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 2xaz_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 RQSNLSLEIA 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 0.000 175.515 175.510 0.009 0.000 1.280 4 N CA 0.000 53.056 53.050 0.010 0.000 0.885 4 N CB 0.000 38.492 38.487 0.008 0.000 1.341 5 L N 1.318 122.545 121.223 0.006 0.000 1.807 5 L HA -0.064 4.275 4.340 -0.000 0.000 0.541 5 L C -1.900 174.949 176.870 -0.036 0.000 1.001 5 L CA -0.074 54.763 54.840 -0.006 0.000 1.192 5 L CB -0.327 41.733 42.059 0.001 0.000 1.929 5 L HN 0.260 nan 8.230 nan 0.000 1.031 6 L N 4.593 125.787 121.223 -0.049 0.000 2.341 6 L HA 0.903 5.242 4.340 -0.000 0.000 0.267 6 L C -0.540 176.263 176.870 -0.112 0.000 1.009 6 L CA -1.061 53.740 54.840 -0.064 0.000 0.819 6 L CB 2.147 44.185 42.059 -0.034 0.000 1.323 6 L HN 0.199 nan 8.230 nan 0.000 0.425 7 V N -0.033 119.811 119.914 -0.118 0.000 2.588 7 V HA 0.327 4.447 4.120 -0.000 0.000 0.304 7 V C -0.125 175.900 176.094 -0.114 0.000 1.042 7 V CA -0.539 61.664 62.300 -0.162 0.000 0.877 7 V CB 1.952 33.663 31.823 -0.188 0.000 0.996 7 V HN 0.748 nan 8.190 nan 0.000 0.425 8 T N 5.547 120.032 114.554 -0.115 0.000 2.738 8 T HA 0.199 4.548 4.350 -0.000 0.000 0.294 8 T C 0.342 174.995 174.700 -0.077 0.000 0.914 8 T CA -0.103 61.953 62.100 -0.074 0.000 1.052 8 T CB 0.115 68.952 68.868 -0.051 0.000 0.897 8 T HN 0.425 nan 8.240 nan 0.000 0.522 9 K N 2.278 122.643 120.400 -0.057 0.000 2.132 9 K HA 0.204 4.524 4.320 -0.000 0.000 0.240 9 K C 1.593 178.174 176.600 -0.032 0.000 1.036 9 K CA -0.560 55.699 56.287 -0.047 0.000 0.888 9 K CB 0.441 32.923 32.500 -0.031 0.000 1.071 9 K HN 0.350 nan 8.250 nan 0.000 0.502 10 R N 1.248 121.736 120.500 -0.020 0.000 2.185 10 R HA -0.206 4.133 4.340 -0.000 0.000 0.247 10 R C 1.261 177.557 176.300 -0.006 0.000 1.159 10 R CA 2.200 58.294 56.100 -0.009 0.000 0.988 10 R CB -0.462 29.840 30.300 0.002 0.000 0.871 10 R HN 0.690 nan 8.270 nan 0.000 0.458 11 D N -3.282 117.114 120.400 -0.007 0.000 2.725 11 D HA 0.115 4.754 4.640 -0.000 0.000 0.269 11 D C 1.363 177.660 176.300 -0.005 0.000 1.018 11 D CA 0.804 54.801 54.000 -0.004 0.000 0.956 11 D CB -0.152 40.647 40.800 -0.002 0.000 1.141 11 D HN 0.174 nan 8.370 nan 0.000 0.478 12 G N -0.390 108.406 108.800 -0.007 0.000 4.276 12 G HA2 0.029 3.989 3.960 -0.000 0.000 0.178 12 G HA3 0.029 3.989 3.960 -0.000 0.000 0.178 12 G C 0.138 175.032 174.900 -0.009 0.000 0.785 12 G CA 0.159 45.255 45.100 -0.007 0.000 0.853 12 G HN 0.450 nan 8.290 nan 0.000 0.428 13 S N 0.967 116.660 115.700 -0.011 0.000 2.573 13 S HA 0.528 4.997 4.470 -0.000 0.000 0.277 13 S C 0.268 174.856 174.600 -0.020 0.000 1.346 13 S CA 0.708 58.901 58.200 -0.012 0.000 1.034 13 S CB 1.422 64.615 63.200 -0.011 0.000 0.879 13 S HN 1.205 nan 8.310 nan 0.000 0.528 14 T N -1.137 113.405 114.554 -0.019 0.000 2.876 14 T HA 0.698 5.048 4.350 -0.000 0.000 0.289 14 T C -0.984 173.700 174.700 -0.027 0.000 1.014 14 T CA -0.775 61.308 62.100 -0.028 0.000 0.986 14 T CB 1.775 70.629 68.868 -0.023 0.000 1.021 14 T HN 0.775 nan 8.240 nan 0.000 0.458 15 E N 1.001 121.179 120.200 -0.037 0.000 2.433 15 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 15 E C -0.775 175.800 176.600 -0.041 0.000 0.976 15 E CA -0.981 55.400 56.400 -0.032 0.000 0.793 15 E CB 2.322 32.006 29.700 -0.027 0.000 1.311 15 E HN 0.675 nan 8.360 nan 0.000 0.460 16 R N 1.086 121.568 120.500 -0.030 0.000 2.643 16 R HA 0.184 4.524 4.340 -0.000 0.000 0.270 16 R C 0.563 176.837 176.300 -0.043 0.000 1.061 16 R CA -0.310 55.771 56.100 -0.032 0.000 1.107 16 R CB 0.337 30.626 30.300 -0.018 0.000 0.999 16 R HN 0.373 nan 8.270 nan 0.000 0.460 17 I N 2.653 123.190 120.570 -0.054 0.000 2.683 17 I HA -0.118 4.052 4.170 -0.000 0.000 0.286 17 I C -0.087 176.005 176.117 -0.042 0.000 1.175 17 I CA 0.424 61.679 61.300 -0.075 0.000 1.429 17 I CB 0.277 38.223 38.000 -0.089 0.000 1.371 17 I HN 0.595 nan 8.210 nan 0.000 0.569 18 N N 7.715 126.390 118.700 -0.041 0.000 2.817 18 N HA 0.213 4.953 4.740 -0.000 0.000 0.234 18 N C 0.777 176.299 175.510 0.019 0.000 1.066 18 N CA -0.298 52.749 53.050 -0.004 0.000 0.926 18 N CB 0.411 38.901 38.487 0.006 0.000 1.176 18 N HN 0.573 nan 8.380 nan 0.000 0.506 19 L N 0.725 121.969 121.223 0.036 0.000 2.141 19 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 19 L C 1.076 178.024 176.870 0.130 0.000 1.094 19 L CA 0.874 55.769 54.840 0.092 0.000 0.763 19 L CB -0.030 42.092 42.059 0.105 0.000 0.908 19 L HN 0.337 nan 8.230 nan 0.000 0.437 20 D N -0.047 120.405 120.400 0.087 0.000 2.144 20 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 20 D C 2.188 178.563 176.300 0.124 0.000 0.984 20 D CA 0.928 54.987 54.000 0.099 0.000 0.834 20 D CB -0.050 40.782 40.800 0.055 0.000 0.955 20 D HN 0.065 nan 8.370 nan 0.000 0.465 21 K N 0.486 120.937 120.400 0.085 0.000 2.057 21 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 21 K C 2.225 178.860 176.600 0.059 0.000 1.050 21 K CA 0.397 56.722 56.287 0.063 0.000 0.935 21 K CB -0.273 32.259 32.500 0.054 0.000 0.715 21 K HN 0.199 nan 8.250 nan 0.000 0.439 22 I N -0.097 120.533 120.570 0.100 0.000 2.179 22 I HA -0.308 3.861 4.170 -0.000 0.000 0.242 22 I C 2.474 178.662 176.117 0.119 0.000 1.088 22 I CA 1.487 62.859 61.300 0.121 0.000 1.357 22 I CB -0.404 37.722 38.000 0.210 0.000 1.051 22 I HN 0.273 nan 8.210 nan 0.000 0.409 23 H N 1.188 120.310 119.070 0.085 0.000 2.319 23 H HA -0.163 4.392 4.556 -0.000 0.000 0.297 23 H C 2.403 177.751 175.328 0.033 0.000 1.097 23 H CA 1.914 58.000 56.048 0.064 0.000 1.285 23 H CB 0.029 29.829 29.762 0.062 0.000 1.368 23 H HN 0.099 nan 8.280 nan 0.000 0.495 24 R N -0.606 119.915 120.500 0.035 0.000 2.092 24 R HA -0.075 4.264 4.340 -0.000 0.000 0.231 24 R C 2.430 178.691 176.300 -0.064 0.000 1.119 24 R CA 1.224 57.312 56.100 -0.020 0.000 0.970 24 R CB -0.109 30.207 30.300 0.026 0.000 0.864 24 R HN 0.215 nan 8.270 nan 0.000 0.440 25 V N 1.387 121.225 119.914 -0.125 0.000 2.343 25 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 25 V C 2.263 178.355 176.094 -0.004 0.000 1.051 25 V CA 1.631 63.810 62.300 -0.201 0.000 1.036 25 V CB -0.426 31.075 31.823 -0.536 0.000 0.654 25 V HN 0.283 nan 8.190 nan 0.000 0.451 26 L N -0.040 121.138 121.223 -0.075 0.000 2.017 26 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 26 L C 2.429 179.224 176.870 -0.125 0.000 1.073 26 L CA 2.119 56.906 54.840 -0.087 0.000 0.745 26 L CB -0.668 41.325 42.059 -0.108 0.000 0.894 26 L HN 0.377 nan 8.230 nan 0.000 0.432 27 D N -0.728 119.552 120.400 -0.200 0.000 2.116 27 D HA -0.290 4.350 4.640 -0.000 0.000 0.193 27 D C 1.885 178.160 176.300 -0.042 0.000 0.998 27 D CA 1.426 55.335 54.000 -0.152 0.000 0.836 27 D CB -0.178 40.520 40.800 -0.169 0.000 0.951 27 D HN 0.360 nan 8.370 nan 0.000 0.449 28 W N 1.405 122.607 121.300 -0.163 0.000 2.333 28 W HA -0.194 4.465 4.660 -0.001 0.000 0.316 28 W C 2.237 178.694 176.519 -0.103 0.000 1.215 28 W CA 2.669 59.934 57.345 -0.133 0.000 1.278 28 W CB -0.828 28.526 29.460 -0.177 0.000 1.154 28 W HN 0.019 nan 8.180 nan 0.000 0.486 29 A N 0.708 123.271 122.820 -0.427 0.000 1.978 29 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 29 A C 2.068 179.396 177.584 -0.426 0.000 1.170 29 A CA 2.390 54.025 52.037 -0.671 0.000 0.636 29 A CB -1.445 17.386 19.000 -0.282 0.000 0.810 29 A HN 0.565 nan 8.150 nan 0.000 0.448 30 A N -0.707 121.946 122.820 -0.278 0.000 2.169 30 A HA 0.240 4.560 4.320 -0.000 0.000 0.212 30 A C 0.870 178.318 177.584 -0.226 0.000 1.153 30 A CA 0.513 52.417 52.037 -0.222 0.000 0.756 30 A CB -0.254 18.645 19.000 -0.169 0.000 0.813 30 A HN 0.464 nan 8.150 nan 0.000 0.471 31 E N -0.185 119.869 120.200 -0.243 0.000 2.652 31 E HA 0.271 4.621 4.350 -0.000 0.000 0.255 31 E C 1.332 177.803 176.600 -0.215 0.000 0.952 31 E CA 1.289 57.571 56.400 -0.197 0.000 0.947 31 E CB -0.294 29.296 29.700 -0.184 0.000 0.912 31 E HN 0.787 nan 8.360 nan 0.000 0.489 32 G N 3.369 112.048 108.800 -0.201 0.000 2.234 32 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 32 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 32 G C 0.223 174.862 174.900 -0.435 0.000 0.987 32 G CA 0.400 45.349 45.100 -0.251 0.000 0.625 32 G HN 0.457 nan 8.290 nan 0.000 0.532 33 L N -0.168 120.814 121.223 -0.403 0.000 2.439 33 L HA 0.727 5.067 4.340 -0.000 0.000 0.259 33 L C 0.660 177.187 176.870 -0.572 0.000 1.129 33 L CA -0.997 53.582 54.840 -0.435 0.000 0.803 33 L CB 0.866 42.768 42.059 -0.260 0.000 1.161 33 L HN 0.261 nan 8.230 nan 0.000 0.462 34 H N -0.202 118.816 119.070 -0.087 0.000 2.690 34 H HA 0.261 4.817 4.556 -0.001 0.000 0.368 34 H C -0.113 175.146 175.328 -0.114 0.000 1.150 34 H CA -0.747 55.253 56.048 -0.080 0.000 1.174 34 H CB 1.269 31.008 29.762 -0.039 0.000 1.684 34 H HN 0.606 nan 8.280 nan 0.000 0.538 35 N N 0.081 118.808 118.700 0.044 0.000 2.741 35 N HA -0.179 4.561 4.740 -0.000 0.000 0.250 35 N C -1.121 174.310 175.510 -0.132 0.000 1.115 35 N CA 0.987 54.028 53.050 -0.015 0.000 0.724 35 N CB -0.981 37.517 38.487 0.018 0.000 1.090 35 N HN 0.389 nan 8.380 nan 0.000 0.558 36 V N -3.084 116.681 119.914 -0.248 0.000 2.581 36 V HA 0.831 4.950 4.120 -0.000 0.000 0.303 36 V C 0.379 176.383 176.094 -0.150 0.000 1.041 36 V CA -0.420 61.583 62.300 -0.495 0.000 0.907 36 V CB 2.067 33.390 31.823 -0.833 0.000 0.994 36 V HN 0.177 nan 8.190 nan 0.000 0.442 37 S N 3.539 119.265 115.700 0.044 0.000 2.601 37 S HA 0.509 4.979 4.470 -0.000 0.000 0.312 37 S C 0.796 175.449 174.600 0.089 0.000 1.107 37 S CA -0.700 57.549 58.200 0.082 0.000 1.129 37 S CB 0.438 63.708 63.200 0.117 0.000 0.982 37 S HN 0.726 nan 8.310 nan 0.000 0.469 38 I N 3.819 124.405 120.570 0.026 0.000 2.194 38 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 38 I C 2.696 178.824 176.117 0.019 0.000 1.093 38 I CA 1.826 63.131 61.300 0.010 0.000 1.355 38 I CB -0.263 37.716 38.000 -0.035 0.000 1.046 38 I HN 0.774 nan 8.210 nan 0.000 0.413 39 S N -0.201 115.515 115.700 0.027 0.000 2.428 39 S HA -0.179 4.291 4.470 -0.000 0.000 0.230 39 S C 2.027 176.604 174.600 -0.037 0.000 1.014 39 S CA 0.660 58.859 58.200 -0.002 0.000 0.957 39 S CB -0.167 63.039 63.200 0.010 0.000 0.784 39 S HN 0.354 nan 8.310 nan 0.000 0.499 40 Q N 1.017 120.814 119.800 -0.006 0.000 2.124 40 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 40 Q C 2.415 178.379 176.000 -0.060 0.000 0.977 40 Q CA 1.491 57.279 55.803 -0.026 0.000 0.850 40 Q CB -0.866 27.877 28.738 0.010 0.000 0.901 40 Q HN 0.565 nan 8.270 nan 0.000 0.429 41 V N 0.879 120.775 119.914 -0.030 0.000 2.358 41 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 41 V C 2.123 178.157 176.094 -0.100 0.000 1.047 41 V CA 1.743 64.015 62.300 -0.045 0.000 1.035 41 V CB -0.442 31.394 31.823 0.021 0.000 0.658 41 V HN 0.372 nan 8.190 nan 0.000 0.452 42 E N 0.122 120.226 120.200 -0.159 0.000 2.038 42 E HA -0.219 4.130 4.350 -0.000 0.000 0.195 42 E C 2.240 178.536 176.600 -0.506 0.000 1.000 42 E CA 1.508 57.644 56.400 -0.441 0.000 0.803 42 E CB -0.258 29.174 29.700 -0.447 0.000 0.750 42 E HN 0.485 nan 8.360 nan 0.000 0.448 43 L N 0.356 121.410 121.223 -0.281 0.000 1.989 43 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 43 L C 2.576 179.348 176.870 -0.164 0.000 1.071 43 L CA 1.425 56.150 54.840 -0.193 0.000 0.749 43 L CB -0.341 41.648 42.059 -0.117 0.000 0.890 43 L HN 0.023 nan 8.230 nan 0.000 0.431 44 R N -0.385 120.029 120.500 -0.144 0.000 2.189 44 R HA -0.107 4.232 4.340 -0.000 0.000 0.223 44 R C 2.429 178.643 176.300 -0.143 0.000 1.092 44 R CA 1.478 57.504 56.100 -0.124 0.000 0.989 44 R CB -0.174 30.060 30.300 -0.111 0.000 0.876 44 R HN 0.512 nan 8.270 nan 0.000 0.457 45 S N -1.374 114.220 115.700 -0.177 0.000 2.475 45 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 45 S C 1.599 175.772 174.600 -0.710 0.000 1.042 45 S CA 0.006 58.054 58.200 -0.254 0.000 0.935 45 S CB -0.252 62.911 63.200 -0.060 0.000 0.801 45 S HN 0.388 nan 8.310 nan 0.000 0.509 46 H N 0.640 119.230 119.070 -0.800 0.000 2.387 46 H HA 0.069 4.625 4.556 -0.001 0.000 0.299 46 H C 1.996 176.963 175.328 -0.602 0.000 1.090 46 H CA 1.253 56.712 56.048 -0.983 0.000 1.332 46 H CB -0.111 29.445 29.762 -0.343 0.000 1.386 46 H HN 0.303 nan 8.280 nan 0.000 0.516 47 I N 1.569 122.014 120.570 -0.209 0.000 2.530 47 I HA -0.245 3.925 4.170 -0.000 0.000 0.257 47 I C 1.763 177.835 176.117 -0.075 0.000 1.179 47 I CA 1.418 62.658 61.300 -0.100 0.000 1.440 47 I CB -0.155 37.805 38.000 -0.068 0.000 1.087 47 I HN 0.233 nan 8.210 nan 0.000 0.440 48 Q N -0.887 118.821 119.800 -0.154 0.000 2.425 48 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 48 Q C -0.033 176.092 176.000 0.209 0.000 0.933 48 Q CA -0.061 55.746 55.803 0.006 0.000 0.939 48 Q CB 0.180 28.918 28.738 -0.001 0.000 1.044 48 Q HN 0.255 nan 8.270 nan 0.000 0.513 49 F N 0.753 120.740 119.950 0.062 0.000 2.380 49 F HA 0.269 4.796 4.527 -0.001 0.000 0.325 49 F C 0.131 175.969 175.800 0.064 0.000 1.136 49 F CA -1.452 56.525 58.000 -0.038 0.000 1.171 49 F CB 0.127 39.047 39.000 -0.132 0.000 1.230 49 F HN -0.046 nan 8.300 nan 0.000 0.554 50 Y N -2.263 118.149 120.300 0.186 0.000 2.609 50 Y HA 0.456 5.005 4.550 -0.000 0.000 0.336 50 Y C -1.158 174.762 175.900 0.033 0.000 1.129 50 Y CA -2.053 56.099 58.100 0.087 0.000 1.040 50 Y CB 0.292 38.789 38.460 0.062 0.000 1.310 50 Y HN 0.393 nan 8.280 nan 0.000 0.460 51 D N 1.412 121.923 120.400 0.186 0.000 2.531 51 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 51 D C 1.176 177.537 176.300 0.103 0.000 1.144 51 D CA 2.909 56.960 54.000 0.085 0.000 0.869 51 D CB 0.608 41.462 40.800 0.090 0.000 1.160 51 D HN 1.119 nan 8.370 nan 0.000 0.484 52 G N 3.261 112.043 108.800 -0.030 0.000 2.176 52 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 52 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 52 G C 0.707 175.534 174.900 -0.121 0.000 0.979 52 G CA -0.021 45.065 45.100 -0.024 0.000 0.641 52 G HN 0.682 nan 8.290 nan 0.000 0.530 53 I N 2.173 122.479 120.570 -0.440 0.000 2.906 53 I HA 0.197 4.366 4.170 -0.000 0.000 0.301 53 I C 1.271 177.178 176.117 -0.350 0.000 1.221 53 I CA 0.459 61.356 61.300 -0.672 0.000 1.435 53 I CB 0.287 37.649 38.000 -1.063 0.000 1.345 53 I HN 0.430 nan 8.210 nan 0.000 0.558 54 K N 4.871 125.143 120.400 -0.214 0.000 2.168 54 K HA 0.167 4.486 4.320 -0.000 0.000 0.258 54 K C 0.600 177.062 176.600 -0.230 0.000 1.010 54 K CA -0.543 55.646 56.287 -0.164 0.000 0.929 54 K CB 1.026 33.482 32.500 -0.075 0.000 0.998 54 K HN 0.602 nan 8.250 nan 0.000 0.479 55 T N 0.732 115.158 114.554 -0.214 0.000 2.788 55 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 55 T C 1.893 176.331 174.700 -0.437 0.000 1.044 55 T CA 2.062 63.973 62.100 -0.315 0.000 1.139 55 T CB -0.353 68.390 68.868 -0.209 0.000 0.867 55 T HN 0.815 nan 8.240 nan 0.000 0.454 56 S N 1.345 116.925 115.700 -0.199 0.000 2.402 56 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 56 S C 1.639 176.173 174.600 -0.110 0.000 1.021 56 S CA 0.972 59.145 58.200 -0.044 0.000 0.974 56 S CB -0.311 62.960 63.200 0.117 0.000 0.800 56 S HN 0.366 nan 8.310 nan 0.000 0.484 57 D N 1.603 121.926 120.400 -0.128 0.000 2.183 57 D HA 0.146 4.786 4.640 -0.000 0.000 0.203 57 D C 1.884 178.124 176.300 -0.100 0.000 0.969 57 D CA 0.570 54.523 54.000 -0.080 0.000 0.842 57 D CB -0.257 40.517 40.800 -0.044 0.000 0.957 57 D HN 0.414 nan 8.370 nan 0.000 0.484 58 I N 0.579 120.990 120.570 -0.264 0.000 2.208 58 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 58 I C 2.135 178.260 176.117 0.012 0.000 1.097 58 I CA 1.258 62.391 61.300 -0.280 0.000 1.363 58 I CB -0.380 37.272 38.000 -0.579 0.000 1.051 58 I HN 0.157 nan 8.210 nan 0.000 0.413 59 H N 0.603 119.633 119.070 -0.066 0.000 2.319 59 H HA -0.152 4.404 4.556 -0.001 0.000 0.299 59 H C 2.222 177.469 175.328 -0.135 0.000 1.092 59 H CA 1.217 57.206 56.048 -0.098 0.000 1.302 59 H CB 0.057 29.692 29.762 -0.212 0.000 1.373 59 H HN 0.362 nan 8.280 nan 0.000 0.497 60 E N 0.533 120.703 120.200 -0.050 0.000 2.077 60 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 60 E C 2.197 178.834 176.600 0.060 0.000 0.989 60 E CA 1.460 57.851 56.400 -0.014 0.000 0.800 60 E CB -0.572 29.130 29.700 0.004 0.000 0.746 60 E HN 0.486 nan 8.360 nan 0.000 0.452 61 T N 3.216 117.836 114.554 0.110 0.000 2.652 61 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 61 T C 2.259 177.036 174.700 0.130 0.000 1.039 61 T CA 1.719 63.910 62.100 0.152 0.000 1.153 61 T CB -0.508 68.541 68.868 0.303 0.000 0.863 61 T HN 0.402 nan 8.240 nan 0.000 0.428 62 I N -0.099 120.579 120.570 0.180 0.000 2.179 62 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 62 I C 2.261 178.416 176.117 0.063 0.000 1.088 62 I CA 1.669 63.052 61.300 0.139 0.000 1.357 62 I CB -0.739 37.375 38.000 0.189 0.000 1.051 62 I HN 0.149 nan 8.210 nan 0.000 0.409 63 I N 1.469 122.077 120.570 0.063 0.000 2.127 63 I HA -0.286 3.883 4.170 -0.000 0.000 0.241 63 I C 2.841 178.924 176.117 -0.057 0.000 1.075 63 I CA 1.911 63.228 61.300 0.030 0.000 1.334 63 I CB -0.489 37.570 38.000 0.099 0.000 1.040 63 I HN 0.255 nan 8.210 nan 0.000 0.405 64 K N 1.081 121.472 120.400 -0.016 0.000 2.097 64 K HA -0.153 4.166 4.320 -0.000 0.000 0.205 64 K C 2.200 178.743 176.600 -0.095 0.000 1.050 64 K CA 1.283 57.541 56.287 -0.047 0.000 0.938 64 K CB -0.108 32.397 32.500 0.009 0.000 0.718 64 K HN 0.307 nan 8.250 nan 0.000 0.442 65 A N 0.965 123.743 122.820 -0.069 0.000 1.940 65 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 65 A C 2.283 179.768 177.584 -0.165 0.000 1.176 65 A CA 1.955 53.931 52.037 -0.101 0.000 0.631 65 A CB -0.743 18.218 19.000 -0.065 0.000 0.814 65 A HN 0.472 nan 8.150 nan 0.000 0.446 66 A N -0.407 122.329 122.820 -0.140 0.000 1.897 66 A HA 0.278 4.598 4.320 -0.000 0.000 0.215 66 A C 2.488 179.917 177.584 -0.258 0.000 1.181 66 A CA 1.761 53.715 52.037 -0.140 0.000 0.620 66 A CB -0.925 18.064 19.000 -0.018 0.000 0.821 66 A HN 0.990 nan 8.150 nan 0.000 0.443 67 A N 0.340 122.950 122.820 -0.349 0.000 1.902 67 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 67 A C 1.664 179.084 177.584 -0.274 0.000 1.181 67 A CA 1.847 53.602 52.037 -0.470 0.000 0.623 67 A CB -0.656 17.939 19.000 -0.676 0.000 0.818 67 A HN 0.417 nan 8.150 nan 0.000 0.443 68 D N -0.115 120.151 120.400 -0.223 0.000 2.265 68 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 68 D C 1.340 177.497 176.300 -0.237 0.000 0.977 68 D CA 0.873 54.765 54.000 -0.181 0.000 0.871 68 D CB -0.237 40.475 40.800 -0.145 0.000 0.925 68 D HN 0.472 nan 8.370 nan 0.000 0.485 69 L N 0.353 121.345 121.223 -0.385 0.000 2.611 69 L HA 0.194 4.534 4.340 -0.000 0.000 0.229 69 L C 0.521 177.171 176.870 -0.367 0.000 1.137 69 L CA -0.231 54.279 54.840 -0.550 0.000 0.901 69 L CB 0.129 41.462 42.059 -1.210 0.000 1.098 69 L HN -0.135 nan 8.230 nan 0.000 0.456 70 I N 0.686 121.145 120.570 -0.185 0.000 2.517 70 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 70 I C 0.601 176.690 176.117 -0.048 0.000 1.106 70 I CA 0.477 61.754 61.300 -0.040 0.000 1.402 70 I CB 0.376 38.351 38.000 -0.042 0.000 1.399 70 I HN 0.218 nan 8.210 nan 0.000 0.535 71 S N 5.601 121.292 115.700 -0.015 0.000 2.625 71 S HA 0.442 4.912 4.470 -0.000 0.000 0.271 71 S C 0.616 175.155 174.600 -0.101 0.000 1.161 71 S CA -1.140 57.024 58.200 -0.060 0.000 0.820 71 S CB 1.656 64.827 63.200 -0.049 0.000 1.137 71 S HN 0.704 nan 8.310 nan 0.000 0.470 72 R N 0.419 120.791 120.500 -0.214 0.000 2.148 72 R HA 0.012 4.352 4.340 -0.000 0.000 0.227 72 R C 0.225 176.423 176.300 -0.169 0.000 1.103 72 R CA 1.422 57.250 56.100 -0.453 0.000 0.983 72 R CB -0.727 29.074 30.300 -0.833 0.000 0.874 72 R HN 0.595 nan 8.270 nan 0.000 0.451 73 D N 1.094 121.459 120.400 -0.058 0.000 2.323 73 D HA 0.062 4.702 4.640 -0.000 0.000 0.209 73 D C 0.215 176.546 176.300 0.051 0.000 0.973 73 D CA 0.911 54.923 54.000 0.020 0.000 0.874 73 D CB 0.576 41.380 40.800 0.007 0.000 0.930 73 D HN 0.358 nan 8.370 nan 0.000 0.521 74 A N 1.463 124.326 122.820 0.071 0.000 3.258 74 A HA 0.319 4.638 4.320 -0.000 0.000 0.318 74 A C -1.768 175.888 177.584 0.119 0.000 0.990 74 A CA -0.910 51.197 52.037 0.117 0.000 0.885 74 A CB 0.934 20.080 19.000 0.244 0.000 1.090 74 A HN -0.141 nan 8.150 nan 0.000 0.479 75 P HA -0.141 nan 4.420 nan 0.000 0.218 75 P C 0.366 177.712 177.300 0.077 0.000 1.149 75 P CA 1.140 64.281 63.100 0.067 0.000 0.817 75 P CB 0.246 32.006 31.700 0.100 0.000 0.785 76 D N -1.294 119.147 120.400 0.068 0.000 2.389 76 D HA -0.149 4.491 4.640 -0.000 0.000 0.221 76 D C 1.559 177.834 176.300 -0.042 0.000 0.974 76 D CA 0.704 54.742 54.000 0.064 0.000 0.923 76 D CB -0.841 39.947 40.800 -0.021 0.000 0.892 76 D HN 0.236 nan 8.370 nan 0.000 0.518 77 Y N 1.112 121.405 120.300 -0.012 0.000 2.403 77 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 77 Y C 2.427 178.265 175.900 -0.102 0.000 1.143 77 Y CA 1.008 59.071 58.100 -0.062 0.000 1.257 77 Y CB -0.322 38.087 38.460 -0.086 0.000 0.984 77 Y HN 0.209 nan 8.280 nan 0.000 0.550 78 Q N -1.643 118.161 119.800 0.006 0.000 2.297 78 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 78 Q C 1.058 176.927 176.000 -0.219 0.000 0.962 78 Q CA 1.520 57.252 55.803 -0.120 0.000 0.879 78 Q CB -0.603 28.017 28.738 -0.198 0.000 0.947 78 Q HN 0.482 nan 8.270 nan 0.000 0.462 79 Y N 0.294 120.626 120.300 0.053 0.000 2.397 79 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 79 Y C 1.961 177.859 175.900 -0.004 0.000 1.115 79 Y CA 0.386 58.506 58.100 0.033 0.000 1.208 79 Y CB -0.034 38.417 38.460 -0.015 0.000 1.046 79 Y HN 0.136 nan 8.280 nan 0.000 0.552 80 L N 0.189 121.455 121.223 0.073 0.000 2.027 80 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 80 L C 2.368 179.262 176.870 0.040 0.000 1.074 80 L CA 2.032 56.876 54.840 0.006 0.000 0.745 80 L CB -0.887 41.159 42.059 -0.021 0.000 0.898 80 L HN 0.115 nan 8.230 nan 0.000 0.433 81 A N -0.499 122.335 122.820 0.024 0.000 1.898 81 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 81 A C 2.454 180.152 177.584 0.190 0.000 1.181 81 A CA 1.651 53.663 52.037 -0.042 0.000 0.620 81 A CB -1.183 17.541 19.000 -0.460 0.000 0.819 81 A HN 0.581 nan 8.150 nan 0.000 0.442 82 A N 0.271 123.256 122.820 0.274 0.000 1.873 82 A HA -0.245 4.074 4.320 -0.000 0.000 0.218 82 A C 2.250 180.020 177.584 0.311 0.000 1.193 82 A CA 1.887 54.134 52.037 0.350 0.000 0.629 82 A CB -0.532 18.651 19.000 0.305 0.000 0.826 82 A HN 0.574 nan 8.150 nan 0.000 0.447 83 R N -0.645 119.994 120.500 0.231 0.000 2.115 83 R HA 0.077 4.417 4.340 -0.000 0.000 0.230 83 R C 2.059 178.569 176.300 0.351 0.000 1.111 83 R CA 1.141 57.369 56.100 0.214 0.000 0.976 83 R CB -0.454 29.767 30.300 -0.132 0.000 0.870 83 R HN 0.509 nan 8.270 nan 0.000 0.445 84 L N 0.209 121.585 121.223 0.254 0.000 2.046 84 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 84 L C 2.652 179.731 176.870 0.349 0.000 1.077 84 L CA 1.246 56.255 54.840 0.281 0.000 0.747 84 L CB -0.543 41.606 42.059 0.150 0.000 0.896 84 L HN 0.249 nan 8.230 nan 0.000 0.432 85 A N 0.093 123.113 122.820 0.334 0.000 1.898 85 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 85 A C 2.188 179.974 177.584 0.337 0.000 1.181 85 A CA 1.180 53.421 52.037 0.340 0.000 0.620 85 A CB -0.455 18.745 19.000 0.333 0.000 0.819 85 A HN 0.236 nan 8.150 nan 0.000 0.442 86 I N -1.222 119.563 120.570 0.359 0.000 2.163 86 I HA -0.237 3.932 4.170 -0.000 0.000 0.243 86 I C 2.339 178.696 176.117 0.399 0.000 1.085 86 I CA 1.486 62.998 61.300 0.354 0.000 1.347 86 I CB -1.427 36.839 38.000 0.444 0.000 1.044 86 I HN 0.478 nan 8.210 nan 0.000 0.408 87 F N 1.438 121.632 119.950 0.406 0.000 2.095 87 F HA -0.324 4.203 4.527 -0.001 0.000 0.298 87 F C 2.876 178.783 175.800 0.179 0.000 1.104 87 F CA 2.318 60.531 58.000 0.354 0.000 1.232 87 F CB -0.549 38.607 39.000 0.260 0.000 0.987 87 F HN 0.182 nan 8.300 nan 0.000 0.475 88 H N 0.307 119.532 119.070 0.259 0.000 2.353 88 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 88 H C 2.038 177.371 175.328 0.009 0.000 1.103 88 H CA 2.521 58.619 56.048 0.084 0.000 1.293 88 H CB -0.543 29.302 29.762 0.139 0.000 1.372 88 H HN 0.386 nan 8.280 nan 0.000 0.501 89 L N -0.479 120.707 121.223 -0.062 0.000 2.156 89 L HA -0.101 4.238 4.340 -0.000 0.000 0.208 89 L C 2.688 179.391 176.870 -0.278 0.000 1.095 89 L CA 0.675 55.394 54.840 -0.202 0.000 0.770 89 L CB -0.261 41.745 42.059 -0.088 0.000 0.914 89 L HN 0.208 nan 8.230 nan 0.000 0.439 90 R N 0.750 121.124 120.500 -0.210 0.000 2.091 90 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 90 R C 2.112 178.235 176.300 -0.295 0.000 1.136 90 R CA 1.247 57.190 56.100 -0.262 0.000 0.959 90 R CB -0.446 29.717 30.300 -0.229 0.000 0.856 90 R HN 0.448 nan 8.270 nan 0.000 0.437 91 K N 0.569 120.796 120.400 -0.288 0.000 2.103 91 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 91 K C 1.992 178.473 176.600 -0.198 0.000 1.052 91 K CA 0.762 56.922 56.287 -0.212 0.000 0.945 91 K CB -0.039 32.358 32.500 -0.171 0.000 0.722 91 K HN 0.132 nan 8.250 nan 0.000 0.443 92 K N 0.437 120.662 120.400 -0.292 0.000 2.365 92 K HA -0.028 4.292 4.320 -0.000 0.000 0.199 92 K C 1.864 178.303 176.600 -0.269 0.000 1.045 92 K CA 0.839 56.962 56.287 -0.274 0.000 0.962 92 K CB 0.148 32.431 32.500 -0.362 0.000 0.759 92 K HN 0.124 nan 8.250 nan 0.000 0.469 93 A N -0.407 122.170 122.820 -0.405 0.000 1.963 93 A HA 0.034 4.353 4.320 -0.000 0.000 0.207 93 A C 1.105 178.459 177.584 -0.384 0.000 1.243 93 A CA 0.473 52.196 52.037 -0.523 0.000 0.728 93 A CB 0.017 18.432 19.000 -0.976 0.000 0.895 93 A HN 0.198 nan 8.150 nan 0.000 0.467 94 Y N -1.493 118.777 120.300 -0.050 0.000 2.430 94 Y HA 0.411 4.961 4.550 -0.000 0.000 0.254 94 Y C 1.825 177.697 175.900 -0.047 0.000 1.088 94 Y CA -0.380 57.696 58.100 -0.041 0.000 1.267 94 Y CB -0.044 38.365 38.460 -0.084 