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_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV 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 0.000 175.509 175.510 -0.002 0.000 1.280 4 N CA 0.000 53.052 53.050 0.004 0.000 0.885 4 N CB 0.000 38.490 38.487 0.005 0.000 1.341 5 L N 1.121 122.343 121.223 -0.001 0.000 2.629 5 L HA -0.118 4.223 4.340 0.001 0.000 0.595 5 L C -1.238 175.609 176.870 -0.039 0.000 1.000 5 L CA -0.046 54.788 54.840 -0.010 0.000 1.304 5 L CB -0.389 41.668 42.059 -0.003 0.000 1.841 5 L HN 0.365 nan 8.230 nan 0.000 0.901 6 L N 4.805 126.008 121.223 -0.034 0.000 2.439 6 L HA 0.716 5.056 4.340 0.001 0.000 0.261 6 L C 0.092 176.909 176.870 -0.089 0.000 1.153 6 L CA -0.416 54.395 54.840 -0.047 0.000 0.808 6 L CB 1.455 43.501 42.059 -0.021 0.000 1.126 6 L HN 0.312 nan 8.230 nan 0.000 0.460 7 V N 0.257 120.114 119.914 -0.094 0.000 2.841 7 V HA 0.371 4.491 4.120 0.001 0.000 0.310 7 V C -0.409 175.633 176.094 -0.087 0.000 1.090 7 V CA -0.595 61.624 62.300 -0.134 0.000 0.930 7 V CB 2.434 34.156 31.823 -0.169 0.000 1.014 7 V HN 0.745 nan 8.190 nan 0.000 0.425 8 T N 4.860 119.361 114.554 -0.087 0.000 2.743 8 T HA 0.319 4.669 4.350 0.001 0.000 0.292 8 T C 0.026 174.702 174.700 -0.040 0.000 0.972 8 T CA -0.410 61.663 62.100 -0.045 0.000 0.967 8 T CB 0.668 69.522 68.868 -0.022 0.000 0.926 8 T HN 0.423 nan 8.240 nan 0.000 0.459 9 K N 2.196 122.582 120.400 -0.022 0.000 2.180 9 K HA 0.234 4.554 4.320 0.001 0.000 0.251 9 K C 1.478 178.081 176.600 0.005 0.000 1.014 9 K CA -0.358 55.925 56.287 -0.007 0.000 0.913 9 K CB 0.606 33.105 32.500 -0.002 0.000 1.008 9 K HN 0.518 nan 8.250 nan 0.000 0.490 10 R N 0.806 121.316 120.500 0.016 0.000 2.211 10 R HA -0.171 4.170 4.340 0.001 0.000 0.240 10 R C 1.500 177.808 176.300 0.012 0.000 1.144 10 R CA 2.042 58.153 56.100 0.018 0.000 0.992 10 R CB 0.009 30.321 30.300 0.020 0.000 0.869 10 R HN 0.668 nan 8.270 nan 0.000 0.462 11 D N -2.456 117.950 120.400 0.009 0.000 2.201 11 D HA -0.016 4.625 4.640 0.001 0.000 0.209 11 D C 1.286 177.590 176.300 0.007 0.000 0.961 11 D CA 1.479 55.484 54.000 0.008 0.000 0.861 11 D CB 0.188 40.992 40.800 0.006 0.000 0.997 11 D HN 0.292 nan 8.370 nan 0.000 0.486 12 G N 0.468 109.272 108.800 0.006 0.000 2.870 12 G HA2 -0.137 3.823 3.960 0.001 0.000 0.216 12 G HA3 -0.137 3.823 3.960 0.001 0.000 0.216 12 G C 0.410 175.311 174.900 0.003 0.000 0.973 12 G CA 0.312 45.415 45.100 0.006 0.000 0.807 12 G HN 0.608 nan 8.290 nan 0.000 0.573 13 S N -0.450 115.250 115.700 0.000 0.000 2.596 13 S HA 0.768 5.238 4.470 0.001 0.000 0.262 13 S C 0.206 174.801 174.600 -0.007 0.000 1.218 13 S CA 0.452 58.651 58.200 -0.002 0.000 0.998 13 S CB 1.802 65.001 63.200 -0.002 0.000 1.060 13 S HN 1.338 nan 8.310 nan 0.000 0.552 14 T N 0.356 114.904 114.554 -0.010 0.000 3.172 14 T HA 0.503 4.853 4.350 0.001 0.000 0.320 14 T C -1.803 172.887 174.700 -0.018 0.000 1.085 14 T CA -0.649 61.441 62.100 -0.016 0.000 1.052 14 T CB 1.008 69.870 68.868 -0.010 0.000 1.107 14 T HN 0.939 nan 8.240 nan 0.000 0.458 15 E N 3.515 123.699 120.200 -0.027 0.000 2.445 15 E HA 0.442 4.792 4.350 0.001 0.000 0.279 15 E C -1.022 175.555 176.600 -0.038 0.000 1.018 15 E CA -1.110 55.275 56.400 -0.026 0.000 0.816 15 E CB 1.159 30.846 29.700 -0.021 0.000 1.356 15 E HN 0.680 nan 8.360 nan 0.000 0.462 16 R N 0.515 120.996 120.500 -0.031 0.000 2.640 16 R HA 0.170 4.510 4.340 0.001 0.000 0.270 16 R C 0.647 176.914 176.300 -0.054 0.000 1.024 16 R CA -0.204 55.875 56.100 -0.036 0.000 1.085 16 R CB 0.245 30.532 30.300 -0.022 0.000 0.963 16 R HN 0.447 nan 8.270 nan 0.000 0.426 17 I N 2.724 123.251 120.570 -0.071 0.000 2.556 17 I HA -0.064 4.106 4.170 0.001 0.000 0.284 17 I C -0.189 175.888 176.117 -0.066 0.000 1.114 17 I CA 0.100 61.337 61.300 -0.106 0.000 1.418 17 I CB 0.592 38.502 38.000 -0.150 0.000 1.394 17 I HN 0.582 nan 8.210 nan 0.000 0.552 18 N N 7.710 126.371 118.700 -0.065 0.000 2.918 18 N HA 0.170 4.910 4.740 0.001 0.000 0.247 18 N C 0.921 176.433 175.510 0.003 0.000 1.117 18 N CA -0.248 52.788 53.050 -0.023 0.000 1.005 18 N CB 0.180 38.660 38.487 -0.011 0.000 1.297 18 N HN 0.595 nan 8.380 nan 0.000 0.513 19 L N 0.353 121.592 121.223 0.027 0.000 2.349 19 L HA -0.147 4.194 4.340 0.001 0.000 0.220 19 L C 1.267 178.207 176.870 0.117 0.000 1.130 19 L CA 0.978 55.878 54.840 0.100 0.000 0.791 19 L CB -0.022 42.105 42.059 0.112 0.000 0.918 19 L HN 0.372 nan 8.230 nan 0.000 0.444 20 D N -0.490 119.952 120.400 0.070 0.000 2.269 20 D HA -0.101 4.539 4.640 0.001 0.000 0.220 20 D C 2.100 178.450 176.300 0.083 0.000 0.962 20 D CA 0.396 54.441 54.000 0.075 0.000 0.884 20 D CB 0.081 40.903 40.800 0.036 0.000 1.023 20 D HN 0.069 nan 8.370 nan 0.000 0.484 21 K N 1.661 122.091 120.400 0.049 0.000 2.044 21 K HA -0.129 4.192 4.320 0.001 0.000 0.210 21 K C 2.272 178.888 176.600 0.027 0.000 1.049 21 K CA 0.710 57.017 56.287 0.033 0.000 0.927 21 K CB -0.589 31.930 32.500 0.031 0.000 0.713 21 K HN 0.206 nan 8.250 nan 0.000 0.443 22 I N -0.337 120.264 120.570 0.053 0.000 2.076 22 I HA -0.340 3.830 4.170 0.001 0.000 0.237 22 I C 2.541 178.709 176.117 0.086 0.000 1.059 22 I CA 1.883 63.224 61.300 0.069 0.000 1.317 22 I CB -0.540 37.539 38.000 0.131 0.000 1.037 22 I HN 0.344 nan 8.210 nan 0.000 0.398 23 H N 1.102 120.202 119.070 0.050 0.000 2.353 23 H HA -0.173 4.384 4.556 0.001 0.000 0.298 23 H C 2.428 177.768 175.328 0.019 0.000 1.103 23 H CA 1.868 57.938 56.048 0.036 0.000 1.293 23 H CB 0.052 29.835 29.762 0.034 0.000 1.372 23 H HN 0.114 nan 8.280 nan 0.000 0.501 24 R N -0.551 120.009 120.500 0.101 0.000 2.083 24 R HA -0.122 4.219 4.340 0.001 0.000 0.237 24 R C 2.453 178.740 176.300 -0.022 0.000 1.137 24 R CA 1.574 57.699 56.100 0.042 0.000 0.951 24 R CB -0.449 29.872 30.300 0.034 0.000 0.851 24 R HN 0.215 nan 8.270 nan 0.000 0.434 25 V N 1.623 121.479 119.914 -0.096 0.000 2.295 25 V HA -0.246 3.874 4.120 0.001 0.000 0.246 25 V C 2.370 178.467 176.094 0.005 0.000 1.049 25 V CA 1.688 63.878 62.300 -0.185 0.000 1.024 25 V CB -0.435 31.092 31.823 -0.494 0.000 0.648 25 V HN 0.302 nan 8.190 nan 0.000 0.447 26 L N -0.359 120.831 121.223 -0.056 0.000 2.042 26 L HA -0.232 4.109 4.340 0.001 0.000 0.210 26 L C 2.457 179.265 176.870 -0.103 0.000 1.076 26 L CA 1.874 56.671 54.840 -0.071 0.000 0.749 26 L CB -0.651 41.333 42.059 -0.126 0.000 0.893 26 L HN 0.422 nan 8.230 nan 0.000 0.432 27 D N -0.809 119.502 120.400 -0.149 0.000 2.117 27 D HA -0.238 4.403 4.640 0.001 0.000 0.198 27 D C 1.861 178.157 176.300 -0.006 0.000 0.982 27 D CA 1.178 55.106 54.000 -0.118 0.000 0.828 27 D CB 0.001 40.736 40.800 -0.108 0.000 0.967 27 D HN 0.421 nan 8.370 nan 0.000 0.464 28 W N 2.025 123.247 121.300 -0.130 0.000 2.333 28 W HA -0.200 4.461 4.660 0.001 0.000 0.316 28 W C 2.261 178.739 176.519 -0.069 0.000 1.215 28 W CA 2.549 59.836 57.345 -0.097 0.000 1.278 28 W CB -0.570 28.810 29.460 -0.133 0.000 1.154 28 W HN -0.057 nan 8.180 nan 0.000 0.486 29 A N 0.488 123.168 122.820 -0.234 0.000 2.070 29 A HA 0.052 4.373 4.320 0.001 0.000 0.220 29 A C 2.021 179.414 177.584 -0.318 0.000 1.159 29 A CA 2.015 53.770 52.037 -0.471 0.000 0.656 29 A CB -1.319 17.600 19.000 -0.134 0.000 0.800 29 A HN 0.493 nan 8.150 nan 0.000 0.453 30 A N -0.511 122.176 122.820 -0.223 0.000 2.072 30 A HA 0.182 4.503 4.320 0.001 0.000 0.216 30 A C 0.912 178.370 177.584 -0.210 0.000 1.156 30 A CA 0.608 52.528 52.037 -0.195 0.000 0.701 30 A CB -0.316 18.585 19.000 -0.165 0.000 0.816 30 A HN 0.482 nan 8.150 nan 0.000 0.458 31 E N -0.154 119.910 120.200 -0.227 0.000 3.601 31 E HA 0.081 4.431 4.350 0.001 0.000 0.255 31 E C 1.299 177.783 176.600 -0.194 0.000 0.855 31 E CA 1.257 57.538 56.400 -0.199 0.000 0.956 31 E CB -0.806 28.753 29.700 -0.234 0.000 0.892 31 E HN 0.929 nan 8.360 nan 0.000 0.575 32 G N 3.214 111.898 108.800 -0.193 0.000 2.212 32 G HA2 -0.311 3.649 3.960 0.001 0.000 0.266 32 G HA3 -0.311 3.649 3.960 0.001 0.000 0.266 32 G C 0.267 174.993 174.900 -0.290 0.000 0.978 32 G CA 0.339 45.315 45.100 -0.207 0.000 0.632 32 G HN 0.485 nan 8.290 nan 0.000 0.537 33 L N 0.444 121.502 121.223 -0.274 0.000 2.395 33 L HA 0.630 4.971 4.340 0.001 0.000 0.269 33 L C 0.563 177.219 176.870 -0.356 0.000 1.133 33 L CA -0.829 53.879 54.840 -0.220 0.000 0.812 33 L CB 0.750 42.715 42.059 -0.157 0.000 1.125 33 L HN 0.187 nan 8.230 nan 0.000 0.452 34 H N 1.150 120.170 119.070 -0.083 0.000 2.492 34 H HA 0.256 4.813 4.556 0.001 0.000 0.345 34 H C 0.168 175.436 175.328 -0.101 0.000 1.136 34 H CA -0.576 55.429 56.048 -0.072 0.000 1.202 34 H CB 1.160 30.902 29.762 -0.035 0.000 1.524 34 H HN 0.628 nan 8.280 nan 0.000 0.506 35 N N 0.011 118.717 118.700 0.011 0.000 2.776 35 N HA -0.174 4.566 4.740 0.001 0.000 0.250 35 N C -1.220 174.200 175.510 -0.150 0.000 1.112 35 N CA 0.899 53.933 53.050 -0.028 0.000 0.733 35 N CB -0.928 37.569 38.487 0.017 0.000 1.097 35 N HN 0.367 nan 8.380 nan 0.000 0.558 36 V N -2.609 117.142 119.914 -0.273 0.000 2.459 36 V HA 0.795 4.916 4.120 0.001 0.000 0.295 36 V C 0.454 176.436 176.094 -0.187 0.000 1.029 36 V CA -0.502 61.477 62.300 -0.535 0.000 0.874 36 V CB 1.935 33.304 31.823 -0.757 0.000 0.985 36 V HN 0.179 nan 8.190 nan 0.000 0.438 37 S N 3.705 119.417 115.700 0.019 0.000 2.438 37 S HA 0.551 5.021 4.470 0.001 0.000 0.316 37 S C 0.762 175.401 174.600 0.065 0.000 1.084 37 S CA -0.731 57.504 58.200 0.059 0.000 1.107 37 S CB 0.795 64.051 63.200 0.093 0.000 0.981 37 S HN 0.724 nan 8.310 nan 0.000 0.466 38 I N 4.061 124.632 120.570 0.003 0.000 2.315 38 I HA -0.132 4.038 4.170 0.001 0.000 0.248 38 I C 2.526 178.638 176.117 -0.009 0.000 1.117 38 I CA 1.370 62.658 61.300 -0.021 0.000 1.404 38 I CB -0.213 37.730 38.000 -0.094 0.000 1.071 38 I HN 0.789 nan 8.210 nan 0.000 0.419 39 S N -0.050 115.653 115.700 0.006 0.000 2.428 39 S HA -0.148 4.323 4.470 0.001 0.000 0.230 39 S C 1.897 176.466 174.600 -0.052 0.000 1.014 39 S CA 0.461 58.649 58.200 -0.021 0.000 0.957 39 S CB -0.273 62.924 63.200 -0.004 0.000 0.784 39 S HN 0.387 nan 8.310 nan 0.000 0.499 40 Q N 1.202 120.992 119.800 -0.017 0.000 2.030 40 Q HA -0.069 4.271 4.340 0.001 0.000 0.204 40 Q C 2.547 178.510 176.000 -0.063 0.000 0.986 40 Q CA 1.746 57.531 55.803 -0.030 0.000 0.843 40 Q CB -0.924 27.823 28.738 0.015 0.000 0.904 40 Q HN 0.574 nan 8.270 nan 0.000 0.420 41 V N 1.166 121.061 119.914 -0.031 0.000 2.295 41 V HA -0.256 3.865 4.120 0.001 0.000 0.246 41 V C 2.187 178.215 176.094 -0.109 0.000 1.049 41 V CA 1.967 64.239 62.300 -0.047 0.000 1.024 41 V CB -0.623 31.209 31.823 0.016 0.000 0.648 41 V HN 0.354 nan 8.190 nan 0.000 0.447 42 E N 0.149 120.249 120.200 -0.167 0.000 2.033 42 E HA -0.232 4.118 4.350 0.001 0.000 0.199 42 E C 2.236 178.547 176.600 -0.482 0.000 1.011 42 E CA 1.787 57.928 56.400 -0.433 0.000 0.815 42 E CB -0.307 29.134 29.700 -0.432 0.000 0.755 42 E HN 0.480 nan 8.360 nan 0.000 0.451 43 L N 0.215 121.268 121.223 -0.283 0.000 1.990 43 L HA -0.263 4.077 4.340 0.001 0.000 0.213 43 L C 2.634 179.401 176.870 -0.171 0.000 1.072 43 L CA 1.543 56.266 54.840 -0.195 0.000 0.755 43 L CB -0.432 41.554 42.059 -0.121 0.000 0.889 43 L HN 0.078 nan 8.230 nan 0.000 0.432 44 R N -0.412 119.998 120.500 -0.151 0.000 2.189 44 R HA -0.102 4.238 4.340 0.001 0.000 0.223 44 R C 2.420 178.626 176.300 -0.157 0.000 1.092 44 R CA 1.447 57.468 56.100 -0.132 0.000 0.989 44 R CB -0.090 30.139 30.300 -0.117 0.000 0.876 44 R HN 0.524 nan 8.270 nan 0.000 0.457 45 S N -1.453 114.127 115.700 -0.201 0.000 2.468 45 S HA 0.024 4.495 4.470 0.001 0.000 0.226 45 S C 1.592 175.728 174.600 -0.773 0.000 1.051 45 S CA 0.033 58.057 58.200 -0.294 0.000 0.943 45 S CB -0.270 62.865 63.200 -0.108 0.000 0.810 45 S HN 0.394 nan 8.310 nan 0.000 0.509 46 H N 0.676 119.224 119.070 -0.869 0.000 2.387 46 H HA 0.078 4.634 4.556 0.001 0.000 0.299 46 H C 1.968 176.918 175.328 -0.631 0.000 1.090 46 H CA 1.247 56.659 56.048 -1.060 0.000 1.332 46 H CB -0.114 29.419 29.762 -0.381 0.000 1.386 46 H HN 0.289 nan 8.280 nan 0.000 0.516 47 I N 1.620 122.051 120.570 -0.231 0.000 2.657 47 I HA -0.242 3.929 4.170 0.001 0.000 0.261 47 I C 1.496 177.559 176.117 -0.089 0.000 1.212 47 I CA 1.415 62.645 61.300 -0.116 0.000 1.453 47 I CB -0.126 37.827 38.000 -0.079 0.000 1.092 47 I HN 0.257 nan 8.210 nan 0.000 0.452 48 Q N -0.887 118.810 119.800 -0.171 0.000 2.319 48 Q HA 0.115 4.455 4.340 0.001 0.000 0.202 48 Q C -0.285 175.835 176.000 0.200 0.000 0.896 48 Q CA -0.207 55.600 55.803 0.008 0.000 0.942 48 Q CB 0.211 28.954 28.738 0.009 0.000 1.083 48 Q HN 0.221 nan 8.270 nan 0.000 0.510 49 F N 1.599 121.550 119.950 0.003 0.000 2.443 49 F HA 0.200 4.728 4.527 0.001 0.000 0.353 49 F C 0.135 175.922 175.800 -0.021 0.000 1.101 49 F CA -1.702 56.229 58.000 -0.114 0.000 1.226 49 F CB -0.158 38.732 39.000 -0.184 0.000 1.140 49 F HN -0.016 nan 8.300 nan 0.000 0.557 50 Y N -1.384 119.009 120.300 0.155 0.000 2.549 50 Y HA 0.526 5.077 4.550 0.001 0.000 0.339 50 Y C -0.447 175.468 175.900 0.025 0.000 1.053 50 Y CA -2.111 56.031 58.100 0.071 0.000 1.105 50 Y CB 0.431 38.920 38.460 0.048 0.000 1.258 50 Y HN 0.539 nan 8.280 nan 0.000 0.478 51 D N 1.038 121.549 120.400 0.185 0.000 2.450 51 D HA 0.354 4.994 4.640 0.001 0.000 0.247 51 D C 1.131 177.501 176.300 0.116 0.000 1.162 51 D CA 2.227 56.281 54.000 0.089 0.000 0.879 51 D CB 0.240 41.087 40.800 0.079 0.000 1.163 51 D HN 1.049 nan 8.370 nan 0.000 0.472 52 G N 3.586 112.395 108.800 0.016 0.000 2.176 52 G HA2 -0.303 3.658 3.960 0.001 0.000 0.253 52 G HA3 -0.303 3.658 3.960 0.001 0.000 0.253 52 G C 0.616 175.507 174.900 -0.014 0.000 0.979 52 G CA -0.028 45.086 45.100 0.022 0.000 0.641 52 G HN 0.697 nan 8.290 nan 0.000 0.530 53 I N 1.921 122.357 120.570 -0.224 0.000 2.821 53 I HA 0.200 4.370 4.170 0.001 0.000 0.294 53 I C 1.334 177.280 176.117 -0.286 0.000 1.210 53 I CA 0.185 61.161 61.300 -0.541 0.000 1.430 53 I CB 0.277 37.613 38.000 -1.107 0.000 1.356 53 I HN 0.407 nan 8.210 nan 0.000 0.563 54 K N 4.893 125.201 120.400 -0.152 0.000 2.219 54 K HA 0.170 4.490 4.320 0.001 0.000 0.258 54 K C 0.504 177.018 176.600 -0.143 0.000 1.008 54 K CA -0.422 55.807 56.287 -0.096 0.000 0.928 54 K CB 0.787 33.279 32.500 -0.013 0.000 0.983 54 K HN 0.615 nan 8.250 nan 0.000 0.484 55 T N 0.770 115.271 114.554 -0.088 0.000 2.777 55 T HA -0.172 4.179 4.350 0.001 0.000 0.266 55 T C 2.022 176.729 174.700 0.011 0.000 1.040 55 T CA 1.752 63.796 62.100 -0.092 0.000 1.141 55 T CB -0.397 68.473 68.868 0.003 0.000 0.868 55 T HN 0.805 nan 8.240 nan 0.000 0.444 56 S N 2.384 118.149 115.700 0.108 0.000 2.374 56 S HA -0.227 4.244 4.470 0.001 0.000 0.227 56 S C 1.665 176.324 174.600 0.098 0.000 1.037 56 S CA 1.379 59.699 58.200 0.201 0.000 1.024 56 S CB -0.643 62.658 63.200 0.168 0.000 0.861 56 S HN 0.368 nan 8.310 nan 0.000 0.456 57 D N 1.670 122.074 120.400 0.007 0.000 2.144 57 D HA 0.046 4.686 4.640 0.001 0.000 0.199 57 D C 1.910 178.166 176.300 -0.073 0.000 0.984 57 D CA 0.949 54.935 54.000 -0.022 0.000 0.834 57 D CB -0.357 40.425 40.800 -0.030 0.000 0.955 57 D HN 0.462 nan 8.370 nan 0.000 0.465 58 I N 0.382 120.815 120.570 -0.228 0.000 2.179 58 I HA -0.290 3.881 4.170 0.001 0.000 0.242 58 I C 2.144 178.167 176.117 -0.157 0.000 1.088 58 I CA 1.282 62.361 61.300 -0.368 0.000 1.357 58 I CB -0.286 37.283 38.000 -0.717 0.000 1.051 58 I HN 0.077 nan 8.210 nan 0.000 0.409 59 H N 0.309 119.366 119.070 -0.021 0.000 2.357 59 H HA -0.139 4.418 4.556 0.001 0.000 0.301 59 H C 2.183 177.476 175.328 -0.059 0.000 1.082 59 H CA 1.456 57.507 56.048 0.005 0.000 1.342 59 H CB -0.019 29.782 29.762 0.064 0.000 1.389 59 H HN 0.325 nan 8.280 nan 0.000 0.511 60 E N -0.225 119.960 120.200 -0.024 0.000 2.110 60 E HA -0.145 4.205 4.350 0.001 0.000 0.193 60 E C 2.008 178.628 176.600 0.032 0.000 0.988 60 E CA 1.648 58.014 56.400 -0.057 0.000 0.804 60 E CB 0.011 29.673 29.700 -0.064 0.000 0.745 60 E HN 0.410 nan 8.360 nan 0.000 0.458 61 T N 1.885 116.488 114.554 0.081 0.000 2.777 61 T HA -0.106 4.244 4.350 0.001 0.000 0.266 61 T C 1.916 176.681 174.700 0.107 0.000 1.040 61 T CA 1.105 63.279 62.100 0.124 0.000 1.141 61 T CB -0.133 68.892 68.868 0.262 0.000 0.868 61 T HN 0.263 nan 8.240 nan 0.000 0.444 62 I N 0.674 121.330 120.570 0.143 0.000 2.439 62 I HA -0.024 4.147 4.170 0.001 0.000 0.251 62 I C 2.000 178.156 176.117 0.065 0.000 1.139 62 I CA 1.441 62.812 61.300 0.117 0.000 1.438 62 I CB -0.920 37.178 38.000 0.165 0.000 1.085 62 I HN 0.239 nan 8.210 nan 0.000 0.427 63 I N 1.782 122.394 120.570 0.070 0.000 2.142 63 I HA -0.302 3.868 4.170 0.001 0.000 0.240 63 I C 2.761 178.845 176.117 -0.055 0.000 1.078 63 I CA 1.828 63.152 61.300 0.040 0.000 1.343 63 I CB -0.495 37.561 38.000 0.093 0.000 1.046 63 I HN 0.215 nan 8.210 nan 0.000 0.405 64 K N 1.240 121.627 120.400 -0.023 0.000 2.063 64 K HA -0.199 4.122 4.320 0.001 0.000 0.208 64 K C 2.133 178.674 176.600 -0.099 0.000 1.048 64 K CA 1.578 57.833 56.287 -0.054 0.000 0.928 64 K CB -0.147 32.352 32.500 -0.001 0.000 0.713 64 K HN 0.315 nan 8.250 nan 0.000 0.442 65 A N 0.679 123.457 122.820 -0.069 0.000 1.930 65 A HA -0.059 4.261 4.320 0.001 0.000 0.217 65 A C 2.280 179.777 177.584 -0.145 0.000 1.175 65 A CA 1.731 53.711 52.037 -0.096 0.000 0.627 65 A CB -0.718 18.241 19.000 -0.068 0.000 0.815 65 A HN 0.480 nan 8.150 nan 0.000 0.443 66 A N -0.160 122.591 122.820 -0.115 0.000 1.897 66 A HA 0.251 4.572 4.320 0.001 0.000 0.215 66 A C 2.488 179.941 177.584 -0.217 0.000 1.181 66 A CA 1.749 53.727 52.037 -0.099 0.000 0.620 66 A CB -0.979 18.032 19.000 0.018 0.000 0.821 66 A HN 1.015 nan 8.150 nan 0.000 0.443 67 A N 0.159 122.780 122.820 -0.333 0.000 1.940 67 A HA -0.217 4.104 4.320 0.001 0.000 0.219 67 A C 1.675 179.093 177.584 -0.277 0.000 1.176 67 A CA 1.932 53.681 52.037 -0.480 0.000 0.631 67 A CB -0.591 17.974 19.000 -0.726 0.000 0.814 67 A HN 0.441 nan 8.150 nan 0.000 0.446 68 D N -0.403 119.860 120.400 -0.229 0.000 2.310 68 D HA -0.024 4.617 4.640 0.001 0.000 0.212 68 D C 1.437 177.590 176.300 -0.244 0.000 0.965 68 D CA 0.677 54.566 54.000 -0.185 0.000 0.879 68 D CB -0.105 40.607 40.800 -0.148 0.000 0.921 68 D HN 0.473 nan 8.370 nan 0.000 0.510 69 L N 0.396 121.383 121.223 -0.395 0.000 2.592 69 L HA 0.178 4.519 4.340 0.001 0.000 0.227 69 L C 0.647 177.271 176.870 -0.409 0.000 1.127 69 L CA -0.193 54.280 54.840 -0.612 0.000 0.884 69 L CB 0.217 41.460 42.059 -1.361 0.000 1.065 69 L HN -0.156 nan 8.230 nan 0.000 0.457 70 I N 0.853 121.311 120.570 -0.186 0.000 2.664 70 I HA -0.043 4.128 4.170 0.001 0.000 0.284 70 I C 0.638 176.730 176.117 -0.042 0.000 1.154 70 I CA 0.603 61.886 61.300 -0.028 0.000 1.402 70 I CB 0.220 38.205 38.000 -0.025 0.000 1.395 70 I HN 0.211 nan 8.210 nan 0.000 0.545 71 S N 5.772 121.467 115.700 -0.009 0.000 2.625 71 S HA 0.466 4.936 4.470 0.001 0.000 0.271 71 S C 0.678 175.219 174.600 -0.098 0.000 1.161 71 S CA -1.148 57.019 58.200 -0.055 0.000 0.820 71 S CB 1.689 64.862 63.200 -0.044 0.000 1.137 71 S HN 0.668 nan 8.310 nan 0.000 0.470 72 R N 0.818 121.193 120.500 -0.209 0.000 2.096 72 R HA -0.036 4.304 4.340 0.001 0.000 0.235 72 R C 0.491 176.666 176.300 -0.209 0.000 1.127 72 R CA 1.557 57.385 56.100 -0.454 0.000 0.968 72 R CB -0.869 28.971 30.300 -0.767 0.000 0.861 72 R HN 0.654 nan 8.270 nan 0.000 0.440 73 D N 1.326 121.678 120.400 -0.080 0.000 2.224 73 D HA -0.006 4.634 4.640 0.001 0.000 0.205 73 D C 0.316 176.639 176.300 0.039 0.000 0.965 73 D CA 1.205 55.204 54.000 -0.000 0.000 0.852 73 D CB 0.281 41.080 40.800 -0.001 0.000 0.947 73 D HN 0.349 nan 8.370 nan 0.000 0.494 74 A N 1.430 124.291 122.820 0.068 0.000 3.159 74 A HA 0.316 4.636 4.320 0.001 0.000 0.330 74 A C -1.840 175.836 177.584 0.153 0.000 1.032 74 A CA -0.970 51.147 52.037 0.133 0.000 0.841 74 A CB 1.043 20.211 19.000 0.280 0.000 1.093 74 A HN -0.130 nan 8.150 nan 0.000 0.478 75 P HA -0.099 nan 4.420 nan 0.000 0.221 75 P C 0.310 177.686 177.300 0.126 0.000 1.150 75 P CA 0.989 64.142 63.100 0.089 0.000 0.800 75 P CB 0.340 32.097 31.700 0.095 0.000 0.787 76 D N -1.108 119.353 120.400 0.102 0.000 2.350 76 D HA -0.124 4.516 4.640 0.001 0.000 0.216 76 D C 1.552 177.866 176.300 0.024 0.000 0.968 76 D CA 0.705 54.773 54.000 0.112 0.000 0.894 76 D CB -0.799 40.018 40.800 0.028 0.000 0.909 76 D HN 0.206 nan 8.370 nan 0.000 0.520 77 Y N 0.927 121.245 120.300 0.030 0.000 2.403 77 Y HA -0.133 4.417 4.550 0.001 0.000 0.291 77 Y C 2.425 178.291 175.900 -0.058 0.000 1.143 77 Y CA 0.821 58.905 58.100 -0.026 0.000 1.257 77 Y CB -0.241 38.183 38.460 -0.061 0.000 0.984 77 Y HN 0.072 nan 8.280 nan 0.000 0.550 78 Q N -1.331 118.510 119.800 0.068 0.000 2.124 78 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 78 Q C 1.364 177.251 176.000 -0.189 0.000 0.977 78 Q CA 1.819 57.565 55.803 -0.095 0.000 0.850 78 Q CB -0.160 28.437 28.738 -0.234 0.000 0.901 78 Q HN 0.582 nan 8.270 nan 0.000 0.429 79 Y N -0.985 119.363 120.300 0.081 0.000 2.347 79 Y HA -0.087 4.464 4.550 0.001 0.000 0.294 79 Y C 1.835 177.758 175.900 0.037 0.000 1.117 79 Y CA 0.296 58.438 58.100 0.070 0.000 1.184 79 Y CB -0.135 38.343 38.460 0.029 0.000 1.047 79 Y HN 0.109 nan 8.280 nan 0.000 0.546 80 L N 0.310 121.605 121.223 0.119 0.000 2.079 80 L HA -0.181 4.159 4.340 0.001 0.000 0.210 80 L C 2.282 179.198 176.870 0.077 0.000 1.081 80 L CA 2.048 56.916 54.840 0.046 0.000 0.752 80 L CB -0.707 41.349 42.059 -0.005 0.000 0.896 80 L HN 0.153 nan 8.230 nan 0.000 0.433 81 A N -0.929 121.927 122.820 0.061 0.000 1.930 81 A HA 0.069 4.389 4.320 0.001 0.000 0.215 81 A C 2.417 180.127 177.584 0.210 0.000 1.176 81 A CA 1.263 53.301 52.037 0.002 0.000 0.632 81 A CB -0.942 17.834 19.000 -0.372 0.000 0.819 81 A HN 0.535 nan 8.150 nan 0.000 0.445 82 A N 0.316 123.303 122.820 0.278 0.000 1.858 82 A HA -0.167 4.153 4.320 0.001 0.000 0.216 82 A C 2.245 180.027 177.584 0.331 0.000 1.190 82 A CA 1.547 53.792 52.037 0.346 0.000 0.617 82 A CB -0.503 18.676 19.000 0.299 0.000 0.827 82 A HN 0.531 nan 8.150 nan 0.000 0.443 83 R N -0.588 120.075 120.500 0.273 0.000 2.081 83 R HA -0.057 4.283 4.340 0.001 0.000 0.235 83 R C 2.125 178.687 176.300 0.437 0.000 1.131 83 R CA 1.443 57.703 56.100 0.267 0.000 0.960 83 R CB -0.597 29.662 30.300 -0.068 0.000 0.856 83 R HN 0.496 nan 8.270 nan 0.000 0.436 84 L N 0.239 121.661 121.223 0.331 0.000 2.012 84 L HA -0.206 4.135 4.340 0.001 0.000 0.210 84 L C 2.686 179.802 176.870 0.410 0.000 1.073 84 L CA 1.400 56.454 54.840 0.355 0.000 0.748 84 L CB -0.564 41.625 42.059 0.217 0.000 0.891 84 L HN 0.281 nan 8.230 nan 0.000 0.431 85 A N -0.218 122.822 122.820 0.367 0.000 1.933 85 A HA -0.170 4.151 4.320 0.001 0.000 0.218 85 A C 2.149 179.947 177.584 0.356 0.000 1.175 85 A CA 1.229 53.484 52.037 0.363 0.000 0.628 85 A CB -0.451 18.761 19.000 0.353 0.000 0.814 85 A HN 0.284 nan 8.150 nan 0.000 0.444 86 I N -1.540 119.260 120.570 0.383 0.000 2.252 86 I HA -0.183 3.987 4.170 0.001 0.000 0.245 86 I C 2.280 178.634 176.117 0.395 0.000 1.102 86 I CA 1.141 62.656 61.300 0.357 0.000 1.385 86 I CB -1.377 36.891 38.000 0.447 0.000 1.064 86 I HN 0.445 nan 8.210 nan 0.000 0.414 87 F N 1.704 121.899 119.950 0.408 0.000 2.065 87 F HA -0.340 4.188 4.527 0.001 0.000 0.298 87 F C 2.917 178.792 175.800 0.125 0.000 1.112 87 F CA 2.464 60.658 58.000 0.322 0.000 1.212 87 F CB -0.590 38.537 39.000 0.211 0.000 0.975 87 F HN 0.235 nan 8.300 nan 0.000 0.476 88 H N -0.129 119.078 119.070 0.229 0.000 2.387 88 H HA -0.156 4.401 4.556 0.001 0.000 0.299 88 H C 1.993 177.282 175.328 -0.066 0.000 1.099 88 H CA 2.355 58.403 56.048 -0.001 0.000 1.315 88 H CB -0.446 29.361 29.762 0.075 0.000 1.380 88 H HN 0.399 nan 8.280 nan 0.000 0.513 89 L N -0.364 120.763 121.223 -0.161 0.000 2.109 89 L HA -0.085 4.256 4.340 0.001 0.000 0.207 89 L C 2.741 179.401 176.870 -0.350 0.000 1.086 89 L CA 0.738 55.410 54.840 -0.281 0.000 0.760 89 L CB -0.258 41.729 42.059 -0.121 0.000 0.910 89 L HN 0.258 nan 8.230 nan 0.000 0.437 90 R N 0.364 120.696 120.500 -0.279 0.000 2.073 90 R HA -0.155 4.186 4.340 0.001 0.000 0.234 90 R C 2.222 178.303 176.300 -0.366 0.000 1.134 90 R CA 1.273 57.161 56.100 -0.353 0.000 0.952 90 R CB -0.434 29.701 30.300 -0.275 0.000 0.850 90 R HN 0.366 nan 8.270 nan 0.000 0.433 91 K N 0.718 120.911 120.400 -0.346 0.000 2.026 91 K HA -0.167 4.153 4.320 0.001 0.000 0.208 91 K C 2.046 178.485 176.600 -0.268 0.000 1.048 91 K CA 1.230 57.347 56.287 -0.282 0.000 0.929 91 K CB -0.127 32.201 32.500 -0.287 0.000 0.713 91 K HN -0.132 nan 8.250 nan 0.000 0.439 92 K N 0.454 120.638 120.400 -0.360 0.000 2.281 92 K HA -0.137 4.183 4.320 0.001 0.000 0.203 92 K C 1.429 177.847 176.600 -0.303 0.000 1.046 92 K CA 1.354 57.437 56.287 -0.339 0.000 0.938 92 K CB 0.011 32.225 32.500 -0.476 0.000 0.737 92 K HN 0.220 nan 8.250 nan 0.000 0.458 93 A N -1.519 121.057 122.820 -0.406 0.000 1.970 93 A HA 0.125 4.446 4.320 0.001 0.000 0.204 93 A C 0.970 178.365 177.584 -0.314 0.000 1.325 93 A CA 0.337 52.074 52.037 -0.500 0.000 0.767 93 A CB -0.083 18.340 19.000 -0.961 0.000 0.949 93 A HN 0.274 nan 8.150 nan 0.000 0.481 94 Y N -0.936 119.313 120.300 -0.084 0.000 2.500 94 Y HA 0.418 4.969 4.550 0.001 0.000 0.246 94 Y C 1.796 177.654 175.900 -0.071 0.000 1.146 94 Y CA -0.414 57.646 58.100 -0.067 0.000 1.230 94 Y CB 0.076 38.468 38.460 -0.114 0.000 1.214 94 Y HN 0.448 nan 8.280 nan 0.000 0.526 95 G N 0.682 