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 2xo5_1_C DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPIRGGEA FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLYXQN 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 0.003 0.000 0.885 4 N CB 0.000 38.488 38.487 0.002 0.000 1.341 5 L N 1.761 122.982 121.223 -0.003 0.000 2.239 5 L HA -0.105 4.235 4.340 0.001 0.000 0.598 5 L C -1.656 175.186 176.870 -0.047 0.000 1.000 5 L CA -0.123 54.708 54.840 -0.016 0.000 1.288 5 L CB -0.190 41.863 42.059 -0.010 0.000 1.989 5 L HN 0.195 nan 8.230 nan 0.000 0.990 6 L N 4.842 126.036 121.223 -0.049 0.000 2.375 6 L HA 0.807 5.148 4.340 0.001 0.000 0.268 6 L C -0.215 176.587 176.870 -0.112 0.000 1.058 6 L CA -0.509 54.292 54.840 -0.064 0.000 0.803 6 L CB 1.826 43.863 42.059 -0.035 0.000 1.212 6 L HN 0.266 nan 8.230 nan 0.000 0.451 7 V N 0.191 120.036 119.914 -0.115 0.000 2.525 7 V HA 0.268 4.389 4.120 0.001 0.000 0.299 7 V C -0.284 175.749 176.094 -0.103 0.000 1.034 7 V CA -0.731 61.475 62.300 -0.156 0.000 0.863 7 V CB 1.830 33.543 31.823 -0.183 0.000 0.999 7 V HN 0.729 nan 8.190 nan 0.000 0.423 8 T N 5.920 120.417 114.554 -0.095 0.000 2.751 8 T HA 0.142 4.493 4.350 0.001 0.000 0.290 8 T C 0.471 175.142 174.700 -0.048 0.000 0.919 8 T CA 0.028 62.096 62.100 -0.053 0.000 1.136 8 T CB 0.014 68.864 68.868 -0.030 0.000 0.875 8 T HN 0.411 nan 8.240 nan 0.000 0.532 9 K N 2.547 122.928 120.400 -0.031 0.000 2.188 9 K HA 0.161 4.482 4.320 0.001 0.000 0.246 9 K C 1.753 178.353 176.600 -0.001 0.000 1.026 9 K CA -0.405 55.872 56.287 -0.016 0.000 0.871 9 K CB 0.381 32.875 32.500 -0.010 0.000 1.042 9 K HN 0.461 nan 8.250 nan 0.000 0.509 10 R N 1.115 121.622 120.500 0.012 0.000 2.103 10 R HA -0.175 4.165 4.340 0.001 0.000 0.242 10 R C 1.440 177.747 176.300 0.011 0.000 1.142 10 R CA 1.664 57.775 56.100 0.018 0.000 0.960 10 R CB -0.220 30.093 30.300 0.021 0.000 0.858 10 R HN 0.627 nan 8.270 nan 0.000 0.439 11 D N -1.719 118.685 120.400 0.007 0.000 2.087 11 D HA -0.066 4.575 4.640 0.001 0.000 0.203 11 D C 1.480 177.784 176.300 0.006 0.000 0.976 11 D CA 1.882 55.885 54.000 0.006 0.000 0.865 11 D CB 0.044 40.847 40.800 0.004 0.000 1.005 11 D HN 0.440 nan 8.370 nan 0.000 0.449 12 G N -0.275 108.527 108.800 0.003 0.000 4.452 12 G HA2 -0.066 3.895 3.960 0.001 0.000 0.157 12 G HA3 -0.066 3.895 3.960 0.001 0.000 0.157 12 G C 0.068 174.968 174.900 -0.000 0.000 0.823 12 G CA 0.344 45.446 45.100 0.003 0.000 0.808 