.001 0.000 1.022 224 S CA -0.269 57.955 58.200 0.040 0.000 0.967 224 S CB -0.319 62.919 63.200 0.062 0.000 0.914 224 S HN 0.898 nan 8.310 nan 0.000 0.515 225 C N 0.766 120.042 119.300 -0.041 0.000 2.642 225 C HA 0.894 5.354 4.460 -0.000 0.000 0.344 225 C C -0.645 174.263 174.990 -0.137 0.000 1.110 225 C CA -0.656 58.321 59.018 -0.069 0.000 1.298 225 C CB 0.771 28.494 27.740 -0.028 0.000 1.827 225 C HN 0.655 nan 8.230 nan 0.000 0.467 226 V N 3.017 122.814 119.914 -0.194 0.000 2.823 226 V HA 0.922 5.042 4.120 -0.000 0.000 0.312 226 V C -1.279 174.720 176.094 -0.158 0.000 1.072 226 V CA -0.641 61.496 62.300 -0.271 0.000 0.937 226 V CB 1.730 33.198 31.823 -0.593 0.000 1.013 226 V HN 0.882 nan 8.190 nan 0.000 0.430 227 L N 5.880 127.024 121.223 -0.132 0.000 2.349 227 L HA 0.684 5.023 4.340 -0.000 0.000 0.278 227 L C -0.419 176.395 176.870 -0.092 0.000 0.996 227 L CA -0.127 54.654 54.840 -0.099 0.000 0.825 227 L CB 1.582 43.577 42.059 -0.107 0.000 1.243 227 L HN 0.637 nan 8.230 nan 0.000 0.412 228 I N 1.945 122.465 120.570 -0.084 0.000 2.465 228 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 228 I C -0.259 175.810 176.117 -0.080 0.000 1.014 228 I CA -0.551 60.703 61.300 -0.077 0.000 1.093 228 I CB 2.131 40.079 38.000 -0.087 0.000 1.267 228 I HN 0.599 nan 8.210 nan 0.000 0.431 229 E N 5.360 125.524 120.200 -0.060 0.000 2.151 229 E HA 0.339 4.689 4.350 -0.000 0.000 0.275 229 E C -1.518 175.065 176.600 -0.027 0.000 0.936 229 E CA -0.610 55.765 56.400 -0.042 0.000 0.777 229 E CB 1.865 31.540 29.700 -0.042 0.000 1.108 229 E HN 0.722 nan 8.360 nan 0.000 0.401 230 C N 4.392 123.686 119.300 -0.010 0.000 2.330 230 C HA 0.752 5.212 4.460 -0.000 0.000 0.344 230 C C 0.765 175.779 174.990 0.040 0.000 1.273 230 C CA -0.143 58.894 59.018 0.032 0.000 1.879 230 C CB -0.531 27.262 27.740 0.088 0.000 2.376 230 C HN 0.832 nan 8.230 nan 0.000 0.534 231 G N 3.147 111.966 108.800 0.032 0.000 2.502 231 G HA2 0.325 4.285 3.960 -0.000 0.000 0.305 231 G HA3 0.325 4.285 3.960 -0.000 0.000 0.305 231 G C -0.405 174.495 174.900 0.001 0.000 1.190 231 G CA -0.140 44.959 45.100 -0.003 0.000 0.933 231 G HN 0.785 nan 8.290 nan 0.000 0.503 232 D N -0.382 119.973 120.400 -0.075 0.000 2.801 232 D HA 0.330 4.970 4.640 -0.000 0.000 0.232 232 D C 0.281 176.418 176.300 -0.272 0.000 1.128 232 D CA -0.020 53.871 54.000 -0.182 0.000 1.003 232 D CB -0.498 40.134 40.800 -0.281 0.000 1.110 232 D HN 0.459 nan 8.370 nan 0.000 0.477 233 S N -0.255 115.483 115.700 0.064 0.000 2.547 233 S HA 0.244 4.714 4.470 -0.000 0.000 0.270 233 S C 0.866 175.636 174.600 0.283 0.000 1.150 233 S CA -0.912 57.439 58.200 0.253 0.000 0.850 233 S CB 0.699 63.957 63.200 0.097 0.000 1.118 233 S HN 0.077 nan 8.310 nan 0.000 0.461 234 L N 0.858 122.235 121.223 0.256 0.000 2.131 234 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 234 L C 1.743 178.648 176.870 0.059 0.000 1.092 234 L CA 1.344 56.203 54.840 0.031 0.000 0.759 234 L CB -0.663 41.388 42.059 -0.015 0.000 0.903 234 L HN 0.694 nan 8.230 nan 0.000 0.435 235 D N -0.644 119.806 120.400 0.084 0.000 2.117 235 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 235 D C 2.391 178.738 176.300 0.077 0.000 0.987 235 D CA 1.373 55.417 54.000 0.072 0.000 0.829 235 D CB -0.021 40.817 40.800 0.063 0.000 0.961 235 D HN 0.078 nan 8.370 nan 0.000 0.460 236 S N -0.365 115.383 115.700 0.080 0.000 2.371 236 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 236 S C 2.116 176.789 174.600 0.122 0.000 1.029 236 S CA 0.304 58.553 58.200 0.082 0.000 0.978 236 S CB -0.185 63.054 63.200 0.066 0.000 0.833 236 S HN 0.140 nan 8.310 nan 0.000 0.466 237 I N 2.034 122.682 120.570 0.130 0.000 2.163 237 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 237 I C 2.307 178.587 176.117 0.271 0.000 1.085 237 I CA 1.117 62.540 61.300 0.205 0.000 1.347 237 I CB -0.430 37.523 38.000 -0.079 0.000 1.044 237 I HN 0.301 nan 8.210 nan 0.000 0.408 238 N N 1.028 119.831 118.700 0.172 0.000 2.043 238 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 238 N C 1.926 177.535 175.510 0.165 0.000 1.037 238 N CA 1.789 54.949 53.050 0.182 0.000 0.851 238 N CB -0.569 37.991 38.487 0.121 0.000 1.027 238 N HN 0.368 nan 8.380 nan 0.000 0.422 239 A N 0.645 123.538 122.820 0.122 0.000 1.892 239 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 239 A C 2.406 180.046 177.584 0.094 0.000 1.188 239 A CA 2.489 54.582 52.037 0.094 0.000 0.631 239 A CB -1.318 17.725 19.000 0.073 0.000 0.822 239 A HN 0.392 nan 8.150 nan 0.000 0.447 240 T N -0.509 114.107 114.554 0.103 0.000 2.652 240 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 240 T C 2.265 176.996 174.700 0.053 0.000 1.039 240 T CA 1.875 63.994 62.100 0.032 0.000 1.153 240 T CB -0.533 68.309 68.868 -0.044 0.000 0.863 240 T HN 0.554 nan 8.240 nan 0.000 0.428 241 S N 0.534 116.360 115.700 0.210 0.000 2.359 241 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 241 S C 2.408 177.070 174.600 0.103 0.000 1.035 241 S CA 1.765 60.088 58.200 0.205 0.000 1.018 241 S CB -0.602 62.760 63.200 0.271 0.000 0.876 241 S HN 0.425 nan 8.310 nan 0.000 0.448 242 S N 0.961 116.724 115.700 0.105 0.000 2.359 242 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 242 S C 2.197 176.829 174.600 0.053 0.000 1.035 242 S CA 1.191 59.433 58.200 0.071 0.000 1.018 242 S CB -0.674 62.567 63.200 0.069 0.000 0.876 242 S HN 0.711 nan 8.310 nan 0.000 0.448 243 A N 1.110 123.971 122.820 0.067 0.000 1.933 243 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 243 A C 2.028 179.697 177.584 0.142 0.000 1.175 243 A CA 1.105 53.202 52.037 0.099 0.000 0.628 243 A CB -0.676 18.400 19.000 0.127 0.000 0.814 243 A HN 0.499 nan 8.150 nan 0.000 0.444 244 I N -0.465 120.158 120.570 0.088 0.000 2.127 244 I HA -0.254 3.915 4.170 -0.000 0.000 0.241 244 I C 2.377 178.543 176.117 0.081 0.000 1.075 244 I CA 1.443 62.790 61.300 0.078 0.000 1.334 244 I CB -0.456 37.556 38.000 0.020 0.000 1.040 244 I HN 0.160 nan 8.210 nan 0.000 0.405 245 V N 0.723 120.666 119.914 0.049 0.000 2.332 245 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 245 V C 2.552 178.654 176.094 0.013 0.000 1.055 245 V CA 1.721 64.038 62.300 0.029 0.000 1.038 245 V CB -0.727 31.107 31.823 0.019 0.000 0.651 245 V HN 0.356 nan 8.190 nan 0.000 0.450 246 K N -0.982 119.410 120.400 -0.013 0.000 2.057 246 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 246 K C 2.123 178.635 176.600 -0.147 0.000 1.049 246 K CA 1.793 58.016 56.287 -0.106 0.000 0.931 246 K CB -0.418 31.976 32.500 -0.177 0.000 0.714 246 K HN 0.525 nan 8.250 nan 0.000 0.440 247 Y N 0.734 121.032 120.300 -0.003 0.000 2.243 247 Y HA -0.171 4.379 4.550 -0.000 0.000 0.293 247 Y C 2.312 178.209 175.900 -0.004 0.000 1.124 247 Y CA 0.968 59.065 58.100 -0.005 0.000 1.159 247 Y CB -0.711 37.749 38.460 0.000 0.000 1.008 247 Y HN -0.110 nan 8.280 nan 0.000 0.527 248 V N -1.570 118.437 119.914 0.155 0.000 2.568 248 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 248 V C 2.099 178.227 176.094 0.057 0.000 1.072 248 V CA 2.003 64.357 62.300 0.090 0.000 1.084 248 V CB -1.391 30.470 31.823 0.063 0.000 0.676 248 V HN 0.472 nan 8.190 nan 0.000 0.469 249 S N 0.001 115.721 115.700 0.033 0.000 2.453 249 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 249 S C 1.784 176.387 174.600 0.004 0.000 1.005 249 S CA 1.222 59.427 58.200 0.008 0.000 0.949 249 S CB -0.576 62.615 63.200 -0.014 0.000 0.774 249 S HN 0.763 nan 8.310 nan 0.000 0.510 250 Q N 0.402 120.213 119.800 0.018 0.000 2.222 250 Q HA 0.336 4.676 4.340 -0.000 0.000 0.206 250 Q C -0.235 175.797 176.000 0.054 0.000 0.877 250 Q CA -0.311 55.502 55.803 0.018 0.000 0.958 250 Q CB 0.110 28.854 28.738 0.009 0.000 1.075 250 Q HN 0.423 nan 8.270 nan 0.000 0.483 251 R N -1.278 119.257 120.500 0.060 0.000 3.776 251 R HA -0.174 4.166 4.340 -0.000 0.000 0.312 251 R C -0.415 175.928 176.300 0.073 0.000 1.181 251 R CA 0.563 56.699 56.100 0.061 0.000 0.836 251 R CB -2.252 28.078 30.300 0.050 0.000 1.324 251 R HN 0.265 nan 8.270 nan 0.000 0.501 252 A N 0.647 123.526 122.820 0.097 0.000 2.371 252 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 252 A C 0.921 178.530 177.584 0.042 0.000 1.089 252 A CA 0.417 52.495 52.037 0.069 0.000 0.794 252 A CB 0.711 19.753 19.000 0.070 0.000 1.029 252 A HN 0.311 nan 8.150 nan 0.000 0.488 253 G N 0.804 109.615 108.800 0.019 0.000 2.372 253 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 253 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 253 G C -0.262 174.632 174.900 -0.010 0.000 1.177 253 G CA -0.413 44.697 45.100 0.017 0.000 0.842 253 G HN 0.556 nan 8.290 nan 0.000 0.503 254 I N 1.368 121.937 120.570 -0.001 0.000 2.441 254 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 254 I C 0.616 176.742 176.117 0.014 0.000 0.994 254 I CA -0.658 60.631 61.300 -0.019 0.000 1.144 254 I CB 1.468 39.454 38.000 -0.023 0.000 1.314 254 I HN 0.522 nan 8.210 nan 0.000 0.445 255 G N 6.520 115.336 108.800 0.027 0.000 2.422 255 G HA2 0.726 4.685 3.960 -0.000 0.000 0.317 255 G HA3 0.726 4.685 3.960 -0.000 0.000 0.317 255 G C -0.799 174.155 174.900 0.089 0.000 1.210 255 G CA -0.355 44.830 45.100 0.142 0.000 0.930 255 G HN 0.481 nan 8.290 nan 0.000 0.468 256 I N 2.083 122.732 120.570 0.132 0.000 2.389 256 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 256 I C -0.580 175.631 176.117 0.158 0.000 0.999 256 I CA -1.030 60.273 61.300 0.006 0.000 1.129 256 I CB 2.175 40.057 38.000 -0.196 0.000 1.288 256 I HN 0.329 nan 8.210 nan 0.000 0.444 257 N N 5.264 124.021 118.700 0.096 0.000 2.426 257 N HA 0.520 5.260 4.740 -0.000 0.000 0.257 257 N C -0.095 175.502 175.510 0.145 0.000 1.002 257 N CA -0.247 52.909 53.050 0.176 0.000 0.942 257 N CB 1.679 40.222 38.487 0.093 0.000 1.112 257 N HN 0.751 nan 8.380 nan 0.000 0.499 258 A N 2.229 125.185 122.820 0.227 0.000 2.603 258 A HA 0.348 4.668 4.320 -0.000 0.000 0.277 258 A C 1.423 179.213 177.584 0.342 0.000 1.158 258 A CA 0.071 52.270 52.037 0.271 0.000 0.962 258 A CB -0.182 18.980 19.000 0.271 0.000 1.189 258 A HN 0.633 nan 8.150 nan 0.000 0.552 259 G N 0.036 109.056 108.800 0.367 0.000 2.509 259 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 259 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 259 G C 1.416 176.493 174.900 0.295 0.000 1.124 259 G CA 0.616 45.965 45.100 0.416 0.000 0.776 259 G HN 0.461 nan 8.290 nan 0.000 0.547 260 R N -0.457 120.074 120.500 0.053 0.000 2.236 260 R HA 0.211 4.551 4.340 -0.000 0.000 0.208 260 R C 0.712 177.024 176.300 0.020 0.000 1.036 260 R CA -0.152 55.841 56.100 -0.179 0.000 1.001 260 R CB -0.132 29.986 30.300 -0.303 0.000 0.896 260 R HN 0.312 nan 8.270 nan 0.000 0.464 261 I N 3.214 123.892 120.570 0.180 0.000 2.587 261 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 261 I C 0.597 176.880 176.117 0.277 0.000 1.134 261 I CA -0.045 61.388 61.300 0.222 0.000 1.410 261 I CB 0.448 38.651 38.000 0.338 0.000 1.392 261 I HN 0.205 nan 8.210 nan 0.000 0.545 262 R N 6.198 126.775 120.500 0.128 0.000 2.679 262 R HA 0.458 4.798 4.340 -0.000 0.000 0.268 262 R C -0.059 176.361 176.300 0.200 0.000 1.044 262 R CA -0.576 55.580 56.100 0.094 0.000 1.105 262 R CB 0.444 30.718 30.300 -0.043 0.000 0.989 262 R HN 0.617 nan 8.270 nan 0.000 0.447 263 A N 3.314 126.202 122.820 0.114 0.000 2.346 263 A HA 0.204 4.524 4.320 -0.000 0.000 0.252 263 A C 0.010 177.655 177.584 0.102 0.000 1.089 263 A CA -0.718 51.407 52.037 0.146 0.000 0.797 263 A CB 0.234 19.254 19.000 0.033 0.000 1.047 263 A HN 0.759 nan 8.150 nan 0.000 0.494 264 L N 1.026 122.296 121.223 0.078 0.000 2.525 264 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 264 L C 1.290 178.172 176.870 0.020 0.000 1.218 264 L CA 2.186 57.054 54.840 0.048 0.000 0.878 264 L CB 0.031 42.098 42.059 0.014 0.000 1.127 264 L HN 1.676 nan 8.230 nan 0.000 0.492 265 G N 2.214 111.022 108.800 0.014 0.000 2.258 265 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.233 265 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.233 265 G C 0.504 175.284 174.900 -0.200 0.000 1.006 265 G CA 0.155 45.228 45.100 -0.046 0.000 0.620 265 G HN 0.898 nan 8.290 nan 0.000 0.511 266 S N 3.574 119.181 115.700 -0.154 0.000 2.558 266 S HA 0.403 4.873 4.470 -0.000 0.000 0.293 266 S C -1.055 173.356 174.600 -0.315 0.000 1.292 266 S CA 0.000 58.103 58.200 -0.161 0.000 1.063 266 S CB 0.776 63.941 63.200 -0.058 0.000 0.831 266 S HN 0.481 nan 8.310 nan 0.000 0.499 275 H N 2.256 121.465 119.070 0.233 0.000 2.353 275 H HA -0.085 4.470 4.556 -0.000 0.000 0.300 275 H C 2.015 177.379 175.328 0.060 0.000 1.090 275 H CA 2.542 58.662 56.048 0.120 0.000 1.327 275 H CB 0.202 30.004 29.762 0.068 0.000 1.383 275 H HN 0.418 nan 8.280 nan 0.000 0.508 276 T N -2.471 112.184 114.554 0.168 0.000 3.107 276 T HA 0.398 4.748 4.350 -0.000 0.000 0.249 276 T C 0.877 175.559 174.700 -0.031 0.000 1.096 276 T CA 0.483 62.600 62.100 0.028 0.000 1.012 276 T CB 0.427 69.244 68.868 -0.085 0.000 0.977 276 T HN 0.607 nan 8.240 nan 0.000 0.527 277 G N -0.702 108.122 108.800 0.040 0.000 2.440 277 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.684 277 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.684 277 G C 0.444 175.377 174.900 0.056 0.000 1.309 277 G CA -0.553 44.559 45.100 0.020 0.000 0.931 277 G HN 0.186 nan 8.290 nan 0.000 0.612 278 C N -0.264 119.027 119.300 -0.014 0.000 2.457 278 C HA 0.101 4.561 4.460 -0.000 0.000 0.278 278 C C 3.007 177.837 174.990 -0.267 0.000 1.309 278 C CA 1.396 60.369 59.018 -0.075 0.000 1.735 278 C CB -1.475 26.008 27.740 -0.429 0.000 1.992 278 C HN 0.562 nan 8.230 nan 0.000 0.493 279 I N 1.558 121.899 120.570 -0.381 0.000 2.163 279 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 279 I C -0.548 175.480 176.117 -0.149 0.000 1.085 279 I CA 1.789 62.892 61.300 -0.328 0.000 1.347 279 I CB -1.540 36.300 38.000 -0.268 0.000 1.044 279 I HN 0.225 nan 8.210 nan 0.000 0.408 280 P HA -0.148 nan 4.420 nan 0.000 0.218 280 P C 1.521 178.663 177.300 -0.264 0.000 1.149 280 P CA 1.465 64.392 63.100 -0.289 0.000 0.817 280 P CB -0.072 31.344 31.700 -0.473 0.000 0.785 281 F N -2.270 117.628 119.950 -0.086 0.000 2.146 281 F HA -0.160 4.367 4.527 0.001 0.000 0.298 281 F C 2.268 177.915 175.800 -0.255 0.000 1.096 281 F CA 1.044 58.928 58.000 -0.194 0.000 1.275 281 F CB -1.754 37.150 39.000 -0.161 0.000 1.008 281 F HN -0.087 nan 8.300 nan 0.000 0.480 282 Y N 0.807 121.086 120.300 -0.035 0.000 2.165 282 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 282 Y C 2.273 178.239 175.900 0.111 0.000 1.155 282 Y CA 0.914 59.074 58.100 0.100 0.000 1.164 282 Y CB -1.158 37.410 38.460 0.181 0.000 0.978 282 Y HN 0.076 nan 8.280 nan 0.000 0.513 283 K N -1.272 119.265 120.400 0.227 0.000 2.147 283 K HA -0.232 4.088 4.320 -0.000 0.000 0.205 283 K C 1.911 178.617 176.600 0.178 0.000 1.049 283 K CA 1.620 58.010 56.287 0.173 0.000 0.936 283 K CB -0.313 32.243 32.500 0.095 0.000 0.722 283 K HN 0.325 nan 8.250 nan 0.000 0.446 284 H N -0.119 118.964 119.070 0.021 0.000 2.395 284 H HA -0.046 4.510 4.556 -0.001 0.000 0.299 284 H C 1.520 176.936 175.328 0.146 0.000 1.070 284 H CA 1.329 57.394 56.048 0.028 0.000 1.356 284 H CB 0.019 29.766 29.762 -0.026 0.000 1.401 284 H HN 0.031 nan 8.280 nan 0.000 0.524 285 F N 0.806 120.836 119.950 0.134 0.000 2.171 285 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 285 F C 2.760 178.567 175.800 0.011 0.000 1.090 285 F CA 1.397 59.416 58.000 0.032 0.000 1.293 285 F CB -1.083 37.950 39.000 0.055 0.000 1.013 285 F HN 0.324 nan 8.300 nan 0.000 0.486 286 Q N 0.418 120.363 119.800 0.242 0.000 2.030 286 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 286 Q C 2.164 178.226 176.000 0.104 0.000 0.986 286 Q CA 2.949 58.849 55.803 0.163 0.000 0.843 286 Q CB -0.265 28.583 28.738 0.183 0.000 0.904 286 Q HN 0.493 nan 8.270 nan 0.000 0.420 287 T N -1.814 112.789 114.554 0.081 0.000 2.881 287 T HA -0.010 4.340 4.350 -0.000 0.000 0.270 287 T C 1.777 176.482 174.700 0.008 0.000 1.068 287 T CA 0.986 63.112 62.100 0.043 0.000 1.131 287 T CB -0.368 68.533 68.868 0.054 0.000 0.871 287 T HN 0.380 nan 8.240 nan 0.000 0.479 288 A N 1.115 123.925 122.820 -0.016 0.000 1.897 288 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 288 A C 2.592 180.192 177.584 0.026 0.000 1.181 288 A CA 1.260 53.289 52.037 -0.014 0.000 0.620 288 A CB -0.960 18.033 19.000 -0.012 0.000 0.821 288 A HN 0.397 nan 8.150 nan 0.000 0.443 289 V N -0.297 119.645 119.914 0.047 0.000 2.515 289 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 289 V C 2.141 178.258 176.094 0.039 0.000 1.058 289 V CA 2.171 64.498 62.300 0.045 0.000 1.064 289 V CB -0.444 31.410 31.823 0.051 0.000 0.675 289 V HN 0.373 nan 8.190 nan 0.000 0.461 290 K N 0.446 120.867 120.400 0.035 0.000 2.404 290 K HA 0.089 4.409 4.320 -0.000 0.000 0.194 290 K C 1.983 178.591 176.600 0.014 0.000 1.023 290 K CA 0.656 56.956 56.287 0.021 0.000 1.094 290 K CB -0.204 32.304 32.500 0.013 0.000 0.841 290 K HN 0.605 nan 8.250 nan 0.000 0.523 291 S N -1.444 114.266 115.700 0.017 0.000 2.507 291 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 291 S C 1.058 175.665 174.600 0.012 0.000 0.988 291 S CA 0.382 58.590 58.200 0.014 0.000 0.944 291 S CB -0.351 62.857 63.200 0.013 0.000 0.762 291 S HN 0.212 nan 8.310 nan 0.000 0.526 292 C N 2.319 121.627 119.300 0.014 0.000 2.814 292 C HA 0.609 5.069 4.460 -0.000 0.000 0.242 292 C C 0.168 175.166 174.990 0.012 0.000 1.704 292 C CA -0.930 58.095 59.018 0.012 0.000 1.608 292 C CB -1.287 26.461 27.740 0.014 0.000 2.939 292 C HN 0.390 nan 8.230 nan 0.000 0.512 293 S N 0.665 116.370 115.700 0.008 0.000 2.707 293 S HA 0.370 4.840 4.470 -0.000 0.000 0.303 293 S C 0.350 174.950 174.600 -0.001 0.000 1.132 293 S CA -0.375 57.828 58.200 0.005 0.000 1.046 293 S CB 1.829 65.030 63.200 0.001 0.000 1.004 293 S HN 0.647 nan 8.310 nan 0.000 0.483 294 Q N 2.894 122.696 119.800 0.002 0.000 2.741 294 Q HA -0.310 4.030 4.340 -0.000 0.000 0.469 294 Q C 1.036 177.034 176.000 -0.003 0.000 