109.492 108.800 0.017 0.000 2.245 95 G HA2 -0.271 3.689 3.960 0.001 0.000 0.264 95 G HA3 -0.271 3.689 3.960 0.001 0.000 0.264 95 G C 0.204 175.087 174.900 -0.028 0.000 0.985 95 G CA 0.676 45.770 45.100 -0.010 0.000 0.625 95 G HN 0.493 nan 8.290 nan 0.000 0.536 96 Q N -2.285 117.502 119.800 -0.021 0.000 2.626 96 Q HA 0.734 5.075 4.340 0.001 0.000 0.300 96 Q C 0.582 176.541 176.000 -0.067 0.000 0.988 96 Q CA -0.765 55.011 55.803 -0.045 0.000 0.761 96 Q CB 0.437 29.167 28.738 -0.013 0.000 1.494 96 Q HN 0.347 nan 8.270 nan 0.000 0.439 97 F N 0.881 120.669 119.950 -0.269 0.000 2.128 97 F HA 0.089 4.616 4.527 0.001 0.000 0.295 97 F C 0.706 176.400 175.800 -0.177 0.000 1.100 97 F CA 1.210 59.013 58.000 -0.327 0.000 1.260 97 F CB 0.388 39.144 39.000 -0.406 0.000 1.009 97 F HN 0.543 nan 8.300 nan 0.000 0.476 98 E N 2.739 122.839 120.200 -0.167 0.000 2.299 98 E HA 0.106 4.457 4.350 0.001 0.000 0.272 98 E C -2.239 174.161 176.600 -0.334 0.000 1.043 98 E CA -1.817 54.423 56.400 -0.268 0.000 0.895 98 E CB 0.466 30.108 29.700 -0.097 0.000 1.011 98 E HN 0.097 nan 8.360 nan 0.000 0.432 99 P HA 0.104 nan 4.420 nan 0.000 0.272 99 P C -2.344 174.660 177.300 -0.494 0.000 1.223 99 P CA -1.061 61.526 63.100 -0.856 0.000 0.784 99 P CB -0.109 30.829 31.700 -1.271 0.000 0.923 100 P HA 0.094 nan 4.420 nan 0.000 0.272 100 P C -0.560 176.747 177.300 0.012 0.000 1.230 100 P CA -0.226 62.776 63.100 -0.163 0.000 0.788 100 P CB 0.339 31.955 31.700 -0.140 0.000 0.949 101 A N 1.751 124.587 122.820 0.027 0.000 2.540 101 A HA -0.040 4.280 4.320 0.001 0.000 0.239 101 A C 1.463 179.075 177.584 0.047 0.000 1.061 101 A CA -0.322 51.760 52.037 0.075 0.000 0.758 101 A CB -0.595 18.439 19.000 0.056 0.000 0.991 101 A HN 0.659 nan 8.150 nan 0.000 0.502 102 L N 3.063 124.323 121.223 0.062 0.000 2.021 102 L HA -0.244 4.097 4.340 0.001 0.000 0.215 102 L C 2.050 178.797 176.870 -0.205 0.000 1.074 102 L CA 2.892 57.643 54.840 -0.149 0.000 0.760 102 L CB -1.217 40.839 42.059 -0.004 0.000 0.889 102 L HN 0.883 nan 8.230 nan 0.000 0.433 103 Y N 0.617 120.793 120.300 -0.207 0.000 2.097 103 Y HA -0.304 4.246 4.550 0.001 0.000 0.282 103 Y C 2.346 178.061 175.900 -0.307 0.000 1.152 103 Y CA 2.268 60.162 58.100 -0.342 0.000 1.136 103 Y CB -0.482 37.878 38.460 -0.166 0.000 0.975 103 Y HN 0.386 nan 8.280 nan 0.000 0.498 104 D N -1.168 119.141 120.400 -0.152 0.000 2.104 104 D HA -0.241 4.399 4.640 0.001 0.000 0.194 104 D C 2.002 178.148 176.300 -0.257 0.000 0.994 104 D CA 1.964 55.849 54.000 -0.191 0.000 0.830 104 D CB -0.796 39.983 40.800 -0.035 0.000 0.959 104 D HN 0.526 nan 8.370 nan 0.000 0.452 105 H N 1.192 120.067 119.070 -0.324 0.000 2.265 105 H HA -0.123 4.434 4.556 0.001 0.000 0.295 105 H C 2.071 177.191 175.328 -0.347 0.000 1.084 105 H CA 1.911 57.755 56.048 -0.340 0.000 1.261 105 H CB -0.440 29.001 29.762 -0.534 0.000 1.360 105 H HN -0.093 nan 8.280 nan 0.000 0.487 106 V N -0.261 119.344 119.914 -0.514 0.000 2.287 106 V HA -0.280 3.840 4.120 0.001 0.000 0.248 106 V C 2.761 178.575 176.094 -0.466 0.000 1.053 106 V CA 1.692 63.722 62.300 -0.450 0.000 1.027 106 V CB -0.857 30.568 31.823 -0.664 0.000 0.646 106 V HN 0.346 nan 8.190 nan 0.000 0.447 107 V N -0.084 119.456 119.914 -0.623 0.000 2.252 107 V HA -0.356 3.764 4.120 0.001 0.000 0.249 107 V C 2.475 178.361 176.094 -0.347 0.000 1.056 107 V CA 2.589 64.585 62.300 -0.506 0.000 1.022 107 V CB -0.717 30.745 31.823 -0.601 0.000 0.641 107 V HN 0.570 nan 8.190 nan 0.000 0.445 108 K N -0.713 119.482 120.400 -0.343 0.000 2.063 108 K HA -0.196 4.124 4.320 0.001 0.000 0.208 108 K C 2.168 178.560 176.600 -0.346 0.000 1.048 108 K CA 1.685 57.801 56.287 -0.285 0.000 0.928 108 K CB -0.126 32.236 32.500 -0.231 0.000 0.713 108 K HN 0.297 nan 8.250 nan 0.000 0.442 109 M N 0.437 119.743 119.600 -0.489 0.000 2.254 109 M HA -0.095 4.385 4.480 0.001 0.000 0.265 109 M C 2.187 178.263 176.300 -0.373 0.000 1.066 109 M CA 0.858 55.788 55.300 -0.616 0.000 1.123 109 M CB -0.363 31.483 32.600 -1.256 0.000 1.388 109 M HN 0.001 nan 8.290 nan 0.000 0.425 110 V N 0.217 119.990 119.914 -0.236 0.000 2.358 110 V HA -0.218 3.902 4.120 0.001 0.000 0.246 110 V C 2.263 178.280 176.094 -0.128 0.000 1.047 110 V CA 1.641 63.869 62.300 -0.120 0.000 1.035 110 V CB -0.686 31.082 31.823 -0.092 0.000 0.658 110 V HN 0.461 nan 8.190 nan 0.000 0.452 111 E N -0.316 119.788 120.200 -0.160 0.000 2.118 111 E HA -0.224 4.126 4.350 0.001 0.000 0.195 111 E C 2.082 178.596 176.600 -0.143 0.000 0.992 111 E CA 1.428 57.747 56.400 -0.135 0.000 0.804 111 E CB -0.110 29.504 29.700 -0.144 0.000 0.741 111 E HN 0.524 nan 8.360 nan 0.000 0.458 112 M N -1.167 118.312 119.600 -0.201 0.000 2.618 112 M HA 0.099 4.579 4.480 0.001 0.000 0.240 112 M C 1.106 177.296 176.300 -0.184 0.000 1.123 112 M CA 0.663 55.831 55.300 -0.221 0.000 1.060 112 M CB 0.783 33.172 32.600 -0.351 0.000 1.535 112 M HN 0.274 nan 8.290 nan 0.000 0.507 113 G N 0.891 109.606 108.800 -0.141 0.000 2.179 113 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 113 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 113 G C 0.985 175.844 174.900 -0.068 0.000 1.010 113 G CA 0.291 45.343 45.100 -0.080 0.000 0.736 113 G HN 0.320 nan 8.290 nan 0.000 0.513 114 K N -1.326 118.992 120.400 -0.136 0.000 2.308 114 K HA 0.216 4.537 4.320 0.001 0.000 0.197 114 K C 0.489 177.133 176.600 0.073 0.000 1.049 114 K CA 0.435 56.661 56.287 -0.101 0.000 0.991 114 K CB 0.196 32.529 32.500 -0.278 0.000 0.836 114 K HN 0.403 nan 8.250 nan 0.000 0.500 115 Y N 1.294 121.544 120.300 -0.083 0.000 2.453 115 Y HA 0.195 4.745 4.550 0.001 0.000 0.326 115 Y C 0.488 176.375 175.900 -0.021 0.000 1.186 115 Y CA -2.256 55.812 58.100 -0.053 0.000 1.200 115 Y CB 0.495 38.878 38.460 -0.128 0.000 1.247 115 Y HN -0.059 nan 8.280 nan 0.000 0.482 116 D N 1.485 121.995 120.400 0.183 0.000 2.390 116 D HA -0.069 4.571 4.640 0.001 0.000 0.249 116 D C 1.030 177.387 176.300 0.095 0.000 1.144 116 D CA 0.236 54.329 54.000 0.156 0.000 0.880 116 D CB 0.681 41.642 40.800 0.268 0.000 1.182 116 D HN 0.753 nan 8.370 nan 0.000 0.451 117 N N 2.996 121.758 118.700 0.103 0.000 2.137 117 N HA -0.313 4.427 4.740 0.001 0.000 0.190 117 N C 1.704 177.278 175.510 0.106 0.000 1.017 117 N CA 1.308 54.407 53.050 0.080 0.000 0.859 117 N CB -0.144 38.388 38.487 0.074 0.000 1.002 117 N HN 0.634 nan 8.380 nan 0.000 0.428 118 H N 0.314 119.453 119.070 0.115 0.000 2.492 118 H HA -0.063 4.493 4.556 0.001 0.000 0.296 118 H C 2.169 177.610 175.328 0.190 0.000 1.095 118 H CA 1.217 57.348 56.048 0.137 0.000 1.281 118 H CB -0.481 29.369 29.762 0.147 0.000 1.374 118 H HN 0.237 nan 8.280 nan 0.000 0.545 119 L N -0.087 120.927 121.223 -0.347 0.000 2.042 119 L HA -0.166 4.174 4.340 0.001 0.000 0.210 119 L C 2.557 179.603 176.870 0.293 0.000 1.076 119 L CA 1.281 56.065 54.840 -0.094 0.000 0.749 119 L CB -0.321 41.695 42.059 -0.071 0.000 0.893 119 L HN 0.373 nan 8.230 nan 0.000 0.432 120 L N -0.907 120.441 121.223 0.208 0.000 2.109 120 L HA -0.178 4.162 4.340 0.001 0.000 0.207 120 L C 2.496 179.518 176.870 0.252 0.000 1.086 120 L CA 1.113 56.120 54.840 0.278 0.000 0.760 120 L CB -0.419 41.705 42.059 0.108 0.000 0.910 120 L HN 0.290 nan 8.230 nan 0.000 0.437 121 E N 0.064 120.369 120.200 0.176 0.000 2.110 121 E HA -0.227 4.124 4.350 0.001 0.000 0.193 121 E C 1.417 178.085 176.600 0.113 0.000 0.988 121 E CA 1.381 57.865 56.400 0.140 0.000 0.804 121 E CB -0.012 29.770 29.700 0.136 0.000 0.745 121 E HN 0.457 nan 8.360 nan 0.000 0.458 122 D N -1.244 119.232 120.400 0.128 0.000 2.289 122 D HA 0.015 4.655 4.640 0.001 0.000 0.207 122 D C -0.433 175.682 176.300 -0.310 0.000 0.966 122 D CA 0.799 54.774 54.000 -0.042 0.000 0.868 122 D CB 0.271 41.091 40.800 0.034 0.000 0.943 122 D HN 0.098 nan 8.370 nan 0.000 0.514 123 Y N -0.570 119.709 120.300 -0.036 0.000 2.477 123 Y HA 0.301 4.851 4.550 0.001 0.000 0.347 123 Y C 0.600 176.459 175.900 -0.068 0.000 0.981 123 Y CA -1.326 56.636 58.100 -0.230 0.000 1.033 123 Y CB 1.612 39.594 38.460 -0.797 0.000 1.245 123 Y HN -0.313 nan 8.280 nan 0.000 0.455 124 T N -2.291 112.305 114.554 0.070 0.000 2.849 124 T HA 0.142 4.492 4.350 0.001 0.000 0.284 124 T C 1.105 175.942 174.700 0.229 0.000 1.004 124 T CA -0.388 61.792 62.100 0.134 0.000 1.021 124 T CB 1.382 70.278 68.868 0.047 0.000 1.013 124 T HN 0.897 nan 8.240 nan 0.000 0.527 125 E N 0.517 120.837 120.200 0.200 0.000 2.097 125 E HA -0.269 4.081 4.350 0.001 0.000 0.196 125 E C 1.742 178.333 176.600 -0.014 0.000 1.000 125 E CA 1.732 58.125 56.400 -0.011 0.000 0.804 125 E CB -0.131 29.290 29.700 -0.466 0.000 0.740 125 E HN 0.807 nan 8.360 nan 0.000 0.454 126 E N 0.605 120.785 120.200 -0.033 0.000 2.085 126 E HA -0.190 4.160 4.350 0.001 0.000 0.194 126 E C 1.931 178.512 176.600 -0.031 0.000 0.994 126 E CA 1.591 57.966 56.400 -0.042 0.000 0.801 126 E CB -0.025 29.651 29.700 -0.039 0.000 0.743 126 E HN 0.376 nan 8.360 nan 0.000 0.453 127 E N -0.670 119.513 120.200 -0.028 0.000 2.077 127 E HA -0.173 4.177 4.350 0.001 0.000 0.193 127 E C 1.789 178.303 176.600 -0.144 0.000 0.989 127 E CA 0.842 57.197 56.400 -0.075 0.000 0.800 127 E CB -0.190 29.490 29.700 -0.032 0.000 0.746 127 E HN 0.222 nan 8.360 nan 0.000 0.452 128 F N 1.648 121.597 119.950 -0.002 0.000 2.095 128 F HA -0.197 4.330 4.527 0.001 0.000 0.298 128 F C 2.281 178.029 175.800 -0.087 0.000 1.104 128 F CA 1.085 59.067 58.000 -0.031 0.000 1.232 128 F CB -0.287 38.797 39.000 0.140 0.000 0.987 128 F HN -0.148 nan 8.300 nan 0.000 0.475 129 K N 0.047 120.501 120.400 0.089 0.000 2.089 129 K HA -0.256 4.064 4.320 0.001 0.000 0.210 129 K C 2.090 178.613 176.600 -0.128 0.000 1.048 129 K CA 1.553 57.826 56.287 -0.023 0.000 0.926 129 K CB -0.607 31.860 32.500 -0.055 0.000 0.714 129 K HN 0.416 nan 8.250 nan 0.000 0.448 130 Q N -0.214 119.469 119.800 -0.194 0.000 2.269 130 Q HA 0.064 4.404 4.340 0.001 0.000 0.201 130 Q C 2.143 177.649 176.000 -0.824 0.000 0.946 130 Q CA 0.417 55.992 55.803 -0.379 0.000 0.877 130 Q CB 0.204 28.787 28.738 -0.258 0.000 0.963 130 Q HN 0.311 nan 8.270 nan 0.000 0.472 131 M N 0.198 119.441 119.600 -0.594 0.000 2.117 131 M HA -0.190 4.291 4.480 0.001 0.000 0.262 131 M C 1.484 177.479 176.300 -0.509 0.000 1.065 131 M CA 1.429 56.352 55.300 -0.629 0.000 1.114 131 M CB -0.207 32.265 32.600 -0.213 0.000 1.361 131 M HN 0.076 nan 8.290 nan 0.000 0.408 132 D N -0.017 120.222 120.400 -0.268 0.000 2.221 132 D HA -0.158 4.482 4.640 0.001 0.000 0.204 132 D C 1.902 178.095 176.300 -0.180 0.000 0.982 132 D CA 1.849 55.772 54.000 -0.128 0.000 0.857 132 D CB 0.055 40.844 40.800 -0.019 0.000 0.934 132 D HN 0.423 nan 8.370 nan 0.000 0.475 133 T N -2.655 111.713 114.554 -0.310 0.000 3.055 133 T HA -0.074 4.277 4.350 0.001 0.000 0.265 133 T C 1.655 176.308 174.700 -0.079 0.000 1.111 133 T CA 0.374 62.356 62.100 -0.197 0.000 1.118 133 T CB -0.457 68.299 68.868 -0.187 0.000 0.909 133 T HN -0.023 nan 8.240 nan 0.000 0.501 134 F N 1.663 121.535 119.950 -0.130 0.000 2.234 134 F HA 0.436 4.963 4.527 0.001 0.000 0.296 134 F C 1.304 176.969 175.800 -0.225 0.000 1.089 134 F CA -1.604 56.294 58.000 -0.170 0.000 1.343 134 F CB -0.861 37.981 39.000 -0.263 0.000 1.040 134 F HN 0.166 nan 8.300 nan 0.000 0.498 135 I N 1.669 122.139 120.570 -0.168 0.000 2.775 135 I HA -0.084 4.086 4.170 0.001 0.000 0.290 135 I C -0.113 175.939 176.117 -0.107 0.000 1.203 135 I CA 0.487 61.635 61.300 -0.253 0.000 1.433 135 I CB 0.083 37.878 38.000 -0.342 0.000 1.354 135 I HN -0.038 nan 8.210 nan 0.000 0.579 136 D N 5.442 125.852 120.400 0.017 0.000 2.469 136 D HA 0.195 4.836 4.640 0.001 0.000 0.251 136 D C 0.718 177.011 176.300 -0.011 0.000 1.173 136 D CA -0.366 53.637 54.000 0.004 0.000 0.882 136 D CB 0.700 41.543 40.800 0.072 0.000 1.129 136 D HN 0.374 nan 8.370 nan 0.000 0.549 137 H N 2.088 121.197 119.070 0.066 0.000 2.495 137 H HA -0.022 4.534 4.556 0.001 0.000 0.287 137 H C 0.530 175.912 175.328 0.090 0.000 1.033 137 H CA 0.616 56.680 56.048 0.027 0.000 1.307 137 H CB 0.495 30.201 29.762 -0.093 0.000 1.401 137 H HN 0.502 nan 8.280 nan 0.000 0.555 138 D N 0.701 121.231 120.400 0.216 0.000 2.351 138 D HA -0.095 4.545 4.640 0.001 0.000 0.216 138 D C 1.890 178.277 176.300 0.145 0.000 0.968 138 D CA 0.417 54.543 54.000 0.210 0.000 0.899 138 D CB -0.013 40.887 40.800 0.168 0.000 0.907 138 D HN 0.393 nan 8.370 nan 0.000 0.514 139 R N 0.462 121.020 120.500 0.097 0.000 2.280 139 R HA -0.051 4.289 4.340 0.001 0.000 0.207 139 R C 0.848 177.144 176.300 -0.006 0.000 1.043 139 R CA 0.484 56.575 56.100 -0.015 0.000 1.006 139 R CB 0.026 30.262 30.300 -0.107 0.000 0.885 139 R HN 0.127 nan 8.270 nan 0.000 0.467 140 D N 0.650 121.184 120.400 0.223 0.000 2.310 140 D HA -0.095 4.545 4.640 0.001 0.000 0.212 140 D C 1.298 177.855 176.300 0.429 0.000 0.965 140 D CA 0.900 55.182 54.000 0.470 0.000 0.879 140 D CB 0.070 41.154 40.800 0.474 0.000 0.921 140 D HN 0.010 nan 8.370 nan 0.000 0.510 141 M N -0.134 119.626 119.600 0.266 0.000 2.686 141 M HA -0.016 4.465 4.480 0.001 0.000 0.246 141 M C 1.475 177.869 176.300 0.157 0.000 1.096 141 M CA 0.790 56.211 55.300 0.202 0.000 1.076 141 M CB -0.470 32.197 32.600 0.112 0.000 1.504 141 M HN 0.007 nan 8.290 nan 0.000 0.524 142 T N -3.714 110.904 114.554 0.106 0.000 3.054 142 T HA 0.250 4.600 4.350 0.001 0.000 0.255 142 T C 0.347 175.223 174.700 0.294 0.000 1.035 142 T CA -0.405 61.761 62.100 0.109 0.000 0.941 142 T CB -0.317 68.569 68.868 0.030 0.000 1.026 142 T HN -0.035 nan 8.240 nan 0.000 0.533 143 F N 3.820 124.039 119.950 0.448 0.000 2.459 143 F HA 0.466 4.994 4.527 0.001 0.000 0.346 143 F C 1.354 177.300 175.800 0.243 0.000 1.128 143 F CA -0.875 57.332 58.000 0.344 0.000 1.268 143 F CB 0.646 39.807 39.000 0.270 0.000 1.161 143 F HN 0.158 nan 8.300 nan 0.000 0.583 144 S N 2.326 118.141 115.700 0.191 0.000 2.632 144 S HA 0.129 4.599 4.470 0.001 0.000 0.271 144 S C 0.820 175.419 174.600 -0.001 0.000 1.260 144 S CA -0.642 57.415 58.200 -0.237 0.000 1.010 144 S CB 0.498 63.520 63.200 -0.298 0.000 0.965 144 S HN 0.657 nan 8.310 nan 0.000 0.534 145 Y N 2.325 122.539 120.300 -0.144 0.000 2.114 145 Y HA -0.178 4.373 4.550 0.001 0.000 0.282 145 Y C 2.499 178.375 175.900 -0.040 0.000 1.165 145 Y CA 2.148 60.219 58.100 -0.048 0.000 1.148 145 Y CB -1.139 37.294 38.460 -0.045 0.000 0.972 145 Y HN 0.863 nan 8.280 nan 0.000 0.504 146 A N 0.464 123.201 122.820 -0.139 0.000 1.908 146 A HA -0.164 4.156 4.320 0.001 0.000 0.218 146 A C 2.491 179.960 177.584 -0.192 0.000 1.181 146 A CA 2.226 54.145 52.037 -0.198 0.000 0.627 146 A CB -1.593 17.361 19.000 -0.078 0.000 0.818 146 A HN 0.646 nan 8.150 nan 0.000 0.445 147 A N -0.477 122.281 122.820 -0.104 0.000 1.865 147 A HA -0.080 4.240 4.320 0.001 0.000 0.217 147 A C 2.237 179.704 177.584 -0.195 0.000 1.191 147 A CA 2.070 54.067 52.037 -0.067 0.000 0.623 147 A CB -1.183 17.885 19.000 0.113 0.000 0.826 147 A HN 0.505 nan 8.150 nan 0.000 0.444 148 V N -0.068 119.722 119.914 -0.206 0.000 2.332 148 V HA -0.271 3.850 4.120 0.001 0.000 0.248 148 V C 2.548 178.480 176.094 -0.270 0.000 1.055 148 V CA 2.500 64.647 62.300 -0.257 0.000 1.038 148 V CB -0.706 31.058 31.823 -0.098 0.000 0.651 148 V HN 0.511 nan 8.190 nan 0.000 0.450 149 K N -0.200 119.988 120.400 -0.354 0.000 2.057 149 K HA -0.146 4.175 4.320 0.001 0.000 0.207 149 K C 2.316 178.751 176.600 -0.275 0.000 1.049 149 K CA 1.277 57.352 56.287 -0.353 0.000 0.931 149 K CB -0.310 31.891 32.500 -0.498 0.000 0.714 149 K HN 0.418 nan 8.250 nan 0.000 0.440 150 Q N 0.081 119.711 119.800 -0.283 0.000 2.079 150 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 150 Q C 2.222 177.942 176.000 -0.467 0.000 0.974 150 Q CA 1.223 56.816 55.803 -0.351 0.000 0.840 150 Q CB -0.263 28.281 28.738 -0.323 0.000 0.898 150 Q HN 0.335 nan 8.270 nan 0.000 0.430 151 L N 0.808 121.821 121.223 -0.349 0.000 2.043 151 L HA -0.230 4.110 4.340 0.001 0.000 0.212 151 L C 2.586 179.350 176.870 -0.177 0.000 1.075 151 L CA 1.660 56.357 54.840 -0.238 0.000 0.752 151 L CB -0.475 41.443 42.059 -0.235 0.000 0.891 151 L HN 0.334 nan 8.230 nan 0.000 0.432 152 E N 0.082 120.173 120.200 -0.182 0.000 2.072 152 E HA -0.149 4.202 4.350 0.001 0.000 0.190 152 E C 2.172 178.703 176.600 -0.116 0.000 0.982 152 E CA 1.096 57.420 56.400 -0.126 0.000 0.803 152 E CB -0.103 29.531 29.700 -0.109 0.000 0.755 152 E HN 0.422 nan 8.360 nan 0.000 0.453 153 G N 0.664 109.372 108.800 -0.153 0.000 2.396 153 G HA2 -0.143 3.818 3.960 0.001 0.000 0.214 153 G HA3 -0.143 3.818 3.960 0.001 0.000 0.214 153 G C 1.615 176.444 174.900 -0.118 0.000 1.166 153 G CA 0.448 45.473 45.100 -0.126 0.000 0.793 153 G HN 0.079 nan 8.290 nan 0.000 0.533 154 K N -1.245 119.028 120.400 -0.213 0.000 2.367 154 K HA 0.202 4.522 4.320 0.001 0.000 0.198 154 K C 1.743 178.405 176.600 0.103 0.000 1.132 154 K CA 0.208 56.400 56.287 -0.160 0.000 0.941 154 K CB 0.337 32.592 32.500 -0.408 0.000 1.052 154 K HN 0.314 nan 8.250 nan 0.000 0.507 155 Y N 1.056 121.362 120.300 0.009 0.000 2.539 155 Y HA 0.275 4.826 4.550 0.001 0.000 0.284 155 Y C 1.105 177.032 175.900 0.044 0.000 1.134 155 Y CA -0.747 57.372 58.100 0.031 0.000 1.251 155 Y CB -0.335 38.134 38.460 0.015 0.000 1.260 155 Y HN -0.204 nan 8.280 nan 0.000 0.528 156 L N 1.257 122.579 121.223 0.166 0.000 2.455 156 L HA 0.116 4.457 4.340 0.001 0.000 0.272 156 L C 0.054 177.007 176.870 0.138 0.000 1.174 156 L CA -0.397 54.520 54.840 0.129 0.000 0.869 156 L CB 0.442 42.527 42.059 0.043 0.000 1.130 156 L HN -0.232 nan 8.230 nan 0.000 0.474 157 V N 4.492 124.531 119.914 0.209 0.000 2.557 157 V HA -0.002 4.118 4.120 0.001 0.000 0.301 157 V C 0.393 176.598 176.094 0.185 0.000 1.026 157 V CA 0.388 62.829 62.300 0.234 0.000 1.137 157 V CB 0.380 32.394 31.823 0.319 0.000 0.917 157 V HN 0.974 nan 8.190 nan 0.000 0.484 158 Q N 3.902 123.784 119.800 0.136 0.000 2.737 158 Q HA 0.430 4.770 4.340 0.001 0.000 0.307 158 Q C -1.132 174.865 176.000 -0.005 0.000 0.905 158 Q CA -1.053 54.687 55.803 -0.104 0.000 0.753 158 Q CB 1.502 30.165 28.738 -0.126 0.000 1.463 158 Q HN 0.466 nan 8.270 nan 0.000 0.455 159 N N 0.205 118.822 118.700 -0.139 0.000 2.426 159 N HA 0.202 4.942 4.740 0.001 0.000 0.275 159 N C 0.335 175.839 175.510 -0.009 0.000 1.019 159 N CA -0.147 52.903 53.050 -0.001 0.000 0.941 159 N CB 1.144 39.618 38.487 -0.022 0.000 1.123 159 N HN 0.538 nan 8.380 nan 0.000 0.486 160 R N 2.423 122.937 120.500 0.024 0.000 2.081 160 R HA -0.042 4.298 4.340 0.001 0.000 0.235 160 R C 1.480 177.783 176.300 0.006 0.000 1.131 160 R CA 1.115 57.223 56.100 0.014 0.000 0.960 160 R CB -0.587 29.727 30.300 0.023 0.000 0.856 160 R HN 0.446 nan 8.270 nan 0.000 0.436 161 V N 0.039 119.960 119.914 0.012 0.000 2.446 161 V HA -0.097 4.023 4.120 0.001 0.000 0.244 161 V C 2.229 178.323 176.094 0.001 0.000 1.039 161 V CA 2.037 64.342 62.300 0.009 0.000 1.045 161 V CB -0.550 31.282 31.823 0.016 0.000 0.681 161 V HN 0.457 nan 8.190 nan 0.000 0.459 162 T N -2.830 111.722 114.554 -0.004 0.000 3.022 162 T HA 0.302 4.652 4.350 0.001 0.000 0.250 162 T C 1.611 176.284 174.700 -0.045 0.000 1.060 162 T CA 0.899 62.990 62.100 -0.015 0.000 1.013 162 T CB 0.639 69.506 68.868 -0.002 0.000 0.982 162 T HN 0.950 nan 8.240 nan 0.000 0.508 163 G N 1.307 110.069 108.800 -0.063 0.000 2.166 163 G HA2 -0.284 3.676 3.960 0.001 0.000 0.260 163 G HA3 -0.284 3.676 3.960 0.001 0.000 0.260 163 G C -0.186 174.622 174.900 -0.153 0.000 0.986 163 G CA 0.384 45.433 45.100 -0.085 0.000 0.683 163 G HN 0.768 nan 8.290 nan 0.000 0.527 164 E N -0.139 119.924 120.200 -0.229 0.000 2.259 164 E HA 0.487 4.837 4.350 0.001 0.000 0.281 164 E C 0.287 176.488 176.600 -0.665 0.000 1.037 164 E CA -0.630 55.547 56.400 -0.372 0.000 0.854 164 E CB 0.323 29.826 29.700 -0.328 0.000 1.051 164 E HN 0.365 nan 8.360 nan 0.000 0.409 165 I N 4.788 125.050 120.570 -0.514 0.000 2.353 165 I HA 0.058 4.228 4.170 0.001 0.000 0.293 165 I C -0.241 175.627 176.117 -0.415 0.000 0.992 165 I CA -0.329 60.699 61.300 -0.454 0.000 1.268 165 I CB 0.767 38.609 38.000 -0.263 0.000 1.387 165 I HN 0.668 nan 8.210 nan 0.000 0.478 166 Y N 3.580 123.851 120.300 -0.049 0.000 2.444 166 Y HA 0.214 4.765 4.550 0.001 0.000 0.249 166 Y C 0.554 176.541 175.900 0.144 0.000 1.134 166 Y CA -0.515 57.584 58.100 -0.002 0.000 1.261 166 Y CB 0.118 38.562 38.460 -0.026 0.000 1.143 166 Y HN 0.559 nan 8.280 nan 0.000 0.523 167 E N -1.186 119.141 120.200 0.212 0.000 2.445 167 E HA 0.621 4.971 4.350 0.001 0.000 0.279 167 E C -1.034 175.642 176.600 0.126 0.000 1.018 167 E CA -1.026 55.596 56.400 0.369 0.000 0.816 167 E CB 1.700 31.758 29.700 0.597 0.000 1.356 167 E HN -0.078 nan 8.360 nan 0.000 0.462 168 S N -0.225 115.601 115.700 0.209 0.000 2.726 168 S HA 0.701 5.171 4.470 0.001 0.000 0.308 168 S C 0.987 175.642 174.600 0.092 0.000 1.115 168 S CA -0.346 57.885 58.200 0.051 0.000 0.965 168 S CB 1.368 64.559 63.200 -0.015 0.000 1.145 168 S HN 0.836 nan 8.310 nan 0.000 0.532 169 A N 0.582 123.436 122.820 0.056 0.000 1.908 169 A HA -0.107 4.214 4.320 0.001 0.000 0.218 169 A C 2.141 179.761 177.584 0.060 0.000 1.181 169 A CA 1.403 53.444 52.037 0.006 0.000 0.627 169 A CB -0.943 18.120 19.000 0.105 0.000 0.818 169 A HN 0.741 nan 8.150 nan 0.000 0.445 170 Q N -1.197 118.736 119.800 0.222 0.000 2.230 170 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 170 Q C 1.773 178.021 176.000 0.415 0.000 0.963 170 Q CA 0.874 56.895 55.803 0.364 0.000 0.866 170 Q CB -0.529 28.350 28.738 0.235 0.000 0.931 170 Q HN 0.687 nan 8.270 nan 0.000 0.452 171 F N 0.899 121.010 119.950 0.269 0.000 2.146 171 F HA -0.116 4.412 4.527 0.001 0.000 0.298 171 F C 2.278 178.210 175.800 0.220 0.000 1.096 171 F CA 0.190 58.336 58.000 0.244 0.000 1.275 171 F CB -1.201 37.962 39.000 0.272 0.000 1.008 171 F HN 0.061 nan 8.300 nan 0.000 0.480 172 L N -1.030 120.407 121.223 0.357 0.000 1.971 172 L HA -0.319 4.022 4.340 0.001 0.000 0.215 172 L C 2.537 179.548 176.870 0.236 0.000 1.072 172 L CA 1.733 56.690 54.840 0.195 0.000 0.758 172 L CB -0.691 41.376 42.059 0.014 0.000 0.889 172 L HN 0.011 nan 8.230 nan 0.000 0.433 173 Y N -0.344 120.146 120.300 0.316 0.000 2.070 173 Y HA -0.310 4.240 4.550 0.001 0.000 0.280 173 Y C 2.407 178.554 175.900 0.411 0.000 1.148 173 Y CA 1.708 60.003 58.100 0.326 0.000 1.125 173 Y CB -0.909 37.716 38.460 0.275 0.000 0.975 173 Y HN 0.220 nan 8.280 nan 0.000 0.492 174 I N -0.191 120.745 120.570 0.609 0.000 2.194 174 I HA -0.297 3.874 4.170 0.001 0.000 0.246 174 I C 2.007 178.254 176.117 0.217 0.000 1.093 174 I CA 1.605 63.112 61.300 0.344 0.000 1.355 174 I CB -0.458 37.600 38.000 0.097 0.000 1.046 174 I HN 0.147 nan 8.210 nan 0.000 0.413 175 L N -1.487 119.838 121.223 0.170 0.000 2.313 175 L HA -0.078 4.263 4.340 0.001 0.000 0.214 175 L C 2.359 179.253 176.870 0.040 0.000 1.119 175 L CA 0.182 55.036 54.840 0.024 0.000 0.809 175 L CB -0.487 41.498 42.059 -0.125 0.000 0.933 175 L HN 0.049 nan 8.230 nan 0.000 0.449 176 V N 0.307 120.304 119.914 0.139 0.000 2.295 176 V HA -0.289 3.832 4.120 0.001 0.000 0.246 176 V C 2.781 178.940 176.094 0.108 0.000 1.049 176 V CA 1.895 64.268 62.300 0.122 0.000 1.024 176 V CB -0.728 31.230 31.823 0.226 0.000 0.648 176 V HN 0.478 nan 8.190 nan 0.000 0.447 177 A N 0.061 123.043 122.820 0.269 0.000 1.858 177 A HA -0.165 4.156 4.320 0.001 0.000 0.216 177 A C 2.453 180.149 177.584 0.187 0.000 1.190 177 A CA 2.265 54.481 52.037 0.298 0.000 0.617 177 A CB -0.978 18.306 19.000 0.473 0.000 0.827 177 A HN 0.585 nan 8.150 nan 0.000 0.443 178 A N -1.064 121.809 122.820 0.089 0.000 1.908 178 A HA -0.217 4.103 4.320 0.001 0.000 0.218 178 A C 2.336 179.990 177.584 0.116 0.000 1.181 178 A CA 1.878 53.909 52.037 -0.010 0.000 0.627 178 A CB -1.308 17.494 19.000 -0.329 0.000 0.818 178 A HN 0.620 nan 8.150 nan 0.000 0.445 179 C N -0.924 118.384 119.300 0.014 0.000 2.453 179 C HA 0.007 4.467 4.460 0.001 0.000 0.277 179 C C 2.641 177.484 174.990 -0.246 0.000 1.262 179 C CA 0.946 59.939 59.018 -0.042 0.000 1.718 179 C CB -1.404 26.267 27.740 -0.115 0.000 2.031 179 C HN 0.629 nan 8.230 nan 0.000 0.480 180 L N -0.846 120.167 121.223 -0.351 0.000 2.141 180 L HA -0.072 4.268 4.340 0.001 0.000 0.209 180 L C 1.514 177.987 176.870 -0.662 0.000 1.094 180 L CA 1.593 56.063 54.840 -0.616 0.000 0.763 180 L CB -0.494 41.088 42.059 -0.795 0.000 0.908 180 L HN 0.300 nan 8.230 nan 0.000 0.437 181 F N -0.806 118.984 119.950 -0.267 0.000 2.639 181 F HA 0.059 4.586 4.527 0.001 0.000 0.300 181 F C 2.329 178.129 175.800 0.000 0.000 1.109 181 F CA 0.164 58.008 58.000 -0.261 0.000 1.335 181 F CB -0.197 38.580 39.000 -0.372 0.000 1.014 181 F HN 0.022 nan 8.300 nan 0.000 0.537 182 S N -0.118 115.680 115.700 0.163 0.000 2.399 182 S HA -0.224 4.246 4.470 0.001 0.000 0.231 182 S C 1.438 176.068 174.600 0.049 0.000 1.022 182 S CA 1.511 59.803 58.200 0.153 0.000 0.983 182 S CB -0.598 62.743 63.200 0.235 0.000 0.803 182 S HN 0.552 nan 8.310 nan 0.000 0.480 183 N N -0.298 118.462 118.700 0.099 0.000 2.398 183 N HA 0.140 4.880 4.740 0.001 0.000 0.188 183 N C -0.794 174.785 175.510 0.115 0.000 1.122 183 N CA -0.138 52.955 53.050 0.072 0.000 0.866 183 N CB 0.075 38.576 38.487 0.024 0.000 0.970 183 N HN 0.361 nan 8.380 nan 0.000 0.462 184 Y N 2.055 122.354 120.300 -0.003 0.000 2.326 184 Y HA 0.147 4.698 4.550 0.001 0.000 0.333 184 Y C -1.617 174.295 175.900 