0.000 1.204 94 Y HN 0.419 nan 8.280 nan 0.000 0.515 95 G N 0.780 109.601 108.800 0.035 0.000 2.184 95 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.264 95 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.264 95 G C 0.146 175.052 174.900 0.010 0.000 0.975 95 G CA 0.637 45.745 45.100 0.014 0.000 0.642 95 G HN 0.515 nan 8.290 nan 0.000 0.536 96 Q N -2.484 117.325 119.800 0.015 0.000 2.707 96 Q HA 0.717 5.057 4.340 -0.000 0.000 0.307 96 Q C 0.592 176.565 176.000 -0.046 0.000 0.934 96 Q CA -0.685 55.110 55.803 -0.013 0.000 0.753 96 Q CB 0.336 29.080 28.738 0.011 0.000 1.478 96 Q HN 0.485 nan 8.270 nan 0.000 0.458 97 F N 0.631 120.443 119.950 -0.230 0.000 2.219 97 F HA 0.237 4.764 4.527 -0.001 0.000 0.294 97 F C 0.648 176.353 175.800 -0.158 0.000 1.086 97 F CA 0.718 58.541 58.000 -0.294 0.000 1.330 97 F CB 0.474 39.255 39.000 -0.365 0.000 1.047 97 F HN 0.580 nan 8.300 nan 0.000 0.495 98 E N 3.018 123.105 120.200 -0.189 0.000 2.265 98 E HA 0.101 4.451 4.350 -0.000 0.000 0.272 98 E C -2.266 174.087 176.600 -0.412 0.000 1.067 98 E CA -1.946 54.280 56.400 -0.290 0.000 0.900 98 E CB 0.473 30.114 29.700 -0.098 0.000 1.017 98 E HN 0.079 nan 8.360 nan 0.000 0.431 99 P HA 0.061 nan 4.420 nan 0.000 0.271 99 P C -2.322 174.686 177.300 -0.487 0.000 1.216 99 P CA -0.950 61.549 63.100 -1.003 0.000 0.776 99 P CB 0.025 30.901 31.700 -1.374 0.000 0.881 100 P HA 0.024 nan 4.420 nan 0.000 0.271 100 P C -0.507 176.818 177.300 0.042 0.000 1.244 100 P CA -0.169 62.862 63.100 -0.116 0.000 0.793 100 P CB 0.286 31.944 31.700 -0.071 0.000 0.984 101 A N 1.029 123.875 122.820 0.043 0.000 2.540 101 A HA -0.038 4.282 4.320 -0.000 0.000 0.239 101 A C 1.483 179.098 177.584 0.050 0.000 1.061 101 A CA -0.331 51.751 52.037 0.076 0.000 0.758 101 A CB -0.676 18.359 19.000 0.059 0.000 0.991 101 A HN 0.641 nan 8.150 nan 0.000 0.502 102 L N 3.336 124.599 121.223 0.065 0.000 1.991 102 L HA -0.263 4.077 4.340 -0.000 0.000 0.221 102 L C 2.039 178.798 176.870 -0.184 0.000 1.079 102 L CA 2.955 57.721 54.840 -0.123 0.000 0.778 102 L CB -1.298 40.776 42.059 0.025 0.000 0.893 102 L HN 0.876 nan 8.230 nan 0.000 0.437 103 Y N 0.696 120.872 120.300 -0.207 0.000 2.081 103 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 103 Y C 2.425 178.149 175.900 -0.294 0.000 1.163 103 Y CA 2.301 60.193 58.100 -0.347 0.000 1.135 103 Y CB -0.544 37.814 38.460 -0.170 0.000 0.970 103 Y HN 0.404 nan 8.280 nan 0.000 0.498 104 D N -1.453 118.854 120.400 -0.155 0.000 2.149 104 D HA -0.227 4.412 4.640 -0.000 0.000 0.198 104 D C 1.962 178.117 176.300 -0.243 0.000 0.990 104 D CA 1.884 55.766 54.000 -0.198 0.000 0.839 104 D CB -0.542 40.227 40.800 -0.053 0.000 0.948 104 D HN 0.567 nan 8.370 nan 0.000 0.460 105 H N 0.894 119.779 119.070 -0.307 0.000 2.326 105 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 105 H C 1.983 177.128 175.328 -0.307 0.000 1.081 105 H CA 1.564 57.434 56.048 -0.296 0.000 1.334 105 H CB -0.242 29.225 29.762 -0.491 0.000 1.385 105 H HN -0.111 nan 8.280 nan 0.000 0.504 106 V N -0.100 119.527 119.914 -0.479 0.000 2.343 106 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 106 V C 2.680 178.504 176.094 -0.451 0.000 1.051 106 V CA 1.485 63.537 62.300 -0.412 0.000 1.036 106 V CB -0.771 30.709 31.823 -0.572 0.000 0.654 106 V HN 0.330 nan 8.190 nan 0.000 0.451 107 V N -0.101 119.465 119.914 -0.581 0.000 2.255 107 V HA -0.347 3.772 4.120 -0.000 0.000 0.247 107 V C 2.505 178.389 176.094 -0.350 0.000 1.051 107 V CA 2.536 64.548 62.300 -0.481 0.000 1.018 107 V CB -0.671 30.825 31.823 -0.546 0.000 0.641 107 V HN 0.536 nan 8.190 nan 0.000 0.445 108 K N -0.910 119.279 120.400 -0.353 0.000 2.063 108 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 108 K C 2.179 178.547 176.600 -0.385 0.000 1.048 108 K CA 1.651 57.751 56.287 -0.312 0.000 0.928 108 K CB -0.126 32.214 32.500 -0.265 0.000 0.713 108 K HN 0.282 nan 8.250 nan 0.000 0.442 109 M N 0.258 119.539 119.600 -0.530 0.000 2.254 109 M HA -0.103 4.377 4.480 -0.000 0.000 0.265 109 M C 2.194 178.246 176.300 -0.413 0.000 1.066 109 M CA 0.922 55.827 55.300 -0.657 0.000 1.123 109 M CB -0.423 31.403 32.600 -1.290 0.000 1.388 109 M HN -0.008 nan 8.290 nan 0.000 0.425 110 V N 0.169 119.921 119.914 -0.269 0.000 2.307 110 V HA -0.228 3.891 4.120 -0.000 0.000 0.245 110 V C 2.202 178.203 176.094 -0.154 0.000 1.045 110 V CA 1.674 63.885 62.300 -0.148 0.000 1.024 110 V CB -0.641 31.118 31.823 -0.107 0.000 0.651 110 V HN 0.365 nan 8.190 nan 0.000 0.449 111 E N 0.001 120.092 120.200 -0.182 0.000 2.108 111 E HA -0.277 4.073 4.350 -0.000 0.000 0.203 111 E C 1.986 178.490 176.600 -0.161 0.000 1.022 111 E CA 2.057 58.362 56.400 -0.157 0.000 0.823 111 E CB -0.266 29.335 29.700 -0.167 0.000 0.744 111 E HN 0.572 nan 8.360 nan 0.000 0.456 112 M N -1.502 117.965 119.600 -0.221 0.000 2.618 112 M HA 0.185 4.665 4.480 -0.000 0.000 0.240 112 M C 1.076 177.259 176.300 -0.194 0.000 1.123 112 M CA 0.667 55.828 55.300 -0.232 0.000 1.060 112 M CB 0.717 33.103 32.600 -0.357 0.000 1.535 112 M HN 0.252 nan 8.290 nan 0.000 0.507 113 G N 0.851 109.554 108.800 -0.160 0.000 2.147 113 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 113 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 113 G C 0.889 175.735 174.900 -0.089 0.000 1.005 113 G CA 0.165 45.206 45.100 -0.098 0.000 0.713 113 G HN 0.314 nan 8.290 nan 0.000 0.515 114 K N -1.170 119.129 120.400 -0.168 0.000 2.244 114 K HA 0.225 4.545 4.320 -0.000 0.000 0.200 114 K C 0.623 177.226 176.600 0.006 0.000 1.052 114 K CA 0.604 56.804 56.287 -0.144 0.000 0.980 114 K CB 0.151 32.456 32.500 -0.325 0.000 0.838 114 K HN 0.422 nan 8.250 nan 0.000 0.481 115 Y N 1.656 121.915 120.300 -0.069 0.000 2.419 115 Y HA 0.201 4.751 4.550 -0.001 0.000 0.328 115 Y C 0.599 176.478 175.900 -0.034 0.000 1.162 115 Y CA -2.272 55.803 58.100 -0.042 0.000 1.174 115 Y CB 0.405 38.808 38.460 -0.096 0.000 1.228 115 Y HN -0.034 nan 8.280 nan 0.000 0.473 116 D N 1.992 122.497 120.400 0.175 0.000 2.455 116 D HA -0.090 4.550 4.640 -0.000 0.000 0.241 116 D C 0.896 177.215 176.300 0.032 0.000 1.138 116 D CA 0.135 54.198 54.000 0.105 0.000 0.877 116 D CB 0.765 41.660 40.800 0.158 0.000 1.187 116 D HN 0.750 nan 8.370 nan 0.000 0.451 117 N N 3.421 122.155 118.700 0.057 0.000 2.459 117 N HA -0.235 4.505 4.740 -0.000 0.000 0.181 117 N C 1.524 177.087 175.510 0.088 0.000 1.046 117 N CA 0.866 53.945 53.050 0.049 0.000 0.904 117 N CB -0.591 37.921 38.487 0.043 0.000 0.964 117 N HN 0.652 nan 8.380 nan 0.000 0.444 118 H N 0.800 119.944 119.070 0.123 0.000 2.426 118 H HA -0.020 4.535 4.556 -0.001 0.000 0.298 118 H C 2.094 177.542 175.328 0.201 0.000 1.107 118 H CA 1.230 57.363 56.048 0.141 0.000 1.298 118 H CB -0.659 29.186 29.762 0.139 0.000 1.377 118 H HN 0.130 nan 8.280 nan 0.000 0.519 119 L N -0.061 121.016 121.223 -0.243 0.000 2.013 119 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 119 L C 2.485 179.600 176.870 0.408 0.000 1.073 119 L CA 1.525 56.419 54.840 0.089 0.000 0.753 119 L CB -0.373 41.710 42.059 0.040 0.000 0.890 119 L HN 0.356 nan 8.230 nan 0.000 0.432 120 L N -1.149 120.242 121.223 0.281 0.000 2.395 120 L HA -0.125 4.215 4.340 -0.000 0.000 0.218 120 L C 2.252 179.292 176.870 0.283 0.000 1.130 120 L CA 0.636 55.675 54.840 0.331 0.000 0.826 120 L CB -0.287 41.848 42.059 0.126 0.000 0.941 120 L HN 0.284 nan 8.230 nan 0.000 0.451 121 E N -0.067 120.265 120.200 0.220 0.000 2.122 121 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 121 E C 1.234 177.914 176.600 0.134 0.000 0.977 121 E CA 0.851 57.351 56.400 0.166 0.000 0.820 121 E CB 0.235 30.026 29.700 0.150 0.000 0.770 121 E HN 0.419 nan 8.360 nan 0.000 0.462 122 D N -0.989 119.504 120.400 0.154 0.000 2.333 122 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 122 D C -0.339 175.765 176.300 -0.328 0.000 0.984 122 D CA 0.753 54.717 54.000 -0.060 0.000 0.873 122 D CB 0.293 41.076 40.800 -0.027 0.000 0.935 122 D HN 0.121 nan 8.370 nan 0.000 0.521 123 Y N -0.329 119.992 120.300 0.034 0.000 2.512 123 Y HA 0.332 4.882 4.550 -0.000 0.000 0.348 123 Y C 0.685 176.627 175.900 0.069 0.000 0.990 123 Y CA -1.236 56.796 58.100 -0.114 0.000 1.033 123 Y CB 1.684 39.780 38.460 -0.608 0.000 1.259 123 Y HN -0.323 nan 8.280 nan 0.000 0.461 124 T N -2.822 111.838 114.554 0.175 0.000 2.927 124 T HA 0.232 4.582 4.350 -0.000 0.000 0.281 124 T C 0.970 175.796 174.700 0.211 0.000 0.998 124 T CA -0.659 61.550 62.100 0.181 0.000 1.019 124 T CB 1.672 70.578 68.868 0.062 0.000 1.061 124 T HN 0.863 nan 8.240 nan 0.000 0.518 125 E N 0.525 120.728 120.200 0.005 0.000 2.114 125 E HA -0.290 4.059 4.350 -0.000 0.000 0.199 125 E C 1.627 178.127 176.600 -0.167 0.000 1.008 125 E CA 2.002 58.148 56.400 -0.422 0.000 0.810 125 E CB -0.099 29.119 29.700 -0.804 0.000 0.739 125 E HN 0.821 nan 8.360 nan 0.000 0.456 126 E N 0.466 120.607 120.200 -0.098 0.000 2.077 126 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 126 E C 1.991 178.560 176.600 -0.051 0.000 0.989 126 E CA 1.458 57.816 56.400 -0.070 0.000 0.800 126 E CB -0.052 29.619 29.700 -0.049 0.000 0.746 126 E HN 0.362 nan 8.360 nan 0.000 0.452 127 E N -0.374 119.808 120.200 -0.030 0.000 2.106 127 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 127 E C 1.661 178.163 176.600 -0.164 0.000 0.984 127 E CA 0.640 57.000 56.400 -0.066 0.000 0.806 127 E CB -0.118 29.585 29.700 0.005 0.000 0.750 127 E HN 0.205 nan 8.360 nan 0.000 0.458 128 F N 1.481 121.405 119.950 -0.043 0.000 2.146 128 F HA -0.127 4.399 4.527 -0.001 0.000 0.298 128 F C 2.322 178.046 175.800 -0.127 0.000 1.096 128 F CA 1.095 59.054 58.000 -0.069 0.000 1.275 128 F CB -0.124 38.938 39.000 0.103 0.000 1.008 128 F HN -0.148 nan 8.300 nan 0.000 0.480 129 K N 0.010 120.441 120.400 0.052 0.000 2.063 129 K HA -0.264 4.056 4.320 -0.000 0.000 0.208 129 K C 2.199 178.704 176.600 -0.158 0.000 1.048 129 K CA 1.632 57.892 56.287 -0.044 0.000 0.928 129 K CB -0.294 32.170 32.500 -0.060 0.000 0.713 129 K HN 0.347 nan 8.250 nan 0.000 0.442 130 Q N 0.238 119.908 119.800 -0.217 0.000 2.050 130 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 130 Q C 2.148 177.637 176.000 -0.853 0.000 0.980 130 Q CA 1.529 57.103 55.803 -0.381 0.000 0.840 130 Q CB 0.018 28.600 28.738 -0.259 0.000 0.898 130 Q HN 0.318 nan 8.270 nan 0.000 0.424 131 M N 0.343 119.488 119.600 -0.757 0.000 2.144 131 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 131 M C 1.594 177.530 176.300 -0.606 0.000 1.067 131 M CA 1.341 56.126 55.300 -0.858 0.000 1.095 131 M CB -0.266 32.101 32.600 -0.389 0.000 1.365 131 M HN 0.158 nan 8.290 nan 0.000 0.406 132 D N -0.146 120.055 120.400 -0.332 0.000 2.218 132 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 132 D C 1.953 178.137 176.300 -0.193 0.000 0.976 132 D CA 1.737 55.637 54.000 -0.167 0.000 0.853 132 D CB -0.004 40.770 40.800 -0.042 0.000 0.939 132 D HN 0.441 nan 8.370 nan 0.000 0.481 133 T N -2.353 112.030 114.554 -0.286 0.000 3.055 133 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 133 T C 1.744 176.444 174.700 -0.000 0.000 1.111 133 T CA 0.395 62.407 62.100 -0.147 0.000 1.118 133 T CB -0.500 68.300 68.868 -0.114 0.000 0.909 133 T HN -0.053 nan 8.240 nan 0.000 0.501 134 F N 1.642 121.530 119.950 -0.104 0.000 2.293 134 F HA 0.428 4.955 4.527 -0.001 0.000 0.297 134 F C 1.319 177.032 175.800 -0.146 0.000 1.089 134 F CA -1.570 56.363 58.000 -0.112 0.000 1.377 134 F CB -0.959 37.948 39.000 -0.154 0.000 1.051 134 F HN 0.187 nan 8.300 nan 0.000 0.511 135 I N 1.637 122.127 120.570 -0.134 0.000 2.648 135 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 135 I C -0.055 176.007 176.117 -0.092 0.000 1.153 135 I CA 0.356 61.505 61.300 -0.251 0.000 1.426 135 I CB 0.246 38.008 38.000 -0.396 0.000 1.381 135 I HN -0.077 nan 8.210 nan 0.000 0.571 136 D N 5.468 125.890 120.400 0.038 0.000 2.446 136 D HA 0.162 4.802 4.640 -0.000 0.000 0.251 136 D C 0.903 177.208 176.300 0.009 0.000 1.137 136 D CA -0.374 53.633 54.000 0.011 0.000 0.890 136 D CB 0.510 41.348 40.800 0.062 0.000 1.071 136 D HN 0.370 nan 8.370 nan 0.000 0.528 137 H N 1.750 120.852 119.070 0.053 0.000 2.518 137 H HA -0.071 4.485 4.556 -0.000 0.000 0.289 137 H C 0.653 176.030 175.328 0.082 0.000 1.051 137 H CA 0.791 56.846 56.048 0.013 0.000 1.280 137 H CB 0.436 30.131 29.762 -0.111 0.000 1.380 137 H HN 0.493 nan 8.280 nan 0.000 0.566 138 D N 0.520 121.043 120.400 0.205 0.000 2.264 138 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 138 D C 1.985 178.371 176.300 0.143 0.000 0.966 138 D CA 0.388 54.511 54.000 0.205 0.000 0.864 138 D CB -0.001 40.898 40.800 0.164 0.000 0.933 138 D HN 0.426 nan 8.370 nan 0.000 0.499 139 R N 0.645 121.195 120.500 0.083 0.000 2.285 139 R HA -0.081 4.259 4.340 -0.000 0.000 0.213 139 R C 1.011 177.304 176.300 -0.011 0.000 1.068 139 R CA 0.588 56.669 56.100 -0.032 0.000 1.004 139 R CB -0.111 30.104 30.300 -0.142 0.000 0.873 139 R HN 0.138 nan 8.270 nan 0.000 0.467 140 D N 0.836 121.363 120.400 0.211 0.000 2.218 140 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 140 D C 1.387 177.932 176.300 0.409 0.000 0.976 140 D CA 1.055 55.319 54.000 0.441 0.000 0.853 140 D CB 0.023 41.085 40.800 0.438 0.000 0.939 140 D HN 0.034 nan 8.370 nan 0.000 0.481 141 M N -0.165 119.593 119.600 0.264 0.000 2.630 141 M HA -0.029 4.451 4.480 -0.000 0.000 0.254 141 M C 1.633 178.010 176.300 0.129 0.000 1.092 141 M CA 0.778 56.199 55.300 0.202 0.000 1.087 141 M CB -0.358 32.321 32.600 0.131 0.000 1.453 141 M HN 0.015 nan 8.290 nan 0.000 0.509 142 T N -3.163 111.428 114.554 0.062 0.000 3.086 142 T HA 0.187 4.536 4.350 -0.000 0.000 0.250 142 T C 0.353 175.178 174.700 0.208 0.000 1.074 142 T CA -0.337 61.790 62.100 0.046 0.000 0.988 142 T CB -0.399 68.478 68.868 0.016 0.000 0.988 142 T HN -0.015 nan 8.240 nan 0.000 0.530 143 F N 3.699 123.899 119.950 0.416 0.000 2.418 143 F HA 0.467 4.994 4.527 -0.000 0.000 0.341 143 F C 1.358 177.349 175.800 0.319 0.000 1.120 143 F CA -0.972 57.235 58.000 0.344 0.000 1.232 143 F CB 0.724 39.888 39.000 0.272 0.000 1.175 143 F HN 0.167 nan 8.300 nan 0.000 0.569 144 S N 2.510 118.399 115.700 0.315 0.000 2.632 144 S HA 0.107 4.577 4.470 -0.000 0.000 0.267 144 S C 0.859 175.483 174.600 0.040 0.000 1.276 144 S CA -0.593 57.538 58.200 -0.115 0.000 0.998 144 S CB 0.455 63.517 63.200 -0.229 0.000 0.953 144 S HN 0.649 nan 8.310 nan 0.000 0.547 145 Y N 2.049 122.267 120.300 -0.136 0.000 2.081 145 Y HA -0.141 4.408 4.550 -0.001 0.000 0.280 145 Y C 2.569 178.446 175.900 -0.039 0.000 1.163 145 Y CA 2.158 60.228 58.100 -0.049 0.000 1.135 145 Y CB -1.177 37.249 38.460 -0.056 0.000 0.970 145 Y HN 0.843 nan 8.280 nan 0.000 0.498 146 A N 0.288 123.019 122.820 -0.148 0.000 1.972 146 A HA -0.085 4.234 4.320 -0.000 0.000 0.219 146 A C 2.447 179.909 177.584 -0.203 0.000 1.169 146 A CA 1.786 53.689 52.037 -0.223 0.000 0.635 146 A CB -1.462 17.485 19.000 -0.089 0.000 0.810 146 A HN 0.622 nan 8.150 nan 0.000 0.446 147 A N -0.366 122.386 122.820 -0.113 0.000 1.865 147 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 147 A C 2.211 179.666 177.584 -0.215 0.000 1.191 147 A CA 1.965 53.953 52.037 -0.082 0.000 0.623 147 A CB -1.072 17.992 19.000 0.108 0.000 0.826 147 A HN 0.455 nan 8.150 nan 0.000 0.444 148 V N 0.494 120.280 119.914 -0.214 0.000 2.407 148 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 148 V C 2.460 178.384 176.094 -0.283 0.000 1.055 148 V CA 2.130 64.278 62.300 -0.254 0.000 1.049 148 V CB -0.641 31.119 31.823 -0.105 0.000 0.662 148 V HN 0.428 nan 8.190 nan 0.000 0.455 149 K N -0.186 119.990 120.400 -0.373 0.000 2.148 149 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 149 K C 2.184 178.620 176.600 -0.273 0.000 1.050 149 K CA 1.013 57.098 56.287 -0.336 0.000 0.942 149 K CB -0.363 31.881 32.500 -0.427 0.000 0.724 149 K HN 0.477 nan 8.250 nan 0.000 0.446 150 Q N 0.685 120.306 119.800 -0.299 0.000 2.079 150 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 150 Q C 2.427 178.133 176.000 -0.489 0.000 0.974 150 Q CA 0.822 56.392 55.803 -0.388 0.000 0.840 150 Q CB -0.327 28.181 28.738 -0.383 0.000 0.898 150 Q HN 0.304 nan 8.270 nan 0.000 0.430 151 L N 0.789 121.796 121.223 -0.359 0.000 2.013 151 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 151 L C 2.547 179.314 176.870 -0.172 0.000 1.073 151 L CA 1.675 56.371 54.840 -0.241 0.000 0.753 151 L CB -0.413 41.483 42.059 -0.272 0.000 0.890 151 L HN 0.314 nan 8.230 nan 0.000 0.432 152 E N -0.214 119.880 120.200 -0.178 0.000 2.158 152 E HA -0.126 4.223 4.350 -0.000 0.000 0.191 152 E C 2.121 178.655 176.600 -0.110 0.000 0.982 152 E CA 0.902 57.229 56.400 -0.121 0.000 0.823 152 E CB 0.006 29.644 29.700 -0.103 0.000 0.766 152 E HN 0.446 nan 8.360 nan 0.000 0.468 153 G N 1.131 109.843 108.800 -0.146 0.000 2.453 153 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.215 153 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.215 153 G C 1.450 176.294 174.900 -0.094 0.000 1.147 153 G CA 0.923 45.954 45.100 -0.115 0.000 0.802 153 G HN 0.338 nan 8.290 nan 0.000 0.535 154 K N -2.338 117.979 120.400 -0.139 0.000 2.589 154 K HA 0.289 4.608 4.320 -0.000 0.000 0.218 154 K C 0.972 177.689 176.600 0.194 0.000 1.468 154 K CA -0.222 56.045 56.287 -0.033 0.000 1.002 154 K CB 0.122 32.581 32.500 -0.068 0.000 1.200 154 K HN 0.116 nan 8.250 nan 0.000 0.614 155 Y N 1.902 122.199 120.300 -0.005 0.000 2.422 155 Y HA 0.379 4.929 4.550 -0.000 0.000 0.291 155 Y C 0.995 176.910 175.900 0.025 0.000 1.144 155 Y CA -0.931 57.176 58.100 0.012 0.000 1.208 155 Y CB -0.009 38.443 38.460 -0.014 0.000 1.195 155 Y HN -0.146 nan 8.280 nan 0.000 0.535 156 L N 1.083 122.400 121.223 0.157 0.000 2.490 156 L HA 0.070 4.410 4.340 -0.000 0.000 0.274 156 L C 0.092 177.034 176.870 0.120 0.000 1.201 156 L CA -0.306 54.601 54.840 0.111 0.000 0.869 156 L CB 0.402 42.479 42.059 0.031 0.000 1.123 156 L HN -0.232 nan 8.230 nan 0.000 0.484 157 V N 4.233 124.256 119.914 0.181 0.000 2.529 157 V HA 0.064 4.184 4.120 -0.000 0.000 0.292 157 V C 0.363 176.539 176.094 0.137 0.000 1.028 157 V CA 0.243 62.665 62.300 0.202 0.000 1.074 157 V CB 0.748 32.743 31.823 0.287 0.000 0.958 157 V HN 0.937 nan 8.190 nan 0.000 0.481 158 Q N 4.055 123.905 119.800 0.083 0.000 2.685 158 Q HA 0.411 4.750 4.340 -0.000 0.000 0.301 158 Q C -1.081 174.880 176.000 -0.065 0.000 0.924 158 Q CA -1.048 54.648 55.803 -0.179 0.000 0.755 158 Q CB 1.583 30.216 28.738 -0.175 0.000 1.470 158 Q HN 0.466 nan 8.270 nan 0.000 0.434 159 N N 0.550 119.111 118.700 -0.231 0.000 2.414 159 N HA 0.177 4.916 4.740 -0.000 0.000 0.256 159 N C 0.153 175.640 175.510 -0.038 0.000 1.029 159 N CA 0.029 53.066 53.050 -0.021 0.000 0.948 159 N CB 1.258 39.749 38.487 0.005 0.000 1.102 159 N HN 0.721 nan 8.380 nan 0.000 0.496 160 R N 2.579 123.082 120.500 0.004 0.000 2.090 160 R HA 0.001 4.341 4.340 -0.000 0.000 0.228 160 R C 1.531 177.829 176.300 -0.003 0.000 1.110 160 R CA 0.992 57.091 56.100 -0.002 0.000 0.973 160 R CB 0.058 30.366 30.300 0.013 0.000 0.869 160 R HN 0.434 nan 8.270 nan 0.000 0.440 161 V N -0.100 119.818 119.914 0.007 0.000 2.222 161 V HA -0.270 3.849 4.120 -0.000 0.000 0.240 161 V C 2.287 178.380 176.094 -0.002 0.000 1.040 161 V CA 2.415 64.718 62.300 0.006 0.000 0.988 161 V CB -0.853 30.979 31.823 0.014 0.000 0.633 161 V HN 0.608 nan 8.190 nan 0.000 0.452 162 T N -2.279 112.274 114.554 -0.002 0.000 3.085 162 T HA 0.235 4.585 4.350 -0.000 0.000 0.263 162 T C 1.511 176.193 174.700 -0.031 0.000 1.127 162 T CA 1.296 63.391 62.100 -0.008 0.000 1.103 162 T CB 0.401 69.273 68.868 0.005 0.000 0.921 162 T HN 1.259 nan 8.240 nan 0.000 0.510 163 G N 1.070 109.838 108.800 -0.054 0.000 2.199 163 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 163 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 163 G C -0.170 174.642 174.900 -0.146 0.000 0.982 163 G CA 0.032 45.085 45.100 -0.078 0.000 0.632 163 G HN 0.675 nan 8.290 nan 0.000 0.529 164 E N 0.010 120.088 120.200 -0.202 0.000 2.452 164 E HA 0.405 4.755 4.350 -0.000 0.000 0.261 164 E C 0.096 176.339 176.600 -0.596 0.000 0.987 164 E CA 0.104 56.297 56.400 -0.345 0.000 0.926 164 E CB 0.867 30.379 29.700 -0.313 0.000 0.934 164 E HN 0.376 nan 8.360 nan 0.000 0.452 165 I N 2.949 123.224 120.570 -0.491 0.000 2.359 165 I HA 0.053 4.222 4.170 -0.000 0.000 0.294 165 I C -0.170 175.685 176.117 -0.437 0.000 0.987 165 I CA -0.135 60.887 61.300 -0.462 0.000 1.225 165 I CB 0.708 38.551 38.000 -0.262 0.000 1.366 165 I HN 0.553 nan 8.210 nan 0.000 0.466 166 Y N 3.240 123.501 120.300 -0.066 0.000 2.462 166 Y HA 0.229 4.779 4.550 -0.000 0.000 0.253 166 Y C 0.816 176.767 175.900 0.085 0.000 1.095 166 Y CA -0.439 57.638 58.100 -0.039 0.000 1.283 166 Y CB 0.036 38.460 38.460 -0.060 0.000 1.138 166 Y HN 0.537 nan 8.280 nan 0.000 0.522 167 E N 0.009 120.341 120.200 0.220 0.000 2.423 167 E HA 0.650 4.999 4.350 -0.000 0.000 0.269 167 E C -0.868 175.798 176.600 0.109 0.000 0.948 167 E CA -0.929 55.670 56.400 0.331 0.000 0.802 167 E CB 2.221 32.236 29.700 0.525 0.000 1.339 167 E HN -0.034 nan 8.360 nan 0.000 0.445 168 S N -0.464 115.327 115.700 0.152 0.000 2.677 168 S HA 0.646 5.116 4.470 -0.000 0.000 0.304 168 S C 0.892 175.533 174.600 0.068 0.000 1.108 168 S CA -0.316 57.903 58.200 0.032 0.000 0.944 168 S CB 1.330 64.514 63.200 -0.027 0.000 1.127 168 S HN 0.770 nan 8.310 nan 0.000 0.511 169 A N 0.518 123.378 122.820 0.067 0.000 1.933 169 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 169 A C 2.126 179.784 177.584 0.123 0.000 1.175 169 A CA 1.317 53.383 52.037 0.048 0.000 0.628 169 A CB -0.894 18.198 19.000 0.153 0.000 0.814 169 A HN 0.727 nan 8.150 nan 0.000 0.444 170 Q N -1.068 118.891 119.800 0.265 0.000 2.167 170 Q HA -0.077 4.262 4.340 -0.000 0.000 0.202 170 Q C 1.794 178.025 176.000 0.384 0.000 0.970 170 Q CA 0.956 56.999 55.803 0.400 0.000 0.855 170 Q CB -0.578 28.323 28.738 0.272 0.000 0.911 170 Q HN 0.681 nan 8.270 nan 0.000 0.438 171 F N 0.962 121.051 119.950 0.232 0.000 2.134 171 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 171 F C 2.315 178.209 175.800 0.158 0.000 1.097 171 F CA 0.329 58.429 58.000 0.166 0.000 1.264 171 F CB -1.259 37.811 39.000 0.118 0.000 1.001 171 F HN 0.072 nan 8.300 nan 0.000 0.479 172 L N -1.154 120.254 121.223 0.309 0.000 2.013 172 L HA -0.309 4.030 4.340 -0.000 0.000 0.212 172 L C 2.447 179.426 176.870 0.182 0.000 1.073 172 L CA 1.722 56.651 54.840 0.148 0.000 0.753 172 L CB -0.589 41.455 42.059 -0.025 0.000 0.890 172 L HN 0.031 nan 8.230 nan 0.000 0.432 173 Y N -0.677 119.813 120.300 0.316 0.000 2.200 173 Y HA -0.219 4.330 4.550 -0.000 0.000 0.290 173 Y C 2.288 178.438 175.900 0.416 0.000 1.137 173 Y CA 1.392 59.702 58.100 0.351 0.000 1.163 173 Y CB -0.483 38.198 38.460 0.369 0.000 0.988 173 Y HN 0.223 nan 8.280 nan 0.000 0.518 174 I N -0.518 120.353 120.570 0.502 0.000 2.394 174 I HA -0.207 3.962 4.170 -0.000 0.000 0.251 174 I C 1.824 178.045 176.117 0.174 0.000 1.136 174 I CA 1.436 62.882 61.300 0.243 0.000 1.425 174 I CB -0.340 37.647 38.000 -0.022 0.000 1.079 174 I HN 0.112 nan 8.210 nan 0.000 0.425 175 L N -1.474 119.836 121.223 0.146 0.000 2.270 175 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 175 L C 2.415 179.304 176.870 0.033 0.000 1.104 175 L CA 0.228 55.076 54.840 0.013 0.000 0.804 175 L CB -0.478 41.497 42.059 -0.140 0.000 0.937 175 L HN 0.027 nan 8.230 nan 0.000 0.450 176 V N 0.479 120.467 119.914 0.124 0.000 2.255 176 V HA -0.343 3.776 4.120 -0.000 0.000 0.247 176 V C 2.798 178.956 176.094 0.106 0.000 1.051 176 V CA 2.052 64.419 62.300 0.113 0.000 1.018 176 V CB -0.842 31.119 31.823 0.229 0.000 0.641 176 V HN 0.490 nan 8.190 nan 0.000 0.445 177 A N -0.044 122.946 122.820 0.284 0.000 1.851 177 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 177 A C 2.479 180.178 177.584 0.192 0.000 1.195 177 A CA 2.623 54.845 52.037 0.308 0.000 0.622 177 A CB -1.188 18.115 19.000 0.505 0.000 0.831 177 A HN 0.637 nan 8.150 nan 0.000 0.444 178 A N -0.823 122.052 122.820 0.093 0.000 1.881 178 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 178 A C 2.385 180.056 177.584 0.145 0.000 1.215 178 A CA 2.178 54.202 52.037 -0.022 0.000 0.648 178 A CB -1.604 17.195 19.000 -0.335 0.000 0.832 178 A HN 0.680 nan 8.150 nan 0.000 0.455 179 C N -0.956 118.375 119.300 0.051 0.000 2.413 179 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 179 C C 2.672 177.547 174.990 -0.192 0.000 1.228 179 C CA 1.168 60.199 59.018 0.022 0.000 1.731 179 C CB -1.567 26.115 27.740 -0.096 0.000 2.042 179 C HN 0.633 nan 8.230 nan 0.000 0.468 180 L N -1.129 119.893 121.223 -0.335 0.000 2.141 180 L HA -0.079 4.260 4.340 -0.000 0.000 0.209 180 L C 1.436 177.891 176.870 -0.691 0.000 1.094 180 L CA 1.504 55.967 54.840 -0.629 0.000 0.763 180 L CB -0.441 41.114 42.059 -0.839 0.000 0.908 180 L HN 0.321 nan 8.230 nan 0.000 0.437 181 F N -1.017 118.801 119.950 -0.220 0.000 2.684 181 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 181 F C 2.176 178.015 175.800 0.065 0.000 1.120 181 F CA -0.034 57.846 58.000 -0.199 0.000 1.332 181 F CB -0.127 38.658 39.000 -0.359 0.000 0.986 181 F HN 0.008 nan 8.300 nan 0.000 0.524 182 S N -0.850 114.961 115.700 0.186 0.000 2.423 182 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 182 S C 1.291 175.924 174.600 0.055 0.000 1.014 182 S CA 1.167 59.456 58.200 0.148 0.000 0.965 182 S CB -0.593 62.729 63.200 0.204 0.000 0.785 182 S HN 0.483 nan 8.310 nan 0.000 0.495 183 N N -0.109 118.651 118.700 0.100 0.000 2.383 183 N HA 0.204 4.943 4.740 -0.000 0.000 0.192 183 N C -0.777 174.759 175.510 0.044 0.000 1.141 183 N CA -0.138 52.935 53.050 0.039 0.000 0.851 183 N CB -0.024 38.456 38.487 -0.013 0.000 0.976 183 N HN 0.326 nan 8.380 nan 0.000 0.465 184 Y N 2.021 122.318 120.300 -0.005 0.000 2.411 184 Y HA 