12 G HN 0.340 nan 8.290 nan 0.000 0.443 13 S N 1.054 116.753 115.700 -0.002 0.000 2.566 13 S HA 0.465 4.935 4.470 0.001 0.000 0.280 13 S C 0.294 174.888 174.600 -0.011 0.000 1.343 13 S CA 0.752 58.949 58.200 -0.005 0.000 1.036 13 S CB 1.277 64.475 63.200 -0.004 0.000 0.866 13 S HN 1.185 nan 8.310 nan 0.000 0.526 14 T N -0.950 113.596 114.554 -0.013 0.000 2.848 14 T HA 0.659 5.009 4.350 0.001 0.000 0.285 14 T C -0.978 173.708 174.700 -0.023 0.000 0.995 14 T CA -0.924 61.163 62.100 -0.021 0.000 0.970 14 T CB 1.321 70.178 68.868 -0.018 0.000 0.976 14 T HN 0.875 nan 8.240 nan 0.000 0.441 15 E N 2.407 122.587 120.200 -0.033 0.000 2.393 15 E HA 0.542 4.892 4.350 0.001 0.000 0.273 15 E C -0.690 175.884 176.600 -0.043 0.000 0.918 15 E CA -1.395 54.986 56.400 -0.031 0.000 0.773 15 E CB 1.844 31.528 29.700 -0.026 0.000 1.275 15 E HN 0.551 nan 8.360 nan 0.000 0.451 16 R N 0.731 121.210 120.500 -0.036 0.000 2.698 16 R HA 0.156 4.497 4.340 0.001 0.000 0.266 16 R C 0.276 176.541 176.300 -0.059 0.000 1.026 16 R CA -0.118 55.957 56.100 -0.041 0.000 1.102 16 R CB 0.397 30.681 30.300 -0.026 0.000 0.978 16 R HN 0.545 nan 8.270 nan 0.000 0.436 17 I N 2.149 122.675 120.570 -0.074 0.000 2.648 17 I HA -0.111 4.059 4.170 0.001 0.000 0.284 17 I C 0.026 176.101 176.117 -0.069 0.000 1.153 17 I CA 0.379 61.617 61.300 -0.105 0.000 1.426 17 I CB 0.413 38.333 38.000 -0.133 0.000 1.381 17 I HN 0.473 nan 8.210 nan 0.000 0.571 18 N N 7.666 126.322 118.700 -0.074 0.000 2.817 18 N HA 0.219 4.960 4.740 0.001 0.000 0.234 18 N C 0.581 176.079 175.510 -0.019 0.000 1.066 18 N CA -0.230 52.800 53.050 -0.035 0.000 0.926 18 N CB 0.689 39.163 38.487 -0.021 0.000 1.176 18 N HN 0.671 nan 8.380 nan 0.000 0.506 19 L N 0.708 121.934 121.223 0.004 0.000 2.131 19 L HA -0.110 4.230 4.340 0.001 0.000 0.210 19 L C 1.246 178.183 176.870 0.112 0.000 1.092 19 L CA 0.843 55.721 54.840 0.064 0.000 0.759 19 L CB -0.008 42.108 42.059 0.093 0.000 0.903 19 L HN 0.343 nan 8.230 nan 0.000 0.435 20 D N 0.165 120.607 120.400 0.070 0.000 2.117 20 D HA -0.147 4.493 4.640 0.001 0.000 0.198 20 D C 2.193 178.555 176.300 0.103 0.000 0.982 20 D CA 0.952 55.002 54.000 0.083 0.000 0.828 20 D CB 0.050 40.874 40.800 0.040 0.000 0.967 20 D HN 0.163 nan 8.370 nan 0.000 0.464 21 K N 0.290 120.725 120.400 0.057 0.000 2.032 21 K HA -0.119 4.201 4.320 0.001 0.000 0.209 21 K C 2.279 178.901 176.600 0.037 0.000 1.048 21 K CA 0.730 57.039 56.287 0.037 0.000 0.927 21 K CB -0.195 32.315 32.500 0.017 0.000 0.712 21 K HN 0.171 nan 8.250 nan 0.000 0.441 22 I N -0.283 120.323 120.570 0.060 0.000 2.226 22 I HA -0.298 3.872 4.170 0.001 0.000 0.245 22 I C 2.415 178.601 176.117 0.115 0.000 1.100 22 I CA 1.379 62.726 61.300 0.078 0.000 1.374 22 I CB -0.328 37.751 38.000 0.130 0.000 1.057 22 I HN 0.263 nan 8.210 nan 0.000 0.413 23 H N 0.958 120.074 119.070 0.078 0.000 2.387 23 H HA -0.140 4.416 4.556 0.001 0.000 0.299 23 H C 2.367 177.719 175.328 0.040 0.000 1.099 23 H CA 1.783 57.870 56.048 0.066 0.000 1.315 23 H CB 0.074 29.872 29.762 0.061 0.000 1.380 23 H HN 0.074 nan 8.280 nan 0.000 0.513 24 R N -0.697 119.834 120.500 0.051 0.000 2.092 24 R HA -0.061 4.280 4.340 0.001 0.000 0.231 24 R C 2.414 178.686 176.300 -0.047 0.000 1.119 24 R CA 1.168 57.268 56.100 0.001 0.000 0.970 24 R CB -0.090 30.227 30.300 0.028 0.000 0.864 24 R HN 0.186 nan 8.270 nan 0.000 0.440 25 V N 1.178 121.025 119.914 -0.112 0.000 2.295 25 V HA -0.261 3.859 4.120 0.001 0.000 0.246 25 V C 2.241 178.359 176.094 0.040 0.000 1.049 25 V CA 1.727 63.912 62.300 -0.190 0.000 1.024 25 V CB -0.456 31.091 31.823 -0.461 0.000 0.648 25 V HN 0.294 nan 8.190 nan 0.000 0.447 26 L N 0.053 121.257 121.223 -0.033 0.000 2.012 26 L HA -0.246 4.094 4.340 0.001 0.000 0.210 26 L C 2.414 179.229 176.870 -0.091 0.000 1.073 26 L CA 2.253 57.067 54.840 -0.044 0.000 0.748 26 L CB -0.650 41.361 42.059 -0.080 0.000 0.891 26 L HN 0.423 nan 8.230 nan 0.000 0.431 27 D N -0.892 119.402 120.400 -0.177 0.000 2.123 27 D HA -0.285 4.356 4.640 0.001 0.000 0.196 27 D C 1.925 178.207 176.300 -0.030 0.000 0.992 27 D CA 1.294 55.209 54.000 -0.141 0.000 0.833 27 D CB -0.172 40.530 40.800 -0.164 0.000 0.954 27 D HN 0.354 nan 8.370 nan 0.000 0.455 28 W N 1.348 122.556 121.300 -0.153 0.000 2.333 28 W HA -0.188 4.473 4.660 0.001 0.000 0.316 28 W C 2.178 178.637 176.519 -0.100 0.000 1.215 28 W CA 2.557 59.825 57.345 -0.129 0.000 1.278 28 W CB -0.723 28.628 29.460 -0.182 0.000 1.154 28 W HN 0.021 nan 8.180 nan 0.000 0.486 29 A N 0.455 123.110 122.820 -0.275 0.000 2.019 29 A HA 0.074 4.394 4.320 0.001 0.000 0.219 29 A C 2.001 179.360 177.584 -0.375 0.000 1.164 29 A CA 1.983 53.683 52.037 -0.561 0.000 0.644 29 A CB -1.283 17.641 19.000 -0.128 0.000 0.805 29 A HN 0.519 nan 8.150 nan 0.000 0.449 30 A N -0.579 122.095 122.820 -0.244 0.000 2.238 30 A HA 0.288 4.608 4.320 0.001 0.000 0.210 30 A C 0.820 178.281 177.584 -0.205 0.000 1.179 30 A CA 0.464 