0.020 0.000 1.240 184 Y CA -2.297 55.819 58.100 0.028 0.000 1.365 184 Y CB 0.109 38.637 38.460 0.112 0.000 1.289 184 Y HN 0.063 nan 8.280 nan 0.000 0.548 185 P HA 0.076 nan 4.420 nan 0.000 0.270 185 P C 0.100 177.450 177.300 0.085 0.000 1.223 185 P CA -0.113 63.016 63.100 0.048 0.000 0.785 185 P CB 0.770 32.479 31.700 0.015 0.000 0.923 186 R N 0.838 121.362 120.500 0.039 0.000 2.285 186 R HA -0.081 4.259 4.340 0.001 0.000 0.213 186 R C 1.634 177.963 176.300 0.048 0.000 1.068 186 R CA 0.898 57.020 56.100 0.037 0.000 1.004 186 R CB 0.030 30.334 30.300 0.007 0.000 0.873 186 R HN 0.599 nan 8.270 nan 0.000 0.467 187 E N -0.330 119.901 120.200 0.052 0.000 2.442 187 E HA -0.056 4.294 4.350 0.001 0.000 0.195 187 E C 1.218 177.848 176.600 0.050 0.000 1.030 187 E CA 1.170 57.594 56.400 0.039 0.000 0.869 187 E CB 0.231 29.945 29.700 0.024 0.000 0.857 187 E HN 0.314 nan 8.360 nan 0.000 0.505 188 T N -2.441 112.182 114.554 0.114 0.000 2.966 188 T HA 0.194 4.544 4.350 0.001 0.000 0.254 188 T C 1.854 176.679 174.700 0.208 0.000 0.961 188 T CA 0.075 62.260 62.100 0.141 0.000 0.915 188 T CB 0.293 69.351 68.868 0.317 0.000 1.186 188 T HN 0.027 nan 8.240 nan 0.000 0.505 189 R N 1.407 122.055 120.500 0.247 0.000 2.154 189 R HA -0.026 4.315 4.340 0.001 0.000 0.236 189 R C 2.102 178.493 176.300 0.151 0.000 1.121 189 R CA 2.109 58.354 56.100 0.241 0.000 0.915 189 R CB -0.847 29.570 30.300 0.196 0.000 0.856 189 R HN 0.414 nan 8.270 nan 0.000 0.431 190 L N 0.325 121.631 121.223 0.139 0.000 2.362 190 L HA -0.116 4.224 4.340 0.001 0.000 0.219 190 L C 2.711 179.579 176.870 -0.005 0.000 1.134 190 L CA 1.055 55.988 54.840 0.156 0.000 0.807 190 L CB -0.421 41.785 42.059 0.244 0.000 0.927 190 L HN 0.519 nan 8.230 nan 0.000 0.447 191 Q N -0.546 119.198 119.800 -0.093 0.000 2.123 191 Q HA -0.199 4.141 4.340 0.001 0.000 0.199 191 Q C 2.145 177.910 176.000 -0.391 0.000 0.966 191 Q CA 1.526 57.171 55.803 -0.263 0.000 0.845 191 Q CB -0.028 28.548 28.738 -0.270 0.000 0.907 191 Q HN 0.378 nan 8.270 nan 0.000 0.439 192 Y N -0.349 119.741 120.300 -0.349 0.000 2.163 192 Y HA -0.194 4.356 4.550 0.001 0.000 0.288 192 Y C 2.327 177.792 175.900 -0.725 0.000 1.136 192 Y CA 1.111 58.805 58.100 -0.677 0.000 1.147 192 Y CB -0.492 37.340 38.460 -1.046 0.000 0.987 192 Y HN -0.055 nan 8.280 nan 0.000 0.509 193 V N 0.612 120.335 119.914 -0.319 0.000 2.278 193 V HA -0.383 3.738 4.120 0.001 0.000 0.251 193 V C 2.437 178.477 176.094 -0.089 0.000 1.062 193 V CA 2.393 64.626 62.300 -0.110 0.000 1.038 193 V CB -0.597 31.265 31.823 0.065 0.000 0.646 193 V HN 0.362 nan 8.190 nan 0.000 0.447 194 K N -0.233 119.958 120.400 -0.349 0.000 2.057 194 K HA -0.164 4.156 4.320 0.001 0.000 0.206 194 K C 2.403 178.840 176.600 -0.272 0.000 1.050 194 K CA 1.393 57.308 56.287 -0.621 0.000 0.935 194 K CB -0.110 31.507 32.500 -1.472 0.000 0.715 194 K HN 0.366 nan 8.250 nan 0.000 0.439 195 R N -0.566 119.773 120.500 -0.268 0.000 2.092 195 R HA -0.104 4.236 4.340 0.001 0.000 0.231 195 R C 2.296 178.538 176.300 -0.098 0.000 1.119 195 R CA 1.304 57.289 56.100 -0.191 0.000 0.970 195 R CB -0.343 29.827 30.300 -0.218 0.000 0.864 195 R HN 0.233 nan 8.270 nan 0.000 0.440 196 F N 0.612 120.451 119.950 -0.184 0.000 2.146 196 F HA -0.227 4.300 4.527 0.001 0.000 0.298 196 F C 2.244 178.013 175.800 -0.051 0.000 1.096 196 F CA 1.141 59.090 58.000 -0.085 0.000 1.275 196 F CB -0.396 38.590 39.000 -0.023 0.000 1.008 196 F HN -0.026 nan 8.300 nan 0.000 0.480 197 Y N 1.299 121.583 120.300 -0.026 0.000 2.128 197 Y HA -0.270 4.280 4.550 0.001 0.000 0.284 197 Y C 2.184 177.932 175.900 -0.253 0.000 1.154 197 Y CA 2.217 60.267 58.100 -0.084 0.000 1.149 197 Y CB -0.864 37.611 38.460 0.025 0.000 0.976 197 Y HN 0.045 nan 8.280 nan 0.000 0.505 198 D N 0.444 120.638 120.400 -0.343 0.000 2.123 198 D HA -0.204 4.437 4.640 0.001 0.000 0.196 198 D C 2.330 178.332 176.300 -0.497 0.000 0.992 198 D CA 1.582 55.319 54.000 -0.438 0.000 0.833 198 D CB -0.680 39.987 40.800 -0.222 0.000 0.954 198 D HN 0.525 nan 8.370 nan 0.000 0.455 199 A N 0.767 123.321 122.820 -0.444 0.000 1.883 199 A HA -0.166 4.155 4.320 0.001 0.000 0.217 199 A C 2.509 179.775 177.584 -0.530 0.000 1.186 199 A CA 2.430 54.212 52.037 -0.426 0.000 0.624 199 A CB -0.822 17.948 19.000 -0.383 0.000 0.822 199 A HN 0.242 nan 8.150 nan 0.000 0.444 200 V N -1.598 117.868 119.914 -0.747 0.000 2.488 200 V HA -0.103 4.018 4.120 0.001 0.000 0.246 200 V C 2.318 177.774 176.094 -1.063 0.000 1.046 200 V CA 2.126 63.956 62.300 -0.783 0.000 1.053 200 V CB -1.183 30.170 31.823 -0.784 0.000 0.679 200 V HN 0.637 nan 8.190 nan 0.000 0.458 201 S N 1.529 116.480 115.700 -1.249 0.000 2.489 201 S HA -0.084 4.386 4.470 0.001 0.000 0.228 201 S C 1.704 175.602 174.600 -1.171 0.000 0.995 201 S CA 1.043 58.473 58.200 -1.283 0.000 0.934 201 S CB -0.780 61.779 63.200 -1.069 0.000 0.771 201 S HN 0.868 nan 8.310 nan 0.000 0.522 202 T N -2.190 111.811 114.554 -0.921 0.000 3.134 202 T HA 0.372 4.723 4.350 0.001 0.000 0.260 202 T C 0.162 174.545 174.700 -0.528 0.000 1.027 202 T CA -0.585 61.065 62.100 -0.750 0.000 0.913 202 T CB -0.950 67.670 68.868 -0.413 0.000 1.046 202 T HN 0.250 nan 8.240 nan 0.000 0.553 203 F N 0.188 119.999 119.950 -0.232 0.000 3.018 203 F HA -0.183 4.344 4.527 0.001 0.000 0.287 203 F C 1.127 176.882 175.800 -0.075 0.000 0.813 203 F CA 0.132 58.060 58.000 -0.120 0.000 1.209 203 F CB -2.549 36.431 39.000 -0.035 0.000 1.321 203 F HN 0.276 nan 8.300 nan 0.000 0.477 204 K N 0.039 120.429 120.400 -0.017 0.000 2.166 204 K HA 0.289 4.609 4.320 0.001 0.000 0.201 204 K C 0.757 177.394 176.600 0.062 0.000 1.052 204 K CA 0.983 57.279 56.287 0.014 0.000 0.969 204 K CB 0.449 32.912 32.500 -0.062 0.000 0.761 204 K HN 0.303 nan 8.250 nan 0.000 0.459 205 I N 0.706 121.257 120.570 -0.032 0.000 2.378 205 I HA 0.106 4.276 4.170 0.001 0.000 0.291 205 I C -0.582 175.519 176.117 -0.025 0.000 0.992 205 I CA -0.631 60.657 61.300 -0.020 0.000 1.154 205 I CB 1.945 39.875 38.000 -0.118 0.000 1.315 205 I HN -0.075 nan 8.210 nan 0.000 0.448 206 S N 7.483 123.200 115.700 0.028 0.000 2.451 206 S HA 0.675 5.145 4.470 0.001 0.000 0.301 206 S C -0.703 173.929 174.600 0.054 0.000 1.116 206 S CA -0.589 57.655 58.200 0.074 0.000 1.093 206 S CB 0.581 63.844 63.200 0.105 0.000 1.017 206 S HN 0.430 nan 8.310 nan 0.000 0.482 207 L N 6.389 127.663 121.223 0.086 0.000 2.317 207 L HA 0.577 4.917 4.340 0.001 0.000 0.281 207 L C -1.964 174.931 176.870 0.042 0.000 1.024 207 L CA -2.324 52.556 54.840 0.067 0.000 0.810 207 L CB 1.801 43.920 42.059 0.101 0.000 1.240 207 L HN 0.522 nan 8.230 nan 0.000 0.427 208 P HA 0.090 nan 4.420 nan 0.000 0.272 208 P C 0.488 177.782 177.300 -0.011 0.000 1.230 208 P CA -0.318 62.804 63.100 0.038 0.000 0.788 208 P CB 0.800 32.528 31.700 0.047 0.000 0.949 209 T N 2.044 116.624 114.554 0.045 0.000 2.649 209 T HA -0.126 4.224 4.350 0.001 0.000 0.268 209 T C -0.881 173.839 174.700 0.033 0.000 1.036 209 T CA 2.615 64.747 62.100 0.053 0.000 1.157 209 T CB -1.822 67.206 68.868 0.267 0.000 0.861 209 T HN 0.532 nan 8.240 nan 0.000 0.445 210 P HA 0.053 nan 4.420 nan 0.000 0.217 210 P C 1.470 178.933 177.300 0.272 0.000 1.150 210 P CA 0.869 64.094 63.100 0.208 0.000 0.832 210 P CB -0.139 31.705 31.700 0.239 0.000 0.787 211 I N -1.750 118.885 120.570 0.108 0.000 2.193 211 I HA -0.207 3.964 4.170 0.001 0.000 0.240 211 I C 2.381 178.489 176.117 -0.014 0.000 1.084 211 I CA 1.261 62.547 61.300 -0.023 0.000 1.365 211 I CB -0.627 37.323 38.000 -0.083 0.000 1.064 211 I HN -0.110 nan 8.210 nan 0.000 0.410 212 M N 0.627 120.157 119.600 -0.116 0.000 2.146 212 M HA -0.243 4.237 4.480 0.001 0.000 0.256 212 M C 2.393 178.593 176.300 -0.166 0.000 1.075 212 M CA 2.386 57.516 55.300 -0.283 0.000 1.082 212 M CB -1.176 30.866 32.600 -0.930 0.000 1.355 212 M HN 0.445 nan 8.290 nan 0.000 0.402 213 S N -2.300 113.383 115.700 -0.029 0.000 2.505 213 S HA 0.194 4.665 4.470 0.001 0.000 0.216 213 S C 1.788 176.515 174.600 0.211 0.000 1.018 213 S CA 0.349 58.633 58.200 0.141 0.000 0.911 213 S CB 0.029 63.362 63.200 0.221 0.000 0.818 213 S HN 0.438 nan 8.310 nan 0.000 0.497 214 G N 1.297 110.275 108.800 0.298 0.000 2.641 214 G HA2 0.276 4.236 3.960 0.001 0.000 0.207 214 G HA3 0.276 4.236 3.960 0.001 0.000 0.207 214 G C 0.201 175.403 174.900 0.503 0.000 1.137 214 G CA 0.101 45.493 45.100 0.487 0.000 0.824 214 G HN 0.371 nan 8.290 nan 0.000 0.547 215 V N 2.725 122.821 119.914 0.304 0.000 2.415 215 V HA 0.368 4.489 4.120 0.001 0.000 0.267 215 V C 1.070 177.241 176.094 0.129 0.000 1.042 215 V CA 1.046 63.436 62.300 0.150 0.000 1.000 215 V CB 0.174 31.903 31.823 -0.156 0.000 1.015 215 V HN 0.776 nan 8.190 nan 0.000 0.478 216 R N 2.688 123.289 120.500 0.170 0.000 1.824 216 R HA -0.102 4.238 4.340 0.001 0.000 0.369 216 R C 0.190 176.546 176.300 0.093 0.000 0.207 216 R CA 0.688 56.791 56.100 0.005 0.000 1.427 216 R CB -1.438 28.753 30.300 -0.183 0.000 1.829 216 R HN 0.702 nan 8.270 nan 0.000 0.191 217 T N -1.807 112.886 114.554 0.231 0.000 2.936 217 T HA 0.610 4.961 4.350 0.001 0.000 0.282 217 T C -1.998 172.831 174.700 0.215 0.000 1.003 217 T CA -1.549 60.696 62.100 0.241 0.000 1.005 217 T CB 2.350 71.355 68.868 0.228 0.000 1.097 217 T HN -0.169 nan 8.240 nan 0.000 0.532 218 P HA 0.001 nan 4.420 nan 0.000 0.219 218 P C 0.889 178.218 177.300 0.050 0.000 1.146 218 P CA 0.825 63.987 63.100 0.103 0.000 0.808 218 P CB -0.254 31.484 31.700 0.063 0.000 0.779 219 T N 0.100 114.668 114.554 0.022 0.000 2.855 219 T HA 0.048 4.398 4.350 0.001 0.000 0.314 219 T C 0.973 175.559 174.700 -0.190 0.000 1.077 219 T CA 0.089 62.125 62.100 -0.106 0.000 1.095 219 T CB 0.116 68.884 68.868 -0.167 0.000 0.987 219 T HN -0.073 nan 8.240 nan 0.000 0.546 220 R N 2.456 122.746 120.500 -0.350 0.000 2.629 220 R HA 0.174 4.515 4.340 0.001 0.000 0.408 220 R C -0.287 175.618 176.300 -0.658 0.000 1.057 220 R CA -0.111 55.742 56.100 -0.413 0.000 1.119 220 R CB 0.490 30.628 30.300 -0.270 0.000 1.403 220 R HN 0.672 nan 8.270 nan 0.000 0.576 221 Q N 0.265 119.546 119.800 -0.865 0.000 2.390 221 Q HA 0.318 4.658 4.340 0.001 0.000 0.249 221 Q C -0.352 175.176 176.000 -0.787 0.000 0.996 221 Q CA -0.046 55.394 55.803 -0.604 0.000 0.899 221 Q CB 0.661 29.194 28.738 -0.342 0.000 1.216 221 Q HN 0.044 nan 8.270 nan 0.000 0.465 222 F N -0.985 118.949 119.950 -0.027 0.000 2.856 222 F HA 0.161 4.689 4.527 0.001 0.000 0.338 222 F C 0.445 176.246 175.800 0.001 0.000 1.100 222 F CA -0.397 57.602 58.000 -0.002 0.000 1.150 222 F CB 1.048 40.050 39.000 0.003 0.000 1.101 222 F HN 0.204 nan 8.300 nan 0.000 0.548 223 S N 0.918 116.695 115.700 0.129 0.000 2.430 223 S HA 0.140 4.610 4.470 0.001 0.000 0.282 223 S C 1.259 175.903 174.600 0.073 0.000 1.186 223 S CA 0.239 58.494 58.200 0.091 0.000 1.060 223 S CB 0.681 63.939 63.200 0.098 0.000 0.966 223 S HN 0.361 nan 8.310 nan 0.000 0.501 224 S N 1.137 116.871 115.700 0.056 0.000 2.517 224 S HA 0.121 4.591 4.470 0.001 0.000 0.214 224 S C 0.621 175.224 174.600 0.006 0.000 0.991 224 S CA -0.223 58.005 58.200 0.046 0.000 0.906 224 S CB -0.408 62.831 63.200 0.064 0.000 0.789 224 S HN 0.870 nan 8.310 nan 0.000 0.513 225 C N 0.555 119.836 119.300 -0.032 0.000 2.701 225 C HA 0.891 5.351 4.460 0.001 0.000 0.336 225 C C -0.707 174.202 174.990 -0.136 0.000 1.123 225 C CA -0.640 58.340 59.018 -0.065 0.000 1.326 225 C CB 0.850 28.573 27.740 -0.028 0.000 1.833 225 C HN 0.644 nan 8.230 nan 0.000 0.473 226 V N 3.132 122.932 119.914 -0.190 0.000 2.789 226 V HA 0.913 5.033 4.120 0.001 0.000 0.311 226 V C -1.499 174.494 176.094 -0.167 0.000 1.073 226 V CA -0.605 61.529 62.300 -0.276 0.000 0.921 226 V CB 1.755 33.207 31.823 -0.618 0.000 1.009 226 V HN 0.905 nan 8.190 nan 0.000 0.426 227 L N 6.035 127.172 121.223 -0.144 0.000 2.356 227 L HA 0.689 5.029 4.340 0.001 0.000 0.277 227 L C -0.340 176.469 176.870 -0.102 0.000 0.996 227 L CA -0.240 54.534 54.840 -0.110 0.000 0.822 227 L CB 1.715 43.703 42.059 -0.119 0.000 1.256 227 L HN 0.657 nan 8.230 nan 0.000 0.413 228 I N 1.478 121.992 120.570 -0.092 0.000 2.466 228 I HA 0.462 4.632 4.170 0.001 0.000 0.289 228 I C -0.370 175.695 176.117 -0.087 0.000 1.026 228 I CA -0.673 60.578 61.300 -0.083 0.000 1.078 228 I CB 2.238 40.184 38.000 -0.090 0.000 1.249 228 I HN 0.603 nan 8.210 nan 0.000 0.429 229 E N 4.852 125.013 120.200 -0.065 0.000 2.175 229 E HA 0.342 4.692 4.350 0.001 0.000 0.278 229 E C -1.457 175.129 176.600 -0.023 0.000 0.969 229 E CA -0.542 55.833 56.400 -0.041 0.000 0.796 229 E CB 1.987 31.666 29.700 -0.035 0.000 1.104 229 E HN 0.738 nan 8.360 nan 0.000 0.395 230 C N 4.443 123.738 119.300 -0.008 0.000 2.319 230 C HA 0.768 5.228 4.460 0.001 0.000 0.335 230 C C 0.745 175.771 174.990 0.060 0.000 1.274 230 C CA -0.182 58.852 59.018 0.028 0.000 1.806 230 C CB -0.477 27.291 27.740 0.048 0.000 2.329 230 C HN 0.845 nan 8.230 nan 0.000 0.524 231 G N 3.142 111.980 108.800 0.062 0.000 2.528 231 G HA2 0.315 4.276 3.960 0.001 0.000 0.289 231 G HA3 0.315 4.276 3.960 0.001 0.000 0.289 231 G C -0.410 174.542 174.900 0.087 0.000 1.192 231 G CA -0.107 45.025 45.100 0.054 0.000 0.921 231 G HN 0.799 nan 8.290 nan 0.000 0.512 232 D N -0.290 120.144 120.400 0.057 0.000 2.688 232 D HA 0.351 4.991 4.640 0.001 0.000 0.228 232 D C 0.210 176.589 176.300 0.132 0.000 1.116 232 D CA 0.029 54.075 54.000 0.076 0.000 1.023 232 D CB -0.498 40.259 40.800 -0.071 0.000 1.100 232 D HN 0.479 nan 8.370 nan 0.000 0.487 233 S N 0.105 116.022 115.700 0.362 0.000 2.565 233 S HA 0.215 4.686 4.470 0.001 0.000 0.274 233 S C 0.812 175.548 174.600 0.226 0.000 1.144 233 S CA -0.898 57.583 58.200 0.468 0.000 0.849 233 S CB 0.527 63.842 63.200 0.192 0.000 1.103 233 S HN 0.082 nan 8.310 nan 0.000 0.455 234 L N 0.821 122.118 121.223 0.122 0.000 2.131 234 L HA -0.052 4.288 4.340 0.001 0.000 0.210 234 L C 1.830 178.707 176.870 0.013 0.000 1.092 234 L CA 1.372 56.170 54.840 -0.070 0.000 0.759 234 L CB -0.640 41.383 42.059 -0.060 0.000 0.903 234 L HN 0.689 nan 8.230 nan 0.000 0.435 235 D N -0.643 119.793 120.400 0.060 0.000 2.097 235 D HA -0.177 4.464 4.640 0.001 0.000 0.195 235 D C 2.410 178.750 176.300 0.068 0.000 0.989 235 D CA 1.433 55.470 54.000 0.061 0.000 0.827 235 D CB -0.061 40.777 40.800 0.062 0.000 0.966 235 D HN 0.065 nan 8.370 nan 0.000 0.456 236 S N -0.477 115.268 115.700 0.075 0.000 2.368 236 S HA -0.048 4.422 4.470 0.001 0.000 0.224 236 S C 2.087 176.749 174.600 0.104 0.000 1.029 236 S CA 0.439 58.687 58.200 0.080 0.000 0.988 236 S CB -0.204 63.044 63.200 0.080 0.000 0.838 236 S HN 0.159 nan 8.310 nan 0.000 0.462 237 I N 1.861 122.484 120.570 0.089 0.000 2.286 237 I HA -0.176 3.994 4.170 0.001 0.000 0.248 237 I C 2.116 178.371 176.117 0.230 0.000 1.115 237 I CA 0.955 62.350 61.300 0.158 0.000 1.392 237 I CB -0.371 37.553 38.000 -0.127 0.000 1.065 237 I HN 0.272 nan 8.210 nan 0.000 0.418 238 N N 0.959 119.745 118.700 0.142 0.000 2.188 238 N HA -0.088 4.652 4.740 0.001 0.000 0.184 238 N C 1.872 177.470 175.510 0.147 0.000 1.018 238 N CA 1.534 54.679 53.050 0.159 0.000 0.858 238 N CB -0.345 38.205 38.487 0.105 0.000 0.989 238 N HN 0.340 nan 8.380 nan 0.000 0.426 239 A N 0.183 123.072 122.820 0.114 0.000 1.898 239 A HA -0.079 4.242 4.320 0.001 0.000 0.216 239 A C 2.312 179.951 177.584 0.092 0.000 1.181 239 A CA 1.809 53.900 52.037 0.091 0.000 0.620 239 A CB -1.055 17.988 19.000 0.072 0.000 0.819 239 A HN 0.276 nan 8.150 nan 0.000 0.442 240 T N -0.314 114.300 114.554 0.100 0.000 2.684 240 T HA -0.180 4.170 4.350 0.001 0.000 0.267 240 T C 2.274 177.022 174.700 0.080 0.000 1.036 240 T CA 1.852 63.980 62.100 0.046 0.000 1.148 240 T CB -0.424 68.421 68.868 -0.038 0.000 0.863 240 T HN 0.530 nan 8.240 nan 0.000 0.436 241 S N 0.725 116.548 115.700 0.205 0.000 2.353 241 S HA -0.155 4.315 4.470 0.001 0.000 0.222 241 S C 2.374 177.032 174.600 0.096 0.000 1.035 241 S CA 1.845 60.154 58.200 0.182 0.000 1.025 241 S CB -0.586 62.743 63.200 0.216 0.000 0.902 241 S HN 0.493 nan 8.310 nan 0.000 0.440 242 S N 1.660 117.418 115.700 0.098 0.000 2.370 242 S HA -0.077 4.394 4.470 0.001 0.000 0.226 242 S C 2.233 176.867 174.600 0.057 0.000 1.033 242 S CA 1.197 59.438 58.200 0.067 0.000 1.011 242 S CB -0.864 62.375 63.200 0.064 0.000 0.852 242 S HN 0.725 nan 8.310 nan 0.000 0.457 243 A N 1.479 124.343 122.820 0.074 0.000 1.883 243 A HA -0.085 4.235 4.320 0.001 0.000 0.217 243 A C 2.114 179.786 177.584 0.146 0.000 1.186 243 A CA 1.423 53.526 52.037 0.110 0.000 0.624 243 A CB -0.797 18.277 19.000 0.123 0.000 0.822 243 A HN 0.473 nan 8.150 nan 0.000 0.444 244 I N -0.562 120.066 120.570 0.097 0.000 2.208 244 I HA -0.235 3.936 4.170 0.001 0.000 0.245 244 I C 2.379 178.546 176.117 0.084 0.000 1.097 244 I CA 1.163 62.516 61.300 0.088 0.000 1.363 244 I CB -0.301 37.719 38.000 0.035 0.000 1.051 244 I HN 0.170 nan 8.210 nan 0.000 0.413 245 V N 0.654 120.600 119.914 0.053 0.000 2.261 245 V HA -0.283 3.837 4.120 0.001 0.000 0.246 245 V C 2.559 178.662 176.094 0.015 0.000 1.047 245 V CA 1.695 64.013 62.300 0.030 0.000 1.015 245 V CB -0.676 31.158 31.823 0.019 0.000 0.642 245 V HN 0.338 nan 8.190 nan 0.000 0.446 246 K N -0.803 119.589 120.400 -0.013 0.000 2.044 246 K HA -0.221 4.099 4.320 0.001 0.000 0.210 246 K C 2.087 178.604 176.600 -0.138 0.000 1.049 246 K CA 2.032 58.257 56.287 -0.104 0.000 0.927 246 K CB -0.575 31.818 32.500 -0.178 0.000 0.713 246 K HN 0.532 nan 8.250 nan 0.000 0.443 247 Y N 0.644 120.942 120.300 -0.003 0.000 2.243 247 Y HA -0.153 4.397 4.550 0.001 0.000 0.293 247 Y C 2.316 178.212 175.900 -0.006 0.000 1.124 247 Y CA 0.911 59.007 58.100 -0.006 0.000 1.159 247 Y CB -0.582 37.877 38.460 -0.001 0.000 1.008 247 Y HN -0.091 nan 8.280 nan 0.000 0.527 248 V N -2.014 117.989 119.914 0.147 0.000 2.594 248 V HA -0.209 3.911 4.120 0.001 0.000 0.253 248 V C 2.229 178.355 176.094 0.052 0.000 1.069 248 V CA 1.809 64.160 62.300 0.086 0.000 1.082 248 V CB -1.321 30.537 31.823 0.058 0.000 0.680 248 V HN 0.446 nan 8.190 nan 0.000 0.469 249 S N 0.766 116.483 115.700 0.030 0.000 2.419 249 S HA -0.234 4.236 4.470 0.001 0.000 0.233 249 S C 1.769 176.368 174.600 -0.003 0.000 1.016 249 S CA 1.664 59.865 58.200 0.002 0.000 0.974 249 S CB -0.603 62.583 63.200 -0.024 0.000 0.786 249 S HN 0.804 nan 8.310 nan 0.000 0.492 250 Q N 0.067 119.872 119.800 0.008 0.000 2.201 250 Q HA 0.408 4.749 4.340 0.001 0.000 0.217 250 Q C -0.128 175.897 176.000 0.042 0.000 0.860 250 Q CA -0.307 55.499 55.803 0.004 0.000 0.984 250 Q CB 0.231 28.957 28.738 -0.021 0.000 1.095 250 Q HN 0.459 nan 8.270 nan 0.000 0.477 251 R N -1.389 119.142 120.500 0.052 0.000 3.936 251 R HA -0.165 4.176 4.340 0.001 0.000 0.366 251 R C -0.398 175.943 176.300 0.069 0.000 1.158 251 R CA 0.495 56.628 56.100 0.055 0.000 0.969 251 R CB -2.031 28.297 30.300 0.047 0.000 1.504 251 R HN 0.302 nan 8.270 nan 0.000 0.538 252 A N 0.764 123.639 122.820 0.092 0.000 2.340 252 A HA 0.621 4.942 4.320 0.001 0.000 0.268 252 A C 0.850 178.461 177.584 0.044 0.000 1.100 252 A CA 0.416 52.495 52.037 0.070 0.000 0.803 252 A CB 0.731 19.780 19.000 0.082 0.000 1.043 252 A HN 0.290 nan 8.150 nan 0.000 0.488 253 G N 0.688 109.502 108.800 0.023 0.000 2.420 253 G HA2 0.528 4.489 3.960 0.001 0.000 0.284 253 G HA3 0.528 4.489 3.960 0.001 0.000 0.284 253 G C -0.346 174.548 174.900 -0.010 0.000 1.177 253 G CA -0.405 44.705 45.100 0.017 0.000 0.841 253 G HN 0.544 nan 8.290 nan 0.000 0.527 254 I N 0.995 121.564 120.570 -0.003 0.000 2.509 254 I HA 0.473 4.644 4.170 0.001 0.000 0.293 254 I C 0.549 176.674 176.117 0.015 0.000 1.020 254 I CA -0.829 60.460 61.300 -0.019 0.000 1.088 254 I CB 1.388 39.373 38.000 -0.025 0.000 1.267 254 I HN 0.538 nan 8.210 nan 0.000 0.430 255 G N 6.434 115.254 108.800 0.033 0.000 2.370 255 G HA2 0.711 4.672 3.960 0.001 0.000 0.317 255 G HA3 0.711 4.672 3.960 0.001 0.000 0.317 255 G C -0.699 174.257 174.900 0.094 0.000 1.162 255 G CA -0.344 44.855 45.100 0.164 0.000 0.922 255 G HN 0.479 nan 8.290 nan 0.000 0.454 256 I N 2.319 122.961 120.570 0.120 0.000 2.362 256 I HA 0.206 4.377 4.170 0.001 0.000 0.289 256 I C -0.417 175.779 176.117 0.131 0.000 0.994 256 I CA -1.025 60.263 61.300 -0.020 0.000 1.158 256 I CB 1.903 39.766 38.000 -0.229 0.000 1.315 256 I HN 0.309 nan 8.210 nan 0.000 0.451 257 N N 5.423 124.163 118.700 0.067 0.000 2.414 257 N HA 0.459 5.199 4.740 0.001 0.000 0.256 257 N C -0.072 175.503 175.510 0.107 0.000 1.029 257 N CA -0.184 52.952 53.050 0.143 0.000 0.948 257 N CB 1.656 40.186 38.487 0.072 0.000 1.102 257 N HN 0.754 nan 8.380 nan 0.000 0.496 258 A N 2.287 125.219 122.820 0.186 0.000 2.610 258 A HA 0.349 4.670 4.320 0.001 0.000 0.291 258 A C 1.327 179.110 177.584 0.331 0.000 1.116 258 A CA -0.040 52.138 52.037 0.235 0.000 0.963 258 A CB -0.233 18.891 19.000 0.207 0.000 1.220 258 A HN 0.631 nan 8.150 nan 0.000 0.530 259 G N -0.049 108.955 108.800 0.341 0.000 2.679 259 G HA2 -0.067 3.893 3.960 0.001 0.000 0.212 259 G HA3 -0.067 3.893 3.960 0.001 0.000 0.212 259 G C 1.369 176.387 174.900 0.196 0.000 1.137 259 G CA 0.405 45.723 45.100 0.363 0.000 0.787 259 G HN 0.520 nan 8.290 nan 0.000 0.534 260 R N -0.627 119.897 120.500 0.040 0.000 2.254 260 R HA 0.268 4.609 4.340 0.001 0.000 0.195 260 R C 0.521 176.860 176.300 0.064 0.000 0.957 260 R CA -0.284 55.732 56.100 -0.140 0.000 1.024 260 R CB 0.188 30.350 30.300 -0.231 0.000 0.952 260 R HN 0.296 nan 8.270 nan 0.000 0.484 261 I N 3.703 124.398 120.570 0.208 0.000 2.668 261 I HA -0.069 4.101 4.170 0.001 0.000 0.285 261 I C 0.664 176.974 176.117 0.322 0.000 1.168 261 I CA 0.074 61.547 61.300 0.288 0.000 1.424 261 I CB 0.310 38.527 38.000 0.362 0.000 1.377 261 I HN 0.164 nan 8.210 nan 0.000 0.560 262 R N 5.950 126.586 120.500 0.225 0.000 2.694 262 R HA 0.565 4.905 4.340 0.001 0.000 0.268 262 R C -0.075 176.351 176.300 0.209 0.000 1.061 262 R CA -0.682 55.500 56.100 0.137 0.000 1.133 262 R CB 0.346 30.627 30.300 -0.031 0.000 1.020 262 R HN 0.608 nan 8.270 nan 0.000 0.475 263 A N 2.717 125.590 122.820 0.089 0.000 2.332 263 A HA 0.240 4.560 4.320 0.001 0.000 0.258 263 A C -0.064 177.558 177.584 0.063 0.000 1.087 263 A CA -0.770 51.329 52.037 0.105 0.000 0.802 263 A CB 0.297 19.277 19.000 -0.034 0.000 1.042 263 A HN 0.754 nan 8.150 nan 0.000 0.489 264 L N 1.529 122.783 121.223 0.052 0.000 2.640 264 L HA 0.364 4.704 4.340 0.001 0.000 0.280 264 L C 1.208 178.059 176.870 -0.033 0.000 1.229 264 L CA 2.249 57.100 54.840 0.019 0.000 0.919 264 L CB -0.272 41.786 42.059 -0.002 0.000 1.168 264 L HN 1.689 nan 8.230 nan 0.000 0.496 265 G N 2.156 110.905 108.800 -0.086 0.000 2.179 265 G HA2 -0.233 3.727 3.960 0.001 0.000 0.220 265 G HA3 -0.233 3.727 3.960 0.001 0.000 0.220 265 G C 0.409 175.107 174.900 -0.337 0.000 0.990 265 G CA 0.112 45.093 45.100 -0.199 0.000 0.646 265 G HN 0.880 nan 8.290 nan 0.000 0.517 266 S N 2.391 117.931 115.700 -0.267 0.000 2.580 266 S HA 0.569 5.039 4.470 0.001 0.000 0.274 266 S C -1.195 173.232 174.600 -0.288 0.000 1.329 266 S CA -0.618 57.454 58.200 -0.213 0.000 1.036 266 S CB 1.223 64.355 63.200 -0.113 0.000 0.919 266 S HN 0.305 nan 8.310 nan 0.000 0.515 275 H N 1.110 120.367 119.070 0.313 0.000 2.321 275 H HA -0.078 4.478 4.556 0.001 0.000 0.300 275 H C 1.640 177.020 175.328 0.086 0.000 1.087 275 H CA 2.685 58.820 56.048 0.145 0.000 1.319 275 H CB -0.099 29.728 29.762 0.108 0.000 1.379 275 H HN 0.428 nan 8.280 nan 0.000 0.501 276 T N -1.996 112.695 114.554 0.228 0.000 3.129 276 T HA 0.377 4.727 4.350 0.001 0.000 0.251 276 T C 0.902 175.595 174.700 -0.012 0.000 1.117 276 T CA 0.527 62.666 62.100 0.063 0.000 1.034 276 T CB 0.016 68.854 68.868 -0.049 0.000 0.968 276 T HN 0.670 nan 8.240 nan 0.000 0.526 277 G N -0.331 108.514 108.800 0.076 0.000 2.661 277 G HA2 -0.172 3.789 3.960 0.001 0.000 0.685 277 G HA3 -0.172 3.789 3.960 0.001 0.000 0.685 277 G C 0.613 175.540 174.900 0.047 0.000 1.298 277 G CA -0.628 44.502 45.100 0.051 0.000 0.855 277 G HN 0.310 nan 8.290 nan 0.000 0.560 278 C N -0.144 119.144 119.300 -0.020 0.000 2.457 278 C HA 0.066 4.526 4.460 0.001 0.000 0.278 278 C C 3.018 177.788 174.990 -0.367 0.000 1.309 278 C CA 1.345 60.283 59.018 -0.134 0.000 1.735 278 C CB -1.529 25.890 27.740 -0.534 0.000 1.992 278 C HN 0.549 nan 8.230 nan 0.000 0.493 279 I N 1.628 121.951 120.570 -0.412 0.000 2.163 279 I HA -0.149 4.021 4.170 0.001 0.000 0.243 279 I C -0.500 175.502 176.117 -0.192 0.000 1.085 279 I CA 1.708 62.807 61.300 -0.334 0.000 1.347 279 I CB -1.806 36.043 38.000 -0.253 0.000 1.044 279 I HN 0.221 nan 8.210 nan 0.000 0.408 280 P HA -0.151 nan 4.420 nan 0.000 0.216 280 P C 1.543 178.639 177.300 -0.339 0.000 1.150 280 P CA 1.535 64.424 63.100 -0.351 0.000 0.837 280 P CB -0.075 31.298 31.700 -0.545 0.000 0.786 281 F N -2.588 117.285 119.950 -0.129 0.000 2.206 281 F HA -0.125 4.402 4.527 0.001 0.000 0.298 281 F C 2.261 177.856 175.800 -0.341 0.000 1.090 281 F CA 0.977 58.822 58.000 -0.258 0.000 1.323 281 F CB -1.615 37.250 39.000 -0.225 0.000 1.028 281 F HN -0.096 nan 8.300 nan 0.000 0.492 282 Y N 0.701 120.961 120.300 -0.068 0.000 2.165 282 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 282 Y C 2.357 178.314 175.900 0.096 0.000 1.155 282 Y CA 0.780 58.943 58.100 0.104 0.000 1.164 282 Y CB -1.214 37.361 38.460 0.192 0.000 0.978 282 Y HN 0.033 nan 8.280 nan 0.000 0.513 283 K N -1.032 119.490 