0.137 4.687 4.550 -0.000 0.000 0.333 184 Y C -1.689 174.222 175.900 0.018 0.000 1.186 184 Y CA -2.449 55.666 58.100 0.025 0.000 1.381 184 Y CB 0.232 38.754 38.460 0.103 0.000 1.273 184 Y HN 0.046 nan 8.280 nan 0.000 0.546 185 P HA 0.026 nan 4.420 nan 0.000 0.266 185 P C 0.237 177.590 177.300 0.089 0.000 1.195 185 P CA -0.091 63.035 63.100 0.044 0.000 0.768 185 P CB 0.858 32.569 31.700 0.018 0.000 0.838 186 R N 2.049 122.576 120.500 0.045 0.000 2.185 186 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 186 R C 2.098 178.437 176.300 0.065 0.000 1.159 186 R CA 1.768 57.895 56.100 0.045 0.000 0.988 186 R CB -0.331 29.979 30.300 0.017 0.000 0.871 186 R HN 0.559 nan 8.270 nan 0.000 0.458 187 E N -1.224 119.014 120.200 0.063 0.000 2.150 187 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 187 E C 1.411 178.056 176.600 0.074 0.000 0.985 187 E CA 1.811 58.244 56.400 0.056 0.000 0.814 187 E CB -0.296 29.428 29.700 0.041 0.000 0.752 187 E HN 0.550 nan 8.360 nan 0.000 0.466 188 T N -2.303 112.336 114.554 0.142 0.000 2.955 188 T HA 0.208 4.558 4.350 -0.000 0.000 0.251 188 T C 1.860 176.697 174.700 0.229 0.000 1.002 188 T CA 0.090 62.298 62.100 0.180 0.000 0.970 188 T CB 0.370 69.439 68.868 0.336 0.000 1.091 188 T HN 0.029 nan 8.240 nan 0.000 0.495 189 R N 1.395 122.047 120.500 0.253 0.000 2.154 189 R HA -0.027 4.312 4.340 -0.000 0.000 0.236 189 R C 2.178 178.579 176.300 0.168 0.000 1.121 189 R CA 1.986 58.238 56.100 0.253 0.000 0.915 189 R CB -0.876 29.558 30.300 0.224 0.000 0.856 189 R HN 0.391 nan 8.270 nan 0.000 0.431 190 L N 0.562 121.885 121.223 0.167 0.000 2.261 190 L HA -0.194 4.146 4.340 -0.000 0.000 0.216 190 L C 2.821 179.710 176.870 0.031 0.000 1.114 190 L CA 1.232 56.187 54.840 0.191 0.000 0.777 190 L CB -0.527 41.688 42.059 0.260 0.000 0.910 190 L HN 0.545 nan 8.230 nan 0.000 0.440 191 Q N -0.462 119.293 119.800 -0.075 0.000 2.049 191 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 191 Q C 2.260 178.034 176.000 -0.376 0.000 0.971 191 Q CA 1.547 57.194 55.803 -0.260 0.000 0.833 191 Q CB -0.068 28.506 28.738 -0.273 0.000 0.896 191 Q HN 0.407 nan 8.270 nan 0.000 0.434 192 Y N -0.024 120.050 120.300 -0.377 0.000 2.224 192 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 192 Y C 2.361 177.821 175.900 -0.733 0.000 1.146 192 Y CA 1.120 58.793 58.100 -0.712 0.000 1.182 192 Y CB -0.347 37.408 38.460 -1.176 0.000 0.983 192 Y HN -0.042 nan 8.280 nan 0.000 0.524 193 V N 0.341 120.081 119.914 -0.289 0.000 2.261 193 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 193 V C 2.435 178.526 176.094 -0.005 0.000 1.047 193 V CA 2.259 64.520 62.300 -0.065 0.000 1.015 193 V CB -0.586 31.300 31.823 0.105 0.000 0.642 193 V HN 0.342 nan 8.190 nan 0.000 0.446 194 K N -0.051 120.213 120.400 -0.227 0.000 2.032 194 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 194 K C 2.391 178.864 176.600 -0.212 0.000 1.048 194 K CA 1.692 57.695 56.287 -0.473 0.000 0.927 194 K CB -0.158 31.578 32.500 -1.274 0.000 0.712 194 K HN 0.337 nan 8.250 nan 0.000 0.441 195 R N -0.631 119.722 120.500 -0.244 0.000 2.075 195 R HA -0.113 4.226 4.340 -0.000 0.000 0.232 195 R C 2.339 178.589 176.300 -0.083 0.000 1.126 195 R CA 1.520 57.507 56.100 -0.187 0.000 0.963 195 R CB -0.377 29.783 30.300 -0.233 0.000 0.858 195 R HN 0.242 nan 8.270 nan 0.000 0.435 196 F N 0.473 120.329 119.950 -0.157 0.000 2.146 196 F HA -0.251 4.276 4.527 -0.001 0.000 0.298 196 F C 2.242 178.029 175.800 -0.022 0.000 1.096 196 F CA 1.319 59.291 58.000 -0.046 0.000 1.275 196 F CB -0.428 38.607 39.000 0.059 0.000 1.008 196 F HN -0.004 nan 8.300 nan 0.000 0.480 197 Y N 1.212 121.535 120.300 0.039 0.000 2.165 197 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 197 Y C 2.159 177.930 175.900 -0.216 0.000 1.155 197 Y CA 2.188 60.268 58.100 -0.034 0.000 1.164 197 Y CB -0.893 37.612 38.460 0.075 0.000 0.978 197 Y HN 0.048 nan 8.280 nan 0.000 0.513 198 D N 0.256 120.425 120.400 -0.384 0.000 2.117 198 D HA -0.170 4.469 4.640 -0.000 0.000 0.197 198 D C 2.308 178.294 176.300 -0.524 0.000 0.987 198 D CA 1.601 55.307 54.000 -0.490 0.000 0.829 198 D CB -0.586 40.059 40.800 -0.258 0.000 0.961 198 D HN 0.508 nan 8.370 nan 0.000 0.460 199 A N 0.572 123.125 122.820 -0.444 0.000 1.930 199 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 199 A C 2.445 179.717 177.584 -0.519 0.000 1.175 199 A CA 1.960 53.752 52.037 -0.410 0.000 0.627 199 A CB -0.634 18.166 19.000 -0.334 0.000 0.815 199 A HN 0.239 nan 8.150 nan 0.000 0.443 200 V N -1.615 117.871 119.914 -0.714 0.000 2.535 200 V HA -0.097 4.022 4.120 -0.000 0.000 0.246 200 V C 2.365 177.794 176.094 -1.109 0.000 1.045 200 V CA 2.102 63.945 62.300 -0.760 0.000 1.058 200 V CB -1.116 30.296 31.823 -0.684 0.000 0.689 200 V HN 0.628 nan 8.190 nan 0.000 0.461 201 S N 1.823 116.750 115.700 -1.288 0.000 2.453 201 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 201 S C 1.748 175.612 174.600 -1.228 0.000 1.005 201 S CA 1.278 58.668 58.200 -1.350 0.000 0.949 201 S CB -0.970 61.509 63.200 -1.202 0.000 0.774 201 S HN 0.896 nan 8.310 nan 0.000 0.510 202 T N -2.301 111.665 114.554 -0.980 0.000 3.186 202 T HA 0.392 4.741 4.350 -0.000 0.000 0.257 202 T C 0.195 174.534 174.700 -0.603 0.000 1.029 202 T CA -0.548 61.044 62.100 -0.848 0.000 0.916 202 T CB -1.025 67.562 68.868 -0.468 0.000 1.041 202 T HN 0.279 nan 8.240 nan 0.000 0.562 203 F N -0.549 119.256 119.950 -0.242 0.000 2.953 203 F HA -0.215 4.312 4.527 -0.000 0.000 0.292 203 F C 1.216 176.974 175.800 -0.071 0.000 0.747 203 F CA 0.320 58.250 58.000 -0.116 0.000 1.222 203 F CB -2.386 36.594 39.000 -0.033 0.000 1.457 203 F HN 0.265 nan 8.300 nan 0.000 0.383 204 K N 0.417 120.807 120.400 -0.017 0.000 2.057 204 K HA 0.198 4.518 4.320 -0.000 0.000 0.206 204 K C 0.802 177.449 176.600 0.077 0.000 1.050 204 K CA 1.337 57.634 56.287 0.017 0.000 0.935 204 K CB 0.198 32.662 32.500 -0.061 0.000 0.715 204 K HN 0.410 nan 8.250 nan 0.000 0.439 205 I N -0.028 120.536 120.570 -0.010 0.000 2.433 205 I HA 0.143 4.313 4.170 -0.000 0.000 0.292 205 I C -0.605 175.506 176.117 -0.010 0.000 1.001 205 I CA -0.748 60.547 61.300 -0.008 0.000 1.119 205 I CB 2.070 40.008 38.000 -0.103 0.000 1.289 205 I HN -0.129 nan 8.210 nan 0.000 0.438 206 S N 6.889 122.606 115.700 0.027 0.000 2.437 206 S HA 0.642 5.112 4.470 -0.000 0.000 0.305 206 S C -0.655 173.977 174.600 0.054 0.000 1.109 206 S CA -0.581 57.667 58.200 0.080 0.000 1.099 206 S CB 0.578 63.842 63.200 0.106 0.000 1.004 206 S HN 0.403 nan 8.310 nan 0.000 0.475 207 L N 6.742 128.021 121.223 0.093 0.000 2.309 207 L HA 0.550 4.889 4.340 -0.000 0.000 0.282 207 L C -1.796 175.100 176.870 0.043 0.000 1.036 207 L CA -2.190 52.693 54.840 0.071 0.000 0.806 207 L CB 1.698 43.820 42.059 0.105 0.000 1.220 207 L HN 0.525 nan 8.230 nan 0.000 0.429 208 P HA 0.108 nan 4.420 nan 0.000 0.275 208 P C 0.399 177.684 177.300 -0.025 0.000 1.266 208 P CA -0.368 62.752 63.100 0.033 0.000 0.793 208 P CB 0.757 32.482 31.700 0.042 0.000 1.074 209 T N 0.822 115.397 114.554 0.036 0.000 2.684 209 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 209 T C -0.923 173.781 174.700 0.007 0.000 1.036 209 T CA 2.452 64.569 62.100 0.027 0.000 1.148 209 T CB -1.709 67.302 68.868 0.239 0.000 0.863 209 T HN 0.511 nan 8.240 nan 0.000 0.436 210 P HA 0.081 nan 4.420 nan 0.000 0.217 210 P C 1.434 178.869 177.300 0.225 0.000 1.151 210 P CA 0.802 64.022 63.100 0.199 0.000 0.828 210 P CB -0.137 31.713 31.700 0.249 0.000 0.788 211 I N -1.645 118.963 120.570 0.063 0.000 2.163 211 I HA -0.224 3.945 4.170 -0.000 0.000 0.240 211 I C 2.406 178.477 176.117 -0.077 0.000 1.081 211 I CA 1.368 62.623 61.300 -0.076 0.000 1.353 211 I CB -0.648 37.292 38.000 -0.100 0.000 1.054 211 I HN -0.094 nan 8.210 nan 0.000 0.407 212 M N 0.697 120.185 119.600 -0.186 0.000 2.108 212 M HA -0.217 4.263 4.480 -0.000 0.000 0.257 212 M C 2.522 178.690 176.300 -0.220 0.000 1.071 212 M CA 2.395 57.478 55.300 -0.361 0.000 1.093 212 M CB -1.154 30.799 32.600 -1.077 0.000 1.345 212 M HN 0.421 nan 8.290 nan 0.000 0.403 213 S N -1.968 113.673 115.700 -0.097 0.000 2.492 213 S HA 0.148 4.618 4.470 -0.000 0.000 0.218 213 S C 1.846 176.557 174.600 0.185 0.000 1.016 213 S CA 0.537 58.797 58.200 0.101 0.000 0.916 213 S CB -0.164 63.150 63.200 0.189 0.000 0.791 213 S HN 0.466 nan 8.310 nan 0.000 0.513 214 G N 1.128 110.084 108.800 0.260 0.000 2.720 214 G HA2 0.286 4.245 3.960 -0.000 0.000 0.204 214 G HA3 0.286 4.245 3.960 -0.000 0.000 0.204 214 G C 0.201 175.383 174.900 0.471 0.000 1.113 214 G CA -0.011 45.364 45.100 0.458 0.000 0.805 214 G HN 0.365 nan 8.290 nan 0.000 0.536 215 V N 2.918 122.936 119.914 0.173 0.000 2.425 215 V HA 0.269 4.389 4.120 -0.000 0.000 0.276 215 V C 1.208 177.350 176.094 0.079 0.000 1.017 215 V CA 1.351 63.650 62.300 -0.001 0.000 1.062 215 V CB 0.018 31.660 31.823 -0.301 0.000 0.997 215 V HN 0.805 nan 8.190 nan 0.000 0.476 216 R N 2.579 123.172 120.500 0.155 0.000 1.968 216 R HA -0.120 4.220 4.340 -0.000 0.000 0.381 216 R C 0.348 176.738 176.300 0.149 0.000 0.231 216 R CA 0.770 56.891 56.100 0.036 0.000 1.420 216 R CB -1.624 28.576 30.300 -0.167 0.000 1.852 216 R HN 0.732 nan 8.270 nan 0.000 0.202 217 T N -1.363 113.352 114.554 0.267 0.000 2.897 217 T HA 0.611 4.960 4.350 -0.000 0.000 0.278 217 T C -1.999 172.845 174.700 0.239 0.000 0.981 217 T CA -1.303 60.961 62.100 0.273 0.000 0.973 217 T CB 1.963 70.983 68.868 0.252 0.000 1.092 217 T HN -0.067 nan 8.240 nan 0.000 0.543 218 P HA 0.123 nan 4.420 nan 0.000 0.237 218 P C 0.673 178.015 177.300 0.069 0.000 1.178 218 P CA 0.348 63.518 63.100 0.118 0.000 0.766 218 P CB -0.149 31.594 31.700 0.072 0.000 0.876 219 T N 0.040 114.631 114.554 0.061 0.000 2.813 219 T HA 0.185 4.535 4.350 -0.000 0.000 0.297 219 T C 0.947 175.545 174.700 -0.170 0.000 1.036 219 T CA -0.172 61.883 62.100 -0.076 0.000 1.044 219 T CB 0.282 69.072 68.868 -0.130 0.000 0.993 219 T HN -0.155 nan 8.240 nan 0.000 0.535 220 R N 1.495 121.757 120.500 -0.396 0.000 2.569 220 R HA 0.176 4.515 4.340 -0.000 0.000 0.422 220 R C -0.320 175.502 176.300 -0.797 0.000 0.980 220 R CA -0.093 55.709 56.100 -0.496 0.000 1.164 220 R CB 0.425 30.565 30.300 -0.266 0.000 1.520 220 R HN 0.672 nan 8.270 nan 0.000 0.567 221 Q N 0.467 119.712 119.800 -0.925 0.000 2.406 221 Q HA 0.273 4.613 4.340 -0.000 0.000 0.242 221 Q C -0.315 175.239 176.000 -0.743 0.000 1.036 221 Q CA 0.054 55.487 55.803 -0.617 0.000 0.904 221 Q CB 0.416 28.956 28.738 -0.331 0.000 1.244 221 Q HN 0.026 nan 8.270 nan 0.000 0.478 222 F N -1.017 118.931 119.950 -0.003 0.000 2.817 222 F HA 0.158 4.685 4.527 -0.000 0.000 0.333 222 F C 0.581 176.392 175.800 0.018 0.000 1.085 222 F CA -0.452 57.559 58.000 0.017 0.000 1.170 222 F CB 0.919 39.936 39.000 0.028 0.000 1.066 222 F HN 0.157 nan 8.300 nan 0.000 0.564 223 S N 0.851 116.629 115.700 0.131 0.000 2.465 223 S HA 0.149 4.619 4.470 -0.000 0.000 0.280 223 S C 1.259 175.904 174.600 0.074 0.000 1.232 223 S CA 0.259 58.520 58.200 0.101 0.000 1.066 223 S CB 0.749 64.019 63.200 0.117 0.000 0.929 223 S HN 0.368 nan 8.310 nan 0.000 0.494 224 S N 1.057 116.787 115.700 0.051 0.000 2.511 224 S HA 0.136 4.605 4.470 -0.000 0.000 0.214 224 S C 0.581 175.181 174.600 0.001 0.000 0.997 224 S CA -0.194 58.032 58.200 0.043 0.000 0.908 224 S CB -0.343 62.895 63.200 0.063 0.000 0.803 224 S HN 0.876 nan 8.310 nan 0.000 0.504 225 C N 0.690 119.966 119.300 -0.040 0.000 2.701 225 C HA 0.903 5.363 4.460 -0.000 0.000 0.336 225 C C -0.640 174.262 174.990 -0.146 0.000 1.123 225 C CA -0.800 58.176 59.018 -0.070 0.000 1.326 225 C CB 0.793 28.516 27.740 -0.028 0.000 1.833 225 C HN 0.593 nan 8.230 nan 0.000 0.473 226 V N 2.689 122.481 119.914 -0.204 0.000 2.735 226 V HA 0.889 5.009 4.120 -0.000 0.000 0.310 226 V C -1.278 174.719 176.094 -0.160 0.000 1.061 226 V CA -0.609 61.523 62.300 -0.280 0.000 0.913 226 V CB 1.674 33.121 31.823 -0.626 0.000 1.005 226 V HN 0.865 nan 8.190 nan 0.000 0.428 227 L N 6.412 127.556 121.223 -0.133 0.000 2.319 227 L HA 0.647 4.987 4.340 -0.000 0.000 0.281 227 L C -0.284 176.530 176.870 -0.093 0.000 1.005 227 L CA -0.030 54.749 54.840 -0.103 0.000 0.828 227 L CB 1.374 43.365 42.059 -0.114 0.000 1.227 227 L HN 0.620 nan 8.230 nan 0.000 0.415 228 I N 2.109 122.628 120.570 -0.085 0.000 2.404 228 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 228 I C -0.082 175.989 176.117 -0.076 0.000 0.992 228 I CA -0.587 60.668 61.300 -0.076 0.000 1.149 228 I CB 1.985 39.933 38.000 -0.086 0.000 1.315 228 I HN 0.576 nan 8.210 nan 0.000 0.446 229 E N 5.334 125.501 120.200 -0.054 0.000 2.151 229 E HA 0.320 4.670 4.350 -0.000 0.000 0.275 229 E C -1.505 175.089 176.600 -0.011 0.000 0.936 229 E CA -0.623 55.759 56.400 -0.031 0.000 0.777 229 E CB 1.781 31.462 29.700 -0.031 0.000 1.108 229 E HN 0.718 nan 8.360 nan 0.000 0.401 230 C N 4.484 123.791 119.300 0.011 0.000 2.369 230 C HA 0.742 5.202 4.460 -0.000 0.000 0.358 230 C C 0.780 175.815 174.990 0.074 0.000 1.274 230 C CA -0.172 58.880 59.018 0.056 0.000 1.935 230 C CB -0.611 27.198 27.740 0.115 0.000 2.431 230 C HN 0.839 nan 8.230 nan 0.000 0.545 231 G N 3.263 112.103 108.800 0.067 0.000 2.504 231 G HA2 0.315 4.275 3.960 -0.000 0.000 0.288 231 G HA3 0.315 4.275 3.960 -0.000 0.000 0.288 231 G C -0.328 174.616 174.900 0.074 0.000 1.182 231 G CA -0.140 44.986 45.100 0.043 0.000 0.894 231 G HN 0.796 nan 8.290 nan 0.000 0.521 232 D N -0.364 120.053 120.400 0.028 0.000 2.801 232 D HA 0.315 4.954 4.640 -0.000 0.000 0.232 232 D C 0.328 176.608 176.300 -0.034 0.000 1.128 232 D CA -0.004 54.010 54.000 0.022 0.000 1.003 232 D CB -0.512 40.229 40.800 -0.099 0.000 1.110 232 D HN 0.449 nan 8.370 nan 0.000 0.477 233 S N -0.362 115.474 115.700 0.227 0.000 2.547 233 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 233 S C 0.862 175.640 174.600 0.296 0.000 1.150 233 S CA -0.918 57.441 58.200 0.266 0.000 0.850 233 S CB 0.775 64.027 63.200 0.086 0.000 1.118 233 S HN 0.077 nan 8.310 nan 0.000 0.461 234 L N 0.766 122.162 121.223 0.287 0.000 2.083 234 L HA -0.060 4.279 4.340 -0.000 0.000 0.209 234 L C 1.830 178.744 176.870 0.074 0.000 1.083 234 L CA 1.390 56.274 54.840 0.073 0.000 0.752 234 L CB -0.659 41.453 42.059 0.090 0.000 0.899 234 L HN 0.701 nan 8.230 nan 0.000 0.433 235 D N -0.592 119.865 120.400 0.094 0.000 2.123 235 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 235 D C 2.398 178.748 176.300 0.084 0.000 0.992 235 D CA 1.454 55.502 54.000 0.079 0.000 0.833 235 D CB -0.016 40.825 40.800 0.068 0.000 0.954 235 D HN 0.067 nan 8.370 nan 0.000 0.455 236 S N -0.654 115.099 115.700 0.089 0.000 2.387 236 S HA -0.007 4.463 4.470 -0.000 0.000 0.226 236 S C 2.079 176.757 174.600 0.130 0.000 1.026 236 S CA 0.239 58.495 58.200 0.093 0.000 0.972 236 S CB -0.146 63.105 63.200 0.084 0.000 0.814 236 S HN 0.160 nan 8.310 nan 0.000 0.477 237 I N 2.002 122.647 120.570 0.124 0.000 2.208 237 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 237 I C 2.205 178.490 176.117 0.280 0.000 1.097 237 I CA 1.049 62.463 61.300 0.191 0.000 1.363 237 I CB -0.405 37.517 38.000 -0.130 0.000 1.051 237 I HN 0.297 nan 8.210 nan 0.000 0.413 238 N N 1.056 119.865 118.700 0.181 0.000 2.106 238 N HA -0.117 4.622 4.740 -0.000 0.000 0.188 238 N C 1.935 177.545 175.510 0.168 0.000 1.029 238 N CA 1.629 54.794 53.050 0.192 0.000 0.848 238 N CB -0.499 38.068 38.487 0.133 0.000 1.007 238 N HN 0.337 nan 8.380 nan 0.000 0.423 239 A N 0.605 123.502 122.820 0.127 0.000 1.892 239 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 239 A C 2.378 180.020 177.584 0.096 0.000 1.188 239 A CA 2.325 54.420 52.037 0.097 0.000 0.631 239 A CB -1.260 17.786 19.000 0.077 0.000 0.822 239 A HN 0.352 nan 8.150 nan 0.000 0.447 240 T N -0.582 114.035 114.554 0.106 0.000 2.684 240 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 240 T C 2.282 177.015 174.700 0.054 0.000 1.036 240 T CA 1.827 63.945 62.100 0.031 0.000 1.148 240 T CB -0.451 68.385 68.868 -0.053 0.000 0.863 240 T HN 0.549 nan 8.240 nan 0.000 0.436 241 S N 0.567 116.395 115.700 0.212 0.000 2.356 241 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 241 S C 2.404 177.067 174.600 0.105 0.000 1.032 241 S CA 1.698 60.021 58.200 0.205 0.000 1.005 241 S CB -0.563 62.797 63.200 0.267 0.000 0.867 241 S HN 0.431 nan 8.310 nan 0.000 0.449 242 S N 1.286 117.050 115.700 0.107 0.000 2.359 242 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 242 S C 2.227 176.861 174.600 0.057 0.000 1.035 242 S CA 1.159 59.402 58.200 0.073 0.000 1.018 242 S CB -0.758 62.484 63.200 0.070 0.000 0.876 242 S HN 0.711 nan 8.310 nan 0.000 0.448 243 A N 1.361 124.223 122.820 0.070 0.000 1.908 243 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 243 A C 2.066 179.733 177.584 0.137 0.000 1.181 243 A CA 1.388 53.486 52.037 0.102 0.000 0.627 243 A CB -0.775 18.297 19.000 0.119 0.000 0.818 243 A HN 0.497 nan 8.150 nan 0.000 0.445 244 I N -0.518 120.102 120.570 0.083 0.000 2.163 244 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 244 I C 2.377 178.540 176.117 0.078 0.000 1.085 244 I CA 1.334 62.678 61.300 0.073 0.000 1.347 244 I CB -0.382 37.626 38.000 0.014 0.000 1.044 244 I HN 0.169 nan 8.210 nan 0.000 0.408 245 V N 0.711 120.655 119.914 0.050 0.000 2.287 245 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 245 V C 2.560 178.666 176.094 0.020 0.000 1.053 245 V CA 1.695 64.014 62.300 0.032 0.000 1.027 245 V CB -0.716 31.121 31.823 0.022 0.000 0.646 245 V HN 0.348 nan 8.190 nan 0.000 0.447 246 K N -0.824 119.575 120.400 -0.002 0.000 2.009 246 K HA -0.181 4.138 4.320 -0.000 0.000 0.210 246 K C 2.130 178.661 176.600 -0.115 0.000 1.049 246 K CA 1.918 58.152 56.287 -0.089 0.000 0.929 246 K CB -0.528 31.874 32.500 -0.164 0.000 0.714 246 K HN 0.515 nan 8.250 nan 0.000 0.440 247 Y N 0.824 121.123 120.300 -0.002 0.000 2.220 247 Y HA -0.164 4.385 4.550 -0.001 0.000 0.291 247 Y C 2.298 178.196 175.900 -0.003 0.000 1.129 247 Y CA 0.976 59.073 58.100 -0.004 0.000 1.161 247 Y CB -0.646 37.815 38.460 0.001 0.000 0.997 247 Y HN -0.082 nan 8.280 nan 0.000 0.522 248 V N -1.599 118.409 119.914 0.155 0.000 2.594 248 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 248 V C 2.049 178.178 176.094 0.058 0.000 1.069 248 V CA 1.951 64.305 62.300 0.091 0.000 1.082 248 V CB -1.325 30.535 31.823 0.062 0.000 0.680 248 V HN 0.465 nan 8.190 nan 0.000 0.469 249 S N 0.122 115.843 115.700 0.036 0.000 2.481 249 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 249 S C 1.678 176.281 174.600 0.006 0.000 0.996 249 S CA 1.146 59.352 58.200 0.010 0.000 0.942 249 S CB -0.555 62.638 63.200 -0.012 0.000 0.768 249 S HN 0.793 nan 8.310 nan 0.000 0.520 250 Q N 0.379 120.193 119.800 0.023 0.000 2.189 250 Q HA 0.367 4.707 4.340 -0.000 0.000 0.221 250 Q C -0.319 175.719 176.000 0.063 0.000 0.848 250 Q CA -0.401 55.416 55.803 0.023 0.000 1.007 250 Q CB 0.222 28.965 28.738 0.007 0.000 1.116 250 Q HN 0.374 nan 8.270 nan 0.000 0.481 251 R N -0.889 119.650 120.500 0.065 0.000 3.770 251 R HA -0.183 4.156 4.340 -0.000 0.000 0.305 251 R C -0.351 175.994 176.300 0.076 0.000 1.184 251 R CA 0.663 56.802 56.100 0.066 0.000 0.823 251 R CB -2.100 28.233 30.300 0.056 0.000 1.285 251 R HN 0.320 nan 8.270 nan 0.000 0.499 252 A N 0.504 123.381 122.820 0.096 0.000 2.322 252 A HA 0.611 4.931 4.320 -0.000 0.000 0.269 252 A C 0.893 178.501 177.584 0.040 0.000 1.094 252 A CA 0.393 52.467 52.037 0.063 0.000 0.807 252 A CB 0.740 19.764 19.000 0.040 0.000 1.047 252 A HN 0.302 nan 8.150 nan 0.000 0.487 253 G N 0.574 109.386 108.800 0.021 0.000 2.395 253 G HA2 0.524 4.484 3.960 -0.000 0.000 0.283 253 G HA3 0.524 4.484 3.960 -0.000 0.000 0.283 253 G C -0.291 174.606 174.900 -0.005 0.000 1.178 253 G CA -0.427 44.685 45.100 0.021 0.000 0.837 253 G HN 0.541 nan 8.290 nan 0.000 0.518 254 I N 1.059 121.631 120.570 0.002 0.000 2.493 254 I HA 0.517 4.687 4.170 -0.000 0.000 0.298 254 I C 0.613 176.744 176.117 0.023 0.000 0.998 254 I CA -0.752 60.539 61.300 -0.015 0.000 1.137 254 I CB 1.444 39.429 38.000 -0.026 0.000 1.310 254 I HN 0.528 nan 8.210 nan 0.000 0.445 255 G N 6.115 114.940 108.800 0.043 0.000 2.478 255 G HA2 0.735 4.695 3.960 -0.000 0.000 0.317 255 G HA3 0.735 4.695 3.960 -0.000 0.000 0.317 255 G C -0.850 174.118 174.900 0.113 0.000 1.259 255 G CA -0.368 44.841 45.100 0.182 0.000 0.933 255 G HN 0.471 nan 8.290 nan 0.000 0.478 256 I N 2.148 122.815 120.570 0.162 0.000 2.418 256 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 256 I C -0.643 175.581 176.117 0.177 0.000 1.008 256 I CA -1.034 60.279 61.300 0.021 0.000 1.104 256 I CB 2.153 40.044 38.000 -0.180 0.000 1.264 256 I HN 0.320 nan 8.210 nan 0.000 0.438 257 N N 5.377 124.140 118.700 0.106 0.000 2.426 257 N HA 0.511 5.250 4.740 -0.000 0.000 0.257 257 N C -0.133 175.476 175.510 0.164 0.000 1.002 257 N CA -0.223 52.936 53.050 0.182 0.000 0.942 257 N CB 1.674 40.213 38.487 0.087 0.000 1.112 257 N HN 0.756 nan 8.380 nan 0.000 0.499 258 A N 2.236 125.206 122.820 0.250 0.000 2.624 258 A HA 0.356 4.676 4.320 -0.000 0.000 0.287 258 A C 1.344 179.163 177.584 0.393 0.000 1.087 258 A CA -0.005 52.218 52.037 0.310 0.000 0.964 258 A CB -0.204 18.989 19.000 0.321 0.000 1.231 258 A HN 0.622 nan 8.150 nan 0.000 0.551 259 G N -0.038 109.006 108.800 0.406 0.000 2.598 259 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 259 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 259 G C 1.393 176.506 174.900 0.355 0.000 1.131 259 G CA 0.471 45.841 45.100 0.451 0.000 0.785 259 G HN 0.481 nan 8.290 nan 0.000 0.539 260 R N -0.481 120.099 120.500 0.133 0.000 2.236 260 R HA 0.221 4.561 4.340 -0.000 0.000 0.208 260 R C 0.670 177.033 176.300 0.105 0.000 1.036 260 R CA -0.157 55.884 56.100 -0.099 0.000 1.001 260 R CB -0.062 30.104 30.300 -0.224 0.000 0.896 260 R HN 0.310 nan 8.270 nan 0.000 0.464 261 I N 3.313 124.036 120.570 0.255 0.000 2.598 261 I HA -0.053 4.117 4.170 -0.000 0.000 0.284 261 I C 0.654 176.990 176.117 0.366 0.000 1.140 261 I CA 0.007 61.502 61.300 0.325 0.000 1.420 261 I CB 0.402 38.622 38.000 0.367 0.000 1.387 261 I HN 0.195 nan 8.210 nan 0.000 0.553 262 R N 6.217 126.885 120.500 0.280 0.000 2.643 262 R HA 0.511 4.851 4.340 -0.000 0.000 0.270 262 R C -0.113 176.334 176.300 0.244 0.000 1.061 262 R CA -0.639 55.572 56.100 0.183 0.000 1.107 262 R CB 0.488 30.816 30.300 0.047 0.000 0.999 262 R HN 0.617 nan 8.270 nan 0.000 0.460 263 A N 3.460 126.364 122.820 0.140 0.000 2.386 263 A HA 0.182 4.502 4.320 -0.000 0.000 0.246 263 A C 0.081 177.722 177.584 0.096 0.000 1.089 263 A CA -0.707 51.416 52.037 0.143 0.000 0.790 263 A CB 0.231 19.254 19.000 0.037 0.000 1.042 263 A HN 0.775 nan 8.150 nan 0.000 0.497 264 L N 1.276 122.539 121.223 0.067 0.000 2.578 264 L HA 0.380 4.720 4.340 -0.000 0.000 0.279 264 L C 1.308 178.184 176.870 0.011 0.000 1.227 264 L CA 2.229 57.090 54.840 0.035 0.000 0.900 264 L CB -0.006 42.054 42.059 0.002 0.000 1.144 264 L HN 1.690 nan 8.230 nan 0.000 0.496 265 G N 2.143 110.944 108.800 0.002 0.000 2.217 265 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 265 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 265 G C 0.496 175.309 174.900 -0.146 0.000 0.990 265 G CA 0.177 45.255 45.100 -0.037 0.000 0.627 265 G HN 0.884 nan 8.290 nan 0.000 0.522 266 S N 3.063 118.681 115.700 -0.136 0.000 2.558 266 S HA 0.435 4.904 4.470 -0.000 0.000 0.288 266 S C -1.036 173.344 174.600 -0.367 0.000 1.318 266 S CA -0.176 57.923 58.200 -0.170 0.000 1.056 266 S CB 0.840 63.996 63.200 -0.074 0.000 0.853 266 S HN 0.417 nan 8.310 nan 0.000 0.505 275 H N 0.031 119.229 119.070 0.213 0.000 2.387 275 H HA -0.114 4.441 4.556 -0.001 0.000 0.299 275 H C 2.015 177.380 175.328 0.063 0.000 1.099 275 H CA 2.228 58.342 56.048 0.110 0.000 1.315 275 H CB 0.045 29.845 29.762 0.063 0.000 1.380 275 H HN 0.341 nan 8.280 nan 0.000 0.513 276 T N -2.177 112.465 114.554 0.147 0.000 3.088 276 T HA 0.328 4.678 4.350 -0.000 0.000 0.259 276 T C 1.132 175.806 174.700 -0.043 0.000 1.122 276 T CA 0.482 62.586 62.100 0.006 0.000 1.095 276 T CB 0.460 69.271 68.868 -0.094 0.000 0.930 276 T HN 0.627 nan 8.240 nan 0.000 0.508 277 G N -0.471 108.349 108.800 0.035 0.000 2.483 277 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.521 277 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.521 277 G C 0.617 175.543 174.900 0.044 0.000 1.278 277 G CA -0.520 44.602 45.100 0.038 0.000 0.965 277 G HN 0.263 nan 8.290 nan 0.000 0.504 278 C N -0.260 119.010 119.300 -0.050 0.000 2.486 278 C HA 0.134 4.593 4.460 -0.000 0.000 0.279 278 C C 3.043 177.813 174.990 -0.366 0.000 1.302 278 C CA 1.460 60.371 59.018 -0.179 0.000 1.720 278 C CB -1.547 25.871 27.740 -0.538 0.000 2.030 278 C HN 0.516 nan 8.230 nan 0.000 0.490 279 I N 1.645 121.968 120.570 -0.412 0.000 2.163 279 I HA -0.147 4.023 4.170 -0.000 0.000 0.243 279 I C -0.615 175.396 176.117 -0.177 0.000 1.085 279 I CA 1.684 62.788 61.300 -0.327 0.000 1.347 279 I CB -1.619 36.231 38.000 -0.251 0.000 1.044 279 I HN 0.235 nan 8.210 nan 0.000 0.408 280 P HA -0.126 nan 4.420 nan 0.000 0.220 280 P C 1.482 178.571 177.300 -0.352 0.000 1.148 280 P CA 1.406 64.303 63.100 -0.338 0.000 0.803 280 P CB -0.066 31.330 31.700 -0.507 0.000 0.782 281 F N -2.241 117.620 119.950 -0.148 0.000 2.163 281 F HA -0.139 4.388 4.527 0.000 0.000 0.297 281 F C 2.277 177.935 175.800 -0.237 0.000 1.094 281 F CA 1.042 58.894 58.000 -0.248 0.000 1.290 281 F CB -1.711 37.129 39.000 -0.267 0.000 1.017 281 F HN -0.113 nan 8.300 nan 0.000 0.483 282 Y N 0.743 121.025 120.300 -0.030 0.000 2.151 282 Y HA -0.247 4.302 4.550 -0.001 0.000 0.284 282 Y C 2.377 178.336 175.900 0.099 0.000 1.166 282 Y CA 0.971 59.134 58.100 0.105 0.000 1.163 282 Y CB -1.242 37.326 38.460 0.179 0.000 0.974 282 Y HN 0.060 nan 8.280 nan 0.000 0.511 283 K