0.526 294 Q CA 2.577 58.380 55.803 0.001 0.000 1.025 294 Q CB -1.076 27.662 28.738 0.001 0.000 1.575 294 Q HN 0.970 nan 8.270 nan 0.000 1.119 295 G N -2.091 106.703 108.800 -0.010 0.000 4.637 295 G HA2 0.473 4.433 3.960 -0.000 0.000 0.294 295 G HA3 0.473 4.433 3.960 -0.000 0.000 0.294 295 G C 0.448 175.331 174.900 -0.028 0.000 1.215 295 G CA 0.353 45.444 45.100 -0.014 0.000 0.943 295 G HN 1.239 nan 8.290 nan 0.000 0.572 296 G N -0.910 107.872 108.800 -0.030 0.000 2.148 296 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 296 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 296 G C 1.013 175.854 174.900 -0.099 0.000 0.981 296 G CA 1.056 46.126 45.100 -0.049 0.000 0.670 296 G HN 1.600 nan 8.290 nan 0.000 0.528 297 V N -4.452 115.409 119.914 -0.088 0.000 3.141 297 V HA 0.516 4.636 4.120 -0.000 0.000 0.225 297 V C 0.995 177.064 176.094 -0.042 0.000 1.352 297 V CA 0.577 62.806 62.300 -0.118 0.000 1.316 297 V CB 0.053 31.794 31.823 -0.137 0.000 1.126 297 V HN 0.194 nan 8.190 nan 0.000 0.493 298 R N 2.261 122.751 120.500 -0.017 0.000 2.235 298 R HA 0.611 4.951 4.340 -0.000 0.000 0.338 298 R C 0.288 176.598 176.300 0.017 0.000 1.087 298 R CA 0.741 56.845 56.100 0.008 0.000 0.948 298 R CB 0.449 30.756 30.300 0.011 0.000 1.099 298 R HN 0.964 nan 8.270 nan 0.000 0.483 299 G N 0.799 109.616 108.800 0.028 0.000 2.539 299 G HA2 0.232 4.192 3.960 -0.000 0.000 0.686 299 G HA3 0.232 4.192 3.960 -0.000 0.000 0.686 299 G C -0.237 174.685 174.900 0.036 0.000 1.258 299 G CA -0.566 44.554 45.100 0.034 0.000 0.846 299 G HN 0.838 nan 8.290 nan 0.000 0.647 300 G N -1.190 107.636 108.800 0.043 0.000 3.450 300 G HA2 0.543 4.503 3.960 -0.000 0.000 0.668 300 G HA3 0.543 4.503 3.960 -0.000 0.000 0.668 300 G C 0.194 175.123 174.900 0.049 0.000 0.941 300 G CA 0.917 46.043 45.100 0.044 0.000 0.766 300 G HN 2.746 nan 8.290 nan 0.000 0.451 301 A N 1.528 124.378 122.820 0.050 0.000 2.449 301 A HA 1.201 5.521 4.320 -0.000 0.000 0.302 301 A C 0.128 177.733 177.584 0.035 0.000 1.048 301 A CA 0.156 52.225 52.037 0.052 0.000 0.708 301 A CB 1.849 20.890 19.000 0.068 0.000 1.274 301 A HN 2.722 nan 8.150 nan 0.000 0.410 302 A N 0.636 123.467 122.820 0.018 0.000 2.594 302 A HA 0.873 5.193 4.320 -0.000 0.000 0.295 302 A C -0.603 176.941 177.584 -0.067 0.000 1.071 302 A CA -0.448 51.580 52.037 -0.015 0.000 0.685 302 A CB 1.430 20.412 19.000 -0.030 0.000 1.285 302 A HN 0.974 nan 8.150 nan 0.000 0.405 303 T N 1.675 116.186 114.554 -0.071 0.000 2.812 303 T HA 0.567 4.916 4.350 -0.000 0.000 0.282 303 T C -0.768 173.760 174.700 -0.288 0.000 0.990 303 T CA -0.182 61.798 62.100 -0.199 0.000 0.960 303 T CB 0.969 69.785 68.868 -0.087 0.000 0.948 303 T HN 0.635 nan 8.240 nan 0.000 0.438 304 L N 3.699 124.647 121.223 -0.458 0.000 2.317 304 L HA 0.753 5.093 4.340 -0.000 0.000 0.281 304 L C -1.541 175.147 176.870 -0.303 0.000 1.024 304 L CA -0.807 53.879 54.840 -0.256 0.000 0.810 304 L CB 0.767 42.704 42.059 -0.202 0.000 1.240 304 L HN 0.538 nan 8.230 nan 0.000 0.427 305 F N 4.345 124.346 119.950 0.085 0.000 2.469 305 F HA 0.566 5.094 4.527 0.001 0.000 0.332 305 F C -0.571 175.355 175.800 0.210 0.000 1.103 305 F CA -0.420 57.626 58.000 0.077 0.000 0.979 305 F CB 1.532 40.578 39.000 0.077 0.000 1.137 305 F HN 0.367 nan 8.300 nan 0.000 0.463 306 Y N 1.338 121.836 120.300 0.330 0.000 2.571 306 Y HA 0.743 5.292 4.550 -0.000 0.000 0.341 306 Y C -3.373 172.615 175.900 0.147 0.000 1.076 306 Y CA -3.641 54.600 58.100 0.235 0.000 1.029 306 Y CB 0.987 39.524 38.460 0.129 0.000 1.308 306 Y HN 0.233 nan 8.280 nan 0.000 0.461 307 P HA 0.131 nan 4.420 nan 0.000 0.277 307 P C 0.488 177.668 177.300 -0.200 0.000 1.240 307 P CA -0.424 62.557 63.100 -0.198 0.000 0.798 307 P CB 1.627 32.719 31.700 -1.013 0.000 0.979 308 M N 2.540 122.034 119.600 -0.175 0.000 2.279 308 M HA -0.071 4.408 4.480 -0.000 0.000 0.264 308 M C 1.105 177.412 176.300 0.012 0.000 1.062 308 M CA 1.748 57.018 55.300 -0.050 0.000 1.099 308 M CB -0.351 32.201 32.600 -0.081 0.000 1.394 308 M HN 0.445 nan 8.290 nan 0.000 0.426 309 W N -0.867 120.455 121.300 0.036 0.000 3.256 309 W HA 0.141 4.801 4.660 0.000 0.000 0.269 309 W C 0.135 176.733 176.519 0.131 0.000 1.310 309 W CA -0.465 56.931 57.345 0.085 0.000 1.673 309 W CB -1.542 28.006 29.460 0.145 0.000 1.115 309 W HN 0.107 nan 8.180 nan 0.000 0.686 310 H N 2.753 121.760 119.070 -0.105 0.000 3.070 310 H HA -0.094 4.462 4.556 0.000 0.000 0.313 310 H C 1.320 176.676 175.328 0.045 0.000 0.997 310 H CA 0.716 56.742 56.048 -0.036 0.000 1.438 310 H CB 1.434 31.126 29.762 -0.118 0.000 1.455 310 H HN 0.079 nan 8.280 nan 0.000 0.575 311 L N 5.057 126.277 121.223 -0.005 0.000 2.151 311 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 311 L C 1.626 178.540 176.870 0.075 0.000 1.084 311 L CA 1.928 56.783 54.840 0.025 0.000 0.764 311 L CB -0.285 41.755 42.059 -0.031 0.000 0.891 311 L HN 0.712 nan 8.230 nan 0.000 0.435 312 E N -1.418 118.912 120.200 0.217 0.000 2.476 312 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 312 E C 2.100 178.653 176.600 -0.079 0.000 1.064 312 E CA 0.383 56.815 56.400 0.052 0.000 0.866 312 E CB 0.087 29.788 29.700 0.003 0.000 0.952 312 E HN 0.433 nan 8.360 nan 0.000 0.492 313 V N 1.406 121.300 119.914 -0.033 0.000 2.380 313 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 313 V C 1.870 177.900 176.094 -0.107 0.000 1.063 313 V CA 2.081 64.319 62.300 -0.103 0.000 1.055 313 V CB -0.087 31.751 31.823 0.025 0.000 0.657 313 V HN 0.263 nan 8.190 nan 0.000 0.455 314 E N -0.522 119.635 120.200 -0.071 0.000 2.110 314 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 314 E C 2.383 178.922 176.600 -0.102 0.000 0.988 314 E CA 1.523 57.882 56.400 -0.068 0.000 0.804 314 E CB -0.163 29.509 29.700 -0.046 0.000 0.745 314 E HN 0.606 nan 8.360 nan 0.000 0.458 315 S N 0.519 116.140 115.700 -0.132 0.000 2.387 315 S HA -0.050 4.420 4.470 -0.000 0.000 0.226 315 S C 1.925 176.384 174.600 -0.236 0.000 1.026 315 S CA 0.591 58.693 58.200 -0.163 0.000 0.972 315 S CB -0.045 63.055 63.200 -0.167 0.000 0.814 315 S HN 0.196 nan 8.310 nan 0.000 0.477 316 L N 0.718 121.742 121.223 -0.331 0.000 2.056 316 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 316 L C 2.102 178.766 176.870 -0.343 0.000 1.078 316 L CA 0.649 55.200 54.840 -0.483 0.000 0.749 316 L CB -0.569 40.943 42.059 -0.912 0.000 0.901 316 L HN 0.279 nan 8.230 nan 0.000 0.433 317 L N 0.050 121.168 121.223 -0.174 0.000 2.187 317 L HA -0.124 4.216 4.340 -0.000 0.000 0.213 317 L C 2.149 178.955 176.870 -0.107 0.000 1.100 317 L CA 1.568 56.367 54.840 -0.069 0.000 0.765 317 L CB -0.713 41.330 42.059 -0.027 0.000 0.904 317 L HN 0.250 nan 8.230 nan 0.000 0.437 318 V N -5.054 114.784 119.914 -0.128 0.000 3.444 318 V HA 0.114 4.234 4.120 -0.000 0.000 0.308 318 V C 1.902 177.928 176.094 -0.113 0.000 1.371 318 V CA 0.056 62.297 62.300 -0.098 0.000 1.141 318 V CB -0.521 31.257 31.823 -0.075 0.000 1.037 318 V HN 0.214 nan 8.190 nan 0.000 0.433 319 L N -0.113 120.999 121.223 -0.184 0.000 2.127 319 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 319 L C 2.582 179.431 176.870 -0.036 0.000 1.089 319 L CA 1.800 56.549 54.840 -0.151 0.000 0.757 319 L CB -0.426 41.455 42.059 -0.297 0.000 0.899 319 L HN 0.346 nan 8.230 nan 0.000 0.434 320 K N -0.913 119.481 120.400 -0.011 0.000 2.361 320 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 320 K C 0.772 177.359 176.600 -0.021 0.000 1.039 320 K CA -0.307 55.992 56.287 0.020 0.000 1.001 320 K CB -0.009 32.527 32.500 0.060 0.000 0.795 320 K HN 0.197 nan 8.250 nan 0.000 0.495 321 N N 2.050 120.733 118.700 -0.029 0.000 2.356 321 N HA -0.080 4.660 4.740 -0.000 0.000 0.252 321 N C 0.126 175.619 175.510 -0.028 0.000 1.241 321 N CA 0.464 53.497 53.050 -0.029 0.000 0.861 321 N CB 0.539 39.006 38.487 -0.033 0.000 1.075 321 N HN 0.155 nan 8.380 nan 0.000 0.461 322 N N 2.156 120.843 118.700 -0.022 0.000 2.054 322 N HA -0.132 4.608 4.740 -0.000 0.000 0.193 322 N C -0.150 175.350 175.510 -0.015 0.000 1.066 322 N CA 0.883 53.923 53.050 -0.018 0.000 0.853 322 N CB -0.152 38.328 38.487 -0.011 0.000 1.048 322 N HN 0.606 nan 8.380 nan 0.000 0.431 323 R N 1.071 121.563 120.500 -0.014 0.000 2.723 323 R HA 0.272 4.612 4.340 -0.000 0.000 0.358 323 R C -0.123 176.166 176.300 -0.018 0.000 0.966 323 R CA 0.053 56.145 56.100 -0.014 0.000 1.022 323 R CB -0.603 29.689 30.300 -0.012 0.000 0.945 323 R HN 0.262 nan 8.270 nan 0.000 0.420 324 G N 0.990 109.780 108.800 -0.018 0.000 2.559 324 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 324 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 324 G C -1.376 173.513 174.900 -0.018 0.000 1.424 324 G CA -0.818 44.268 45.100 -0.022 0.000 0.786 324 G HN 0.363 nan 8.290 nan 0.000 0.485 325 V N 0.516 120.417 119.914 -0.022 0.000 2.775 325 V HA 0.258 4.378 4.120 -0.000 0.000 0.299 325 V C 1.448 177.532 176.094 -0.017 0.000 1.062 325 V CA 0.033 62.321 62.300 -0.019 0.000 1.063 325 V CB 1.432 33.241 31.823 -0.023 0.000 0.994 325 V HN 0.808 nan 8.190 nan 0.000 0.483 326 E N 3.998 124.193 120.200 -0.009 0.000 2.160 326 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 326 E C 1.967 178.563 176.600 -0.006 0.000 0.991 326 E CA 1.502 57.902 56.400 -0.000 0.000 0.810 326 E CB -0.564 29.140 29.700 0.007 0.000 0.742 326 E HN 0.937 nan 8.360 nan 0.000 0.466 327 G N 0.599 109.387 108.800 -0.020 0.000 2.471 327 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 327 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 327 G C 1.315 176.188 174.900 -0.045 0.000 1.125 327 G CA 0.273 45.353 45.100 -0.034 0.000 0.775 327 G HN 0.293 nan 8.290 nan 0.000 0.548 328 N N -0.337 118.337 118.700 -0.043 0.000 2.336 328 N HA 0.101 4.841 4.740 -0.000 0.000 0.189 328 N C -0.075 175.402 175.510 -0.054 0.000 1.113 328 N CA -0.180 52.835 53.050 -0.059 0.000 0.858 328 N CB 0.375 38.827 38.487 -0.057 0.000 0.970 328 N HN -0.014 nan 8.380 nan 0.000 0.471 329 R N 0.802 121.286 120.500 -0.026 0.000 2.628 329 R HA 0.430 4.770 4.340 -0.000 0.000 0.288 329 R C -1.158 175.166 176.300 0.038 0.000 0.980 329 R CA -0.622 55.473 56.100 -0.008 0.000 0.891 329 R CB 2.134 32.429 30.300 -0.009 0.000 1.188 329 R HN -0.250 nan 8.270 nan 0.000 0.450 330 V N 4.151 124.114 119.914 0.081 0.000 2.380 330 V HA 0.359 4.479 4.120 -0.000 0.000 0.272 330 V C 0.969 177.166 176.094 0.173 0.000 1.011 330 V CA -0.473 61.930 62.300 0.173 0.000 0.826 330 V CB 1.311 33.316 31.823 0.303 0.000 1.040 330 V HN 0.672 nan 8.190 nan 0.000 0.441 331 R N 0.617 121.123 120.500 0.010 0.000 2.254 331 R HA 0.186 4.526 4.340 -0.000 0.000 0.195 331 R C 0.666 176.780 176.300 -0.309 0.000 0.957 331 R CA 0.373 56.365 56.100 -0.178 0.000 1.024 331 R CB 0.274 30.365 30.300 -0.347 0.000 0.952 331 R HN 0.701 nan 8.270 nan 0.000 0.484 332 H N -0.365 118.761 119.070 0.093 0.000 2.524 332 H HA 0.325 4.880 4.556 -0.001 0.000 0.297 332 H C 0.001 175.343 175.328 0.022 0.000 1.115 332 H CA 0.193 56.275 56.048 0.056 0.000 1.027 332 H CB 0.181 29.974 29.762 0.053 0.000 1.591 332 H HN 0.021 nan 8.280 nan 0.000 0.543 333 M N 0.552 120.165 119.600 0.021 0.000 2.550 333 M HA 0.243 4.723 4.480 -0.000 0.000 0.292 333 M C -0.837 175.233 176.300 -0.383 0.000 1.221 333 M CA -0.822 54.377 55.300 -0.168 0.000 0.873 333 M CB 2.837 35.283 32.600 -0.257 0.000 1.727 333 M HN -0.024 nan 8.290 nan 0.000 0.459 334 D N 0.377 120.530 120.400 -0.412 0.000 2.387 334 D HA 0.558 5.198 4.640 -0.000 0.000 0.255 334 D C -1.484 174.333 176.300 -0.806 0.000 1.081 334 D CA 0.198 53.944 54.000 -0.424 0.000 0.994 334 D CB 1.131 41.894 40.800 -0.063 0.000 1.127 334 D HN 0.318 nan 8.370 nan 0.000 0.513 335 Y N -1.159 118.972 120.300 -0.281 0.000 2.442 335 Y HA 0.515 5.064 4.550 -0.001 0.000 0.344 335 Y C 0.637 176.292 175.900 -0.409 0.000 0.976 335 Y CA -1.140 56.782 58.100 -0.296 0.000 1.040 335 Y CB 2.415 40.834 38.460 -0.068 0.000 1.228 335 Y HN 0.330 nan 8.280 nan 0.000 0.451 336 G N 1.860 110.354 108.800 -0.509 0.000 2.437 336 G HA2 0.532 4.492 3.960 -0.000 0.000 0.315 336 G HA3 0.532 4.492 3.960 -0.000 0.000 0.315 336 G C -1.271 173.435 174.900 -0.322 0.000 1.210 336 G CA -0.626 44.274 45.100 -0.333 0.000 0.943 336 G HN 0.444 nan 8.290 nan 0.000 0.471 337 V N 2.675 122.440 119.914 -0.248 0.000 2.498 337 V HA 0.266 4.385 4.120 -0.000 0.000 0.279 337 V C 0.196 176.255 176.094 -0.057 0.000 1.048 337 V CA -0.440 61.669 62.300 -0.318 0.000 0.967 337 V CB 1.140 32.852 31.823 -0.185 0.000 0.988 337 V HN 0.734 nan 8.190 nan 0.000 0.473 338 Q N 4.564 124.360 119.800 -0.006 0.000 2.314 338 Q HA 0.697 5.037 4.340 -0.000 0.000 0.259 338 Q C -0.959 175.131 176.000 0.151 0.000 0.951 338 Q CA -0.210 55.669 55.803 0.126 0.000 0.909 338 Q CB 2.056 30.947 28.738 0.254 0.000 1.236 338 Q HN 0.678 nan 8.270 nan 0.000 0.444 339 I N 1.875 122.473 120.570 0.047 0.000 2.689 339 I HA 0.488 4.658 4.170 -0.000 0.000 0.299 339 I C -0.426 175.617 176.117 -0.124 0.000 1.059 339 I CA -1.121 60.162 61.300 -0.027 0.000 1.055 339 I CB 1.890 39.767 38.000 -0.205 0.000 1.243 339 I HN 0.640 nan 8.210 nan 0.000 0.425 340 N N 3.418 122.026 118.700 -0.154 0.000 3.038 340 N HA 0.310 5.050 4.740 -0.000 0.000 0.307 340 N C 0.157 175.630 175.510 -0.062 0.000 1.441 340 N CA -1.007 51.931 53.050 -0.186 0.000 0.772 340 N CB 1.115 39.320 38.487 -0.470 0.000 1.651 340 N HN 0.554 nan 8.380 nan 0.000 0.593 341 K N -0.462 119.924 120.400 -0.022 0.000 2.103 341 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 341 K C 1.658 178.271 176.600 0.021 0.000 1.048 341 K CA 0.934 57.220 56.287 -0.003 0.000 0.930 341 K CB -0.235 32.327 32.500 0.104 0.000 0.716 341 K HN 0.546 nan 8.250 nan 0.000 0.444 342 L N 0.679 121.917 121.223 0.026 0.000 2.046 342 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 342 L C 2.336 179.236 176.870 0.049 0.000 1.077 342 L CA 1.032 55.907 54.840 0.060 0.000 0.747 342 L CB -0.144 41.985 42.059 0.117 0.000 0.896 342 L HN 0.271 nan 8.230 nan 0.000 0.432 343 M N -1.210 118.402 119.600 0.020 0.000 2.117 343 M HA -0.242 4.238 4.480 -0.000 0.000 0.262 343 M C 2.318 178.659 176.300 0.070 0.000 1.065 343 M CA 1.828 57.165 55.300 0.061 0.000 1.114 343 M CB -1.366 31.240 32.600 0.011 0.000 1.361 343 M HN 0.259 nan 8.290 nan 0.000 0.408 344 Y N 0.982 121.293 120.300 0.017 0.000 2.181 344 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 344 Y C 2.778 178.576 175.900 -0.169 0.000 1.146 344 Y CA 1.685 59.679 58.100 -0.176 0.000 1.164 344 Y CB -1.466 36.771 38.460 -0.372 0.000 0.982 344 Y HN 0.287 nan 8.280 nan 0.000 0.515 345 T N 0.201 114.786 114.554 0.052 0.000 2.684 345 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 345 T C 1.999 176.714 174.700 0.024 0.000 1.036 345 T CA 1.376 63.493 62.100 0.029 0.000 1.148 345 T CB -0.149 68.745 68.868 0.043 0.000 0.863 345 T HN 0.186 nan 8.240 nan 0.000 0.436 346 R N 0.753 121.284 120.500 0.051 0.000 2.105 346 R HA 0.008 4.348 4.340 -0.000 0.000 0.239 346 R C 2.365 178.680 176.300 0.025 0.000 1.135 346 R CA 0.782 56.922 56.100 0.067 0.000 0.967 346 R CB -1.248 29.128 30.300 0.127 0.000 0.861 346 R HN 0.344 nan 8.270 nan 0.000 0.442 347 L N 1.067 122.260 121.223 -0.050 0.000 1.994 347 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 347 L C 2.208 179.013 176.870 -0.108 0.000 1.071 347 L CA 1.598 56.338 54.840 -0.167 0.000 0.745 347 L CB -0.706 41.003 42.059 -0.583 0.000 0.892 347 L HN 0.059 nan 8.230 nan 0.000 0.431 348 L N -0.430 120.738 121.223 -0.092 0.000 2.043 348 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 348 L C 2.164 179.019 176.870 -0.025 0.000 1.075 348 L CA 1.566 56.373 54.840 -0.054 0.000 0.752 348 L CB -0.698 41.337 42.059 -0.040 0.000 0.891 348 L HN 0.271 nan 8.230 nan 0.000 0.432 349 K N 0.409 120.803 120.400 -0.010 0.000 2.522 349 K HA 0.077 4.397 4.320 -0.000 0.000 0.194 349 K C 1.024 177.629 176.600 0.008 0.000 1.026 349 K CA 0.444 56.734 56.287 0.004 0.000 1.119 349 K CB -0.117 32.393 32.500 0.017 0.000 0.856 349 K HN 0.410 nan 8.250 nan 0.000 0.513 350 G N 2.326 111.127 108.800 0.001 0.000 2.416 350 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.301 350 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.301 350 G C -0.094 174.821 174.900 0.025 0.000 0.985 350 G CA 0.782 45.888 45.100 0.010 0.000 0.934 350 G HN 0.462 nan 8.290 nan 0.000 0.513 351 E N -0.701 119.520 120.200 0.035 0.000 3.466 351 E HA 0.467 4.817 4.350 -0.000 0.000 0.265 351 E C -0.395 176.242 176.600 0.063 0.000 1.291 351 E CA -0.824 55.605 56.400 0.047 0.000 1.226 351 E CB 0.487 30.220 29.700 0.055 0.000 1.404 351 E HN 0.193 nan 8.360 nan 0.000 0.697 352 D N -0.093 120.350 120.400 0.071 0.000 2.228 352 D HA 0.424 5.064 4.640 -0.000 0.000 0.247 352 D C -0.813 175.561 176.300 0.124 0.000 0.995 352 D CA -0.350 53.696 54.000 0.078 0.000 0.903 352 D CB 1.228 42.053 40.800 0.043 0.000 1.205 352 D HN 0.174 nan 8.370 nan 0.000 0.459 353 I N 0.958 121.606 120.570 0.129 0.000 2.404 353 I HA 0.216 4.386 4.170 -0.000 0.000 0.293 353 I C -0.059 176.123 176.117 0.109 0.000 0.992 353 I CA -0.409 61.005 61.300 0.189 0.000 1.149 353 I CB 1.744 39.862 38.000 0.198 0.000 1.315 353 I HN 0.082 nan 8.210 nan 0.000 0.446 354 T N 7.110 121.733 114.554 0.116 0.000 2.799 354 T HA 0.520 4.870 4.350 -0.000 0.000 0.286 354 T C -0.101 174.444 174.700 -0.257 0.000 0.973 354 T CA -0.502 61.467 62.100 -0.219 0.000 1.035 354 T CB 0.740 69.289 68.868 -0.531 0.000 0.932 354 T HN 0.260 nan 8.240 nan 0.000 0.469 355 L N 3.600 124.618 121.223 -0.341 0.000 2.307 355 L HA 0.642 4.982 4.340 -0.000 0.000 0.282 355 L C -0.868 175.762 176.870 -0.400 0.000 1.051 355 L CA -0.739 54.008 54.840 -0.156 0.000 0.804 355 L CB 0.630 42.665 42.059 -0.040 0.000 1.197 355 L HN 0.533 nan 8.230 nan 0.000 0.431 356 F N 0.153 120.242 119.950 0.232 0.000 2.565 356 F HA 0.310 4.837 4.527 0.000 0.000 0.313 356 F C 0.448 176.303 175.800 0.093 0.000 1.091 356 F CA -0.684 57.391 58.000 0.126 0.000 0.915 356 F CB 2.171 41.217 39.000 0.077 0.000 1.208 356 F HN 