120.400 0.204 0.000 2.074 283 K HA -0.265 4.056 4.320 0.001 0.000 0.209 283 K C 2.030 178.715 176.600 0.142 0.000 1.048 283 K CA 1.866 58.240 56.287 0.144 0.000 0.926 283 K CB -0.342 32.198 32.500 0.067 0.000 0.713 283 K HN 0.296 nan 8.250 nan 0.000 0.444 284 H N -0.540 118.510 119.070 -0.034 0.000 2.423 284 H HA -0.073 4.484 4.556 0.001 0.000 0.297 284 H C 1.473 176.850 175.328 0.082 0.000 1.075 284 H CA 1.499 57.530 56.048 -0.028 0.000 1.342 284 H CB 0.005 29.718 29.762 -0.082 0.000 1.395 284 H HN 0.076 nan 8.280 nan 0.000 0.530 285 F N 0.683 120.701 119.950 0.114 0.000 2.134 285 F HA -0.147 4.380 4.527 0.001 0.000 0.299 285 F C 2.798 178.598 175.800 0.001 0.000 1.097 285 F CA 1.439 59.451 58.000 0.020 0.000 1.264 285 F CB -1.124 37.907 39.000 0.051 0.000 1.001 285 F HN 0.302 nan 8.300 nan 0.000 0.479 286 Q N 0.278 120.214 119.800 0.226 0.000 2.096 286 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 286 Q C 2.121 178.174 176.000 0.088 0.000 0.982 286 Q CA 2.735 58.629 55.803 0.151 0.000 0.850 286 Q CB -0.183 28.660 28.738 0.175 0.000 0.901 286 Q HN 0.537 nan 8.270 nan 0.000 0.422 287 T N -1.663 112.928 114.554 0.062 0.000 2.867 287 T HA 0.016 4.366 4.350 0.001 0.000 0.268 287 T C 1.856 176.550 174.700 -0.009 0.000 1.057 287 T CA 0.935 63.050 62.100 0.025 0.000 1.136 287 T CB -0.390 68.502 68.868 0.039 0.000 0.874 287 T HN 0.354 nan 8.240 nan 0.000 0.466 288 A N 1.478 124.271 122.820 -0.044 0.000 1.877 288 A HA 0.042 4.362 4.320 0.001 0.000 0.216 288 A C 2.611 180.206 177.584 0.018 0.000 1.186 288 A CA 1.558 53.577 52.037 -0.029 0.000 0.620 288 A CB -1.172 17.812 19.000 -0.026 0.000 0.822 288 A HN 0.391 nan 8.150 nan 0.000 0.443 289 V N -0.490 119.448 119.914 0.040 0.000 2.568 289 V HA -0.195 3.926 4.120 0.001 0.000 0.253 289 V C 2.216 178.328 176.094 0.030 0.000 1.072 289 V CA 2.382 64.706 62.300 0.039 0.000 1.084 289 V CB -0.531 31.320 31.823 0.045 0.000 0.676 289 V HN 0.488 nan 8.190 nan 0.000 0.469 290 K N 0.093 120.506 120.400 0.022 0.000 2.358 290 K HA 0.091 4.412 4.320 0.001 0.000 0.197 290 K C 1.974 178.575 176.600 0.002 0.000 1.025 290 K CA 0.591 56.881 56.287 0.006 0.000 1.104 290 K CB 0.101 32.595 32.500 -0.011 0.000 0.855 290 K HN 0.583 nan 8.250 nan 0.000 0.531 291 S N -1.044 114.661 115.700 0.007 0.000 2.469 291 S HA -0.141 4.329 4.470 0.001 0.000 0.238 291 S C 1.273 175.877 174.600 0.006 0.000 0.998 291 S CA 0.664 58.867 58.200 0.006 0.000 0.957 291 S CB -0.366 62.838 63.200 0.007 0.000 0.764 291 S HN 0.257 nan 8.310 nan 0.000 0.514 292 C N 2.730 122.034 119.300 0.008 0.000 2.741 292 C HA 0.601 5.062 4.460 0.001 0.000 0.267 292 C C 0.521 175.515 174.990 0.008 0.000 1.549 292 C CA -0.663 58.360 59.018 0.008 0.000 1.772 292 C CB -1.474 26.272 27.740 0.010 0.000 2.962 292 C HN 0.637 nan 8.230 nan 0.000 0.514 293 S N -0.073 115.629 115.700 0.004 0.000 2.614 293 S HA 0.637 5.108 4.470 0.001 0.000 0.288 293 S C -0.464 174.133 174.600 -0.005 0.000 1.137 293 S CA -0.273 57.928 58.200 0.002 0.000 0.992 293 S CB 2.194 65.397 63.200 0.004 0.000 1.026 293 S HN 0.452 nan 8.310 nan 0.000 0.486 294 Q N 2.798 122.597 119.800 -0.002 0.000 1.932 294 Q HA -0.220 4.120 4.340 0.001 0.000 0.407 294 Q C 0.471 176.465 176.000 -0.009 0.000 0.787 294 Q CA 2.386 58.186 55.803 -0.004 0.000 0.852 294 Q CB -1.677 27.057 28.738 -0.006 0.000 3.472 294 Q HN 1.699 nan 8.270 nan 0.000 0.793 295 G N -0.382 108.409 108.800 -0.015 0.000 4.829 295 G HA2 0.527 4.488 3.960 0.001 0.000 0.320 295 G HA3 0.527 4.488 3.960 0.001 0.000 0.320 295 G C 0.627 175.504 174.900 -0.039 0.000 1.445 295 G CA 0.441 45.529 45.100 -0.019 0.000 1.151 295 G HN 1.661 nan 8.290 nan 0.000 0.572 296 G N -0.750 108.024 108.800 -0.043 0.000 2.198 296 G HA2 -0.174 3.787 3.960 0.001 0.000 0.257 296 G HA3 -0.174 3.787 3.960 0.001 0.000 0.257 296 G C 0.759 175.585 174.900 -0.123 0.000 1.042 296 G CA 0.952 46.007 45.100 -0.075 0.000 0.791 296 G HN 1.566 nan 8.290 nan 0.000 0.502 297 V N -4.284 115.584 119.914 -0.076 0.000 3.415 297 V HA 0.492 4.613 4.120 0.001 0.000 0.204 297 V C 1.127 177.214 176.094 -0.012 0.000 1.365 297 V CA 0.842 63.102 62.300 -0.066 0.000 1.310 297 V CB -0.070 31.721 31.823 -0.053 0.000 1.231 297 V HN 0.364 nan 8.190 nan 0.000 0.538 298 R N 2.003 122.502 120.500 -0.002 0.000 2.220 298 R HA 0.536 4.877 4.340 0.001 0.000 0.340 298 R C 0.179 176.490 176.300 0.018 0.000 1.076 298 R CA 1.096 57.205 56.100 0.014 0.000 0.920 298 R CB -0.062 30.246 30.300 0.014 0.000 1.062 298 R HN 1.180 nan 8.270 nan 0.000 0.469 299 G N 1.882 110.699 108.800 0.028 0.000 2.587 299 G HA2 0.224 4.184 3.960 0.001 0.000 0.686 299 G HA3 0.224 4.184 3.960 0.001 0.000 0.686 299 G C -0.096 174.823 174.900 0.032 0.000 1.236 299 G CA -0.442 44.677 45.100 0.031 0.000 0.820 299 G HN 1.086 nan 8.290 nan 0.000 0.645 300 G N -1.034 107.789 108.800 0.038 0.000 3.144 300 G HA2 0.508 4.468 3.960 0.001 0.000 0.247 300 G HA3 0.508 4.468 3.960 0.001 0.000 0.247 300 G C 0.359 175.284 174.900 0.042 0.000 0.899 300 G CA 1.005 46.128 45.100 0.038 0.000 0.822 300 G HN 2.690 nan 8.290 nan 0.000 0.362 301 A N 1.629 124.475 122.820 0.043 0.000 2.469 301 A HA 1.220 5.541 4.320 0.001 0.000 0.299 301 A C 0.203 177.803 177.584 0.026 0.000 1.098 301 A CA 0.056 52.119 52.037 0.044 0.000 0.737 301 A CB 1.967 21.004 19.000 0.061 0.000 1.312 301 A HN 2.731 nan 8.150 nan 0.000 0.414 302 A N -0.002 122.821 122.820 0.006 0.000 2.612 302 A HA 0.841 5.161 4.320 0.001 0.000 0.293 302 A C -0.699 176.833 177.584 -0.086 0.000 1.075 302 A CA -0.398 51.623 52.037 -0.027 0.000 0.680 302 A CB 1.308 20.287 19.000 -0.035 0.000 1.279 302 A HN 1.012 nan 8.150 nan 0.000 0.411 303 T N 1.461 115.955 114.554 -0.101 0.000 2.841 303 T HA 0.556 4.906 4.350 0.001 0.000 0.285 303 T C -0.898 173.613 174.700 -0.315 0.000 0.991 303 T CA -0.169 61.782 62.100 -0.247 0.000 0.966 303 T CB 0.937 69.696 68.868 -0.181 0.000 0.962 303 T HN 0.625 nan 8.240 nan 0.000 0.438 304 L N 3.915 124.873 121.223 -0.442 0.000 2.317 304 L HA 0.743 5.084 4.340 0.001 0.000 0.281 304 L C -1.471 175.255 176.870 -0.240 0.000 1.024 304 L CA -0.722 53.989 54.840 -0.213 0.000 0.810 304 L CB 0.644 42.623 42.059 -0.133 0.000 1.240 304 L HN 0.531 nan 8.230 nan 0.000 0.427 305 F N 4.135 124.133 119.950 0.081 0.000 2.480 305 F HA 0.583 5.110 4.527 0.001 0.000 0.329 305 F C -0.532 175.379 175.800 0.185 0.000 1.091 305 F CA -0.493 57.545 58.000 0.063 0.000 0.972 305 F CB 1.522 40.562 39.000 0.066 0.000 1.150 305 F HN 0.345 nan 8.300 nan 0.000 0.467 306 Y N 0.332 120.820 120.300 0.314 0.000 2.571 306 Y HA 0.774 5.324 4.550 0.001 0.000 0.341 306 Y C -3.418 172.556 175.900 0.125 0.000 1.076 306 Y CA -3.775 54.452 58.100 0.212 0.000 1.029 306 Y CB 0.783 39.312 38.460 0.114 0.000 1.308 306 Y HN 0.230 nan 8.280 nan 0.000 0.461 307 P HA 0.156 nan 4.420 nan 0.000 0.274 307 P C 0.696 177.867 177.300 -0.215 0.000 1.231 307 P CA -0.470 62.459 63.100 -0.285 0.000 0.790 307 P CB 0.980 31.961 31.700 -1.198 0.000 0.951 308 M N 1.996 121.458 119.600 -0.230 0.000 2.296 308 M HA -0.052 4.429 4.480 0.001 0.000 0.265 308 M C 0.659 176.963 176.300 0.005 0.000 1.064 308 M CA 1.676 56.931 55.300 -0.074 0.000 1.109 308 M CB -0.161 32.379 32.600 -0.100 0.000 1.396 308 M HN 0.486 nan 8.290 nan 0.000 0.430 309 W N -0.594 120.733 121.300 0.044 0.000 3.353 309 W HA 0.174 4.834 4.660 0.001 0.000 0.304 309 W C 0.252 176.879 176.519 0.180 0.000 1.273 309 W CA -0.513 56.907 57.345 0.125 0.000 1.773 309 W CB -1.448 28.135 29.460 0.205 0.000 1.095 309 W HN 0.069 nan 8.180 nan 0.000 0.676 310 H N 2.291 121.328 119.070 -0.054 0.000 2.897 310 H HA -0.071 4.485 4.556 0.001 0.000 0.347 310 H C 1.025 176.400 175.328 0.079 0.000 1.068 310 H CA 0.585 56.634 56.048 0.002 0.000 1.426 310 H CB 1.806 31.511 29.762 -0.095 0.000 1.410 310 H HN 0.070 nan 8.280 nan 0.000 0.597 311 L N 4.241 125.383 121.223 -0.134 0.000 2.079 311 L HA -0.145 4.195 4.340 0.001 0.000 0.210 311 L C 1.668 178.581 176.870 0.071 0.000 1.081 311 L CA 1.816 56.639 54.840 -0.028 0.000 0.752 311 L CB -0.330 41.665 42.059 -0.107 0.000 0.896 311 L HN 0.716 nan 8.230 nan 0.000 0.433 312 E N -1.422 118.937 120.200 0.266 0.000 2.437 312 E HA -0.050 4.300 4.350 0.001 0.000 0.189 312 E C 2.053 178.622 176.600 -0.052 0.000 1.054 312 E CA 0.255 56.705 56.400 0.083 0.000 0.874 312 E CB 0.122 29.834 29.700 0.020 0.000 1.011 312 E HN 0.387 nan 8.360 nan 0.000 0.474 313 V N 1.277 121.194 119.914 0.004 0.000 2.317 313 V HA -0.364 3.756 4.120 0.001 0.000 0.251 313 V C 2.074 178.111 176.094 -0.096 0.000 1.065 313 V CA 2.347 64.598 62.300 -0.082 0.000 1.049 313 V CB -0.066 31.791 31.823 0.057 0.000 0.651 313 V HN 0.279 nan 8.190 nan 0.000 0.450 314 E N -0.349 119.818 120.200 -0.056 0.000 2.118 314 E HA -0.177 4.174 4.350 0.001 0.000 0.195 314 E C 2.246 178.792 176.600 -0.089 0.000 0.992 314 E CA 1.737 58.103 56.400 -0.056 0.000 0.804 314 E CB -0.134 29.543 29.700 -0.037 0.000 0.741 314 E HN 0.772 nan 8.360 nan 0.000 0.458 315 S N 0.076 115.703 115.700 -0.121 0.000 2.414 315 S HA -0.014 4.456 4.470 0.001 0.000 0.227 315 S C 1.920 176.390 174.600 -0.216 0.000 1.022 315 S CA 0.432 58.544 58.200 -0.147 0.000 0.958 315 S CB -0.052 63.060 63.200 -0.147 0.000 0.797 315 S HN 0.215 nan 8.310 nan 0.000 0.493 316 L N 0.871 121.905 121.223 -0.314 0.000 2.093 316 L HA -0.023 4.318 4.340 0.001 0.000 0.208 316 L C 2.116 178.789 176.870 -0.328 0.000 1.085 316 L CA 0.512 55.071 54.840 -0.469 0.000 0.755 316 L CB -0.587 40.928 42.059 -0.907 0.000 0.904 316 L HN 0.252 nan 8.230 nan 0.000 0.435 317 L N 0.085 121.212 121.223 -0.160 0.000 2.189 317 L HA -0.151 4.189 4.340 0.001 0.000 0.214 317 L C 2.123 178.947 176.870 -0.077 0.000 1.097 317 L CA 1.700 56.514 54.840 -0.044 0.000 0.764 317 L CB -0.605 41.444 42.059 -0.016 0.000 0.900 317 L HN 0.284 nan 8.230 nan 0.000 0.436 318 V N -5.683 114.167 119.914 -0.108 0.000 3.427 318 V HA 0.138 4.258 4.120 0.001 0.000 0.305 318 V C 1.903 177.945 176.094 -0.087 0.000 1.412 318 V CA 0.015 62.268 62.300 -0.078 0.000 1.086 318 V CB -0.272 31.514 31.823 -0.062 0.000 0.964 318 V HN 0.200 nan 8.190 nan 0.000 0.439 319 L N 1.461 122.595 121.223 -0.149 0.000 2.263 319 L HA -0.135 4.205 4.340 0.001 0.000 0.216 319 L C 2.569 179.434 176.870 -0.007 0.000 1.111 319 L CA 2.408 57.176 54.840 -0.119 0.000 0.773 319 L CB -0.191 41.714 42.059 -0.257 0.000 0.906 319 L HN 0.626 nan 8.230 nan 0.000 0.439 320 K N -1.949 118.462 120.400 0.019 0.000 2.374 320 K HA 0.051 4.371 4.320 0.001 0.000 0.202 320 K C 0.677 177.272 176.600 -0.009 0.000 1.040 320 K CA -0.364 55.944 56.287 0.036 0.000 1.085 320 K CB 0.013 32.573 32.500 0.099 0.000 0.873 320 K HN -0.033 nan 8.250 nan 0.000 0.539 321 N N 3.479 122.170 118.700 -0.015 0.000 2.414 321 N HA -0.065 4.675 4.740 0.001 0.000 0.268 321 N C -1.135 174.361 175.510 -0.023 0.000 1.286 321 N CA 0.100 53.138 53.050 -0.020 0.000 0.896 321 N CB 0.210 38.683 38.487 -0.023 0.000 1.093 321 N HN 0.271 nan 8.380 nan 0.000 0.480 322 N N 3.780 122.466 118.700 -0.023 0.000 2.739 322 N HA 0.225 4.965 4.740 0.001 0.000 0.266 322 N C -0.587 174.914 175.510 -0.014 0.000 1.168 322 N CA -0.029 53.009 53.050 -0.020 0.000 1.055 322 N CB 0.233 38.709 38.487 -0.019 0.000 1.393 322 N HN 0.403 nan 8.380 nan 0.000 0.514 323 R N 0.851 121.342 120.500 -0.014 0.000 3.971 323 R HA 0.501 4.842 4.340 0.001 0.000 0.243 323 R C -0.750 175.540 176.300 -0.017 0.000 1.054 323 R CA -0.293 55.799 56.100 -0.013 0.000 1.243 323 R CB 1.057 31.349 30.300 -0.014 0.000 1.244 323 R HN 0.708 nan 8.270 nan 0.000 0.547 324 G N 0.705 109.496 108.800 -0.015 0.000 2.525 324 G HA2 -0.126 3.835 3.960 0.001 0.000 0.685 324 G HA3 -0.126 3.835 3.960 0.001 0.000 0.685 324 G C -1.278 173.612 174.900 -0.017 0.000 1.290 324 G CA -0.489 44.600 45.100 -0.018 0.000 0.915 324 G HN 0.514 nan 8.290 nan 0.000 0.548 325 V N 0.666 120.568 119.914 -0.020 0.000 2.585 325 V HA 0.370 4.490 4.120 0.001 0.000 0.296 325 V C 1.886 177.970 176.094 -0.016 0.000 1.035 325 V CA 1.537 63.826 62.300 -0.018 0.000 1.084 325 V CB 1.308 33.118 31.823 -0.022 0.000 0.953 325 V HN 1.121 nan 8.190 nan 0.000 0.483 326 E N 4.649 124.844 120.200 -0.009 0.000 2.208 326 E HA -0.173 4.178 4.350 0.001 0.000 0.202 326 E C 1.809 178.405 176.600 -0.006 0.000 1.014 326 E CA 2.027 58.426 56.400 -0.001 0.000 0.819 326 E CB -0.483 29.220 29.700 0.005 0.000 0.735 326 E HN 0.927 nan 8.360 nan 0.000 0.469 327 G N -1.105 107.684 108.800 -0.019 0.000 2.848 327 G HA2 -0.147 3.813 3.960 0.001 0.000 0.208 327 G HA3 -0.147 3.813 3.960 0.001 0.000 0.208 327 G C 0.730 175.604 174.900 -0.044 0.000 1.152 327 G CA 0.388 45.469 45.100 -0.031 0.000 0.789 327 G HN 0.264 nan 8.290 nan 0.000 0.531 328 N N -0.389 118.287 118.700 -0.040 0.000 2.291 328 N HA 0.211 4.952 4.740 0.001 0.000 0.244 328 N C -0.403 175.080 175.510 -0.046 0.000 1.216 328 N CA -0.348 52.669 53.050 -0.055 0.000 0.879 328 N CB 0.763 39.214 38.487 -0.061 0.000 1.167 328 N HN -0.115 nan 8.380 nan 0.000 0.515 329 R N 0.850 121.339 120.500 -0.018 0.000 2.561 329 R HA 0.458 4.798 4.340 0.001 0.000 0.297 329 R C -1.197 175.131 176.300 0.047 0.000 0.969 329 R CA -0.676 55.425 56.100 0.002 0.000 0.879 329 R CB 1.844 32.144 30.300 -0.000 0.000 1.178 329 R HN -0.189 nan 8.270 nan 0.000 0.445 330 V N 4.923 124.890 119.914 0.087 0.000 2.320 330 V HA 0.330 4.451 4.120 0.001 0.000 0.268 330 V C 1.243 177.437 176.094 0.166 0.000 1.021 330 V CA -0.463 61.941 62.300 0.173 0.000 0.813 330 V CB 1.178 33.172 31.823 0.285 0.000 1.054 330 V HN 0.645 nan 8.190 nan 0.000 0.444 331 R N 0.716 121.225 120.500 0.014 0.000 2.153 331 R HA 0.075 4.415 4.340 0.001 0.000 0.218 331 R C 0.659 176.800 176.300 -0.266 0.000 1.072 331 R CA 0.776 56.757 56.100 -0.199 0.000 0.990 331 R CB 0.148 30.165 30.300 -0.471 0.000 0.889 331 R HN 0.714 nan 8.270 nan 0.000 0.452 332 H N -0.448 118.671 119.070 0.082 0.000 2.591 332 H HA 0.332 4.888 4.556 0.001 0.000 0.302 332 H C 0.008 175.340 175.328 0.007 0.000 1.163 332 H CA 0.133 56.208 56.048 0.046 0.000 1.049 332 H CB 0.073 29.861 29.762 0.044 0.000 1.543 332 H HN 0.037 nan 8.280 nan 0.000 0.523 333 M N 0.663 120.265 119.600 0.004 0.000 2.531 333 M HA 0.216 4.696 4.480 0.001 0.000 0.286 333 M C -0.977 175.082 176.300 -0.402 0.000 1.232 333 M CA -0.835 54.350 55.300 -0.191 0.000 0.877 333 M CB 2.899 35.322 32.600 -0.294 0.000 1.726 333 M HN 0.018 nan 8.290 nan 0.000 0.463 334 D N 0.374 120.529 120.400 -0.408 0.000 2.388 334 D HA 0.565 5.205 4.640 0.001 0.000 0.254 334 D C -1.465 174.353 176.300 -0.804 0.000 1.111 334 D CA 0.271 54.007 54.000 -0.440 0.000 0.993 334 D CB 0.945 41.676 40.800 -0.115 0.000 1.118 334 D HN 0.290 nan 8.370 nan 0.000 0.502 335 Y N -1.242 118.889 120.300 -0.282 0.000 2.492 335 Y HA 0.536 5.087 4.550 0.001 0.000 0.346 335 Y C 0.561 176.227 175.900 -0.389 0.000 0.997 335 Y CA -1.118 56.812 58.100 -0.284 0.000 1.025 335 Y CB 2.541 40.964 38.460 -0.062 0.000 1.263 335 Y HN 0.349 nan 8.280 nan 0.000 0.454 336 G N 1.708 110.260 108.800 -0.412 0.000 2.574 336 G HA2 0.541 4.501 3.960 0.001 0.000 0.306 336 G HA3 0.541 4.501 3.960 0.001 0.000 0.306 336 G C -1.477 173.260 174.900 -0.272 0.000 1.334 336 G CA -0.644 44.292 45.100 -0.274 0.000 0.954 336 G HN 0.440 nan 8.290 nan 0.000 0.500 337 V N 2.696 122.476 119.914 -0.223 0.000 2.498 337 V HA 0.240 4.361 4.120 0.001 0.000 0.279 337 V C 0.189 176.262 176.094 -0.035 0.000 1.048 337 V CA -0.387 61.736 62.300 -0.295 0.000 0.967 337 V CB 1.185 32.883 31.823 -0.208 0.000 0.988 337 V HN 0.728 nan 8.190 nan 0.000 0.473 338 Q N 5.074 124.884 119.800 0.016 0.000 2.314 338 Q HA 0.654 4.995 4.340 0.001 0.000 0.259 338 Q C -0.945 175.181 176.000 0.209 0.000 0.951 338 Q CA -0.176 55.725 55.803 0.163 0.000 0.909 338 Q CB 1.856 30.775 28.738 0.301 0.000 1.236 338 Q HN 0.648 nan 8.270 nan 0.000 0.444 339 I N 2.020 122.657 120.570 0.112 0.000 2.689 339 I HA 0.454 4.624 4.170 0.001 0.000 0.299 339 I C -0.338 175.770 176.117 -0.015 0.000 1.059 339 I CA -1.108 60.217 61.300 0.042 0.000 1.055 339 I CB 1.852 39.768 38.000 -0.141 0.000 1.243 339 I HN 0.635 nan 8.210 nan 0.000 0.425 340 N N 3.423 122.104 118.700 -0.033 0.000 3.038 340 N HA 0.312 5.053 4.740 0.001 0.000 0.307 340 N C 0.209 175.725 175.510 0.009 0.000 1.441 340 N CA -1.033 51.974 53.050 -0.071 0.000 0.772 340 N CB 1.100 39.408 38.487 -0.299 0.000 1.651 340 N HN 0.532 nan 8.380 nan 0.000 0.593 341 K N -0.958 119.460 120.400 0.030 0.000 2.074 341 K HA -0.138 4.182 4.320 0.001 0.000 0.209 341 K C 1.626 178.255 176.600 0.048 0.000 1.048 341 K CA 1.369 57.666 56.287 0.018 0.000 0.926 341 K CB -0.288 32.278 32.500 0.110 0.000 0.713 341 K HN 0.426 nan 8.250 nan 0.000 0.444 342 L N 0.967 122.227 121.223 0.062 0.000 2.017 342 L HA -0.187 4.153 4.340 0.001 0.000 0.208 342 L C 2.041 178.959 176.870 0.080 0.000 1.073 342 L CA 1.760 56.655 54.840 0.091 0.000 0.745 342 L CB -0.556 41.594 42.059 0.151 0.000 0.894 342 L HN 0.279 nan 8.230 nan 0.000 0.432 343 M N -1.462 118.172 119.600 0.057 0.000 2.082 343 M HA -0.263 4.217 4.480 0.001 0.000 0.258 343 M C 2.440 178.803 176.300 0.105 0.000 1.069 343 M CA 1.819 57.175 55.300 0.093 0.000 1.102 343 M CB -1.545 31.071 32.600 0.026 0.000 1.336 343 M HN 0.257 nan 8.290 nan 0.000 0.404 344 Y N 0.862 121.187 120.300 0.042 0.000 2.224 344 Y HA -0.155 4.396 4.550 0.001 0.000 0.289 344 Y C 2.755 178.559 175.900 -0.161 0.000 1.146 344 Y CA 1.714 59.717 58.100 -0.162 0.000 1.182 344 Y CB -1.455 36.805 38.460 -0.334 0.000 0.983 344 Y HN 0.302 nan 8.280 nan 0.000 0.524 345 T N 0.092 114.687 114.554 0.068 0.000 2.708 345 T HA -0.167 4.183 4.350 0.001 0.000 0.266 345 T C 1.988 176.708 174.700 0.034 0.000 1.037 345 T CA 1.262 63.385 62.100 0.038 0.000 1.146 345 T CB -0.130 68.769 68.868 0.052 0.000 0.865 345 T HN 0.172 nan 8.240 nan 0.000 0.435 346 R N 0.847 121.386 120.500 0.066 0.000 2.127 346 R HA 0.007 4.347 4.340 0.001 0.000 0.238 346 R C 2.329 178.651 176.300 0.036 0.000 1.134 346 R CA 0.770 56.919 56.100 0.081 0.000 0.975 346 R CB -1.230 29.157 30.300 0.146 0.000 0.865 346 R HN 0.351 nan 8.270 nan 0.000 0.447 347 L N 0.766 121.963 121.223 -0.044 0.000 2.023 347 L HA -0.048 4.292 4.340 0.001 0.000 0.205 347 L C 2.133 178.938 176.870 -0.108 0.000 1.073 347 L CA 1.504 56.242 54.840 -0.170 0.000 0.745 347 L CB -0.661 41.035 42.059 -0.605 0.000 0.900 347 L HN 0.040 nan 8.230 nan 0.000 0.435 348 L N -0.288 120.883 121.223 -0.086 0.000 1.989 348 L HA -0.241 4.100 4.340 0.001 0.000 0.211 348 L C 2.299 179.155 176.870 -0.024 0.000 1.071 348 L CA 1.706 56.514 54.840 -0.053 0.000 0.749 348 L CB -0.670 41.365 42.059 -0.039 0.000 0.890 348 L HN 0.235 nan 8.230 nan 0.000 0.431 349 K N 0.387 120.783 120.400 -0.007 0.000 2.589 349 K HA 0.052 4.372 4.320 0.001 0.000 0.192 349 K C 0.857 177.464 176.600 0.012 0.000 1.029 349 K CA 0.465 56.757 56.287 0.007 0.000 1.031 349 K CB -0.234 32.278 32.500 0.019 0.000 0.821 349 K HN 0.451 nan 8.250 nan 0.000 0.502 350 G N 2.349 111.152 108.800 0.005 0.000 2.393 350 G HA2 -0.289 3.671 3.960 0.001 0.000 0.299 350 G HA3 -0.289 3.671 3.960 0.001 0.000 0.299 350 G C -0.350 174.567 174.900 0.029 0.000 0.990 350 G CA 0.667 45.775 45.100 0.014 0.000 1.118 350 G HN 0.449 nan 8.290 nan 0.000 0.513 351 E N -0.738 119.488 120.200 0.044 0.000 2.639 351 E HA 0.521 4.871 4.350 0.001 0.000 0.219 351 E C -0.531 176.112 176.600 0.072 0.000 0.800 351 E CA -1.037 55.395 56.400 0.053 0.000 1.002 351 E CB 0.767 30.502 29.700 0.058 0.000 1.621 351 E HN 0.164 nan 8.360 nan 0.000 0.396 352 D N 0.154 120.601 120.400 0.078 0.000 2.268 352 D HA 0.449 5.089 4.640 0.001 0.000 0.249 352 D C -0.703 175.680 176.300 0.139 0.000 1.008 352 D CA -0.223 53.830 54.000 0.088 0.000 0.939 352 D CB 1.162 41.993 40.800 0.053 0.000 1.170 352 D HN 0.194 nan 8.370 nan 0.000 0.468 353 I N 0.825 121.486 120.570 0.151 0.000 2.436 353 I HA 0.176 4.347 4.170 0.001 0.000 0.289 353 I C -0.060 176.158 176.117 0.168 0.000 1.010 353 I CA -0.478 60.959 61.300 0.228 0.000 1.098 353 I CB 1.948 40.084 38.000 0.228 0.000 1.266 353 I HN 0.048 nan 8.210 nan 0.000 0.434 354 T N 6.976 121.655 114.554 0.208 0.000 2.845 354 T HA 0.533 4.883 4.350 0.001 0.000 0.288 354 T C -0.129 174.545 174.700 -0.043 0.000 0.980 354 T CA -0.442 61.607 62.100 -0.084 0.000 1.071 354 T CB 0.833 69.475 68.868 -0.376 0.000 0.941 354 T HN 0.265 nan 8.240 nan 0.000 0.487 355 L N 3.658 124.735 121.223 -0.245 0.000 2.307 355 L HA 0.632 4.973 4.340 0.001 0.000 0.284 355 L C -0.866 175.797 176.870 -0.345 0.000 1.023 355 L CA -0.759 54.044 54.840 -0.063 0.000 0.810 355 L CB 0.695 42.751 42.059 -0.005 0.000 1.231 355 L HN 0.575 nan 8.230 nan 0.000 0.423 356 F N -0.025 120.051 119.950 0.211 0.000 2.577 356 F HA 0.385 4.912 4.527 0.001 0.000 0.318 356 F C 0.515 176.338 175.800 0.038 0.000 1.065 356 F CA -0.897 57.155 58.000 0.086 0.000 0.929 356 F CB 2.090 41.104 39.000 0.025 0.000 1.237 356 F HN 0.343 nan 8.300 nan 0.000 0.468 357 S N 3.322 119.086 115.700 0.107 0.000 2.505 357 S HA 0.225 4.695 4.470 0.001 0.000 0.276 357 S C -1.486 173.171 174.600 0.095 0.000 1.274 357 S CA -1.385 56.779 58.200 -0.060 0.000 1.053 357 S CB 0.871 64.024 63.200 -0.078 0.000 0.919 357 S HN 0.398 nan 8.310 nan 0.000 0.490 358 P HA -0.137 nan 4.420 nan 0.000 0.218 358 P C 1.479 178.819 177.300 0.066 0.000 1.148 358 P CA 1.379 64.621 63.100 0.237 0.000 0.822 358 P CB -0.382 31.432 31.700 0.189 0.000 0.784 359 S N -1.263 114.433 115.700 -0.006 0.000 2.500 359 S HA -0.128 4.342 4.470 0.001 0.000 0.239 359 S C 1.310 175.863 174.600 -0.078 0.000 0.989 359 S CA 1.174 59.338 58.200 -0.060 0.000 0.951 359 S CB -0.866 62.274 63.200 -0.100 0.000 0.759 359 S HN 0.088 nan 8.310 nan 0.000 0.523 360 D N 0.913 121.263 120.400 -0.082 0.000 2.389 360 D HA 0.147 4.787 4.640 0.001 0.000 0.206 360 D C 0.352 176.469 176.300 -0.305 0.000 1.055 360 D CA 0.408 54.327 54.000 -0.135 0.000 0.856 360 D CB 1.054 41.812 40.800 -0.070 0.000 0.957 360 D HN 0.504 nan 8.370 nan 0.000 0.509 361 V N 0.206 119.906 119.914 -0.357 0.000 2.266 361 V HA 0.413 4.533 4.120 0.001 0.000 0.266 361 V C -2.776 173.112 176.094 -0.342 0.000 1.036 361 V CA -2.021 59.837 62.300 -0.737 0.000 0.828 361 V CB 0.871 32.122 31.823 -0.952 0.000 1.081 361 V HN -0.201 nan 8.190 nan 0.000 0.449 362 P HA 0.259 nan 4.420 nan 0.000 0.267 362 P C 1.169 178.540 177.300 0.119 0.000 1.205 362 P CA 1.694 64.800 63.100 0.011 0.000 0.765 362 P CB 1.264 32.980 31.700 0.027 0.000 0.828 363 G N 2.579 111.465 108.800 0.143 0.000 2.267 363 G HA2 -0.302 3.658 3.960 0.001 0.000 0.257 363 G HA3 -0.302 3.658 3.960 0.001 0.000 0.257 363 G C 0.791 175.825 174.900 0.223 0.000 0.998 363 G CA 0.198 45.403 45.100 0.175 0.000 0.620 363 G HN 0.533 nan 8.290 nan 0.000 0.529 364 L N -0.516 120.833 121.223 0.210 0.000 2.072 364 L HA 0.068 4.408 4.340 0.001 0.000 0.205 364 L C 2.368 179.495 176.870 0.428 0.000 1.079 364 L CA 2.778 57.727 54.840 0.182 0.000 0.752 364 L CB -0.693 41.300 42.059 -0.110 0.000 0.906 364 L HN 0.447 nan 8.230 nan 0.000 0.436 365 Y N 1.361 121.913 120.300 0.420 0.000 2.097 365 Y HA -0.308 4.242 4.550 0.001 0.000 0.282 365 Y C 2.409 178.676 175.900 0.612 0.000 1.152 365 Y CA 2.165 60.642 58.100 0.628 0.000 1.136 365 Y CB -0.227 38.552 38.460 0.532 0.000 0.975 365 Y HN 0.295 nan 8.280 nan 0.000 0.498 366 D N -0.032 120.680 120.400 0.519 0.000 2.104 366 D HA -0.202 4.439 4.640 0.001 0.000 0.194 366 D C 2.292 178.777 176.300 0.308 0.000 0.994 366 D CA 1.583 55.811 54.000 0.379 0.000 0.830 366 D CB -0.724 40.248 40.800 0.287 0.000 0.959 366 D HN 0.474 nan 8.370 nan 0.000 0.452 367 A N 0.499 123.504 122.820 0.309 0.000 1.933 367 A HA -0.188 4.133 4.320 0.001 0.000 0.218 367 A C 2.061 179.793 177.584 0.246 0.000 1.175 367 A CA 0.973 53.179 52.037 0.282 0.000 0.628 367 A CB -0.992 18.199 19.000 0.318 0.000 0.814 367 A HN 0.250 nan 8.150 nan 0.000 0.444 368 F N -0.315 119.666 119.950 0.052 0.000 2.202 368 F HA -0.145 4.382 4.527 0.001 0.000 0.301 368 F C 1.593 177.040 175.800 -0.588 0.000 1.082 368 F CA 1.460 59.171 58.000 -0.482 0.000 1.313 368 F CB -0.304 38.464 39.000 -0.387 0.000 1.024 368 F HN 0.223 nan 8.300 nan 0.000 0.495 369 F N -0.597 119.223 119.950 -0.216 0.000 2.317 369 F HA 0.264 4.791 4.527 0.001 0.000 0.290 369 F C 2.401 178.104 175.800 -0.162 0.000 1.075 369 F CA 0.913 58.739 58.000 -0.290 0.000 1.380 369 F CB -1.116 37.749 39.000 -0.225 0.000 1.093 369 F HN -0.052 nan 8.300 nan 0.000 0.524 370 A N -2.008 120.882 122.820 0.115 0.000 2.169 370 A HA 0.134 4.454 4.320 0.001 0.000 0.210 370 A C -0.106 177.511 177.584 0.054 0.000 1.168 370 A CA 0.686 52.772 52.037 0.082 0.000 0.813 370 A CB 0.112 19.169 19.000 0.096 0.000 0.861 370 A HN 0.182 nan 8.150 nan 0.000 0.481 371 D N -1.023 119.412 120.400 0.058 0.000 2.318 371 D HA 0.163 4.804 4.640 0.001 0.000 0.233 371 D C 0.312 176.667 176.300 0.092 0.000 1.348 371 D CA -0.244 53.796 54.000 0.066 0.000 0.983 371 D CB 0.759 41.606 40.800 0.079 0.000 1.416 371 D HN -0.060 nan 8.370 nan 0.000 0.558 372 Q N 1.422 121.259 119.800 0.061 0.000 2.079 372 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 372 Q C 1.742 177.832 176.000 0.150 0.000 0.974 372 Q CA 1.229 57.086 55.803 0.090 0.000 0.840 372 Q CB 0.145 28.907 28.738 0.041 0.000 0.898 372 Q HN 0.706 nan 8.270 nan 