N -1.281 119.244 120.400 0.209 0.000 2.147 283 K HA -0.222 4.097 4.320 -0.000 0.000 0.205 283 K C 1.986 178.680 176.600 0.157 0.000 1.049 283 K CA 1.496 57.875 56.287 0.154 0.000 0.936 283 K CB -0.243 32.303 32.500 0.077 0.000 0.722 283 K HN 0.305 nan 8.250 nan 0.000 0.446 284 H N -0.614 118.453 119.070 -0.005 0.000 2.395 284 H HA -0.048 4.508 4.556 -0.001 0.000 0.299 284 H C 1.399 176.797 175.328 0.117 0.000 1.070 284 H CA 1.457 57.504 56.048 -0.002 0.000 1.356 284 H CB 0.030 29.750 29.762 -0.072 0.000 1.401 284 H HN 0.054 nan 8.280 nan 0.000 0.524 285 F N 0.819 120.833 119.950 0.108 0.000 2.171 285 F HA -0.134 4.393 4.527 -0.001 0.000 0.300 285 F C 2.765 178.560 175.800 -0.008 0.000 1.090 285 F CA 1.426 59.432 58.000 0.010 0.000 1.293 285 F CB -1.078 37.948 39.000 0.043 0.000 1.013 285 F HN 0.349 nan 8.300 nan 0.000 0.486 286 Q N 0.544 120.476 119.800 0.221 0.000 2.050 286 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 286 Q C 2.106 178.163 176.000 0.095 0.000 0.980 286 Q CA 2.879 58.770 55.803 0.147 0.000 0.840 286 Q CB -0.316 28.521 28.738 0.166 0.000 0.898 286 Q HN 0.475 nan 8.270 nan 0.000 0.424 287 T N -1.902 112.696 114.554 0.073 0.000 2.915 287 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 287 T C 1.828 176.531 174.700 0.005 0.000 1.071 287 T CA 0.904 63.027 62.100 0.039 0.000 1.132 287 T CB -0.411 68.487 68.868 0.050 0.000 0.878 287 T HN 0.395 nan 8.240 nan 0.000 0.479 288 A N 1.321 124.127 122.820 -0.023 0.000 1.873 288 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 288 A C 2.621 180.218 177.584 0.022 0.000 1.186 288 A CA 1.504 53.530 52.037 -0.018 0.000 0.616 288 A CB -1.116 17.880 19.000 -0.007 0.000 0.823 288 A HN 0.390 nan 8.150 nan 0.000 0.442 289 V N -0.239 119.700 119.914 0.042 0.000 2.407 289 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 289 V C 2.242 178.356 176.094 0.034 0.000 1.055 289 V CA 2.324 64.647 62.300 0.039 0.000 1.049 289 V CB -0.517 31.331 31.823 0.042 0.000 0.662 289 V HN 0.435 nan 8.190 nan 0.000 0.455 290 K N 0.562 120.981 120.400 0.032 0.000 2.444 290 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 290 K C 2.033 178.640 176.600 0.013 0.000 1.024 290 K CA 0.685 56.983 56.287 0.018 0.000 1.077 290 K CB -0.233 32.273 32.500 0.011 0.000 0.833 290 K HN 0.642 nan 8.250 nan 0.000 0.517 291 S N -1.317 114.393 115.700 0.016 0.000 2.447 291 S HA -0.127 4.342 4.470 -0.000 0.000 0.233 291 S C 1.262 175.869 174.600 0.012 0.000 1.006 291 S CA 0.642 58.850 58.200 0.014 0.000 0.957 291 S CB -0.312 62.896 63.200 0.014 0.000 0.773 291 S HN 0.253 nan 8.310 nan 0.000 0.507 292 C N 2.461 121.770 119.300 0.014 0.000 2.557 292 C HA 0.582 5.042 4.460 -0.000 0.000 0.281 292 C C 0.323 175.320 174.990 0.011 0.000 1.490 292 C CA -0.946 58.079 59.018 0.012 0.000 1.771 292 C CB -1.475 26.273 27.740 0.014 0.000 2.887 292 C HN 0.388 nan 8.230 nan 0.000 0.527 293 S N 0.635 116.339 115.700 0.007 0.000 2.498 293 S HA 0.305 4.775 4.470 -0.000 0.000 0.317 293 S C 0.595 175.194 174.600 -0.003 0.000 1.090 293 S CA -0.394 57.808 58.200 0.003 0.000 1.089 293 S CB 1.657 64.856 63.200 -0.001 0.000 0.997 293 S HN 0.678 nan 8.310 nan 0.000 0.470 294 Q N 2.869 122.669 119.800 0.000 0.000 2.623 294 Q HA -0.342 3.997 4.340 -0.000 0.000 0.279 294 Q C 1.479 177.475 176.000 -0.006 0.000 0.969 294 Q CA 2.532 58.334 55.803 -0.002 0.000 1.009 294 Q CB -0.867 27.869 28.738 -0.002 0.000 0.958 294 Q HN 0.933 nan 8.270 nan 0.000 0.650 295 G N -2.404 106.388 108.800 -0.013 0.000 3.277 295 G HA2 0.419 4.379 3.960 -0.000 0.000 0.243 295 G HA3 0.419 4.379 3.960 -0.000 0.000 0.243 295 G C 0.571 175.454 174.900 -0.029 0.000 1.107 295 G CA 0.546 45.636 45.100 -0.017 0.000 0.771 295 G HN 1.031 nan 8.290 nan 0.000 0.544 296 G N -0.947 107.833 108.800 -0.034 0.000 2.138 296 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.193 296 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.193 296 G C 0.779 175.618 174.900 -0.101 0.000 0.998 296 G CA 0.552 45.621 45.100 -0.051 0.000 0.668 296 G HN 1.334 nan 8.290 nan 0.000 0.516 297 V N -4.124 115.736 119.914 -0.091 0.000 3.177 297 V HA 0.514 4.634 4.120 -0.000 0.000 0.219 297 V C 1.004 177.073 176.094 -0.041 0.000 1.344 297 V CA 0.442 62.671 62.300 -0.119 0.000 1.324 297 V CB -0.152 31.577 31.823 -0.156 0.000 1.165 297 V HN 0.191 nan 8.190 nan 0.000 0.510 298 R N 2.474 122.962 120.500 -0.021 0.000 2.248 298 R HA 0.581 4.920 4.340 -0.000 0.000 0.337 298 R C 0.392 176.699 176.300 0.012 0.000 1.085 298 R CA 0.839 56.941 56.100 0.004 0.000 0.934 298 R CB 0.187 30.490 30.300 0.005 0.000 1.034 298 R HN 0.993 nan 8.270 nan 0.000 0.465 299 G N 0.947 109.761 108.800 0.024 0.000 2.539 299 G HA2 0.239 4.199 3.960 -0.000 0.000 0.686 299 G HA3 0.239 4.199 3.960 -0.000 0.000 0.686 299 G C -0.167 174.752 174.900 0.032 0.000 1.258 299 G CA -0.617 44.501 45.100 0.031 0.000 0.846 299 G HN 0.873 nan 8.290 nan 0.000 0.647 300 G N -1.158 107.665 108.800 0.040 0.000 3.414 300 G HA2 0.527 4.487 3.960 -0.000 0.000 0.504 300 G HA3 0.527 4.487 3.960 -0.000 0.000 0.504 300 G C 0.246 175.173 174.900 0.045 0.000 0.936 300 G CA 0.949 46.073 45.100 0.040 0.000 0.748 300 G HN 2.714 nan 8.290 nan 0.000 0.408 301 A N 1.590 124.438 122.820 0.046 0.000 2.449 301 A HA 1.192 5.512 4.320 -0.000 0.000 0.302 301 A C 0.164 177.766 177.584 0.031 0.000 1.048 301 A CA 0.195 52.261 52.037 0.049 0.000 0.708 301 A CB 1.902 20.942 19.000 0.067 0.000 1.274 301 A HN 2.697 nan 8.150 nan 0.000 0.410 302 A N 0.677 123.503 122.820 0.010 0.000 2.572 302 A HA 0.884 5.203 4.320 -0.000 0.000 0.295 302 A C -0.595 176.941 177.584 -0.081 0.000 1.072 302 A CA -0.464 51.559 52.037 -0.024 0.000 0.691 302 A CB 1.451 20.426 19.000 -0.042 0.000 1.291 302 A HN 0.966 nan 8.150 nan 0.000 0.404 303 T N 1.512 116.008 114.554 -0.096 0.000 2.848 303 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 303 T C -0.908 173.574 174.700 -0.363 0.000 0.995 303 T CA -0.188 61.761 62.100 -0.252 0.000 0.970 303 T CB 1.037 69.821 68.868 -0.140 0.000 0.976 303 T HN 0.667 nan 8.240 nan 0.000 0.441 304 L N 3.777 124.676 121.223 -0.540 0.000 2.322 304 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 304 L C -1.563 175.093 176.870 -0.355 0.000 1.014 304 L CA -0.802 53.843 54.840 -0.325 0.000 0.815 304 L CB 0.693 42.583 42.059 -0.281 0.000 1.247 304 L HN 0.526 nan 8.230 nan 0.000 0.421 305 F N 4.787 124.761 119.950 0.040 0.000 2.436 305 F HA 0.562 5.089 4.527 0.001 0.000 0.340 305 F C -0.435 175.461 175.800 0.158 0.000 1.113 305 F CA -0.457 57.562 58.000 0.030 0.000 1.022 305 F CB 1.306 40.339 39.000 0.055 0.000 1.128 305 F HN 0.368 nan 8.300 nan 0.000 0.466 306 Y N 0.918 121.411 120.300 0.320 0.000 2.588 306 Y HA 0.809 5.359 4.550 -0.001 0.000 0.343 306 Y C -3.411 172.587 175.900 0.163 0.000 1.065 306 Y CA -3.976 54.269 58.100 0.241 0.000 1.038 306 Y CB 0.847 39.389 38.460 0.136 0.000 1.297 306 Y HN 0.226 nan 8.280 nan 0.000 0.467 307 P HA 0.196 nan 4.420 nan 0.000 0.277 307 P C 0.663 177.856 177.300 -0.178 0.000 1.240 307 P CA -0.526 62.479 63.100 -0.157 0.000 0.798 307 P CB 1.156 32.249 31.700 -1.010 0.000 0.979 308 M N 2.774 122.279 119.600 -0.157 0.000 2.149 308 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 308 M C 0.931 177.227 176.300 -0.006 0.000 1.064 308 M CA 1.860 57.128 55.300 -0.053 0.000 1.102 308 M CB -0.314 32.237 32.600 -0.082 0.000 1.369 308 M HN 0.447 nan 8.290 nan 0.000 0.408 309 W N -0.660 120.661 121.300 0.035 0.000 3.180 309 W HA 0.106 4.766 4.660 0.000 0.000 0.254 309 W C 0.221 176.814 176.519 0.124 0.000 1.318 309 W CA -0.370 57.019 57.345 0.073 0.000 1.608 309 W CB -1.734 27.805 29.460 0.133 0.000 1.124 309 W HN 0.152 nan 8.180 nan 0.000 0.694 310 H N 2.501 121.487 119.070 -0.140 0.000 3.094 310 H HA -0.099 4.457 4.556 -0.000 0.000 0.320 310 H C 1.244 176.595 175.328 0.039 0.000 1.000 310 H CA 0.751 56.771 56.048 -0.047 0.000 1.413 310 H CB 1.521 31.220 29.762 -0.104 0.000 1.405 310 H HN 0.067 nan 8.280 nan 0.000 0.586 311 L N 4.865 126.065 121.223 -0.037 0.000 2.129 311 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 311 L C 1.694 178.607 176.870 0.073 0.000 1.087 311 L CA 1.871 56.721 54.840 0.018 0.000 0.757 311 L CB -0.278 41.761 42.059 -0.034 0.000 0.896 311 L HN 0.708 nan 8.230 nan 0.000 0.434 312 E N -1.558 118.770 120.200 0.214 0.000 2.479 312 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 312 E C 2.124 178.677 176.600 -0.078 0.000 1.049 312 E CA 0.386 56.816 56.400 0.050 0.000 0.870 312 E CB 0.136 29.839 29.700 0.005 0.000 0.944 312 E HN 0.385 nan 8.360 nan 0.000 0.492 313 V N 1.609 121.500 119.914 -0.039 0.000 2.363 313 V HA -0.356 3.763 4.120 -0.000 0.000 0.254 313 V C 1.853 177.883 176.094 -0.106 0.000 1.074 313 V CA 2.147 64.384 62.300 -0.104 0.000 1.069 313 V CB -0.121 31.715 31.823 0.021 0.000 0.659 313 V HN 0.281 nan 8.190 nan 0.000 0.455 314 E N -0.731 119.425 120.200 -0.073 0.000 2.150 314 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 314 E C 2.344 178.885 176.600 -0.099 0.000 0.985 314 E CA 1.402 57.761 56.400 -0.068 0.000 0.814 314 E CB -0.112 29.560 29.700 -0.046 0.000 0.752 314 E HN 0.645 nan 8.360 nan 0.000 0.466 315 S N 0.645 116.269 115.700 -0.127 0.000 2.395 315 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 315 S C 1.969 176.440 174.600 -0.216 0.000 1.027 315 S CA 0.527 58.636 58.200 -0.151 0.000 0.965 315 S CB -0.051 63.059 63.200 -0.150 0.000 0.812 315 S HN 0.186 nan 8.310 nan 0.000 0.482 316 L N 0.904 121.942 121.223 -0.308 0.000 2.046 316 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 316 L C 2.052 178.717 176.870 -0.342 0.000 1.077 316 L CA 0.671 55.241 54.840 -0.449 0.000 0.747 316 L CB -0.641 40.901 42.059 -0.861 0.000 0.896 316 L HN 0.271 nan 8.230 nan 0.000 0.432 317 L N 0.010 121.122 121.223 -0.185 0.000 2.187 317 L HA -0.125 4.214 4.340 -0.000 0.000 0.213 317 L C 2.163 178.962 176.870 -0.118 0.000 1.100 317 L CA 1.547 56.334 54.840 -0.088 0.000 0.765 317 L CB -0.799 41.239 42.059 -0.035 0.000 0.904 317 L HN 0.275 nan 8.230 nan 0.000 0.437 318 V N -5.379 114.454 119.914 -0.134 0.000 3.542 318 V HA 0.124 4.243 4.120 -0.000 0.000 0.296 318 V C 1.900 177.927 176.094 -0.112 0.000 1.364 318 V CA 0.078 62.317 62.300 -0.101 0.000 1.118 318 V CB -0.426 31.352 31.823 -0.075 0.000 0.972 318 V HN 0.207 nan 8.190 nan 0.000 0.430 319 L N -0.116 121.001 121.223 -0.177 0.000 2.127 319 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 319 L C 2.546 179.391 176.870 -0.042 0.000 1.089 319 L CA 1.739 56.499 54.840 -0.133 0.000 0.757 319 L CB -0.467 41.457 42.059 -0.225 0.000 0.899 319 L HN 0.311 nan 8.230 nan 0.000 0.434 320 K N -0.673 119.710 120.400 -0.027 0.000 2.426 320 K HA 0.024 4.343 4.320 -0.000 0.000 0.193 320 K C 0.628 177.211 176.600 -0.028 0.000 1.028 320 K CA -0.260 56.031 56.287 0.007 0.000 1.047 320 K CB -0.005 32.524 32.500 0.049 0.000 0.821 320 K HN 0.266 nan 8.250 nan 0.000 0.513 321 N N 1.553 120.232 118.700 -0.035 0.000 2.407 321 N HA -0.046 4.694 4.740 -0.000 0.000 0.250 321 N C 0.199 175.690 175.510 -0.032 0.000 1.236 321 N CA 0.368 53.399 53.050 -0.032 0.000 0.879 321 N CB 0.623 39.088 38.487 -0.035 0.000 1.088 321 N HN 0.183 nan 8.380 nan 0.000 0.450 322 N N 1.961 120.646 118.700 -0.025 0.000 2.081 322 N HA -0.089 4.650 4.740 -0.000 0.000 0.191 322 N C 0.063 175.563 175.510 -0.016 0.000 1.053 322 N CA 0.738 53.776 53.050 -0.019 0.000 0.846 322 N CB -0.008 38.471 38.487 -0.012 0.000 1.032 322 N HN 0.560 nan 8.380 nan 0.000 0.431 323 R N 0.959 121.450 120.500 -0.015 0.000 2.861 323 R HA 0.383 4.723 4.340 -0.000 0.000 0.268 323 R C 0.610 176.899 176.300 -0.019 0.000 1.027 323 R CA 0.278 56.369 56.100 -0.014 0.000 1.163 323 R CB -0.234 30.057 30.300 -0.014 0.000 1.060 323 R HN 0.306 nan 8.270 nan 0.000 0.483 324 G N -0.768 108.021 108.800 -0.018 0.000 2.663 324 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 324 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 324 G C -0.901 173.987 174.900 -0.019 0.000 1.288 324 G CA -0.468 44.619 45.100 -0.022 0.000 0.836 324 G HN 0.595 nan 8.290 nan 0.000 0.584 325 V N 1.240 121.140 119.914 -0.023 0.000 2.686 325 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 325 V C 1.773 177.856 176.094 -0.018 0.000 1.055 325 V CA 0.651 62.939 62.300 -0.020 0.000 1.050 325 V CB 1.378 33.187 31.823 -0.023 0.000 0.984 325 V HN 0.835 nan 8.190 nan 0.000 0.482 326 E N 4.259 124.452 120.200 -0.011 0.000 2.114 326 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 326 E C 1.948 178.544 176.600 -0.008 0.000 1.008 326 E CA 1.702 58.100 56.400 -0.003 0.000 0.810 326 E CB -0.588 29.114 29.700 0.004 0.000 0.739 326 E HN 0.928 nan 8.360 nan 0.000 0.456 327 G N 0.284 109.072 108.800 -0.020 0.000 2.679 327 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 327 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 327 G C 1.228 176.102 174.900 -0.044 0.000 1.137 327 G CA 0.211 45.292 45.100 -0.032 0.000 0.787 327 G HN 0.276 nan 8.290 nan 0.000 0.534 328 N N -0.589 118.086 118.700 -0.041 0.000 2.280 328 N HA 0.116 4.856 4.740 -0.000 0.000 0.192 328 N C 0.081 175.561 175.510 -0.050 0.000 1.109 328 N CA -0.250 52.767 53.050 -0.055 0.000 0.855 328 N CB 0.432 38.886 38.487 -0.055 0.000 0.974 328 N HN -0.034 nan 8.380 nan 0.000 0.482 329 R N 0.845 121.331 120.500 -0.025 0.000 2.670 329 R HA 0.436 4.776 4.340 -0.000 0.000 0.289 329 R C -1.076 175.244 176.300 0.033 0.000 0.965 329 R CA -0.603 55.491 56.100 -0.010 0.000 0.899 329 R CB 2.135 32.427 30.300 -0.014 0.000 1.173 329 R HN -0.239 nan 8.270 nan 0.000 0.456 330 V N 4.206 124.163 119.914 0.073 0.000 2.383 330 V HA 0.320 4.440 4.120 -0.000 0.000 0.264 330 V C 1.084 177.268 176.094 0.150 0.000 1.001 330 V CA -0.432 61.962 62.300 0.156 0.000 0.828 330 V CB 1.121 33.113 31.823 0.282 0.000 1.069 330 V HN 0.677 nan 8.190 nan 0.000 0.451 331 R N 0.374 120.869 120.500 -0.008 0.000 2.200 331 R HA 0.122 4.461 4.340 -0.000 0.000 0.208 331 R C 1.073 177.197 176.300 -0.292 0.000 1.033 331 R CA 0.613 56.599 56.100 -0.191 0.000 1.000 331 R CB 0.177 30.251 30.300 -0.377 0.000 0.906 331 R HN 0.695 nan 8.270 nan 0.000 0.462 332 H N -0.843 118.279 119.070 0.087 0.000 2.505 332 H HA 0.267 4.823 4.556 -0.001 0.000 0.289 332 H C 0.247 175.584 175.328 0.015 0.000 1.052 332 H CA 0.213 56.292 56.048 0.051 0.000 1.156 332 H CB 0.341 30.131 29.762 0.046 0.000 1.507 332 H HN 0.051 nan 8.280 nan 0.000 0.548 333 M N 0.516 120.132 119.600 0.027 0.000 2.664 333 M HA 0.249 4.728 4.480 -0.000 0.000 0.314 333 M C -0.454 175.635 176.300 -0.351 0.000 1.200 333 M CA -0.816 54.388 55.300 -0.160 0.000 0.916 333 M CB 2.149 34.587 32.600 -0.270 0.000 1.717 333 M HN -0.086 nan 8.290 nan 0.000 0.470 334 D N 0.265 120.423 120.400 -0.404 0.000 2.332 334 D HA 0.505 5.145 4.640 -0.000 0.000 0.252 334 D C -1.442 174.352 176.300 -0.843 0.000 1.050 334 D CA 0.194 53.929 54.000 -0.442 0.000 0.970 334 D CB 1.121 41.849 40.800 -0.120 0.000 1.141 334 D HN 0.301 nan 8.370 nan 0.000 0.485 335 Y N -1.080 119.028 120.300 -0.320 0.000 2.499 335 Y HA 0.557 5.106 4.550 -0.001 0.000 0.347 335 Y C 0.707 176.352 175.900 -0.425 0.000 0.987 335 Y CA -1.091 56.815 58.100 -0.324 0.000 1.044 335 Y CB 2.470 40.870 38.460 -0.102 0.000 1.245 335 Y HN 0.328 nan 8.280 nan 0.000 0.461 336 G N 1.471 109.997 108.800 -0.457 0.000 2.574 336 G HA2 0.541 4.500 3.960 -0.000 0.000 0.306 336 G HA3 0.541 4.500 3.960 -0.000 0.000 0.306 336 G C -1.545 173.179 174.900 -0.294 0.000 1.334 336 G CA -0.646 44.284 45.100 -0.283 0.000 0.954 336 G HN 0.447 nan 8.290 nan 0.000 0.500 337 V N 2.529 122.313 119.914 -0.217 0.000 2.498 337 V HA 0.292 4.412 4.120 -0.000 0.000 0.279 337 V C 0.143 176.222 176.094 -0.025 0.000 1.048 337 V CA -0.461 61.680 62.300 -0.266 0.000 0.967 337 V CB 1.164 32.894 31.823 -0.155 0.000 0.988 337 V HN 0.746 nan 8.190 nan 0.000 0.473 338 Q N 4.809 124.626 119.800 0.029 0.000 2.290 338 Q HA 0.724 5.064 4.340 -0.000 0.000 0.259 338 Q C -0.942 175.156 176.000 0.163 0.000 0.941 338 Q CA -0.274 55.606 55.803 0.129 0.000 0.912 338 Q CB 2.189 31.063 28.738 0.226 0.000 1.244 338 Q HN 0.665 nan 8.270 nan 0.000 0.441 339 I N 1.403 122.003 120.570 0.051 0.000 2.828 339 I HA 0.510 4.679 4.170 -0.000 0.000 0.302 339 I C -0.607 175.460 176.117 -0.084 0.000 1.101 339 I CA -1.202 60.097 61.300 -0.002 0.000 1.031 339 I CB 2.025 39.917 38.000 -0.180 0.000 1.231 339 I HN 0.654 nan 8.210 nan 0.000 0.427 340 N N 2.797 121.447 118.700 -0.084 0.000 2.761 340 N HA 0.312 5.052 4.740 -0.000 0.000 0.283 340 N C 0.150 175.641 175.510 -0.032 0.000 1.377 340 N CA -1.065 51.916 53.050 -0.115 0.000 0.791 340 N CB 1.277 39.569 38.487 -0.325 0.000 1.540 340 N HN 0.589 nan 8.380 nan 0.000 0.539 341 K N -0.394 119.999 120.400 -0.011 0.000 2.089 341 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 341 K C 1.635 178.250 176.600 0.025 0.000 1.048 341 K CA 1.385 57.665 56.287 -0.011 0.000 0.926 341 K CB -0.290 32.266 32.500 0.093 0.000 0.714 341 K HN 0.549 nan 8.250 nan 0.000 0.448 342 L N 0.586 121.825 121.223 0.026 0.000 2.046 342 L HA -0.225 4.114 4.340 -0.000 0.000 0.208 342 L C 2.412 179.305 176.870 0.038 0.000 1.077 342 L CA 1.169 56.039 54.840 0.050 0.000 0.747 342 L CB -0.165 41.954 42.059 0.100 0.000 0.896 342 L HN 0.309 nan 8.230 nan 0.000 0.432 343 M N -1.259 118.348 119.600 0.012 0.000 2.080 343 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 343 M C 2.364 178.727 176.300 0.106 0.000 1.068 343 M CA 1.875 57.208 55.300 0.054 0.000 1.109 343 M CB -1.394 31.202 32.600 -0.008 0.000 1.342 343 M HN 0.241 nan 8.290 nan 0.000 0.405 344 Y N 1.105 121.445 120.300 0.067 0.000 2.128 344 Y HA -0.195 4.355 4.550 -0.001 0.000 0.284 344 Y C 2.836 178.648 175.900 -0.148 0.000 1.154 344 Y CA 1.897 59.912 58.100 -0.141 0.000 1.149 344 Y CB -1.610 36.655 38.460 -0.325 0.000 0.976 344 Y HN 0.288 nan 8.280 nan 0.000 0.505 345 T N 0.298 114.895 114.554 0.072 0.000 2.699 345 T HA -0.209 4.140 4.350 -0.000 0.000 0.268 345 T C 2.034 176.754 174.700 0.034 0.000 1.036 345 T CA 1.469 63.591 62.100 0.037 0.000 1.147 345 T CB -0.143 68.752 68.868 0.044 0.000 0.862 345 T HN 0.188 nan 8.240 nan 0.000 0.446 346 R N 0.620 121.156 120.500 0.060 0.000 2.081 346 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 346 R C 2.393 178.720 176.300 0.046 0.000 1.131 346 R CA 0.867 57.011 56.100 0.074 0.000 0.960 346 R CB -1.336 29.037 30.300 0.121 0.000 0.856 346 R HN 0.346 nan 8.270 nan 0.000 0.436 347 L N 1.219 122.444 121.223 0.002 0.000 1.989 347 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 347 L C 2.257 179.080 176.870 -0.077 0.000 1.071 347 L CA 1.682 56.461 54.840 -0.102 0.000 0.749 347 L CB -0.637 41.144 42.059 -0.465 0.000 0.890 347 L HN 0.088 nan 8.230 nan 0.000 0.431 348 L N -0.722 120.459 121.223 -0.071 0.000 2.079 348 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 348 L C 1.960 178.820 176.870 -0.017 0.000 1.081 348 L CA 1.405 56.218 54.840 -0.045 0.000 0.752 348 L CB -0.622 41.415 42.059 -0.036 0.000 0.896 348 L HN 0.267 nan 8.230 nan 0.000 0.433 349 K N 0.299 120.698 120.400 -0.002 0.000 2.469 349 K HA 0.144 4.463 4.320 -0.000 0.000 0.201 349 K C 1.081 177.689 176.600 0.014 0.000 1.028 349 K CA 0.411 56.704 56.287 0.010 0.000 1.170 349 K CB 0.129 32.641 32.500 0.020 0.000 0.874 349 K HN 0.343 nan 8.250 nan 0.000 0.507 350 G N 2.149 110.955 108.800 0.010 0.000 2.380 350 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.298 350 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.298 350 G C -0.091 174.827 174.900 0.030 0.000 0.989 350 G CA 0.803 45.914 45.100 0.018 0.000 0.836 350 G HN 0.463 nan 8.290 nan 0.000 0.511 351 E N -0.470 119.754 120.200 0.040 0.000 3.188 351 E HA 0.454 4.804 4.350 -0.000 0.000 0.262 351 E C -0.397 176.241 176.600 0.063 0.000 1.341 351 E CA -0.822 55.607 56.400 0.049 0.000 1.140 351 E CB 0.462 30.195 29.700 0.054 0.000 1.306 351 E HN 0.190 nan 8.360 nan 0.000 0.694 352 D N 0.030 120.469 120.400 0.066 0.000 2.229 352 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 352 D C -0.647 175.718 176.300 0.109 0.000 1.027 352 D CA -0.270 53.772 54.000 0.070 0.000 0.923 352 D CB 1.014 41.837 40.800 0.038 0.000 1.174 352 D HN 0.180 nan 8.370 nan 0.000 0.443 353 I N 0.823 121.462 120.570 0.116 0.000 2.377 353 I HA 0.195 4.364 4.170 -0.000 0.000 0.293 353 I C 0.126 176.299 176.117 0.094 0.000 0.987 353 I CA -0.414 60.987 61.300 0.169 0.000 1.185 353 I CB 1.689 39.791 38.000 0.169 0.000 1.341 353 I HN 0.053 nan 8.210 nan 0.000 0.455 354 T N 7.155 121.762 114.554 0.089 0.000 2.767 354 T HA 0.474 4.824 4.350 -0.000 0.000 0.288 354 T C -0.039 174.451 174.700 -0.349 0.000 0.963 354 T CA -0.476 61.462 62.100 -0.269 0.000 1.019 354 T CB 0.464 68.970 68.868 -0.603 0.000 0.923 354 T HN 0.256 nan 8.240 nan 0.000 0.468 355 L N 4.175 125.203 121.223 -0.324 0.000 2.305 355 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 355 L C -0.711 175.947 176.870 -0.353 0.000 1.085 355 L CA -0.541 54.207 54.840 -0.153 0.000 0.813 355 L CB 0.307 42.341 42.059 -0.041 0.000 1.157 355 L HN 0.521 nan 8.230 nan 0.000 0.436 356 F N 0.319 120.396 119.950 0.212 0.000 2.577 356 F HA 0.360 4.887 4.527 -0.000 0.000 0.318 356 F C 0.483 176.324 175.800 0.068 0.000 1.065 356 F CA -0.750 57.312 58.000 0.103 0.000 0.929 356 F CB 2.088 41.127 39.000 0.065 0.000 1.237 356 F HN 0.325 nan 8.300 nan 0.000 0.468 357 S N 2.424 118.215 115.700 0.151 0.000 2.545 357 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 357 S C -1.856 172.793 174.600 0.082 0.000 1.299 357 S CA -1.280 56.898 58.200 -0.037 0.000 1.048 357 S CB 1.088 64.259 63.200 -0.048 0.000 0.938 357 S HN 0.355 nan 8.310 nan 0.000 0.496 358 P HA -0.074 nan 4.420 nan 0.000 0.220 358 P C 1.437 178.779 177.300 0.070 0.000 1.148 358 P CA 0.997 64.232 63.100 0.225 0.000 0.803 358 P CB -0.109 31.719 31.700 0.213 0.000 0.782 359 S N -1.300 114.398 115.700 -0.004 0.000 2.447 359 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 359 S C 1.334 175.877 174.600 -0.095 0.000 1.006 359 S CA 1.170 59.334 58.200 -0.059 0.000 0.957 359 S CB -0.895 62.255 63.200 -0.084 0.000 0.773 359 S HN 0.094 nan 8.310 nan 0.000 0.507 360 D N 1.311 121.643 120.400 -0.113 0.000 2.349 360 D HA 0.151 4.790 4.640 -0.000 0.000 0.214 360 D C 0.247 176.308 176.300 -0.397 0.000 1.063 360 D CA 0.316 54.199 54.000 -0.194 0.000 0.847 360 D CB 0.916 41.634 40.800 -0.138 0.000 0.933 360 D HN 0.503 nan 8.370 nan 0.000 0.513 361 V N -0.893 118.773 119.914 -0.414 0.000 2.380 361 V HA 0.430 4.550 4.120 -0.000 0.000 0.268 361 V C -2.917 172.962 176.094 -0.358 0.000 1.008 361 V CA -2.291 59.543 62.300 -0.775 0.000 0.823 361 V CB 1.073 32.373 31.823 -0.872 0.000 1.053 361 V HN -0.276 nan 8.190 nan 0.000 0.446 362 P HA 0.305 nan 4.420 nan 0.000 0.263 362 P C 1.284 178.650 177.300 0.111 0.000 1.195 362 P CA 1.882 64.970 63.100 -0.020 0.000 0.762 362 P CB 0.877 32.575 31.700 -0.004 0.000 0.799 363 G N 2.737 111.618 108.800 0.135 0.000 2.234 363 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 363 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 363 G C 0.850 175.884 174.900 0.223 0.000 0.987 363 G CA 0.198 45.402 45.100 0.174 0.000 0.625 363 G HN 0.535 nan 8.290 nan 0.000 0.532 364 L N -0.873 120.482 121.223 0.219 0.000 2.093 364 L HA 0.038 4.377 4.340 -0.000 0.000 0.208 364 L C 2.402 179.510 176.870 0.397 0.000 1.085 364 L CA 2.390 57.338 54.840 0.180 0.000 0.755 364 L CB -0.363 41.666 42.059 -0.049 0.000 0.904 364 L HN 0.478 nan 8.230 nan 0.000 0.435 365 Y N 1.039 121.588 120.300 0.414 0.000 2.163 365 Y HA -0.296 4.254 4.550 -0.001 0.000 0.288 365 Y C 2.343 178.616 175.900 0.623 0.000 1.136 365 Y CA 1.995 60.476 58.100 0.636 0.000 1.147 365 Y CB -0.095 38.694 38.460 0.549 0.000 0.987 365 Y HN 0.258 nan 8.280 nan 0.000 0.509 366 D N 0.016 120.762 120.400 0.576 0.000 2.144 366 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 366 D C 2.224 178.742 176.300 0.364 0.000 0.984 366 D CA 1.448 55.715 54.000 0.445 0.000 0.834 366 D CB -0.556 40.436 40.800 0.321 0.000 0.955 366 D HN 0.487 nan 8.370 nan 0.000 0.465 367 A N 0.504 123.532 122.820 0.346 0.000 1.930 367 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 367 A C 2.010 179.780 177.584 0.309 0.000 1.175 367 A CA 0.634 52.856 52.037 0.309 0.000 0.627 367 A CB -0.933 18.244 19.000 0.295 0.000 0.815 367 A HN 0.162 nan 8.150 nan 0.000 0.443 368 F N 0.166 120.191 119.950 0.125 0.000 2.111 368 F HA -0.272 4.255 4.527 -0.001 0.000 0.300 368 F C 1.728 177.210 175.800 -0.529 0.000 1.088 368 F CA 1.830 59.585 58.000 -0.407 0.000 1.243 368 F CB -0.616 38.134 39.000 -0.418 0.000 0.996 368 F HN 0.269 nan 8.300 nan 0.000 0.483 369 F N -1.061 118.841 119.950 -0.080 0.000 2.374 369 F HA 0.216 4.742 4.527 -0.001 0.000 0.291 369 F C 2.368 178.119 175.800 -0.083 0.000 1.084 369 F CA 0.864 58.757 58.000 -0.179 0.000 1.413 369 F CB -1.193 37.725 39.000 -0.136 0.000 1.099 369 F HN -0.033 nan 8.300 nan 0.000 0.534 370 A N -1.713 121.206 122.820 0.166 0.000 1.956 370 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 370 A C 0.078 177.710 177.584 0.079 0.000 1.188 370 A CA 1.091 53.200 52.037 0.119 0.000 0.675 370 A CB 0.055 19.134 19.000 0.132 0.000 0.845 370 A HN 0.202 nan 8.150 nan 0.000 0.455 371 D N -1.301 119.151 120.400 0.087 0.000 2.318 371 D HA 0.172 4.811 4.640 -0.000 0.000 0.233 371 D C 0.184 176.549 176.300 0.110 0.000 1.348 371 D CA -0.302 53.748 54.000 0.083 0.000 0.983 371 D CB 0.745 41.597 40.800 0.087 0.000 1.416 371 D HN -0.036 nan 8.370 nan 0.000 0.558 372 Q N 1.424 121.270 119.800 0.077 0.000 2.167 372 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 372 Q C 1.232 177.324 176.000 0.153 0.000 0.970 372 Q CA 1.051 56.916 55.803 0.104 0.000 0.855 372 