0.318 nan 8.300 nan 0.000 0.453 357 S N 3.201 118.995 115.700 0.156 0.000 2.531 357 S HA 0.230 4.700 4.470 -0.000 0.000 0.279 357 S C -1.707 172.954 174.600 0.102 0.000 1.305 357 S CA -1.146 57.037 58.200 -0.028 0.000 1.058 357 S CB 0.944 64.120 63.200 -0.040 0.000 0.899 357 S HN 0.364 nan 8.310 nan 0.000 0.493 358 P HA -0.114 nan 4.420 nan 0.000 0.217 358 P C 1.435 178.777 177.300 0.070 0.000 1.148 358 P CA 1.248 64.485 63.100 0.229 0.000 0.828 358 P CB -0.098 31.700 31.700 0.163 0.000 0.783 359 S N -1.775 113.918 115.700 -0.011 0.000 2.474 359 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 359 S C 1.262 175.811 174.600 -0.085 0.000 0.997 359 S CA 1.008 59.170 58.200 -0.063 0.000 0.949 359 S CB -0.775 62.370 63.200 -0.092 0.000 0.766 359 S HN 0.108 nan 8.310 nan 0.000 0.517 360 D N 1.325 121.668 120.400 -0.094 0.000 2.369 360 D HA 0.165 4.805 4.640 -0.000 0.000 0.211 360 D C 0.178 176.258 176.300 -0.367 0.000 1.077 360 D CA 0.290 54.190 54.000 -0.166 0.000 0.842 360 D CB 1.130 41.870 40.800 -0.101 0.000 0.947 360 D HN 0.493 nan 8.370 nan 0.000 0.509 361 V N -0.834 118.848 119.914 -0.387 0.000 2.380 361 V HA 0.427 4.547 4.120 -0.000 0.000 0.268 361 V C -2.977 172.929 176.094 -0.314 0.000 1.008 361 V CA -2.228 59.621 62.300 -0.750 0.000 0.823 361 V CB 1.164 32.486 31.823 -0.834 0.000 1.053 361 V HN -0.280 nan 8.190 nan 0.000 0.446 362 P HA 0.350 nan 4.420 nan 0.000 0.264 362 P C 1.276 178.662 177.300 0.143 0.000 1.193 362 P CA 1.828 64.937 63.100 0.014 0.000 0.763 362 P CB 1.034 32.747 31.700 0.022 0.000 0.810 363 G N 2.328 111.217 108.800 0.149 0.000 2.234 363 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 363 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 363 G C 0.876 175.909 174.900 0.221 0.000 0.987 363 G CA 0.228 45.431 45.100 0.173 0.000 0.625 363 G HN 0.522 nan 8.290 nan 0.000 0.532 364 L N -0.847 120.512 121.223 0.227 0.000 2.005 364 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 364 L C 2.429 179.562 176.870 0.439 0.000 1.072 364 L CA 2.530 57.484 54.840 0.190 0.000 0.744 364 L CB -0.481 41.548 42.059 -0.050 0.000 0.895 364 L HN 0.452 nan 8.230 nan 0.000 0.433 365 Y N 1.099 121.669 120.300 0.450 0.000 2.128 365 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 365 Y C 2.340 178.638 175.900 0.662 0.000 1.154 365 Y CA 2.093 60.596 58.100 0.672 0.000 1.149 365 Y CB -0.158 38.639 38.460 0.561 0.000 0.976 365 Y HN 0.292 nan 8.280 nan 0.000 0.505 366 D N -0.081 120.678 120.400 0.598 0.000 2.123 366 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 366 D C 2.239 178.768 176.300 0.382 0.000 0.992 366 D CA 1.604 55.875 54.000 0.451 0.000 0.833 366 D CB -0.601 40.387 40.800 0.313 0.000 0.954 366 D HN 0.481 nan 8.370 nan 0.000 0.455 367 A N 0.156 123.191 122.820 0.358 0.000 1.929 367 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 367 A C 2.019 179.791 177.584 0.312 0.000 1.176 367 A CA 0.603 52.826 52.037 0.310 0.000 0.628 367 A CB -0.908 18.268 19.000 0.292 0.000 0.816 367 A HN 0.198 nan 8.150 nan 0.000 0.444 368 F N 0.109 120.150 119.950 0.151 0.000 2.115 368 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 368 F C 1.665 177.150 175.800 -0.525 0.000 1.092 368 F CA 1.780 59.548 58.000 -0.386 0.000 1.245 368 F CB -0.451 38.314 39.000 -0.391 0.000 0.995 368 F HN 0.264 nan 8.300 nan 0.000 0.481 369 F N -1.036 118.852 119.950 -0.103 0.000 2.317 369 F HA 0.233 4.760 4.527 -0.000 0.000 0.290 369 F C 2.377 178.120 175.800 -0.094 0.000 1.075 369 F CA 0.804 58.689 58.000 -0.191 0.000 1.380 369 F CB -1.172 37.749 39.000 -0.131 0.000 1.093 369 F HN -0.055 nan 8.300 nan 0.000 0.524 370 A N -1.742 121.180 122.820 0.170 0.000 1.997 370 A HA 0.053 4.372 4.320 -0.000 0.000 0.212 370 A C 0.106 177.735 177.584 0.076 0.000 1.178 370 A CA 1.047 53.154 52.037 0.116 0.000 0.698 370 A CB 0.016 19.092 19.000 0.126 0.000 0.842 370 A HN 0.214 nan 8.150 nan 0.000 0.458 371 D N -1.289 119.160 120.400 0.082 0.000 2.365 371 D HA 0.195 4.835 4.640 -0.000 0.000 0.235 371 D C 0.136 176.495 176.300 0.098 0.000 1.368 371 D CA -0.320 53.725 54.000 0.075 0.000 1.001 371 D CB 0.923 41.772 40.800 0.082 0.000 1.364 371 D HN -0.072 nan 8.370 nan 0.000 0.577 372 Q N 1.524 121.361 119.800 0.063 0.000 2.167 372 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 372 Q C 1.245 177.327 176.000 0.137 0.000 0.970 372 Q CA 1.091 56.946 55.803 0.087 0.000 0.855 372 Q CB 0.341 29.099 28.738 0.033 0.000 0.911 372 Q HN 0.604 nan 8.270 nan 0.000 0.438 373 E N 0.638 120.891 120.200 0.088 0.000 2.028 373 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 373 E C 1.935 178.572 176.600 0.062 0.000 0.988 373 E CA 1.038 57.477 56.400 0.066 0.000 0.799 373 E CB -0.098 29.625 29.700 0.037 0.000 0.755 373 E HN 0.373 nan 8.360 nan 0.000 0.447 374 E N 0.611 120.851 120.200 0.066 0.000 2.118 374 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 374 E C 1.875 178.507 176.600 0.054 0.000 0.992 374 E CA 0.832 57.258 56.400 0.045 0.000 0.804 374 E CB -0.457 29.278 29.700 0.059 0.000 0.741 374 E HN 0.193 nan 8.360 nan 0.000 0.458 375 F N 1.233 121.185 119.950 0.004 0.000 2.095 375 F HA -0.149 4.377 4.527 -0.000 0.000 0.298 375 F C 2.237 178.034 175.800 -0.005 0.000 1.104 375 F CA 2.175 60.178 58.000 0.005 0.000 1.232 375 F CB -0.304 38.716 39.000 0.034 0.000 0.987 375 F HN 0.135 nan 8.300 nan 0.000 0.475 376 E N 0.040 120.286 120.200 0.076 0.000 2.051 376 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 376 E C 2.529 179.075 176.600 -0.090 0.000 0.991 376 E CA 1.318 57.726 56.400 0.014 0.000 0.799 376 E CB -0.286 29.460 29.700 0.077 0.000 0.748 376 E HN 0.378 nan 8.360 nan 0.000 0.449 377 R N 0.181 120.620 120.500 -0.101 0.000 2.080 377 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 377 R C 2.456 178.583 176.300 -0.288 0.000 1.137 377 R CA 1.589 57.599 56.100 -0.150 0.000 0.943 377 R CB -0.294 29.938 30.300 -0.114 0.000 0.846 377 R HN 0.254 nan 8.270 nan 0.000 0.431 378 L N -0.562 120.437 121.223 -0.373 0.000 2.093 378 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 378 L C 2.388 178.797 176.870 -0.769 0.000 1.085 378 L CA 1.071 55.507 54.840 -0.674 0.000 0.755 378 L CB -0.557 41.199 42.059 -0.505 0.000 0.904 378 L HN 0.265 nan 8.230 nan 0.000 0.435 379 Y N 1.228 121.096 120.300 -0.720 0.000 2.114 379 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 379 Y C 2.956 178.668 175.900 -0.313 0.000 1.143 379 Y CA 2.186 59.912 58.100 -0.622 0.000 1.135 379 Y CB -0.482 37.489 38.460 -0.815 0.000 0.980 379 Y HN 0.294 nan 8.280 nan 0.000 0.499 380 T N -1.962 112.468 114.554 -0.206 0.000 2.812 380 T HA -0.155 4.195 4.350 -0.000 0.000 0.264 380 T C 1.967 176.547 174.700 -0.200 0.000 1.042 380 T CA 1.373 63.376 62.100 -0.161 0.000 1.140 380 T CB -0.469 68.358 68.868 -0.067 0.000 0.870 380 T HN 0.265 nan 8.240 nan 0.000 0.445 381 K N 0.118 120.347 120.400 -0.286 0.000 2.015 381 K HA -0.215 4.105 4.320 -0.000 0.000 0.216 381 K C 2.139 178.609 176.600 -0.216 0.000 1.052 381 K CA 1.950 58.057 56.287 -0.300 0.000 0.937 381 K CB -0.444 31.768 32.500 -0.480 0.000 0.719 381 K HN 0.366 nan 8.250 nan 0.000 0.446 382 Y N 1.324 121.453 120.300 -0.285 0.000 2.274 382 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 382 Y C 2.087 177.916 175.900 -0.119 0.000 1.145 382 Y CA 1.156 59.052 58.100 -0.341 0.000 1.203 382 Y CB -0.498 37.490 38.460 -0.786 0.000 0.984 382 Y HN 0.291 nan 8.280 nan 0.000 0.533 383 E N -0.209 120.012 120.200 0.035 0.000 2.110 383 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 383 E C 2.046 178.654 176.600 0.013 0.000 0.988 383 E CA 1.240 57.662 56.400 0.037 0.000 0.804 383 E CB -0.044 29.577 29.700 -0.131 0.000 0.745 383 E HN 0.168 nan 8.360 nan 0.000 0.458 384 K N 1.268 121.657 120.400 -0.017 0.000 2.001 384 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 384 K C 0.500 177.103 176.600 0.005 0.000 1.048 384 K CA 0.633 56.910 56.287 -0.016 0.000 0.932 384 K CB -0.404 32.076 32.500 -0.035 0.000 0.715 384 K HN -0.010 nan 8.250 nan 0.000 0.437 385 D N 1.414 121.827 120.400 0.022 0.000 2.502 385 D HA -0.092 4.548 4.640 -0.000 0.000 0.249 385 D C -0.270 176.049 176.300 0.032 0.000 1.188 385 D CA 0.208 54.225 54.000 0.030 0.000 0.890 385 D CB 0.560 41.394 40.800 0.056 0.000 1.140 385 D HN 0.239 nan 8.370 nan 0.000 0.505 386 D N 0.536 120.945 120.400 0.014 0.000 2.368 386 D HA -0.068 4.572 4.640 -0.000 0.000 0.218 386 D C 1.034 177.337 176.300 0.005 0.000 1.112 386 D CA -0.079 53.927 54.000 0.010 0.000 0.834 386 D CB -0.287 40.514 40.800 0.001 0.000 0.953 386 D HN 0.176 nan 8.370 nan 0.000 0.505 387 S N -0.319 115.383 115.700 0.002 0.000 2.605 387 S HA 0.203 4.673 4.470 -0.000 0.000 0.217 387 S C 0.564 175.156 174.600 -0.014 0.000 0.958 387 S CA -0.625 57.571 58.200 -0.007 0.000 0.919 387 S CB -0.510 62.683 63.200 -0.011 0.000 0.780 387 S HN 0.223 nan 8.310 nan 0.000 0.507 388 I N 2.248 122.818 120.570 -0.000 0.000 2.339 388 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 388 I C 0.406 176.551 176.117 0.047 0.000 0.994 388 I CA -0.910 60.389 61.300 -0.001 0.000 1.191 388 I CB 1.517 39.498 38.000 -0.032 0.000 1.343 388 I HN 0.098 nan 8.210 nan 0.000 0.458 389 R N 7.299 127.816 120.500 0.028 0.000 2.538 389 R HA 0.117 4.457 4.340 -0.000 0.000 0.282 389 R C -0.599 175.735 176.300 0.056 0.000 1.009 389 R CA 0.600 56.715 56.100 0.025 0.000 1.063 389 R CB 0.395 30.697 30.300 0.003 0.000 0.945 389 R HN 0.748 nan 8.270 nan 0.000 0.414 390 K N 2.022 122.402 120.400 -0.033 0.000 2.578 390 K HA 0.305 4.624 4.320 -0.000 0.000 0.287 390 K C -1.619 174.877 176.600 -0.174 0.000 1.010 390 K CA -1.151 55.024 56.287 -0.187 0.000 0.889 390 K CB 1.648 33.996 32.500 -0.253 0.000 1.514 390 K HN 0.321 nan 8.250 nan 0.000 0.424 391 Q N 1.276 120.932 119.800 -0.240 0.000 2.284 391 Q HA 0.337 4.677 4.340 -0.000 0.000 0.269 391 Q C -1.369 174.537 176.000 -0.157 0.000 1.026 391 Q CA -0.699 55.016 55.803 -0.148 0.000 0.831 391 Q CB 2.254 30.933 28.738 -0.098 0.000 1.322 391 Q HN 0.613 nan 8.270 nan 0.000 0.419 392 R N 1.012 121.451 120.500 -0.103 0.000 2.404 392 R HA 0.615 4.955 4.340 -0.000 0.000 0.291 392 R C 0.032 176.313 176.300 -0.032 0.000 1.025 392 R CA -0.445 55.612 56.100 -0.071 0.000 0.991 392 R CB 1.075 31.344 30.300 -0.052 0.000 1.053 392 R HN 0.464 nan 8.270 nan 0.000 0.479 393 V N -1.261 118.651 119.914 -0.004 0.000 2.925 393 V HA 0.434 4.554 4.120 -0.000 0.000 0.311 393 V C -0.180 175.941 176.094 0.045 0.000 1.104 393 V CA -1.413 60.898 62.300 0.018 0.000 0.954 393 V CB 2.421 34.256 31.823 0.021 0.000 1.022 393 V HN 0.481 nan 8.190 nan 0.000 0.427 394 K N 2.450 122.877 120.400 0.044 0.000 2.419 394 K HA 0.258 4.578 4.320 -0.000 0.000 0.282 394 K C 1.466 178.125 176.600 0.099 0.000 1.056 394 K CA 0.644 56.967 56.287 0.060 0.000 1.035 394 K CB 1.298 33.826 32.500 0.047 0.000 0.921 394 K HN 1.036 nan 8.250 nan 0.000 0.472 395 A N 4.142 127.038 122.820 0.127 0.000 1.948 395 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 395 A C 2.110 179.851 177.584 0.262 0.000 1.177 395 A CA 2.197 54.368 52.037 0.224 0.000 0.636 395 A CB -0.686 18.431 19.000 0.195 0.000 0.815 395 A HN 0.590 nan 8.150 nan 0.000 0.449 396 V N -1.506 118.490 119.914 0.136 0.000 2.287 396 V HA -0.309 3.810 4.120 -0.000 0.000 0.248 396 V C 2.102 178.278 176.094 0.136 0.000 1.053 396 V CA 2.378 64.746 62.300 0.112 0.000 1.027 396 V CB -1.284 30.572 31.823 0.055 0.000 0.646 396 V HN 0.623 nan 8.190 nan 0.000 0.447 397 E N 0.334 120.597 120.200 0.104 0.000 2.072 397 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 397 E C 2.101 178.751 176.600 0.083 0.000 0.985 397 E CA 1.284 57.730 56.400 0.076 0.000 0.801 397 E CB -0.277 29.451 29.700 0.047 0.000 0.750 397 E HN 0.468 nan 8.360 nan 0.000 0.452 398 L N 0.142 121.422 121.223 0.096 0.000 2.046 398 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 398 L C 1.869 178.746 176.870 0.012 0.000 1.077 398 L CA 1.678 56.543 54.840 0.041 0.000 0.747 398 L CB -0.427 41.646 42.059 0.024 0.000 0.896 398 L HN 0.060 nan 8.230 nan 0.000 0.432 399 F N -0.847 119.114 119.950 0.017 0.000 2.146 399 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 399 F C 2.586 178.399 175.800 0.022 0.000 1.096 399 F CA 1.590 59.602 58.000 0.019 0.000 1.275 399 F CB -0.611 38.403 39.000 0.023 0.000 1.008 399 F HN 0.005 nan 8.300 nan 0.000 0.480 400 S N 0.467 116.288 115.700 0.202 0.000 2.365 400 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 400 S C 1.944 176.580 174.600 0.059 0.000 1.039 400 S CA 1.382 59.646 58.200 0.106 0.000 1.033 400 S CB -0.731 62.513 63.200 0.073 0.000 0.887 400 S HN 0.239 nan 8.310 nan 0.000 0.447 401 L N 1.754 123.002 121.223 0.041 0.000 1.989 401 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 401 L C 2.304 179.176 176.870 0.005 0.000 1.071 401 L CA 1.946 56.793 54.840 0.011 0.000 0.749 401 L CB -0.707 41.352 42.059 -0.001 0.000 0.890 401 L HN 0.365 nan 8.230 nan 0.000 0.431 402 M N -1.750 117.848 119.600 -0.003 0.000 2.065 402 M HA -0.279 4.201 4.480 -0.000 0.000 0.259 402 M C 2.067 178.382 176.300 0.026 0.000 1.069 402 M CA 2.048 57.343 55.300 -0.009 0.000 1.110 402 M CB -0.068 32.489 32.600 -0.070 0.000 1.328 402 M HN 0.291 nan 8.290 nan 0.000 0.405 403 M N -0.089 119.546 119.600 0.059 0.000 2.229 403 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 403 M C 2.089 178.404 176.300 0.025 0.000 1.063 403 M CA 1.612 56.952 55.300 0.066 0.000 1.114 403 M CB -1.667 30.985 32.600 0.088 0.000 1.387 403 M HN 0.522 nan 8.290 nan 0.000 0.420 404 Q N 0.390 120.198 119.800 0.013 0.000 2.046 404 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 404 Q C 1.673 177.671 176.000 -0.004 0.000 0.975 404 Q CA 1.296 57.096 55.803 -0.005 0.000 0.836 404 Q CB 0.194 28.929 28.738 -0.006 0.000 0.896 404 Q HN 0.390 nan 8.270 nan 0.000 0.428 405 E N 0.571 120.771 120.200 -0.001 0.000 2.072 405 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 405 E C 1.984 178.586 176.600 0.005 0.000 0.982 405 E CA 0.872 57.270 56.400 -0.004 0.000 0.803 405 E CB -0.294 29.398 29.700 -0.012 0.000 0.755 405 E HN 0.368 nan 8.360 nan 0.000 0.453 406 R N 0.970 121.481 120.500 0.018 0.000 2.103 406 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 406 R C 2.194 178.527 176.300 0.056 0.000 1.142 406 R CA 1.754 57.879 56.100 0.042 0.000 0.960 406 R CB -0.212 30.137 30.300 0.081 0.000 0.858 406 R HN 0.138 nan 8.270 nan 0.000 0.439 407 A N 0.033 122.873 122.820 0.035 0.000 1.873 407 A HA -0.109 4.210 4.320 -0.000 0.000 0.215 407 A C 2.220 179.817 177.584 0.023 0.000 1.186 407 A CA 1.815 53.867 52.037 0.025 0.000 0.616 407 A CB -0.596 18.389 19.000 -0.027 0.000 0.823 407 A HN 0.473 nan 8.150 nan 0.000 0.442 408 S N -0.338 115.367 115.700 0.007 0.000 2.359 408 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 408 S C 2.116 176.722 174.600 0.009 0.000 1.035 408 S CA 2.102 60.304 58.200 0.003 0.000 1.018 408 S CB -0.577 62.620 63.200 -0.005 0.000 0.876 408 S HN 0.902 nan 8.310 nan 0.000 0.448 409 T N -2.438 112.122 114.554 0.011 0.000 3.023 409 T HA 0.409 4.759 4.350 -0.000 0.000 0.249 409 T C 1.617 176.328 174.700 0.019 0.000 1.050 409 T CA 0.901 63.005 62.100 0.007 0.000 1.088 409 T CB -0.076 68.791 68.868 -0.002 0.000 0.946 409 T HN 0.610 nan 8.240 nan 0.000 0.480 410 G N 2.542 111.371 108.800 0.047 0.000 2.166 410 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 410 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 410 G C 0.744 175.732 174.900 0.146 0.000 0.986 410 G CA 0.369 45.532 45.100 0.106 0.000 0.683 410 G HN 0.604 nan 8.290 nan 0.000 0.527 411 R N -0.641 119.854 120.500 -0.008 0.000 2.616 411 R HA 0.310 4.650 4.340 -0.000 0.000 0.427 411 R C 0.006 175.934 176.300 -0.620 0.000 1.030 411 R CA -0.321 55.626 56.100 -0.255 0.000 1.133 411 R CB 0.671 30.921 30.300 -0.084 0.000 1.444 411 R HN 0.343 nan 8.270 nan 0.000 0.578 412 I N 2.208 122.565 120.570 -0.354 0.000 2.312 412 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 412 I C -0.113 175.883 176.117 -0.202 0.000 1.008 412 I CA -1.327 59.805 61.300 -0.280 0.000 1.226 412 I CB 0.035 37.997 38.000 -0.063 0.000 1.371 412 I HN -0.061 nan 8.210 nan 0.000 0.468 413 Y N 6.317 126.650 120.300 0.056 0.000 2.519 413 Y HA 0.637 5.187 4.550 0.001 0.000 0.324 413 Y C 0.209 176.148 175.900 0.064 0.000 1.214 413 Y CA -1.438 56.701 58.100 0.066 0.000 1.260 413 Y CB 0.989 39.474 38.460 0.042 0.000 1.311 413 Y HN 0.299 nan 8.280 nan 0.000 0.505 414 I N 0.893 121.646 120.570 0.306 0.000 2.498 414 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 414 I C -0.800 175.470 176.117 0.255 0.000 1.032 414 I CA -0.566 60.876 61.300 0.238 0.000 1.073 414 I CB 2.000 40.153 38.000 0.256 0.000 1.251 414 I HN 0.509 nan 8.210 nan 0.000 0.426 415 Q N 5.498 125.440 119.800 0.236 0.000 2.330 415 Q HA 0.428 4.768 4.340 -0.000 0.000 0.269 415 Q C -1.307 174.792 176.000 0.164 0.000 1.022 415 Q CA -0.791 55.139 55.803 0.211 0.000 0.796 415 Q CB 1.345 30.218 28.738 0.224 0.000 1.271 415 Q HN 0.505 nan 8.270 nan 0.000 0.450 416 N N 4.250 123.057 118.700 0.178 0.000 2.555 416 N HA 0.050 4.789 4.740 -0.000 0.000 0.244 416 N C 1.029 176.544 175.510 0.009 0.000 1.114 416 N CA 0.095 53.234 53.050 0.148 0.000 0.963 416 N CB 1.444 40.081 38.487 0.251 0.000 1.276 416 N HN 0.563 nan 8.380 nan 0.000 0.510 417 V N -0.382 119.446 119.914 -0.142 0.000 2.626 417 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 417 V C 1.612 177.584 176.094 -0.204 0.000 1.067 417 V CA 1.442 63.617 62.300 -0.209 0.000 1.081 417 V CB -0.395 31.107 31.823 -0.536 0.000 0.686 417 V HN 0.370 nan 8.190 nan 0.000 0.468 418 D N 0.254 120.497 120.400 -0.263 0.000 2.084 418 D HA -0.262 4.378 4.640 -0.000 0.000 0.194 418 D C 1.972 178.263 176.300 -0.015 0.000 0.990 418 D CA 2.197 56.096 54.000 -0.169 0.000 0.826 418 D CB -1.002 39.699 40.800 -0.166 0.000 0.971 418 D HN 0.514 nan 8.370 nan 0.000 0.453 419 H N 0.076 119.140 119.070 -0.010 0.000 2.390 419 H HA -0.027 4.528 