0.000 0.430 373 E N 0.820 121.078 120.200 0.096 0.000 2.077 373 E HA -0.229 4.122 4.350 0.001 0.000 0.193 373 E C 1.770 178.416 176.600 0.076 0.000 0.989 373 E CA 1.466 57.912 56.400 0.077 0.000 0.800 373 E CB -0.280 29.447 29.700 0.045 0.000 0.746 373 E HN 0.293 nan 8.360 nan 0.000 0.452 374 E N 0.764 121.014 120.200 0.082 0.000 2.153 374 E HA -0.164 4.187 4.350 0.001 0.000 0.194 374 E C 1.859 178.510 176.600 0.086 0.000 0.988 374 E CA 0.838 57.277 56.400 0.065 0.000 0.811 374 E CB -0.565 29.177 29.700 0.071 0.000 0.746 374 E HN 0.313 nan 8.360 nan 0.000 0.466 375 F N 1.460 121.416 119.950 0.010 0.000 2.075 375 F HA -0.154 4.374 4.527 0.001 0.000 0.297 375 F C 2.269 178.071 175.800 0.003 0.000 1.113 375 F CA 2.297 60.303 58.000 0.009 0.000 1.218 375 F CB -0.501 38.515 39.000 0.025 0.000 0.984 375 F HN 0.160 nan 8.300 nan 0.000 0.472 376 E N 0.191 120.432 120.200 0.069 0.000 2.085 376 E HA -0.300 4.051 4.350 0.001 0.000 0.194 376 E C 2.519 179.070 176.600 -0.082 0.000 0.994 376 E CA 1.442 57.836 56.400 -0.010 0.000 0.801 376 E CB -0.354 29.399 29.700 0.087 0.000 0.743 376 E HN 0.446 nan 8.360 nan 0.000 0.453 377 R N 0.267 120.721 120.500 -0.077 0.000 2.080 377 R HA -0.159 4.182 4.340 0.001 0.000 0.236 377 R C 2.461 178.625 176.300 -0.228 0.000 1.137 377 R CA 1.690 57.719 56.100 -0.118 0.000 0.943 377 R CB -0.320 29.927 30.300 -0.088 0.000 0.846 377 R HN 0.281 nan 8.270 nan 0.000 0.431 378 L N -0.511 120.544 121.223 -0.281 0.000 2.056 378 L HA -0.181 4.159 4.340 0.001 0.000 0.207 378 L C 2.436 178.990 176.870 -0.527 0.000 1.078 378 L CA 1.193 55.752 54.840 -0.469 0.000 0.749 378 L CB -0.586 41.289 42.059 -0.306 0.000 0.901 378 L HN 0.268 nan 8.230 nan 0.000 0.433 379 Y N 1.235 121.166 120.300 -0.615 0.000 2.114 379 Y HA -0.312 4.238 4.550 0.001 0.000 0.284 379 Y C 2.992 178.715 175.900 -0.295 0.000 1.143 379 Y CA 2.230 59.971 58.100 -0.598 0.000 1.135 379 Y CB -0.587 37.358 38.460 -0.859 0.000 0.980 379 Y HN 0.309 nan 8.280 nan 0.000 0.499 380 T N -1.411 113.045 114.554 -0.162 0.000 2.708 380 T HA -0.281 4.069 4.350 0.001 0.000 0.266 380 T C 1.948 176.537 174.700 -0.185 0.000 1.037 380 T CA 1.768 63.785 62.100 -0.138 0.000 1.146 380 T CB -0.624 68.208 68.868 -0.060 0.000 0.865 380 T HN 0.371 nan 8.240 nan 0.000 0.435 381 K N 0.125 120.369 120.400 -0.261 0.000 2.044 381 K HA -0.195 4.125 4.320 0.001 0.000 0.210 381 K C 2.062 178.499 176.600 -0.272 0.000 1.049 381 K CA 1.638 57.739 56.287 -0.310 0.000 0.927 381 K CB -0.504 31.723 32.500 -0.457 0.000 0.713 381 K HN 0.418 nan 8.250 nan 0.000 0.443 382 Y N 1.369 121.529 120.300 -0.234 0.000 2.373 382 Y HA -0.018 4.532 4.550 0.001 0.000 0.293 382 Y C 1.888 177.754 175.900 -0.057 0.000 1.129 382 Y CA 0.962 58.931 58.100 -0.218 0.000 1.226 382 Y CB -0.148 38.011 38.460 -0.501 0.000 1.000 382 Y HN 0.256 nan 8.280 nan 0.000 0.549 383 E N -0.105 120.115 120.200 0.033 0.000 2.106 383 E HA -0.204 4.147 4.350 0.001 0.000 0.192 383 E C 1.971 178.565 176.600 -0.011 0.000 0.984 383 E CA 1.072 57.473 56.400 0.002 0.000 0.806 383 E CB -0.046 29.581 29.700 -0.122 0.000 0.750 383 E HN 0.187 nan 8.360 nan 0.000 0.458 384 K N 1.183 121.565 120.400 -0.029 0.000 2.063 384 K HA -0.114 4.206 4.320 0.001 0.000 0.208 384 K C 0.566 177.165 176.600 -0.003 0.000 1.048 384 K CA 0.860 57.131 56.287 -0.026 0.000 0.928 384 K CB -0.146 32.326 32.500 -0.047 0.000 0.713 384 K HN -0.011 nan 8.250 nan 0.000 0.442 385 D N 0.619 121.036 120.400 0.028 0.000 2.358 385 D HA -0.043 4.597 4.640 0.001 0.000 0.258 385 D C -0.020 176.301 176.300 0.036 0.000 1.223 385 D CA 0.111 54.136 54.000 0.043 0.000 0.886 385 D CB 0.728 41.585 40.800 0.095 0.000 1.120 385 D HN 0.054 nan 8.370 nan 0.000 0.482 386 D N 1.662 122.070 120.400 0.014 0.000 2.183 386 D HA -0.154 4.486 4.640 0.001 0.000 0.203 386 D C 1.790 178.091 176.300 0.002 0.000 0.969 386 D CA 0.808 54.809 54.000 0.002 0.000 0.842 386 D CB -0.139 40.657 40.800 -0.006 0.000 0.957 386 D HN 0.499 nan 8.370 nan 0.000 0.484 387 S N 0.114 115.819 115.700 0.008 0.000 2.547 387 S HA -0.048 4.422 4.470 0.001 0.000 0.235 387 S C 0.907 175.507 174.600 -0.000 0.000 0.980 387 S CA 0.027 58.228 58.200 0.002 0.000 0.941 387 S CB -0.160 63.042 63.200 0.003 0.000 0.763 387 S HN 0.016 nan 8.310 nan 0.000 0.532 388 I N 2.581 123.160 120.570 0.015 0.000 2.315 388 I HA 0.376 4.546 4.170 0.001 0.000 0.291 388 I C 0.599 176.723 176.117 0.012 0.000 1.006 388 I CA -0.664 60.648 61.300 0.019 0.000 1.265 388 I CB 0.956 38.995 38.000 0.065 0.000 1.387 388 I HN 0.234 nan 8.210 nan 0.000 0.475 389 R N 7.187 127.682 120.500 -0.008 0.000 2.522 389 R HA 0.219 4.560 4.340 0.001 0.000 0.284 389 R C -0.418 175.838 176.300 -0.074 0.000 1.032 389 R CA 0.350 56.426 56.100 -0.040 0.000 1.049 389 R CB 0.489 30.762 30.300 -0.046 0.000 0.956 389 R HN 0.843 nan 8.270 nan 0.000 0.422 390 K N 1.958 122.260 120.400 -0.164 0.000 2.615 390 K HA 0.274 4.594 4.320 0.001 0.000 0.291 390 K C -1.686 174.754 176.600 -0.268 0.000 1.017 390 K CA -1.132 54.937 56.287 -0.363 0.000 0.882 390 K CB 1.557 33.751 32.500 -0.509 0.000 1.522 390 K HN 0.414 nan 8.250 nan 0.000 0.412 391 Q N 1.310 120.926 119.800 -0.307 0.000 2.268 391 Q HA 0.304 4.644 4.340 0.001 0.000 0.266 391 Q C -1.483 174.415 176.000 -0.170 0.000 1.006 391 Q CA -0.635 55.057 55.803 -0.184 0.000 0.824 391 Q CB 2.446 31.110 28.738 -0.122 0.000 1.306 391 Q HN 0.615 nan 8.270 nan 0.000 0.424 392 R N 1.081 121.509 120.500 -0.120 0.000 2.357 392 R HA 0.527 4.867 4.340 0.001 0.000 0.296 392 R C -0.081 176.199 176.300 -0.034 0.000 1.052 392 R CA -0.215 55.840 56.100 -0.076 0.000 0.988 392 R CB 1.094 31.358 30.300 -0.060 0.000 1.025 392 R HN 0.443 nan 8.270 nan 0.000 0.469 393 V N -0.423 119.490 119.914 -0.001 0.000 3.102 393 V HA 0.551 4.672 4.120 0.001 0.000 0.312 393 V C -0.737 175.385 176.094 0.047 0.000 1.135 393 V CA -1.356 60.956 62.300 0.019 0.000 1.022 393 V CB 2.021 33.858 31.823 0.022 0.000 1.056 393 V HN 0.450 nan 8.190 nan 0.000 0.436 394 K N 1.663 122.093 120.400 0.049 0.000 2.368 394 K HA 0.650 4.970 4.320 0.001 0.000 0.282 394 K C 1.084 177.749 176.600 0.108 0.000 1.035 394 K CA 0.716 57.043 56.287 0.067 0.000 0.973 394 K CB 1.081 33.612 32.500 0.052 0.000 0.957 394 K HN 0.965 nan 8.250 nan 0.000 0.474 395 A N 3.615 126.518 122.820 0.138 0.000 1.933 395 A HA -0.125 4.195 4.320 0.001 0.000 0.218 395 A C 1.703 179.466 177.584 0.299 0.000 1.175 395 A CA 1.893 54.072 52.037 0.238 0.000 0.628 395 A CB -0.516 18.609 19.000 0.209 0.000 0.814 395 A HN 0.543 nan 8.150 nan 0.000 0.444 396 V N -0.374 119.638 119.914 0.163 0.000 2.427 396 V HA -0.221 3.900 4.120 0.001 0.000 0.248 396 V C 2.250 178.438 176.094 0.156 0.000 1.051 396 V CA 2.090 64.475 62.300 0.141 0.000 1.048 396 V CB -0.886 30.978 31.823 0.069 0.000 0.666 396 V HN 0.605 nan 8.190 nan 0.000 0.456 397 E N 0.001 120.272 120.200 0.118 0.000 2.107 397 E HA -0.160 4.190 4.350 0.001 0.000 0.191 397 E C 2.081 178.731 176.600 0.083 0.000 0.982 397 E CA 0.931 57.381 56.400 0.083 0.000 0.809 397 E CB -0.154 29.578 29.700 0.054 0.000 0.756 397 E HN 0.389 nan 8.360 nan 0.000 0.459 398 L N -0.120 121.160 121.223 0.095 0.000 2.056 398 L HA -0.104 4.236 4.340 0.001 0.000 0.207 398 L C 1.781 178.645 176.870 -0.010 0.000 1.078 398 L CA 1.607 56.463 54.840 0.027 0.000 0.749 398 L CB -0.394 41.664 42.059 -0.000 0.000 0.901 398 L HN 0.077 nan 8.230 nan 0.000 0.433 399 F N -0.764 119.201 119.950 0.025 0.000 2.171 399 F HA -0.182 4.345 4.527 0.001 0.000 0.300 399 F C 2.577 178.394 175.800 0.029 0.000 1.090 399 F CA 1.657 59.673 58.000 0.027 0.000 1.293 399 F CB -0.531 38.488 39.000 0.031 0.000 1.013 399 F HN 0.022 nan 8.300 nan 0.000 0.486 400 S N -0.053 115.762 115.700 0.192 0.000 2.406 400 S HA -0.119 4.352 4.470 0.001 0.000 0.228 400 S C 1.877 176.512 174.600 0.060 0.000 1.020 400 S CA 0.695 58.960 58.200 0.108 0.000 0.965 400 S CB -0.387 62.859 63.200 0.078 0.000 0.798 400 S HN 0.227 nan 8.310 nan 0.000 0.488 401 L N 1.817 123.066 121.223 0.044 0.000 2.044 401 L HA 0.123 4.463 4.340 0.001 0.000 0.205 401 L C 2.199 179.074 176.870 0.008 0.000 1.075 401 L CA 1.678 56.527 54.840 0.015 0.000 0.747 401 L CB -0.708 41.353 42.059 0.003 0.000 0.903 401 L HN 0.315 nan 8.230 nan 0.000 0.435 402 M N -1.466 118.133 119.600 -0.001 0.000 2.082 402 M HA -0.273 4.208 4.480 0.001 0.000 0.258 402 M C 1.989 178.306 176.300 0.028 0.000 1.069 402 M CA 2.012 57.308 55.300 -0.005 0.000 1.102 402 M CB -0.050 32.512 32.600 -0.063 0.000 1.336 402 M HN 0.282 nan 8.290 nan 0.000 0.404 403 M N -0.278 119.356 119.600 0.057 0.000 2.229 403 M HA -0.154 4.326 4.480 0.001 0.000 0.264 403 M C 2.042 178.357 176.300 0.025 0.000 1.063 403 M CA 1.629 56.968 55.300 0.064 0.000 1.114 403 M CB -1.492 31.162 32.600 0.090 0.000 1.387 403 M HN 0.456 nan 8.290 nan 0.000 0.420 404 Q N 0.219 120.027 119.800 0.014 0.000 2.020 404 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 404 Q C 1.999 177.998 176.000 -0.002 0.000 0.982 404 Q CA 1.384 57.185 55.803 -0.004 0.000 0.838 404 Q CB 0.174 28.910 28.738 -0.003 0.000 0.899 404 Q HN 0.373 nan 8.270 nan 0.000 0.423 405 E N 0.210 120.412 120.200 0.003 0.000 2.058 405 E HA -0.232 4.118 4.350 0.001 0.000 0.194 405 E C 1.911 178.517 176.600 0.009 0.000 0.997 405 E CA 1.087 57.488 56.400 0.001 0.000 0.801 405 E CB -0.323 29.375 29.700 -0.003 0.000 0.746 405 E HN 0.319 nan 8.360 nan 0.000 0.450 406 R N 0.795 121.307 120.500 0.021 0.000 2.096 406 R HA -0.160 4.181 4.340 0.001 0.000 0.240 406 R C 2.250 178.584 176.300 0.056 0.000 1.139 406 R CA 1.766 57.891 56.100 0.042 0.000 0.952 406 R CB -0.259 30.087 30.300 0.078 0.000 0.854 406 R HN 0.145 nan 8.270 nan 0.000 0.436 407 A N 0.389 123.229 122.820 0.034 0.000 1.902 407 A HA -0.179 4.141 4.320 0.001 0.000 0.217 407 A C 2.229 179.825 177.584 0.020 0.000 1.181 407 A CA 1.983 54.032 52.037 0.019 0.000 0.623 407 A CB -0.738 18.236 19.000 -0.044 0.000 0.818 407 A HN 0.642 nan 8.150 nan 0.000 0.443 408 S N -0.652 115.053 115.700 0.008 0.000 2.406 408 S HA -0.120 4.350 4.470 0.001 0.000 0.228 408 S C 1.830 176.436 174.600 0.011 0.000 1.020 408 S CA 1.953 60.155 58.200 0.004 0.000 0.965 408 S CB -0.794 62.403 63.200 -0.005 0.000 0.798 408 S HN 0.782 nan 8.310 nan 0.000 0.488 409 T N -3.881 110.683 114.554 0.016 0.000 3.000 409 T HA 0.504 4.855 4.350 0.001 0.000 0.248 409 T C 1.822 176.542 174.700 0.033 0.000 1.034 409 T CA 0.928 63.037 62.100 0.015 0.000 1.060 409 T CB -0.356 68.515 68.868 0.005 0.000 0.983 409 T HN 1.214 nan 8.240 nan 0.000 0.482 410 G N 2.357 111.193 108.800 0.061 0.000 2.212 410 G HA2 -0.261 3.699 3.960 0.001 0.000 0.266 410 G HA3 -0.261 3.699 3.960 0.001 0.000 0.266 410 G C 0.890 175.894 174.900 0.174 0.000 0.978 410 G CA 0.274 45.452 45.100 0.131 0.000 0.632 410 G HN 0.570 nan 8.290 nan 0.000 0.537 411 R N -0.189 120.309 120.500 -0.004 0.000 2.613 411 R HA 0.380 4.721 4.340 0.001 0.000 0.361 411 R C 0.209 176.098 176.300 -0.686 0.000 1.072 411 R CA -0.243 55.679 56.100 -0.296 0.000 1.089 411 R CB 0.444 30.686 30.300 -0.097 0.000 1.343 411 R HN 0.376 nan 8.270 nan 0.000 0.571 412 I N 2.147 122.487 120.570 -0.383 0.000 2.312 412 I HA 0.275 4.446 4.170 0.001 0.000 0.290 412 I C -0.172 175.824 176.117 -0.202 0.000 1.008 412 I CA -1.235 59.895 61.300 -0.284 0.000 1.226 412 I CB 0.130 38.093 38.000 -0.062 0.000 1.371 412 I HN -0.064 nan 8.210 nan 0.000 0.468 413 Y N 6.256 126.577 120.300 0.036 0.000 2.568 413 Y HA 0.615 5.166 4.550 0.001 0.000 0.327 413 Y C 0.144 176.071 175.900 0.045 0.000 1.163 413 Y CA -1.513 56.612 58.100 0.042 0.000 1.219 413 Y CB 1.045 39.507 38.460 0.003 0.000 1.308 413 Y HN 0.284 nan 8.280 nan 0.000 0.503 414 I N 0.924 121.664 120.570 0.284 0.000 2.465 414 I HA 0.300 4.471 4.170 0.001 0.000 0.291 414 I C -0.667 175.593 176.117 0.238 0.000 1.014 414 I CA -0.626 60.807 61.300 0.222 0.000 1.093 414 I CB 1.901 40.047 38.000 0.244 0.000 1.267 414 I HN 0.498 nan 8.210 nan 0.000 0.431 415 Q N 5.323 125.259 119.800 0.226 0.000 2.357 415 Q HA 0.392 4.732 4.340 0.001 0.000 0.266 415 Q C -1.055 175.040 176.000 0.159 0.000 1.021 415 Q CA -0.721 55.208 55.803 0.210 0.000 0.784 415 Q CB 0.863 29.747 28.738 0.244 0.000 1.243 415 Q HN 0.479 nan 8.270 nan 0.000 0.465 416 N N 4.109 122.911 118.700 0.170 0.000 2.549 416 N HA -0.004 4.737 4.740 0.001 0.000 0.267 416 N C 1.025 176.544 175.510 0.014 0.000 1.182 416 N CA 0.084 53.215 53.050 0.134 0.000 1.019 416 N CB 1.117 39.708 38.487 0.173 0.000 1.380 416 N HN 0.555 nan 8.380 nan 0.000 0.505 417 V N -0.740 119.113 119.914 -0.102 0.000 2.759 417 V HA -0.172 3.948 4.120 0.001 0.000 0.256 417 V C 1.519 177.505 176.094 -0.180 0.000 1.080 417 V CA 1.353 63.555 62.300 -0.164 0.000 1.101 417 V CB -0.327 31.271 31.823 -0.375 0.000 0.698 417 V HN 0.345 nan 8.190 nan 0.000 0.477 418 D N 0.069 120.343 120.400 -0.209 0.000 2.097 418 D HA -0.237 4.404 4.640 0.001 0.000 0.197 418 D C 1.938 178.254 176.300 0.027 0.000 0.984 418 D CA 2.010 55.938 54.000 -0.119 0.000 0.826 418 D CB -0.922 39.823 40.800 -0.091 0.000 0.973 418 D HN 0.510 nan 8.370 nan 0.000 0.460 419 H N 0.026 119.087 119.070 -0.015 0.000 2.422 419 H HA 0.004 4.560 4.556 0.001 0.000 0.298 419 H C 2.211 177.548 175.328 0.015 0.000 1.098 419 H CA 0.628 56.656 56.048 -0.034 0.000 1.315 419 H CB -0.881 28.831 29.762 -0.083 0.000 1.382 419 H HN 0.295 nan 8.280 nan 0.000 0.523 420 C N 0.511 119.888 119.300 0.129 0.000 2.437 420 C HA -0.008 4.453 4.460 0.001 0.000 0.283 420 C C 2.073 177.101 174.990 0.064 0.000 1.424 420 C CA 0.598 59.664 59.018 0.081 0.000 1.782 420 C CB -0.466 27.304 27.740 0.049 0.000 1.833 420 C HN 0.609 nan 8.230 nan 0.000 0.532 421 N N -0.707 118.029 118.700 0.060 0.000 2.297 421 N HA -0.034 4.707 4.740 0.001 0.000 0.208 421 N C 1.699 177.235 175.510 0.043 0.000 1.176 421 N CA 1.165 54.244 53.050 0.049 0.000 0.882 421 N CB -0.026 38.484 38.487 0.038 0.000 1.134 421 N HN 0.624 nan 8.380 nan 0.000 0.489 422 T N -2.150 112.438 114.554 0.057 0.000 3.054 422 T HA -0.024 4.326 4.350 0.001 0.000 0.259 422 T C 0.566 175.307 174.700 0.069 0.000 1.092 422 T CA 0.880 63.007 62.100 0.044 0.000 1.121 422 T CB -0.138 68.754 68.868 0.040 0.000 0.912 422 T HN 0.061 nan 8.240 nan 0.000 0.489 423 H N 0.791 119.836 119.070 -0.041 0.000 2.736 423 H HA 0.702 5.258 4.556 0.001 0.000 0.271 423 H C -1.250 174.051 175.328 -0.045 0.000 1.184 423 H CA -0.851 55.155 56.048 -0.070 0.000 1.378 423 H CB 0.431 30.137 29.762 -0.092 0.000 1.428 423 H HN 0.230 nan 8.280 nan 0.000 0.500 424 S N 4.753 120.325 115.700 -0.213 0.000 2.548 424 S HA 0.228 4.699 4.470 0.001 0.000 0.278 424 S C -2.321 172.118 174.600 -0.269 0.000 1.150 424 S CA -1.048 57.051 58.200 -0.168 0.000 0.907 424 S CB 1.329 64.529 63.200 -0.000 0.000 1.108 424 S HN 0.422 nan 8.310 nan 0.000 0.459 425 P HA 0.077 nan 4.420 nan 0.000 0.228 425 P C -0.183 176.728 177.300 -0.648 0.000 1.151 425 P CA 0.813 63.574 63.100 -0.564 0.000 0.770 425 P CB -0.204 31.190 31.700 -0.511 0.000 0.786 426 F N 0.296 120.200 119.950 -0.076 0.000 2.450 426 F HA 0.330 4.858 4.527 0.001 0.000 0.332 426 F C 0.840 176.599 175.800 -0.067 0.000 1.093 426 F CA -1.358 56.610 58.000 -0.054 0.000 1.003 426 F CB 0.595 39.579 39.000 -0.026 0.000 1.151 426 F HN -0.328 nan 8.300 nan 0.000 0.474 427 D N 4.709 125.179 120.400 0.116 0.000 2.338 427 D HA 0.150 4.790 4.640 0.001 0.000 0.255 427 D C -1.572 174.767 176.300 0.064 0.000 1.237 427 D CA -2.383 51.646 54.000 0.048 0.000 0.883 427 D CB 1.150 41.956 40.800 0.010 0.000 1.087 427 D HN 0.136 nan 8.370 nan 0.000 0.485 428 P HA -0.099 nan 4.420 nan 0.000 0.225 428 P C 0.855 178.173 177.300 0.029 0.000 1.148 428 P CA 0.537 63.661 63.100 0.039 0.000 0.779 428 P CB 0.233 31.958 31.700 0.041 0.000 0.780 429 A N -0.311 122.523 122.820 0.023 0.000 1.968 429 A HA -0.049 4.272 4.320 0.001 0.000 0.217 429 A C 2.155 179.741 177.584 0.004 0.000 1.169 429 A CA 1.118 53.165 52.037 0.018 0.000 0.638 429 A CB -1.024 17.982 19.000 0.012 0.000 0.812 429 A HN 0.189 nan 8.150 nan 0.000 0.446 430 I N -2.250 118.319 120.570 -0.003 0.000 3.039 430 I HA 0.231 4.401 4.170 0.001 0.000 0.270 430 I C 1.132 177.224 176.117 -0.041 0.000 1.150 430 I CA 0.830 62.114 61.300 -0.027 0.000 1.448 430 I CB 0.345 38.328 38.000 -0.029 0.000 1.197 430 I HN 0.191 nan 8.210 nan 0.000 0.450 431 A N 2.610 125.420 122.820 -0.017 0.000 3.266 431 A HA 0.484 4.804 4.320 0.001 0.000 0.310 431 A C -2.662 174.868 177.584 -0.089 0.000 1.066 431 A CA -1.124 50.872 52.037 -0.069 0.000 0.839 431 A CB -0.352 18.617 19.000 -0.052 0.000 1.192 431 A HN -0.084 nan 8.150 nan 0.000 0.496 432 P HA 0.221 nan 4.420 nan 0.000 0.272 432 P C -0.137 177.050 177.300 -0.188 0.000 1.223 432 P CA 0.141 63.189 63.100 -0.086 0.000 0.784 432 P CB 1.305 32.967 31.700 -0.064 0.000 0.923 433 V N 4.735 124.559 119.914 -0.150 0.000 2.383 433 V HA 0.270 4.390 4.120 0.001 0.000 0.275 433 V C 1.468 177.395 176.094 -0.278 0.000 1.036 433 V CA 0.000 62.178 62.300 -0.203 0.000 0.889 433 V CB 0.569 32.335 31.823 -0.095 0.000 0.985 433 V HN 0.550 nan 8.190 nan 0.000 0.459 434 R N 3.962 124.185 120.500 -0.460 0.000 2.566 434 R HA 0.279 4.619 4.340 0.001 0.000 0.388 434 R C 0.062 176.049 176.300 -0.521 0.000 0.989 434 R CA -0.123 55.444 56.100 -0.888 0.000 1.164 434 R CB 0.897 30.434 30.300 -1.271 0.000 1.459 434 R HN 0.936 nan 8.270 nan 0.000 0.553 435 Q N -2.147 117.386 119.800 -0.444 0.000 2.975 435 Q HA 0.392 4.732 4.340 0.001 0.000 0.324 435 Q C -1.444 174.110 176.000 -0.743 0.000 0.830 435 Q CA -0.799 54.555 55.803 -0.748 0.000 0.818 435 Q CB 1.162 29.481 28.738 -0.699 0.000 1.440 435 Q HN -0.063 nan 8.270 nan 0.000 0.475 436 S N -0.569 114.413 115.700 -1.197 0.000 2.911 436 S HA 0.613 5.083 4.470 0.001 0.000 0.319 436 S C -1.335 173.160 174.600 -0.176 0.000 1.154 436 S CA -0.104 57.813 58.200 -0.472 0.000 0.857 436 S CB 1.192 64.297 63.200 -0.158 0.000 1.279 436 S HN 0.827 nan 8.310 nan 0.000 0.593 437 N N 0.545 119.281 118.700 0.060 0.000 2.776 437 N HA 0.244 4.985 4.740 0.001 0.000 0.319 437 N C 1.079 176.692 175.510 0.172 0.000 1.316 437 N CA -0.576 52.535 53.050 0.102 0.000 0.890 437 N CB -0.546 37.951 38.487 0.016 0.000 1.165 437 N HN 0.510 nan 8.380 nan 0.000 0.596 438 L N 0.581 121.850 121.223 0.078 0.000 1.997 438 L HA -0.189 4.151 4.340 0.001 0.000 0.216 438 L C 1.778 178.632 176.870 -0.028 0.000 1.074 438 L CA 2.701 57.565 54.840 0.040 0.000 0.763 438 L CB -0.859 41.214 42.059 0.024 0.000 0.890 438 L HN 0.782 nan 8.230 nan 0.000 0.434 439 S N -1.887 113.771 115.700 -0.070 0.000 2.572 439 S HA 0.268 4.738 4.470 0.001 0.000 0.228 439 S C 0.773 175.248 174.600 -0.207 0.000 0.963 439 S CA -0.065 58.015 58.200 -0.199 0.000 0.939 439 S CB 0.094 63.203 63.200 -0.153 0.000 0.804 439 S HN 0.337 nan 8.310 nan 0.000 0.480 440 L N 1.085 122.254 121.223 -0.090 0.000 4.351 440 L HA -0.159 4.181 4.340 0.001 0.000 0.410 440 L C 1.506 178.358 176.870 -0.030 0.000 1.150 440 L CA 1.447 56.264 54.840 -0.038 0.000 0.961 440 L CB -2.066 39.904 42.059 -0.148 0.000 2.130 440 L HN 0.722 nan 8.230 nan 0.000 0.787 441 E N -0.666 119.517 120.200 -0.029 0.000 2.465 441 E HA 0.102 4.452 4.350 0.001 0.000 0.209 441 E C 0.817 177.416 176.600 -0.002 0.000 0.951 441 E CA -0.064 56.327 56.400 -0.015 0.000 0.997 441 E CB 0.615 30.304 29.700 -0.018 0.000 1.025 441 E HN 0.418 nan 8.360 nan 0.000 0.500 442 I N 2.260 122.826 120.570 -0.007 0.000 2.396 442 I HA 0.428 4.598 4.170 0.001 0.000 0.292 442 I C -0.081 176.018 176.117 -0.030 0.000 0.999 442 I CA -0.752 60.542 61.300 -0.009 0.000 1.310 442 I CB 1.079 39.070 38.000 -0.016 0.000 1.404 442 I HN 0.100 nan 8.210 nan 0.000 0.496 443 A N 8.292 131.107 122.820 -0.009 0.000 2.745 443 A HA 0.737 5.057 4.320 0.001 0.000 0.301 443 A C -0.861 176.719 177.584 -0.006 0.000 1.188 443 A CA -0.404 51.615 52.037 -0.030 0.000 0.746 443 A CB 0.546 19.547 19.000 0.003 0.000 1.207 443 A HN 0.612 nan 8.150 nan 0.000 0.432 444 L N 1.787 122.943 121.223 -0.112 0.000 2.350 444 L HA 0.630 4.971 4.340 0.001 0.000 0.260 444 L C -2.562 174.094 176.870 -0.356 0.000 1.015 444 L CA -2.575 52.133 54.840 -0.219 0.000 0.821 444 L CB 2.776 44.765 42.059 -0.118 0.000 1.370 444 L HN 0.326 nan 8.230 nan 0.000 0.416 445 P HA 0.312 nan 4.420 nan 0.000 0.274 445 P C -0.930 176.230 177.300 -0.234 0.000 1.231 445 P CA -0.261 62.590 63.100 -0.416 0.000 0.790 445 P CB 1.099 32.491 31.700 -0.512 0.000 0.951 446 T N -1.713 112.733 114.554 -0.181 0.000 2.816 446 T HA 0.753 5.104 4.350 0.001 0.000 0.299 446 T C -1.220 173.434 174.700 -0.076 0.000 1.230 446 T CA -0.952 61.082 62.100 -0.109 0.000 1.007 446 T CB 1.993 70.790 68.868 -0.119 0.000 1.289 446 T HN 0.456 nan 8.240 nan 0.000 0.508 447 K N 0.826 121.204 120.400 -0.036 0.000 2.550 447 K HA 0.578 4.899 4.320 0.001 0.000 0.252 447 K C -3.213 173.388 176.600 0.001 0.000 0.943 447 K CA -1.712 54.565 56.287 -0.017 0.000 0.806 447 K CB 2.054 34.547 32.500 -0.011 0.000 1.289 447 K HN 0.345 nan 8.250 nan 0.000 0.435 448 P HA 0.019 nan 4.420 nan 0.000 0.267 448 P C -0.988 176.328 177.300 0.027 0.000 1.200 448 P CA -0.297 62.815 63.100 0.020 0.000 0.772 448 P CB 0.403 32.120 31.700 0.028 0.000 0.855 449 L N 2.915 124.158 121.223 0.034 0.000 2.387 449 L HA 0.355 4.695 4.340 0.001 0.000 0.266 449 L C 1.488 178.384 176.870 0.044 0.000 1.059 449 L CA 0.360 55.225 54.840 0.040 0.000 0.801 449 L CB 0.246 42.332 42.059 0.046 0.000 1.223 449 L HN 0.243 nan 8.230 nan 0.000 0.456 450 N N -0.053 118.673 118.700 0.044 0.000 2.220 450 N HA 0.118 4.858 4.740 0.001 0.000 0.195 450 N C -0.840 174.699 175.510 0.048 0.000 1.123 450 N CA 0.163 53.240 53.050 0.046 0.000 0.874 450 N CB 0.424 38.935 38.487 0.039 0.000 0.995 450 N HN 0.706 nan 8.380 nan 0.000 0.498 451 D N -2.255 118.174 120.400 0.048 0.000 2.685 451 D HA 0.072 4.713 4.640 0.001 0.000 0.236 451 D C 0.990 177.319 176.300 0.048 0.000 1.233 451 D CA -0.480 53.548 54.000 0.047 0.000 0.760 451 D CB 1.036 41.860 40.800 0.039 0.000 1.410 451 D HN -0.217 nan 8.370 nan 0.000 0.439 452 V N 1.184 121.127 119.914 0.047 0.000 2.370 452 V HA -0.147 3.974 4.120 0.001 0.000 0.252 452 V C 1.249 177.368 176.094 0.042 0.000 1.068 452 V CA 1.632 63.960 62.300 0.046 0.000 1.061 452 V CB -0.647 31.198 31.823 0.037 0.000 0.656 452 V HN 0.584 nan 8.190 nan 0.000 0.455 453 N N -0.227 118.495 118.700 0.036 0.000 2.235 453 N HA 0.096 4.836 4.740 0.001 0.000 0.209 453 N C 0.258 175.789 175.510 0.035 0.000 1.122 453 N CA 0.016 53.086 53.050 0.032 0.000 0.845 453 N CB -0.147 38.355 38.487 0.025 0.000 1.004 453 N HN 0.528 nan 8.380 nan 0.000 0.499 454 D N 1.808 122.231 120.400 0.039 0.000 2.451 454 D HA -0.063 4.577 4.640 0.001 0.000 0.254 454 D C 0.993 177.319 176.300 0.042 0.000 1.204 454 D CA 0.459 54.482 54.000 0.039 0.000 0.896 454 D CB 0.748 41.572 40.800 0.040 0.000 1.136 454 D HN 0.057 nan 8.370 nan 0.000 0.499 455 E N 2.958 123.182 120.200 0.040 0.000 2.427 455 E HA -0.083 4.267 4.350 0.001 0.000 0.196 455 E C 0.425 177.059 176.600 0.057 0.000 1.028 455 E CA 0.346 56.774 56.400 0.047 0.000 0.864 455 E CB 0.136 29.861 29.700 0.041 0.000 0.813 455 E HN 0.453 nan 8.360 nan 0.000 0.514 456 N N 0.366 119.093 118.700 0.045 0.000 2.270 456 N HA 0.056 4.796 4.740 0.001 0.000 0.198 456 N C 0.430 175.963 175.510 0.039 0.000 1.117 456 N CA 0.179 53.252 53.050 0.038 0.000 0.845 456 N CB 0.737 39.237 38.487 0.022 0.000 0.980 456 N HN 0.016 nan 8.380 nan 0.000 0.486 457 G N -0.321 108.509 108.800 0.051 0.000 2.488 457 G HA2 0.481 4.441 3.960 0.001 0.000 0.318 457 G HA3 0.481 4.441 3.960 0.001 0.000 0.318 457 G C -0.940 174.003 174.900 0.072 0.000 1.188 457 G CA -0.323 44.806 45.100 0.049 0.000 0.944 457 G HN 0.092 nan 8.290 nan 0.000 0.495 458 E N -0.104 120.131 120.200 0.058 0.000 2.274 458 E HA 0.401 4.751 4.350 0.001 0.000 0.269 458 E C -1.198 175.420 176.600 0.029 0.000 0.891 458 E CA -0.534 55.909 56.400 0.073 0.000 0.784 458 E CB 1.657 31.421 29.700 0.106 0.000 1.225 458 E HN 0.324 nan 8.360 nan 0.000 0.412 459 I N 3.291 123.879 120.570 0.030 0.000 2.354 459 I HA 0.420 4.590 4.170 0.001 0.000 0.292 459 I C 0.216 176.320 176.117 -0.021 0.000 0.989 459 I CA -0.583 60.715 61.300 -0.003 0.000 1.188 459 I CB 1.704 39.718 38.000 0.024 0.000 1.342 459 I HN 0.548 nan 8.210 nan 0.000 0.457 460 A N 7.854 130.639 122.820 -0.057 0.000 2.388 460 A HA 0.770 5.090 4.320 0.001 0.000 0.257 460 A C -0.511 177.033 177.584 -0.067 0.000 1.095 460 A CA -0.016 51.985 52.037 -0.060 0.000 0.791 460 A CB 0.382 19.329 19.000 -0.089 0.000 1.029 460 A HN 0.706 nan 8.150 nan 0.000 0.489 461 L N 0.621 121.826 121.223 -0.030 0.000 2.359 461 L HA 0.695 5.035 4.340 0.001 0.000 0.256 461 L C -0.743 176.131 176.870 0.008 0.000 1.026 461 L CA -0.703 54.123 54.840 -0.022 0.000 0.828 461 L CB 2.381 44.464 42.059 0.039 0.000 1.406 461 L HN 0.786 nan 8.230 nan 0.000 0.413 462 C N 0.232 119.538 119.300 0.010 0.000 2.891 462 C HA 0.634 5.094 4.460 0.001 0.000 0.342 462 C C -0.398 174.605 174.990 0.023 0.000 1.126 462 C CA -0.195 58.836 59.018 0.022 0.000 1.322 462 C CB 1.738 29.488 27.740 0.016 0.000 1.763 462 C HN 0.849 nan 8.230 nan 0.000 0.491 463 T N 6.419 120.986 114.554 0.023 0.000 2.799 463 T HA 0.614 4.964 4.350 0.001 0.000 0.286 463 T C -0.371 174.328 174.700 -0.002 0.000 0.973 463 T CA -0.257 