Q CB 0.354 29.118 28.738 0.043 0.000 0.911 372 Q HN 0.602 nan 8.270 nan 0.000 0.438 373 E N 0.823 121.081 120.200 0.097 0.000 2.028 373 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 373 E C 1.934 178.576 176.600 0.069 0.000 0.988 373 E CA 1.056 57.500 56.400 0.073 0.000 0.799 373 E CB -0.101 29.624 29.700 0.042 0.000 0.755 373 E HN 0.346 nan 8.360 nan 0.000 0.447 374 E N 0.716 120.960 120.200 0.073 0.000 2.085 374 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 374 E C 1.879 178.517 176.600 0.064 0.000 0.994 374 E CA 0.930 57.361 56.400 0.053 0.000 0.801 374 E CB -0.512 29.228 29.700 0.066 0.000 0.743 374 E HN 0.233 nan 8.360 nan 0.000 0.453 375 F N 1.065 121.021 119.950 0.010 0.000 2.134 375 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 375 F C 2.223 178.022 175.800 -0.001 0.000 1.097 375 F CA 2.069 60.075 58.000 0.009 0.000 1.264 375 F CB -0.200 38.823 39.000 0.039 0.000 1.001 375 F HN 0.124 nan 8.300 nan 0.000 0.479 376 E N 0.085 120.342 120.200 0.095 0.000 2.051 376 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 376 E C 2.519 179.070 176.600 -0.081 0.000 0.991 376 E CA 1.172 57.584 56.400 0.021 0.000 0.799 376 E CB -0.251 29.499 29.700 0.083 0.000 0.748 376 E HN 0.366 nan 8.360 nan 0.000 0.449 377 R N 0.200 120.646 120.500 -0.090 0.000 2.073 377 R HA -0.129 4.210 4.340 -0.000 0.000 0.234 377 R C 2.452 178.590 176.300 -0.270 0.000 1.134 377 R CA 1.360 57.378 56.100 -0.138 0.000 0.952 377 R CB -0.249 29.989 30.300 -0.103 0.000 0.850 377 R HN 0.244 nan 8.270 nan 0.000 0.433 378 L N -0.526 120.492 121.223 -0.341 0.000 2.093 378 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 378 L C 2.354 178.787 176.870 -0.729 0.000 1.085 378 L CA 1.096 55.566 54.840 -0.616 0.000 0.755 378 L CB -0.521 41.282 42.059 -0.428 0.000 0.904 378 L HN 0.264 nan 8.230 nan 0.000 0.435 379 Y N 1.122 121.013 120.300 -0.682 0.000 2.145 379 Y HA -0.288 4.261 4.550 -0.001 0.000 0.286 379 Y C 2.912 178.636 175.900 -0.293 0.000 1.145 379 Y CA 2.151 59.898 58.100 -0.588 0.000 1.148 379 Y CB -0.371 37.597 38.460 -0.820 0.000 0.981 379 Y HN 0.281 nan 8.280 nan 0.000 0.507 380 T N -2.044 112.401 114.554 -0.182 0.000 2.896 380 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 380 T C 1.935 176.519 174.700 -0.193 0.000 1.050 380 T CA 1.234 63.251 62.100 -0.139 0.000 1.140 380 T CB -0.403 68.432 68.868 -0.055 0.000 0.877 380 T HN 0.258 nan 8.240 nan 0.000 0.457 381 K N 0.264 120.485 120.400 -0.298 0.000 2.015 381 K HA -0.215 4.104 4.320 -0.000 0.000 0.216 381 K C 2.051 178.509 176.600 -0.237 0.000 1.052 381 K CA 1.908 58.001 56.287 -0.324 0.000 0.937 381 K CB -0.421 31.766 32.500 -0.521 0.000 0.719 381 K HN 0.379 nan 8.250 nan 0.000 0.446 382 Y N 1.246 121.388 120.300 -0.263 0.000 2.352 382 Y HA -0.086 4.464 4.550 -0.000 0.000 0.292 382 Y C 2.025 177.875 175.900 -0.084 0.000 1.136 382 Y CA 0.987 58.902 58.100 -0.309 0.000 1.227 382 Y CB -0.390 37.620 38.460 -0.750 0.000 0.991 382 Y HN 0.273 nan 8.280 nan 0.000 0.545 383 E N -0.124 120.118 120.200 0.070 0.000 2.153 383 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 383 E C 1.770 178.379 176.600 0.015 0.000 0.988 383 E CA 1.125 57.551 56.400 0.044 0.000 0.811 383 E CB -0.025 29.607 29.700 -0.114 0.000 0.746 383 E HN 0.196 nan 8.360 nan 0.000 0.466 384 K N 0.739 121.134 120.400 -0.008 0.000 2.314 384 K HA -0.011 4.309 4.320 -0.000 0.000 0.198 384 K C 0.172 176.775 176.600 0.004 0.000 1.045 384 K CA 0.276 56.556 56.287 -0.011 0.000 0.988 384 K CB 0.167 32.650 32.500 -0.029 0.000 0.783 384 K HN -0.043 nan 8.250 nan 0.000 0.484 385 D N 1.525 121.940 120.400 0.025 0.000 2.344 385 D HA -0.041 4.599 4.640 -0.000 0.000 0.253 385 D C -0.145 176.173 176.300 0.030 0.000 1.255 385 D CA -0.024 53.994 54.000 0.029 0.000 0.894 385 D CB 0.609 41.443 40.800 0.057 0.000 1.067 385 D HN 0.167 nan 8.370 nan 0.000 0.492 386 D N 1.385 121.793 120.400 0.013 0.000 2.340 386 D HA -0.121 4.519 4.640 -0.000 0.000 0.220 386 D C 1.285 177.587 176.300 0.003 0.000 1.039 386 D CA 0.093 54.098 54.000 0.009 0.000 0.866 386 D CB -0.078 40.722 40.800 0.001 0.000 0.913 386 D HN 0.326 nan 8.370 nan 0.000 0.523 387 S N 0.148 115.847 115.700 -0.001 0.000 2.522 387 S HA 0.017 4.487 4.470 -0.000 0.000 0.227 387 S C 0.982 175.571 174.600 -0.019 0.000 0.986 387 S CA -0.291 57.901 58.200 -0.012 0.000 0.929 387 S CB -0.368 62.822 63.200 -0.016 0.000 0.769 387 S HN 0.191 nan 8.310 nan 0.000 0.529 388 I N 2.357 122.920 120.570 -0.011 0.000 2.336 388 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 388 I C 0.554 176.692 176.117 0.034 0.000 0.991 388 I CA -0.800 60.489 61.300 -0.019 0.000 1.227 388 I CB 1.250 39.209 38.000 -0.068 0.000 1.366 388 I HN 0.131 nan 8.210 nan 0.000 0.466 389 R N 7.416 127.928 120.500 0.021 0.000 2.570 389 R HA 0.198 4.538 4.340 -0.000 0.000 0.277 389 R C -0.698 175.648 176.300 0.076 0.000 1.039 389 R CA 0.336 56.453 56.100 0.028 0.000 1.065 389 R CB 0.514 30.816 30.300 0.004 0.000 0.964 389 R HN 0.773 nan 8.270 nan 0.000 0.428 390 K N 2.085 122.489 120.400 0.006 0.000 2.607 390 K HA 0.253 4.573 4.320 -0.000 0.000 0.287 390 K C -1.625 174.905 176.600 -0.116 0.000 0.996 390 K CA -1.153 55.075 56.287 -0.097 0.000 0.876 390 K CB 1.473 33.867 32.500 -0.176 0.000 1.496 390 K HN 0.330 nan 8.250 nan 0.000 0.415 391 Q N 1.188 120.886 119.800 -0.169 0.000 2.397 391 Q HA 0.405 4.745 4.340 -0.000 0.000 0.275 391 Q C -1.223 174.694 176.000 -0.138 0.000 1.090 391 Q CA -0.799 54.934 55.803 -0.116 0.000 0.809 391 Q CB 2.359 31.052 28.738 -0.074 0.000 1.362 391 Q HN 0.589 nan 8.270 nan 0.000 0.431 392 R N 1.000 121.446 120.500 -0.090 0.000 2.407 392 R HA 0.596 4.936 4.340 -0.000 0.000 0.303 392 R C -0.228 176.052 176.300 -0.032 0.000 0.981 392 R CA -0.537 55.522 56.100 -0.068 0.000 0.905 392 R CB 1.288 31.558 30.300 -0.051 0.000 1.099 392 R HN 0.454 nan 8.270 nan 0.000 0.459 393 V N -0.877 119.031 119.914 -0.010 0.000 2.876 393 V HA 0.472 4.592 4.120 -0.000 0.000 0.312 393 V C -0.189 175.926 176.094 0.035 0.000 1.085 393 V CA -1.444 60.862 62.300 0.011 0.000 0.945 393 V CB 2.328 34.158 31.823 0.013 0.000 1.017 393 V HN 0.431 nan 8.190 nan 0.000 0.428 394 K N 2.050 122.473 120.400 0.039 0.000 2.416 394 K HA 0.389 4.709 4.320 -0.000 0.000 0.283 394 K C 1.364 178.019 176.600 0.092 0.000 1.037 394 K CA 0.683 57.003 56.287 0.056 0.000 0.995 394 K CB 1.373 33.900 32.500 0.045 0.000 0.938 394 K HN 1.031 nan 8.250 nan 0.000 0.475 395 A N 3.859 126.753 122.820 0.123 0.000 1.917 395 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 395 A C 2.003 179.746 177.584 0.265 0.000 1.182 395 A CA 2.280 54.450 52.037 0.221 0.000 0.633 395 A CB -0.726 18.402 19.000 0.214 0.000 0.819 395 A HN 0.603 nan 8.150 nan 0.000 0.448 396 V N -1.989 118.013 119.914 0.145 0.000 2.392 396 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 396 V C 1.961 178.134 176.094 0.132 0.000 1.059 396 V CA 2.401 64.773 62.300 0.120 0.000 1.051 396 V CB -1.138 30.721 31.823 0.060 0.000 0.658 396 V HN 0.623 nan 8.190 nan 0.000 0.455 397 E N 0.196 120.457 120.200 0.102 0.000 2.072 397 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 397 E C 2.090 178.736 176.600 0.078 0.000 0.982 397 E CA 1.258 57.702 56.400 0.073 0.000 0.803 397 E CB -0.229 29.499 29.700 0.046 0.000 0.755 397 E HN 0.488 nan 8.360 nan 0.000 0.453 398 L N 0.274 121.551 121.223 0.089 0.000 1.976 398 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 398 L C 1.992 178.866 176.870 0.007 0.000 1.071 398 L CA 1.700 56.556 54.840 0.027 0.000 0.746 398 L CB -0.603 41.450 42.059 -0.009 0.000 0.890 398 L HN 0.060 nan 8.230 nan 0.000 0.432 399 F N -0.651 119.311 119.950 0.020 0.000 2.126 399 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 399 F C 2.645 178.462 175.800 0.028 0.000 1.096 399 F CA 1.733 59.748 58.000 0.026 0.000 1.255 399 F CB -0.804 38.215 39.000 0.033 0.000 0.997 399 F HN 0.054 nan 8.300 nan 0.000 0.479 400 S N 0.276 116.095 115.700 0.198 0.000 2.353 400 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 400 S C 1.980 176.618 174.600 0.063 0.000 1.035 400 S CA 1.412 59.676 58.200 0.108 0.000 1.025 400 S CB -0.742 62.502 63.200 0.074 0.000 0.902 400 S HN 0.271 nan 8.310 nan 0.000 0.440 401 L N 1.676 122.924 121.223 0.043 0.000 2.043 401 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 401 L C 2.267 179.144 176.870 0.011 0.000 1.075 401 L CA 1.917 56.765 54.840 0.015 0.000 0.752 401 L CB -0.605 41.454 42.059 0.000 0.000 0.891 401 L HN 0.380 nan 8.230 nan 0.000 0.432 402 M N -1.780 117.826 119.600 0.009 0.000 2.065 402 M HA -0.263 4.217 4.480 -0.000 0.000 0.259 402 M C 2.084 178.410 176.300 0.043 0.000 1.069 402 M CA 1.993 57.298 55.300 0.008 0.000 1.110 402 M CB -0.058 32.518 32.600 -0.040 0.000 1.328 402 M HN 0.284 nan 8.290 nan 0.000 0.405 403 M N 0.067 119.712 119.600 0.075 0.000 2.159 403 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 403 M C 2.135 178.456 176.300 0.034 0.000 1.063 403 M CA 1.730 57.076 55.300 0.078 0.000 1.110 403 M CB -1.753 30.905 32.600 0.096 0.000 1.374 403 M HN 0.523 nan 8.290 nan 0.000 0.411 404 Q N 0.380 120.192 119.800 0.020 0.000 2.050 404 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 404 Q C 1.707 177.708 176.000 0.002 0.000 0.980 404 Q CA 1.431 57.234 55.803 -0.000 0.000 0.840 404 Q CB 0.113 28.850 28.738 -0.002 0.000 0.898 404 Q HN 0.386 nan 8.270 nan 0.000 0.424 405 E N 0.553 120.756 120.200 0.005 0.000 2.106 405 E HA -0.188 4.161 4.350 -0.000 0.000 0.192 405 E C 1.986 178.594 176.600 0.013 0.000 0.984 405 E CA 0.986 57.386 56.400 0.001 0.000 0.806 405 E CB -0.290 29.404 29.700 -0.010 0.000 0.750 405 E HN 0.395 nan 8.360 nan 0.000 0.458 406 R N 0.880 121.398 120.500 0.031 0.000 2.091 406 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 406 R C 2.179 178.521 176.300 0.069 0.000 1.136 406 R CA 1.646 57.782 56.100 0.058 0.000 0.959 406 R CB -0.187 30.172 30.300 0.099 0.000 0.856 406 R HN 0.125 nan 8.270 nan 0.000 0.437 407 A N 0.202 123.049 122.820 0.044 0.000 1.873 407 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 407 A C 2.232 179.832 177.584 0.028 0.000 1.186 407 A CA 1.708 53.764 52.037 0.032 0.000 0.616 407 A CB -0.663 18.322 19.000 -0.026 0.000 0.823 407 A HN 0.459 nan 8.150 nan 0.000 0.442 408 S N -0.251 115.455 115.700 0.011 0.000 2.359 408 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 408 S C 2.214 176.823 174.600 0.014 0.000 1.038 408 S CA 2.356 60.560 58.200 0.007 0.000 1.051 408 S CB -0.729 62.470 63.200 -0.002 0.000 0.944 408 S HN 0.904 nan 8.310 nan 0.000 0.433 409 T N -2.210 112.353 114.554 0.017 0.000 3.051 409 T HA 0.372 4.722 4.350 -0.000 0.000 0.255 409 T C 1.626 176.343 174.700 0.028 0.000 1.085 409 T CA 1.100 63.208 62.100 0.013 0.000 1.109 409 T CB -0.100 68.770 68.868 0.004 0.000 0.921 409 T HN 0.690 nan 8.240 nan 0.000 0.488 410 G N 2.787 111.622 108.800 0.059 0.000 2.189 410 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 410 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 410 G C 0.690 175.692 174.900 0.169 0.000 0.975 410 G CA 0.338 45.508 45.100 0.118 0.000 0.644 410 G HN 0.711 nan 8.290 nan 0.000 0.537 411 R N -0.381 120.135 120.500 0.026 0.000 2.698 411 R HA 0.416 4.756 4.340 -0.000 0.000 0.422 411 R C -0.295 175.691 176.300 -0.523 0.000 1.073 411 R CA -0.473 55.496 56.100 -0.218 0.000 1.054 411 R CB 0.544 30.797 30.300 -0.080 0.000 1.373 411 R HN 0.296 nan 8.270 nan 0.000 0.593 412 I N 2.106 122.500 120.570 -0.293 0.000 2.330 412 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 412 I C -0.260 175.779 176.117 -0.129 0.000 1.001 412 I CA -1.324 59.840 61.300 -0.227 0.000 1.193 412 I CB 0.393 38.370 38.000 -0.038 0.000 1.345 412 I HN 0.007 nan 8.210 nan 0.000 0.461 413 Y N 6.265 126.602 120.300 0.061 0.000 2.519 413 Y HA 0.626 5.176 4.550 0.000 0.000 0.324 413 Y C 0.233 176.173 175.900 0.067 0.000 1.214 413 Y CA -1.450 56.691 58.100 0.068 0.000 1.260 413 Y CB 0.975 39.455 38.460 0.033 0.000 1.311 413 Y HN 0.296 nan 8.280 nan 0.000 0.505 414 I N 0.759 121.513 120.570 0.308 0.000 2.545 414 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 414 I C -0.778 175.490 176.117 0.251 0.000 1.040 414 I CA -0.647 60.797 61.300 0.240 0.000 1.068 414 I CB 2.068 40.226 38.000 0.263 0.000 1.251 414 I HN 0.491 nan 8.210 nan 0.000 0.424 415 Q N 5.438 125.376 119.800 0.230 0.000 2.320 415 Q HA 0.389 4.729 4.340 -0.000 0.000 0.268 415 Q C -1.340 174.759 176.000 0.165 0.000 1.023 415 Q CA -0.734 55.195 55.803 0.210 0.000 0.744 415 Q CB 1.086 29.961 28.738 0.228 0.000 1.246 415 Q HN 0.532 nan 8.270 nan 0.000 0.462 416 N N 4.373 123.195 118.700 0.203 0.000 2.466 416 N HA -0.005 4.734 4.740 -0.000 0.000 0.263 416 N C 1.163 176.696 175.510 0.038 0.000 1.178 416 N CA 0.170 53.331 53.050 0.186 0.000 0.983 416 N CB 1.295 39.988 38.487 0.344 0.000 1.331 416 N HN 0.578 nan 8.380 nan 0.000 0.500 417 V N -0.218 119.624 119.914 -0.119 0.000 2.626 417 V HA -0.195 3.924 4.120 -0.000 0.000 0.252 417 V C 1.600 177.580 176.094 -0.190 0.000 1.067 417 V CA 1.434 63.618 62.300 -0.193 0.000 1.081 417 V CB -0.342 31.169 31.823 -0.521 0.000 0.686 417 V HN 0.370 nan 8.190 nan 0.000 0.468 418 D N 0.180 120.432 120.400 -0.247 0.000 2.084 418 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 418 D C 1.971 178.249 176.300 -0.037 0.000 0.990 418 D CA 2.137 56.038 54.000 -0.166 0.000 0.826 418 D CB -1.031 39.669 40.800 -0.167 0.000 0.971 418 D HN 0.526 nan 8.370 nan 0.000 0.453 419 H N -0.142 118.931 119.070 0.005 0.000 2.457 419 H HA -0.001 4.555 4.556 -0.001 0.000 0.297 419 H C 2.161 177.505 175.328 0.027 0.000 1.092 419 H CA 0.706 56.747 56.048 -0.012 0.000 1.309 419 H CB -0.754 28.976 29.762 -0.054 0.000 1.382 419 H HN 0.304 nan 8.280 nan 0.000 0.535 420 C N 0.476 119.854 119.300 0.130 0.000 2.456 420 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 420 C C 2.140 177.174 174.990 0.073 0.000 1.427 420 C CA 0.398 59.469 59.018 0.088 0.000 1.778 420 C CB -0.367 27.411 27.740 0.063 0.000 1.842 420 C HN 0.591 nan 8.230 nan 0.000 0.531 421 N N -0.402 118.339 118.700 0.068 0.000 2.317 421 N HA -0.033 4.707 4.740 -0.000 0.000 0.199 421 N C 1.784 177.325 175.510 0.052 0.000 1.145 421 N CA 1.257 54.344 53.050 0.062 0.000 0.882 421 N CB -0.079 38.445 38.487 0.061 0.000 1.113 421 N HN 0.631 nan 8.380 nan 0.000 0.486 422 T N -2.176 112.417 114.554 0.066 0.000 3.014 422 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 422 T C 0.594 175.349 174.700 0.091 0.000 1.078 422 T CA 0.918 63.054 62.100 0.061 0.000 1.135 422 T CB -0.147 68.758 68.868 0.061 0.000 0.895 422 T HN 0.076 nan 8.240 nan 0.000 0.480 423 H N 0.893 119.953 119.070 -0.017 0.000 2.645 423 H HA 0.668 5.224 4.556 -0.001 0.000 0.257 423 H C -1.037 174.266 175.328 -0.042 0.000 1.269 423 H CA -0.711 55.306 56.048 -0.051 0.000 1.409 423 H CB 0.413 30.135 29.762 -0.067 0.000 1.434 423 H HN 0.287 nan 8.280 nan 0.000 0.505 424 S N 3.928 119.483 115.700 -0.241 0.000 2.543 424 S HA 0.287 4.757 4.470 -0.000 0.000 0.274 424 S C -2.603 171.820 174.600 -0.295 0.000 1.149 424 S CA -1.130 56.945 58.200 -0.208 0.000 0.866 424 S CB 1.364 64.551 63.200 -0.022 0.000 1.111 424 S HN 0.303 nan 8.310 nan 0.000 0.457 425 P HA 0.243 nan 4.420 nan 0.000 0.242 425 P C -0.570 176.315 177.300 -0.692 0.000 1.197 425 P CA 0.569 63.293 63.100 -0.627 0.000 0.765 425 P CB -0.263 31.066 31.700 -0.619 0.000 0.936 426 F N -0.295 119.610 119.950 -0.075 0.000 2.508 426 F HA 0.319 4.846 4.527 -0.000 0.000 0.325 426 F C 0.774 176.536 175.800 -0.064 0.000 1.090 426 F CA -1.548 56.420 58.000 -0.053 0.000 0.945 426 F CB 0.662 39.648 39.000 -0.023 0.000 1.156 426 F HN -0.350 nan 8.300 nan 0.000 0.463 427 D N 4.797 125.271 120.400 0.123 0.000 2.346 427 D HA 0.119 4.759 4.640 -0.000 0.000 0.260 427 D C -1.538 174.802 176.300 0.066 0.000 1.252 427 D CA -2.150 51.881 54.000 0.052 0.000 0.895 427 D CB 1.161 41.970 40.800 0.016 0.000 1.097 427 D HN 0.139 nan 8.370 nan 0.000 0.489 428 P HA -0.107 nan 4.420 nan 0.000 0.222 428 P C 0.861 178.189 177.300 0.046 0.000 1.147 428 P CA 0.644 63.778 63.100 0.057 0.000 0.790 428 P CB 0.191 31.927 31.700 0.060 0.000 0.780 429 A N -0.837 122.004 122.820 0.035 0.000 2.119 429 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 429 A C 2.092 179.683 177.584 0.012 0.000 1.153 429 A CA 0.981 53.035 52.037 0.029 0.000 0.692 429 A CB -0.999 18.015 19.000 0.022 0.000 0.799 429 A HN 0.205 nan 8.150 nan 0.000 0.458 430 I N -2.628 117.943 120.570 0.001 0.000 3.443 430 I HA 0.251 4.421 4.170 -0.000 0.000 0.277 430 I C 1.138 177.226 176.117 -0.049 0.000 1.169 430 I CA 0.740 62.023 61.300 -0.029 0.000 1.419 430 I CB 0.392 38.371 38.000 -0.034 0.000 1.331 430 I HN 0.151 nan 8.210 nan 0.000 0.458 431 A N 2.972 125.775 122.820 -0.029 0.000 3.216 431 A HA 0.492 4.812 4.320 -0.000 0.000 0.321 431 A C -2.645 174.885 177.584 -0.090 0.000 1.042 431 A CA -1.158 50.825 52.037 -0.090 0.000 0.838 431 A CB -0.425 18.516 19.000 -0.099 0.000 1.136 431 A HN -0.062 nan 8.150 nan 0.000 0.483 432 P HA 0.184 nan 4.420 nan 0.000 0.272 432 P C -0.109 177.103 177.300 -0.145 0.000 1.223 432 P CA 0.162 63.230 63.100 -0.054 0.000 0.784 432 P CB 1.340 33.025 31.700 -0.025 0.000 0.923 433 V N 5.105 124.961 119.914 -0.097 0.000 2.385 433 V HA 0.188 4.308 4.120 -0.000 0.000 0.269 433 V C 1.603 177.555 176.094 -0.237 0.000 1.043 433 V CA 0.031 62.242 62.300 -0.148 0.000 0.906 433 V CB 0.197 31.997 31.823 -0.038 0.000 0.995 433 V HN 0.528 nan 8.190 nan 0.000 0.467 434 R N 4.409 124.651 120.500 -0.430 0.000 2.543 434 R HA 0.279 4.619 4.340 -0.000 0.000 0.323 434 R C 0.211 176.234 176.300 -0.461 0.000 1.002 434 R CA -0.117 55.479 56.100 -0.840 0.000 1.106 434 R CB 0.706 30.263 30.300 -1.239 0.000 1.280 434 R HN 0.900 nan 8.270 nan 0.000 0.549 435 Q N -1.769 117.792 119.800 -0.398 0.000 2.907 435 Q HA 0.419 4.759 4.340 -0.000 0.000 0.310 435 Q C -1.441 174.142 176.000 -0.694 0.000 0.861 435 Q CA -0.771 54.624 55.803 -0.679 0.000 0.769 435 Q CB 1.324 29.681 28.738 -0.635 0.000 1.465 435 Q HN -0.078 nan 8.270 nan 0.000 0.449 436 S N -0.548 114.444 115.700 -1.179 0.000 2.971 436 S HA 0.602 5.072 4.470 -0.000 0.000 0.320 436 S C -1.141 173.322 174.600 -0.228 0.000 1.111 436 S CA -0.141 57.761 58.200 -0.497 0.000 0.870 436 S CB 1.093 64.183 63.200 -0.183 0.000 1.331 436 S HN 0.824 nan 8.310 nan 0.000 0.635 437 N N 0.489 119.212 118.700 0.038 0.000 2.823 437 N HA 0.231 4.971 4.740 -0.000 0.000 0.324 437 N C 1.062 176.692 175.510 0.200 0.000 1.336 437 N CA -0.579 52.531 53.050 0.101 0.000 0.861 437 N CB -0.731 37.769 38.487 0.021 0.000 1.157 437 N HN 0.472 nan 8.380 nan 0.000 0.585 438 L N 0.699 121.983 121.223 0.102 0.000 1.978 438 L HA -0.173 4.167 4.340 -0.000 0.000 0.218 438 L C 1.923 178.800 176.870 0.012 0.000 1.075 438 L CA 2.831 57.714 54.840 0.071 0.000 0.767 438 L CB -1.091 40.994 42.059 0.044 0.000 0.890 438 L HN 0.812 nan 8.230 nan 0.000 0.434 439 S N -2.065 113.609 115.700 -0.042 0.000 2.557 439 S HA 0.229 4.699 4.470 -0.000 0.000 0.223 439 S C 0.819 175.307 174.600 -0.187 0.000 0.969 439 S CA 0.008 58.107 58.200 -0.168 0.000 0.927 439 S CB 0.051 63.172 63.200 -0.132 0.000 0.806 439 S HN 0.349 nan 8.310 nan 0.000 0.489 440 L N 1.005 122.184 121.223 -0.073 0.000 4.406 440 L HA -0.145 4.195 4.340 -0.000 0.000 0.406 440 L C 1.411 178.266 176.870 -0.025 0.000 1.133 440 L CA 1.403 56.225 54.840 -0.029 0.000 0.974 440 L CB -2.131 39.846 42.059 -0.136 0.000 2.152 440 L HN 0.734 nan 8.230 nan 0.000 0.736 441 E N -0.811 119.373 120.200 -0.025 0.000 2.473 441 E HA 0.110 4.460 4.350 -0.000 0.000 0.204 441 E C 0.803 177.404 176.600 0.002 0.000 0.994 441 E CA -0.110 56.283 56.400 -0.011 0.000 0.945 441 E CB 0.629 30.321 29.700 -0.013 0.000 0.990 441 E HN 0.406 nan 8.360 nan 0.000 0.493 442 I N 2.321 122.889 120.570 -0.004 0.000 2.365 442 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 442 I C -0.099 176.004 176.117 -0.024 0.000 1.004 442 I CA -0.842 60.456 61.300 -0.003 0.000 1.311 442 I CB 1.038 39.031 38.000 -0.012 0.000 1.401 442 I HN 0.085 nan 8.210 nan 0.000 0.491 443 A N 8.380 131.203 122.820 0.005 0.000 2.651 443 A HA 0.761 5.081 4.320 -0.000 0.000 0.290 443 A C -0.854 176.754 177.584 0.041 0.000 1.185 443 A CA -0.408 51.624 52.037 -0.008 0.000 0.746 443 A CB 0.619 19.629 19.000 0.017 0.000 1.213 443 A HN 0.617 nan 8.150 nan 0.000 0.429 444 L N 1.780 122.967 121.223 -0.060 0.000 2.376 444 L HA 0.608 4.948 4.340 -0.000 0.000 0.258 444 L C -2.620 174.076 176.870 -0.291 0.000 1.013 444 L CA -2.572 52.180 54.840 -0.147 0.000 0.822 444 L CB 2.806 44.819 42.059 -0.076 0.000 1.388 444 L HN 0.330 nan 8.230 nan 0.000 0.413 445 P HA 0.273 nan 4.420 nan 0.000 0.275 445 P C -0.989 176.181 177.300 -0.217 0.000 1.228 445 P CA -0.242 62.632 63.100 -0.376 0.000 0.786 445 P CB 0.992 32.397 31.700 -0.491 0.000 0.927 446 T N -1.190 113.261 114.554 -0.171 0.000 2.883 446 T HA 0.705 5.055 4.350 -0.000 0.000 0.301 446 T C -0.974 173.681 174.700 -0.075 0.000 1.158 446 T CA -1.000 61.036 62.100 -0.106 0.000 1.007 446 T CB 1.774 70.574 68.868 -0.113 0.000 1.186 446 T HN 0.196 nan 8.240 nan 0.000 0.499 447 K N 1.499 121.876 120.400 -0.037 0.000 2.513 447 K HA 0.555 4.874 4.320 -0.000 0.000 0.251 447 K C -3.026 173.572 176.600 -0.004 0.000 0.939 447 K CA -2.169 54.106 56.287 -0.020 0.000 0.793 447 K CB 2.466 34.958 32.500 -0.013 0.000 1.241 447 K HN 0.366 nan 8.250 nan 0.000 0.431 448 P HA 0.038 nan 4.420 nan 0.000 0.267 448 P C -1.022 176.291 177.300 0.022 0.000 1.200 448 P CA -0.329 62.779 63.100 0.014 0.000 0.772 448 P CB 0.502 32.213 31.700 0.018 0.000 0.855 449 L N 3.142 124.384 121.223 0.031 0.000 2.322 449 L HA 0.340 4.680 4.340 -0.000 0.000 0.279 449 L C 1.514 178.411 176.870 0.044 0.000 1.036 449 L CA 0.099 54.962 54.840 0.038 0.000 0.807 449 L CB 0.669 42.755 42.059 0.044 0.000 1.226 449 L HN 0.217 nan 8.230 nan 0.000 0.433 450 N N 0.833 119.558 118.700 0.041 0.000 2.416 450 N HA -0.003 4.737 4.740 -0.000 0.000 0.177 450 N C -0.597 174.943 175.510 0.049 0.000 1.036 450 N CA 0.520 53.595 53.050 0.042 0.000 0.901 450 N CB 0.109 38.617 38.487 0.035 0.000 0.976 450 N HN 0.738 nan 8.380 nan 0.000 0.444 451 D N -2.727 117.703 120.400 0.049 0.000 2.738 451 D HA 0.017 4.657 4.640 -0.000 0.000 0.229 451 D C 0.863 177.192 176.300 0.049 0.000 1.200 451 D CA -0.367 53.663 54.000 0.049 0.000 0.746 451 D CB 0.739 41.563 40.800 0.041 0.000 1.597 451 D HN -0.206 nan 8.370 nan 0.000 0.471 452 V N 1.614 121.558 119.914 0.050 0.000 2.439 452 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 452 V C 1.281 177.400 176.094 0.041 0.000 1.074 452 V CA 1.685 64.013 62.300 0.047 0.000 1.076 452 V CB -0.660 31.186 31.823 0.038 0.000 0.664 452 V HN 0.617 nan 8.190 nan 0.000 0.461 453 N N -0.266 118.456 118.700 0.036 0.000 2.235 453 N HA 0.090 4.830 4.740 -0.000 0.000 0.209 453 N C 0.306 175.836 175.510 0.033 0.000 1.122 453 N CA 0.028 53.097 53.050 0.032 0.000 0.845 453 N CB -0.122 38.380 38.487 0.025 0.000 1.004 453 N HN 0.537 nan 8.380 nan 0.000 0.499 454 D N 1.805 122.227 120.400 0.037 0.000 2.502 454 D HA -0.072 4.568 4.640 -0.000 0.000 0.249 454 D C 0.849 177.173 176.300 0.039 0.000 1.188 454 D CA 0.532 54.554 54.000 0.036 0.000 0.890 454 D CB 0.708 41.531 40.800 0.037 0.000 1.140 454 D HN 0.062 nan 8.370 nan 0.000 0.505 455 E N 2.847 123.069 120.200 0.038 0.000 2.489 455 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 455 E C 0.339 176.972 176.600 0.055 0.000 1.057 455 E CA 0.224 56.651 56.400 0.045 0.000 0.866 455 E CB 0.027 29.750 29.700 0.039 0.000 0.916 455 E HN 0.572 nan 8.360 nan 0.000 0.500 456 N N -0.070 118.657 118.700 0.044 0.000 2.205 456 N HA 0.077 4.817 4.740 -0.000 0.000 0.201 456 N C 0.562 176.093 175.510 0.036 0.000 1.128 456 N CA -0.170 52.902 53.050 0.038 0.000 0.867 456 N CB 1.132 39.631 38.487 0.020 0.000 0.996 456 N HN -0.039 nan 8.380 nan 0.000 0.503 457 G N 0.267 109.093 108.800 0.044 0.000 2.502 457 G HA2 0.337 4.297 3.960 -0.000 0.000 0.305 457 G HA3 0.337 4.297 3.960 -0.000 0.000 0.305 457 G C -0.917 174.019 174.900 0.060 0.000 1.190 457 G CA -0.228 44.896 45.100 0.040 0.000 0.933 457 G HN 0.069 nan 8.290 nan 0.000 0.503 458 E N 0.038 120.266 120.200 0.047 0.000 2.241 458 E HA 0.392 4.742 4.350 -0.000 0.000 0.263 458 E C -0.998 175.617 176.600 0.024 0.000 0.882 458 E CA -0.540 55.897 56.400 0.062 0.000 0.769 458 E CB 1.629 31.384 29.700 0.091 0.000 1.185 458 E HN 0.317 nan 8.360 nan 0.000 0.415 459 I N 2.958 123.546 120.570 0.028 0.000 2.359 459 I HA 0.405 4.575 4.170 -0.000 0.000 0.294 459 I C 0.115 176.222 176.117 -0.016 0.000 0.987 459 I CA -0.528 60.773 61.300 0.002 0.000 1.225 459 I CB 1.719 39.739 38.000 0.034 0.000 1.366 459 I HN 0.532 nan 8.210 nan 0.000 0.466 460 A N 7.779 130.568 122.820 -0.051 0.000 2.331 460 A HA 0.795 5.115 4.320 -0.000 0.000 0.283 460 A C -0.622 176.926 177.584 -0.060 0.000 1.142 460 A CA -0.273 51.731 52.037 -0.054 0.000 0.812 460 A CB 0.438 19.390 19.000 -0.079 0.000 1.074 460 A HN 0.683 nan 8.150 nan 0.000 0.497 461 L N 0.947 122.156 121.223 -0.023 0.000 2.333 461 L HA 0.683 5.022 4.340 -0.000 0.000 0.263 461 L C -0.705 176.177 176.870 0.019 0.000 1.014 461 L CA -0.701 54.133 54.840 -0.009 0.000 0.820 461 L CB 2.333 44.430 42.059 0.063 0.000 1.352 461 L HN 0.759 nan 8.230 nan 0.000 0.421 462 C N 0.287 119.600 119.300 0.021 0.000 2.782 462 C HA 0.636 5.096 4.460 -0.000 0.000 0.328 462 C C -0.156 174.857 174.990 0.037 0.000 1.145 462 C CA -0.198 58.840 59.018 0.034 0.000 1.358 462 C CB 1.882 29.639 27.740 0.027 0.000 1.841 462 C HN 0.842 nan 8.230 nan 0.000 0.477 463 T N 6.078 120.655 114.554 0.038 0.000 2.837 463 T HA 0.594 4.943 4.350 -0.000 0.000 0.285 463 T C -0.420 174.286 174.700 0.010 0.000 