4.556 -0.000 0.000 0.298 419 H C 2.327 177.669 175.328 0.022 0.000 1.106 419 H CA 0.847 56.884 56.048 -0.018 0.000 1.297 419 H CB -0.944 28.785 29.762 -0.056 0.000 1.375 419 H HN 0.305 nan 8.280 nan 0.000 0.509 420 C N 0.679 120.060 119.300 0.135 0.000 2.437 420 C HA -0.016 4.444 4.460 -0.000 0.000 0.283 420 C C 2.116 177.152 174.990 0.077 0.000 1.424 420 C CA 0.525 59.596 59.018 0.089 0.000 1.782 420 C CB -0.490 27.288 27.740 0.064 0.000 1.833 420 C HN 0.588 nan 8.230 nan 0.000 0.532 421 N N -0.395 118.348 118.700 0.071 0.000 2.317 421 N HA -0.031 4.709 4.740 -0.000 0.000 0.199 421 N C 1.764 177.307 175.510 0.055 0.000 1.145 421 N CA 1.260 54.348 53.050 0.064 0.000 0.882 421 N CB -0.104 38.418 38.487 0.059 0.000 1.113 421 N HN 0.647 nan 8.380 nan 0.000 0.486 422 T N -2.266 112.328 114.554 0.068 0.000 3.043 422 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 422 T C 0.559 175.311 174.700 0.087 0.000 1.094 422 T CA 0.902 63.038 62.100 0.059 0.000 1.127 422 T CB -0.120 68.782 68.868 0.056 0.000 0.905 422 T HN 0.074 nan 8.240 nan 0.000 0.490 423 H N 0.791 119.846 119.070 -0.026 0.000 2.675 423 H HA 0.673 5.229 4.556 -0.000 0.000 0.258 423 H C -1.111 174.192 175.328 -0.042 0.000 1.271 423 H CA -0.781 55.231 56.048 -0.060 0.000 1.462 423 H CB 0.485 30.198 29.762 -0.082 0.000 1.467 423 H HN 0.268 nan 8.280 nan 0.000 0.501 424 S N 4.086 119.664 115.700 -0.204 0.000 2.543 424 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 424 S C -2.484 171.958 174.600 -0.263 0.000 1.149 424 S CA -1.086 57.008 58.200 -0.178 0.000 0.866 424 S CB 1.409 64.613 63.200 0.007 0.000 1.111 424 S HN 0.331 nan 8.310 nan 0.000 0.457 425 P HA 0.175 nan 4.420 nan 0.000 0.234 425 P C -0.318 176.594 177.300 -0.647 0.000 1.167 425 P CA 0.556 63.312 63.100 -0.574 0.000 0.763 425 P CB -0.308 31.082 31.700 -0.516 0.000 0.835 426 F N 0.316 120.233 119.950 -0.056 0.000 2.450 426 F HA 0.325 4.852 4.527 -0.000 0.000 0.332 426 F C 0.868 176.637 175.800 -0.052 0.000 1.093 426 F CA -1.408 56.569 58.000 -0.038 0.000 1.003 426 F CB 0.650 39.641 39.000 -0.014 0.000 1.151 426 F HN -0.320 nan 8.300 nan 0.000 0.474 427 D N 4.826 125.305 120.400 0.132 0.000 2.338 427 D HA 0.144 4.784 4.640 -0.000 0.000 0.255 427 D C -1.626 174.717 176.300 0.072 0.000 1.237 427 D CA -2.292 51.742 54.000 0.057 0.000 0.883 427 D CB 1.247 42.058 40.800 0.019 0.000 1.087 427 D HN 0.134 nan 8.370 nan 0.000 0.485 428 P HA -0.083 nan 4.420 nan 0.000 0.225 428 P C 0.760 178.088 177.300 0.046 0.000 1.148 428 P CA 0.580 63.715 63.100 0.059 0.000 0.779 428 P CB 0.203 31.939 31.700 0.061 0.000 0.780 429 A N -1.197 121.644 122.820 0.035 0.000 2.169 429 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 429 A C 2.018 179.608 177.584 0.011 0.000 1.153 429 A CA 0.678 52.732 52.037 0.029 0.000 0.756 429 A CB -0.863 18.150 19.000 0.023 0.000 0.813 429 A HN 0.179 nan 8.150 nan 0.000 0.471 430 I N -2.562 118.009 120.570 0.002 0.000 3.673 430 I HA 0.248 4.418 4.170 -0.000 0.000 0.281 430 I C 1.122 177.210 176.117 -0.048 0.000 1.182 430 I CA 0.744 62.028 61.300 -0.027 0.000 1.391 430 I CB 0.494 38.477 38.000 -0.029 0.000 1.383 430 I HN 0.144 nan 8.210 nan 0.000 0.456 431 A N 2.875 125.681 122.820 -0.023 0.000 3.317 431 A HA 0.477 4.797 4.320 -0.000 0.000 0.307 431 A C -2.642 174.894 177.584 -0.080 0.000 1.003 431 A CA -1.118 50.873 52.037 -0.077 0.000 0.882 431 A CB -0.441 18.526 19.000 -0.056 0.000 1.136 431 A HN -0.067 nan 8.150 nan 0.000 0.488 432 P HA 0.166 nan 4.420 nan 0.000 0.269 432 P C -0.105 177.110 177.300 -0.141 0.000 1.209 432 P CA 0.234 63.303 63.100 -0.051 0.000 0.776 432 P CB 1.320 33.003 31.700 -0.028 0.000 0.876 433 V N 5.233 125.091 119.914 -0.093 0.000 2.385 433 V HA 0.204 4.324 4.120 -0.000 0.000 0.269 433 V C 1.572 177.550 176.094 -0.194 0.000 1.043 433 V CA 0.032 62.249 62.300 -0.138 0.000 0.906 433 V CB 0.292 32.094 31.823 -0.036 0.000 0.995 433 V HN 0.535 nan 8.190 nan 0.000 0.467 434 R N 4.270 124.551 120.500 -0.365 0.000 2.565 434 R HA 0.280 4.620 4.340 -0.000 0.000 0.347 434 R C 0.204 176.262 176.300 -0.403 0.000 1.010 434 R CA -0.114 55.558 56.100 -0.715 0.000 1.126 434 R CB 0.778 30.419 30.300 -1.098 0.000 1.331 434 R HN 0.906 nan 8.270 nan 0.000 0.552 435 Q N -1.841 117.742 119.800 -0.362 0.000 2.854 435 Q HA 0.445 4.785 4.340 -0.000 0.000 0.328 435 Q C -1.297 174.297 176.000 -0.677 0.000 0.808 435 Q CA -0.827 54.589 55.803 -0.646 0.000 0.817 435 Q CB 1.305 29.692 28.738 -0.584 0.000 1.377 435 Q HN -0.073 nan 8.270 nan 0.000 0.497 436 S N -0.634 114.390 115.700 -1.126 0.000 2.911 436 S HA 0.592 5.062 4.470 -0.000 0.000 0.319 436 S C -1.311 173.149 174.600 -0.234 0.000 1.154 436 S CA -0.172 57.733 58.200 -0.492 0.000 0.857 436 S CB 1.182 64.249 63.200 -0.221 0.000 1.279 436 S HN 0.827 nan 8.310 nan 0.000 0.593 437 N N 0.575 119.284 118.700 0.014 0.000 2.776 437 N HA 0.225 4.965 4.740 -0.000 0.000 0.319 437 N C 1.093 176.709 175.510 0.177 0.000 1.316 437 N CA -0.565 52.533 53.050 0.080 0.000 0.890 437 N CB -0.601 37.892 38.487 0.009 0.000 1.165 437 N HN 0.506 nan 8.380 nan 0.000 0.596 438 L N -0.292 120.985 121.223 0.090 0.000 2.021 438 L HA -0.075 4.264 4.340 -0.000 0.000 0.215 438 L C 1.759 178.623 176.870 -0.010 0.000 1.074 438 L CA 2.671 57.547 54.840 0.059 0.000 0.760 438 L CB -1.045 41.034 42.059 0.034 0.000 0.889 438 L HN 0.777 nan 8.230 nan 0.000 0.433 439 A N -2.099 120.686 122.820 -0.058 0.000 2.430 439 A HA 0.358 4.678 4.320 -0.000 0.000 0.243 439 A C 0.925 178.385 177.584 -0.206 0.000 1.254 439 A CA 0.076 52.004 52.037 -0.181 0.000 0.914 439 A CB -0.037 18.886 19.000 -0.128 0.000 0.998 439 A HN 0.390 nan 8.150 nan 0.000 0.515 440 L N -0.596 120.571 121.223 -0.093 0.000 4.291 440 L HA -0.187 4.153 4.340 -0.000 0.000 0.413 440 L C 1.499 178.348 176.870 -0.035 0.000 1.162 440 L CA 1.455 56.270 54.840 -0.042 0.000 0.961 440 L CB -2.131 39.845 42.059 -0.139 0.000 2.095 440 L HN 0.846 nan 8.230 nan 0.000 0.838 441 E N -0.800 119.380 120.200 -0.034 0.000 2.465 441 E HA 0.100 4.449 4.350 -0.000 0.000 0.209 441 E C 0.828 177.426 176.600 -0.003 0.000 0.951 441 E CA -0.079 56.310 56.400 -0.017 0.000 0.997 441 E CB 0.639 30.327 29.700 -0.019 0.000 1.025 441 E HN 0.404 nan 8.360 nan 0.000 0.500 442 I N 2.282 122.846 120.570 -0.009 0.000 2.396 442 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 442 I C -0.112 175.988 176.117 -0.028 0.000 0.999 442 I CA -0.794 60.502 61.300 -0.007 0.000 1.310 442 I CB 1.109 39.101 38.000 -0.013 0.000 1.404 442 I HN 0.110 nan 8.210 nan 0.000 0.496 443 A N 8.295 131.114 122.820 -0.002 0.000 2.651 443 A HA 0.761 5.081 4.320 -0.000 0.000 0.290 443 A C -0.929 176.662 177.584 0.013 0.000 1.185 443 A CA -0.400 51.626 52.037 -0.018 0.000 0.746 443 A CB 0.636 19.643 19.000 0.012 0.000 1.213 443 A HN 0.604 nan 8.150 nan 0.000 0.429 444 L N 1.768 122.936 121.223 -0.091 0.000 2.376 444 L HA 0.605 4.945 4.340 -0.000 0.000 0.258 444 L C -2.657 174.026 176.870 -0.312 0.000 1.013 444 L CA -2.523 52.200 54.840 -0.196 0.000 0.822 444 L CB 2.780 44.773 42.059 -0.111 0.000 1.388 444 L HN 0.327 nan 8.230 nan 0.000 0.413 445 P HA 0.267 nan 4.420 nan 0.000 0.275 445 P C -0.860 176.312 177.300 -0.214 0.000 1.228 445 P CA -0.222 62.657 63.100 -0.369 0.000 0.786 445 P CB 0.986 32.408 31.700 -0.464 0.000 0.927 446 T N -1.190 113.264 114.554 -0.167 0.000 2.838 446 T HA 0.747 5.097 4.350 -0.000 0.000 0.292 446 T C -1.043 173.611 174.700 -0.078 0.000 1.113 446 T CA -0.945 61.093 62.100 -0.104 0.000 1.008 446 T CB 1.789 70.592 68.868 -0.109 0.000 1.259 446 T HN 0.268 nan 8.240 nan 0.000 0.520 447 K N 1.019 121.393 120.400 -0.044 0.000 2.561 447 K HA 0.487 4.807 4.320 -0.000 0.000 0.254 447 K C -3.123 173.470 176.600 -0.013 0.000 0.942 447 K CA -1.770 54.500 56.287 -0.029 0.000 0.818 447 K CB 2.515 35.001 32.500 -0.023 0.000 1.306 447 K HN 0.384 nan 8.250 nan 0.000 0.435 448 P HA 0.058 nan 4.420 nan 0.000 0.269 448 P C -0.995 176.313 177.300 0.013 0.000 1.215 448 P CA -0.414 62.687 63.100 0.001 0.000 0.780 448 P CB 0.505 32.205 31.700 0.000 0.000 0.898 449 L N 2.760 123.997 121.223 0.023 0.000 2.344 449 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 449 L C 1.455 178.347 176.870 0.037 0.000 1.035 449 L CA 0.200 55.059 54.840 0.032 0.000 0.807 449 L CB 0.544 42.627 42.059 0.040 0.000 1.237 449 L HN 0.220 nan 8.230 nan 0.000 0.442 450 N N 0.651 119.372 118.700 0.036 0.000 2.422 450 N HA 0.049 4.789 4.740 -0.000 0.000 0.181 450 N C -0.797 174.740 175.510 0.044 0.000 1.080 450 N CA 0.364 53.437 53.050 0.038 0.000 0.893 450 N CB 0.143 38.649 38.487 0.032 0.000 0.973 450 N HN 0.713 nan 8.380 nan 0.000 0.456 451 D N -2.539 117.889 120.400 0.046 0.000 2.785 451 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 451 D C 0.963 177.290 176.300 0.046 0.000 1.142 451 D CA -0.339 53.688 54.000 0.046 0.000 0.734 451 D CB 0.545 41.367 40.800 0.038 0.000 1.820 451 D HN -0.204 nan 8.370 nan 0.000 0.461 452 V N 1.871 121.813 119.914 0.047 0.000 2.313 452 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 452 V C 1.373 177.491 176.094 0.039 0.000 1.070 452 V CA 1.913 64.240 62.300 0.044 0.000 1.057 452 V CB -0.681 31.162 31.823 0.034 0.000 0.653 452 V HN 0.654 nan 8.190 nan 0.000 0.450 453 N N -0.032 118.688 118.700 0.033 0.000 2.268 453 N HA 0.088 4.828 4.740 -0.000 0.000 0.204 453 N C 0.280 175.809 175.510 0.031 0.000 1.124 453 N CA 0.073 53.141 53.050 0.029 0.000 0.838 453 N CB -0.222 38.278 38.487 0.022 0.000 0.994 453 N HN 0.575 nan 8.380 nan 0.000 0.489 454 D N 1.786 122.207 120.400 0.035 0.000 2.451 454 D HA -0.055 4.585 4.640 -0.000 0.000 0.254 454 D C 1.001 177.324 176.300 0.038 0.000 1.204 454 D CA 0.385 54.405 54.000 0.034 0.000 0.896 454 D CB 0.744 41.565 40.800 0.035 0.000 1.136 454 D HN 0.054 nan 8.370 nan 0.000 0.499 455 E N 2.895 123.117 120.200 0.036 0.000 2.478 455 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 455 E C 0.622 177.254 176.600 0.053 0.000 1.046 455 E CA 0.449 56.875 56.400 0.043 0.000 0.870 455 E CB -0.025 29.698 29.700 0.038 0.000 0.818 455 E HN 0.605 nan 8.360 nan 0.000 0.527 456 N N 0.138 118.864 118.700 0.042 0.000 2.299 456 N HA 0.046 4.785 4.740 -0.000 0.000 0.187 456 N C 0.829 176.360 175.510 0.034 0.000 1.099 456 N CA 0.014 53.085 53.050 0.036 0.000 0.867 456 N CB 0.682 39.180 38.487 0.018 0.000 0.974 456 N HN -0.021 nan 8.380 nan 0.000 0.477 457 G N 0.431 109.255 108.800 0.040 0.000 2.599 457 G HA2 0.218 4.178 3.960 -0.000 0.000 0.264 457 G HA3 0.218 4.178 3.960 -0.000 0.000 0.264 457 G C -0.764 174.171 174.900 0.058 0.000 1.200 457 G CA -0.217 44.905 45.100 0.037 0.000 0.896 457 G HN 0.093 nan 8.290 nan 0.000 0.536 458 E N -0.036 120.191 120.200 0.046 0.000 2.265 458 E HA 0.369 4.719 4.350 -0.000 0.000 0.262 458 E C -0.979 175.637 176.600 0.027 0.000 0.889 458 E CA -0.538 55.901 56.400 0.065 0.000 0.789 458 E CB 1.430 31.188 29.700 0.096 0.000 1.221 458 E HN 0.323 nan 8.360 nan 0.000 0.414 459 I N 3.147 123.736 120.570 0.032 0.000 2.359 459 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 459 I C 0.225 176.334 176.117 -0.013 0.000 0.987 459 I CA -0.524 60.778 61.300 0.004 0.000 1.225 459 I CB 1.668 39.688 38.000 0.033 0.000 1.366 459 I HN 0.538 nan 8.210 nan 0.000 0.466 460 A N 7.909 130.701 122.820 -0.047 0.000 2.363 460 A HA 0.750 5.070 4.320 -0.000 0.000 0.270 460 A C -0.536 177.014 177.584 -0.057 0.000 1.121 460 A CA -0.182 51.825 52.037 -0.050 0.000 0.800 460 A CB 0.341 19.296 19.000 -0.076 0.000 1.052 460 A HN 0.690 nan 8.150 nan 0.000 0.493 461 L N 1.028 122.239 121.223 -0.020 0.000 2.333 461 L HA 0.677 5.017 4.340 -0.000 0.000 0.263 461 L C -0.611 176.269 176.870 0.017 0.000 1.014 461 L CA -0.709 54.125 54.840 -0.011 0.000 0.820 461 L CB 2.265 44.359 42.059 0.057 0.000 1.352 461 L HN 0.751 nan 8.230 nan 0.000 0.421 462 C N 0.316 119.626 119.300 0.016 0.000 2.782 462 C HA 0.644 5.104 4.460 -0.000 0.000 0.328 462 C C -0.112 174.898 174.990 0.032 0.000 1.145 462 C CA -0.191 58.845 59.018 0.031 0.000 1.358 462 C CB 1.868 29.623 27.740 0.025 0.000 1.841 462 C HN 0.849 nan 8.230 nan 0.000 0.477 463 T N 6.153 120.728 114.554 0.035 0.000 2.837 463 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 463 T C -0.371 174.336 174.700 0.010 0.000 0.984 463 T CA -0.222 61.893 62.100 0.025 0.000 1.049 463 T CB 0.685 69.563 68.868 0.017 0.000 0.947 463 T HN 0.534 nan 8.240 nan 0.000 0.472 464 L N 1.789 123.017 121.223 0.009 0.000 2.322 464 L HA 0.848 5.188 4.340 -0.000 0.000 0.269 464 L C 0.264 177.124 176.870 -0.016 0.000 1.012 464 L CA -0.754 54.086 54.840 -0.002 0.000 0.815 464 L CB 1.949 44.016 42.059 0.013 0.000 1.295 464 L HN 0.644 nan 8.230 nan 0.000 0.438 465 S N -0.317 115.354 115.700 -0.049 0.000 2.656 465 S HA 0.819 5.289 4.470 -0.000 0.000 0.265 465 S C -1.729 172.782 174.600 -0.148 0.000 1.132 465 S CA -0.368 57.787 58.200 -0.076 0.000 0.819 465 S CB 1.952 65.100 63.200 -0.088 0.000 1.119 465 S HN 0.835 nan 8.310 nan 0.000 0.476 466 A N 0.688 123.399 122.820 -0.181 0.000 2.574 466 A HA 0.799 5.119 4.320 -0.000 0.000 0.297 466 A C -1.869 175.576 177.584 -0.232 0.000 1.062 466 A CA -0.594 51.315 52.037 -0.214 0.000 0.686 466 A CB 0.581 19.562 19.000 -0.032 0.000 1.285 466 A HN 0.464 nan 8.150 nan 0.000 0.403 467 F N 1.765 121.723 119.950 0.013 0.000 2.427 467 F HA 0.329 4.856 4.527 0.000 0.000 0.352 467 F C 1.041 176.847 175.800 0.010 0.000 1.100 467 F CA -0.594 57.399 58.000 -0.012 0.000 1.191 467 F CB 0.875 39.840 39.000 -0.059 0.000 1.128 467 F HN 0.585 nan 8.300 nan 0.000 0.533 468 N N 4.264 123.097 118.700 0.222 0.000 2.482 468 N HA 0.105 4.845 4.740 -0.000 0.000 0.242 468 N C 0.806 176.411 175.510 0.158 0.000 1.100 468 N CA 0.137 53.294 53.050 0.178 0.000 0.946 468 N CB 0.353 38.944 38.487 0.173 0.000 1.227 468 N HN 0.726 nan 8.380 nan 0.000 0.508 469 L N 1.858 123.157 121.223 0.126 0.000 2.265 469 L HA -0.052 4.288 4.340 -0.000 0.000 0.215 469 L C 1.998 178.993 176.870 0.209 0.000 1.117 469 L CA 1.131 55.980 54.840 0.014 0.000 0.782 469 L CB -0.099 41.818 42.059 -0.236 0.000 0.914 469 L HN 0.538 nan 8.230 nan 0.000 0.441 470 G N -1.133 107.863 108.800 0.326 0.000 2.880 470 G HA2 0.090 4.050 3.960 -0.000 0.000 0.209 470 G HA3 0.090 4.050 3.960 -0.000 0.000 0.209 470 G C 1.370 176.474 174.900 0.340 0.000 1.157 470 G CA 0.567 45.950 45.100 0.471 0.000 0.779 470 G HN 0.410 nan 8.290 nan 0.000 0.539 471 A N 0.189 123.144 122.820 0.225 0.000 2.348 471 A HA 0.534 4.854 4.320 -0.000 0.000 0.224 471 A C 0.729 178.369 177.584 0.094 0.000 1.227 471 A CA -0.183 51.950 52.037 0.160 0.000 0.885 471 A CB -0.202 18.892 19.000 0.156 0.000 0.933 471 A HN 0.521 nan 8.150 nan 0.000 0.506 472 I N -3.217 117.409 120.570 0.094 0.000 2.359 472 I HA 0.399 4.569 4.170 -0.000 0.000 0.294 472 I C 0.414 176.568 176.117 0.062 0.000 0.987 472 I CA -0.654 60.670 61.300 0.040 0.000 1.225 472 I CB 1.001 38.995 38.000 -0.010 0.000 1.366 472 I HN -0.013 nan 8.210 nan 0.000 0.466 473 N N 4.402 123.114 118.700 0.021 0.000 2.250 473 N HA -0.075 4.665 4.740 -0.000 0.000 0.181 473 N C -0.017 175.507 175.510 0.024 0.000 1.017 473 N CA 0.896 53.954 53.050 0.014 0.000 0.866 473 N CB -0.234 38.243 38.487 -0.017 0.000 0.985 473 N HN 0.901 nan 8.380 nan 0.000 0.429 474 N N -1.136 117.571 118.700 0.011 0.000 2.416 474 N HA 0.217 4.957 4.740 -0.000 0.000 0.276 474 N C 0.057 175.568 175.510 0.002 0.000 1.261 474 N CA -0.647 52.414 53.050 0.018 0.000 0.790 474 N CB 1.272 39.757 38.487 -0.004 0.000 1.554 474 N HN -0.259 nan 8.380 nan 0.000 0.481 475 L N -0.158 121.082 121.223 0.027 0.000 2.362 475 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 475 L C 0.687 177.570 176.870 0.022 0.000 1.134 475 L CA 0.834 55.689 54.840 0.024 0.000 0.807 475 L CB -0.316 41.791 42.059 0.080 0.000 0.927 475 L HN 0.688 nan 8.230 nan 0.000 0.447 476 D N -0.022 120.387 120.400 0.014 0.000 2.347 476 D HA -0.117 4.522 4.640 -0.000 0.000 0.215 476 D C 1.868 178.013 176.300 -0.259 0.000 0.976 476 D CA 0.555 54.514 54.000 -0.068 0.000 0.884 476 D CB 0.117 40.928 40.800 0.018 0.000 0.915 476 D HN 0.408 nan 8.370 nan 0.000 0.526 477 E N 0.352 120.433 120.200 -0.197 0.000 2.209 477 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 477 E C 1.955 178.353 176.600 -0.337 0.000 0.993 477 E CA 0.344 56.609 56.400 -0.225 0.000 0.819 477 E CB -0.026 29.580 29.700 -0.156 0.000 0.745 477 E HN 0.338 nan 8.360 nan 0.000 0.477 478 L N 0.795 121.765 121.223 -0.421 0.000 2.456 478 L HA -0.150 4.190 4.340 -0.000 0.000 0.224 478 L C 2.434 178.879 176.870 -0.708 0.000 1.148 478 L CA 0.660 55.165 54.840 -0.559 0.000 0.825 478 L CB -0.250 41.531 42.059 -0.464 0.000 0.937 478 L HN 0.180 nan 8.230 nan 0.000 0.450 479 E N 0.633 120.202 120.200 -1.052 0.000 2.015 479 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 479 E C 1.914 178.278 176.600 -0.394 0.000 0.991 479 E CA 1.449 57.254 56.400 -0.991 0.000 0.802 479 E CB 0.187 29.314 29.700 -0.956 0.000 0.759 479 E HN 0.447 nan 8.360 nan 0.000 0.447 480 E N 0.739 120.756 120.200 -0.305 0.000 2.058 480 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 480 E C 2.181 178.731 176.600 -0.083 0.000 0.997 480 E CA 1.307 57.611 56.400 -0.161 0.000 0.801 480 E CB -0.217 29.389 29.700 -0.156 0.000 0.746 480 E HN 0.299 nan 8.360 nan 0.000 0.450 481 L N 0.365 121.519 121.223 -0.116 0.000 2.083 481 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 481 L C 2.473 179.466 176.870 0.204 0.000 1.083 481 L CA 1.043 55.897 54.840 0.023 0.000 0.752 481 L CB -0.595 41.444 42.059 -0.034 0.000 0.899 481 L HN 0.162 nan 8.230 nan 0.000 0.433 482 A N 0.505 123.374 122.820 0.082 0.000 1.902 482 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 482 A C 2.250 179.933 177.584 0.165 0.000 1.181 482 A CA 1.550 53.719 52.037 0.220 0.000 0.623 482 A CB -0.661 18.401 19.000 0.103 0.000 0.818 482 A HN 0.330 nan 8.150 nan 0.000 0.443 483 I N -0.798 119.831 120.570 0.097 0.000 2.127 483 I HA -0.263 3.906 4.170 -0.000 