61.851 62.100 0.012 0.000 1.035 463 T CB 0.742 69.611 68.868 0.003 0.000 0.932 463 T HN 0.574 nan 8.240 nan 0.000 0.469 464 L N 1.723 122.945 121.223 -0.003 0.000 2.322 464 L HA 0.881 5.221 4.340 0.001 0.000 0.269 464 L C 0.239 177.093 176.870 -0.027 0.000 1.012 464 L CA -0.817 54.015 54.840 -0.013 0.000 0.815 464 L CB 1.954 44.014 42.059 0.003 0.000 1.295 464 L HN 0.627 nan 8.230 nan 0.000 0.438 465 S N -0.403 115.262 115.700 -0.058 0.000 2.656 465 S HA 0.829 5.299 4.470 0.001 0.000 0.265 465 S C -1.737 172.773 174.600 -0.149 0.000 1.132 465 S CA -0.362 57.791 58.200 -0.079 0.000 0.819 465 S CB 1.946 65.095 63.200 -0.085 0.000 1.119 465 S HN 0.863 nan 8.310 nan 0.000 0.476 466 A N 0.711 123.428 122.820 -0.171 0.000 2.547 466 A HA 0.785 5.105 4.320 0.001 0.000 0.297 466 A C -1.811 175.661 177.584 -0.186 0.000 1.056 466 A CA -0.579 51.340 52.037 -0.198 0.000 0.688 466 A CB 0.542 19.523 19.000 -0.032 0.000 1.282 466 A HN 0.452 nan 8.150 nan 0.000 0.400 467 F N 1.689 121.646 119.950 0.011 0.000 2.443 467 F HA 0.326 4.854 4.527 0.001 0.000 0.353 467 F C 1.009 176.812 175.800 0.005 0.000 1.101 467 F CA -0.453 57.538 58.000 -0.015 0.000 1.226 467 F CB 0.822 39.785 39.000 -0.061 0.000 1.140 467 F HN 0.588 nan 8.300 nan 0.000 0.557 468 N N 4.100 122.934 118.700 0.225 0.000 2.521 468 N HA 0.145 4.886 4.740 0.001 0.000 0.236 468 N C 0.754 176.348 175.510 0.140 0.000 1.067 468 N CA 0.061 53.216 53.050 0.175 0.000 0.939 468 N CB 0.309 38.901 38.487 0.175 0.000 1.201 468 N HN 0.693 nan 8.380 nan 0.000 0.511 469 L N 1.577 122.860 121.223 0.100 0.000 2.265 469 L HA -0.031 4.310 4.340 0.001 0.000 0.215 469 L C 1.905 178.884 176.870 0.182 0.000 1.117 469 L CA 1.084 55.910 54.840 -0.024 0.000 0.782 469 L CB -0.108 41.772 42.059 -0.298 0.000 0.914 469 L HN 0.542 nan 8.230 nan 0.000 0.441 470 G N -1.109 107.871 108.800 0.300 0.000 2.985 470 G HA2 0.144 4.105 3.960 0.001 0.000 0.209 470 G HA3 0.144 4.105 3.960 0.001 0.000 0.209 470 G C 1.203 176.301 174.900 0.330 0.000 1.165 470 G CA 0.577 45.936 45.100 0.433 0.000 0.776 470 G HN 0.404 nan 8.290 nan 0.000 0.541 471 A N 0.225 123.174 122.820 0.216 0.000 2.470 471 A HA 0.581 4.902 4.320 0.001 0.000 0.251 471 A C 0.634 178.267 177.584 0.082 0.000 1.245 471 A CA -0.323 51.807 52.037 0.156 0.000 0.932 471 A CB -0.160 18.935 19.000 0.158 0.000 1.037 471 A HN 0.535 nan 8.150 nan 0.000 0.522 472 I N -4.094 116.523 120.570 0.078 0.000 2.441 472 I HA 0.444 4.614 4.170 0.001 0.000 0.295 472 I C 0.249 176.394 176.117 0.047 0.000 0.994 472 I CA -0.832 60.484 61.300 0.026 0.000 1.144 472 I CB 1.390 39.377 38.000 -0.022 0.000 1.314 472 I HN -0.081 nan 8.210 nan 0.000 0.445 473 N N 3.944 122.650 118.700 0.011 0.000 2.300 473 N HA -0.062 4.678 4.740 0.001 0.000 0.179 473 N C -0.307 175.218 175.510 0.026 0.000 1.016 473 N CA 0.950 54.005 53.050 0.008 0.000 0.876 473 N CB -0.105 38.370 38.487 -0.020 0.000 0.979 473 N HN 0.894 nan 8.380 nan 0.000 0.432 474 N N -1.885 116.825 118.700 0.017 0.000 2.859 474 N HA 0.156 4.897 4.740 0.001 0.000 0.250 474 N C -0.009 175.504 175.510 0.006 0.000 1.341 474 N CA -0.631 52.436 53.050 0.028 0.000 0.881 474 N CB 0.810 39.301 38.487 0.006 0.000 1.516 474 N HN -0.286 nan 8.380 nan 0.000 0.503 475 L N -0.431 120.812 121.223 0.033 0.000 2.349 475 L HA -0.080 4.260 4.340 0.001 0.000 0.220 475 L C 0.631 177.539 176.870 0.064 0.000 1.130 475 L CA 1.057 55.920 54.840 0.037 0.000 0.791 475 L CB -0.368 41.743 42.059 0.087 0.000 0.918 475 L HN 0.683 nan 8.230 nan 0.000 0.444 476 D N -0.274 120.152 120.400 0.043 0.000 2.355 476 D HA -0.083 4.558 4.640 0.001 0.000 0.218 476 D C 1.812 177.964 176.300 -0.247 0.000 1.004 476 D CA 0.452 54.443 54.000 -0.015 0.000 0.880 476 D CB 0.206 41.044 40.800 0.063 0.000 0.911 476 D HN 0.415 nan 8.370 nan 0.000 0.528 477 E N 0.264 120.342 120.200 -0.203 0.000 2.268 477 E HA -0.060 4.291 4.350 0.001 0.000 0.195 477 E C 1.899 178.277 176.600 -0.369 0.000 0.995 477 E CA 0.228 56.481 56.400 -0.244 0.000 0.836 477 E CB 0.073 29.671 29.700 -0.169 0.000 0.763 477 E HN 0.313 nan 8.360 nan 0.000 0.491 478 L N 0.867 121.817 121.223 -0.454 0.000 2.456 478 L HA -0.157 4.184 4.340 0.001 0.000 0.224 478 L C 2.431 178.890 176.870 -0.685 0.000 1.148 478 L CA 0.742 55.234 54.840 -0.579 0.000 0.825 478 L CB -0.284 41.498 42.059 -0.461 0.000 0.937 478 L HN 0.171 nan 8.230 nan 0.000 0.450 479 E N 0.802 120.362 120.200 -1.066 0.000 2.028 479 E HA -0.243 4.108 4.350 0.001 0.000 0.191 479 E C 1.925 178.297 176.600 -0.379 0.000 0.988 479 E CA 1.405 57.243 56.400 -0.936 0.000 0.799 479 E CB 0.152 29.262 29.700 -0.983 0.000 0.755 479 E HN 0.434 nan 8.360 nan 0.000 0.447 480 E N 0.727 120.741 120.200 -0.310 0.000 2.058 480 E HA -0.192 4.159 4.350 0.001 0.000 0.194 480 E C 2.183 178.728 176.600 -0.091 0.000 0.997 480 E CA 1.416 57.717 56.400 -0.165 0.000 0.801 480 E CB -0.184 29.420 29.700 -0.160 0.000 0.746 480 E HN 0.308 nan 8.360 nan 0.000 0.450 481 L N 0.265 121.408 121.223 -0.133 0.000 2.046 481 L HA -0.165 4.175 4.340 0.001 0.000 0.208 481 L C 2.480 179.468 176.870 0.197 0.000 1.077 481 L CA 1.078 55.919 54.840 0.001 0.000 0.747 481 L CB -0.563 41.428 42.059 -0.114 0.000 0.896 481 L HN 0.170 nan 8.230 nan 0.000 0.432 482 A N 0.306 123.175 122.820 0.081 0.000 1.933 482 A HA -0.178 4.142 4.320 0.001 0.000 0.218 482 A C 2.229 179.908 177.584 0.158 0.000 1.175 482 A CA 1.521 53.698 52.037 0.235 0.000 0.628 482 A CB -0.646 18.427 19.000 0.122 0.000 0.814 482 A HN 0.336 nan 8.150 nan 0.000 0.444 483 I N -0.443 120.180 120.570 0.089 0.000 2.142 483 I HA -0.233 3.937 4.170 0.001 0.000 0.240 483 I C 2.232 178.460 176.117 0.185 0.000 1.078 483 I CA 0.851 62.218 61.300 0.111 0.000 1.343 483 I CB -0.260 37.797 38.000 0.095 0.000 1.046 483 I HN 0.210 nan 8.210 nan 0.000 0.405 484 L N 0.537 121.900 121.223 0.233 0.000 2.017 484 L HA -0.173 4.167 4.340 0.001 0.000 0.208 484 L C 2.775 179.889 176.870 0.408 0.000 1.073 484 L CA 2.264 57.334 54.840 0.384 0.000 0.745 484 L CB -1.945 40.357 42.059 0.405 0.000 0.894 484 L HN 0.248 nan 8.230 nan 0.000 0.432 485 A N -0.791 122.220 122.820 0.318 0.000 1.902 485 A HA -0.127 4.194 4.320 0.001 0.000 0.217 485 A C 2.447 180.087 177.584 0.093 0.000 1.181 485 A CA 1.764 53.938 52.037 0.228 0.000 0.623 485 A CB -0.731 18.343 19.000 0.123 0.000 0.818 485 A HN 0.224 nan 8.150 nan 0.000 0.443 486 V N -0.169 119.794 119.914 0.082 0.000 2.358 486 V HA -0.223 3.897 4.120 0.001 0.000 0.246 486 V C 2.616 178.687 176.094 -0.037 0.000 1.047 486 V CA 2.142 64.451 62.300 0.015 0.000 1.035 486 V CB -0.795 31.041 31.823 0.021 0.000 0.658 486 V HN 0.508 nan 8.190 nan 0.000 0.452 487 R N 0.082 120.568 120.500 -0.023 0.000 2.092 487 R HA -0.056 4.284 4.340 0.001 0.000 0.231 487 R C 2.456 178.512 176.300 -0.407 0.000 1.119 487 R CA 1.343 57.370 56.100 -0.121 0.000 0.970 487 R CB -0.565 29.713 30.300 -0.036 0.000 0.864 487 R HN 0.529 nan 8.270 nan 0.000 0.440 488 A N 1.354 123.911 122.820 -0.438 0.000 1.865 488 A HA -0.148 4.173 4.320 0.001 0.000 0.217 488 A C 2.153 179.454 177.584 -0.471 0.000 1.191 488 A CA 1.281 52.870 52.037 -0.746 0.000 0.623 488 A CB -0.606 18.017 19.000 -0.629 0.000 0.826 488 A HN 0.171 nan 8.150 nan 0.000 0.444 489 L N -0.930 120.145 121.223 -0.246 0.000 2.109 489 L HA -0.138 4.203 4.340 0.001 0.000 0.207 489 L C 2.383 179.167 176.870 -0.145 0.000 1.086 489 L CA 1.569 56.310 54.840 -0.165 0.000 0.760 489 L CB -0.726 41.280 42.059 -0.088 0.000 0.910 489 L HN 0.420 nan 8.230 nan 0.000 0.437 490 D N 0.512 120.828 120.400 -0.139 0.000 2.123 490 D HA -0.202 4.438 4.640 0.001 0.000 0.196 490 D C 2.180 178.409 176.300 -0.119 0.000 0.992 490 D CA 1.502 55.440 54.000 -0.105 0.000 0.833 490 D CB 0.158 40.905 40.800 -0.088 0.000 0.954 490 D HN 0.245 nan 8.370 nan 0.000 0.455 491 A N -0.027 122.670 122.820 -0.204 0.000 1.908 491 A HA -0.132 4.189 4.320 0.001 0.000 0.218 491 A C 2.162 179.656 177.584 -0.151 0.000 1.181 491 A CA 1.385 53.298 52.037 -0.206 0.000 0.627 491 A CB -0.967 17.807 19.000 -0.376 0.000 0.818 491 A HN 0.386 nan 8.150 nan 0.000 0.445 492 L N 0.006 121.112 121.223 -0.195 0.000 2.043 492 L HA -0.187 4.153 4.340 0.001 0.000 0.212 492 L C 2.321 179.216 176.870 0.041 0.000 1.075 492 L CA 1.776 56.554 54.840 -0.105 0.000 0.752 492 L CB -0.568 41.385 42.059 -0.176 0.000 0.891 492 L HN 0.447 nan 8.230 nan 0.000 0.432 493 L N -0.689 120.554 121.223 0.033 0.000 2.089 493 L HA -0.286 4.054 4.340 0.001 0.000 0.213 493 L C 1.978 178.966 176.870 0.196 0.000 1.079 493 L CA 1.609 56.525 54.840 0.126 0.000 0.758 493 L CB -0.841 41.264 42.059 0.078 0.000 0.891 493 L HN 0.349 nan 8.230 nan 0.000 0.433 494 D N -1.908 118.566 120.400 0.123 0.000 2.323 494 D HA -0.133 4.507 4.640 0.001 0.000 0.209 494 D C 1.760 178.166 176.300 0.176 0.000 0.973 494 D CA 0.769 54.847 54.000 0.130 0.000 0.874 494 D CB 0.179 41.015 40.800 0.059 0.000 0.930 494 D HN 0.334 nan 8.370 nan 0.000 0.521 495 Y N 1.674 121.981 120.300 0.010 0.000 2.389 495 Y HA 0.033 4.584 4.550 0.001 0.000 0.292 495 Y C 1.211 177.138 175.900 0.046 0.000 1.117 495 Y CA 0.278 58.376 58.100 -0.005 0.000 1.195 495 Y CB 0.153 38.578 38.460 -0.060 0.000 1.076 495 Y HN -0.095 nan 8.280 nan 0.000 0.548 496 Q N 0.897 120.750 119.800 0.089 0.000 2.382 496 Q HA 0.165 4.506 4.340 0.001 0.000 0.229 496 Q C -0.874 174.947 176.000 -0.298 0.000 1.006 496 Q CA -0.607 55.190 55.803 -0.009 0.000 0.916 496 Q CB 0.811 29.592 28.738 0.072 0.000 1.235 496 Q HN 0.110 nan 8.270 nan 0.000 0.512 497 D N 0.101 120.299 120.400 -0.335 0.000 2.348 497 D HA 0.286 4.927 4.640 0.001 0.000 0.249 497 D C -1.294 174.685 176.300 -0.535 0.000 1.110 497 D CA 0.042 53.854 54.000 -0.313 0.000 0.967 497 D CB 0.533 41.210 40.800 -0.205 0.000 1.139 497 D HN 0.427 nan 8.370 nan 0.000 0.466 498 Y N 0.103 120.394 120.300 -0.014 0.000 2.373 498 Y HA 0.248 4.799 4.550 0.001 0.000 0.327 498 Y C -1.552 174.317 175.900 -0.051 0.000 1.036 498 Y CA -1.344 56.764 58.100 0.012 0.000 1.265 498 Y CB 1.868 40.345 38.460 0.029 0.000 1.108 498 Y HN 0.216 nan 8.280 nan 0.000 0.471 499 P HA 0.042 nan 4.420 nan 0.000 0.225 499 P C -0.188 177.066 177.300 -0.077 0.000 1.156 499 P CA 1.156 64.166 63.100 -0.149 0.000 0.787 499 P CB 0.954 32.410 31.700 -0.406 0.000 0.802 500 I N -0.098 120.479 120.570 0.012 0.000 2.447 500 I HA 0.217 4.388 4.170 0.001 0.000 0.287 500 I C -1.838 174.341 176.117 0.104 0.000 1.023 500 I CA -2.710 58.631 61.300 0.067 0.000 1.083 500 I CB 1.823 39.903 38.000 0.135 0.000 1.245 500 I HN -0.278 nan 8.210 nan 0.000 0.434 501 P HA -0.221 nan 4.420 nan 0.000 0.215 501 P C 1.609 178.930 177.300 0.035 0.000 1.163 501 P CA 2.056 65.177 63.100 0.036 0.000 0.894 501 P CB 0.375 32.093 31.700 0.030 0.000 0.791 502 A N -0.443 122.414 122.820 0.061 0.000 1.986 502 A HA -0.195 4.126 4.320 0.001 0.000 0.220 502 A C 2.305 179.928 177.584 0.065 0.000 1.171 502 A CA 2.351 54.428 52.037 0.068 0.000 0.640 502 A CB -1.544 17.500 19.000 0.073 0.000 0.811 502 A HN 0.247 nan 8.150 nan 0.000 0.451 503 A N -0.403 122.483 122.820 0.110 0.000 1.930 503 A HA -0.047 4.273 4.320 0.001 0.000 0.215 503 A C 2.075 179.682 177.584 0.038 0.000 1.176 503 A CA 1.755 53.874 52.037 0.137 0.000 0.632 503 A CB -0.376 18.815 19.000 0.319 0.000 0.819 503 A HN 0.577 nan 8.150 nan 0.000 0.445 504 K N -0.249 120.102 120.400 -0.082 0.000 2.057 504 K HA -0.147 4.173 4.320 0.001 0.000 0.207 504 K C 2.225 178.585 176.600 -0.400 0.000 1.049 504 K CA 1.315 57.269 56.287 -0.555 0.000 0.931 504 K CB -0.217 31.998 32.500 -0.474 0.000 0.714 504 K HN 0.329 nan 8.250 nan 0.000 0.440 505 R N -0.250 120.131 120.500 -0.198 0.000 2.103 505 R HA -0.124 4.217 4.340 0.001 0.000 0.242 505 R C 2.410 178.518 176.300 -0.321 0.000 1.142 505 R CA 1.651 57.647 56.100 -0.173 0.000 0.960 505 R CB -0.617 29.713 30.300 0.051 0.000 0.858 505 R HN 0.476 nan 8.270 nan 0.000 0.439 506 G N 0.265 108.963 108.800 -0.169 0.000 2.402 506 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 506 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 506 G C 1.536 176.308 174.900 -0.214 0.000 1.162 506 G CA 0.754 45.765 45.100 -0.149 0.000 0.777 506 G HN 0.416 nan 8.290 nan 0.000 0.539 507 A N 0.524 123.234 122.820 -0.185 0.000 1.873 507 A HA 0.078 4.398 4.320 0.001 0.000 0.215 507 A C 2.415 179.866 177.584 -0.222 0.000 1.186 507 A CA 1.871 53.831 52.037 -0.127 0.000 0.616 507 A CB -0.287 18.715 19.000 0.005 0.000 0.823 507 A HN 0.289 nan 8.150 nan 0.000 0.442 508 M N -0.550 118.835 119.600 -0.357 0.000 2.254 508 M HA -0.015 4.465 4.480 0.001 0.000 0.265 508 M C 2.284 178.288 176.300 -0.494 0.000 1.066 508 M CA 1.311 56.400 55.300 -0.353 0.000 1.123 508 M CB -1.753 30.642 32.600 -0.342 0.000 1.388 508 M HN 0.463 nan 8.290 nan 0.000 0.425 509 G N 0.833 109.120 108.800 -0.854 0.000 2.404 509 G HA2 -0.174 3.786 3.960 0.001 0.000 0.215 509 G HA3 -0.174 3.786 3.960 0.001 0.000 0.215 509 G C 1.809 176.278 174.900 -0.718 0.000 1.174 509 G CA 0.392 44.542 45.100 -1.584 0.000 0.780 509 G HN 0.468 nan 8.290 nan 0.000 0.537 510 R N -1.147 119.148 120.500 -0.342 0.000 2.316 510 R HA 0.271 4.612 4.340 0.001 0.000 0.201 510 R C 0.492 176.808 176.300 0.028 0.000 0.888 510 R CA -0.302 55.809 56.100 0.017 0.000 1.041 510 R CB 0.383 30.795 30.300 0.187 0.000 1.115 510 R HN 0.101 nan 8.270 nan 0.000 0.559 511 R N 2.106 122.577 120.500 -0.048 0.000 3.333 511 R HA -0.113 4.227 4.340 0.001 0.000 0.256 511 R C -0.577 175.741 176.300 0.029 0.000 1.010 511 R CA 1.036 57.125 56.100 -0.019 0.000 0.680 511 R CB -2.239 28.042 30.300 -0.033 0.000 1.102 511 R HN 0.431 nan 8.270 nan 0.000 0.440 512 T N -1.295 113.294 114.554 0.058 0.000 2.851 512 T HA 0.578 4.929 4.350 0.001 0.000 0.298 512 T C 0.727 175.460 174.700 0.054 0.000 0.977 512 T CA -0.662 61.492 62.100 0.089 0.000 1.126 512 T CB 1.522 70.472 68.868 0.137 0.000 0.916 512 T HN 0.233 nan 8.240 nan 0.000 0.529 513 L N 1.843 123.094 121.223 0.046 0.000 2.301 513 L HA 0.840 5.181 4.340 0.001 0.000 0.264 513 L C 0.530 177.417 176.870 0.028 0.000 1.016 513 L CA -1.389 53.464 54.840 0.022 0.000 0.821 513 L CB 2.295 44.354 42.059 0.001 0.000 1.346 513 L HN 0.952 nan 8.230 nan 0.000 0.429 514 G N 1.732 110.537 108.800 0.008 0.000 2.824 514 G HA2 0.606 4.566 3.960 0.001 0.000 0.288 514 G HA3 0.606 4.566 3.960 0.001 0.000 0.288 514 G C -1.123 173.760 174.900 -0.028 0.000 1.554 514 G CA -0.165 44.940 45.100 0.009 0.000 1.107 514 G HN 0.335 nan 8.290 nan 0.000 0.566 515 I N 2.308 122.848 120.570 -0.049 0.000 2.354 515 I HA 0.633 4.803 4.170 0.001 0.000 0.292 515 I C 0.933 176.988 176.117 -0.104 0.000 0.989 515 I CA -0.502 60.706 61.300 -0.154 0.000 1.188 515 I CB 2.111 39.939 38.000 -0.286 0.000 1.342 515 I HN 0.477 nan 8.210 nan 0.000 0.457 516 G N 4.905 113.636 108.800 -0.115 0.000 3.217 516 G HA2 0.777 4.737 3.960 0.001 0.000 0.213 516 G HA3 0.777 4.737 3.960 0.001 0.000 0.213 516 G C -0.769 174.143 174.900 0.020 0.000 1.294 516 G CA -0.460 44.640 45.100 0.000 0.000 0.987 516 G HN 0.520 nan 8.290 nan 0.000 0.584 517 V N -1.783 118.190 119.914 0.098 0.000 3.001 517 V HA 0.885 5.005 4.120 0.001 0.000 0.314 517 V C -0.345 175.835 176.094 0.144 0.000 1.099 517 V CA -1.014 61.361 62.300 0.126 0.000 0.989 517 V CB 1.451 33.353 31.823 0.132 0.000 1.040 517 V HN 1.140 nan 8.190 nan 0.000 0.434 518 I N -1.073 119.598 120.570 0.169 0.000 3.074 518 I HA 0.737 4.907 4.170 0.001 0.000 0.310 518 I C 0.158 176.428 176.117 0.254 0.000 1.153 518 I CA -0.759 60.661 61.300 0.201 0.000 0.993 518 I CB 2.310 40.407 38.000 0.161 0.000 1.237 518 I HN 0.709 nan 8.210 nan 0.000 0.443 519 N N 0.843 119.726 118.700 0.304 0.000 2.829 519 N HA -0.246 4.495 4.740 0.001 0.000 0.250 519 N C 0.193 175.975 175.510 0.454 0.000 1.090 519 N CA 1.151 54.431 53.050 0.382 0.000 0.781 519 N CB -1.168 37.546 38.487 0.378 0.000 1.124 519 N HN 0.865 nan 8.380 nan 0.000 0.559 520 F N 1.038 121.161 119.950 0.288 0.000 2.069 520 F HA -0.089 4.438 4.527 0.001 0.000 0.298 520 F C 2.210 178.230 175.800 0.367 0.000 1.113 520 F CA 2.343 60.524 58.000 0.303 0.000 1.214 520 F CB -0.682 38.505 39.000 0.312 0.000 0.978 520 F HN 0.201 nan 8.300 nan 0.000 0.474 521 A N -0.928 122.132 122.820 0.399 0.000 1.933 521 A HA -0.243 4.077 4.320 0.001 0.000 0.218 521 A C 2.134 179.880 177.584 0.270 0.000 1.175 521 A CA 1.642 53.891 52.037 0.354 0.000 0.628 521 A CB -1.619 17.750 19.000 0.614 0.000 0.814 521 A HN 0.621 nan 8.150 nan 0.000 0.444 522 Y N -1.082 119.376 120.300 0.262 0.000 2.145 522 Y HA -0.258 4.292 4.550 0.001 0.000 0.286 522 Y C 2.156 178.080 175.900 0.041 0.000 1.145 522 Y CA 1.694 59.882 58.100 0.146 0.000 1.148 522 Y CB -1.014 37.614 38.460 0.280 0.000 0.981 522 Y HN 0.417 nan 8.280 nan 0.000 0.507 523 Y N 0.511 120.704 120.300 -0.178 0.000 2.069 523 Y HA -0.352 4.198 4.550 0.001 0.000 0.278 523 Y C 2.269 178.031 175.900 -0.230 0.000 1.175 523 Y CA 2.433 60.401 58.100 -0.220 0.000 1.134 523 Y CB -0.736 37.685 38.460 -0.065 0.000 0.965 523 Y HN 0.208 nan 8.280 nan 0.000 0.498 524 L N -0.713 120.308 121.223 -0.336 0.000 2.046 524 L HA -0.240 4.100 4.340 0.001 0.000 0.208 524 L C 2.796 179.461 176.870 -0.341 0.000 1.077 524 L CA 1.172 55.748 54.840 -0.440 0.000 0.747 524 L CB -1.120 40.584 42.059 -0.590 0.000 0.896 524 L HN 0.371 nan 8.230 nan 0.000 0.432 525 A N 1.199 123.812 122.820 -0.344 0.000 1.908 525 A HA -0.238 4.082 4.320 0.001 0.000 0.218 525 A C 2.263 179.619 177.584 -0.379 0.000 1.181 525 A CA 2.111 53.912 52.037 -0.393 0.000 0.627 525 A CB -0.477 18.095 19.000 -0.714 0.000 0.818 525 A HN 0.548 nan 8.150 nan 0.000 0.445 526 K N -1.390 118.731 120.400 -0.465 0.000 2.486 526 K HA -0.046 4.275 4.320 0.001 0.000 0.194 526 K C 0.716 177.002 176.600 -0.522 0.000 1.033 526 K CA 1.288 57.290 56.287 -0.476 0.000 1.004 526 K CB -0.309 31.841 32.500 -0.583 0.000 0.798 526 K HN 0.571 nan 8.250 nan 0.000 0.495 527 H N 0.371 119.181 119.070 -0.433 0.000 2.529 527 H HA 0.212 4.768 4.556 0.001 0.000 0.277 527 H C 0.492 175.655 175.328 -0.275 0.000 1.004 527 H CA 0.535 56.360 56.048 -0.372 0.000 1.167 527 H CB 0.928 30.400 29.762 -0.483 0.000 1.445 527 H HN 0.521 nan 8.280 nan 0.000 0.554 528 G N 1.376 110.066 108.800 -0.183 0.000 2.246 528 G HA2 -0.273 3.688 3.960 0.001 0.000 0.273 528 G HA3 -0.273 3.688 3.960 0.001 0.000 0.273 528 G C -0.116 174.712 174.900 -0.120 0.000 1.055 528 G CA 0.118 45.131 45.100 -0.146 0.000 0.851 528 G HN 0.237 nan 8.290 nan 0.000 0.500 529 K N -0.735 119.577 120.400 -0.147 0.000 2.346 529 K HA 0.755 5.075 4.320 0.001 0.000 0.238 529 K C 0.466 176.988 176.600 -0.131 0.000 1.039 529 K CA -0.835 55.371 56.287 -0.133 0.000 0.861 529 K CB 1.713 34.115 32.500 -0.164 0.000 1.278 529 K HN 0.348 nan 8.250 nan 0.000 0.460 530 R N -0.140 120.303 120.500 -0.095 0.000 2.836 530 R HA 0.334 4.674 4.340 0.001 0.000 0.269 530 R C 0.663 176.947 176.300 -0.026 0.000 1.010 530 R CA -0.761 55.323 56.100 -0.026 0.000 0.930 530 R CB 0.455 30.789 30.300 0.056 0.000 1.218 530 R HN 0.537 nan 8.270 nan 0.000 0.473 531 Y N 0.423 120.769 120.300 0.077 0.000 2.286 531 Y HA -0.168 4.382 4.550 0.001 0.000 0.293 531 Y C 2.552 178.522 175.900 0.115 0.000 1.124 531 Y CA 2.017 60.198 58.100 0.135 0.000 1.178 531 Y CB 0.278 38.852 38.460 0.190 0.000 1.010 531 Y HN 0.641 nan 8.280 nan 0.000 0.536 532 S N -1.048 114.798 115.700 0.243 0.000 2.503 532 S HA -0.055 4.416 4.470 0.001 0.000 0.217 532 S C 0.962 175.630 174.600 0.113 0.000 0.999 532 S CA 0.661 58.964 58.200 0.171 0.000 0.914 532 S CB -0.166 63.117 63.200 0.138 0.000 0.782 532 S HN 0.513 nan 8.310 nan 0.000 0.520 533 D N 0.055 120.507 120.400 0.087 0.000 2.402 533 D HA 0.306 4.947 4.640 0.001 0.000 0.216 533 D C 1.325 177.646 176.300 0.035 0.000 1.128 533 D CA 0.312 54.345 54.000 0.056 0.000 0.833 533 D CB -0.447 40.379 40.800 0.044 0.000 0.971 533 D HN 0.456 nan 8.370 nan 0.000 0.503 534 G N 0.869 109.689 108.800 0.034 0.000 2.175 534 G HA2 -0.389 3.572 3.960 0.001 0.000 0.265 534 G HA3 -0.389 3.572 3.960 0.001 0.000 0.265 534 G C 1.193 176.089 174.900 -0.006 0.000 0.979 534 G CA 0.992 46.096 45.100 0.005 0.000 0.663 534 G HN 0.688 nan 8.290 nan 0.000 0.533 535 S N -1.085 114.612 115.700 -0.006 0.000 2.515 535 S HA 0.445 4.916 4.470 0.001 0.000 0.231 535 S C 2.138 176.717 174.600 -0.036 0.000 0.987 535 S CA 1.146 59.333 58.200 -0.022 0.000 0.936 535 S CB 0.158 63.343 63.200 -0.024 0.000 0.766 535 S HN 1.640 nan 8.310 nan 0.000 0.528 536 A N 1.155 123.954 122.820 -0.035 0.000 2.308 536 A HA 0.329 4.649 4.320 0.001 0.000 0.217 536 A C 1.700 179.300 177.584 0.027 0.000 1.216 536 A CA 0.016 52.032 52.037 -0.035 0.000 0.864 536 A CB -0.402 18.546 19.000 -0.087 0.000 0.902 536 A HN 0.429 nan 8.150 nan 0.000 0.499 537 N N 1.773 120.481 118.700 0.012 0.000 2.021 537 N HA -0.183 4.557 4.740 0.001 0.000 0.198 537 N C 1.331 176.881 175.510 0.067 0.000 1.041 537 N CA 1.954 55.015 53.050 0.019 0.000 0.862 537 N CB -0.314 38.154 38.487 -0.031 0.000 1.048 537 N HN 0.458 nan 8.380 nan 0.000 0.427 538 N N 0.226 118.948 118.700 0.037 0.000 2.216 538 N HA -0.073 4.668 4.740 0.001 0.000 0.183 538 N C 1.703 177.282 175.510 0.115 0.000 1.017 538 N CA 0.286 53.368 53.050 0.053 0.000 0.861 538 N CB -0.443 38.042 38.487 -0.004 0.000 0.986 538 N HN 0.183 nan 8.380 nan 0.000 0.428 539 L N 1.368 122.636 121.223 0.075 0.000 2.046 539 L HA -0.077 4.263 4.340 0.001 0.000 0.208 539 L C 1.862 178.859 176.870 0.211 0.000 1.077 539 L CA 1.734 56.615 54.840 0.069 0.000 0.747 539 L CB -1.202 40.827 42.059 -0.050 0.000 0.896 539 L HN 0.069 nan 8.230 nan 0.000 0.432 540 T N -1.275 113.450 114.554 0.285 0.000 2.746 540 T HA -0.229 4.121 4.350 0.001 0.000 0.267 540 T C 1.854 176.819 174.700 0.442 0.000 1.039 540 T CA 1.531 63.902 62.100 0.452 0.000 1.142 540 T CB -0.553 68.532 68.868 0.363 0.000 0.866 540 T HN 0.508 nan 8.240 nan 0.000 0.444 541 H N 1.670 120.881 119.070 0.235 0.000 2.321 541 H HA -0.004 4.552 4.556 0.001 0.000 0.300 541 H C 2.421 177.861 175.328 0.187 0.000 1.087 541 H CA 1.858 58.063 56.048 0.262 0.000 1.319 541 H CB -0.177 29.685 29.762 0.168 0.000 1.379 541 H HN 0.324 nan 8.280 nan 0.000 0.501 542 K N -0.288 120.327 120.400 0.358 0.000 2.063 542 K HA -0.113 4.208 4.320 0.001 0.000 0.208 542 K C 2.110 178.765 176.600 0.092 0.000 1.048 542 K CA 1.858 58.297 56.287 0.253 0.000 0.928 542 K CB 0.030 32.645 32.500 0.191 0.000 0.713 542 K HN 0.218 nan 8.250 nan 0.000 0.442 543 T N 0.266 114.868 114.554 0.081 0.000 2.777 543 T HA -0.079 4.271 4.350 0.001 0.000 0.266 543 T C 1.437 175.950 174.700 -0.311 0.000 1.040 543 T CA 1.381 63.426 62.100 -0.092 0.000 1.141 543 T CB -0.225 68.592 68.868 -0.085 0.000 0.868 543 T HN 0.181 nan 8.240 nan 0.000 0.444 544 F N 1.044 120.881 119.950 -0.189 0.000 2.512 544 F HA 0.181 4.708 4.527 0.001 0.000 0.296 544 F C 2.461 177.816 175.800 -0.742 0.000 1.110 544 F CA 0.261 58.095 58.000 -0.277 0.000 1.446 544 F CB -0.130 38.831 39.000 -0.064 0.000 1.092 544 F HN 0.129 nan 8.300 nan 0.000 0.554 545 E N 0.864 120.399 120.200 -1.108 0.000 2.038 545 E HA -0.255 4.095 4.350 0.001 0.000 0.195 545 E C 2.409 178.867 176.600 -0.237 0.000 1.000 545 E CA 1.277 57.077 56.400 -1.000 0.000 0.803 545 E CB -0.156 29.269 29.700 -0.459 0.000 0.750 545 E HN 0.328 nan 8.360 nan 0.000 0.448 546 A N 1.084 123.824 122.820 -0.134 0.000 1.908 546 A HA -0.185 4.136 4.320 0.001 0.000 0.218 546 A C 2.210 179.693 177.584 -0.169 0.000 1.181 546 A CA 1.426 53.367 52.037 -0.160 0.000 0.627 546 A CB -0.643 18.381 19.000 0.041 0.000 0.818 546 A HN 0.308 nan 8.150 nan 0.000 0.445 547 I N -1.124 119.349 120.570 -0.161 0.000 2.142 547 I HA -0.275 3.895 4.170 0.001 0.000 0.240 547 I C 2.790 178.937 176.117 0.050 0.000 1.078 547 I CA 1.861 63.117 61.300 -0.074 0.000 1.343 547 I CB -0.260 37.681 38.000 -0.099 0.000 1.046 547 I HN 0.375 nan 8.210 nan 0.000 0.405 548 Q N 0.145 119.999 119.800 0.090 0.000 2.119 548 Q HA -0.246 4.094 4.340 0.001 0.000 0.201 548 Q C 2.050 178.090 176.000 0.067 0.000 0.972 548 Q CA 1.738 57.665 55.803 0.207 0.000 0.847 548 Q CB -0.514 28.499 28.738 0.458 0.000 0.903 548 Q HN 0.545 nan 8.270 nan 0.000 0.433 549 Y N -0.524 119.621 120.300 -0.258 0.000 2.089 549 Y HA -0.296 4.255 4.550 0.001 0.000 0.282 549 Y C 1.563 177.130 175.900 -0.556 0.000 1.139 549 Y CA 2.070 59.748 58.100 -0.703 0.000 1.123 549 Y CB -0.559 37.220 38.460 -1.134 0.000 0.980 549 Y HN 0.181 nan 8.280 nan 0.000 0.493 550 Y N -0.013 120.080 120.300 -0.345 0.000 2.333 550 Y HA -0.206 4.344 4.550 0.001 0.000 0.290 550 Y C 2.386 178.136 175.900 -0.250 0.000 1.144 550 Y CA 1.264 59.151 58.100 -0.354 0.000 1.228 550 Y CB -0.739 37.567 38.460 -0.258 0.000 0.985 550 Y HN 0.199 nan 8.280 nan 0.000 0.542 551 L N -1.120 120.099 121.223 -0.007 0.000 2.027 551 L HA -0.217 4.123 4.340 0.001 0.000 0.206 551 L C 2.245 179.066 176.870 -0.081 0.000 1.074 551 L CA 1.091 55.949 54.840 0.031 0.000 0.745 551 L CB -0.642 41.487 42.059 0.117 0.000 0.898 551 L HN 0.215 nan 8.230 nan 0.000 0.433 552 L N -0.172 120.955 121.223 -0.159 0.000 2.042 552 L HA -0.268 4.072 4.340 0.001 0.000 0.210 552 L C 2.664 179.361 176.870 -0.289 0.000 1.076 552 L CA 1.398 56.098 54.840 -0.235 0.000 0.749 552 L CB -0.495 41.424 42.059 -0.234 0.000 0.893 552 L HN 0.260 nan 8.230 nan 0.000 0.432 553 K N 0.344 