0.984 463 T CA -0.222 61.894 62.100 0.028 0.000 1.049 463 T CB 0.705 69.585 68.868 0.020 0.000 0.947 463 T HN 0.534 nan 8.240 nan 0.000 0.472 464 L N 1.798 123.025 121.223 0.007 0.000 2.330 464 L HA 0.829 5.169 4.340 -0.000 0.000 0.271 464 L C 0.219 177.075 176.870 -0.023 0.000 1.013 464 L CA -0.734 54.102 54.840 -0.006 0.000 0.816 464 L CB 1.997 44.061 42.059 0.009 0.000 1.287 464 L HN 0.643 nan 8.230 nan 0.000 0.435 465 S N -0.268 115.396 115.700 -0.060 0.000 2.703 465 S HA 0.865 5.335 4.470 -0.000 0.000 0.273 465 S C -1.583 172.925 174.600 -0.153 0.000 1.178 465 S CA -0.393 57.758 58.200 -0.082 0.000 0.838 465 S CB 2.007 65.153 63.200 -0.089 0.000 1.178 465 S HN 0.812 nan 8.310 nan 0.000 0.494 466 A N 0.464 123.174 122.820 -0.184 0.000 2.572 466 A HA 0.815 5.135 4.320 -0.000 0.000 0.295 466 A C -1.974 175.458 177.584 -0.253 0.000 1.072 466 A CA -0.587 51.314 52.037 -0.227 0.000 0.691 466 A CB 0.613 19.589 19.000 -0.040 0.000 1.291 466 A HN 0.457 nan 8.150 nan 0.000 0.404 467 F N 1.646 121.599 119.950 0.006 0.000 2.410 467 F HA 0.336 4.863 4.527 -0.000 0.000 0.348 467 F C 0.983 176.786 175.800 0.004 0.000 1.106 467 F CA -0.735 57.255 58.000 -0.018 0.000 1.163 467 F CB 0.940 39.899 39.000 -0.068 0.000 1.129 467 F HN 0.572 nan 8.300 nan 0.000 0.516 468 N N 4.342 123.176 118.700 0.224 0.000 2.508 468 N HA 0.079 4.819 4.740 -0.000 0.000 0.253 468 N C 0.889 176.491 175.510 0.152 0.000 1.145 468 N CA 0.222 53.382 53.050 0.183 0.000 0.973 468 N CB 0.280 38.879 38.487 0.186 0.000 1.305 468 N HN 0.731 nan 8.380 nan 0.000 0.506 469 L N 1.796 123.084 121.223 0.107 0.000 2.261 469 L HA -0.073 4.267 4.340 -0.000 0.000 0.216 469 L C 1.987 178.960 176.870 0.172 0.000 1.114 469 L CA 1.170 55.995 54.840 -0.026 0.000 0.777 469 L CB -0.124 41.764 42.059 -0.285 0.000 0.910 469 L HN 0.546 nan 8.230 nan 0.000 0.440 470 G N -1.221 107.752 108.800 0.289 0.000 2.813 470 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 1.353 176.440 174.900 0.311 0.000 1.150 470 G CA 0.580 45.916 45.100 0.393 0.000 0.785 470 G HN 0.418 nan 8.290 nan 0.000 0.535 471 A N 0.144 123.096 122.820 0.219 0.000 2.390 471 A HA 0.536 4.856 4.320 -0.000 0.000 0.232 471 A C 0.721 178.357 177.584 0.087 0.000 1.233 471 A CA -0.183 51.951 52.037 0.162 0.000 0.907 471 A CB -0.129 18.972 19.000 0.167 0.000 0.967 471 A HN 0.530 nan 8.150 nan 0.000 0.512 472 I N -3.125 117.493 120.570 0.080 0.000 2.336 472 I HA 0.413 4.582 4.170 -0.000 0.000 0.292 472 I C 0.408 176.553 176.117 0.047 0.000 0.991 472 I CA -0.639 60.676 61.300 0.026 0.000 1.227 472 I CB 0.933 38.917 38.000 -0.027 0.000 1.366 472 I HN -0.040 nan 8.210 nan 0.000 0.466 473 N N 4.499 123.204 118.700 0.008 0.000 2.216 473 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 473 N C -0.045 175.476 175.510 0.017 0.000 1.017 473 N CA 1.122 54.173 53.050 0.002 0.000 0.861 473 N CB -0.394 38.077 38.487 -0.027 0.000 0.986 473 N HN 0.920 nan 8.380 nan 0.000 0.428 474 N N -1.409 117.293 118.700 0.005 0.000 2.494 474 N HA 0.209 4.949 4.740 -0.000 0.000 0.270 474 N C 0.079 175.586 175.510 -0.006 0.000 1.285 474 N CA -0.640 52.419 53.050 0.014 0.000 0.812 474 N CB 1.146 39.629 38.487 -0.006 0.000 1.557 474 N HN -0.266 nan 8.380 nan 0.000 0.487 475 L N -0.305 120.934 121.223 0.026 0.000 2.265 475 L HA -0.054 4.285 4.340 -0.000 0.000 0.215 475 L C 0.629 177.511 176.870 0.020 0.000 1.117 475 L CA 0.957 55.812 54.840 0.027 0.000 0.782 475 L CB -0.357 41.762 42.059 0.100 0.000 0.914 475 L HN 0.693 nan 8.230 nan 0.000 0.441 476 D N -0.073 120.336 120.400 0.015 0.000 2.363 476 D HA -0.099 4.541 4.640 -0.000 0.000 0.220 476 D C 1.839 177.984 176.300 -0.259 0.000 0.994 476 D CA 0.495 54.456 54.000 -0.066 0.000 0.890 476 D CB 0.155 40.978 40.800 0.039 0.000 0.906 476 D HN 0.418 nan 8.370 nan 0.000 0.530 477 E N 0.300 120.375 120.200 -0.207 0.000 2.204 477 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 477 E C 2.013 178.400 176.600 -0.355 0.000 0.990 477 E CA 0.260 56.518 56.400 -0.236 0.000 0.821 477 E CB 0.051 29.651 29.700 -0.166 0.000 0.750 477 E HN 0.319 nan 8.360 nan 0.000 0.477 478 L N 0.836 121.789 121.223 -0.450 0.000 2.265 478 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 478 L C 2.495 178.952 176.870 -0.689 0.000 1.117 478 L CA 0.835 55.320 54.840 -0.592 0.000 0.782 478 L CB -0.263 41.491 42.059 -0.509 0.000 0.914 478 L HN 0.181 nan 8.230 nan 0.000 0.441 479 E N 0.584 120.150 120.200 -1.057 0.000 2.023 479 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 479 E C 1.937 178.315 176.600 -0.370 0.000 1.003 479 E CA 1.740 57.580 56.400 -0.933 0.000 0.809 479 E CB 0.158 29.309 29.700 -0.915 0.000 0.755 479 E HN 0.457 nan 8.360 nan 0.000 0.449 480 E N 0.708 120.729 120.200 -0.298 0.000 2.051 480 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 480 E C 2.192 178.742 176.600 -0.084 0.000 0.991 480 E CA 1.230 57.534 56.400 -0.160 0.000 0.799 480 E CB -0.240 29.366 29.700 -0.158 0.000 0.748 480 E HN 0.309 nan 8.360 nan 0.000 0.449 481 L N 0.350 121.503 121.223 -0.117 0.000 2.083 481 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 481 L C 2.444 179.440 176.870 0.210 0.000 1.083 481 L CA 1.072 55.929 54.840 0.028 0.000 0.752 481 L CB -0.581 41.459 42.059 -0.033 0.000 0.899 481 L HN 0.164 nan 8.230 nan 0.000 0.433 482 A N 0.302 123.173 122.820 0.084 0.000 1.933 482 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 482 A C 2.234 179.915 177.584 0.163 0.000 1.175 482 A CA 1.433 53.606 52.037 0.226 0.000 0.628 482 A CB -0.591 18.481 19.000 0.120 0.000 0.814 482 A HN 0.334 nan 8.150 nan 0.000 0.444 483 I N -0.794 119.834 120.570 0.098 0.000 2.179 483 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 483 I C 2.270 178.509 176.117 0.204 0.000 1.088 483 I CA 0.792 62.167 61.300 0.125 0.000 1.357 483 I CB -0.265 37.797 38.000 0.104 0.000 1.051 483 I HN 0.214 nan 8.210 nan 0.000 0.409 484 L N 0.681 122.048 121.223 0.239 0.000 1.989 484 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 484 L C 2.673 179.787 176.870 0.407 0.000 1.071 484 L CA 2.317 57.384 54.840 0.378 0.000 0.749 484 L CB -1.544 40.730 42.059 0.357 0.000 0.890 484 L HN 0.240 nan 8.230 nan 0.000 0.431 485 A N -1.325 121.684 122.820 0.316 0.000 1.898 485 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 485 A C 2.378 180.030 177.584 0.113 0.000 1.181 485 A CA 1.758 53.937 52.037 0.237 0.000 0.620 485 A CB -0.830 18.232 19.000 0.103 0.000 0.819 485 A HN 0.225 nan 8.150 nan 0.000 0.442 486 V N -0.090 119.884 119.914 0.101 0.000 2.358 486 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 486 V C 2.626 178.717 176.094 -0.006 0.000 1.047 486 V CA 2.191 64.514 62.300 0.037 0.000 1.035 486 V CB -0.815 31.034 31.823 0.043 0.000 0.658 486 V HN 0.508 nan 8.190 nan 0.000 0.452 487 R N 0.093 120.605 120.500 0.020 0.000 2.075 487 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 487 R C 2.447 178.562 176.300 -0.308 0.000 1.126 487 R CA 1.419 57.486 56.100 -0.055 0.000 0.963 487 R CB -0.569 29.753 30.300 0.037 0.000 0.858 487 R HN 0.532 nan 8.270 nan 0.000 0.435 488 A N 1.148 123.755 122.820 -0.354 0.000 1.877 488 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 488 A C 2.144 179.455 177.584 -0.454 0.000 1.186 488 A CA 1.123 52.721 52.037 -0.731 0.000 0.620 488 A CB -0.503 18.079 19.000 -0.697 0.000 0.822 488 A HN 0.162 nan 8.150 nan 0.000 0.443 489 L N -0.915 120.174 121.223 -0.223 0.000 2.056 489 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 489 L C 2.362 179.153 176.870 -0.131 0.000 1.078 489 L CA 1.808 56.560 54.840 -0.147 0.000 0.749 489 L CB -0.707 41.311 42.059 -0.069 0.000 0.901 489 L HN 0.435 nan 8.230 nan 0.000 0.433 490 D N 0.193 120.520 120.400 -0.122 0.000 2.149 490 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 490 D C 2.161 178.396 176.300 -0.109 0.000 0.990 490 D CA 1.305 55.251 54.000 -0.090 0.000 0.839 490 D CB 0.197 40.955 40.800 -0.071 0.000 0.948 490 D HN 0.265 nan 8.370 nan 0.000 0.460 491 A N -0.078 122.623 122.820 -0.198 0.000 1.933 491 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 491 A C 2.087 179.579 177.584 -0.153 0.000 1.175 491 A CA 1.101 53.015 52.037 -0.205 0.000 0.628 491 A CB -0.792 17.983 19.000 -0.376 0.000 0.814 491 A HN 0.387 nan 8.150 nan 0.000 0.444 492 L N -0.123 120.986 121.223 -0.189 0.000 2.131 492 L HA -0.093 4.246 4.340 -0.000 0.000 0.210 492 L C 2.171 179.080 176.870 0.065 0.000 1.092 492 L CA 1.456 56.235 54.840 -0.103 0.000 0.759 492 L CB -0.457 41.499 42.059 -0.172 0.000 0.903 492 L HN 0.413 nan 8.230 nan 0.000 0.435 493 L N -0.622 120.632 121.223 0.051 0.000 2.079 493 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 493 L C 1.825 178.819 176.870 0.206 0.000 1.081 493 L CA 1.431 56.357 54.840 0.142 0.000 0.752 493 L CB -0.812 41.300 42.059 0.089 0.000 0.896 493 L HN 0.314 nan 8.230 nan 0.000 0.433 494 D N -1.773 118.706 120.400 0.132 0.000 2.355 494 D HA -0.134 4.506 4.640 -0.000 0.000 0.218 494 D C 1.613 178.012 176.300 0.165 0.000 1.004 494 D CA 0.778 54.857 54.000 0.132 0.000 0.880 494 D CB 0.235 41.069 40.800 0.058 0.000 0.911 494 D HN 0.389 nan 8.370 nan 0.000 0.528 495 Y N 1.415 121.729 120.300 0.022 0.000 2.524 495 Y HA 0.068 4.618 4.550 -0.001 0.000 0.270 495 Y C 1.077 177.013 175.900 0.059 0.000 1.094 495 Y CA -0.089 58.016 58.100 0.008 0.000 1.276 495 Y CB 0.393 38.830 38.460 -0.038 0.000 1.130 495 Y HN -0.132 nan 8.280 nan 0.000 0.536 496 Q N 0.569 120.452 119.800 0.137 0.000 2.249 496 Q HA 0.231 4.571 4.340 -0.000 0.000 0.226 496 Q C -0.945 174.878 176.000 -0.296 0.000 0.983 496 Q CA -0.791 55.029 55.803 0.027 0.000 0.930 496 Q CB 1.001 29.795 28.738 0.093 0.000 1.193 496 Q HN 0.080 nan 8.270 nan 0.000 0.508 497 D N -0.153 120.032 120.400 -0.359 0.000 2.340 497 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 497 D C -1.242 174.706 176.300 -0.587 0.000 1.080 497 D CA -0.104 53.685 54.000 -0.352 0.000 0.971 497 D CB 0.704 41.373 40.800 -0.218 0.000 1.137 497 D HN 0.434 nan 8.370 nan 0.000 0.475 498 Y N 0.545 120.839 120.300 -0.009 0.000 2.402 498 Y HA 0.225 4.774 4.550 -0.000 0.000 0.325 498 Y C -1.364 174.504 175.900 -0.052 0.000 1.009 498 Y CA -1.375 56.735 58.100 0.016 0.000 1.278 498 Y CB 1.778 40.258 38.460 0.034 0.000 1.105 498 Y HN 0.179 nan 8.280 nan 0.000 0.476 499 P HA 0.026 nan 4.420 nan 0.000 0.230 499 P C -0.036 177.208 177.300 -0.092 0.000 1.158 499 P CA 1.184 64.192 63.100 -0.155 0.000 0.769 499 P CB 1.172 32.645 31.700 -0.378 0.000 0.807 500 I N 0.253 120.825 120.570 0.003 0.000 2.478 500 I HA 0.216 4.385 4.170 -0.000 0.000 0.287 500 I C -1.901 174.273 176.117 0.095 0.000 1.042 500 I CA -2.638 58.694 61.300 0.054 0.000 1.067 500 I CB 1.931 39.998 38.000 0.111 0.000 1.233 500 I HN -0.332 nan 8.210 nan 0.000 0.431 501 P HA -0.178 nan 4.420 nan 0.000 0.216 501 P C 1.529 178.848 177.300 0.032 0.000 1.154 501 P CA 1.723 64.845 63.100 0.036 0.000 0.865 501 P CB 0.423 32.141 31.700 0.030 0.000 0.789 502 A N -0.509 122.345 122.820 0.057 0.000 2.019 502 A HA -0.084 4.235 4.320 -0.000 0.000 0.219 502 A C 2.261 179.877 177.584 0.054 0.000 1.164 502 A CA 1.927 54.000 52.037 0.059 0.000 0.644 502 A CB -1.419 17.621 19.000 0.066 0.000 0.805 502 A HN 0.222 nan 8.150 nan 0.000 0.449 503 A N 0.302 123.180 122.820 0.098 0.000 1.897 503 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 503 A C 2.038 179.606 177.584 -0.028 0.000 1.181 503 A CA 1.973 54.084 52.037 0.124 0.000 0.620 503 A CB -0.403 18.805 19.000 0.346 0.000 0.821 503 A HN 0.515 nan 8.150 nan 0.000 0.443 504 K N 0.071 120.377 120.400 -0.156 0.000 2.103 504 K HA -0.128 4.191 4.320 -0.000 0.000 0.207 504 K C 2.083 178.429 176.600 -0.424 0.000 1.048 504 K CA 1.569 57.488 56.287 -0.614 0.000 0.930 504 K CB -0.247 31.991 32.500 -0.436 0.000 0.716 504 K HN 0.377 nan 8.250 nan 0.000 0.444 505 R N -0.354 120.018 120.500 -0.213 0.000 2.073 505 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 505 R C 2.460 178.568 176.300 -0.321 0.000 1.134 505 R CA 1.566 57.552 56.100 -0.189 0.000 0.952 505 R CB -0.790 29.534 30.300 0.040 0.000 0.850 505 R HN 0.495 nan 8.270 nan 0.000 0.433 506 G N 0.505 109.211 108.800 -0.157 0.000 2.418 506 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 506 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 506 G C 1.514 176.287 174.900 -0.211 0.000 1.158 506 G CA 0.906 45.938 45.100 -0.113 0.000 0.771 506 G HN 0.428 nan 8.290 nan 0.000 0.545 507 A N 0.138 122.828 122.820 -0.218 0.000 1.898 507 A HA 0.199 4.519 4.320 -0.000 0.000 0.214 507 A C 2.397 179.831 177.584 -0.251 0.000 1.183 507 A CA 1.572 53.508 52.037 -0.169 0.000 0.622 507 A CB -0.228 18.727 19.000 -0.074 0.000 0.824 507 A HN 0.275 nan 8.150 nan 0.000 0.444 508 M N -0.340 119.030 119.600 -0.383 0.000 2.254 508 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 508 M C 2.240 178.233 176.300 -0.512 0.000 1.066 508 M CA 1.295 56.374 55.300 -0.368 0.000 1.123 508 M CB -1.701 30.691 32.600 -0.347 0.000 1.388 508 M HN 0.457 nan 8.290 nan 0.000 0.425 509 G N 0.762 109.033 108.800 -0.883 0.000 2.404 509 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 509 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 509 G C 1.786 176.313 174.900 -0.621 0.000 1.174 509 G CA 0.332 44.503 45.100 -1.548 0.000 0.780 509 G HN 0.456 nan 8.290 nan 0.000 0.537 510 R N -0.747 119.581 120.500 -0.287 0.000 2.307 510 R HA 0.252 4.592 4.340 -0.000 0.000 0.200 510 R C 0.446 176.783 176.300 0.061 0.000 0.893 510 R CA -0.323 55.812 56.100 0.060 0.000 1.042 510 R CB 0.303 30.729 30.300 0.210 0.000 1.059 510 R HN 0.121 nan 8.270 nan 0.000 0.530 511 R N 2.175 122.658 120.500 -0.028 0.000 3.225 511 R HA -0.120 4.220 4.340 -0.000 0.000 0.245 511 R C -0.598 175.730 176.300 0.046 0.000 0.928 511 R CA 1.047 57.145 56.100 -0.003 0.000 0.632 511 R CB -2.044 28.245 30.300 -0.019 0.000 1.038 511 R HN 0.378 nan 8.270 nan 0.000 0.461 512 T N -1.167 113.430 114.554 0.071 0.000 2.761 512 T HA 0.549 4.899 4.350 -0.000 0.000 0.296 512 T C 0.707 175.447 174.700 0.067 0.000 0.934 512 T CA -0.778 61.383 62.100 0.102 0.000 1.091 512 T CB 1.250 70.207 68.868 0.147 0.000 0.896 512 T HN 0.220 nan 8.240 nan 0.000 0.515 513 L N 2.400 123.656 121.223 0.055 0.000 2.332 513 L HA 0.821 5.160 4.340 -0.000 0.000 0.269 513 L C 0.770 177.662 176.870 0.037 0.000 1.016 513 L CA -1.253 53.607 54.840 0.032 0.000 0.809 513 L CB 1.790 43.856 42.059 0.013 0.000 1.280 513 L HN 0.927 nan 8.230 nan 0.000 0.447 514 G N 1.969 110.780 108.800 0.018 0.000 3.113 514 G HA2 0.575 4.535 3.960 -0.000 0.000 0.301 514 G HA3 0.575 4.535 3.960 -0.000 0.000 0.301 514 G C -0.944 173.946 174.900 -0.016 0.000 1.606 514 G CA -0.191 44.920 45.100 0.017 0.000 1.060 514 G HN 0.344 nan 8.290 nan 0.000 0.540 515 I N 2.362 122.912 120.570 -0.035 0.000 2.354 515 I HA 0.631 4.801 4.170 -0.000 0.000 0.292 515 I C 0.952 177.024 176.117 -0.074 0.000 0.989 515 I CA -0.500 60.723 61.300 -0.129 0.000 1.188 515 I CB 1.978 39.840 38.000 -0.230 0.000 1.342 515 I HN 0.440 nan 8.210 nan 0.000 0.457 516 G N 5.220 113.970 108.800 -0.083 0.000 3.234 516 G HA2 0.795 4.754 3.960 -0.000 0.000 0.159 516 G HA3 0.795 4.754 3.960 -0.000 0.000 0.159 516 G C -0.686 174.235 174.900 0.035 0.000 1.175 516 G CA -0.366 44.748 45.100 0.024 0.000 0.900 516 G HN 0.533 nan 8.290 nan 0.000 0.621 517 V N -1.502 118.467 119.914 0.092 0.000 3.114 517 V HA 0.854 4.973 4.120 -0.000 0.000 0.308 517 V C -0.496 175.681 176.094 0.139 0.000 1.168 517 V CA -1.002 61.367 62.300 0.116 0.000 1.015 517 V CB 1.453 33.342 31.823 0.110 0.000 1.050 517 V HN 1.176 nan 8.190 nan 0.000 0.433 518 I N -0.924 119.743 120.570 0.163 0.000 3.145 518 I HA 0.748 4.917 4.170 -0.000 0.000 0.313 518 I C 0.271 176.540 176.117 0.254 0.000 1.122 518 I CA -0.778 60.641 61.300 0.197 0.000 0.987 518 I CB 2.254 40.350 38.000 0.161 0.000 1.236 518 I HN 0.730 nan 8.210 nan 0.000 0.453 519 N N 0.701 119.581 118.700 0.300 0.000 2.776 519 N HA -0.258 4.481 4.740 -0.000 0.000 0.250 519 N C 0.085 175.863 175.510 0.446 0.000 1.112 519 N CA 1.126 54.404 53.050 0.380 0.000 0.733 519 N CB -1.204 37.516 38.487 0.388 0.000 1.097 519 N HN 0.844 nan 8.380 nan 0.000 0.558 520 F N 0.692 120.810 119.950 0.281 0.000 2.113 520 F HA 0.030 4.556 4.527 -0.001 0.000 0.297 520 F C 2.156 178.169 175.800 0.356 0.000 1.103 520 F CA 1.988 60.155 58.000 0.279 0.000 1.248 520 F CB -0.634 38.528 39.000 0.270 0.000 0.999 520 F HN 0.192 nan 8.300 nan 0.000 0.475 521 A N -0.223 122.842 122.820 0.409 0.000 1.892 521 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 521 A C 2.178 179.930 177.584 0.280 0.000 1.188 521 A CA 2.015 54.291 52.037 0.398 0.000 0.631 521 A CB -1.821 17.535 19.000 0.594 0.000 0.822 521 A HN 0.617 nan 8.150 nan 0.000 0.447 522 Y N -1.094 119.362 120.300 0.261 0.000 2.145 522 Y HA -0.275 4.274 4.550 -0.000 0.000 0.286 522 Y C 2.210 178.134 175.900 0.041 0.000 1.145 522 Y CA 1.688 59.881 58.100 0.154 0.000 1.148 522 Y CB -1.098 37.529 38.460 0.277 0.000 0.981 522 Y HN 0.448 nan 8.280 nan 0.000 0.507 523 Y N 0.264 120.461 120.300 -0.171 0.000 2.151 523 Y HA -0.299 4.251 4.550 -0.001 0.000 0.284 523 Y C 2.200 177.967 175.900 -0.222 0.000 1.166 523 Y CA 2.204 60.169 58.100 -0.226 0.000 1.163 523 Y CB -0.544 37.869 38.460 -0.078 0.000 0.974 523 Y HN 0.191 nan 8.280 nan 0.000 0.511 524 L N -0.666 120.381 121.223 -0.294 0.000 2.027 524 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 524 L C 2.810 179.499 176.870 -0.301 0.000 1.074 524 L CA 1.120 55.723 54.840 -0.394 0.000 0.745 524 L CB -1.116 40.625 42.059 -0.530 0.000 0.898 524 L HN 0.352 nan 8.230 nan 0.000 0.433 525 A N 1.313 123.951 122.820 -0.304 0.000 1.908 525 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 525 A C 2.216 179.590 177.584 -0.350 0.000 1.181 525 A CA 2.081 53.905 52.037 -0.355 0.000 0.627 525 A CB -0.478 18.118 19.000 -0.673 0.000 0.818 525 A HN 0.551 nan 8.150 nan 0.000 0.445 526 K N -1.484 118.655 120.400 -0.435 0.000 2.487 526 K HA -0.018 4.302 4.320 -0.000 0.000 0.192 526 K C 0.707 177.001 176.600 -0.510 0.000 1.027 526 K CA 1.248 57.264 56.287 -0.453 0.000 1.054 526 K CB -0.303 31.864 32.500 -0.555 0.000 0.824 526 K HN 0.573 nan 8.250 nan 0.000 0.510 527 H N 0.089 118.909 119.070 -0.418 0.000 2.586 527 H HA 0.216 4.772 4.556 -0.001 0.000 0.273 527 H C 0.592 175.765 175.328 -0.257 0.000 0.997 527 H CA 0.519 56.352 56.048 -0.360 0.000 1.177 527 H CB 1.190 30.671 29.762 -0.468 0.000 1.471 527 H HN 0.504 nan 8.280 nan 0.000 0.538 528 G N 1.197 109.902 108.800 -0.158 0.000 2.198 528 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.257 528 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.257 528 G C -0.111 174.730 174.900 -0.097 0.000 1.042 528 G CA 0.040 45.066 45.100 -0.123 0.000 0.791 528 G HN 0.148 nan 8.290 nan 0.000 0.502 529 K N -0.545 119.783 120.400 -0.120 0.000 2.258 529 K HA 0.781 5.101 4.320 -0.000 0.000 0.236 529 K C 0.709 177.253 176.600 -0.093 0.000 1.008 529 K CA -0.674 55.548 56.287 -0.108 0.000 0.869 529 K CB 1.444 33.857 32.500 -0.146 0.000 1.171 529 K HN 0.407 nan 8.250 nan 0.000 0.447 530 R N -0.308 120.159 120.500 -0.055 0.000 2.888 530 R HA 0.349 4.689 4.340 -0.000 0.000 0.264 530 R C 0.681 176.997 176.300 0.027 0.000 1.045 530 R CA -0.755 55.361 56.100 0.027 0.000 0.962 530 R CB 0.504 30.855 30.300 0.085 0.000 1.210 530 R HN 0.459 nan 8.270 nan 0.000 0.479 531 Y N 0.307 120.651 120.300 0.073 0.000 2.243 531 Y HA -0.153 4.397 4.550 0.000 0.000 0.293 531 Y C 2.505 178.468 175.900 0.105 0.000 1.124 531 Y CA 1.937 60.113 58.100 0.127 0.000 1.159 531 Y CB 0.214 38.783 38.460 0.180 0.000 1.008 531 Y HN 0.610 nan 8.280 nan 0.000 0.527 532 S N -0.983 114.864 115.700 0.246 0.000 2.528 532 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 532 S C 0.870 175.535 174.600 0.110 0.000 0.985 532 S CA 0.705 59.006 58.200 0.169 0.000 0.914 532 S CB -0.191 63.088 63.200 0.133 0.000 0.776 532 S HN 0.553 nan 8.310 nan 0.000 0.526 533 D N -0.564 119.888 120.400 0.086 0.000 2.469 533 D HA 0.301 4.941 4.640 -0.000 0.000 0.215 533 D C 1.344 177.663 176.300 0.033 0.000 1.154 533 D CA 0.368 54.401 54.000 0.055 0.000 0.832 533 D CB -0.283 40.545 40.800 0.047 0.000 1.008 533 D HN 0.448 nan 8.370 nan 0.000 0.506 534 G N 0.956 109.772 108.800 0.026 0.000 2.205 534 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.261 534 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.261 534 G C 1.281 176.177 174.900 -0.007 0.000 0.980 534 G CA 0.935 46.034 45.100 -0.001 0.000 0.632 534 G HN 0.732 nan 8.290 nan 0.000 0.533 535 S N -0.103 115.595 115.700 -0.003 0.000 2.469 535 S HA 0.361 4.831 4.470 -0.000 0.000 0.238 535 S C 2.226 176.809 174.600 -0.028 0.000 0.998 535 S CA 1.399 59.590 58.200 -0.015 0.000 0.957 535 S CB -0.093 63.098 63.200 -0.015 0.000 0.764 535 S HN 1.748 nan 8.310 nan 0.000 0.514 536 A N 1.213 124.015 122.820 -0.029 0.000 2.267 536 A HA 0.289 4.609 4.320 -0.000 0.000 0.213 536 A C 1.791 179.387 177.584 0.020 0.000 1.192 536 A CA 0.219 52.236 52.037 -0.034 0.000 0.851 536 A CB -0.418 18.534 19.000 -0.081 0.000 0.881 536 A HN 0.469 nan 8.150 nan 0.000 0.494 537 N N 1.684 120.389 118.700 0.008 0.000 2.018 537 N HA -0.173 4.567 4.740 -0.000 0.000 0.196 537 N C 1.364 176.910 175.510 0.061 0.000 1.043 537 N CA 1.887 54.946 53.050 0.016 0.000 0.856 537 N CB -0.353 38.116 38.487 -0.029 0.000 1.042 537 N HN 0.440 nan 8.380 nan 0.000 0.423 538 N N 0.340 119.062 118.700 0.036 0.000 2.188 538 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 538 N C 1.710 177.291 175.510 0.119 0.000 1.018 538 N CA 0.329 53.412 53.050 0.056 0.000 0.858 538 N CB -0.510 37.983 38.487 0.010 0.000 0.989 538 N HN 0.167 nan 8.380 nan 0.000 0.426 539 L N 1.340 122.609 121.223 0.078 0.000 2.042 539 L HA -0.104 4.235 4.340 -0.000 0.000 0.210 539 L C 1.904 178.893 176.870 0.198 0.000 1.076 539 L CA 1.727 56.612 54.840 0.076 0.000 0.749 539 L CB -1.135 40.902 42.059 -0.038 0.000 0.893 539 L HN 0.080 nan 8.230 nan 0.000 0.432 540 T N -1.444 113.262 114.554 0.253 0.000 2.777 540 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 540 T C 1.804 176.730 174.700 0.376 0.000 1.040 540 T CA 1.373 63.710 62.100 0.395 0.000 1.141 540 T CB -0.465 68.587 68.868 0.305 0.000 0.868 540 T HN 0.509 nan 8.240 nan 0.000 0.444 541 H N 1.678 120.859 119.070 0.185 0.000 2.267 541 H HA -0.084 4.472 4.556 -0.000 0.000 0.297 541 H C 2.491 177.864 175.328 0.075 0.000 1.080 541 H CA 2.131 58.286 56.048 0.179 0.000 1.278 541 H CB -0.186 29.652 29.762 0.126 0.000 1.365 541 H HN 0.298 nan 8.280 nan 0.000 0.489 542 K N -0.322 120.238 120.400 0.267 0.000 2.074 542 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 542 K C 2.135 178.786 176.600 0.085 0.000 1.048 542 K CA 1.997 58.412 56.287 0.214 0.000 0.926 542 K CB -0.020 32.624 32.500 0.240 0.000 0.713 542 K HN 0.238 nan 8.250 nan 0.000 0.444 543 T N 0.238 114.843 114.554 0.084 0.000 2.737 543 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 543 T C 1.485 176.023 174.700 -0.270 0.000 1.038 543 T CA 1.487 63.553 62.100 -0.056 0.000 1.144 543 T CB -0.277 68.578 68.868 -0.022 0.000 0.866 543 T HN 0.188 nan 8.240 nan 0.000 0.434 544 F N 1.173 120.992 119.950 -0.219 0.000 2.367 544 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 544 F C 2.495 177.900 175.800 -0.658 0.000 1.094 544 F CA 0.455 58.273 58.000 -0.303 0.000 1.409 544 F CB -0.161 38.751 39.000 -0.146 0.000 1.064 544 F HN 0.166 nan 8.300 nan 0.000 0.528 545 E N 0.770 120.370 120.200 -1.000 0.000 2.058 545 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 545 E C 2.357 178.818 176.600 -0.232 0.000 0.997 545 E CA 1.264 57.105 56.400 -0.931 0.000 0.801 545 E CB -0.143 29.230 29.700 -0.545 0.000 0.746 545 E HN 0.339 nan 8.360 nan 0.000 0.450 546 A N 0.939 123.642 122.820 -0.194 0.000 1.933 546 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 546 A C 2.156 179.631 177.584 -0.181 0.000 1.175 546 A CA 1.110 52.987 52.037 -0.265 0.000 0.628 546 A CB -0.502 18.494 19.000 -0.008 0.000 0.814 546 A HN 0.305 nan 8.150 nan 0.000 0.444 547 I N -1.129 119.346 120.570 -0.157 0.000 2.113 547 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 547 I C 2.788 178.932 176.117 0.045 0.000 1.070 547 I CA 1.806 63.060 61.300 -0.077 0.000 1.332 547 I CB -0.334 37.600 38.000 -0.110 0.000 1.044 547 I HN 0.338 nan 8.210 nan 0.000 0.402 548 Q N 0.348 120.213 119.800 0.108 0.000 2.084 548 Q HA -0.267 4.072 4.340 -0.000 0.000 0.202 548 Q C 2.055 178.098 176.000 0.071 0.000 0.978 548 Q CA 1.942 57.883 55.803 0.231 0.000 0.844 548 Q CB -0.633 28.410 28.738 0.508 0.000 0.898 548 Q HN 0.559 nan 8.270 nan 0.000 0.426 549 Y N -0.634 119.506 120.300 -0.267 0.000 2.089 549 Y HA -0.310 4.240 4.550 -0.001 0.000 0.282 549 Y C 1.684 177.243 175.900 -0.569 0.000 1.139 549 Y CA 2.096 59.739 58.100 -0.762 0.000 1.123 549 Y CB -0.568 37.188 38.460 -1.174 0.000 0.980 549 Y HN 0.176 nan 8.280 nan 0.000 0.493 550 Y N 0.192 120.309 120.300 -0.304 0.000 2.224 550 Y HA -0.245 4.304 4.550 -0.001 0.000 0.289 550 Y C 2.466 178.225 175.900 -0.235 0.000 1.146 550 Y CA 1.521 59.434 58.100 -0.311 0.000 1.182 550 Y CB -0.921 37.403 38.460 -0.227 0.000 0.983 550 Y HN 0.182 nan 8.280 nan 0.000 0.524 551 L N -0.861 120.375 121.223 0.022 0.000 1.989 551 L HA -0.277 4.062 4.340 -0.000 0.000 0.211 551 L C 2.351 179.176 176.870 -0.075 0.000 1.071 551 L CA 1.395 56.261 54.840 0.043 0.000 0.749 551 L CB -0.824 41.304 42.059 0.115 0.000 0.890 551 L HN 0.233 nan 8.230 nan 0.000 0.431 552 L N -0.253 120.875 121.223 -0.159 0.000 2.079 552 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 552 L C 2.693 179.381 176.870 -0.304 0.000 1.081 552 L CA 1.419 56.113 54.840 -0.244 0.000 0.752 552 L CB -0.482 41.424 42.059 -0.255 0.000 0.896 552 