0.000 0.241 483 I C 2.316 178.555 176.117 0.203 0.000 1.075 483 I CA 1.027 62.403 61.300 0.126 0.000 1.334 483 I CB -0.342 37.726 38.000 0.113 0.000 1.040 483 I HN 0.226 nan 8.210 nan 0.000 0.405 484 L N 0.650 122.018 121.223 0.242 0.000 2.017 484 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 484 L C 2.666 179.793 176.870 0.429 0.000 1.073 484 L CA 2.250 57.321 54.840 0.384 0.000 0.745 484 L CB -1.505 40.758 42.059 0.339 0.000 0.894 484 L HN 0.238 nan 8.230 nan 0.000 0.432 485 A N -1.106 121.905 122.820 0.319 0.000 1.855 485 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 485 A C 2.378 180.033 177.584 0.119 0.000 1.191 485 A CA 1.898 54.075 52.037 0.234 0.000 0.613 485 A CB -0.981 18.084 19.000 0.109 0.000 0.829 485 A HN 0.201 nan 8.150 nan 0.000 0.442 486 V N 0.010 119.985 119.914 0.102 0.000 2.287 486 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 486 V C 2.676 178.766 176.094 -0.006 0.000 1.053 486 V CA 2.414 64.737 62.300 0.039 0.000 1.027 486 V CB -0.876 30.973 31.823 0.044 0.000 0.646 486 V HN 0.513 nan 8.190 nan 0.000 0.447 487 R N -0.103 120.408 120.500 0.018 0.000 2.070 487 R HA -0.102 4.238 4.340 -0.000 0.000 0.233 487 R C 2.507 178.608 176.300 -0.332 0.000 1.137 487 R CA 1.501 57.558 56.100 -0.071 0.000 0.945 487 R CB -0.726 29.583 30.300 0.014 0.000 0.845 487 R HN 0.527 nan 8.270 nan 0.000 0.430 488 A N 1.213 123.805 122.820 -0.379 0.000 1.892 488 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 488 A C 2.165 179.489 177.584 -0.433 0.000 1.188 488 A CA 1.470 53.086 52.037 -0.702 0.000 0.631 488 A CB -0.701 17.976 19.000 -0.538 0.000 0.822 488 A HN 0.215 nan 8.150 nan 0.000 0.447 489 L N -1.213 119.885 121.223 -0.208 0.000 2.109 489 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 489 L C 2.363 179.157 176.870 -0.128 0.000 1.086 489 L CA 1.651 56.408 54.840 -0.140 0.000 0.760 489 L CB -0.637 41.384 42.059 -0.063 0.000 0.910 489 L HN 0.446 nan 8.230 nan 0.000 0.437 490 D N 0.269 120.595 120.400 -0.124 0.000 2.144 490 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 490 D C 2.171 178.403 176.300 -0.113 0.000 0.984 490 D CA 1.293 55.237 54.000 -0.093 0.000 0.834 490 D CB 0.201 40.955 40.800 -0.077 0.000 0.955 490 D HN 0.247 nan 8.370 nan 0.000 0.465 491 A N -0.085 122.614 122.820 -0.202 0.000 1.972 491 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 491 A C 2.079 179.573 177.584 -0.149 0.000 1.169 491 A CA 1.064 52.977 52.037 -0.207 0.000 0.635 491 A CB -0.757 18.014 19.000 -0.382 0.000 0.810 491 A HN 0.387 nan 8.150 nan 0.000 0.446 492 L N -0.139 120.977 121.223 -0.178 0.000 2.141 492 L HA -0.067 4.272 4.340 -0.000 0.000 0.209 492 L C 2.149 179.049 176.870 0.049 0.000 1.094 492 L CA 1.414 56.195 54.840 -0.099 0.000 0.763 492 L CB -0.430 41.527 42.059 -0.171 0.000 0.908 492 L HN 0.412 nan 8.230 nan 0.000 0.437 493 L N -0.745 120.505 121.223 0.045 0.000 2.079 493 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 493 L C 1.811 178.798 176.870 0.196 0.000 1.081 493 L CA 1.292 56.214 54.840 0.137 0.000 0.752 493 L CB -0.792 41.318 42.059 0.085 0.000 0.896 493 L HN 0.315 nan 8.230 nan 0.000 0.433 494 D N -1.600 118.872 120.400 0.120 0.000 2.323 494 D HA -0.130 4.510 4.640 -0.000 0.000 0.209 494 D C 1.769 178.160 176.300 0.152 0.000 0.973 494 D CA 0.744 54.816 54.000 0.120 0.000 0.874 494 D CB 0.206 41.036 40.800 0.051 0.000 0.930 494 D HN 0.321 nan 8.370 nan 0.000 0.521 495 Y N 1.806 122.107 120.300 0.002 0.000 2.347 495 Y HA 0.019 4.568 4.550 -0.000 0.000 0.294 495 Y C 1.199 177.130 175.900 0.052 0.000 1.117 495 Y CA 0.269 58.363 58.100 -0.010 0.000 1.184 495 Y CB 0.233 38.653 38.460 -0.067 0.000 1.047 495 Y HN -0.096 nan 8.280 nan 0.000 0.546 496 Q N 0.700 120.564 119.800 0.107 0.000 2.317 496 Q HA 0.199 4.539 4.340 -0.000 0.000 0.229 496 Q C -0.949 174.882 176.000 -0.282 0.000 0.984 496 Q CA -0.716 55.099 55.803 0.021 0.000 0.911 496 Q CB 0.852 29.652 28.738 0.104 0.000 1.217 496 Q HN 0.094 nan 8.270 nan 0.000 0.501 497 D N 0.248 120.447 120.400 -0.335 0.000 2.283 497 D HA 0.250 4.890 4.640 -0.000 0.000 0.248 497 D C -1.262 174.714 176.300 -0.541 0.000 1.072 497 D CA -0.043 53.764 54.000 -0.322 0.000 0.929 497 D CB 0.583 41.255 40.800 -0.213 0.000 1.182 497 D HN 0.412 nan 8.370 nan 0.000 0.433 498 Y N 1.048 121.344 120.300 -0.006 0.000 2.447 498 Y HA 0.237 4.787 4.550 -0.000 0.000 0.325 498 Y C -1.238 174.638 175.900 -0.041 0.000 0.976 498 Y CA -1.458 56.654 58.100 0.020 0.000 1.280 498 Y CB 1.647 40.129 38.460 0.037 0.000 1.104 498 Y HN 0.228 nan 8.280 nan 0.000 0.486 499 P HA 0.006 nan 4.420 nan 0.000 0.229 499 P C -0.023 177.225 177.300 -0.087 0.000 1.160 499 P CA 1.196 64.212 63.100 -0.141 0.000 0.777 499 P CB 1.130 32.612 31.700 -0.362 0.000 0.814 500 I N 0.355 120.928 120.570 0.005 0.000 2.447 500 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 500 I C -1.882 174.295 176.117 0.100 0.000 1.023 500 I CA -2.706 58.628 61.300 0.057 0.000 1.083 500 I CB 1.781 39.852 38.000 0.118 0.000 1.245 500 I HN -0.323 nan 8.210 nan 0.000 0.434 501 P HA -0.186 nan 4.420 nan 0.000 0.216 501 P C 1.539 178.859 177.300 0.034 0.000 1.154 501 P CA 1.745 64.868 63.100 0.038 0.000 0.865 501 P CB 0.420 32.138 31.700 0.030 0.000 0.789 502 A N -0.445 122.410 122.820 0.059 0.000 2.019 502 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 502 A C 2.277 179.896 177.584 0.058 0.000 1.164 502 A CA 1.962 54.036 52.037 0.062 0.000 0.644 502 A CB -1.431 17.609 19.000 0.067 0.000 0.805 502 A HN 0.224 nan 8.150 nan 0.000 0.449 503 A N -0.207 122.675 122.820 0.103 0.000 1.930 503 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 503 A C 2.081 179.657 177.584 -0.013 0.000 1.176 503 A CA 1.711 53.824 52.037 0.128 0.000 0.632 503 A CB -0.385 18.818 19.000 0.339 0.000 0.819 503 A HN 0.530 nan 8.150 nan 0.000 0.445 504 K N -0.291 120.029 120.400 -0.133 0.000 2.103 504 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 504 K C 2.248 178.606 176.600 -0.402 0.000 1.048 504 K CA 1.230 57.174 56.287 -0.571 0.000 0.930 504 K CB -0.164 32.084 32.500 -0.420 0.000 0.716 504 K HN 0.371 nan 8.250 nan 0.000 0.444 505 R N -0.338 120.045 120.500 -0.195 0.000 2.070 505 R HA -0.106 4.234 4.340 -0.000 0.000 0.233 505 R C 2.467 178.589 176.300 -0.296 0.000 1.137 505 R CA 1.591 57.590 56.100 -0.169 0.000 0.945 505 R CB -0.771 29.567 30.300 0.064 0.000 0.845 505 R HN 0.411 nan 8.270 nan 0.000 0.430 506 G N 0.684 109.406 108.800 -0.129 0.000 2.440 506 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 506 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 506 G C 1.550 176.334 174.900 -0.195 0.000 1.154 506 G CA 1.038 46.081 45.100 -0.096 0.000 0.767 506 G HN 0.444 nan 8.290 nan 0.000 0.552 507 A N 0.312 123.006 122.820 -0.211 0.000 1.872 507 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 507 A C 2.442 179.880 177.584 -0.244 0.000 1.187 507 A CA 1.911 53.848 52.037 -0.167 0.000 0.614 507 A CB -0.290 18.644 19.000 -0.111 0.000 0.826 507 A HN 0.277 nan 8.150 nan 0.000 0.442 508 M N -0.281 119.096 119.600 -0.372 0.000 2.200 508 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 508 M C 2.306 178.306 176.300 -0.499 0.000 1.066 508 M CA 1.309 56.395 55.300 -0.358 0.000 1.127 508 M CB -1.931 30.462 32.600 -0.344 0.000 1.379 508 M HN 0.458 nan 8.290 nan 0.000 0.420 509 G N 1.159 109.448 108.800 -0.852 0.000 2.480 509 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 509 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 509 G C 1.749 176.255 174.900 -0.657 0.000 1.200 509 G CA 0.665 44.832 45.100 -1.555 0.000 0.782 509 G HN 0.494 nan 8.290 nan 0.000 0.554 510 R N -0.845 119.484 120.500 -0.285 0.000 2.335 510 R HA 0.268 4.608 4.340 -0.000 0.000 0.210 510 R C 0.449 176.783 176.300 0.056 0.000 0.892 510 R CA -0.292 55.844 56.100 0.060 0.000 1.048 510 R CB 0.381 30.823 30.300 0.236 0.000 1.067 510 R HN 0.151 nan 8.270 nan 0.000 0.524 511 R N 2.274 122.755 120.500 -0.032 0.000 3.225 511 R HA -0.121 4.219 4.340 -0.000 0.000 0.245 511 R C -0.557 175.768 176.300 0.043 0.000 0.928 511 R CA 1.080 57.176 56.100 -0.007 0.000 0.632 511 R CB -1.999 28.286 30.300 -0.025 0.000 1.038 511 R HN 0.398 nan 8.270 nan 0.000 0.461 512 T N -1.258 113.338 114.554 0.070 0.000 2.832 512 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 512 T C 0.647 175.388 174.700 0.067 0.000 0.968 512 T CA -0.722 61.439 62.100 0.101 0.000 1.107 512 T CB 1.507 70.463 68.868 0.145 0.000 0.916 512 T HN 0.225 nan 8.240 nan 0.000 0.517 513 L N 2.021 123.280 121.223 0.060 0.000 2.323 513 L HA 0.819 5.159 4.340 -0.000 0.000 0.265 513 L C 0.548 177.442 176.870 0.041 0.000 1.012 513 L CA -1.325 53.537 54.840 0.036 0.000 0.820 513 L CB 2.351 44.420 42.059 0.017 0.000 1.334 513 L HN 0.946 nan 8.230 nan 0.000 0.427 514 G N 2.115 110.928 108.800 0.021 0.000 3.113 514 G HA2 0.581 4.541 3.960 -0.000 0.000 0.301 514 G HA3 0.581 4.541 3.960 -0.000 0.000 0.301 514 G C -0.936 173.955 174.900 -0.014 0.000 1.606 514 G CA -0.161 44.951 45.100 0.020 0.000 1.060 514 G HN 0.334 nan 8.290 nan 0.000 0.540 515 I N 2.120 122.671 120.570 -0.031 0.000 2.359 515 I HA 0.658 4.828 4.170 -0.000 0.000 0.294 515 I C 0.947 177.021 176.117 -0.072 0.000 0.987 515 I CA -0.440 60.783 61.300 -0.128 0.000 1.225 515 I CB 2.024 39.885 38.000 -0.233 0.000 1.366 515 I HN 0.446 nan 8.210 nan 0.000 0.466 516 G N 4.933 113.677 108.800 -0.095 0.000 3.257 516 G HA2 0.778 4.737 3.960 -0.000 0.000 0.205 516 G HA3 0.778 4.737 3.960 -0.000 0.000 0.205 516 G C -0.859 174.063 174.900 0.037 0.000 1.234 516 G CA -0.414 44.700 45.100 0.023 0.000 0.918 516 G HN 0.532 nan 8.290 nan 0.000 0.602 517 V N -1.519 118.459 119.914 0.106 0.000 3.040 517 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 517 V C -0.382 175.801 176.094 0.148 0.000 1.115 517 V CA -1.006 61.372 62.300 0.131 0.000 0.998 517 V CB 1.417 33.319 31.823 0.133 0.000 1.042 517 V HN 1.156 nan 8.190 nan 0.000 0.433 518 I N -0.824 119.847 120.570 0.169 0.000 3.042 518 I HA 0.752 4.922 4.170 -0.000 0.000 0.310 518 I C 0.216 176.485 176.117 0.253 0.000 1.117 518 I CA -0.806 60.613 61.300 0.199 0.000 1.003 518 I CB 2.214 40.309 38.000 0.159 0.000 1.228 518 I HN 0.739 nan 8.210 nan 0.000 0.443 519 N N 0.753 119.629 118.700 0.294 0.000 2.776 519 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 519 N C 0.004 175.785 175.510 0.450 0.000 1.111 519 N CA 1.037 54.306 53.050 0.365 0.000 0.711 519 N CB -1.199 37.494 38.487 0.342 0.000 1.065 519 N HN 0.837 nan 8.380 nan 0.000 0.556 520 F N 0.422 120.547 119.950 0.292 0.000 2.146 520 F HA 0.108 4.634 4.527 -0.000 0.000 0.298 520 F C 2.103 178.120 175.800 0.363 0.000 1.096 520 F CA 1.835 60.011 58.000 0.293 0.000 1.275 520 F CB -0.580 38.590 39.000 0.283 0.000 1.008 520 F HN 0.211 nan 8.300 nan 0.000 0.480 521 A N -0.119 122.965 122.820 0.440 0.000 1.865 521 A HA -0.300 4.019 4.320 -0.000 0.000 0.217 521 A C 2.162 179.907 177.584 0.269 0.000 1.191 521 A CA 1.953 54.242 52.037 0.421 0.000 0.623 521 A CB -1.846 17.518 19.000 0.606 0.000 0.826 521 A HN 0.590 nan 8.150 nan 0.000 0.444 522 Y N -1.003 119.455 120.300 0.263 0.000 2.114 522 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 522 Y C 2.230 178.146 175.900 0.026 0.000 1.165 522 Y CA 1.936 60.118 58.100 0.136 0.000 1.148 522 Y CB -1.006 37.611 38.460 0.260 0.000 0.972 522 Y HN 0.456 nan 8.280 nan 0.000 0.504 523 Y N 0.200 120.412 120.300 -0.147 0.000 2.114 523 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 523 Y C 2.266 178.014 175.900 -0.253 0.000 1.165 523 Y CA 2.236 60.210 58.100 -0.211 0.000 1.148 523 Y CB -0.648 37.764 38.460 -0.080 0.000 0.972 523 Y HN 0.185 nan 8.280 nan 0.000 0.504 524 L N -0.552 120.472 121.223 -0.332 0.000 2.017 524 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 524 L C 2.808 179.473 176.870 -0.342 0.000 1.073 524 L CA 1.264 55.842 54.840 -0.436 0.000 0.745 524 L CB -1.224 40.494 42.059 -0.568 0.000 0.894 524 L HN 0.381 nan 8.230 nan 0.000 0.432 525 A N 1.327 123.938 122.820 -0.349 0.000 1.883 525 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 525 A C 2.229 179.574 177.584 -0.397 0.000 1.186 525 A CA 2.226 54.022 52.037 -0.402 0.000 0.624 525 A CB -0.535 18.032 19.000 -0.722 0.000 0.822 525 A HN 0.567 nan 8.150 nan 0.000 0.444 526 K N -1.392 118.707 120.400 -0.501 0.000 2.486 526 K HA -0.069 4.251 4.320 -0.000 0.000 0.194 526 K C 0.750 177.035 176.600 -0.525 0.000 1.033 526 K CA 1.425 57.411 56.287 -0.502 0.000 1.004 526 K CB -0.335 31.793 32.500 -0.620 0.000 0.798 526 K HN 0.586 nan 8.250 nan 0.000 0.495 527 H N 0.298 119.099 119.070 -0.449 0.000 2.529 527 H HA 0.217 4.772 4.556 -0.000 0.000 0.277 527 H C 0.513 175.675 175.328 -0.277 0.000 1.004 527 H CA 0.477 56.297 56.048 -0.380 0.000 1.167 527 H CB 0.933 30.399 29.762 -0.494 0.000 1.445 527 H HN 0.507 nan 8.280 nan 0.000 0.554 528 G N 1.461 110.151 108.800 -0.184 0.000 2.273 528 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.280 528 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.280 528 G C -0.114 174.716 174.900 -0.116 0.000 1.047 528 G CA 0.159 45.173 45.100 -0.144 0.000 0.869 528 G HN 0.177 nan 8.290 nan 0.000 0.502 529 K N -0.863 119.452 120.400 -0.142 0.000 2.306 529 K HA 0.777 5.097 4.320 -0.000 0.000 0.236 529 K C 0.577 177.110 176.600 -0.113 0.000 1.013 529 K CA -0.802 55.410 56.287 -0.126 0.000 0.857 529 K CB 1.627 34.032 32.500 -0.158 0.000 1.214 529 K HN 0.326 nan 8.250 nan 0.000 0.449 530 R N -0.462 119.994 120.500 -0.074 0.000 2.867 530 R HA 0.328 4.668 4.340 -0.000 0.000 0.268 530 R C 0.642 176.947 176.300 0.009 0.000 1.014 530 R CA -0.614 55.489 56.100 0.006 0.000 0.946 530 R CB 0.874 31.212 30.300 0.063 0.000 1.208 530 R HN 0.485 nan 8.270 nan 0.000 0.477 531 Y N -0.082 120.263 120.300 0.075 0.000 2.220 531 Y HA -0.179 4.371 4.550 0.001 0.000 0.291 531 Y C 2.452 178.416 175.900 0.105 0.000 1.129 531 Y CA 1.972 60.149 58.100 0.129 0.000 1.161 531 Y CB 0.231 38.800 38.460 0.182 0.000 0.997 531 Y HN 0.602 nan 8.280 nan 0.000 0.522 532 S N -0.943 114.901 115.700 0.241 0.000 2.528 532 S HA -0.057 4.413 4.470 -0.000 0.000 0.219 532 S C 0.997 175.661 174.600 0.108 0.000 0.985 532 S CA 0.755 59.056 58.200 0.168 0.000 0.914 532 S CB -0.197 63.084 63.200 0.135 0.000 0.776 532 S HN 0.550 nan 8.310 nan 0.000 0.526 533 D N -0.421 120.028 120.400 0.083 0.000 2.433 533 D HA 0.301 4.941 4.640 -0.000 0.000 0.211 533 D C 1.370 177.689 176.300 0.031 0.000 1.114 533 D CA 0.432 54.463 54.000 0.052 0.000 0.837 533 D CB -0.318 40.507 40.800 0.042 0.000 0.984 533 D HN 0.485 nan 8.370 nan 0.000 0.505 534 G N 0.741 109.555 108.800 0.025 0.000 2.179 534 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 534 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 534 G C 1.239 176.134 174.900 -0.008 0.000 0.977 534 G CA 0.874 45.973 45.100 -0.002 0.000 0.641 534 G HN 0.696 nan 8.290 nan 0.000 0.533 535 S N -0.390 115.306 115.700 -0.006 0.000 2.474 535 S HA 0.405 4.875 4.470 -0.000 0.000 0.235 535 S C 2.224 176.805 174.600 -0.031 0.000 0.997 535 S CA 1.286 59.475 58.200 -0.019 0.000 0.949 535 S CB 0.012 63.200 63.200 -0.021 0.000 0.766 535 S HN 1.693 nan 8.310 nan 0.000 0.517 536 A N 1.416 124.217 122.820 -0.032 0.000 2.238 536 A HA 0.272 4.592 4.320 -0.000 0.000 0.210 536 A C 1.777 179.375 177.584 0.024 0.000 1.179 536 A CA 0.200 52.218 52.037 -0.031 0.000 0.827 536 A CB -0.449 18.506 19.000 -0.076 0.000 0.856 536 A HN 0.452 nan 8.150 nan 0.000 0.488 537 N N 1.702 120.408 118.700 0.010 0.000 2.036 537 N HA -0.178 4.562 4.740 -0.000 0.000 0.195 537 N C 1.319 176.870 175.510 0.067 0.000 1.037 537 N CA 1.870 54.931 53.050 0.018 0.000 0.855 537 N CB -0.347 38.123 38.487 -0.028 0.000 1.033 537 N HN 0.454 nan 8.380 nan 0.000 0.423 538 N N 0.235 118.962 118.700 0.044 0.000 2.216 538 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 538 N C 1.687 177.272 175.510 0.125 0.000 1.017 538 N CA 0.275 53.365 53.050 0.067 0.000 0.861 538 N CB -0.432 38.067 38.487 0.020 0.000 0.986 538 N HN 0.173 nan 8.380 nan 0.000 0.428 539 L N 1.216 122.489 121.223 0.083 0.000 2.083 539 L HA -0.058 4.281 4.340 -0.000 0.000 0.209 539 L C 1.882 178.874 176.870 0.204 0.000 1.083 539 L CA 1.660 56.547 54.840 0.079 0.000 0.752 539 L CB -1.052 40.985 42.059 -0.035 0.000 0.899 539 L HN 0.062 nan 8.230 nan 0.000 0.433 540 T N -1.505 113.209 114.554 0.267 0.000 2.777 540 T HA -0.205 4.144 4.350 -0.000 0.000 0.266 540 T C 1.834 176.765 174.700 0.386 0.000 1.040 540 T CA 1.395 63.744 62.100 0.414 0.000 1.141 540 T CB -0.468 68.601 68.868 0.336 0.000 0.868 540 T HN 0.499 nan 8.240 nan 0.000 0.444 541 H N 1.491 120.685 119.070 0.206 0.000 2.319 541 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 541 H C 2.446 177.843 175.328 0.115 0.000 1.092 541 H CA 1.955 58.133 56.048 0.217 0.000 1.302 541 H CB -0.067 29.791 29.762 0.160 0.000 1.373 541 H HN 0.305 nan 8.280 nan 0.000 0.497 542 K N -0.370 120.188 120.400 0.264 0.000 2.026 542 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 542 K C 2.227 178.863 176.600 0.059 0.000 1.048 542 K CA 1.834 58.238 56.287 0.195 0.000 0.929 542 K CB 0.022 32.636 32.500 0.189 0.000 0.713 542 K HN 0.176 nan 8.250 nan 0.000 0.439 543 T N 0.312 114.908 114.554 0.069 0.000 2.708 543 T HA -0.100 4.249 4.350 -0.000 0.000 0.266 543 T C 1.475 176.000 174.700 -0.291 0.000 1.037 543 T CA 1.559 63.608 62.100 -0.085 0.000 1.146 543 T CB -0.283 68.550 68.868 -0.060 0.000 0.865 543 T HN 0.176 nan 8.240 nan 0.000 0.435 544 F N 1.141 120.975 119.950 -0.194 0.000 2.367 544 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 544 F C 2.490 177.879 175.800 -0.685 0.000 1.094 544 F CA 0.464 58.296 58.000 -0.279 0.000 1.409 544 F CB -0.191 38.753 39.000 -0.093 0.000 1.064 544 F HN 0.169 nan 8.300 nan 0.000 0.528 545 E N 0.845 120.402 120.200 -1.073 0.000 2.038 545 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 545 E C 2.406 178.880 176.600 -0.210 0.000 1.000 545 E CA 1.289 57.120 56.400 -0.949 0.000 0.803 545 E CB -0.176 29.204 29.700 -0.533 0.000 0.750 545 E HN 0.331 nan 8.360 nan 0.000 0.448 546 A N 1.155 123.890 122.820 -0.142 0.000 1.908 546 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 546 A C 2.216 179.670 177.584 -0.216 0.000 1.181 546 A CA 1.510 53.413 52.037 -0.223 0.000 0.627 546 A CB -0.708 18.307 19.000 0.025 0.000 0.818 546 A HN 0.332 nan 8.150 nan 0.000 0.445 547 I N -1.011 119.455 120.570 -0.174 0.000 2.099 547 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 547 I C 2.820 178.952 176.117 0.026 0.000 1.066 547 I CA 2.041 63.280 61.300 -0.102 0.000 1.324 547 I CB -0.280 37.644 38.000 -0.127 0.000 1.037 547 I HN 0.395 nan 8.210 nan 0.000 0.401 548 Q N -0.025 119.828 119.800 0.088 0.000 2.119 548 Q HA -0.241 4.099 4.340 -0.000 0.000 0.201 548 Q C 2.030 178.075 176.000 0.074 0.000 0.972 548 Q CA 1.634 57.569 55.803 0.220 0.000 0.847 548 Q CB -0.508 28.517 28.738 0.478 0.000 0.903 548 Q HN 0.546 nan 8.270 nan 0.000 0.433 549 Y N -0.530 119.597 120.300 -0.289 0.000 2.070 549 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 549 Y C 1.512 177.052 175.900 -0.599 0.000 1.148 549 Y CA 2.127 59.740 58.100 -0.811 0.000 1.125 549 Y CB -0.481 37.211 38.460 -1.280 0.000 0.975 549 Y HN 0.188 nan 8.280 nan 0.000 0.492 550 Y N -0.152 119.948 120.300 -0.335 0.000 2.242 550 Y HA -0.188 4.361 4.550 -0.000 0.000 0.291 550 Y C 2.408 178.168 175.900 -0.233 0.000 1.137 550 Y CA 1.271 59.174 58.100 -0.328 0.000 1.181 550 Y CB -0.841 37.469 38.460 -0.251 0.000 0.989 550 Y HN 0.154 nan 8.280 nan 0.000 0.527 551 L N -0.872 120.362 121.223 0.018 0.000 2.017 551 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 551 L C 2.270 179.104 176.870 -0.060 0.000 1.073 551 L CA 1.332 56.203 54.840 0.051 0.000 0.745 551 L CB -0.772 41.362 42.059 0.126 0.000 0.894 551 L HN 0.230 nan 8.230 nan 0.000 0.432 552 L N -0.326 120.812 121.223 -0.142 0.000 2.083 552 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 552 L C 2.696 179.403 176.870 -0.272 0.000 1.083 552 L CA 1.297 56.009 54.840 -0.213 0.000 0.752 552 L CB -0.460 41.477 42.059 -0.203 0.000 0.899 552 L HN 0.264 nan 8.230 nan 0.000 0.433 553 K N 0.323 120.494 120.400 -0.381 0.000 2.025 553 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 553 K C 2.187 178.681 176.600 -0.178 0.000 1.049 553 K CA 1.298 57.373 56.287 -0.353 0.000 0.933 553 K CB -0.099 32.111 32.500 -0.483 0.000 0.714 553 K HN 0.246 nan 8.250 nan 0.000 0.438 554 A N 0.438 123.193 122.820 -0.109 0.000 1.883 554 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 554 A C 2.215 179.765 177.584 -0.058 0.000 1.186 554 A CA 2.263 54.274 52.037 -0.044 0.000 0.624 554 A CB -0.983 18.024 19.000 0.012 0.000 0.822 554 A HN 0.433 nan 8.150 nan 0.000 0.444 555 S N -0.392 115.258 115.700 -0.083 0.000 2.355 555 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 555 S C 2.093 176.615 174.600 -0.129 0.000 1.031 555 S CA 1.421 59.563 58.200 -0.097 0.000 0.993 555 S CB -0.656 62.477 63.200 -0.113 0.000 0.859 555 S HN 0.739 nan 8.310 nan 0.000 0.453 556 N N 0.426 119.032 118.700 -0.157 0.000 2.037 556 N HA -0.209 4.531 4.740 -0.000 0.000 0.196 556 N C 1.631 177.058 175.510 -0.139 0.000 1.034 556 N CA 1.828 54.784 53.050 -0.156 0.000 0.861 556 N CB -0.229 38.166 38.487 -0.153 0.000 1.039 556 N HN 0.585 nan 8.380 nan 0.000 0.427 557 E N 0.198 120.326 120.200 -0.120 0.000 2.106 557 E HA -0.177 4.172 4.350 -0.000 0.000 0.192 557 E C 2.027 178.577 176.600 -0.084 0.000 0.984 557 E CA 0.567 56.904 56.400 -0.104 0.000 0.806 557 E CB -0.089 29.570 29.700 -0.067 0.000 0.750 557 E HN 0.292 nan 8.360 nan 0.000 0.458 558 L N 0.922 122.105 121.223 -0.067 0.000 2.141 558 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 558 L C 2.167 178.984 176.870 -0.087 0.000 1.094 558 L CA 1.611 56.416 54.840 -0.058 0.000 0.763 558 L CB -0.455 41.579 42.059 -0.043 0.000 0.908 558 L HN 0.017 nan 8.230 nan 0.000 0.437 559 A N -0.734 122.018 122.820 -0.113 0.000 1.898 559 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 559 A C 2.296 179.820 177.584 -0.099 0.000 1.181 559 A CA 1.681 53.642 52.037 -0.126 0.000 0.620 559 A CB -0.449 18.439 19.000 -0.186 0.000 0.819 559 A HN 0.460 nan 8.150 nan 0.000 0.442 560 K N -0.662 119.665 120.400 -0.122 0.000 2.152 560 K HA -0.198 4.121 4.320 -0.000 0.000 0.206 560 K C 2.037 178.581 176.600 -0.093 0.000 1.048 560 K CA 1.663 57.863 56.287 -0.145 0.000 0.933 560 K CB -0.063 32.269 32.500 -0.280 0.000 0.721 560 K HN 0.725 nan 8.250 nan 0.000 0.447 561 E N 0.248 120.396 120.200 -0.087 0.000 2.166 561 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 561 E C 1.328 177.880 176.600 -0.080 0.000 0.967 561 E CA 0.615 56.971 56.400 -0.074 0.000 0.840 561 E CB 0.462 30.124 29.700 -0.063 0.000 0.795 561 E HN 0.249 nan 8.360 nan 0.000 0.470 562 Q N -0.978 118.771 119.800 -0.084 0.000 2.157 562 Q HA 0.257 4.597 4.340 -0.000 0.000 0.235 562 Q C -0.500 175.456 176.000 -0.074 0.000 0.803 562 Q CA 0.224 55.974 55.803 -0.089 0.000 0.967 562 Q CB 2.340 31.012 28.738 -0.110 0.000 1.150 562 Q HN 0.234 nan 8.270 nan 0.000 0.482 563 G N 1.422 110.180 108.800 -0.070 0.000 3.067 563 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 563 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 563 G C -0.366 174.482 174.900 -0.087 0.000 1.119 563 G CA -0.567 44.495 45.100 -0.064 0.000 0.790 563 G HN 0.310 nan 8.290 nan 0.000 0.605 564 A N 1.539 124.288 122.820 -0.119 0.000 2.492 564 A HA 0.536 4.856 4.320 -0.000 0.000 0.236 564 A C 1.715 179.269 177.584 -0.050 0.000 1.078 564 A CA 0.686 52.617 52.037 -0.178 0.000 0.773 564 A CB -0.352 18.432 19.000 -0.361 0.000 1.023 564 A HN 2.539 nan 8.150 nan 0.000 0.504 565 C N 0.522 119.825 119.300 0.005 0.000 2.676 565 C HA 0.376 4.835 4.460 -0.000 0.000 0.416 565 C C -1.000 174.051 174.990 0.101 0.000 1.299 565 C CA -1.004 58.036 59.018 0.038 0.000 2.048 565 C CB -0.328 27.447 27.740 0.059 0.000 2.713 565 C HN 0.708 nan 8.230 nan 0.000 0.624 566 P HA -0.140 nan 4.420 nan 0.000 0.218 566 P C 0.662 178.164 177.300 0.337 0.000 1.154 566 P CA 2.010 65.152 63.100 0.071 0.000 0.872 566 P CB -0.061 31.541 31.700 -0.163 0.000 0.790 567 W N -2.411 118.961 121.300 0.120 0.000 3.151 567 W HA 0.346 5.006 4.660 -0.000 0.000 0.424 567 W C 1.271 177.886 176.519 0.160 0.000 1.012 567 W CA -1.356 56.060 57.345 0.119 0.000 2.018 567 W CB -1.690 27.826 29.460 0.092 0.000 1.087 567 W HN -0.061 nan 8.180 nan 0.000 0.740 568 F N 3.222 123.318 119.950 0.244 0.000 2.192 568 F HA -0.315 4.212 4.527 -0.000 0.000 0.301 568 F C 2.066 177.961 175.800 0.160 0.000 1.079 568 F CA 2.079 60.180 58.000 0.169 0.000 1.303 568 F CB -0.297 38.763 39.000 0.101 0.000 1.024 568 F HN -0.061 nan 8.300 nan 0.000 0.494 569 N N 0.710 119.448 118.700 0.064 0.000 2.585 569 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 569 N C 0.849 176.311 175.510 -0.079 0.000 1.102 569 N CA 1.396 54.415 53.050 -0.052 0.000 0.920 569 N CB -0.851 37.673 38.487 0.063 0.000 0.963 569 N HN 0.573 nan 8.380 nan 0.000 0.447 570 E N 0.305 120.497 120.200 -0.013 0.000 2.474 570 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 570 E C 0.185 176.812 176.600 0.044 0.000 1.039 570 E CA 0.098 56.518 56.400 0.033 0.000 0.881 570 E CB 0.256 30.011 29.700 0.092 0.000 0.970 570 E HN 0.489 nan 8.360 nan 0.000 0.486 571 T N -0.908 113.573 114.554 -0.122 0.000 2.913 571 T HA 0.096 4.446 4.350 -0.000 0.000 0.287 571 T C 1.513 176.079 174.700 -0.223 0.000 1.008 571 T CA -0.289 61.685 62.100 -0.209 0.000 1.067 571 T CB 1.620 70.312 68.868 -0.294 0.000 0.996 571 T HN -0.005 nan 8.240 nan 0.000 0.513 572 T N -0.545 113.879 114.554 -0.216 0.000 2.915 572 T HA -0.134 4.215 4.350 -0.000 0.000 0.269 572 T C 1.406 175.999 174.700 -0.179 0.000 1.071 572 T CA 0.775 62.757 62.100 -0.198 0.000 1.132 572 T CB -0.878 67.847 68.868 -0.239 0.000 0.878 572 T HN 0.644 nan 8.240 nan 0.000 0.479 573 Y N 2.257 122.457 120.300 -0.166 0.000 2.165 573 Y HA 0.072 4.622 4.550 -0.000 0.000 0.286 573 Y C 3.040 178.915 175.900 -0.041 0.000 1.155 573 Y CA 0.655 58.727 58.100 -0.046 0.000 1.164 573 Y CB -1.058 37.441 38.460 0.064 0.000 0.978 573 Y HN 0.339 nan 8.280 nan 0.000 0.513 574 A N 0.019 122.688 122.820 -0.252 0.000 1.978 574 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 574 A C 1.872 179.463 177.584 0.011 0.000 1.170 574 A CA 1.616 53.512 52.037 -0.235 0.000 0.636 574 A CB -0.517 18.117 19.000 -0.609 0.000 0.810 574 A HN 0.425 nan 8.150 nan 0.000 0.448 575 K N -0.909 119.476 120.400 -0.025 0.000 2.504 575 K HA 0.273 4.593 4.320 -0.000 0.000 0.199 575 K C 0.903 177.527 176.600 0.040 0.000 1.028 575 K CA 0.360 56.651 56.287 0.006 0.000 1.164 575 K CB -0.227 32.258 32.500 -0.024 0.000 0.877 575 K HN 0.583 nan 8.250 nan 0.000 0.508 576 G N 1.830 110.685 108.800 0.092 0.000 2.203 576 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 576 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 576 G C 0.109 175.061 174.900 0.087 0.000 1.012 576 G CA 0.092 45.262 45.100 0.118 0.000 0.749 576 G HN 0.327 nan 8.290 nan 0.000 0.512 577 I N 0.160 120.748 120.570 0.030 0.000 2.396 577 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 577 I C 0.764 176.837 176.117 -0.073 0.000 0.999 577 I CA -0.676 60.608 61.300 -0.027 0.000 1.310 577 I CB 1.147 39.099 38.000 -0.080 0.000 1.404 577 I HN -0.002 nan 8.210 nan 0.000 0.496 578 L N 7.201 128.407 121.223 -0.028 0.000 2.301 578 L HA 0.472 4.812 4.340 -0.000 0.000 0.264 578 L C -1.541 175.291 176.870 -0.064 0.000 1.016 578 L CA -1.530 53.307 54.840 -0.005 0.000 0.821 578 L CB 1.703 43.880 42.059 0.197 0.000 1.346 578 L HN 0.342 nan 8.230 nan 0.000 0.429 579 P HA -0.187 nan 4.420 nan 0.000 0.217 579 P C 1.358 178.657 177.300 -0.001 0.000 1.148 579 P CA 1.576 64.690 63.100 0.023 0.000 0.828 579 P CB -0.078 31.642 31.700 0.034 0.000 0.783 580 I N -3.452 116.998 120.570 -0.200 0.000 3.176 580 I HA -0.030 4.140 4.170 -0.000 0.000 0.275 580 I C 0.916 177.052 176.117 0.032 0.000 1.298 580 I CA 1.322 62.485 61.300 -0.228 0.000 1.445 580 I CB -0.744 36.949 38.000 -0.511 0.000 1.075 580 I HN -0.246 nan 8.210 nan 0.000 0.482 581 D N 1.009 121.411 120.400 0.003 0.000 2.366 581 D HA -0.001 4.639 4.640 -0.000 0.000 0.205 581 D C 1.819 178.059 176.300 -0.101 0.000 1.022 581 D CA 1.453 55.433 54.000 -0.033 0.000 0.868 581 D CB 0.369 41.151 40.800 -0.030 0.000 0.953 581 D HN 0.583 nan 8.370 nan 0.000 0.514 582 T N -2.395 112.124 114.554 -0.057 0.000 3.058 582 T HA 0.092 4.442 4.350 -0.000 0.000 0.278 582 T C 0.736 175.248 174.700 -0.312 0.000 0.974 582 T CA -0.654 61.391 62.100 -0.092 0.000 0.893 582 T CB -0.541 68.386 68.868 0.098 0.000 1.138 582 T HN 0.121 nan 8.240 nan 0.000 0.529 583 Y N 1.545 121.508 120.300 -0.562 0.000 2.330 583 Y HA 0.657 5.207 4.550 -0.000 0.000 0.341 583 Y C 0.410 175.991 175.900 -0.531 0.000 1.278 583 Y CA -1.785 55.748 58.100 -0.944 0.000 1.453 583 Y CB 0.478 38.477 38.460 -0.767 0.000 1.342 583 Y HN -0.169 nan 8.280 nan 0.000 0.590 584 K N 2.324 122.485 120.400 -0.397 0.000 2.412 584 K HA 0.071 4.390 4.320 -0.000 0.000 0.284 584 K C 0.543 177.014 176.600 -0.215 0.000 1.046 584 K CA 0.220 56.305 56.287 -0.338 0.000 0.999 584 K CB 0.572 32.857 32.500 -0.358 0.000 0.941 584 K HN 0.804 nan 8.250 nan 0.000 0.474 585 K N 2.413 122.627 120.400 -0.311 0.000 2.160 585 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 585 K C 0.558 177.144 176.600 -0.024 0.000 1.047 585 K CA 1.902 58.053 56.287 -0.226 0.000 0.930 585 K CB 0.055 32.425 32.500 -0.216 0.000 0.720 585 K HN 0.651 nan 8.250 nan 0.000 0.450 586 D N 1.023 121.405 120.400 -0.031 0.000 2.311 586 D HA -0.155 4.485 4.640 -0.000 0.000 0.212 586 D C 1.564 177.989 176.300 0.208 0.000 0.972 586 D CA 0.767 54.786 54.000 0.032 0.000 0.887 586 D CB -0.182 40.546 40.800 -0.120 0.000 0.915 586 D HN 0.177 nan 8.370 nan 0.000 0.497 587 L N 0.535 121.890 121.223 0.221 0.000 2.187 587 L HA -0.175 4.164 4.340 -0.000 0.000 0.213 587 L C 1.618 178.556 176.870 0.112 0.000 1.100 587 L CA 0.927 55.879 54.840 0.187 0.000 0.765 587 L CB -0.305 41.819 42.059 0.108 0.000 0.904 587 L HN -0.033 nan 8.230 nan 0.000 0.437 588 D N -0.483 119.996 120.400 0.131 0.000 2.178 588 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 588 D C 2.255 178.580 176.300 0.042 0.000 0.980 588 D CA 1.909 55.949 54.000 0.067 0.000 0.842 588 D CB -0.262 40.579 40.800 0.069 0.000 0.948 588 D HN 0.395 nan 8.370 nan 0.000 0.472 589 T N -1.139 113.463 114.554 0.080 0.000 3.035 589 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 589 T C 1.879 176.620 174.700 0.068 0.000 1.109 589 T CA 0.619 62.766 62.100 0.078 0.000 1.119 589 T CB -0.431 68.503 68.868 0.110 0.000 0.900 589 T HN 0.426 nan 8.240 nan 0.000 0.503 590 I N -2.170 118.430 120.570 0.051 0.000 4.154 590 I HA 0.767 4.937 4.170 -0.000 0.000 0.334 590 I C 0.436 176.517 176.117 -0.060 0.000 1.371 590 I CA -1.033 60.252 61.300 -0.024 0.000 1.110 590 I CB 0.393 38.304 38.000 -0.148 0.000 1.085 590 I HN 0.252 nan 8.210 nan 0.000 0.398 591 A N 2.334 125.117 122.820 -0.061 0.000 2.574 591 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 591 A C -0.761 176.738 177.584 -0.142 0.000 1.062 591 A CA -0.516 51.460 52.037 -0.100 0.000 0.686 591 A CB 1.005 19.937 19.000 -0.113 0.000 1.285 591 A HN 0.313 nan 8.150 nan 0.000 0.403 592 N N 0.430 119.038 118.700 -0.154 0.000 2.305 592 N HA 0.146 4.886 4.740 -0.000 0.000 0.248 592 N C -0.428 174.964 175.510 -0.196 0.000 1.290 592 N CA -0.282 52.672 53.050 -0.160 0.000 0.873 592 N CB 0.425 38.860 38.487 -0.087 0.000 1.261 592 N HN 0.595 nan 8.380 nan 0.000 0.504 593 E N 2.984 123.014 120.200 -0.284 0.000 2.415 593 E HA 0.165 4.515 4.350 -0.000 0.000 0.263 593 E C -2.062 174.365 176.600 -0.288 0.000 0.995 593 E CA -1.172 55.096 56.400 -0.220 0.000 0.915 593 E CB 0.695 30.338 29.700 -0.096 0.000 0.951 593 E HN 0.283 nan 8.360 nan 0.000 0.449 594 P HA 0.083 nan 4.420 nan 0.000 0.276 594 P C -0.492 176.596 177.300 -0.354 0.000 1.252 594 P CA -0.285 62.663 63.100 -0.254 0.000 0.802 594 P CB 0.582 32.140 31.700 -0.238 0.000 1.035 595 L N 2.514 123.646 121.223 -0.150 0.000 2.455 595 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 595 L C 1.792 178.508 176.870 -0.257 0.000 1.174 595 L CA -0.135 54.676 54.840 -0.048 0.000 0.869 595 L CB -0.108 42.031 42.059 0.134 0.000 1.130 595 L HN 0.485 nan 8.230 nan 0.000 0.474 596 H N 2.035 121.077 119.070 -0.047 0.000 2.654 596 H HA 0.142 4.698 4.556 -0.000 0.000 0.264 596 H C -0.336 174.646 175.328 -0.576 0.000 0.954 596 H CA 0.194 56.039 56.048 -0.339 0.000 1.199 596 H CB 0.354 29.810 29.762 -0.511 0.000 1.446 596 H HN 0.416 nan 8.280 nan 0.000 0.516 597 Y N 0.764 121.006 120.300 -0.097 0.000 2.488 597 Y HA 0.186 4.736 4.550 -0.000 0.000 0.325 597 Y C 0.678 176.415 175.900 -0.271 0.000 1.204 597 Y CA -1.171 56.624 58.100 -0.508 0.000 1.229 597 Y CB 0.929 38.508 38.460 -1.470 0.000 1.274 597 Y HN -0.135 nan 8.280 nan 0.000 0.493 598 D N 0.993 121.308 120.400 -0.142 0.000 2.517 598 D HA 0.037 4.676 4.640 -0.000 0.000 0.220 598 D C -0.023 176.383 176.300 0.176 0.000 1.158 598 D CA -0.149 53.894 54.000 0.072 0.000 0.992 598 D CB -0.208 40.641 40.800 0.081 0.000 1.058 598 D HN 0.494 nan 8.370 nan 0.000 0.516 599 W N 1.522 122.943 121.300 0.200 0.000 2.374 599 W HA -0.081 4.579 4.660 -0.000 0.000 0.288 599 W C 2.038 178.666 176.519 0.182 0.000 1.218 599 W CA 0.172 57.663 57.345 0.245 0.000 1.245 599 W CB 0.175 29.761 29.460 0.211 0.000 1.126 599 W HN 0.316 nan 8.180 nan 0.000 0.545 600 E N 0.135 120.538 120.200 0.339 0.000 2.072 600 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 600 E C 2.276 178.983 176.600 0.178 0.000 0.985 600 E CA 1.527 58.063 56.400 0.226 0.000 0.801 600 E CB -1.129 28.672 29.700 0.167 0.000 0.750 600 E HN 0.242 nan 8.360 nan 0.000 0.452 601 A N 1.341 124.257 122.820 0.159 0.000 1.908 601 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 601 A C 2.281 179.936 177.584 0.117 0.000 1.181 601 A CA 1.470 53.581 52.037 0.124 0.000 0.627 601 A CB -0.666 18.400 19.000 0.111 0.000 0.818 601 A HN 0.252 nan 8.150 nan 0.000 0.445 602 L N -0.213 121.087 121.223 0.128 0.000 2.046 602 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 602 L C 2.435 179.381 176.870 0.127 0.000 1.077 602 L CA 2.302 57.182 54.840 0.067 0.000 0.747 602 L CB -0.600 41.438 42.059 -0.036 0.000 0.896 602 L HN 0.463 nan 8.230 nan 0.000 0.432 603 R N -0.571 120.049 120.500 0.200 0.000 2.096 603 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 603 R C 2.086 178.480 176.300 0.158 0.000 1.139 603 R CA 1.912 58.138 56.100 0.209 0.000 0.952 603 R CB -0.191 30.236 30.300 0.210 0.000 0.854 603 R HN 0.428 nan 8.270 nan 0.000 0.436 604 E N -0.151 120.126 120.200 0.129 0.000 2.106 604 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 604 E C 1.915 178.574 176.600 0.098 0.000 0.984 604 E CA 0.963 57.424 56.400 0.101 0.000 0.806 604 E CB -0.325 29.427 29.700 0.086 0.000 0.750 604 E HN 0.220 nan 8.360 nan 0.000 0.458 605 S N 0.151 115.917 115.700 0.110 0.000 2.402 605 S HA -0.036 4.434 4.470 -0.000 0.000 0.229 605 S C 1.990 176.667 174.600 0.129 0.000 1.021 605 S CA 0.419 58.705 58.200 0.143 0.000 0.974 605 S CB -0.050 63.205 63.200 0.091 0.000 0.800 605 S HN 0.143 nan 8.310 nan 0.000 0.484 606 I N 0.960 121.593 120.570 0.106 0.000 2.233 606 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 606 I C 2.493 178.712 176.117 0.171 0.000 1.093 606 I CA 0.914 62.285 61.300 0.119 0.000 1.380 606 I CB -0.231 37.885 38.000 0.192 0.000 1.067 606 I HN 0.138 nan 8.210 nan 0.000 0.413 607 K N 0.150 120.654 120.400 0.174 0.000 2.113 607 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 607 K C 2.066 178.714 176.600 0.080 0.000 1.047 607 K CA 1.886 58.267 56.287 0.157 0.000 0.928 607 K CB -0.367 32.198 32.500 0.108 0.000 0.716 607 K HN 0.369 nan 8.250 nan 0.000 0.446 608 T N -0.616 113.932 114.554 -0.010 0.000 2.866 608 T HA -0.027 4.323 