120.498 120.400 -0.411 0.000 2.009 553 K HA -0.213 4.107 4.320 0.001 0.000 0.210 553 K C 2.152 178.629 176.600 -0.206 0.000 1.049 553 K CA 1.570 57.623 56.287 -0.389 0.000 0.929 553 K CB -0.175 31.998 32.500 -0.544 0.000 0.714 553 K HN 0.255 nan 8.250 nan 0.000 0.440 554 A N 0.155 122.895 122.820 -0.134 0.000 1.908 554 A HA -0.178 4.142 4.320 0.001 0.000 0.218 554 A C 2.220 179.760 177.584 -0.073 0.000 1.181 554 A CA 2.226 54.225 52.037 -0.064 0.000 0.627 554 A CB -0.941 18.056 19.000 -0.006 0.000 0.818 554 A HN 0.443 nan 8.150 nan 0.000 0.445 555 S N -0.552 115.089 115.700 -0.098 0.000 2.406 555 S HA -0.155 4.315 4.470 0.001 0.000 0.228 555 S C 1.997 176.510 174.600 -0.144 0.000 1.020 555 S CA 1.245 59.379 58.200 -0.110 0.000 0.965 555 S CB -0.640 62.487 63.200 -0.120 0.000 0.798 555 S HN 0.744 nan 8.310 nan 0.000 0.488 556 N N 0.277 118.877 118.700 -0.166 0.000 2.043 556 N HA -0.145 4.595 4.740 0.001 0.000 0.193 556 N C 1.544 176.962 175.510 -0.153 0.000 1.037 556 N CA 1.429 54.379 53.050 -0.167 0.000 0.851 556 N CB -0.124 38.264 38.487 -0.166 0.000 1.027 556 N HN 0.393 nan 8.380 nan 0.000 0.422 557 E N 0.923 121.039 120.200 -0.140 0.000 2.118 557 E HA -0.196 4.155 4.350 0.001 0.000 0.195 557 E C 2.055 178.597 176.600 -0.097 0.000 0.992 557 E CA 0.597 56.924 56.400 -0.123 0.000 0.804 557 E CB -0.428 29.222 29.700 -0.084 0.000 0.741 557 E HN 0.382 nan 8.360 nan 0.000 0.458 558 L N 0.944 122.117 121.223 -0.082 0.000 2.093 558 L HA -0.041 4.299 4.340 0.001 0.000 0.208 558 L C 2.218 179.030 176.870 -0.097 0.000 1.085 558 L CA 1.797 56.595 54.840 -0.071 0.000 0.755 558 L CB -0.657 41.368 42.059 -0.056 0.000 0.904 558 L HN 0.031 nan 8.230 nan 0.000 0.435 559 A N -0.489 122.258 122.820 -0.121 0.000 1.908 559 A HA -0.239 4.081 4.320 0.001 0.000 0.218 559 A C 2.312 179.834 177.584 -0.103 0.000 1.181 559 A CA 1.962 53.918 52.037 -0.135 0.000 0.627 559 A CB -0.488 18.394 19.000 -0.197 0.000 0.818 559 A HN 0.510 nan 8.150 nan 0.000 0.445 560 K N -0.696 119.637 120.400 -0.111 0.000 2.009 560 K HA -0.210 4.111 4.320 0.001 0.000 0.210 560 K C 2.176 178.727 176.600 -0.081 0.000 1.049 560 K CA 1.685 57.907 56.287 -0.108 0.000 0.929 560 K CB -0.208 32.169 32.500 -0.206 0.000 0.714 560 K HN 0.702 nan 8.250 nan 0.000 0.440 561 E N 0.586 120.734 120.200 -0.086 0.000 2.106 561 E HA -0.189 4.162 4.350 0.001 0.000 0.192 561 E C 1.462 178.008 176.600 -0.089 0.000 0.984 561 E CA 1.187 57.540 56.400 -0.078 0.000 0.806 561 E CB 0.335 29.992 29.700 -0.071 0.000 0.750 561 E HN 0.312 nan 8.360 nan 0.000 0.458 562 Q N -1.318 118.426 119.800 -0.094 0.000 2.126 562 Q HA 0.237 4.578 4.340 0.001 0.000 0.233 562 Q C -0.296 175.655 176.000 -0.083 0.000 0.788 562 Q CA 0.292 56.035 55.803 -0.101 0.000 0.968 562 Q CB 2.292 30.955 28.738 -0.125 0.000 1.163 562 Q HN 0.248 nan 8.270 nan 0.000 0.471 563 G N 1.576 110.329 108.800 -0.078 0.000 2.911 563 G HA2 0.055 4.015 3.960 0.001 0.000 0.686 563 G HA3 0.055 4.015 3.960 0.001 0.000 0.686 563 G C -0.432 174.412 174.900 -0.093 0.000 1.136 563 G CA -0.478 44.579 45.100 -0.070 0.000 0.764 563 G HN 0.297 nan 8.290 nan 0.000 0.626 564 A N 1.226 123.976 122.820 -0.117 0.000 2.366 564 A HA 0.671 4.992 4.320 0.001 0.000 0.250 564 A C 1.614 179.158 177.584 -0.067 0.000 1.099 564 A CA 0.556 52.489 52.037 -0.175 0.000 0.794 564 A CB -0.167 18.628 19.000 -0.341 0.000 1.056 564 A HN 2.570 nan 8.150 nan 0.000 0.499 565 C N -0.577 118.712 119.300 -0.018 0.000 2.605 565 C HA 0.484 4.944 4.460 0.001 0.000 0.404 565 C C -1.124 173.929 174.990 0.106 0.000 1.284 565 C CA -1.168 57.867 59.018 0.028 0.000 2.199 565 C CB 0.074 27.841 27.740 0.044 0.000 2.647 565 C HN 0.667 nan 8.230 nan 0.000 0.604 566 P HA -0.122 nan 4.420 nan 0.000 0.216 566 P C 0.589 178.127 177.300 0.396 0.000 1.154 566 P CA 1.892 65.072 63.100 0.133 0.000 0.865 566 P CB -0.080 31.601 31.700 -0.033 0.000 0.789 567 W N -1.957 119.413 121.300 0.117 0.000 3.213 567 W HA 0.336 4.997 4.660 0.001 0.000 0.430 567 W C 1.241 177.858 176.519 0.163 0.000 0.975 567 W CA -1.397 56.020 57.345 0.120 0.000 2.015 567 W CB -1.829 27.690 29.460 0.097 0.000 1.047 567 W HN -0.060 nan 8.180 nan 0.000 0.797 568 F N 3.110 123.200 119.950 0.233 0.000 2.202 568 F HA -0.263 4.264 4.527 0.001 0.000 0.301 568 F C 2.164 178.051 175.800 0.145 0.000 1.082 568 F CA 1.985 60.079 58.000 0.157 0.000 1.313 568 F CB -0.300 38.756 39.000 0.094 0.000 1.024 568 F HN -0.017 nan 8.300 nan 0.000 0.495 569 N N 0.599 119.336 118.700 0.061 0.000 2.585 569 N HA -0.199 4.541 4.740 0.001 0.000 0.188 569 N C 0.908 176.366 175.510 -0.087 0.000 1.102 569 N CA 1.358 54.376 53.050 -0.053 0.000 0.920 569 N CB -0.697 37.822 38.487 0.052 0.000 0.963 569 N HN 0.549 nan 8.380 nan 0.000 0.447 570 E N 0.356 120.540 120.200 -0.027 0.000 2.474 570 E HA 0.005 4.355 4.350 0.001 0.000 0.195 570 E C 0.250 176.855 176.600 0.009 0.000 1.039 570 E CA 0.098 56.512 56.400 0.023 0.000 0.881 570 E CB 0.405 30.172 29.700 0.112 0.000 0.970 570 E HN 0.506 nan 8.360 nan 0.000 0.486 571 T N -1.294 113.161 114.554 -0.166 0.000 2.899 571 T HA 0.090 4.440 4.350 0.001 0.000 0.284 571 T C 1.533 176.082 174.700 -0.252 0.000 1.004 571 T CA -0.260 61.691 62.100 -0.248 0.000 1.043 571 T CB 1.580 70.266 68.868 -0.304 0.000 1.013 571 T HN -0.024 nan 8.240 nan 0.000 0.518 572 T N -1.140 113.251 114.554 -0.271 0.000 2.915 572 T HA -0.111 4.239 4.350 0.001 0.000 0.269 572 T C 1.439 176.001 174.700 -0.230 0.000 1.071 572 T CA 0.752 62.702 62.100 -0.250 0.000 1.132 572 T CB -0.865 67.823 68.868 -0.300 0.000 0.878 572 T HN 0.640 nan 8.240 nan 0.000 0.479 573 Y N 2.322 122.525 120.300 -0.162 0.000 2.165 573 Y HA 0.103 4.653 4.550 0.001 0.000 0.286 573 Y C 3.011 178.864 175.900 -0.077 0.000 1.155 573 Y CA 0.520 58.589 58.100 -0.053 0.000 1.164 573 Y CB -1.058 37.441 38.460 0.066 0.000 0.978 573 Y HN 0.333 nan 8.280 nan 0.000 0.513 574 A N -0.196 122.439 122.820 -0.308 0.000 2.125 574 A HA -0.157 4.163 4.320 0.001 0.000 0.219 574 A C 1.832 179.391 177.584 -0.040 0.000 1.156 574 A CA 1.352 53.198 52.037 -0.317 0.000 0.671 574 A CB -0.454 18.143 19.000 -0.671 0.000 0.794 574 A HN 0.399 nan 8.150 nan 0.000 0.459 575 K N -1.252 119.119 120.400 -0.048 0.000 2.493 575 K HA 0.281 4.601 4.320 0.001 0.000 0.207 575 K C 0.878 177.493 176.600 0.025 0.000 1.033 575 K CA 0.345 56.625 56.287 -0.011 0.000 1.161 575 K CB -0.002 32.473 32.500 -0.041 0.000 0.873 575 K HN 0.545 nan 8.250 nan 0.000 0.491 576 G N 1.847 110.693 108.800 0.076 0.000 2.166 576 G HA2 -0.278 3.682 3.960 0.001 0.000 0.260 576 G HA3 -0.278 3.682 3.960 0.001 0.000 0.260 576 G C 0.115 175.066 174.900 0.084 0.000 0.986 576 G CA 0.106 45.269 45.100 0.105 0.000 0.683 576 G HN 0.320 nan 8.290 nan 0.000 0.527 577 I N 0.791 121.377 120.570 0.026 0.000 2.331 577 I HA 0.499 4.670 4.170 0.001 0.000 0.292 577 I C 0.699 176.769 176.117 -0.079 0.000 0.998 577 I CA -0.708 60.574 61.300 -0.030 0.000 1.267 577 I CB 1.114 39.063 38.000 -0.086 0.000 1.386 577 I HN -0.040 nan 8.210 nan 0.000 0.476 578 L N 7.827 129.050 121.223 -0.000 0.000 2.322 578 L HA 0.460 4.801 4.340 0.001 0.000 0.269 578 L C -1.381 175.480 176.870 -0.015 0.000 1.012 578 L CA -1.639 53.237 54.840 0.061 0.000 0.815 578 L CB 1.573 43.791 42.059 0.266 0.000 1.295 578 L HN 0.338 nan 8.230 nan 0.000 0.438 579 P HA -0.192 nan 4.420 nan 0.000 0.217 579 P C 1.396 178.733 177.300 0.061 0.000 1.148 579 P CA 1.545 64.681 63.100 0.061 0.000 0.828 579 P CB -0.066 31.691 31.700 0.096 0.000 0.783 580 I N -3.283 117.207 120.570 -0.133 0.000 3.083 580 I HA -0.070 4.100 4.170 0.001 0.000 0.273 580 I C 0.920 177.055 176.117 0.030 0.000 1.297 580 I CA 1.339 62.546 61.300 -0.156 0.000 1.452 580 I CB -0.717 37.007 38.000 -0.460 0.000 1.078 580 I HN -0.219 nan 8.210 nan 0.000 0.484 581 D N 1.137 121.527 120.400 -0.018 0.000 2.338 581 D HA -0.032 4.608 4.640 0.001 0.000 0.208 581 D C 1.991 178.182 176.300 -0.181 0.000 0.997 581 D CA 1.590 55.541 54.000 -0.082 0.000 0.880 581 D CB 0.174 40.941 40.800 -0.054 0.000 0.980 581 D HN 0.562 nan 8.370 nan 0.000 0.509 582 T N -1.749 112.743 114.554 -0.104 0.000 3.044 582 T HA 0.085 4.436 4.350 0.001 0.000 0.260 582 T C 0.813 175.341 174.700 -0.287 0.000 1.019 582 T CA -0.682 61.352 62.100 -0.110 0.000 0.921 582 T CB -0.646 68.265 68.868 0.071 0.000 1.053 582 T HN 0.115 nan 8.240 nan 0.000 0.533 583 Y N 1.385 121.410 120.300 -0.458 0.000 2.385 583 Y HA 0.592 5.143 4.550 0.001 0.000 0.346 583 Y C 0.441 176.044 175.900 -0.495 0.000 1.270 583 Y CA -1.938 55.672 58.100 -0.816 0.000 1.472 583 Y CB 0.415 38.468 38.460 -0.678 0.000 1.354 583 Y HN -0.188 nan 8.280 nan 0.000 0.611 584 K N 2.216 122.423 120.400 -0.322 0.000 2.402 584 K HA 0.057 4.377 4.320 0.001 0.000 0.285 584 K C 0.478 177.038 176.600 -0.067 0.000 1.054 584 K CA 0.046 56.177 56.287 -0.259 0.000 1.001 584 K CB 0.651 32.957 32.500 -0.323 0.000 0.946 584 K HN 0.683 nan 8.250 nan 0.000 0.473 585 K N 2.439 122.730 120.400 -0.180 0.000 2.152 585 K HA -0.139 4.181 4.320 0.001 0.000 0.206 585 K C 0.638 177.278 176.600 0.066 0.000 1.048 585 K CA 1.535 57.764 56.287 -0.096 0.000 0.933 585 K CB -0.035 32.378 32.500 -0.144 0.000 0.721 585 K HN 0.689 nan 8.250 nan 0.000 0.447 586 D N 0.231 120.662 120.400 0.051 0.000 2.265 586 D HA -0.168 4.472 4.640 0.001 0.000 0.208 586 D C 1.588 178.031 176.300 0.237 0.000 0.977 586 D CA 0.795 54.868 54.000 0.121 0.000 0.871 586 D CB 0.049 40.881 40.800 0.052 0.000 0.925 586 D HN 0.230 nan 8.370 nan 0.000 0.485 587 L N 0.900 122.244 121.223 0.203 0.000 2.191 587 L HA -0.170 4.171 4.340 0.001 0.000 0.212 587 L C 1.874 178.766 176.870 0.037 0.000 1.103 587 L CA 0.739 55.632 54.840 0.088 0.000 0.769 587 L CB -0.271 41.769 42.059 -0.033 0.000 0.908 587 L HN -0.121 nan 8.230 nan 0.000 0.438 588 D N -0.456 120.004 120.400 0.099 0.000 2.221 588 D HA -0.163 4.478 4.640 0.001 0.000 0.204 588 D C 2.180 178.493 176.300 0.022 0.000 0.982 588 D CA 1.881 55.912 54.000 0.052 0.000 0.857 588 D CB -0.067 40.784 40.800 0.085 0.000 0.934 588 D HN 0.411 nan 8.370 nan 0.000 0.475 589 T N -1.640 112.948 114.554 0.056 0.000 3.100 589 T HA 0.031 4.382 4.350 0.001 0.000 0.253 589 T C 1.823 176.539 174.700 0.028 0.000 1.118 589 T CA 0.098 62.231 62.100 0.055 0.000 1.058 589 T CB -0.311 68.617 68.868 0.100 0.000 0.953 589 T HN 0.374 nan 8.240 nan 0.000 0.515 590 I N -2.205 118.351 120.570 -0.023 0.000 4.227 590 I HA 0.761 4.931 4.170 0.001 0.000 0.334 590 I C 0.450 176.504 176.117 -0.105 0.000 1.341 590 I CA -1.061 60.180 61.300 -0.099 0.000 1.123 590 I CB 0.419 38.251 38.000 -0.280 0.000 1.097 590 I HN 0.229 nan 8.210 nan 0.000 0.399 591 A N 2.355 125.117 122.820 -0.096 0.000 2.572 591 A HA 0.676 4.996 4.320 0.001 0.000 0.295 591 A C -0.821 176.673 177.584 -0.151 0.000 1.072 591 A CA -0.518 51.450 52.037 -0.116 0.000 0.691 591 A CB 1.077 20.011 19.000 -0.111 0.000 1.291 591 A HN 0.333 nan 8.150 nan 0.000 0.404 592 N N 0.240 118.838 118.700 -0.171 0.000 2.305 592 N HA 0.160 4.900 4.740 0.001 0.000 0.248 592 N C -0.466 174.913 175.510 -0.218 0.000 1.290 592 N CA -0.227 52.721 53.050 -0.170 0.000 0.873 592 N CB 0.394 38.822 38.487 -0.098 0.000 1.261 592 N HN 0.645 nan 8.380 nan 0.000 0.504 593 E N 2.722 122.721 120.200 -0.336 0.000 2.344 593 E HA 0.242 4.593 4.350 0.001 0.000 0.270 593 E C -2.105 174.281 176.600 -0.357 0.000 1.021 593 E CA -1.479 54.742 56.400 -0.299 0.000 0.887 593 E CB 0.886 30.444 29.700 -0.238 0.000 0.997 593 E HN 0.228 nan 8.360 nan 0.000 0.429 594 P HA 0.112 nan 4.420 nan 0.000 0.276 594 P C -0.617 176.473 177.300 -0.351 0.000 1.252 594 P CA -0.359 62.569 63.100 -0.288 0.000 0.802 594 P CB 0.666 32.186 31.700 -0.300 0.000 1.035 595 L N 2.471 123.603 121.223 -0.151 0.000 2.410 595 L HA 0.091 4.432 4.340 0.001 0.000 0.273 595 L C 1.751 178.485 176.870 -0.227 0.000 1.152 595 L CA -0.112 54.718 54.840 -0.017 0.000 0.855 595 L CB -0.159 41.981 42.059 0.135 0.000 1.129 595 L HN 0.467 nan 8.230 nan 0.000 0.463 596 H N 2.290 121.321 119.070 -0.064 0.000 2.586 596 H HA 0.174 4.731 4.556 0.001 0.000 0.273 596 H C -0.611 174.352 175.328 -0.608 0.000 0.997 596 H CA 0.195 56.022 56.048 -0.369 0.000 1.177 596 H CB 0.387 29.820 29.762 -0.547 0.000 1.471 596 H HN 0.410 nan 8.280 nan 0.000 0.538 597 Y N 0.261 120.517 120.300 -0.074 0.000 2.562 597 Y HA 0.180 4.730 4.550 0.001 0.000 0.343 597 Y C 0.403 176.151 175.900 -0.253 0.000 1.025 597 Y CA -1.408 56.416 58.100 -0.460 0.000 1.082 597 Y CB 1.178 38.834 38.460 -1.339 0.000 1.264 597 Y HN -0.140 nan 8.280 nan 0.000 0.478 598 D N 1.380 121.715 120.400 -0.108 0.000 2.455 598 D HA 0.017 4.657 4.640 0.001 0.000 0.234 598 D C -0.103 176.281 176.300 0.140 0.000 1.224 598 D CA 0.124 54.167 54.000 0.071 0.000 0.999 598 D CB 0.008 40.862 40.800 0.090 0.000 1.072 598 D HN 0.527 nan 8.370 nan 0.000 0.514 599 W N 1.651 123.047 121.300 0.160 0.000 2.518 599 W HA -0.013 4.648 4.660 0.001 0.000 0.273 599 W C 2.008 178.628 176.519 0.169 0.000 1.247 599 W CA -0.111 57.362 57.345 0.213 0.000 1.288 599 W CB 0.306 29.883 29.460 0.194 0.000 1.107 599 W HN 0.314 nan 8.180 nan 0.000 0.586 600 E N 0.190 120.584 120.200 0.323 0.000 2.106 600 E HA -0.129 4.221 4.350 0.001 0.000 0.192 600 E C 2.249 178.953 176.600 0.172 0.000 0.984 600 E CA 1.465 57.995 56.400 0.218 0.000 0.806 600 E CB -1.021 28.775 29.700 0.160 0.000 0.750 600 E HN 0.232 nan 8.360 nan 0.000 0.458 601 A N 1.018 123.931 122.820 0.155 0.000 1.969 601 A HA -0.111 4.210 4.320 0.001 0.000 0.218 601 A C 2.225 179.876 177.584 0.112 0.000 1.169 601 A CA 1.033 53.142 52.037 0.120 0.000 0.635 601 A CB -0.463 18.600 19.000 0.105 0.000 0.810 601 A HN 0.235 nan 8.150 nan 0.000 0.445 602 L N -0.368 120.929 121.223 0.123 0.000 2.109 602 L HA -0.021 4.319 4.340 0.001 0.000 0.207 602 L C 2.378 179.328 176.870 0.135 0.000 1.086 602 L CA 1.938 56.818 54.840 0.068 0.000 0.760 602 L CB -0.502 41.541 42.059 -0.027 0.000 0.910 602 L HN 0.441 nan 8.230 nan 0.000 0.437 603 R N -0.605 120.018 120.500 0.205 0.000 2.080 603 R HA -0.180 4.160 4.340 0.001 0.000 0.236 603 R C 2.103 178.500 176.300 0.162 0.000 1.137 603 R CA 1.719 57.948 56.100 0.216 0.000 0.943 603 R CB -0.129 30.301 30.300 0.215 0.000 0.846 603 R HN 0.335 nan 8.270 nan 0.000 0.431 604 E N 0.146 120.425 120.200 0.132 0.000 2.051 604 E HA -0.155 4.196 4.350 0.001 0.000 0.192 604 E C 1.943 178.602 176.600 0.099 0.000 0.991 604 E CA 1.338 57.799 56.400 0.101 0.000 0.799 604 E CB -0.584 29.167 29.700 0.086 0.000 0.748 604 E HN 0.214 nan 8.360 nan 0.000 0.449 605 S N -0.064 115.707 115.700 0.119 0.000 2.399 605 S HA -0.069 4.401 4.470 0.001 0.000 0.231 605 S C 2.009 176.706 174.600 0.161 0.000 1.022 605 S CA 0.633 58.938 58.200 0.175 0.000 0.983 605 S CB -0.143 63.134 63.200 0.129 0.000 0.803 605 S HN 0.162 nan 8.310 nan 0.000 0.480 606 I N 0.804 121.445 120.570 0.117 0.000 2.233 606 I HA -0.114 4.057 4.170 0.001 0.000 0.243 606 I C 2.609 178.834 176.117 0.180 0.000 1.093 606 I CA 1.106 62.478 61.300 0.120 0.000 1.380 606 I CB -0.302 37.803 38.000 0.175 0.000 1.067 606 I HN 0.239 nan 8.210 nan 0.000 0.413 607 K N 0.319 120.833 120.400 0.190 0.000 2.152 607 K HA -0.165 4.155 4.320 0.001 0.000 0.206 607 K C 1.946 178.603 176.600 0.094 0.000 1.048 607 K CA 1.727 58.126 56.287 0.187 0.000 0.933 607 K CB 0.035 32.615 32.500 0.133 0.000 0.721 607 K HN 0.318 nan 8.250 nan 0.000 0.447 608 T N -0.964 113.578 114.554 -0.020 0.000 2.814 608 T HA -0.028 4.322 4.350 0.001 0.000 0.254 608 T C 1.158 175.675 174.700 -0.306 0.000 1.037 608 T CA 1.167 63.139 62.100 -0.213 0.000 1.143 608 T CB -0.164 68.465 68.868 -0.399 0.000 0.866 608 T HN 0.397 nan 8.240 nan 0.000 0.431 609 H N 0.112 119.153 119.070 -0.049 0.000 2.592 609 H HA 0.488 5.044 4.556 0.001 0.000 0.265 609 H C 1.356 176.536 175.328 -0.247 0.000 0.955 609 H CA 0.216 56.197 56.048 -0.111 0.000 1.175 609 H CB 0.134 29.836 29.762 -0.100 0.000 1.433 609 H HN 0.540 nan 8.280 nan 0.000 0.537 610 G N 0.433 109.073 108.800 -0.266 0.000 2.782 610 G HA2 -0.236 3.724 3.960 0.001 0.000 0.228 610 G HA3 -0.236 3.724 3.960 0.001 0.000 0.228 610 G C -0.896 173.537 174.900 -0.778 0.000 1.372 610 G CA -0.510 44.008 45.100 -0.969 0.000 0.862 610 G HN 0.184 nan 8.290 nan 0.000 0.547 611 L N -0.422 120.140 121.223 -1.101 0.000 2.346 611 L HA 0.592 4.932 4.340 0.001 0.000 0.274 611 L C 1.512 178.194 176.870 -0.313 0.000 1.007 611 L CA -0.951 53.623 54.840 -0.444 0.000 0.818 611 L CB 1.944 43.875 42.059 -0.213 0.000 1.284 611 L HN 0.735 nan 8.230 nan 0.000 0.424 612 R N 1.647 122.034 120.500 -0.188 0.000 2.148 612 R HA -0.018 4.322 4.340 0.001 0.000 0.227 612 R C -0.329 175.938 176.300 -0.055 0.000 1.103 612 R CA 1.210 57.241 56.100 -0.115 0.000 0.983 612 R CB -0.054 30.188 30.300 -0.098 0.000 0.874 612 R HN 0.672 nan 8.270 nan 0.000 0.451 613 N N -1.251 117.425 118.700 -0.040 0.000 2.346 613 N HA 0.186 4.926 4.740 0.001 0.000 0.289 613 N C -0.418 175.122 175.510 0.049 0.000 1.027 613 N CA -0.327 52.728 53.050 0.008 0.000 0.864 613 N CB 2.300 40.781 38.487 -0.010 0.000 1.370 613 N HN -0.156 nan 8.380 nan 0.000 0.481 614 S N -0.156 115.616 115.700 0.119 0.000 2.419 614 S HA -0.089 4.381 4.470 0.001 0.000 0.233 614 S C 0.948 175.562 174.600 0.024 0.000 1.016 614 S CA 1.150 59.418 58.200 0.113 0.000 0.974 614 S CB -0.242 63.090 63.200 0.221 0.000 0.786 614 S HN 0.833 nan 8.310 nan 0.000 0.492 615 T N -2.021 112.578 114.554 0.076 0.000 2.903 615 T HA 0.730 5.080 4.350 0.001 0.000 0.299 615 T C 0.151 174.885 174.700 0.057 0.000 1.093 615 T CA -0.842 61.306 62.100 0.080 0.000 1.002 615 T CB 1.685 70.637 68.868 0.139 0.000 1.127 615 T HN -0.039 nan 8.240 nan 0.000 0.488 616 L N 0.971 122.231 121.223 0.061 0.000 2.806 616 L HA 0.357 4.697 4.340 0.001 0.000 0.242 616 L C 0.838 177.742 176.870 0.056 0.000 1.068 616 L CA -0.095 54.771 54.840 0.044 0.000 0.923 616 L CB 0.613 42.688 42.059 0.028 0.000 1.364 616 L HN 0.890 nan 8.230 nan 0.000 0.511 617 S N 0.042 115.795 115.700 0.088 0.000 2.503 617 S HA 0.893 5.364 4.470 0.001 0.000 0.301 617 S C -0.474 174.175 174.600 0.081 0.000 1.087 617 S CA -0.352 57.906 58.200 0.096 0.000 1.042 617 S CB 2.505 65.801 63.200 0.159 0.000 1.043 617 S HN 0.137 nan 8.310 nan 0.000 0.489 618 A N 2.429 125.287 122.820 0.064 0.000 2.532 618 A HA 0.579 4.899 4.320 0.001 0.000 0.296 618 A C -1.184 176.426 177.584 0.043 0.000 1.058 618 A CA -0.811 51.255 52.037 0.047 0.000 0.729 618 A CB 0.849 19.869 19.000 0.033 0.000 1.285 618 A HN 0.867 nan 8.150 nan 0.000 0.396 619 L N 4.468 125.712 121.223 0.035 0.000 2.288 619 L HA 0.381 4.721 4.340 0.001 0.000 0.283 619 L C 0.445 177.327 176.870 0.019 0.000 1.072 619 L CA -0.499 54.362 54.840 0.034 0.000 0.862 619 L CB 0.634 42.701 42.059 0.013 0.000 1.245 619 L HN 0.821 nan 8.230 nan 0.000 0.432 620 M N 3.701 123.316 119.600 0.025 0.000 2.359 620 M HA 0.644 5.124 4.480 0.001 0.000 0.322 620 M C -2.686 173.634 176.300 0.034 0.000 1.166 620 M CA -2.201 53.109 55.300 0.017 0.000 1.067 620 M CB 0.328 32.939 32.600 0.017 0.000 1.523 620 M HN 0.051 nan 8.290 nan 0.000 0.467 621 P HA 0.306 nan 4.420 nan 0.000 0.274 621 P C -1.109 176.233 177.300 0.070 0.000 1.246 621 P CA -0.305 62.826 63.100 0.052 0.000 0.795 621 P CB 0.705 32.427 31.700 0.036 0.000 1.006 622 S N -1.129 114.624 115.700 0.090 0.000 2.461 622 S HA 0.263 4.733 4.470 0.001 0.000 0.216 622 S C 0.382 175.042 174.600 0.100 0.000 1.201 622 S CA -0.484 57.773 58.200 0.096 0.000 1.171 622 S CB 1.313 64.573 63.200 0.100 0.000 1.169 622 S HN 0.385 nan 8.310 nan 0.000 0.456 623 E N 3.406 123.665 120.200 0.097 0.000 2.038 623 E HA 0.041 4.392 4.350 0.001 0.000 0.190 623 E C 1.664 178.314 176.600 0.083 0.000 0.967 623 E CA 1.946 58.399 56.400 0.088 0.000 0.816 623 E CB -0.727 29.024 29.700 0.085 0.000 0.784 623 E HN 0.628 nan 8.360 nan 0.000 0.456 624 T N 0.487 115.097 114.554 0.093 0.000 2.643 624 T HA -0.143 4.208 4.350 0.001 0.000 0.264 624 T C 2.000 176.787 174.700 0.145 0.000 1.045 624 T CA 1.800 63.959 62.100 0.099 0.000 1.155 624 T CB -0.627 68.316 68.868 0.125 0.000 0.863 624 T HN 0.171 nan 8.240 nan 0.000 0.420 625 S N 2.649 118.455 115.700 0.176 0.000 2.369 625 S HA -0.175 4.296 4.470 0.001 0.000 0.225 625 S C 2.315 177.015 174.600 0.166 0.000 1.043 625 S CA 1.723 60.041 58.200 0.197 0.000 1.074 625 S CB -0.819 62.470 63.200 0.147 0.000 0.962 625 S HN 0.693 nan 8.310 nan 0.000 0.433 626 S N 1.581 117.355 115.700 0.124 0.000 2.603 626 S HA 0.032 4.502 4.470 0.001 0.000 0.229 626 S C 1.544 176.185 174.600 0.069 0.000 0.972 626 S CA 0.255 58.516 58.200 0.101 0.000 0.935 626 S CB -0.355 62.909 63.200 0.107 0.000 0.769 626 S HN 0.502 nan 8.310 nan 0.000 0.536 627 Q N 0.561 120.401 119.800 0.066 0.000 2.172 627 Q HA 0.067 4.408 4.340 0.001 0.000 0.200 627 Q C 1.784 177.796 176.000 0.020 0.000 0.964 627 Q CA 0.783 56.602 55.803 0.028 0.000 0.855 627 Q CB -0.236 28.507 28.738 0.008 0.000 0.918 627 Q HN 0.503 nan 8.270 nan 0.000 0.444 628 I N 0.650 121.268 120.570 0.080 0.000 2.248 628 I HA -0.222 3.948 4.170 0.001 0.000 0.248 628 I C 1.633 177.685 176.117 -0.107 0.000 1.107 628 I CA 1.453 62.836 61.300 0.138 0.000 1.373 628 I CB -0.870 37.328 38.000 0.329 0.000 1.055 628 I HN 0.073 nan 8.210 nan 0.000 0.418 629 S N 0.055 115.615 115.700 -0.233 0.000 2.556 629 S HA 0.045 4.515 4.470 0.001 0.000 0.216 629 S C 0.777 175.202 174.600 -0.292 0.000 0.970 629 S CA -0.264 57.592 58.200 -0.573 0.000 0.912 629 S CB -0.449 62.594 63.200 -0.260 0.000 0.790 629 S HN 0.522 nan 8.310 nan 0.000 0.504 630 N N 1.462 120.080 118.700 -0.137 0.000 2.688 630 N HA -0.223 4.518 4.740 0.001 0.000 0.258 630 N C -0.349 175.137 175.510 -0.040 0.000 1.016 630 N CA 0.442 53.455 53.050 -0.061 0.000 0.747 630 N CB -0.940 37.525 38.487 -0.038 0.000 0.895 630 N HN 0.558 nan 8.380 nan 0.000 0.543 631 A N 0.819 123.640 122.820 0.002 0.000 2.330 631 A HA 0.660 4.981 4.320 0.001 0.000 0.329 631 A C 0.574 178.222 177.584 0.107 0.000 1.135 631 A CA 0.043 52.118 52.037 0.063 0.000 0.817 631 A CB 1.108 20.168 19.000 0.100 0.000 1.269 631 A HN 0.506 nan 8.150 nan 0.000 0.469 632 T N -0.168 114.494 114.554 0.180 0.000 2.918 632 T HA 0.291 4.642 4.350 0.001 0.000 0.302 632 T C -0.022 174.799 174.700 0.201 0.000 1.045 632 T CA -0.442 61.779 62.100 0.202 0.000 1.114 632 T CB -0.204 68.844 68.868 0.301 0.000 0.965 632 T HN 0.512 nan 8.240 nan 0.000 0.540 633 N N 2.074 120.875 118.700 0.168 0.000 2.431 633 N HA 0.441 5.181 4.740 0.001 0.000 0.265 633 N C 1.460 177.086 175.510 0.192 0.000 1.184 633 N CA 0.968 54.110 53.050 0.154 0.000 0.943 633 N CB 0.200 38.758 38.487 0.118 0.000 1.080 633 N HN 1.085 nan 8.380 nan 0.000 0.477 634 G N 2.748 111.658 108.800 0.184 0.000 2.690 634 G HA2 -0.375 3.585 3.960 0.001 0.000 0.334 634 G HA3 -0.375 3.585 3.960 0.001 0.000 0.334 634 G C 0.834 175.897 174.900 0.272 0.000 1.250 634 G CA 1.060 46.274 45.100 0.189 0.000 0.994 634 G HN 0.757 nan 8.290 nan 0.000 0.549 635 I N -1.329 119.397 120.570 0.260 0.000 3.956 635 I HA 0.438 4.608 4.170 0.001 0.000 0.333 635 I C 0.257 176.708 176.117 0.555 0.000 1.302 635 I CA -0.028 61.502 61.300 0.382 0.000 1.122 635 I CB 0.206 38.258 38.000 0.086 0.000 1.013 635 I HN 0.076 nan 8.210 nan 0.000 0.405 636 E N 3.624 124.035 120.200 0.350 0.000 2.392 636 E HA 0.246 4.597 4.350 0.001 0.000 0.264 636 E C -2.254 174.420 176.600 0.124 0.000 1.024 636 E CA -2.255 54.264 56.400 0.197 0.000 0.903 636 E CB -0.056 29.697 29.700 0.087 0.000 0.963 636 E HN 0.134 nan 8.360 nan 0.000 0.432 637 P HA 0.162 nan 4.420 nan 0.000 0.276 637 P C -2.389 174.827 177.300 -0.139 0.000 1.230 637 P CA -1.266 61.696 63.100 -0.230 0.000 0.776 637 P CB -0.004 31.333 31.700 -0.606 0.000 0.888 638 P HA 0.177 nan 4.420 nan 0.000 0.271 638 P C 0.700 177.893 177.300 -0.178 0.000 1.216 638 P CA -0.045 63.002 63.100 -0.088 0.000 0.776 638 P CB 1.143 32.794 31.700 -0.080 0.000 0.881 639 R N 1.279 121.682 120.500 -0.162 0.000 2.081 639 R HA 0.054 4.394 4.340 0.001 0.000 0.235 639 R C 1.354 177.583 176.300 -0.119 0.000 1.131 639 R CA 1.604 57.609 56.100 -0.159 0.000 0.960 639 R CB -0.328 29.947 30.300 -0.041 0.000 0.856 639 R HN 0.653 nan 8.270 nan 0.000 0.436 640 G N -2.577 106.144 108.800 -0.132 0.000 2.766 640 G HA2 0.282 4.243 3.960 0.001 0.000 0.288 640 G HA3 0.282 4.243 3.960 0.001 0.000 0.288 640 G C -0.674 174.094 174.900 -0.220 0.000 1.408 640 G CA -0.667 44.316 45.100 -0.194 0.000 0.852 640 G HN -0.004 nan 8.290 nan 0.000 0.487 641 Y N -0.868 119.414 120.300 -0.029 0.000 2.439 641 Y HA 0.209 4.760 4.550 0.001 0.000 0.292 641 Y C 1.245 177.068 175.900 -0.129 0.000 1.130 641 Y CA 0.269 58.323 58.100 -0.077 0.000 1.254 641 Y CB 0.122 38.563 38.460 -0.033 0.000 1.000 641 Y HN 0.071 nan 8.280 nan 0.000 0.554 642 V N -0.471 119.463 119.914 0.034 0.000 2.483 642 V HA 0.330 4.450 4.120 0.001 0.000 0.297 642 V C -0.185 175.906 176.094 -0.005 0.000 1.027 642 V CA -1.143 61.152 62.300 -0.009 0.000 0.855 642 V CB 1.781 33.587 31.823 -0.029 0.000 0.995 642 V HN -0.112 nan 8.190 nan 0.000 0.424 643 S N 4.876 120.573 115.700 -0.005 0.000 2.541 643 S HA 0.735 5.205 4.470 0.001 0.000 0.283 643 S C -0.380 174.223 174.600 0.006 0.000 1.196 643 S CA -0.328 57.873 58.200 0.002 0.000 1.062 643 S CB 0.797 63.999 63.200 0.003 0.000 1.009 643 S HN 0.531 nan 8.310 nan 0.000 