L HN 0.284 nan 8.230 nan 0.000 0.433 553 K N 0.314 120.461 120.400 -0.421 0.000 2.026 553 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 553 K C 2.157 178.637 176.600 -0.199 0.000 1.048 553 K CA 1.381 57.434 56.287 -0.390 0.000 0.929 553 K CB -0.124 32.062 32.500 -0.524 0.000 0.713 553 K HN 0.248 nan 8.250 nan 0.000 0.439 554 A N 0.320 123.066 122.820 -0.123 0.000 1.883 554 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 554 A C 2.243 179.788 177.584 -0.064 0.000 1.186 554 A CA 2.226 54.232 52.037 -0.052 0.000 0.624 554 A CB -1.000 18.004 19.000 0.006 0.000 0.822 554 A HN 0.432 nan 8.150 nan 0.000 0.444 555 S N -0.515 115.131 115.700 -0.090 0.000 2.383 555 S HA -0.165 4.304 4.470 -0.000 0.000 0.227 555 S C 2.067 176.589 174.600 -0.131 0.000 1.026 555 S CA 1.231 59.372 58.200 -0.098 0.000 0.981 555 S CB -0.627 62.505 63.200 -0.112 0.000 0.818 555 S HN 0.728 nan 8.310 nan 0.000 0.472 556 N N 0.465 119.067 118.700 -0.162 0.000 2.061 556 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 556 N C 1.665 177.088 175.510 -0.145 0.000 1.030 556 N CA 1.631 54.581 53.050 -0.167 0.000 0.856 556 N CB -0.176 38.204 38.487 -0.178 0.000 1.023 556 N HN 0.550 nan 8.380 nan 0.000 0.424 557 E N 0.299 120.424 120.200 -0.126 0.000 2.077 557 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 557 E C 2.031 178.582 176.600 -0.082 0.000 0.989 557 E CA 0.675 57.011 56.400 -0.106 0.000 0.800 557 E CB -0.107 29.553 29.700 -0.067 0.000 0.746 557 E HN 0.237 nan 8.360 nan 0.000 0.452 558 L N 0.894 122.080 121.223 -0.062 0.000 2.127 558 L HA -0.159 4.180 4.340 -0.000 0.000 0.211 558 L C 2.128 178.953 176.870 -0.075 0.000 1.089 558 L CA 1.825 56.634 54.840 -0.051 0.000 0.757 558 L CB -0.542 41.495 42.059 -0.038 0.000 0.899 558 L HN 0.045 nan 8.230 nan 0.000 0.434 559 A N -0.746 122.015 122.820 -0.098 0.000 1.902 559 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 559 A C 2.303 179.845 177.584 -0.070 0.000 1.181 559 A CA 1.824 53.798 52.037 -0.105 0.000 0.623 559 A CB -0.466 18.436 19.000 -0.162 0.000 0.818 559 A HN 0.492 nan 8.150 nan 0.000 0.443 560 K N -0.665 119.685 120.400 -0.082 0.000 2.103 560 K HA -0.185 4.134 4.320 -0.000 0.000 0.207 560 K C 2.042 178.611 176.600 -0.052 0.000 1.048 560 K CA 1.600 57.842 56.287 -0.075 0.000 0.930 560 K CB -0.075 32.299 32.500 -0.210 0.000 0.716 560 K HN 0.716 nan 8.250 nan 0.000 0.444 561 E N 0.314 120.477 120.200 -0.062 0.000 2.190 561 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 561 E C 1.215 177.775 176.600 -0.067 0.000 0.978 561 E CA 0.657 57.023 56.400 -0.058 0.000 0.839 561 E CB 0.473 30.142 29.700 -0.052 0.000 0.787 561 E HN 0.278 nan 8.360 nan 0.000 0.473 562 Q N -1.033 118.725 119.800 -0.070 0.000 2.089 562 Q HA 0.247 4.587 4.340 -0.000 0.000 0.227 562 Q C -0.371 175.591 176.000 -0.062 0.000 0.774 562 Q CA 0.227 55.984 55.803 -0.077 0.000 0.960 562 Q CB 2.361 31.039 28.738 -0.100 0.000 1.179 562 Q HN 0.215 nan 8.270 nan 0.000 0.460 563 G N 1.694 110.460 108.800 -0.057 0.000 2.907 563 G HA2 0.056 4.016 3.960 -0.000 0.000 0.686 563 G HA3 0.056 4.016 3.960 -0.000 0.000 0.686 563 G C -0.294 174.565 174.900 -0.069 0.000 1.115 563 G CA -0.528 44.541 45.100 -0.051 0.000 0.760 563 G HN 0.337 nan 8.290 nan 0.000 0.620 564 A N 1.579 124.343 122.820 -0.094 0.000 2.492 564 A HA 0.532 4.852 4.320 -0.000 0.000 0.236 564 A C 1.740 179.309 177.584 -0.026 0.000 1.078 564 A CA 0.698 52.655 52.037 -0.133 0.000 0.773 564 A CB -0.350 18.494 19.000 -0.260 0.000 1.023 564 A HN 2.563 nan 8.150 nan 0.000 0.504 565 C N 0.813 120.126 119.300 0.023 0.000 2.657 565 C HA 0.346 4.806 4.460 -0.000 0.000 0.420 565 C C -0.941 174.114 174.990 0.108 0.000 1.323 565 C CA -0.951 58.095 59.018 0.047 0.000 1.894 565 C CB -0.394 27.388 27.740 0.070 0.000 2.681 565 C HN 0.713 nan 8.230 nan 0.000 0.613 566 P HA -0.148 nan 4.420 nan 0.000 0.220 566 P C 0.681 178.206 177.300 0.375 0.000 1.155 566 P CA 2.085 65.246 63.100 0.101 0.000 0.880 566 P CB -0.079 31.544 31.700 -0.129 0.000 0.790 567 W N -2.522 118.849 121.300 0.119 0.000 3.194 567 W HA 0.344 5.003 4.660 -0.001 0.000 0.408 567 W C 1.382 178.001 176.519 0.167 0.000 1.072 567 W CA -1.405 56.011 57.345 0.119 0.000 1.953 567 W CB -1.733 27.780 29.460 0.088 0.000 1.091 567 W HN -0.070 nan 8.180 nan 0.000 0.699 568 F N 3.365 123.466 119.950 0.252 0.000 2.115 568 F HA -0.349 4.177 4.527 -0.000 0.000 0.300 568 F C 2.149 178.051 175.800 0.169 0.000 1.092 568 F CA 2.329 60.438 58.000 0.181 0.000 1.245 568 F CB -0.433 38.636 39.000 0.114 0.000 0.995 568 F HN -0.033 nan 8.300 nan 0.000 0.481 569 N N 0.586 119.337 118.700 0.084 0.000 2.586 569 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 569 N C 1.122 176.578 175.510 -0.090 0.000 1.085 569 N CA 1.576 54.599 53.050 -0.046 0.000 0.921 569 N CB -0.801 37.727 38.487 0.069 0.000 0.954 569 N HN 0.573 nan 8.380 nan 0.000 0.448 570 E N 0.088 120.271 120.200 -0.030 0.000 2.472 570 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 570 E C 0.101 176.721 176.600 0.034 0.000 1.033 570 E CA 0.051 56.463 56.400 0.019 0.000 0.886 570 E CB 0.435 30.184 29.700 0.082 0.000 0.944 570 E HN 0.518 nan 8.360 nan 0.000 0.492 571 T N -1.569 112.911 114.554 -0.123 0.000 2.913 571 T HA 0.065 4.414 4.350 -0.000 0.000 0.287 571 T C 1.514 176.068 174.700 -0.243 0.000 1.008 571 T CA -0.211 61.771 62.100 -0.197 0.000 1.067 571 T CB 1.574 70.286 68.868 -0.259 0.000 0.996 571 T HN -0.008 nan 8.240 nan 0.000 0.513 572 T N -0.889 113.518 114.554 -0.246 0.000 2.929 572 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 572 T C 1.389 175.954 174.700 -0.224 0.000 1.085 572 T CA 0.810 62.769 62.100 -0.234 0.000 1.125 572 T CB -0.886 67.820 68.868 -0.270 0.000 0.874 572 T HN 0.652 nan 8.240 nan 0.000 0.494 573 Y N 2.077 122.283 120.300 -0.156 0.000 2.256 573 Y HA 0.145 4.695 4.550 -0.001 0.000 0.288 573 Y C 2.938 178.826 175.900 -0.020 0.000 1.155 573 Y CA 0.364 58.450 58.100 -0.022 0.000 1.203 573 Y CB -0.932 37.604 38.460 0.127 0.000 0.980 573 Y HN 0.356 nan 8.280 nan 0.000 0.530 574 A N 0.033 122.681 122.820 -0.286 0.000 1.969 574 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 574 A C 1.881 179.476 177.584 0.019 0.000 1.169 574 A CA 1.292 53.178 52.037 -0.251 0.000 0.635 574 A CB -0.404 18.242 19.000 -0.589 0.000 0.810 574 A HN 0.378 nan 8.150 nan 0.000 0.445 575 K N -0.899 119.487 120.400 -0.023 0.000 2.469 575 K HA 0.263 4.582 4.320 -0.000 0.000 0.201 575 K C 0.932 177.559 176.600 0.045 0.000 1.028 575 K CA 0.370 56.661 56.287 0.008 0.000 1.170 575 K CB -0.153 32.331 32.500 -0.025 0.000 0.874 575 K HN 0.576 nan 8.250 nan 0.000 0.507 576 G N 1.797 110.657 108.800 0.100 0.000 2.166 576 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.260 576 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.260 576 G C 0.164 175.126 174.900 0.104 0.000 0.986 576 G CA 0.063 45.240 45.100 0.129 0.000 0.683 576 G HN 0.322 nan 8.290 nan 0.000 0.527 577 I N 0.598 121.193 120.570 0.040 0.000 2.395 577 I HA 0.492 4.662 4.170 -0.000 0.000 0.289 577 I C 0.800 176.886 176.117 -0.051 0.000 1.023 577 I CA -0.520 60.772 61.300 -0.014 0.000 1.350 577 I CB 0.994 38.949 38.000 -0.074 0.000 1.409 577 I HN 0.005 nan 8.210 nan 0.000 0.507 578 L N 7.625 128.854 121.223 0.010 0.000 2.303 578 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 578 L C -1.516 175.345 176.870 -0.015 0.000 1.011 578 L CA -1.537 53.341 54.840 0.065 0.000 0.818 578 L CB 1.706 43.933 42.059 0.280 0.000 1.326 578 L HN 0.353 nan 8.230 nan 0.000 0.435 579 P HA -0.162 nan 4.420 nan 0.000 0.219 579 P C 1.409 178.713 177.300 0.008 0.000 1.146 579 P CA 1.387 64.514 63.100 0.046 0.000 0.808 579 P CB -0.014 31.728 31.700 0.071 0.000 0.779 580 I N -3.008 117.443 120.570 -0.197 0.000 2.916 580 I HA -0.068 4.102 4.170 -0.000 0.000 0.267 580 I C 0.849 176.985 176.117 0.032 0.000 1.263 580 I CA 1.370 62.531 61.300 -0.231 0.000 1.471 580 I CB -0.699 36.980 38.000 -0.534 0.000 1.089 580 I HN -0.237 nan 8.210 nan 0.000 0.468 581 D N 1.301 121.703 120.400 0.004 0.000 2.346 581 D HA -0.025 4.615 4.640 -0.000 0.000 0.206 581 D C 1.838 178.074 176.300 -0.106 0.000 1.001 581 D CA 1.552 55.532 54.000 -0.033 0.000 0.871 581 D CB 0.282 41.068 40.800 -0.023 0.000 0.943 581 D HN 0.587 nan 8.370 nan 0.000 0.518 582 T N -2.140 112.381 114.554 -0.056 0.000 3.043 582 T HA 0.090 4.440 4.350 -0.000 0.000 0.272 582 T C 0.721 175.253 174.700 -0.281 0.000 0.990 582 T CA -0.693 61.351 62.100 -0.093 0.000 0.897 582 T CB -0.671 68.245 68.868 0.080 0.000 1.111 582 T HN 0.123 nan 8.240 nan 0.000 0.529 583 Y N 1.490 121.497 120.300 -0.489 0.000 2.457 583 Y HA 0.593 5.143 4.550 -0.001 0.000 0.341 583 Y C 0.477 176.085 175.900 -0.487 0.000 1.240 583 Y CA -1.841 55.761 58.100 -0.830 0.000 1.437 583 Y CB 0.458 38.503 38.460 -0.692 0.000 1.328 583 Y HN -0.187 nan 8.280 nan 0.000 0.588 584 K N 3.045 123.219 120.400 -0.376 0.000 2.430 584 K HA -0.006 4.314 4.320 -0.000 0.000 0.280 584 K C 0.568 177.072 176.600 -0.161 0.000 1.063 584 K CA 0.448 56.553 56.287 -0.302 0.000 1.071 584 K CB 0.427 32.714 32.500 -0.355 0.000 0.899 584 K HN 0.842 nan 8.250 nan 0.000 0.473 585 K N 2.548 122.793 120.400 -0.259 0.000 2.147 585 K HA -0.152 4.167 4.320 -0.000 0.000 0.205 585 K C 0.670 177.272 176.600 0.003 0.000 1.049 585 K CA 1.619 57.791 56.287 -0.190 0.000 0.936 585 K CB 0.099 32.475 32.500 -0.207 0.000 0.722 585 K HN 0.643 nan 8.250 nan 0.000 0.446 586 D N 1.199 121.588 120.400 -0.020 0.000 2.228 586 D HA -0.180 4.460 4.640 -0.000 0.000 0.203 586 D C 1.702 178.123 176.300 0.202 0.000 0.988 586 D CA 0.841 54.862 54.000 0.035 0.000 0.864 586 D CB -0.227 40.505 40.800 -0.114 0.000 0.928 586 D HN 0.190 nan 8.370 nan 0.000 0.469 587 L N 0.745 122.099 121.223 0.218 0.000 2.081 587 L HA -0.224 4.115 4.340 -0.000 0.000 0.212 587 L C 1.848 178.779 176.870 0.102 0.000 1.080 587 L CA 1.152 56.096 54.840 0.174 0.000 0.754 587 L CB -0.442 41.664 42.059 0.079 0.000 0.893 587 L HN -0.040 nan 8.230 nan 0.000 0.433 588 D N -0.432 120.046 120.400 0.129 0.000 2.190 588 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 588 D C 2.237 178.561 176.300 0.039 0.000 0.992 588 D CA 1.969 56.008 54.000 0.066 0.000 0.854 588 D CB -0.316 40.532 40.800 0.080 0.000 0.936 588 D HN 0.447 nan 8.370 nan 0.000 0.462 589 T N -1.204 113.396 114.554 0.078 0.000 3.072 589 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 589 T C 1.834 176.572 174.700 0.064 0.000 1.127 589 T CA 0.499 62.644 62.100 0.075 0.000 1.107 589 T CB -0.446 68.486 68.868 0.107 0.000 0.910 589 T HN 0.431 nan 8.240 nan 0.000 0.513 590 I N -2.163 118.432 120.570 0.041 0.000 4.154 590 I HA 0.788 4.958 4.170 -0.000 0.000 0.334 590 I C 0.369 176.445 176.117 -0.068 0.000 1.371 590 I CA -1.088 60.191 61.300 -0.035 0.000 1.110 590 I CB 0.322 38.222 38.000 -0.167 0.000 1.085 590 I HN 0.259 nan 8.210 nan 0.000 0.398 591 A N 2.292 125.071 122.820 -0.069 0.000 2.612 591 A HA 0.679 4.999 4.320 -0.000 0.000 0.293 591 A C -0.927 176.570 177.584 -0.145 0.000 1.075 591 A CA -0.451 51.521 52.037 -0.108 0.000 0.680 591 A CB 0.998 19.921 19.000 -0.128 0.000 1.279 591 A HN 0.325 nan 8.150 nan 0.000 0.411 592 N N 0.019 118.620 118.700 -0.165 0.000 2.301 592 N HA 0.170 4.910 4.740 -0.000 0.000 0.247 592 N C -0.536 174.854 175.510 -0.200 0.000 1.347 592 N CA -0.243 52.707 53.050 -0.166 0.000 0.844 592 N CB 0.346 38.779 38.487 -0.090 0.000 1.332 592 N HN 0.584 nan 8.380 nan 0.000 0.494 593 E N 2.895 122.918 120.200 -0.295 0.000 2.465 593 E HA 0.174 4.524 4.350 -0.000 0.000 0.260 593 E C -2.018 174.402 176.600 -0.301 0.000 0.980 593 E CA -1.101 55.152 56.400 -0.245 0.000 0.927 593 E CB 0.691 30.285 29.700 -0.177 0.000 0.934 593 E HN 0.295 nan 8.360 nan 0.000 0.459 594 P HA 0.104 nan 4.420 nan 0.000 0.276 594 P C -0.571 176.528 177.300 -0.334 0.000 1.252 594 P CA -0.311 62.649 63.100 -0.234 0.000 0.802 594 P CB 0.580 32.171 31.700 -0.182 0.000 1.035 595 L N 2.381 123.517 121.223 -0.145 0.000 2.410 595 L HA 0.116 4.456 4.340 -0.000 0.000 0.273 595 L C 1.729 178.489 176.870 -0.184 0.000 1.144 595 L CA -0.262 54.544 54.840 -0.057 0.000 0.863 595 L CB -0.119 42.005 42.059 0.108 0.000 1.140 595 L HN 0.460 nan 8.230 nan 0.000 0.463 596 H N 2.176 121.248 119.070 0.004 0.000 2.592 596 H HA 0.155 4.710 4.556 -0.000 0.000 0.265 596 H C -0.392 174.637 175.328 -0.498 0.000 0.955 596 H CA 0.227 56.113 56.048 -0.270 0.000 1.175 596 H CB 0.259 29.760 29.762 -0.435 0.000 1.433 596 H HN 0.416 nan 8.280 nan 0.000 0.537 597 Y N 0.512 120.776 120.300 -0.060 0.000 2.496 597 Y HA 0.191 4.741 4.550 -0.000 0.000 0.331 597 Y C 0.581 176.352 175.900 -0.215 0.000 1.140 597 Y CA -1.198 56.639 58.100 -0.437 0.000 1.166 597 Y CB 1.118 38.802 38.460 -1.293 0.000 1.249 597 Y HN -0.145 nan 8.280 nan 0.000 0.479 598 D N 1.289 121.626 120.400 -0.104 0.000 2.558 598 D HA 0.033 4.672 4.640 -0.000 0.000 0.221 598 D C 0.020 176.433 176.300 0.188 0.000 1.143 598 D CA -0.100 53.955 54.000 0.092 0.000 1.010 598 D CB -0.176 40.677 40.800 0.089 0.000 1.068 598 D HN 0.502 nan 8.370 nan 0.000 0.511 599 W N 1.409 122.820 121.300 0.185 0.000 2.374 599 W HA -0.084 4.575 4.660 -0.001 0.000 0.288 599 W C 2.013 178.639 176.519 0.178 0.000 1.218 599 W CA 0.197 57.683 57.345 0.234 0.000 1.245 599 W CB 0.192 29.775 29.460 0.206 0.000 1.126 599 W HN 0.318 nan 8.180 nan 0.000 0.545 600 E N -0.011 120.389 120.200 0.333 0.000 2.072 600 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 600 E C 2.283 178.987 176.600 0.173 0.000 0.985 600 E CA 1.466 58.000 56.400 0.223 0.000 0.801 600 E CB -1.101 28.699 29.700 0.166 0.000 0.750 600 E HN 0.239 nan 8.360 nan 0.000 0.452 601 A N 1.278 124.190 122.820 0.154 0.000 1.933 601 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 601 A C 2.260 179.905 177.584 0.102 0.000 1.175 601 A CA 1.311 53.417 52.037 0.116 0.000 0.628 601 A CB -0.569 18.493 19.000 0.103 0.000 0.814 601 A HN 0.242 nan 8.150 nan 0.000 0.444 602 L N -0.260 121.028 121.223 0.109 0.000 2.056 602 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 602 L C 2.418 179.345 176.870 0.096 0.000 1.078 602 L CA 2.232 57.090 54.840 0.031 0.000 0.749 602 L CB -0.611 41.394 42.059 -0.089 0.000 0.901 602 L HN 0.452 nan 8.230 nan 0.000 0.433 603 R N -0.561 120.048 120.500 0.182 0.000 2.113 603 R HA -0.220 4.120 4.340 -0.000 0.000 0.244 603 R C 2.102 178.495 176.300 0.156 0.000 1.142 603 R CA 2.009 58.231 56.100 0.203 0.000 0.953 603 R CB -0.192 30.238 30.300 0.216 0.000 0.860 603 R HN 0.431 nan 8.270 nan 0.000 0.438 604 E N -0.142 120.135 120.200 0.128 0.000 2.072 604 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 604 E C 1.956 178.623 176.600 0.111 0.000 0.985 604 E CA 1.024 57.490 56.400 0.109 0.000 0.801 604 E CB -0.481 29.275 29.700 0.093 0.000 0.750 604 E HN 0.209 nan 8.360 nan 0.000 0.452 605 S N 0.194 115.959 115.700 0.107 0.000 2.419 605 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 605 S C 1.983 176.655 174.600 0.120 0.000 1.019 605 S CA 0.616 58.892 58.200 0.127 0.000 0.982 605 S CB -0.113 63.115 63.200 0.046 0.000 0.789 605 S HN 0.155 nan 8.310 nan 0.000 0.490 606 I N 0.772 121.398 120.570 0.093 0.000 2.277 606 I HA -0.102 4.068 4.170 -0.000 0.000 0.243 606 I C 2.431 178.638 176.117 0.150 0.000 1.094 606 I CA 0.867 62.224 61.300 0.095 0.000 1.393 606 I CB -0.226 37.868 38.000 0.156 0.000 1.078 606 I HN 0.144 nan 8.210 nan 0.000 0.417 607 K N 0.139 120.644 120.400 0.175 0.000 2.113 607 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 607 K C 2.050 178.706 176.600 0.093 0.000 1.047 607 K CA 1.906 58.294 56.287 0.169 0.000 0.928 607 K CB -0.414 32.161 32.500 0.124 0.000 0.716 607 K HN 0.363 nan 8.250 nan 0.000 0.446 608 T N -0.429 114.140 114.554 0.025 0.000 2.814 608 T HA -0.036 4.314 4.350 -0.000 0.000 0.254 608 T C 1.377 175.906 174.700 -0.285 0.000 1.037 608 T CA 1.106 63.125 62.100 -0.136 0.000 1.143 608 T CB -0.096 68.662 68.868 -0.182 0.000 0.866 608 T HN 0.332 nan 8.240 nan 0.000 0.431 609 H N -0.055 118.974 119.070 -0.069 0.000 2.592 609 H HA 0.479 5.035 4.556 -0.000 0.000 0.265 609 H C 1.319 176.479 175.328 -0.280 0.000 0.955 609 H CA 0.251 56.221 56.048 -0.131 0.000 1.175 609 H CB 0.048 29.744 29.762 -0.109 0.000 1.433 609 H HN 0.536 nan 8.280 nan 0.000 0.537 610 G N 0.374 108.973 108.800 -0.335 0.000 2.750 610 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.228 610 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.228 610 G C -0.827 173.632 174.900 -0.735 0.000 1.367 610 G CA -0.415 44.052 45.100 -1.055 0.000 0.871 610 G HN 0.207 nan 8.290 nan 0.000 0.560 611 L N -0.470 120.210 121.223 -0.906 0.000 2.346 611 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 611 L C 1.504 178.237 176.870 -0.229 0.000 1.007 611 L CA -0.957 53.669 54.840 -0.357 0.000 0.818 611 L CB 1.833 43.777 42.059 -0.190 0.000 1.284 611 L HN 0.684 nan 8.230 nan 0.000 0.424 612 R N 1.811 122.223 120.500 -0.147 0.000 2.127 612 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 612 R C -0.291 175.991 176.300 -0.030 0.000 1.134 612 R CA 1.417 57.467 56.100 -0.084 0.000 0.975 612 R CB -0.234 30.022 30.300 -0.073 0.000 0.865 612 R HN 0.718 nan 8.270 nan 0.000 0.447 613 N N -1.409 117.278 118.700 -0.021 0.000 2.296 613 N HA 0.212 4.951 4.740 -0.000 0.000 0.294 613 N C -0.374 175.175 175.510 0.064 0.000 1.033 613 N CA -0.294 52.771 53.050 0.025 0.000 0.839 613 N CB 2.282 40.772 38.487 0.004 0.000 1.395 613 N HN -0.169 nan 8.380 nan 0.000 0.479 614 S N -0.249 115.534 115.700 0.138 0.000 2.402 614 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 614 S C 0.874 175.506 174.600 0.054 0.000 1.021 614 S CA 0.990 59.284 58.200 0.156 0.000 0.974 614 S CB -0.145 63.238 63.200 0.306 0.000 0.800 614 S HN 0.829 nan 8.310 nan 0.000 0.484 615 T N -1.760 112.849 114.554 0.092 0.000 2.906 615 T HA 0.724 5.074 4.350 -0.000 0.000 0.295 615 T C 0.175 174.914 174.700 0.065 0.000 1.061 615 T CA -0.797 61.352 62.100 0.082 0.000 1.000 615 T CB 1.704 70.649 68.868 0.128 0.000 1.103 615 T HN -0.039 nan 8.240 nan 0.000 0.486 616 L N 1.174 122.436 121.223 0.066 0.000 2.730 616 L HA 0.362 4.702 4.340 -0.000 0.000 0.236 616 L C 0.905 177.814 176.870 0.065 0.000 1.061 616 L CA -0.057 54.814 54.840 0.053 0.000 0.898 616 L CB 0.634 42.716 42.059 0.038 0.000 1.270 616 L HN 0.903 nan 8.230 nan 0.000 0.500 617 S N -0.029 115.726 115.700 0.092 0.000 2.513 617 S HA 0.891 5.361 4.470 -0.000 0.000 0.299 617 S C -0.532 174.120 174.600 0.086 0.000 1.087 617 S CA -0.340 57.922 58.200 0.103 0.000 1.012 617 S CB 2.543 65.841 63.200 0.164 0.000 1.044 617 S HN 0.117 nan 8.310 nan 0.000 0.485 618 A N 2.703 125.565 122.820 0.070 0.000 2.513 618 A HA 0.596 4.916 4.320 -0.000 0.000 0.296 618 A C -1.115 176.498 177.584 0.049 0.000 1.052 618 A CA -0.786 51.282 52.037 0.052 0.000 0.714 618 A CB 0.931 19.953 19.000 0.037 0.000 1.279 618 A HN 0.889 nan 8.150 nan 0.000 0.397 619 L N 4.609 125.857 121.223 0.040 0.000 2.315 619 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 619 L C 0.423 177.305 176.870 0.021 0.000 1.088 619 L CA -0.480 54.384 54.840 0.040 0.000 0.899 619 L CB 0.522 42.593 42.059 0.021 0.000 1.277 619 L HN 0.829 nan 8.230 nan 0.000 0.431 620 M N 3.171 122.786 119.600 0.026 0.000 2.368 620 M HA 0.655 5.135 4.480 -0.000 0.000 0.311 620 M C -2.688 173.629 176.300 0.027 0.000 1.168 620 M CA -2.049 53.260 55.300 0.015 0.000 1.044 620 M CB 0.259 32.869 32.600 0.017 0.000 1.506 620 M HN 0.021 nan 8.290 nan 0.000 0.475 621 P HA 0.303 nan 4.420 nan 0.000 0.276 621 P C -0.731 176.604 177.300 0.060 0.000 1.252 621 P CA -0.302 62.821 63.100 0.038 0.000 0.802 621 P CB 0.755 32.462 31.700 0.012 0.000 1.035 622 S N -1.806 113.942 115.700 0.080 0.000 2.598 622 S HA 0.139 4.609 4.470 -0.000 0.000 0.209 622 S C 0.895 175.553 174.600 0.097 0.000 1.029 622 S CA -0.417 57.837 58.200 0.090 0.000 1.172 622 S CB 0.005 63.263 63.200 0.095 0.000 1.427 622 S HN 0.367 nan 8.310 nan 0.000 0.418 623 E N 2.576 122.832 120.200 0.093 0.000 2.097 623 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 623 E C 1.486 178.133 176.600 0.078 0.000 1.000 623 E CA 2.658 59.109 56.400 0.086 0.000 0.804 623 E CB -0.536 29.217 29.700 0.089 0.000 0.740 623 E HN 0.614 nan 8.360 nan 0.000 0.454 624 T N -0.811 113.798 114.554 0.091 0.000 2.953 624 T HA 0.028 4.378 4.350 -0.000 0.000 0.247 624 T C 1.971 176.755 174.700 0.140 0.000 1.029 624 T CA 0.779 62.934 62.100 0.091 0.000 1.144 624 T CB -0.280 68.647 68.868 0.098 0.000 0.870 624 T HN 0.098 nan 8.240 nan 0.000 0.446 625 S N 2.601 118.408 115.700 0.178 0.000 2.387 625 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 625 S C 2.317 177.020 174.600 0.171 0.000 1.035 625 S CA 1.648 59.971 58.200 0.205 0.000 1.014 625 S CB -0.504 62.789 63.200 0.155 0.000 0.836 625 S HN 0.693 nan 8.310 nan 0.000 0.466 626 S N 1.143 116.919 115.700 0.127 0.000 2.527 626 S HA 0.084 4.554 4.470 -0.000 0.000 0.222 626 S C 1.592 176.236 174.600 0.074 0.000 0.985 626 S CA 0.033 58.297 58.200 0.108 0.000 0.921 626 S CB -0.269 62.998 63.200 0.111 0.000 0.772 626 S HN 0.467 nan 8.310 nan 0.000 0.529 627 Q N 0.612 120.450 119.800 0.064 0.000 2.170 627 Q HA 0.025 4.364 4.340 -0.000 0.000 0.203 627 Q C 1.751 177.765 176.000 0.024 0.000 0.976 627 Q CA 0.969 56.787 55.803 0.025 0.000 0.858 627 Q CB -0.283 28.454 28.738 -0.002 0.000 0.907 627 Q HN 0.489 nan 8.270 nan 0.000 0.433 628 I N 0.574 121.193 120.570 0.083 0.000 2.264 628 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 628 I C 1.973 178.116 176.117 0.043 0.000 1.111 628 I CA 1.520 62.915 61.300 0.157 0.000 1.382 628 I CB -0.923 37.270 38.000 0.321 0.000 1.060 628 I HN 0.168 nan 8.210 nan 0.000 0.418 629 S N -0.304 115.318 115.700 -0.129 0.000 2.582 629 S HA 0.074 4.544 4.470 -0.000 0.000 0.234 629 S C 0.700 175.119 174.600 -0.302 0.000 0.961 629 S CA -0.380 57.487 58.200 -0.556 0.000 0.953 629 S CB -0.778 62.216 63.200 -0.343 0.000 0.800 629 S HN 0.564 nan 8.310 nan 0.000 0.471 630 N N 1.117 119.739 118.700 -0.129 0.000 2.667 630 N HA -0.216 4.524 4.740 -0.000 0.000 0.263 630 N C -0.253 175.234 175.510 -0.038 0.000 1.038 630 N CA 0.364 53.377 53.050 -0.061 0.000 0.749 630 N CB -1.123 37.338 38.487 -0.043 0.000 0.892 630 N HN 0.743 nan 8.380 nan 0.000 0.546 631 A N 1.236 124.062 122.820 0.009 0.000 2.355 631 A HA 0.617 4.936 4.320 -0.000 0.000 0.324 631 A C 0.513 178.162 177.584 0.109 0.000 1.117 631 A CA -0.051 52.028 52.037 0.071 0.000 0.785 631 A CB 1.119 20.183 19.000 0.107 0.000 1.254 631 A HN 0.488 nan 8.150 nan 0.000 0.453 632 T N 0.171 114.830 114.554 0.176 0.000 2.930 632 T HA 0.193 4.543 4.350 -0.000 0.000 0.306 632 T C 0.096 174.915 174.700 0.199 0.000 1.045 632 T CA -0.331 61.887 62.100 0.196 0.000 1.134 632 T CB -0.447 68.597 68.868 0.293 0.000 0.961 632 T HN 0.604 nan 8.240 nan 0.000 0.545 633 N N 2.473 121.269 118.700 0.159 0.000 2.447 633 N HA 0.333 5.073 4.740 -0.000 0.000 0.263 633 N C 1.547 177.171 175.510 0.190 0.000 1.226 633 N CA 0.093 53.233 53.050 0.150 0.000 0.906 633 N CB 0.204 38.760 38.487 0.115 0.000 1.060 633 N HN 0.998 nan 8.380 nan 0.000 0.468 634 G N 3.120 112.027 108.800 0.180 0.000 2.698 634 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.346 634 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.346 634 G C 0.829 175.893 174.900 0.272 0.000 1.287 634 G CA 1.227 46.439 45.100 0.187 0.000 0.990 634 G HN 0.780 nan 8.290 nan 0.000 0.545 635 I N -1.318 119.402 120.570 0.250 0.000 3.883 635 I HA 0.417 4.587 4.170 -0.000 0.000 0.326 635 I C 0.228 176.690 176.117 0.574 0.000 1.283 635 I CA 0.083 61.596 61.300 0.356 0.000 1.161 635 I CB 0.149 38.170 38.000 0.036 0.000 1.012 635 I HN 0.065 nan 8.210 nan 0.000 0.421 636 E N 3.438 123.860 120.200 0.370 0.000 2.354 636 E HA 0.315 4.665 4.350 -0.000 0.000 0.269 636 E C -2.289 174.392 176.600 0.134 0.000 1.036 636 E CA -2.277 54.250 56.400 0.212 0.000 0.876 636 E CB 0.186 29.936 29.700 0.083 0.000 1.009 636 E HN 0.121 nan 8.360 nan 0.000 0.416 637 P HA 0.151 nan 4.420 nan 0.000 0.276 637 P C -2.398 174.806 177.300 -0.159 0.000 1.230 637 P CA -1.236 61.708 63.100 -0.261 0.000 0.776 637 P CB -0.100 31.204 31.700 -0.660 0.000 0.888 638 P HA 0.146 nan 4.420 nan 0.000 0.271 638 P C 0.397 177.575 177.300 -0.204 0.000 1.216 638 P CA -0.096 62.940 63.100 -0.107 0.000 0.776 638 P CB 0.871 32.512 31.700 -0.097 0.000 0.881 639 R N 1.458 121.846 120.500 -0.186 0.000 2.115 639 R HA 0.202 4.542 4.340 -0.000 0.000 0.230 639 R C 1.442 177.662 176.300 -0.134 0.000 1.111 639 R CA 1.144 57.127 56.100 -0.195 0.000 0.976 639 R CB -0.669 29.592 30.300 -0.064 0.000 0.870 639 R HN 0.684 nan 8.270 nan 0.000 0.445 640 G N -2.819 105.891 108.800 -0.149 0.000 2.684 640 G HA2 0.325 4.285 3.960 -0.000 0.000 0.290 640 G HA3 0.325 4.285 3.960 -0.000 0.000 0.290 640 G C -0.683 174.091 174.900 -0.210 0.000 1.425 640 G CA -0.748 44.234 45.100 -0.195 0.000 0.822 640 G HN -0.031 nan 8.290 nan 0.000 0.482 641 Y N -0.583 119.680 120.300 -0.061 0.000 2.352 641 Y HA 0.156 4.705 4.550 -0.000 0.000 0.292 641 Y C 1.397 177.194 175.900 -0.172 0.000 1.136 641 Y CA 0.506 58.530 58.100 -0.126 0.000 1.227 641 Y CB 0.052 38.446 38.460 -0.110 0.000 0.991 641 Y HN 0.124 nan 8.280 nan 0.000 0.545 642 V N 0.032 119.952 119.914 0.011 0.000 2.444 642 V HA 0.344 4.464 4.120 -0.000 0.000 0.294 642 V C -0.234 175.848 176.094 -0.021 0.000 1.022 642 V CA -1.237 61.042 62.300 -0.034 0.000 0.850 642 V CB 1.631 33.420 31.823 -0.057 0.000 0.992 642 V HN 0.065 nan 8.190 nan 0.000 0.426 643 S N 5.571 121.259 115.700 -0.020 0.000 2.508 643 S HA 0.793 5.263 4.470 -0.000 0.000 0.284 643 S C -0.805 173.794 174.600 -0.002 0.000 1.192 643 S CA -0.369 57.826 58.200 -0.009 0.000 1.070 643 S CB 0.839 64.034 63.200 -0.008 0.000 1.004 643 S HN 0.476 nan 8.310 nan 0.000 0.493 644 I N 3.422 123.995 120.570 0.004 0.000 2.530 644 I HA 0.565 4.735 4.170 -0.000 0.000 0.297 644 I C -0.723 175.400 176.117 0.010 0.000 1.011 644 I CA -0.394 60.910 61.300 0.008 0.000 1.107 644 I CB 2.139 40.143 38.000 0.007 0.000 1.285 644 I HN 0.652 nan 8.210 nan 0.000 0.436 645 K N 4.186 124.592 120.400 0.011 0.000 2.469 645 K HA 0.848 5.167 4.320 -0.000 0.000 0.254 645 K C -1.047 175.559 176.600 0.011 0.000 0.939 645 K CA -0.626 55.666 56.287 0.009 0.000 0.812 645 K CB 1.872 34.372 32.500 -0.000 0.000 1.301 645 K HN 0.546 nan 8.250 nan 0.000 0.433 646 A N 1.061 123.887 122.820 0.009 0.000 2.322 646 A HA 0.720 5.039 4.320 -0.000 0.000 0.269 646 A C -0.175 177.413 177.584 0.007 0.000 1.094 646 A CA 0.072 52.115 52.037 0.010 0.000 0.807 646 A CB 0.306 19.311 19.000 0.009 0.000 1.047 646 A HN 0.818 nan 8.150 nan 0.000 0.487 647 S N 0.323 116.029 115.700 0.011 0.000 2.611 647 S HA 0.410 4.880 4.470 -0.000 0.000 0.268 647 S C 0.352 174.960 174.600 0.013 0.000 1.156 647 S CA -0.096 58.108 58.200 0.007 0.000 0.817 647 S CB 1.028 64.228 63.200 0.001 0.000 1.122 647 S HN 0.964 nan 8.310 nan 0.000 0.466 648 K N 0.222 120.628 120.400 0.011 0.000 2.504 648 K HA 0.040 4.359 4.320 -0.000 0.000 0.195 648 K C -0.479 176.137 176.600 0.026 0.000 1.036 648 K CA 1.062 57.359 56.287 0.016 0.000 0.984 648 K CB -0.478 32.029 32.500 0.012 0.000 0.788 648 K HN 0.634 nan 8.250 nan 0.000 0.488 649 D N 1.073 121.494 120.400 0.034 0.000 2.501 649 D HA 0.218 4.858 4.640 -0.000 0.000 0.226 649 D C 0.555 176.896 176.300 0.069 0.000 1.198 649 D CA 0.584 54.617 54.000 0.055 0.000 0.830 649 D CB 0.762 41.603 40.800 0.069 0.000 1.014 649 D HN 0.443 nan 8.370 nan 0.000 0.496 650 G N 0.920 109.749 108.800 0.049 0.000 2.549 650 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.404 650 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.404 650 G C -0.640 174.289 174.900 0.048 0.000 1.292 650 G CA -1.007 44.120 45.100 0.045 0.000 0.935 650 G HN 0.146 nan 8.290 nan 0.000 0.512 651 I N 1.016 121.609 120.570 0.039 0.000 2.416 651 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 651 I C 0.662 176.823 176.117 0.073 0.000 1.051 651 I CA -0.356 60.966 61.300 0.036 0.000 1.375 651 I CB 0.745 38.752 38.000 0.013 0.000 1.407 651 I HN 0.310 nan 8.210 nan 0.000 0.516 652 L N 7.431 128.699 121.223 0.076 0.000 2.265 652 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 652 L C 0.094 177.006 176.870 0.070 0.000 1.058 652 L CA -0.510 54.400 54.840 0.117 0.000 0.809 652 L CB 0.487 42.577 42.059 0.051 0.000 1.179 652 L HN 0.584 nan 8.230 nan 0.000 0.429 653 R N 2.643 123.193 120.500 0.084 0.000 2.664 653 R HA 0.547 4.887 4.340 -0.000 0.000 0.286 653 R C -0.844 175.474 176.300 0.031 0.000 0.967 653 R CA -0.697 55.422 56.100 0.032 0.000 0.933 653 R CB 2.319 32.620 30.300 0.000 0.000 1.146 653 R HN 0.534 nan 8.270 nan 0.000 0.468 654 Q N 1.861 121.659 119.800 -0.004 0.000 2.274 654 Q HA 0.325 4.665 4.340 -0.000 0.000 0.268 654 Q C -1.527 174.450 176.000 -0.039 0.000 1.015 654 Q CA -0.652 55.137 55.803 -0.023 0.000 0.775 654 Q CB 2.204 30.929 28.738 -0.021 0.000 1.256 654 Q HN 0.385 nan 8.270 nan 0.000 0.442 655 V N 4.010 123.894 119.914 -0.052 0.000 2.465 655 V HA 0.261 4.381 4.120 -0.000 0.000 0.279 655 V C 0.477 176.562 176.094 -0.015 0.000 1.045 655 V CA -0.785 61.482 62.300 -0.054 0.000 0.938 655 V CB 1.061 32.841 31.823 -0.072 0.000 0.986 655 V HN 0.700 nan 8.190 nan 0.000 0.467 656 V N 4.062 123.968 119.914 -0.013 0.000 2.752 656 V HA 0.129 4.248 4.120 -0.000 0.000 0.306 656 V C -1.903 174.234 176.094 0.071 0.000 1.099 656 V CA -1.192 61.098 62.300 -0.017 0.000 1.240 656 V CB -0.590 31.103 31.823 -0.217 0.000 0.887 656 V HN 0.790 nan 8.190 nan 0.000 0.499 657 P HA 0.028 nan 4.420 nan 0.000 0.264 657 P C 0.214 177.559 177.300 0.076 0.000 1.183 657 P CA 0.735 63.762 63.100 -0.121 0.000 0.763 657 P CB 0.142 31.438 31.700 -0.675 0.000 0.807 658 D N 1.395 121.900 120.400 0.175 0.000 2.737 658 D HA -0.275 4.365 4.640 -0.000 0.000 0.233 658 D C 0.573 177.115 176.300 0.404 0.000 1.155 658 D CA 0.602 54.795 54.000 0.320 0.000 0.667 658 D CB -1.555 39.468 40.800 0.372 0.000 1.060 658 D HN 0.495 nan 8.370 nan 0.000 0.427 659 Y N 0.461 120.919 120.300 0.262 0.000 2.139 659 Y HA -0.280 4.270 4.550 -0.000 0.000 0.282 659 Y C 2.202 178.224 175.900 0.204 0.000 1.179 659 Y CA 2.815 61.052 58.100 0.228 0.000 1.161 659 Y CB -0.204 38.298 38.460 0.070 0.000 0.970 659 Y HN 0.365 nan 8.280 nan 0.000 0.511 660 E N -0.886 119.416 120.200 0.171 0.000 2.065 660 E HA -0.316 4.034 4.350 -0.000 0.000 0.201 660 E C 1.802 178.286 176.600 -0.192 0.000 1.016 660 E CA 2.077 58.449 56.400 -0.047 0.000 0.818 660 E CB -0.404 29.229 29.700 -0.112 0.000 0.749 660 E HN 0.703 nan 8.360 nan 0.000 0.453 661 H N -1.280 117.816 119.070 0.043 0.000 2.562 661 H HA 0.125 4.681 4.556 -0.000 0.000 0.267 661 H C 1.431 176.688 175.328 -0.119 0.000 0.959 661 H CA 0.578 56.610 56.048 -0.027 0.000 1.204 661 H CB 0.626 30.387 29.762 -0.002 0.000 1.430 661 H HN 0.232 nan 8.280 nan 0.000 0.545 662 L N 1.201 122.435 121.223 0.019 0.000 3.016 662 L HA 0.052 4.392 4.340 -0.000 0.000 0.267 662 L C 2.204 179.073 176.870 -0.001 0.000 1.182 662 L CA -0.080 54.743 54.840 -0.028 0.000 0.997 662 L CB 0.024 42.107 42.059 0.040 0.000 1.354 662 L HN 0.317 nan 8.230 nan 0.000 0.569 663 H N -0.518 118.474 119.070 -0.130 0.000 2.357 663 H HA -0.212 4.344 4.556 -0.000 0.000 0.296 663 H C 0.617 176.023 175.328 0.130 0.000 1.108 663 H CA 1.758 57.669 56.048 -0.228 0.000 1.273 663 H CB -0.243 28.887 29.762 -1.054 0.000 1.367 663 H HN 0.346 nan 8.280 nan 0.000 0.498 664 D N 1.165 121.424 120.400 -0.235 0.000 2.234 664 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 664 D C 2.282 178.607 176.300 0.041 0.000 0.962 664 D CA 1.073 55.059 54.000 -0.023 0.000 0.855 664 D CB -0.088 40.628 40.800 -0.139 0.000 0.951 664 D HN 0.574 nan 8.370 nan 0.000 0.500 665 A N 0.072 122.882 122.820 -0.017 0.000 2.016 665 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 665 A C 0.565 178.154 177.584 0.008 0.000 1.162 665 A CA 0.205 52.212 52.037 -0.049 0.000 0.662 665 A CB -0.451 18.456 19.000 -0.154 0.000 0.812 665 A HN 0.084 nan 8.150 nan 0.000 0.450 666 Y N 0.578 120.971 120.300 0.156 0.000 2.497 666 Y HA 0.244 4.794 4.550 -0.000 0.000 0.334 666 Y C 0.759 176.761 175.900 0.170 0.000 1.199 666 Y CA 0.376 58.601 58.100 0.209 0.000 1.425 666 Y CB 0.416 39.071 38.460 0.324 0.000 1.291 666 Y HN 0.350 nan 8.280 nan 0.000 0.562 667 E N 4.532 124.931 120.200 0.331 0.000 2.149 667 E HA 0.328 4.678 4.350 -0.000 0.000 0.255 667 E C -1.252 175.418 176.600 0.117 0.000 0.888 667 E CA -0.453 56.075 56.400 0.213 0.000 0.742 667 E CB 0.429 30.262 29.700 0.222 0.000 1.164 667 E HN 0.614 nan 8.360 nan 0.000 0.422 668 L N 4.291 125.523 121.223 0.016 0.000 2.467 668 L HA 0.009 4.349 4.340 -0.000 0.000 0.270 668 L C 1.735 178.484 176.870 -0.203 0.000 1.205 668 L CA -0.389 54.371 54.840 -0.132 0.000 0.828 668 L CB 0.203 42.129 42.059 -0.222 0.000 1.101 668 L HN 0.696 nan 8.230 nan 0.000 0.479 669 L N 1.757 122.754 121.223 -0.376 0.000 2.010 669 L HA -0.230 4.110 4.340 -0.000 0.000 0.219 669 L C 1.762 178.294 176.870 -0.565 0.000 1.077 669 L CA 2.196 56.656 54.840 -0.633 0.000 0.773 669 L CB -0.462 41.017 42.059 -0.966 0.000 0.892 669 L HN 0.579 nan 8.230 nan 0.000 0.436 670 W N -0.556 120.696 121.300 -0.080 0.000 3.047 670 W HA 0.056 4.716 4.660 0.001 0.000 0.250 670 W C 2.099 178.600 176.519 -0.031 0.000 1.314 670 W CA 0.113 57.429 57.345 -0.049 0.000 1.540 670 W CB -0.131 29.309 29.460 -0.032 0.000 1.127 670 W HN 0.221 nan 8.180 nan 0.000 0.679 671 E N 0.480 120.754 120.200 0.124 0.000 2.358 671 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 671 E C 0.856 177.502 176.600 0.077 0.000 1.010 671 E CA 0.360 56.819 56.400 0.098 0.000 0.856 671 E CB -0.115 29.631 29.700 0.078 0.000 0.795 671 E HN 0.262 nan 8.360 nan 0.000 0.504 672 M N 1.936 121.563 119.600 0.044 0.000 2.268 672 M HA 0.041 4.521 4.480 -0.000 0.000 0.349 672 M C -1.776 174.562 176.300 0.063 0.000 1.485 672 M CA -1.332 53.993 55.300 0.041 0.000 1.094 672 M CB 0.368 32.956 32.600 -0.020 0.000 1.843 672 M HN -0.209 nan 8.290 nan 0.000 0.460 673 P HA -0.042 nan 4.420 nan 0.000 0.223 673 P C 0.414 177.749 177.300 0.059 0.000 1.144 673 P CA 0.674 63.804 63.100 0.051 0.000 0.783 673 P CB 0.304 32.032 31.700 0.047 0.000 0.771 674 G N -2.100 106.742 108.800 0.071 0.000 2.340 674 G HA2 0.050 4.009 3.960 -0.000 0.000 0.299 674 G HA3 0.050 4.009 3.960 -0.000 0.000 0.299 674 G C -0.277 174.659 174.900 0.061 0.000 1.291 674 G CA -0.448 44.702 45.100 0.084 0.000 0.841 674 G HN -0.229 nan 8.290 nan 0.000 0.500 675 N N 0.133 118.874 118.700 0.068 0.000 2.392 675 N HA 0.001 4.741 4.740 -0.000 0.000 0.177 675 N C 1.147 176.767 175.510 0.183 0.000 1.066 675 N CA 0.578 53.681 53.050 0.089 0.000 0.895 675 N CB 0.348 38.866 38.487 0.052 0.000 0.988 675 N HN 0.528 nan 8.380 nan 0.000 0.457 676 D N 1.199 121.697 120.400 0.163 0.000 2.127 676 D HA -0.167 4.472 4.640 -0.000 0.000 0.190 676 D C 1.906 178.278 176.300 0.120 0.000 1.000 676 D CA 1.558 55.651 54.000 0.155 0.000 0.839 676 D CB -0.338 40.546 40.800 0.140 0.000 0.955 676 D HN 0.286 nan 8.370 nan 0.000 0.446 677 G N -0.034 108.843 108.800 0.128 0.000 2.418 677 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 677 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 677 G C 1.547 176.543 174.900 0.161 0.000 1.158 677 G CA 0.763 45.930 45.100 0.110 0.000 0.771 677 G HN 0.290 nan 8.290 nan 0.000 0.545 678 Y N 1.246 121.621 120.300 0.126 0.000 2.081 678 Y HA -0.133 4.417 4.550 0.000 0.000 0.280 678 Y C 2.560 178.513 175.900 0.088 0.000 1.163 678 Y CA 1.692 59.895 58.100 0.172 0.000 1.135 678 Y CB -0.362 38.172 38.460 0.124 0.000 0.970 678 Y HN 0.109 nan 8.280 nan 0.000 0.498 679 L N 0.043 121.310 121.223 0.074 0.000 2.191 679 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 679 L C 2.489 179.274 176.870 -0.142 0.000 1.103 679 L CA 1.390 56.213 54.840 -0.028 0.000 0.769 679 L CB -0.563 41.584 42.059 0.148 0.000 0.908 679 L HN 0.377 nan 8.230 nan 0.000 0.438 680 Q N -0.295 119.385 119.800 -0.200 0.000 2.172 680 Q HA -0.118 4.221 4.340 -0.000 0.000 0.200 680 Q C 2.367 178.196 176.000 -0.284 0.000 0.964 680 Q CA 1.041 56.601 55.803 -0.404 0.000 0.855 680 Q CB 0.045 28.532 28.738 -0.418 0.000 0.918 680 Q HN 0.556 nan 8.270 nan 0.000 0.444 681 L N -0.230 120.872 121.223 -0.203 0.000 2.072 681 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 681 L C 2.358 179.039 176.870 -0.314 0.000 1.079 681 L CA 0.649 55.376 54.840 -0.189 0.000 0.752 681 L CB -0.514 41.502 42.059 -0.073 0.000 0.906 681 L HN 0.076 nan 8.230 nan 0.000 0.436 682 V N 0.564 120.248 119.914 -0.384 0.000 2.255 682 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 682 V C 2.686 178.619 176.094 -0.268 0.000 1.051 682 V CA 2.191 64.264 62.300 -0.377 0.000 1.018 682 V CB -1.385 30.215 31.823 -0.371 0.000 0.641 682 V HN 0.576 nan 8.190 nan 0.000 0.445 683 G N -0.238 108.444 108.800 -0.197 0.000 2.446 683 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 683 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 683 G C 1.585 176.385 174.900 -0.167 0.000 1.168 683 G CA 1.242 46.261 45.100 -0.135 0.000 0.771 683 G HN 0.497 nan 8.290 nan 0.000 0.551 684 I N 0.451 120.909 120.570 -0.187 0.000 2.163 684 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 684 I C 2.979 179.001 176.117 -0.158 0.000 1.085 684 I CA 1.258 62.480 61.300 -0.129 0.000 1.347 684 I CB -0.194 37.770 38.000 -0.060 0.000 1.044 684 I HN 0.193 nan 8.210 nan 0.000 0.408 685 M N -0.419 118.970 119.600 -0.352 0.000 2.086 685 M HA -0.263 4.217 4.480 -0.000 0.000 0.261 685 M C 2.388 178.550 176.300 -0.230 0.000 1.067 685 M CA 1.713 56.667 55.300 -0.577 0.000 1.116 685 M CB -0.483 31.491 32.600 -1.044 0.000 1.348 685 M HN 0.127 nan 8.290 nan 0.000 0.407 686 Q N 1.166 120.855 119.800 -0.186 0.000 2.234 686 Q HA -0.179 4.160 4.340 -0.000 0.000 0.206 686 Q C 1.754 177.770 176.000 0.026 0.000 0.980 686 Q CA 1.656 57.422 55.803 -0.062 0.000 0.869 686 Q CB -0.315 28.391 28.738 -0.054 0.000 0.912 686 Q HN 0.426 nan 8.270 nan 0.000 0.436 687 K N -1.039 119.268 120.400 -0.154 0.000 2.074 687 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 687 K C 1.018 177.403 176.600 -0.359 0.000 1.048 687 K CA 1.769 57.817 56.287 -0.400 0.000 0.926 687 K CB -0.184 31.794 32.500 -0.869 0.000 0.713 687 K HN 0.306 nan 8.250 nan 0.000 0.444 688 F N 0.492 120.450 119.950 0.013 0.000 2.656 688 F HA 0.230 4.756 4.527 -0.001 0.000 0.291 688 F C 0.711 176.586 175.800 0.126 0.000 1.122 688 F CA -0.435 57.610 58.000 0.076 0.000 1.427 688 F CB 0.295 39.357 39.000 0.104 0.000 1.125 688 F HN -0.136 nan 8.300 nan 0.000 0.583 689 I N 1.543 122.249 120.570 0.226 0.000 2.441 689 I HA -0.012 4.158 4.170 -0.000 0.000 0.287 689 I C 0.857 177.006 176.117 0.053 0.000 1.049 689 I CA 0.092 61.486 61.300 0.156 0.000 1.381 689 I CB 0.620 38.678 38.000 0.097 0.000 1.409 689 I HN 0.104 nan 8.210 nan 0.000 0.523 690 D N 4.234 124.679 120.400 0.075 0.000 2.117 690 D HA -0.120 4.519 4.640 -0.000 0.000 0.198 690 D C 1.405 177.702 176.300 -0.006 0.000 0.982 690 D CA 1.520 55.532 54.000 0.020 0.000 0.828 690 D CB 0.495 41.346 40.800 0.086 0.000 0.967 690 D HN 0.614 nan 8.370 nan 0.000 0.464 691 Q N -0.302 119.519 119.800 0.036 0.000 3.050 691 Q HA 0.349 4.689 4.340 -0.000 0.000 0.256 691 Q C 0.565 176.577 176.000 0.021 0.000 1.161 691 Q CA -0.297 55.530 55.803 0.041 0.000 0.329 691 Q CB 0.387 29.160 28.738 0.058 0.000 5.721 691 Q HN -0.067 nan 8.270 nan 0.000 0.326 692 S N -1.216 114.496 115.700 0.021 0.000 2.911 692 S HA 0.678 5.148 4.470 -0.000 0.000 0.319 692 S C -1.646 172.953 174.600 -0.002 0.000 1.154 692 S CA -0.736 57.471 58.200 0.011 0.000 0.857 692 S CB 0.980 64.191 63.200 0.017 0.000 1.279 692 S HN 0.340 nan 8.310 nan 0.000 0.593 693 I N 1.512 122.073 120.570 -0.015 0.000 2.571 693 I HA 0.281 4.450 4.170 -0.000 0.000 0.289 693 I C -0.616 175.483 176.117 -0.030 0.000 1.115 693 I CA -0.450 60.830 61.300 -0.033 0.000 1.045 693 I CB 2.325 40.280 38.000 -0.076 0.000 1.238 693 I HN 0.397 nan 8.210 nan 0.000 0.424 694 S N 5.226 120.903 115.700 -0.038 0.000 2.962 694 S HA 0.364 4.834 4.470 -0.000 0.000 0.320 694 S C 0.269 174.863 174.600 -0.010 0.000 1.186 694 S CA -0.455 57.703 58.200 -0.070 0.000 1.180 694 S CB -0.229 62.910 63.200 -0.100 0.000 1.491 694 S HN 0.605 nan 8.310 nan 0.000 0.556 695 A N 4.396 127.230 122.820 0.024 0.000 2.288 695 A HA 0.543 4.863 4.320 -0.000 0.000 0.320 695 A C 0.082 177.773 177.584 0.180 0.000 1.217 695 A CA -0.968 51.163 52.037 0.156 0.000 0.840 695 A CB 0.540 19.611 19.000 0.119 0.000 1.179 695 A HN 0.740 nan 8.150 nan 0.000 0.504 696 N N 0.402 119.239 118.700 0.228 0.000 2.489 696 N HA 0.604 5.343 4.740 -0.000 0.000 0.284 696 N C -0.307 175.263 175.510 0.101 0.000 1.158 696 N CA -0.419 52.708 53.050 0.129 0.000 0.965 696 N CB 1.564 40.081 38.487 0.051 0.000 1.195 696 N HN 0.687 nan 8.380 nan 0.000 0.506 697 T N -1.463 113.163 114.554 0.121 0.000 2.829 697 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 697 T C -0.900 173.773 174.700 -0.046 0.000 0.999 697 T CA -1.025 61.097 62.100 0.036 0.000 0.983 697 T CB 0.836 69.832 68.868 0.214 0.000 0.968 697 T HN 0.370 nan 8.240 nan 0.000 0.446 698 N N 1.771 120.279 118.700 -0.319 0.000 2.272 698 N HA 0.458 5.197 4.740 -0.000 0.000 0.305 698 N C -1.775 173.513 175.510 -0.370 0.000 1.103 698 N CA -0.584 52.364 53.050 -0.170 0.000 0.791 698 N CB 2.288 40.610 38.487 -0.276 0.000 1.356 698 N HN 0.640 nan 8.380 nan 0.000 0.486 699 Y N -0.400 120.173 120.300 0.454 0.000 2.362 699 Y HA 0.155 4.705 4.550 -0.000 0.000 0.326 699 Y C -0.749 175.325 175.900 0.290 0.000 1.083 699 Y CA -0.950 57.384 58.100 0.390 0.000 1.073 699 Y CB 1.708 40.303 38.460 0.224 0.000 1.211 699 Y HN 0.386 nan 8.280 nan 0.000 0.433 700 D N 5.014 125.651 120.400 0.394 0.000 2.373 700 D HA 0.315 4.955 4.640 -0.000 0.000 0.227 700 D C -2.052 174.409 176.300 0.269 0.000 1.091 700 D CA -2.458 51.577 54.000 0.059 0.000 0.840 700 D CB 2.067 42.854 40.800 -0.021 0.000 1.060 700 D HN 0.201 nan 8.370 nan 0.000 0.502 701 P HA -0.137 nan 4.420 nan 0.000 0.216 701 P C 1.252 178.682 177.300 0.218 0.000 1.150 701 P CA 1.023 64.269 63.100 0.243 0.000 0.837 701 P CB 0.131 31.878 31.700 0.078 0.000 0.786 702 S N -1.032 114.711 115.700 0.072 0.000 2.595 702 S HA -0.065 4.405 4.470 -0.000 0.000 0.235 702 S C 1.763 176.362 174.600 -0.001 0.000 0.974 702 S CA 0.533 58.748 58.200 0.026 0.000 0.942 702 S CB -0.813 62.372 63.200 -0.026 0.000 0.766 702 S HN 0.105 nan 8.310 nan 0.000 0.536 703 R N -0.658 119.823 120.500 -0.032 0.000 2.297 703 R HA 0.332 4.672 4.340 -0.000 0.000 0.197 703 R C -0.771 175.265 176.300 -0.441 0.000 0.943 703 R CA 0.202 56.142 56.100 -0.267 0.000 1.038 703 R CB 0.153 30.197 30.300 -0.427 0.000 0.957 703 R HN 0.430 nan 8.270 nan 0.000 0.484 704 F N 0.950 120.925 119.950 0.042 0.000 2.546 704 F HA 0.364 4.891 4.527 -0.000 0.000 0.320 704 F C -1.887 173.928 175.800 0.025 0.000 1.076 704 F CA -3.125 54.900 58.000 0.041 0.000 0.928 704 F CB 1.267 40.294 39.000 0.045 0.000 1.189 704 F HN -0.204 nan 8.300 nan 0.000 0.465 705 P HA -0.027 nan 4.420 nan 0.000 0.261 705 P C 0.009 177.373 177.300 0.106 0.000 1.183 705 P CA 0.597 63.769 63.100 0.119 0.000 0.761 705 P CB 0.780 32.542 31.700 0.103 0.000 0.785 706 S N 1.771 117.513 115.700 0.071 0.000 3.476 706 S HA -0.179 4.291 4.470 -0.000 0.000 0.309 706 S C 1.161 175.795 174.600 0.057 0.000 1.222 706 S CA 1.092 59.323 58.200 0.052 0.000 0.922 706 S CB -2.264 60.959 63.200 0.039 0.000 1.023 706 S HN 1.122 nan 8.310 nan 0.000 0.591 707 G N 1.066 109.918 108.800 0.087 0.000 2.321 707 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.287 707 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.287 707 G C -0.239 174.702 174.900 0.069 0.000 1.018 707 G CA 0.934 46.090 45.100 0.092 0.000 0.855 707 G HN 0.982 nan 8.290 nan 0.000 0.507 708 K N -0.462 119.974 120.400 0.061 0.000 2.345 708 K HA 0.648 4.967 4.320 -0.000 0.000 0.255 708 K C -0.229 176.264 176.600 -0.178 0.000 0.934 708 K CA -1.182 55.083 56.287 -0.037 0.000 0.801 708 K CB 2.906 35.384 32.500 -0.036 0.000 1.137 708 K HN 0.028 nan 8.250 nan 0.000 0.424 709 V N 4.043 123.742 119.914 -0.357 0.000 2.446 709 V HA 0.098 4.218 4.120 -0.000 0.000 0.276 709 V C -1.638 174.155 176.094 -0.502 0.000 1.030 709 V CA -1.213 60.627 62.300 -0.767 0.000 1.033 709 V CB -0.197 31.211 31.823 -0.691 0.000 0.993 709 V HN 0.765 nan 8.190 nan 0.000 0.477 710 P HA 0.151 nan 4.420 nan 0.000 0.276 710 P C 0.532 177.720 177.300 -0.187 0.000 1.230 710 P CA -0.545 62.429 63.100 -0.210 0.000 0.776 710 P CB 0.945 32.592 31.700 -0.087 0.000 0.888 711 M N 2.659 122.191 119.600 -0.113 0.000 2.267 711 M HA -0.196 4.283 4.480 -0.000 0.000 0.263 711 M C 1.987 178.266 176.300 -0.034 0.000 1.063 711 M CA 1.806 57.062 55.300 -0.073 0.000 1.090 711 M CB -1.033 31.547 32.600 -0.034 0.000 1.392 711 M HN 0.342 nan 8.290 nan 0.000 0.422 712 Q N -0.153 119.636 119.800 -0.019 0.000 2.096 712 Q HA -0.249 4.090 4.340 -0.000 0.000 0.204 712 Q C 2.088 178.108 176.000 0.034 0.000 0.982 712 Q CA 2.284 58.096 55.803 0.014 0.000 0.850 712 Q CB -0.309 28.446 28.738 0.028 0.000 0.901 712 Q HN 0.668 nan 8.270 nan 0.000 0.422 713 Q N -0.635 119.179 119.800 0.023 0.000 2.137 713 Q HA 0.046 4.386 4.340 -0.000 0.000 0.198 713 Q C 1.887 177.938 176.000 0.084 0.000 0.960 713 Q CA 1.095 56.950 55.803 0.088 0.000 0.847 713 Q CB -0.163 28.650 28.738 0.126 0.000 0.915 713 Q HN 0.520 nan 8.270 nan 0.000 0.448 714 L N -0.199 120.996 121.223 -0.048 0.000 2.043 714 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 714 L C 2.168 179.100 176.870 0.103 0.000 1.075 714 L CA 1.137 55.963 54.840 -0.023 0.000 0.752 714 L CB -0.483 41.506 42.059 -0.115 0.000 0.891 714 L HN 0.277 nan 8.230 nan 0.000 0.432 715 L N -0.704 120.568 121.223 0.081 0.000 2.131 715 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 715 L C 2.691 179.618 176.870 0.094 0.000 1.087 715 L CA 0.918 55.814 54.840 0.092 0.000 0.767 715 L CB -0.453 41.629 42.059 0.039 0.000 0.917 715 L HN 0.199 nan 8.230 nan 0.000 0.441 716 K N 0.283 120.742 120.400 0.099 0.000 2.026 716 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 716 K C 1.589 178.276 176.600 0.144 0.000 1.048 716 K CA 1.779 58.129 56.287 0.105 0.000 0.929 716 K CB -0.017 32.552 32.500 0.115 0.000 0.713 716 K HN 0.254 nan 8.250 nan 0.000 0.439 717 D N 0.993 121.514 120.400 0.202 0.000 2.144 717 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 717 D C 1.890 178.325 176.300 0.224 0.000 0.984 717 D CA 0.662 54.806 54.000 0.239 0.000 0.834 717 D CB -0.153 40.842 40.800 0.324 0.000 0.955 717 D HN 0.148 nan 8.370 nan 0.000 0.465 718 L N 0.531 121.887 121.223 0.221 0.000 2.046 718 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 718 L C 2.175 179.131 176.870 0.143 0.000 1.077 718 L CA 1.367 56.348 54.840 0.235 0.000 0.747 718 L CB -0.381 41.856 42.059 0.296 0.000 0.896 718 L HN -0.016 nan 8.230 nan 0.000 0.432 719 L N -1.389 119.874 121.223 0.067 0.000 2.093 719 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 719 L C 2.333 179.204 176.870 0.002 0.000 1.085 719 L CA 1.535 56.345 54.840 -0.051 0.000 0.755 719 L CB -1.029 40.993 42.059 -0.062 0.000 0.904 719 L HN 0.258 nan 8.230 nan 0.000 0.435 720 T N 0.022 114.621 114.554 0.074 0.000 2.708 720 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 720 T C 2.082 176.889 174.700 0.179 0.000 1.037 720 T CA 1.304 63.475 62.100 0.117 0.000 1.146 720 T CB -0.312 68.689 68.868 0.222 0.000 0.865 720 T HN 0.439 nan 8.240 nan 0.000 0.435 721 A N 0.817 123.755 122.820 0.197 0.000 1.873 721 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 721 A C 2.121 179.794 177.584 0.148 0.000 1.193 721 A CA 2.014 54.169 52.037 0.198 0.000 0.629 721 A CB -1.226 17.902 19.000 0.214 0.000 0.826 721 A HN 0.607 nan 8.150 nan 0.000 0.447 722 Y N 0.358 120.654 120.300 -0.008 0.000 2.181 722 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 722 Y C 2.417 178.307 175.900 -0.016 0.000 1.146 722 Y CA 2.346 60.438 58.100 -0.012 0.000 1.164 722 Y CB -0.172 38.072 38.460 -0.359 0.000 0.982 722 Y HN 0.304 nan 8.280 nan 0.000 0.515 723 K N -0.566 119.785 120.400 -0.081 0.000 2.097 723 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 723 K C 0.922 177.234 176.600 -0.480 0.000 1.049 723 K CA 1.459 57.562 56.287 -0.308 0.000 0.933 723 K CB -0.371 31.869 32.500 -0.433 0.000 0.717 723 K HN 0.331 nan 8.250 nan 0.000 0.442 724 F N 0.415 120.290 119.950 -0.125 0.000 2.664 724 F HA 0.241 4.768 4.527 -0.001 0.000 0.301 724 F C 1.185 176.825 175.800 -0.267 0.000 1.126 724 F CA 0.401 58.308 58.000 -0.156 0.000 1.373 724 F CB 0.355 39.301 39.000 -0.091 0.000 1.042 724 F HN 0.227 nan 8.300 nan 0.000 0.535 725 G N 0.722 109.309 108.800 -0.355 0.000 2.221 725 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 725 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 725 G C 0.033 174.716 174.900 -0.362 0.000 1.041 725 G CA 0.065 44.724 45.100 -0.735 0.000 0.807 725 G HN 0.153 nan 8.290 nan 0.000 0.502 726 V N 0.291 120.138 119.914 -0.113 0.000 2.521 726 V HA 0.154 4.274 4.120 -0.000 0.000 0.286 726 V C 1.710 177.871 176.094 0.112 0.000 1.034 726 V CA 0.854 63.162 62.300 0.014 0.000 1.045 726 V CB 1.289 33.154 31.823 0.070 0.000 0.974 726 V HN 0.499 nan 8.190 nan 0.000 0.480 727 K N 2.499 122.958 120.400 0.099 0.000 2.062 727 K HA 0.019 4.338 4.320 -0.000 0.000 0.205 727 K C 0.700 177.395 176.600 0.157 0.000 1.051 727 K CA 1.244 57.619 56.287 0.148 0.000 0.941 727 K CB 0.047 32.609 32.500 0.104 0.000 0.719 727 K HN 0.853 nan 8.250 nan 0.000 0.440 728 T N -1.545 113.085 114.554 0.127 0.000 2.896 728 T HA 0.641 4.991 4.350 -0.000 0.000 0.297 728 T C -0.517 174.260 174.700 0.129 0.000 1.108 728 T CA -1.032 61.150 62.100 0.137 0.000 1.004 728 T CB 1.730 70.656 68.868 0.098 0.000 1.159 728 T HN -0.099 nan 8.240 nan 0.000 0.499 732 Q N 3.310 123.364 119.800 0.424 0.000 2.331 732 Q HA 0.411 4.750 4.340 -0.000 0.000 0.257 732 Q C -1.128 175.047 176.000 0.291 0.000 0.957 732 Q CA -0.543 55.464 55.803 0.340 0.000 0.923 732 Q CB 0.697 29.632 28.738 0.328 0.000 1.212 732 Q HN 0.612 nan 8.270 nan 0.000 0.443 733 N N 2.824 121.689 118.700 0.275 0.000 2.434 733 N HA 0.256 4.996 4.740 -0.000 0.000 0.272 733 N C -1.137 174.606 175.510 0.389 0.000 1.040 733 N CA -0.051 53.164 53.050 0.276 0.000 0.956 733 N CB 1.760 40.387 38.487 0.234 0.000 1.108 733 N HN 0.417 nan 8.380 nan 0.000 0.481 734 T N 1.554 116.288 114.554 0.299 0.000 2.786 734 T HA 0.238 4.588 4.350 -0.000 0.000 0.283 734 T C 0.504 175.263 174.700 0.099 0.000 0.992 734 T CA -0.652 61.587 62.100 0.231 0.000 0.954 734 T CB 1.527 70.478 68.868 0.138 0.000 0.934 734 T HN 0.271 nan 8.240 nan 0.000 0.440 735 R N 3.037 123.431 120.500 -0.176 0.000 2.489 735 R HA 0.205 4.545 4.340 -0.000 0.000 0.287 735 R C -0.708 175.428 176.300 -0.272 0.000 1.053 735 R CA -0.176 55.610 56.100 -0.523 0.000 1.036 735 R CB 0.233 29.622 30.300 -1.519 0.000 0.966 735 R HN 0.699 nan 8.270 nan 0.000 0.432 736 D N 2.478 122.774 120.400 -0.173 0.000 2.350 736 D HA 0.681 5.321 4.640 -0.000 0.000 0.245 736 D C -0.264 175.968 176.300 -0.114 0.000 1.036 736 D CA -0.671 53.260 54.000 -0.115 0.000 0.848 736 D CB 2.119 42.888 40.800 -0.052 0.000 1.307 736 D HN 0.630 nan 8.370 nan 0.000 0.469 737 G N 0.000 108.745 108.800 -0.092 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 45.057 45.100 -0.072 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925