4.350 -0.000 0.000 0.250 608 T C 1.356 175.863 174.700 -0.321 0.000 1.033 608 T CA 1.067 63.048 62.100 -0.198 0.000 1.145 608 T CB -0.082 68.599 68.868 -0.311 0.000 0.866 608 T HN 0.347 nan 8.240 nan 0.000 0.434 609 H N -0.128 118.909 119.070 -0.055 0.000 2.648 609 H HA 0.489 5.045 4.556 -0.000 0.000 0.265 609 H C 1.303 176.472 175.328 -0.265 0.000 0.961 609 H CA 0.218 56.195 56.048 -0.118 0.000 1.185 609 H CB 0.212 29.913 29.762 -0.103 0.000 1.449 609 H HN 0.540 nan 8.280 nan 0.000 0.523 610 G N 0.492 109.115 108.800 -0.294 0.000 2.741 610 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.222 610 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.222 610 G C -0.863 173.595 174.900 -0.737 0.000 1.364 610 G CA -0.443 44.057 45.100 -0.999 0.000 0.866 610 G HN 0.192 nan 8.290 nan 0.000 0.555 611 L N -0.529 120.107 121.223 -0.977 0.000 2.362 611 L HA 0.603 4.943 4.340 -0.000 0.000 0.271 611 L C 1.474 178.184 176.870 -0.267 0.000 1.002 611 L CA -0.972 53.631 54.840 -0.396 0.000 0.818 611 L CB 1.874 43.804 42.059 -0.215 0.000 1.298 611 L HN 0.670 nan 8.230 nan 0.000 0.420 612 R N 1.701 122.101 120.500 -0.167 0.000 2.152 612 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 612 R C -0.401 175.873 176.300 -0.045 0.000 1.117 612 R CA 1.292 57.332 56.100 -0.100 0.000 0.981 612 R CB -0.252 29.997 30.300 -0.084 0.000 0.870 612 R HN 0.703 nan 8.270 nan 0.000 0.451 613 N N -1.388 117.293 118.700 -0.031 0.000 2.352 613 N HA 0.194 4.934 4.740 -0.000 0.000 0.291 613 N C -0.372 175.171 175.510 0.056 0.000 1.040 613 N CA -0.278 52.782 53.050 0.017 0.000 0.864 613 N CB 2.278 40.764 38.487 -0.003 0.000 1.440 613 N HN -0.184 nan 8.380 nan 0.000 0.483 614 S N 0.030 115.811 115.700 0.135 0.000 2.370 614 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 614 S C 0.980 175.611 174.600 0.051 0.000 1.033 614 S CA 1.378 59.665 58.200 0.145 0.000 1.011 614 S CB -0.172 63.211 63.200 0.305 0.000 0.852 614 S HN 0.829 nan 8.310 nan 0.000 0.457 615 T N -1.778 112.837 114.554 0.102 0.000 2.907 615 T HA 0.732 5.082 4.350 -0.000 0.000 0.292 615 T C 0.315 175.058 174.700 0.071 0.000 1.043 615 T CA -0.809 61.348 62.100 0.095 0.000 1.003 615 T CB 1.789 70.746 68.868 0.150 0.000 1.084 615 T HN -0.019 nan 8.240 nan 0.000 0.483 616 L N 1.116 122.382 121.223 0.073 0.000 2.694 616 L HA 0.347 4.687 4.340 -0.000 0.000 0.228 616 L C 1.026 177.940 176.870 0.073 0.000 1.048 616 L CA -0.043 54.832 54.840 0.059 0.000 0.887 616 L CB 0.458 42.546 42.059 0.048 0.000 1.265 616 L HN 0.891 nan 8.230 nan 0.000 0.492 617 S N 0.023 115.784 115.700 0.102 0.000 2.501 617 S HA 0.882 5.352 4.470 -0.000 0.000 0.301 617 S C -0.490 174.165 174.600 0.092 0.000 1.096 617 S CA -0.317 57.950 58.200 0.112 0.000 1.063 617 S CB 2.382 65.686 63.200 0.174 0.000 1.042 617 S HN 0.149 nan 8.310 nan 0.000 0.494 618 A N 2.802 125.667 122.820 0.075 0.000 2.540 618 A HA 0.595 4.915 4.320 -0.000 0.000 0.297 618 A C -1.159 176.457 177.584 0.052 0.000 1.056 618 A CA -0.793 51.277 52.037 0.055 0.000 0.700 618 A CB 0.947 19.971 19.000 0.039 0.000 1.280 618 A HN 0.883 nan 8.150 nan 0.000 0.398 619 L N 4.545 125.793 121.223 0.042 0.000 2.287 619 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 619 L C 0.319 177.202 176.870 0.021 0.000 1.055 619 L CA -0.517 54.348 54.840 0.041 0.000 0.863 619 L CB 0.739 42.809 42.059 0.018 0.000 1.245 619 L HN 0.838 nan 8.230 nan 0.000 0.432 620 M N 3.509 123.126 119.600 0.027 0.000 2.471 620 M HA 0.695 5.175 4.480 -0.000 0.000 0.309 620 M C -2.725 173.593 176.300 0.030 0.000 1.186 620 M CA -2.186 53.123 55.300 0.016 0.000 1.008 620 M CB 0.271 32.881 32.600 0.017 0.000 1.551 620 M HN 0.033 nan 8.290 nan 0.000 0.477 621 P HA 0.397 nan 4.420 nan 0.000 0.278 621 P C -1.254 176.084 177.300 0.063 0.000 1.258 621 P CA -0.350 62.776 63.100 0.043 0.000 0.811 621 P CB 0.915 32.625 31.700 0.018 0.000 1.063 622 S N -1.185 114.564 115.700 0.083 0.000 2.750 622 S HA 0.302 4.771 4.470 -0.000 0.000 0.276 622 S C 0.347 175.002 174.600 0.093 0.000 1.165 622 S CA -0.471 57.784 58.200 0.091 0.000 1.047 622 S CB 1.740 65.000 63.200 0.099 0.000 1.056 622 S HN 0.440 nan 8.310 nan 0.000 0.481 623 E N 3.391 123.645 120.200 0.090 0.000 2.099 623 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 623 E C 1.425 178.065 176.600 0.066 0.000 0.962 623 E CA 1.543 57.990 56.400 0.078 0.000 0.826 623 E CB -0.231 29.516 29.700 0.079 0.000 0.788 623 E HN 0.688 nan 8.360 nan 0.000 0.461 624 T N -0.234 114.367 114.554 0.078 0.000 2.901 624 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 624 T C 1.948 176.707 174.700 0.098 0.000 1.035 624 T CA 0.948 63.085 62.100 0.063 0.000 1.142 624 T CB -0.330 68.588 68.868 0.083 0.000 0.869 624 T HN 0.096 nan 8.240 nan 0.000 0.442 625 S N 2.756 118.554 115.700 0.162 0.000 2.380 625 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 625 S C 2.343 177.037 174.600 0.156 0.000 1.043 625 S CA 1.689 60.011 58.200 0.203 0.000 1.038 625 S CB -0.616 62.687 63.200 0.171 0.000 0.872 625 S HN 0.692 nan 8.310 nan 0.000 0.456 626 S N 1.310 117.076 115.700 0.111 0.000 2.496 626 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 626 S C 1.686 176.314 174.600 0.046 0.000 0.996 626 S CA 0.071 58.324 58.200 0.088 0.000 0.927 626 S CB -0.311 62.948 63.200 0.097 0.000 0.774 626 S HN 0.478 nan 8.310 nan 0.000 0.524 627 Q N 0.651 120.469 119.800 0.030 0.000 2.170 627 Q HA 0.022 4.361 4.340 -0.000 0.000 0.203 627 Q C 1.778 177.769 176.000 -0.015 0.000 0.976 627 Q CA 0.966 56.763 55.803 -0.010 0.000 0.858 627 Q CB -0.316 28.400 28.738 -0.037 0.000 0.907 627 Q HN 0.488 nan 8.270 nan 0.000 0.433 628 I N 0.584 121.172 120.570 0.031 0.000 2.264 628 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 628 I C 1.949 178.070 176.117 0.006 0.000 1.111 628 I CA 1.501 62.873 61.300 0.120 0.000 1.382 628 I CB -0.990 37.176 38.000 0.277 0.000 1.060 628 I HN 0.158 nan 8.210 nan 0.000 0.418 629 S N -0.328 115.275 115.700 -0.162 0.000 2.572 629 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 629 S C 0.785 175.179 174.600 -0.344 0.000 0.963 629 S CA -0.293 57.557 58.200 -0.583 0.000 0.939 629 S CB -0.730 62.257 63.200 -0.356 0.000 0.804 629 S HN 0.564 nan 8.310 nan 0.000 0.480 630 N N 1.121 119.724 118.700 -0.162 0.000 2.714 630 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 630 N C -0.092 175.380 175.510 -0.064 0.000 1.014 630 N CA 0.263 53.262 53.050 -0.085 0.000 0.735 630 N CB -1.113 37.339 38.487 -0.059 0.000 0.924 630 N HN 0.728 nan 8.380 nan 0.000 0.540 631 A N 0.661 123.468 122.820 -0.023 0.000 2.295 631 A HA 0.572 4.892 4.320 -0.000 0.000 0.318 631 A C 0.712 178.349 177.584 0.090 0.000 1.134 631 A CA 0.080 52.140 52.037 0.039 0.000 0.827 631 A CB 0.890 19.937 19.000 0.077 0.000 1.136 631 A HN 0.474 nan 8.150 nan 0.000 0.493 632 T N -0.014 114.637 114.554 0.162 0.000 2.918 632 T HA 0.260 4.610 4.350 -0.000 0.000 0.302 632 T C -0.030 174.786 174.700 0.193 0.000 1.045 632 T CA -0.430 61.784 62.100 0.190 0.000 1.114 632 T CB -0.267 68.773 68.868 0.288 0.000 0.965 632 T HN 0.556 nan 8.240 nan 0.000 0.540 633 N N 2.137 120.933 118.700 0.159 0.000 2.431 633 N HA 0.457 5.197 4.740 -0.000 0.000 0.265 633 N C 1.384 177.004 175.510 0.183 0.000 1.184 633 N CA 0.505 53.643 53.050 0.147 0.000 0.943 633 N CB 0.390 38.943 38.487 0.110 0.000 1.080 633 N HN 1.087 nan 8.380 nan 0.000 0.477 634 G N 2.709 111.617 108.800 0.181 0.000 2.651 634 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.315 634 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.315 634 G C 0.738 175.800 174.900 0.271 0.000 1.258 634 G CA 0.748 45.961 45.100 0.187 0.000 1.002 634 G HN 0.782 nan 8.290 nan 0.000 0.551 635 I N -1.176 119.542 120.570 0.245 0.000 3.875 635 I HA 0.438 4.608 4.170 -0.000 0.000 0.329 635 I C 0.180 176.624 176.117 0.544 0.000 1.295 635 I CA 0.012 61.520 61.300 0.346 0.000 1.129 635 I CB 0.179 38.193 38.000 0.024 0.000 1.008 635 I HN 0.101 nan 8.210 nan 0.000 0.413 636 E N 3.320 123.736 120.200 0.361 0.000 2.331 636 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 636 E C -2.313 174.364 176.600 0.128 0.000 1.036 636 E CA -2.370 54.153 56.400 0.204 0.000 0.864 636 E CB 0.278 30.027 29.700 0.083 0.000 1.035 636 E HN 0.103 nan 8.360 nan 0.000 0.408 637 P HA 0.131 nan 4.420 nan 0.000 0.271 637 P C -2.363 174.843 177.300 -0.157 0.000 1.216 637 P CA -1.139 61.796 63.100 -0.275 0.000 0.771 637 P CB -0.130 31.172 31.700 -0.663 0.000 0.864 638 P HA 0.146 nan 4.420 nan 0.000 0.271 638 P C 0.585 177.772 177.300 -0.188 0.000 1.216 638 P CA 0.000 63.040 63.100 -0.101 0.000 0.776 638 P CB 1.033 32.674 31.700 -0.099 0.000 0.881 639 R N 1.367 121.767 120.500 -0.166 0.000 2.092 639 R HA 0.107 4.447 4.340 -0.000 0.000 0.231 639 R C 1.379 177.610 176.300 -0.115 0.000 1.119 639 R CA 1.385 57.391 56.100 -0.158 0.000 0.970 639 R CB -0.269 30.011 30.300 -0.033 0.000 0.864 639 R HN 0.651 nan 8.270 nan 0.000 0.440 640 G N -2.557 106.161 108.800 -0.137 0.000 2.682 640 G HA2 0.277 4.237 3.960 -0.000 0.000 0.290 640 G HA3 0.277 4.237 3.960 -0.000 0.000 0.290 640 G C -0.773 174.002 174.900 -0.208 0.000 1.425 640 G CA -0.726 44.262 45.100 -0.186 0.000 0.807 640 G HN -0.050 nan 8.290 nan 0.000 0.482 641 Y N -0.661 119.621 120.300 -0.030 0.000 2.263 641 Y HA 0.188 4.738 4.550 0.000 0.000 0.292 641 Y C 1.523 177.342 175.900 -0.134 0.000 1.130 641 Y CA 0.499 58.554 58.100 -0.074 0.000 1.179 641 Y CB 0.031 38.483 38.460 -0.013 0.000 0.998 641 Y HN 0.133 nan 8.280 nan 0.000 0.532 642 V N -0.272 119.666 119.914 0.040 0.000 2.513 642 V HA 0.433 4.553 4.120 -0.000 0.000 0.299 642 V C -0.181 175.907 176.094 -0.010 0.000 1.035 642 V CA -1.100 61.188 62.300 -0.020 0.000 0.889 642 V CB 1.706 33.500 31.823 -0.048 0.000 0.988 642 V HN 0.030 nan 8.190 nan 0.000 0.440 643 S N 4.228 119.920 115.700 -0.013 0.000 2.472 643 S HA 0.820 5.290 4.470 -0.000 0.000 0.303 643 S C -0.982 173.618 174.600 0.001 0.000 1.099 643 S CA -0.436 57.762 58.200 -0.004 0.000 1.077 643 S CB 1.018 64.215 63.200 -0.005 0.000 1.031 643 S HN 0.483 nan 8.310 nan 0.000 0.487 644 I N 3.643 124.217 120.570 0.007 0.000 2.474 644 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 644 I C -0.733 175.391 176.117 0.012 0.000 1.005 644 I CA -0.314 60.992 61.300 0.010 0.000 1.113 644 I CB 2.086 40.092 38.000 0.010 0.000 1.289 644 I HN 0.564 nan 8.210 nan 0.000 0.436 645 K N 4.300 124.707 120.400 0.012 0.000 2.422 645 K HA 0.844 5.164 4.320 -0.000 0.000 0.251 645 K C -0.811 175.797 176.600 0.013 0.000 0.933 645 K CA -0.548 55.744 56.287 0.010 0.000 0.798 645 K CB 2.085 34.585 32.500 -0.001 0.000 1.238 645 K HN 0.591 nan 8.250 nan 0.000 0.428 646 A N 1.304 124.131 122.820 0.012 0.000 2.287 646 A HA 0.750 5.070 4.320 -0.000 0.000 0.273 646 A C -0.355 177.236 177.584 0.011 0.000 1.091 646 A CA 0.006 52.051 52.037 0.014 0.000 0.817 646 A CB 0.274 19.282 19.000 0.013 0.000 1.069 646 A HN 0.825 nan 8.150 nan 0.000 0.492 647 S N -0.413 115.295 115.700 0.014 0.000 2.627 647 S HA 0.357 4.827 4.470 -0.000 0.000 0.268 647 S C 0.006 174.617 174.600 0.018 0.000 1.130 647 S CA -0.196 58.011 58.200 0.012 0.000 0.819 647 S CB 0.915 64.119 63.200 0.006 0.000 1.100 647 S HN 1.016 nan 8.310 nan 0.000 0.465 648 K N -0.005 120.405 120.400 0.017 0.000 2.525 648 K HA 0.085 4.405 4.320 -0.000 0.000 0.192 648 K C -0.514 176.105 176.600 0.031 0.000 1.029 648 K CA 0.798 57.098 56.287 0.022 0.000 1.029 648 K CB -0.420 32.091 32.500 0.019 0.000 0.814 648 K HN 0.606 nan 8.250 nan 0.000 0.503 649 D N 0.777 121.200 120.400 0.038 0.000 2.431 649 D HA 0.186 4.826 4.640 -0.000 0.000 0.213 649 D C 0.633 176.975 176.300 0.071 0.000 1.130 649 D CA 0.691 54.727 54.000 0.060 0.000 0.834 649 D CB 1.072 41.916 40.800 0.073 0.000 0.985 649 D HN 0.464 nan 8.370 nan 0.000 0.504 650 G N 0.836 109.668 108.800 0.053 0.000 2.362 650 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.517 650 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.517 650 G C -0.853 174.077 174.900 0.050 0.000 1.256 650 G CA -0.972 44.157 45.100 0.048 0.000 1.027 650 G HN 0.093 nan 8.290 nan 0.000 0.491 651 I N 1.114 121.709 120.570 0.042 0.000 2.441 651 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 651 I C 0.539 176.701 176.117 0.075 0.000 1.049 651 I CA -0.385 60.938 61.300 0.039 0.000 1.381 651 I CB 0.925 38.934 38.000 0.016 0.000 1.409 651 I HN 0.302 nan 8.210 nan 0.000 0.523 652 L N 7.359 128.624 121.223 0.070 0.000 2.257 652 L HA 0.493 4.833 4.340 -0.000 0.000 0.290 652 L C 0.077 176.985 176.870 0.062 0.000 1.044 652 L CA -0.497 54.403 54.840 0.100 0.000 0.810 652 L CB 0.558 42.638 42.059 0.035 0.000 1.193 652 L HN 0.585 nan 8.230 nan 0.000 0.425 653 R N 2.754 123.300 120.500 0.076 0.000 2.474 653 R HA 0.501 4.841 4.340 -0.000 0.000 0.295 653 R C -0.715 175.600 176.300 0.026 0.000 0.980 653 R CA -0.576 55.541 56.100 0.029 0.000 0.934 653 R CB 2.207 32.508 30.300 0.001 0.000 1.101 653 R HN 0.530 nan 8.270 nan 0.000 0.469 654 Q N 2.042 121.839 119.800 -0.005 0.000 2.285 654 Q HA 0.327 4.667 4.340 -0.000 0.000 0.269 654 Q C -1.555 174.425 176.000 -0.034 0.000 1.030 654 Q CA -0.644 55.145 55.803 -0.023 0.000 0.788 654 Q CB 2.235 30.959 28.738 -0.023 0.000 1.266 654 Q HN 0.360 nan 8.270 nan 0.000 0.438 655 V N 4.166 124.053 119.914 -0.045 0.000 2.439 655 V HA 0.283 4.403 4.120 -0.000 0.000 0.282 655 V C 0.381 176.478 176.094 0.006 0.000 1.039 655 V CA -0.770 61.503 62.300 -0.045 0.000 0.913 655 V CB 1.194 32.972 31.823 -0.075 0.000 0.983 655 V HN 0.704 nan 8.190 nan 0.000 0.460 656 V N 4.184 124.112 119.914 0.023 0.000 2.814 656 V HA 0.161 4.281 4.120 -0.000 0.000 0.307 656 V C -1.924 174.255 176.094 0.141 0.000 1.089 656 V CA -1.241 61.081 62.300 0.037 0.000 1.212 656 V CB -0.516 31.223 31.823 -0.139 0.000 0.912 656 V HN 0.772 nan 8.190 nan 0.000 0.497 657 P HA 0.059 nan 4.420 nan 0.000 0.265 657 P C 0.138 177.569 177.300 0.217 0.000 1.193 657 P CA 0.596 63.687 63.100 -0.015 0.000 0.765 657 P CB 0.183 31.559 31.700 -0.540 0.000 0.823 658 D N 1.270 121.824 120.400 0.256 0.000 2.701 658 D HA -0.275 4.365 4.640 -0.000 0.000 0.235 658 D C 0.523 177.090 176.300 0.446 0.000 1.155 658 D CA 0.606 54.830 54.000 0.375 0.000 0.649 658 D CB -1.568 39.489 40.800 0.428 0.000 1.050 658 D HN 0.492 nan 8.370 nan 0.000 0.425 659 Y N 0.496 120.976 120.300 0.299 0.000 2.114 659 Y HA -0.266 4.284 4.550 0.000 0.000 0.282 659 Y C 2.224 178.253 175.900 0.214 0.000 1.165 659 Y CA 2.756 61.012 58.100 0.260 0.000 1.148 659 Y CB -0.222 38.297 38.460 0.098 0.000 0.972 659 Y HN 0.371 nan 8.280 nan 0.000 0.504 660 E N -0.916 119.396 120.200 0.186 0.000 2.086 660 E HA -0.313 4.037 4.350 -0.000 0.000 0.200 660 E C 1.645 178.150 176.600 -0.159 0.000 1.012 660 E CA 2.025 58.399 56.400 -0.044 0.000 0.812 660 E CB -0.430 29.205 29.700 -0.108 0.000 0.743 660 E HN 0.690 nan 8.360 nan 0.000 0.453 661 H N -1.238 117.886 119.070 0.089 0.000 2.575 661 H HA 0.162 4.718 4.556 -0.000 0.000 0.267 661 H C 1.273 176.577 175.328 -0.039 0.000 0.966 661 H CA 0.501 56.566 56.048 0.028 0.000 1.165 661 H CB 0.704 30.483 29.762 0.028 0.000 1.433 661 H HN 0.237 nan 8.280 nan 0.000 0.544 662 L N 0.857 122.131 121.223 0.084 0.000 3.086 662 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 662 L C 2.168 179.055 176.870 0.030 0.000 1.184 662 L CA -0.056 54.791 54.840 0.012 0.000 1.002 662 L CB 0.096 42.185 42.059 0.051 0.000 1.383 662 L HN 0.280 nan 8.230 nan 0.000 0.582 663 H N -0.436 118.549 119.070 -0.141 0.000 2.394 663 H HA -0.197 4.359 4.556 -0.000 0.000 0.297 663 H C 0.665 176.070 175.328 0.128 0.000 1.113 663 H CA 1.707 57.622 56.048 -0.222 0.000 1.277 663 H CB -0.312 28.814 29.762 -1.060 0.000 1.370 663 H HN 0.363 nan 8.280 nan 0.000 0.506 664 D N 1.072 121.248 120.400 -0.374 0.000 2.277 664 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 664 D C 2.189 178.483 176.300 -0.011 0.000 0.962 664 D CA 0.995 54.916 54.000 -0.132 0.000 0.865 664 D CB 0.024 40.671 40.800 -0.254 0.000 0.939 664 D HN 0.571 nan 8.370 nan 0.000 0.510 665 A N 0.176 122.969 122.820 -0.045 0.000 2.021 665 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 665 A C 0.601 178.179 177.584 -0.011 0.000 1.163 665 A CA 0.199 52.193 52.037 -0.071 0.000 0.676 665 A CB -0.392 18.503 19.000 -0.175 0.000 0.818 665 A HN 0.074 nan 8.150 nan 0.000 0.453 666 Y N 0.569 120.946 120.300 0.128 0.000 2.597 666 Y HA 0.244 4.794 4.550 0.000 0.000 0.336 666 Y C 0.758 176.747 175.900 0.148 0.000 1.216 666 Y CA 0.438 58.647 58.100 0.181 0.000 1.463 666 Y CB 0.404 39.035 38.460 0.284 0.000 1.303 666 Y HN 0.380 nan 8.280 nan 0.000 0.576 667 E N 4.300 124.699 120.200 0.330 0.000 2.149 667 E HA 0.337 4.687 4.350 -0.000 0.000 0.255 667 E C -1.293 175.383 176.600 0.126 0.000 0.888 667 E CA -0.467 56.062 56.400 0.216 0.000 0.742 667 E CB 0.352 30.187 29.700 0.224 0.000 1.164 667 E HN 0.609 nan 8.360 nan 0.000 0.422 668 L N 4.529 125.765 121.223 0.022 0.000 2.483 668 L HA -0.006 4.334 4.340 -0.000 0.000 0.275 668 L C 1.700 178.464 176.870 -0.177 0.000 1.220 668 L CA -0.368 54.400 54.840 -0.120 0.000 0.833 668 L CB 0.197 42.135 42.059 -0.202 0.000 1.102 668 L HN 0.733 nan 8.230 nan 0.000 0.490 669 L N 2.072 123.093 121.223 -0.337 0.000 1.991 669 L HA -0.232 4.108 4.340 -0.000 0.000 0.221 669 L C 1.776 178.333 176.870 -0.522 0.000 1.079 669 L CA 2.215 56.705 54.840 -0.582 0.000 0.778 669 L CB -0.464 41.058 42.059 -0.896 0.000 0.893 669 L HN 0.580 nan 8.230 nan 0.000 0.437 670 W N -0.482 120.776 121.300 -0.070 0.000 2.937 670 W HA 0.028 4.689 4.660 0.001 0.000 0.245 670 W C 2.130 178.636 176.519 -0.022 0.000 1.306 670 W CA 0.180 57.501 57.345 -0.040 0.000 1.470 670 W CB -0.183 29.263 29.460 -0.024 0.000 1.132 670 W HN 0.242 nan 8.180 nan 0.000 0.675 671 E N 0.335 120.608 120.200 0.122 0.000 2.427 671 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 671 E C 0.864 177.511 176.600 0.079 0.000 1.028 671 E CA 0.292 56.751 56.400 0.099 0.000 0.864 671 E CB -0.085 