52.384 52.037 -0.194 0.000 0.827 30 A CB -0.206 18.709 19.000 -0.141 0.000 0.856 30 A HN 0.490 nan 8.150 nan 0.000 0.488 31 E N -0.302 119.755 120.200 -0.238 0.000 2.415 31 E HA 0.355 4.705 4.350 0.001 0.000 0.263 31 E C 1.229 177.699 176.600 -0.216 0.000 0.995 31 E CA 1.092 57.374 56.400 -0.196 0.000 0.915 31 E CB -0.036 29.552 29.700 -0.187 0.000 0.951 31 E HN 0.747 nan 8.360 nan 0.000 0.449 32 G N 3.567 112.252 108.800 -0.190 0.000 2.225 32 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 32 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 32 G C 0.182 174.850 174.900 -0.386 0.000 0.988 32 G CA 0.323 45.280 45.100 -0.239 0.000 0.625 32 G HN 0.456 nan 8.290 nan 0.000 0.527 33 L N -0.084 120.936 121.223 -0.338 0.000 2.454 33 L HA 0.709 5.049 4.340 0.001 0.000 0.256 33 L C 0.631 177.264 176.870 -0.395 0.000 1.136 33 L CA -0.923 53.699 54.840 -0.363 0.000 0.804 33 L CB 0.903 42.828 42.059 -0.222 0.000 1.181 33 L HN 0.268 nan 8.230 nan 0.000 0.469 34 H N -0.191 118.829 119.070 -0.085 0.000 2.768 34 H HA 0.224 4.780 4.556 0.001 0.000 0.371 34 H C -0.221 175.042 175.328 -0.107 0.000 1.151 34 H CA -0.777 55.226 56.048 -0.074 0.000 1.165 34 H CB 1.370 31.114 29.762 -0.030 0.000 1.722 34 H HN 0.625 nan 8.280 nan 0.000 0.543 35 N N 0.289 119.020 118.700 0.053 0.000 2.741 35 N HA -0.185 4.555 4.740 0.001 0.000 0.250 35 N C -1.081 174.353 175.510 -0.127 0.000 1.115 35 N CA 0.951 53.995 53.050 -0.011 0.000 0.724 35 N CB -0.821 37.680 38.487 0.023 0.000 1.090 35 N HN 0.363 nan 8.380 nan 0.000 0.558 36 V N -2.840 116.929 119.914 -0.242 0.000 2.513 36 V HA 0.805 4.926 4.120 0.001 0.000 0.299 36 V C 0.353 176.362 176.094 -0.141 0.000 1.035 36 V CA -0.429 61.569 62.300 -0.503 0.000 0.889 36 V CB 2.022 33.360 31.823 -0.809 0.000 0.988 36 V HN 0.170 nan 8.190 nan 0.000 0.440 37 S N 4.167 119.908 115.700 0.067 0.000 2.448 37 S HA 0.505 4.975 4.470 0.001 0.000 0.320 37 S C 0.810 175.469 174.600 0.099 0.000 1.071 37 S CA -0.698 57.558 58.200 0.092 0.000 1.113 37 S CB 0.596 63.865 63.200 0.115 0.000 0.972 37 S HN 0.782 nan 8.310 nan 0.000 0.465 38 I N 4.177 124.768 120.570 0.035 0.000 2.208 38 I HA -0.166 4.004 4.170 0.001 0.000 0.245 38 I C 2.628 178.759 176.117 0.024 0.000 1.097 38 I CA 1.723 63.033 61.300 0.017 0.000 1.363 38 I CB -0.185 37.795 38.000 -0.034 0.000 1.051 38 I HN 0.804 nan 8.210 nan 0.000 0.413 39 S N -0.266 115.453 115.700 0.032 0.000 2.406 39 S HA -0.196 4.275 4.470 0.001 0.000 