0.502 644 I N 3.170 123.746 120.570 0.010 0.000 2.465 644 I HA 0.464 4.635 4.170 0.001 0.000 0.291 644 I C -0.681 175.443 176.117 0.013 0.000 1.014 644 I CA -0.751 60.556 61.300 0.012 0.000 1.093 644 I CB 1.874 39.881 38.000 0.012 0.000 1.267 644 I HN 0.354 nan 8.210 nan 0.000 0.431 645 K N 4.263 124.670 120.400 0.012 0.000 2.316 645 K HA 0.741 5.061 4.320 0.001 0.000 0.251 645 K C -0.695 175.911 176.600 0.010 0.000 0.934 645 K CA -0.467 55.825 56.287 0.008 0.000 0.802 645 K CB 2.182 34.680 32.500 -0.003 0.000 1.171 645 K HN 0.631 nan 8.250 nan 0.000 0.426 646 A N 1.461 124.286 122.820 0.009 0.000 2.401 646 A HA 0.554 4.874 4.320 0.001 0.000 0.259 646 A C -0.190 177.397 177.584 0.005 0.000 1.103 646 A CA -0.008 52.034 52.037 0.009 0.000 0.789 646 A CB 0.134 19.139 19.000 0.009 0.000 1.035 646 A HN 0.685 nan 8.150 nan 0.000 0.491 647 S N 1.649 117.354 115.700 0.009 0.000 2.607 647 S HA 0.484 4.955 4.470 0.001 0.000 0.273 647 S C 0.786 175.392 174.600 0.010 0.000 1.148 647 S CA -0.250 57.952 58.200 0.003 0.000 0.833 647 S CB 1.318 64.516 63.200 -0.004 0.000 1.130 647 S HN 0.803 nan 8.310 nan 0.000 0.470 648 K N 0.877 121.280 120.400 0.006 0.000 2.152 648 K HA -0.080 4.241 4.320 0.001 0.000 0.206 648 K C -0.111 176.502 176.600 0.021 0.000 1.048 648 K CA 1.640 57.934 56.287 0.011 0.000 0.933 648 K CB -0.934 31.571 32.500 0.007 0.000 0.721 648 K HN 0.672 nan 8.250 nan 0.000 0.447 649 D N 1.346 121.763 120.400 0.029 0.000 2.460 649 D HA 0.251 4.891 4.640 0.001 0.000 0.229 649 D C 0.698 177.036 176.300 0.064 0.000 1.170 649 D CA 0.759 54.789 54.000 0.049 0.000 0.827 649 D CB 0.324 41.161 40.800 0.061 0.000 0.973 649 D HN 0.488 nan 8.370 nan 0.000 0.496 650 G N 0.619 109.447 108.800 0.046 0.000 2.483 650 G HA2 -0.175 3.785 3.960 0.001 0.000 0.521 650 G HA3 -0.175 3.785 3.960 0.001 0.000 0.521 650 G C -0.648 174.281 174.900 0.048 0.000 1.278 650 G CA -1.029 44.097 45.100 0.043 0.000 0.965 650 G HN 0.166 nan 8.290 nan 0.000 0.504 651 I N 0.964 121.558 120.570 0.040 0.000 2.416 651 I HA 0.329 4.499 4.170 0.001 0.000 0.288 651 I C 0.591 176.753 176.117 0.075 0.000 1.051 651 I CA -0.281 61.042 61.300 0.039 0.000 1.375 651 I CB 0.782 38.791 38.000 0.016 0.000 1.407 651 I HN 0.321 nan 8.210 nan 0.000 0.516 652 L N 7.651 128.920 121.223 0.076 0.000 2.255 652 L HA 0.467 4.808 4.340 0.001 0.000 0.289 652 L C 0.148 177.063 176.870 0.075 0.000 1.046 652 L CA -0.420 54.488 54.840 0.114 0.000 0.816 652 L CB 0.182 42.267 42.059 0.043 0.000 1.197 652 L HN 0.557 nan 8.230 nan 0.000 0.427 653 R N 3.022 123.576 120.500 0.091 0.000 2.407 653 R HA 0.436 4.777 4.340 0.001 0.000 0.303 653 R C -0.639 175.685 176.300 0.039 0.000 0.981 653 R CA -0.560 55.565 56.100 0.041 0.000 0.905 653 R CB 2.102 32.407 30.300 0.009 0.000 1.099 653 R HN 0.521 nan 8.270 nan 0.000 0.459 654 Q N 2.658 122.464 119.800 0.010 0.000 2.303 654 Q HA 0.275 4.615 4.340 0.001 0.000 0.267 654 Q C -1.373 174.617 176.000 -0.017 0.000 1.011 654 Q CA -0.591 55.209 55.803 -0.006 0.000 0.740 654 Q CB 1.851 30.584 28.738 -0.007 0.000 1.250 654 Q HN 0.380 nan 8.270 nan 0.000 0.458 655 V N 4.086 123.985 119.914 -0.025 0.000 2.546 655 V HA 0.237 4.357 4.120 0.001 0.000 0.284 655 V C 0.617 176.718 176.094 0.012 0.000 1.050 655 V CA -0.674 61.607 62.300 -0.031 0.000 0.981 655 V CB 0.991 32.779 31.823 -0.057 0.000 0.990 655 V HN 0.684 nan 8.190 nan 0.000 0.474 656 V N 3.635 123.565 119.914 0.026 0.000 2.901 656 V HA 0.236 4.356 4.120 0.001 0.000 0.307 656 V C -1.910 174.250 176.094 0.110 0.000 1.084 656 V CA -1.393 60.924 62.300 0.028 0.000 1.184 656 V CB -0.233 31.511 31.823 -0.133 0.000 0.941 656 V HN 0.799 nan 8.190 nan 0.000 0.493 657 P HA 0.073 nan 4.420 nan 0.000 0.264 657 P C 0.059 177.419 177.300 0.100 0.000 1.193 657 P CA 0.614 63.674 63.100 -0.068 0.000 0.763 657 P CB 0.244 31.628 31.700 -0.526 0.000 0.810 658 D N 1.655 122.165 120.400 0.183 0.000 2.686 658 D HA -0.279 4.362 4.640 0.001 0.000 0.235 658 D C 0.413 176.955 176.300 0.403 0.000 1.160 658 D CA 0.629 54.813 54.000 0.307 0.000 0.645 658 D CB -1.606 39.391 40.800 0.329 0.000 1.039 658 D HN 0.494 nan 8.370 nan 0.000 0.423 659 Y N 0.509 120.966 120.300 0.261 0.000 2.081 659 Y HA -0.252 4.298 4.550 0.001 0.000 0.280 659 Y C 2.253 178.278 175.900 0.207 0.000 1.163 659 Y CA 2.754 60.996 58.100 0.236 0.000 1.135 659 Y CB -0.352 38.155 38.460 0.079 0.000 0.970 659 Y HN 0.363 nan 8.280 nan 0.000 0.498 660 E N -0.799 119.516 120.200 0.192 0.000 2.113 660 E HA -0.355 3.995 4.350 0.001 0.000 0.210 660 E C 1.944 178.481 176.600 -0.105 0.000 1.040 660 E CA 2.242 58.626 56.400 -0.028 0.000 0.847 660 E CB -0.473 29.191 29.700 -0.059 0.000 0.755 660 E HN 0.720 nan 8.360 nan 0.000 0.459 661 H N -1.193 117.919 119.070 0.070 0.000 2.525 661 H HA 0.092 4.648 4.556 0.001 0.000 0.275 661 H C 1.650 176.946 175.328 -0.054 0.000 0.984 661 H CA 0.819 56.877 56.048 0.018 0.000 1.264 661 H CB 0.456 30.222 29.762 0.007 0.000 1.432 661 H HN 0.238 nan 8.280 nan 0.000 0.549 662 L N 1.568 122.846 121.223 0.092 0.000 2.808 662 L HA 0.053 4.393 4.340 0.001 0.000 0.246 662 L C 2.199 179.065 176.870 -0.007 0.000 1.153 662 L CA -0.121 54.717 54.840 -0.003 0.000 0.956 662 L CB -0.102 41.974 42.059 0.029 0.000 1.270 662 L HN 0.310 nan 8.230 nan 0.000 0.528 663 H N -0.455 118.493 119.070 -0.203 0.000 2.394 663 H HA -0.200 4.356 4.556 0.001 0.000 0.297 663 H C 0.511 175.836 175.328 -0.005 0.000 1.113 663 H CA 1.718 57.525 56.048 -0.402 0.000 1.277 663 H CB -0.245 28.788 29.762 -1.215 0.000 1.370 663 H HN 0.371 nan 8.280 nan 0.000 0.506 664 D N 0.720 120.888 120.400 -0.387 0.000 2.354 664 D HA 0.195 4.836 4.640 0.001 0.000 0.209 664 D C 2.141 178.424 176.300 -0.028 0.000 1.015 664 D CA 0.804 54.719 54.000 -0.142 0.000 0.867 664 D CB 0.161 40.810 40.800 -0.252 0.000 0.933 664 D HN 0.555 nan 8.370 nan 0.000 0.520 665 A N 0.233 123.018 122.820 -0.058 0.000 1.935 665 A HA -0.050 4.270 4.320 0.001 0.000 0.214 665 A C 0.622 178.200 177.584 -0.011 0.000 1.178 665 A CA 0.268 52.255 52.037 -0.083 0.000 0.640 665 A CB -0.521 18.366 19.000 -0.188 0.000 0.825 665 A HN 0.074 nan 8.150 nan 0.000 0.447 666 Y N 0.613 120.994 120.300 0.136 0.000 2.702 666 Y HA 0.194 4.744 4.550 0.001 0.000 0.336 666 Y C 0.777 176.779 175.900 0.170 0.000 1.235 666 Y CA 0.720 58.941 58.100 0.201 0.000 1.492 666 Y CB 0.331 38.989 38.460 0.330 0.000 1.308 666 Y HN 0.409 nan 8.280 nan 0.000 0.589 667 E N 4.301 124.711 120.200 0.349 0.000 2.149 667 E HA 0.338 4.688 4.350 0.001 0.000 0.255 667 E C -1.281 175.413 176.600 0.156 0.000 0.888 667 E CA -0.461 56.082 56.400 0.238 0.000 0.742 667 E CB 0.315 30.158 29.700 0.238 0.000 1.164 667 E HN 0.593 nan 8.360 nan 0.000 0.422 668 L N 4.388 125.640 121.223 0.048 0.000 2.483 668 L HA -0.003 4.338 4.340 0.001 0.000 0.275 668 L C 1.697 178.478 176.870 -0.149 0.000 1.220 668 L CA -0.420 54.363 54.840 -0.095 0.000 0.833 668 L CB 0.158 42.105 42.059 -0.187 0.000 1.102 668 L HN 0.711 nan 8.230 nan 0.000 0.490 669 L N 2.092 123.130 121.223 -0.309 0.000 1.991 669 L HA -0.227 4.114 4.340 0.001 0.000 0.221 669 L C 1.748 178.346 176.870 -0.452 0.000 1.079 669 L CA 2.174 56.686 54.840 -0.547 0.000 0.778 669 L CB -0.523 41.000 42.059 -0.893 0.000 0.893 669 L HN 0.580 nan 8.230 nan 0.000 0.437 670 W N -0.313 120.950 121.300 -0.062 0.000 3.077 670 W HA 0.050 4.710 4.660 0.001 0.000 0.245 670 W C 1.709 178.219 176.519 -0.014 0.000 1.316 670 W CA 0.081 57.406 57.345 -0.033 0.000 1.537 670 W CB -0.147 29.301 29.460 -0.020 0.000 1.131 670 W HN 0.273 nan 8.180 nan 0.000 0.695 671 E N 0.212 120.493 120.200 0.135 0.000 2.463 671 E HA 0.080 4.430 4.350 0.001 0.000 0.193 671 E C 0.516 177.168 176.600 0.086 0.000 1.041 671 E CA 0.056 56.522 56.400 0.110 0.000 0.879 671 E CB -0.015 29.741 29.700 0.094 0.000 0.997 671 E HN 0.261 nan 8.360 nan 0.000 0.478 672 M N 1.486 121.125 119.600 0.066 0.000 2.146 672 M HA 0.157 4.638 4.480 0.001 0.000 0.357 672 M C -1.816 174.528 176.300 0.073 0.000 1.261 672 M CA -1.902 53.433 55.300 0.059 0.000 1.106 672 M CB 0.726 33.332 32.600 0.011 0.000 1.612 672 M HN -0.228 nan 8.290 nan 0.000 0.470 673 P HA -0.068 nan 4.420 nan 0.000 0.220 673 P C 0.406 177.745 177.300 0.064 0.000 1.144 673 P CA 0.777 63.910 63.100 0.055 0.000 0.800 673 P CB 0.282 32.012 31.700 0.050 0.000 0.772 674 G N -2.308 106.537 108.800 0.075 0.000 2.428 674 G HA2 0.072 4.033 3.960 0.001 0.000 0.304 674 G HA3 0.072 4.033 3.960 0.001 0.000 0.304 674 G C -0.346 174.587 174.900 0.054 0.000 1.303 674 G CA -0.425 44.725 45.100 0.084 0.000 0.825 674 G HN -0.251 nan 8.290 nan 0.000 0.484 675 N N 0.194 118.927 118.700 0.055 0.000 2.373 675 N HA 0.041 4.781 4.740 0.001 0.000 0.181 675 N C 1.206 176.824 175.510 0.180 0.000 1.082 675 N CA 0.485 53.575 53.050 0.067 0.000 0.885 675 N CB 0.285 38.776 38.487 0.006 0.000 0.977 675 N HN 0.510 nan 8.380 nan 0.000 0.462 676 D N 0.785 121.289 120.400 0.172 0.000 2.106 676 D HA -0.143 4.497 4.640 0.001 0.000 0.191 676 D C 1.880 178.281 176.300 0.169 0.000 0.997 676 D CA 1.429 55.542 54.000 0.187 0.000 0.834 676 D CB -0.329 40.572 40.800 0.167 0.000 0.956 676 D HN 0.286 nan 8.370 nan 0.000 0.448 677 G N -0.131 108.768 108.800 0.165 0.000 2.422 677 G HA2 -0.293 3.668 3.960 0.001 0.000 0.218 677 G HA3 -0.293 3.668 3.960 0.001 0.000 0.218 677 G C 1.552 176.577 174.900 0.208 0.000 1.146 677 G CA 0.664 45.856 45.100 0.153 0.000 0.769 677 G HN 0.310 nan 8.290 nan 0.000 0.547 678 Y N 1.099 121.488 120.300 0.148 0.000 2.133 678 Y HA 0.020 4.570 4.550 0.001 0.000 0.287 678 Y C 2.587 178.558 175.900 0.120 0.000 1.134 678 Y CA 1.266 59.481 58.100 0.192 0.000 1.133 678 Y CB -0.297 38.232 38.460 0.115 0.000 0.987 678 Y HN 0.086 nan 8.280 nan 0.000 0.502 679 L N 0.241 121.576 121.223 0.186 0.000 2.043 679 L HA -0.320 4.020 4.340 0.001 0.000 0.212 679 L C 2.598 179.454 176.870 -0.025 0.000 1.075 679 L CA 1.852 56.745 54.840 0.090 0.000 0.752 679 L CB -0.772 41.425 42.059 0.230 0.000 0.891 679 L HN 0.363 nan 8.230 nan 0.000 0.432 680 Q N -0.216 119.541 119.800 -0.071 0.000 2.096 680 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 680 Q C 2.372 178.230 176.000 -0.237 0.000 0.982 680 Q CA 1.423 57.045 55.803 -0.301 0.000 0.850 680 Q CB -0.165 28.376 28.738 -0.327 0.000 0.901 680 Q HN 0.553 nan 8.270 nan 0.000 0.422 681 L N -0.242 120.891 121.223 -0.149 0.000 2.093 681 L HA -0.144 4.196 4.340 0.001 0.000 0.208 681 L C 2.357 179.061 176.870 -0.278 0.000 1.085 681 L CA 0.547 55.301 54.840 -0.144 0.000 0.755 681 L CB -0.421 41.632 42.059 -0.009 0.000 0.904 681 L HN 0.097 nan 8.230 nan 0.000 0.435 682 V N 0.453 120.164 119.914 -0.337 0.000 2.295 682 V HA -0.229 3.892 4.120 0.001 0.000 0.246 682 V C 2.671 178.617 176.094 -0.247 0.000 1.049 682 V CA 2.100 64.192 62.300 -0.348 0.000 1.024 682 V CB -1.256 30.367 31.823 -0.333 0.000 0.648 682 V HN 0.567 nan 8.190 nan 0.000 0.447 683 G N -0.234 108.460 108.800 -0.176 0.000 2.440 683 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 683 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 683 G C 1.590 176.377 174.900 -0.187 0.000 1.154 683 G CA 1.135 46.156 45.100 -0.131 0.000 0.767 683 G HN 0.496 nan 8.290 nan 0.000 0.552 684 I N 0.317 120.761 120.570 -0.209 0.000 2.286 684 I HA -0.170 4.001 4.170 0.001 0.000 0.248 684 I C 2.944 178.947 176.117 -0.190 0.000 1.115 684 I CA 0.965 62.161 61.300 -0.173 0.000 1.392 684 I CB -0.142 37.808 38.000 -0.083 0.000 1.065 684 I HN 0.183 nan 8.210 nan 0.000 0.418 685 M N -0.442 118.951 119.600 -0.346 0.000 2.086 685 M HA -0.260 4.220 4.480 0.001 0.000 0.261 685 M C 2.350 178.515 176.300 -0.225 0.000 1.067 685 M CA 1.700 56.672 55.300 -0.547 0.000 1.116 685 M CB -0.386 31.682 32.600 -0.886 0.000 1.348 685 M HN 0.113 nan 8.290 nan 0.000 0.407 686 Q N 0.916 120.605 119.800 -0.185 0.000 2.364 686 Q HA -0.151 4.189 4.340 0.001 0.000 0.209 686 Q C 1.703 177.718 176.000 0.025 0.000 0.977 686 Q CA 1.477 57.244 55.803 -0.061 0.000 0.885 686 Q CB -0.273 28.432 28.738 -0.055 0.000 0.941 686 Q HN 0.399 nan 8.270 nan 0.000 0.464 687 K N -1.207 119.084 120.400 -0.181 0.000 2.103 687 K HA -0.154 4.166 4.320 0.001 0.000 0.207 687 K C 0.904 177.320 176.600 -0.307 0.000 1.048 687 K CA 1.537 57.583 56.287 -0.401 0.000 0.930 687 K CB -0.079 31.872 32.500 -0.914 0.000 0.716 687 K HN 0.252 nan 8.250 nan 0.000 0.444 688 F N 0.632 120.609 119.950 0.044 0.000 2.559 688 F HA 0.224 4.751 4.527 0.001 0.000 0.286 688 F C 0.714 176.592 175.800 0.131 0.000 1.108 688 F CA -0.490 57.571 58.000 0.102 0.000 1.436 688 F CB 0.171 39.253 39.000 0.136 0.000 1.130 688 F HN -0.163 nan 8.300 nan 0.000 0.584 689 I N 1.939 122.657 120.570 0.247 0.000 2.618 689 I HA -0.091 4.079 4.170 0.001 0.000 0.284 689 I C 1.064 177.223 176.117 0.071 0.000 1.146 689 I CA 0.266 61.665 61.300 0.165 0.000 1.425 689 I CB 0.191 38.247 38.000 0.092 0.000 1.383 689 I HN 0.168 nan 8.210 nan 0.000 0.562 690 D N 4.317 124.772 120.400 0.091 0.000 2.144 690 D HA -0.122 4.519 4.640 0.001 0.000 0.199 690 D C 1.391 177.700 176.300 0.013 0.000 0.984 690 D CA 1.485 55.512 54.000 0.045 0.000 0.834 690 D CB 0.541 41.404 40.800 0.106 0.000 0.955 690 D HN 0.620 nan 8.370 nan 0.000 0.465 691 Q N -0.573 119.253 119.800 0.044 0.000 3.082 691 Q HA 0.348 4.688 4.340 0.001 0.000 0.213 691 Q C 0.420 176.436 176.000 0.028 0.000 1.170 691 Q CA -0.403 55.429 55.803 0.047 0.000 0.316 691 Q CB 0.613 29.387 28.738 0.059 0.000 5.820 691 Q HN -0.086 nan 8.270 nan 0.000 0.315 692 S N -1.095 114.619 115.700 0.024 0.000 2.900 692 S HA 0.696 5.166 4.470 0.001 0.000 0.320 692 S C -1.498 173.103 174.600 0.001 0.000 1.130 692 S CA -0.717 57.492 58.200 0.015 0.000 0.863 692 S CB 0.892 64.103 63.200 0.019 0.000 1.295 692 S HN 0.338 nan 8.310 nan 0.000 0.596 693 I N 1.243 121.806 120.570 -0.012 0.000 2.619 693 I HA 0.299 4.470 4.170 0.001 0.000 0.292 693 I C -0.636 175.465 176.117 -0.028 0.000 1.100 693 I CA -0.506 60.776 61.300 -0.031 0.000 1.043 693 I CB 2.392 40.348 38.000 -0.073 0.000 1.239 693 I HN 0.380 nan 8.210 nan 0.000 0.420 694 S N 4.884 120.565 115.700 -0.033 0.000 3.517 694 S HA 0.396 4.866 4.470 0.001 0.000 0.284 694 S C 0.228 174.830 174.600 0.003 0.000 1.260 694 S CA -0.485 57.679 58.200 -0.059 0.000 0.975 694 S CB -0.203 62.948 63.200 -0.082 0.000 1.540 694 S HN 0.595 nan 8.310 nan 0.000 0.506 695 A N 4.135 126.975 122.820 0.034 0.000 2.292 695 A HA 0.493 4.814 4.320 0.001 0.000 0.319 695 A C 0.173 177.869 177.584 0.187 0.000 1.206 695 A CA -0.848 51.290 52.037 0.169 0.000 0.835 695 A CB 0.473 19.558 19.000 0.142 0.000 1.164 695 A HN 0.735 nan 8.150 nan 0.000 0.505 696 N N 0.552 119.397 118.700 0.241 0.000 2.456 696 N HA 0.553 5.293 4.740 0.001 0.000 0.296 696 N C -0.322 175.233 175.510 0.075 0.000 1.102 696 N CA -0.484 52.646 53.050 0.132 0.000 0.924 696 N CB 1.667 40.191 38.487 0.062 0.000 1.186 696 N HN 0.725 nan 8.380 nan 0.000 0.492 697 T N -0.930 113.692 114.554 0.113 0.000 2.902 697 T HA 0.437 4.787 4.350 0.001 0.000 0.283 697 T C -0.594 174.068 174.700 -0.063 0.000 1.009 697 T CA -0.947 61.167 62.100 0.023 0.000 1.051 697 T CB 1.103 70.104 68.868 0.222 0.000 0.999 697 T HN 0.372 nan 8.240 nan 0.000 0.474 698 N N 1.161 119.657 118.700 -0.341 0.000 2.249 698 N HA 0.386 5.127 4.740 0.001 0.000 0.296 698 N C -1.855 173.485 175.510 -0.284 0.000 1.051 698 N CA -0.515 52.425 53.050 -0.184 0.000 0.815 698 N CB 2.385 40.661 38.487 -0.350 0.000 1.487 698 N HN 0.664 nan 8.380 nan 0.000 0.475 699 Y N -0.330 120.242 120.300 0.453 0.000 2.396 699 Y HA 0.184 4.734 4.550 0.001 0.000 0.332 699 Y C -0.552 175.529 175.900 0.303 0.000 1.034 699 Y CA -0.965 57.365 58.100 0.383 0.000 1.057 699 Y CB 1.830 40.410 38.460 0.199 0.000 1.220 699 Y HN 0.364 nan 8.280 nan 0.000 0.440 700 D N 4.904 125.552 120.400 0.412 0.000 2.373 700 D HA 0.305 4.945 4.640 0.001 0.000 0.227 700 D C -2.031 174.420 176.300 0.252 0.000 1.091 700 D CA -2.512 51.541 54.000 0.088 0.000 0.840 700 D CB 2.047 42.868 40.800 0.035 0.000 1.060 700 D HN 0.201 nan 8.370 nan 0.000 0.502 701 P HA -0.158 nan 4.420 nan 0.000 0.216 701 P C 1.230 178.658 177.300 0.213 0.000 1.150 701 P CA 1.229 64.437 63.100 0.179 0.000 0.843 701 P CB 0.142 31.868 31.700 0.043 0.000 0.787 702 S N -1.225 114.530 115.700 0.092 0.000 2.555 702 S HA -0.024 4.447 4.470 0.001 0.000 0.230 702 S C 1.772 176.392 174.600 0.034 0.000 0.978 702 S CA 0.353 58.583 58.200 0.051 0.000 0.934 702 S CB -0.747 62.451 63.200 -0.002 0.000 0.766 702 S HN 0.087 nan 8.310 nan 0.000 0.533 703 R N -0.485 120.033 120.500 0.030 0.000 2.299 703 R HA 0.290 4.630 4.340 0.001 0.000 0.197 703 R C -0.736 175.335 176.300 -0.381 0.000 0.971 703 R CA 0.304 56.299 56.100 -0.175 0.000 1.030 703 R CB 0.040 30.184 30.300 -0.261 0.000 0.932 703 R HN 0.426 nan 8.270 nan 0.000 0.477 704 F N 0.331 120.309 119.950 0.048 0.000 2.522 704 F HA 0.363 4.891 4.527 0.001 0.000 0.324 704 F C -2.000 173.817 175.800 0.029 0.000 1.077 704 F CA -3.255 54.772 58.000 0.045 0.000 0.944 704 F CB 1.153 40.183 39.000 0.050 0.000 1.175 704 F HN -0.285 nan 8.300 nan 0.000 0.468 705 P HA 0.089 nan 4.420 nan 0.000 0.263 705 P C -0.131 177.235 177.300 0.109 0.000 1.195 705 P CA 0.510 63.682 63.100 0.120 0.000 0.762 705 P CB 0.568 32.331 31.700 0.106 0.000 0.799 706 S N 2.127 117.871 115.700 0.074 0.000 3.586 706 S HA -0.169 4.301 4.470 0.001 0.000 0.309 706 S C 1.315 175.950 174.600 0.057 0.000 1.195 706 S CA 0.884 59.116 58.200 0.054 0.000 0.895 706 S CB -2.327 60.899 63.200 0.042 0.000 0.983 706 S HN 1.054 nan 8.310 nan 0.000 0.563 707 G N 0.403 109.254 108.800 0.084 0.000 2.200 707 G HA2 -0.392 3.568 3.960 0.001 0.000 0.267 707 G HA3 -0.392 3.568 3.960 0.001 0.000 0.267 707 G C -0.160 174.781 174.900 0.069 0.000 0.993 707 G CA 1.340 46.492 45.100 0.086 0.000 0.701 707 G HN 1.285 nan 8.290 nan 0.000 0.524 708 K N -0.494 119.942 120.400 0.060 0.000 2.206 708 K HA 0.715 5.035 4.320 0.001 0.000 0.264 708 K C -0.220 176.308 176.600 -0.120 0.000 0.967 708 K CA -1.112 55.164 56.287 -0.019 0.000 0.844 708 K CB 2.472 34.961 32.500 -0.019 0.000 1.099 708 K HN 0.129 nan 8.250 nan 0.000 0.441 709 V N 5.057 124.812 119.914 -0.266 0.000 2.408 709 V HA 0.273 4.393 4.120 0.001 0.000 0.267 709 V C -1.834 174.010 176.094 -0.417 0.000 1.047 709 V CA -1.374 60.575 62.300 -0.585 0.000 0.937 709 V CB 0.288 31.759 31.823 -0.587 0.000 0.999 709 V HN 0.878 nan 8.190 nan 0.000 0.472 710 P HA 0.199 nan 4.420 nan 0.000 0.280 710 P C 0.660 177.864 177.300 -0.160 0.000 1.244 710 P CA -0.608 62.383 63.100 -0.181 0.000 0.784 710 P CB 1.034 32.693 31.700 -0.069 0.000 0.913 711 M N 2.935 122.476 119.600 -0.098 0.000 2.146 711 M HA -0.268 4.212 4.480 0.001 0.000 0.256 711 M C 1.976 178.261 176.300 -0.025 0.000 1.075 711 M CA 2.026 57.291 55.300 -0.058 0.000 1.082 711 M CB -1.182 31.407 32.600 -0.020 0.000 1.355 711 M HN 0.440 nan 8.290 nan 0.000 0.402 712 Q N -0.566 119.229 119.800 -0.009 0.000 2.061 712 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 712 Q C 2.114 178.142 176.000 0.048 0.000 0.984 712 Q CA 2.257 58.075 55.803 0.025 0.000 0.846 712 Q CB -0.374 28.387 28.738 0.039 0.000 0.902 712 Q HN 0.637 nan 8.270 nan 0.000 0.421 713 Q N -0.295 119.532 119.800 0.044 0.000 2.119 713 Q HA -0.047 4.294 4.340 0.001 0.000 0.201 713 Q C 1.875 177.941 176.000 0.110 0.000 0.972 713 Q CA 1.391 57.263 55.803 0.115 0.000 0.847 713 Q CB -0.259 28.578 28.738 0.166 0.000 0.903 713 Q HN 0.536 nan 8.270 nan 0.000 0.433 714 L N -0.507 120.698 121.223 -0.029 0.000 2.042 714 L HA -0.201 4.139 4.340 0.001 0.000 0.210 714 L C 2.249 179.187 176.870 0.113 0.000 1.076 714 L CA 1.117 55.947 54.840 -0.017 0.000 0.749 714 L CB -0.459 41.527 42.059 -0.123 0.000 0.893 714 L HN 0.268 nan 8.230 nan 0.000 0.432 715 L N -0.506 120.772 121.223 0.091 0.000 2.156 715 L HA -0.180 4.160 4.340 0.001 0.000 0.208 715 L C 2.631 179.565 176.870 0.106 0.000 1.095 715 L CA 0.991 55.896 54.840 0.109 0.000 0.770 715 L CB -0.369 41.726 42.059 0.059 0.000 0.914 715 L HN 0.207 nan 8.230 nan 0.000 0.439 716 K N 0.168 120.631 120.400 0.105 0.000 2.057 716 K HA -0.193 4.128 4.320 0.001 0.000 0.207 716 K C 1.630 178.311 176.600 0.134 0.000 1.049 716 K CA 1.648 57.996 56.287 0.102 0.000 0.931 716 K CB 0.078 32.646 32.500 0.113 0.000 0.714 716 K HN 0.188 nan 8.250 nan 0.000 0.440 717 D N 0.684 121.201 120.400 0.196 0.000 2.144 717 D HA -0.160 4.480 4.640 0.001 0.000 0.200 717 D C 1.802 178.230 176.300 0.212 0.000 0.978 717 D CA 0.715 54.853 54.000 0.230 0.000 0.833 717 D CB -0.152 40.842 40.800 0.323 0.000 0.961 717 D HN 0.142 nan 8.370 nan 0.000 0.470 718 L N 0.394 121.748 121.223 0.218 0.000 2.083 718 L HA -0.111 4.230 4.340 0.001 0.000 0.209 718 L C 2.054 179.010 176.870 0.143 0.000 1.083 718 L CA 1.310 56.291 54.840 0.234 0.000 0.752 718 L CB -0.238 42.000 42.059 0.299 0.000 0.899 718 L HN 0.013 nan 8.230 nan 0.000 0.433 719 L N -1.668 119.595 121.223 0.066 0.000 2.109 719 L HA -0.137 4.204 4.340 0.001 0.000 0.207 719 L C 2.325 179.174 176.870 -0.035 0.000 1.086 719 L CA 1.393 56.196 54.840 -0.061 0.000 0.760 719 L CB -0.989 41.029 42.059 -0.069 0.000 0.910 719 L HN 0.207 nan 8.230 nan 0.000 0.437 720 T N 0.142 114.712 114.554 0.026 0.000 2.746 720 T HA -0.182 4.169 4.350 0.001 0.000 0.267 720 T C 2.057 176.805 174.700 0.080 0.000 1.039 720 T CA 1.335 63.447 62.100 0.019 0.000 1.142 720 T CB -0.229 68.729 68.868 0.150 0.000 0.866 720 T HN 0.437 nan 8.240 nan 0.000 0.444 721 A N 0.628 123.539 122.820 0.153 0.000 1.865 721 A HA -0.150 4.170 4.320 0.001 0.000 0.217 721 A C 2.100 179.772 177.584 0.146 0.000 1.191 721 A CA 1.798 53.944 52.037 0.182 0.000 0.623 721 A CB -1.162 17.964 19.000 0.209 0.000 0.826 721 A HN 0.599 nan 8.150 nan 0.000 0.444 722 Y N 0.559 120.846 120.300 -0.022 0.000 2.181 722 Y HA -0.233 4.318 4.550 0.001 0.000 0.288 722 Y C 2.431 178.349 175.900 0.030 0.000 1.146 722 Y CA 2.453 60.540 58.100 -0.022 0.000 1.164 722 Y CB -0.198 38.011 38.460 -0.418 0.000 0.982 722 Y HN 0.353 nan 8.280 nan 0.000 0.515 723 K N -0.626 119.740 120.400 -0.057 0.000 2.063 723 K HA -0.183 4.138 4.320 0.001 0.000 0.208 723 K C 1.146 177.535 176.600 -0.352 0.000 1.048 723 K CA 1.818 57.947 56.287 -0.264 0.000 0.928 723 K CB -0.440 31.762 32.500 -0.496 0.000 0.713 723 K HN 0.297 nan 8.250 nan 0.000 0.442 724 F N 0.232 120.135 119.950 -0.079 0.000 2.773 724 F HA 0.276 4.804 4.527 0.001 0.000 0.304 724 F C 1.301 176.968 175.800 -0.221 0.000 1.129 724 F CA 0.393 58.321 58.000 -0.120 0.000 1.378 724 F CB 0.423 39.383 39.000 -0.067 0.000 1.095 724 F HN 0.325 nan 8.300 nan 0.000 0.565 725 G N 0.327 108.993 108.800 -0.225 0.000 2.137 725 G HA2 -0.250 3.710 3.960 0.001 0.000 0.237 725 G HA3 -0.250 3.710 3.960 0.001 0.000 0.237 725 G C 0.088 174.841 174.900 -0.246 0.000 1.002 725 G CA 0.022 44.765 45.100 -0.596 0.000 0.702 725 G HN 0.130 nan 8.290 nan 0.000 0.515 726 V N 0.427 120.332 119.914 -0.014 0.000 2.540 726 V HA 0.126 4.246 4.120 0.001 0.000 0.297 726 V C 1.716 177.910 176.094 0.166 0.000 1.024 726 V CA 1.246 63.588 62.300 0.070 0.000 1.105 726 V CB 1.235 33.120 31.823 0.103 0.000 0.938 726 V HN 0.461 nan 8.190 nan 0.000 0.482 727 K N 2.119 122.597 120.400 0.129 0.000 2.137 727 K HA 0.061 4.382 4.320 0.001 0.000 0.202 727 K C 0.701 177.392 176.600 0.152 0.000 1.052 727 K CA 1.081 57.462 56.287 0.157 0.000 0.961 727 K CB 0.215 32.781 32.500 0.110 0.000 0.741 727 K HN 0.898 nan 8.250 nan 0.000 0.452 728 T N -1.643 112.988 114.554 0.128 0.000 2.883 728 T HA 0.633 4.983 4.350 0.001 0.000 0.301 728 T C -0.525 174.254 174.700 0.131 0.000 1.158 728 T CA -1.025 61.155 62.100 0.133 0.000 1.007 728 T CB 1.691 70.612 68.868 0.089 0.000 1.186 728 T HN -0.120 nan 8.240 nan 0.000 0.499 732 Q N 3.159 123.213 119.800 0.423 0.000 2.314 732 Q HA 0.470 4.810 4.340 0.001 0.000 0.259 732 Q C -1.267 174.905 176.000 0.287 0.000 0.951 732 Q CA -0.670 55.334 55.803 0.335 0.000 0.909 732 Q CB 0.846 29.775 28.738 0.319 0.000 1.236 732 Q HN 0.631 nan 8.270 nan 0.000 0.444 733 N N 2.869 121.737 118.700 0.280 0.000 2.425 733 N HA 0.295 5.035 4.740 0.001 0.000 0.268 733 N C -1.269 174.499 175.510 0.431 0.000 0.991 733 N CA -0.216 53.011 53.050 0.295 0.000 0.931 733 N CB 1.892 40.529 38.487 0.250 0.000 1.130 733 N HN 0.402 nan 8.380 nan 0.000 0.493 734 T N 1.289 116.027 114.554 0.306 0.000 2.772 734 T HA 0.284 4.635 4.350 0.001 0.000 0.288 734 T C 0.710 175.443 174.700 0.055 0.000 0.994 734 T CA -0.686 61.544 62.100 0.217 0.000 0.951 734 T CB 1.713 70.653 68.868 0.121 0.000 0.933 734 T HN 0.281 nan 8.240 nan 0.000 0.447 735 R N 1.910 122.259 120.500 -0.252 0.000 2.801 735 R HA 0.167 4.508 4.340 0.001 0.000 0.273 735 R C -0.534 175.584 176.300 -0.303 0.000 1.080 735 R CA -0.079 55.666 56.100 -0.591 0.000 1.197 735 R CB 0.287 29.666 30.300 -1.534 0.000 1.109 735 R HN 0.765 nan 8.270 nan 0.000 0.535 736 D N 0.487 120.727 120.400 -0.267 0.000 2.749 736 D HA 0.349 4.990 4.640 0.001 0.000 0.338 736 D C -0.323 175.879 176.300 -0.164 0.000 1.236 736 D CA -0.561 53.343 54.000 -0.161 0.000 0.845 736 D CB 1.409 42.156 40.800 -0.087 0.000 1.080 736 D HN 0.620 nan 8.370 nan 0.000 0.497 737 G N 0.000 108.674 108.800 -0.211 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.003 45.100 -0.162 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925