29.663 29.700 0.080 0.000 0.813 671 E HN 0.240 nan 8.360 nan 0.000 0.514 672 M N 1.629 121.257 119.600 0.047 0.000 2.227 672 M HA 0.044 4.524 4.480 -0.000 0.000 0.349 672 M C -1.779 174.561 176.300 0.067 0.000 1.443 672 M CA -1.332 53.995 55.300 0.045 0.000 1.110 672 M CB 0.369 32.962 32.600 -0.013 0.000 1.773 672 M HN -0.200 nan 8.290 nan 0.000 0.463 673 P HA -0.067 nan 4.420 nan 0.000 0.218 673 P C 0.499 177.837 177.300 0.062 0.000 1.148 673 P CA 0.804 63.936 63.100 0.053 0.000 0.822 673 P CB 0.326 32.055 31.700 0.047 0.000 0.784 674 G N -2.388 106.457 108.800 0.074 0.000 2.561 674 G HA2 0.107 4.067 3.960 -0.000 0.000 0.310 674 G HA3 0.107 4.067 3.960 -0.000 0.000 0.310 674 G C -0.194 174.742 174.900 0.060 0.000 1.292 674 G CA -0.377 44.776 45.100 0.088 0.000 0.811 674 G HN -0.210 nan 8.290 nan 0.000 0.482 675 N N 0.251 118.993 118.700 0.070 0.000 2.392 675 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 675 N C 1.162 176.780 175.510 0.180 0.000 1.066 675 N CA 0.554 53.655 53.050 0.085 0.000 0.895 675 N CB 0.369 38.890 38.487 0.056 0.000 0.988 675 N HN 0.515 nan 8.380 nan 0.000 0.457 676 D N 1.222 121.721 120.400 0.164 0.000 2.127 676 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 676 D C 1.933 178.307 176.300 0.123 0.000 1.000 676 D CA 1.529 55.623 54.000 0.158 0.000 0.839 676 D CB -0.403 40.484 40.800 0.145 0.000 0.955 676 D HN 0.267 nan 8.370 nan 0.000 0.446 677 G N 0.170 109.048 108.800 0.130 0.000 2.446 677 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 677 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 677 G C 1.563 176.560 174.900 0.161 0.000 1.168 677 G CA 0.991 46.162 45.100 0.118 0.000 0.771 677 G HN 0.341 nan 8.290 nan 0.000 0.551 678 Y N 1.049 121.423 120.300 0.124 0.000 2.145 678 Y HA -0.010 4.540 4.550 0.000 0.000 0.286 678 Y C 2.529 178.481 175.900 0.086 0.000 1.145 678 Y CA 1.441 59.644 58.100 0.172 0.000 1.148 678 Y CB -0.226 38.315 38.460 0.135 0.000 0.981 678 Y HN 0.104 nan 8.280 nan 0.000 0.507 679 L N 0.127 121.427 121.223 0.128 0.000 2.275 679 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 679 L C 2.417 179.219 176.870 -0.114 0.000 1.119 679 L CA 1.188 56.041 54.840 0.022 0.000 0.790 679 L CB -0.492 41.676 42.059 0.181 0.000 0.919 679 L HN 0.371 nan 8.230 nan 0.000 0.443 680 Q N -0.245 119.444 119.800 -0.184 0.000 2.123 680 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 680 Q C 2.363 178.193 176.000 -0.283 0.000 0.966 680 Q CA 1.063 56.626 55.803 -0.402 0.000 0.845 680 Q CB 0.035 28.518 28.738 -0.425 0.000 0.907 680 Q HN 0.539 nan 8.270 nan 0.000 0.439 681 L N -0.168 120.935 121.223 -0.201 0.000 2.093 681 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 681 L C 2.342 179.023 176.870 -0.315 0.000 1.085 681 L CA 0.608 55.335 54.840 -0.189 0.000 0.755 681 L CB -0.438 41.572 42.059 -0.083 0.000 0.904 681 L HN 0.071 nan 8.230 nan 0.000 0.435 682 V N 0.439 120.124 119.914 -0.381 0.000 2.332 682 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 682 V C 2.636 178.578 176.094 -0.255 0.000 1.055 682 V CA 2.116 64.191 62.300 -0.375 0.000 1.038 682 V CB -1.223 30.380 31.823 -0.366 0.000 0.651 682 V HN 0.575 nan 8.190 nan 0.000 0.450 683 G N -0.315 108.374 108.800 -0.186 0.000 2.418 683 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 683 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 683 G C 1.564 176.374 174.900 -0.149 0.000 1.158 683 G CA 0.982 46.011 45.100 -0.119 0.000 0.771 683 G HN 0.504 nan 8.290 nan 0.000 0.545 684 I N 0.301 120.768 120.570 -0.173 0.000 2.315 684 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 684 I C 2.895 178.937 176.117 -0.124 0.000 1.117 684 I CA 0.886 62.120 61.300 -0.111 0.000 1.404 684 I CB -0.175 37.799 38.000 -0.043 0.000 1.071 684 I HN 0.173 nan 8.210 nan 0.000 0.419 685 M N -0.224 119.187 119.600 -0.316 0.000 2.117 685 M HA -0.245 4.234 4.480 -0.000 0.000 0.262 685 M C 2.334 178.506 176.300 -0.214 0.000 1.065 685 M CA 1.690 56.671 55.300 -0.531 0.000 1.114 685 M CB -0.358 31.668 32.600 -0.956 0.000 1.361 685 M HN 0.112 nan 8.290 nan 0.000 0.408 686 Q N 0.958 120.657 119.800 -0.168 0.000 2.364 686 Q HA -0.132 4.208 4.340 -0.000 0.000 0.207 686 Q C 1.699 177.719 176.000 0.033 0.000 0.970 686 Q CA 1.397 57.169 55.803 -0.052 0.000 0.888 686 Q CB -0.223 28.491 28.738 -0.041 0.000 0.951 686 Q HN 0.386 nan 8.270 nan 0.000 0.469 687 K N -0.937 119.378 120.400 -0.142 0.000 2.074 687 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 687 K C 0.826 177.208 176.600 -0.364 0.000 1.048 687 K CA 1.739 57.786 56.287 -0.400 0.000 0.926 687 K CB -0.127 31.820 32.500 -0.921 0.000 0.713 687 K HN 0.301 nan 8.250 nan 0.000 0.444 688 F N 0.396 120.357 119.950 0.018 0.000 2.678 688 F HA 0.235 4.762 4.527 -0.000 0.000 0.291 688 F C 0.619 176.487 175.800 0.114 0.000 1.123 688 F CA -0.603 57.439 58.000 0.071 0.000 1.395 688 F CB 0.259 39.325 39.000 0.110 0.000 1.121 688 F HN -0.143 nan 8.300 nan 0.000 0.592 689 I N 1.653 122.357 120.570 0.223 0.000 2.556 689 I HA -0.045 4.125 4.170 -0.000 0.000 0.284 689 I C 1.040 177.188 176.117 0.052 0.000 1.114 689 I CA 0.111 61.503 61.300 0.154 0.000 1.418 689 I CB 0.370 38.424 38.000 0.090 0.000 1.394 689 I HN 0.130 nan 8.210 nan 0.000 0.552 690 D N 4.066 124.514 120.400 0.080 0.000 2.117 690 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 690 D C 1.409 177.710 176.300 0.002 0.000 0.982 690 D CA 1.499 55.519 54.000 0.034 0.000 0.828 690 D CB 0.529 41.393 40.800 0.107 0.000 0.967 690 D HN 0.611 nan 8.370 nan 0.000 0.464 691 Q N -0.422 119.402 119.800 0.040 0.000 3.074 691 Q HA 0.335 4.675 4.340 -0.000 0.000 0.231 691 Q C 0.480 176.493 176.000 0.021 0.000 1.167 691 Q CA -0.301 55.529 55.803 0.045 0.000 0.313 691 Q CB 0.565 29.340 28.738 0.062 0.000 5.795 691 Q HN -0.064 nan 8.270 nan 0.000 0.323 692 S N -1.230 114.483 115.700 0.021 0.000 2.903 692 S HA 0.673 5.143 4.470 -0.000 0.000 0.314 692 S C -1.697 172.902 174.600 -0.002 0.000 1.177 692 S CA -0.712 57.494 58.200 0.011 0.000 0.859 692 S CB 0.958 64.169 63.200 0.018 0.000 1.265 692 S HN 0.328 nan 8.310 nan 0.000 0.584 693 I N 1.382 121.944 120.570 -0.014 0.000 2.619 693 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 693 I C -0.444 175.657 176.117 -0.026 0.000 1.100 693 I CA -0.505 60.777 61.300 -0.031 0.000 1.043 693 I CB 2.417 40.371 38.000 -0.076 0.000 1.239 693 I HN 0.426 nan 8.210 nan 0.000 0.420 694 S N 4.913 120.592 115.700 -0.034 0.000 4.120 694 S HA 0.330 4.800 4.470 -0.000 0.000 0.215 694 S C 0.403 175.000 174.600 -0.005 0.000 1.347 694 S CA -0.522 57.638 58.200 -0.067 0.000 0.889 694 S CB -0.398 62.739 63.200 -0.104 0.000 1.585 694 S HN 0.613 nan 8.310 nan 0.000 0.447 695 A N 3.210 126.056 122.820 0.042 0.000 2.366 695 A HA 0.349 4.669 4.320 -0.000 0.000 0.272 695 A C 0.434 178.135 177.584 0.194 0.000 1.135 695 A CA -0.592 51.551 52.037 0.176 0.000 0.804 695 A CB 0.272 19.364 19.000 0.153 0.000 1.064 695 A HN 0.677 nan 8.150 nan 0.000 0.499 696 N N 0.372 119.214 118.700 0.237 0.000 2.492 696 N HA 0.530 5.270 4.740 -0.000 0.000 0.289 696 N C -0.320 175.224 175.510 0.056 0.000 1.133 696 N CA -0.185 52.931 53.050 0.110 0.000 0.961 696 N CB 1.559 40.052 38.487 0.009 0.000 1.186 696 N HN 0.762 nan 8.380 nan 0.000 0.493 697 T N -1.076 113.534 114.554 0.093 0.000 2.856 697 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 697 T C -0.745 173.916 174.700 -0.064 0.000 1.008 697 T CA -0.997 61.115 62.100 0.021 0.000 0.997 697 T CB 1.387 70.386 68.868 0.218 0.000 0.992 697 T HN 0.369 nan 8.240 nan 0.000 0.454 698 N N 1.419 119.910 118.700 -0.349 0.000 2.225 698 N HA 0.442 5.182 4.740 -0.000 0.000 0.298 698 N C -1.852 173.399 175.510 -0.432 0.000 1.076 698 N CA -0.541 52.381 53.050 -0.213 0.000 0.792 698 N CB 2.447 40.738 38.487 -0.327 0.000 1.498 698 N HN 0.660 nan 8.380 nan 0.000 0.474 699 Y N -0.380 120.189 120.300 0.449 0.000 2.401 699 Y HA 0.177 4.727 4.550 -0.000 0.000 0.330 699 Y C -0.753 175.320 175.900 0.289 0.000 1.071 699 Y CA -0.971 57.359 58.100 0.382 0.000 1.049 699 Y CB 1.833 40.411 38.460 0.197 0.000 1.239 699 Y HN 0.377 nan 8.280 nan 0.000 0.437 700 D N 4.951 125.595 120.400 0.407 0.000 2.427 700 D HA 0.348 4.988 4.640 -0.000 0.000 0.226 700 D C -2.126 174.327 176.300 0.255 0.000 1.076 700 D CA -2.587 51.449 54.000 0.059 0.000 0.849 700 D CB 1.989 42.778 40.800 -0.017 0.000 1.052 700 D HN 0.174 nan 8.370 nan 0.000 0.515 701 P HA -0.188 nan 4.420 nan 0.000 0.216 701 P C 1.348 178.785 177.300 0.228 0.000 1.154 701 P CA 1.377 64.609 63.100 0.219 0.000 0.865 701 P CB 0.128 31.866 31.700 0.063 0.000 0.789 702 S N -0.949 114.802 115.700 0.085 0.000 2.500 702 S HA -0.118 4.352 4.470 -0.000 0.000 0.239 702 S C 1.763 176.377 174.600 0.023 0.000 0.989 702 S CA 0.704 58.929 58.200 0.042 0.000 0.951 702 S CB -0.853 62.339 63.200 -0.013 0.000 0.759 702 S HN 0.133 nan 8.310 nan 0.000 0.523 703 R N -0.270 120.234 120.500 0.006 0.000 2.313 703 R HA 0.303 4.642 4.340 -0.000 0.000 0.199 703 R C -0.839 175.189 176.300 -0.455 0.000 0.958 703 R CA 0.210 56.176 56.100 -0.223 0.000 1.047 703 R CB 0.001 30.107 30.300 -0.324 0.000 0.955 703 R HN 0.433 nan 8.270 nan 0.000 0.481 704 F N 0.547 120.523 119.950 0.044 0.000 2.563 704 F HA 0.357 4.885 4.527 0.000 0.000 0.316 704 F C -1.924 173.892 175.800 0.028 0.000 1.076 704 F CA -3.160 54.866 58.000 0.043 0.000 0.921 704 F CB 1.361 40.390 39.000 0.048 0.000 1.209 704 F HN -0.198 nan 8.300 nan 0.000 0.462 705 P HA 0.001 nan 4.420 nan 0.000 0.261 705 P C -0.027 177.339 177.300 0.110 0.000 1.183 705 P CA 0.561 63.734 63.100 0.122 0.000 0.761 705 P CB 0.831 32.594 31.700 0.105 0.000 0.785 706 S N 1.851 117.596 115.700 0.074 0.000 3.561 706 S HA -0.163 4.307 4.470 -0.000 0.000 0.318 706 S C 1.157 175.791 174.600 0.057 0.000 1.181 706 S CA 1.015 59.247 58.200 0.053 0.000 0.916 706 S CB -2.196 61.028 63.200 0.040 0.000 0.966 706 S HN 1.115 nan 8.310 nan 0.000 0.550 707 G N 1.129 109.980 108.800 0.085 0.000 2.361 707 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.294 707 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.294 707 G C -0.221 174.719 174.900 0.066 0.000 1.004 707 G CA 1.129 46.282 45.100 0.088 0.000 0.870 707 G HN 1.116 nan 8.290 nan 0.000 0.510 708 K N -1.036 119.401 120.400 0.062 0.000 2.397 708 K HA 0.684 5.004 4.320 -0.000 0.000 0.253 708 K C -0.234 176.269 176.600 -0.161 0.000 0.932 708 K CA -1.273 54.995 56.287 -0.031 0.000 0.795 708 K CB 2.766 35.247 32.500 -0.033 0.000 1.159 708 K HN 0.027 nan 8.250 nan 0.000 0.424 709 V N 3.874 123.585 119.914 -0.339 0.000 2.485 709 V HA 0.117 4.237 4.120 -0.000 0.000 0.287 709 V C -1.680 174.130 176.094 -0.473 0.000 1.022 709 V CA -1.072 60.795 62.300 -0.722 0.000 1.067 709 V CB -0.203 31.237 31.823 -0.638 0.000 0.967 709 V HN 0.808 nan 8.190 nan 0.000 0.479 710 P HA 0.231 nan 4.420 nan 0.000 0.280 710 P C 0.519 177.710 177.300 -0.182 0.000 1.244 710 P CA -0.670 62.307 63.100 -0.204 0.000 0.784 710 P CB 1.076 32.728 31.700 -0.080 0.000 0.913 711 M N 2.736 122.269 119.600 -0.111 0.000 2.144 711 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 711 M C 2.041 178.321 176.300 -0.034 0.000 1.067 711 M CA 1.970 57.227 55.300 -0.072 0.000 1.095 711 M CB -1.167 31.414 32.600 -0.031 0.000 1.365 711 M HN 0.381 nan 8.290 nan 0.000 0.406 712 Q N -0.047 119.745 119.800 -0.014 0.000 2.096 712 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 712 Q C 2.131 178.154 176.000 0.039 0.000 0.993 712 Q CA 2.688 58.502 55.803 0.019 0.000 0.862 712 Q CB -0.524 28.234 28.738 0.033 0.000 0.915 712 Q HN 0.689 nan 8.270 nan 0.000 0.416 713 Q N -0.617 119.202 119.800 0.032 0.000 2.123 713 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 713 Q C 1.910 177.960 176.000 0.083 0.000 0.966 713 Q CA 1.285 57.146 55.803 0.098 0.000 0.845 713 Q CB -0.198 28.628 28.738 0.146 0.000 0.907 713 Q HN 0.557 nan 8.270 nan 0.000 0.439 714 L N -0.437 120.753 121.223 -0.056 0.000 2.083 714 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 714 L C 2.057 178.982 176.870 0.093 0.000 1.083 714 L CA 0.940 55.750 54.840 -0.049 0.000 0.752 714 L CB -0.340 41.633 42.059 -0.144 0.000 0.899 714 L HN 0.275 nan 8.230 nan 0.000 0.433 715 L N -0.715 120.556 121.223 0.081 0.000 2.270 715 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 715 L C 2.585 179.517 176.870 0.103 0.000 1.104 715 L CA 0.635 55.536 54.840 0.103 0.000 0.804 715 L CB -0.313 41.778 42.059 0.054 0.000 0.937 715 L HN 0.181 nan 8.230 nan 0.000 0.450 716 K N 0.321 120.784 120.400 0.106 0.000 2.057 716 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 716 K C 1.528 178.218 176.600 0.151 0.000 1.050 716 K CA 1.528 57.881 56.287 0.111 0.000 0.935 716 K CB 0.084 32.654 32.500 0.116 0.000 0.715 716 K HN 0.204 nan 8.250 nan 0.000 0.439 717 D N 1.058 121.583 120.400 0.207 0.000 2.144 717 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 717 D C 1.896 178.335 176.300 0.232 0.000 0.984 717 D CA 0.733 54.882 54.000 0.248 0.000 0.834 717 D CB -0.164 40.840 40.800 0.340 0.000 0.955 717 D HN 0.146 nan 8.370 nan 0.000 0.465 718 L N 0.706 122.067 121.223 0.230 0.000 2.012 718 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 718 L C 2.235 179.200 176.870 0.159 0.000 1.073 718 L CA 1.450 56.438 54.840 0.247 0.000 0.748 718 L CB -0.502 41.743 42.059 0.309 0.000 0.891 718 L HN 0.004 nan 8.230 nan 0.000 0.431 719 L N -1.600 119.675 121.223 0.087 0.000 2.056 719 L HA -0.177 4.162 4.340 -0.000 0.000 0.207 719 L C 2.340 179.222 176.870 0.020 0.000 1.078 719 L CA 1.527 56.351 54.840 -0.026 0.000 0.749 719 L CB -1.183 40.850 42.059 -0.043 0.000 0.901 719 L HN 0.251 nan 8.230 nan 0.000 0.433 720 T N 0.247 114.852 114.554 0.084 0.000 2.665 720 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 720 T C 2.080 176.894 174.700 0.191 0.000 1.035 720 T CA 1.489 63.667 62.100 0.130 0.000 1.151 720 T CB -0.351 68.659 68.868 0.236 0.000 0.862 720 T HN 0.462 nan 8.240 nan 0.000 0.438 721 A N 0.806 123.751 122.820 0.208 0.000 1.869 721 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 721 A C 2.101 179.780 177.584 0.159 0.000 1.203 721 A CA 2.162 54.324 52.037 0.209 0.000 0.638 721 A CB -1.332 17.802 19.000 0.223 0.000 0.831 721 A HN 0.602 nan 8.150 nan 0.000 0.450 722 Y N 0.484 120.780 120.300 -0.006 0.000 2.128 722 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 722 Y C 2.463 178.361 175.900 -0.004 0.000 1.154 722 Y CA 2.512 60.589 58.100 -0.039 0.000 1.149 722 Y CB -0.198 37.990 38.460 -0.454 0.000 0.976 722 Y HN 0.338 nan 8.280 nan 0.000 0.505 723 K N -0.695 119.660 120.400 -0.074 0.000 2.097 723 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 723 K C 1.088 177.425 176.600 -0.438 0.000 1.049 723 K CA 1.510 57.625 56.287 -0.286 0.000 0.933 723 K CB -0.393 31.857 32.500 -0.418 0.000 0.717 723 K HN 0.323 nan 8.250 nan 0.000 0.442 724 F N 0.288 120.178 119.950 -0.101 0.000 2.731 724 F HA 0.228 4.754 4.527 -0.000 0.000 0.304 724 F C 1.326 176.988 175.800 -0.230 0.000 1.133 724 F CA 0.543 58.464 58.000 -0.131 0.000 1.380 724 F CB 0.398 39.356 39.000 -0.070 0.000 1.079 724 F HN 0.286 nan 8.300 nan 0.000 0.550 725 G N 0.173 108.804 108.800 -0.282 0.000 2.143 725 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 725 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 725 G C 0.173 174.889 174.900 -0.307 0.000 0.991 725 G CA 0.087 44.806 45.100 -0.634 0.000 0.689 725 G HN 0.136 nan 8.290 nan 0.000 0.522 726 V N 0.732 120.612 119.914 -0.057 0.000 2.540 726 V HA 0.076 4.196 4.120 -0.000 0.000 0.297 726 V C 1.771 177.951 176.094 0.143 0.000 1.024 726 V CA 1.331 63.660 62.300 0.050 0.000 1.105 726 V CB 1.095 32.978 31.823 0.101 0.000 0.938 726 V HN 0.480 nan 8.190 nan 0.000 0.482 727 K N 2.460 122.931 120.400 0.119 0.000 2.116 727 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 727 K C 0.686 177.383 176.600 0.162 0.000 1.052 727 K CA 1.200 57.583 56.287 0.159 0.000 0.952 727 K CB 0.115 32.680 32.500 0.108 0.000 0.729 727 K HN 0.887 nan 8.250 nan 0.000 0.446 728 T N -1.684 112.952 114.554 0.137 0.000 2.868 728 T HA 0.613 4.963 4.350 -0.000 0.000 0.306 728 T C -0.583 174.202 174.700 0.142 0.000 1.224 728 T CA -1.029 61.158 62.100 0.145 0.000 1.012 728 T CB 1.679 70.608 68.868 0.101 0.000 1.221 728 T HN -0.111 nan 8.240 nan 0.000 0.499 732 Q N 3.511 123.559 119.800 0.413 0.000 2.340 732 Q HA 0.449 4.789 4.340 -0.000 0.000 0.259 732 Q C -1.129 175.032 176.000 0.269 0.000 0.964 732 Q CA -0.592 55.404 55.803 0.322 0.000 0.900 732 Q CB 0.726 29.655 28.738 0.318 0.000 1.228 732 Q HN 0.628 nan 8.270 nan 0.000 0.449 733 N N 2.742 121.593 118.700 0.251 0.000 2.479 733 N HA 0.281 5.021 4.740 -0.000 0.000 0.285 733 N C -1.075 174.660 175.510 0.375 0.000 1.075 733 N CA -0.058 53.146 53.050 0.257 0.000 0.967 733 N CB 1.763 40.385 38.487 0.225 0.000 1.137 733 N HN 0.454 nan 8.380 nan 0.000 0.472 734 T N 1.233 115.964 114.554 0.295 0.000 2.809 734 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 734 T C 0.390 175.132 174.700 0.069 0.000 0.992 734 T CA -0.659 61.572 62.100 0.219 0.000 0.957 734 T CB 1.696 70.640 68.868 0.128 0.000 0.942 734 T HN 0.307 nan 8.240 nan 0.000 0.439 735 R N 2.544 122.887 120.500 -0.262 0.000 2.537 735 R HA 0.227 4.567 4.340 -0.000 0.000 0.280 735 R C -0.751 175.378 176.300 -0.285 0.000 1.058 735 R CA -0.123 55.627 56.100 -0.584 0.000 1.057 735 R CB 0.261 29.656 30.300 -1.508 0.000 0.973 735 R HN 0.673 nan 8.270 nan 0.000 0.438 736 D N 2.553 122.839 120.400 -0.190 0.000 2.248 736 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 736 D C 0.227 176.454 176.300 -0.122 0.000 1.027 736 D CA -0.154 53.773 54.000 -0.121 0.000 0.853 736 D CB 1.763 42.528 40.800 -0.058 0.000 1.243 736 D HN 0.794 nan 8.370 nan 0.000 0.462 737 G N 0.000 108.744 108.800 -0.094 0.000 5.446 737 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 737 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 737 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925