0.228 39 S C 2.000 176.579 174.600 -0.034 0.000 1.020 39 S CA 0.667 58.869 58.200 0.003 0.000 0.965 39 S CB -0.223 62.985 63.200 0.014 0.000 0.798 39 S HN 0.368 nan 8.310 nan 0.000 0.488 40 Q N 0.944 120.744 119.800 -0.001 0.000 2.096 40 Q HA -0.041 4.300 4.340 0.001 0.000 0.204 40 Q C 2.422 178.391 176.000 -0.051 0.000 0.982 40 Q CA 1.593 57.385 55.803 -0.017 0.000 0.850 40 Q CB -0.837 27.916 28.738 0.025 0.000 0.901 40 Q HN 0.568 nan 8.270 nan 0.000 0.422 41 V N 1.044 120.946 119.914 -0.019 0.000 2.307 41 V HA -0.240 3.881 4.120 0.001 0.000 0.245 41 V C 2.141 178.173 176.094 -0.103 0.000 1.045 41 V CA 1.780 64.057 62.300 -0.039 0.000 1.024 41 V CB -0.474 31.368 31.823 0.031 0.000 0.651 41 V HN 0.388 nan 8.190 nan 0.000 0.449 42 E N 0.175 120.277 120.200 -0.163 0.000 2.049 42 E HA -0.249 4.102 4.350 0.001 0.000 0.198 42 E C 2.243 178.555 176.600 -0.481 0.000 1.007 42 E CA 1.711 57.836 56.400 -0.459 0.000 0.809 42 E CB -0.325 29.088 29.700 -0.477 0.000 0.749 42 E HN 0.479 nan 8.360 nan 0.000 0.450 43 L N 0.455 121.513 121.223 -0.274 0.000 1.978 43 L HA -0.276 4.064 4.340 0.001 0.000 0.218 43 L C 2.721 179.494 176.870 -0.162 0.000 1.075 43 L CA 1.575 56.303 54.840 -0.186 0.000 0.767 43 L CB -0.514 41.475 42.059 -0.115 0.000 0.890 43 L HN 0.093 nan 8.230 nan 0.000 0.434 44 R N -0.230 120.185 120.500 -0.142 0.000 2.105 44 R HA -0.154 4.186 4.340 0.001 0.000 0.239 44 R C 2.548 178.760 176.300 -0.147 0.000 1.135 44 R CA 1.873 57.899 56.100 -0.124 0.000 0.967 44 R CB -0.252 29.981 30.300 -0.113 0.000 0.861 44 R HN 0.544 nan 8.270 nan 0.000 0.442 45 S N -1.076 114.519 115.700 -0.175 0.000 2.421 45 S HA -0.026 4.444 4.470 0.001 0.000 0.224 45 S C 1.668 175.855 174.600 -0.688 0.000 1.035 45 S CA 0.356 58.406 58.200 -0.250 0.000 0.953 45 S CB -0.382 62.778 63.200 -0.068 0.000 0.810 45 S HN 0.447 nan 8.310 nan 0.000 0.497 46 H N 0.449 119.035 119.070 -0.807 0.000 2.389 46 H HA 0.108 4.665 4.556 0.001 0.000 0.299 46 H C 1.918 176.878 175.328 -0.614 0.000 1.081 46 H CA 1.108 56.532 56.048 -1.039 0.000 1.345 46 H CB -0.100 29.433 29.762 -0.382 0.000 1.393 46 H HN 0.298 nan 8.280 nan 0.000 0.520 47 I N 1.566 122.007 120.570 -0.215 0.000 2.850 47 I HA -0.222 3.948 4.170 0.001 0.000 0.266 47 I C 1.567 177.641 176.117 -0.071 0.000 1.257 47 I CA 1.357 62.596 61.300 -0.101 0.000 1.465 47 I CB -0.148 37.810 38.000 -0.070 0.000 1.091 47 I HN 0.230 nan 8.210 nan 0.000 0.467 48 Q N -0.952 118.761 119.800 -0.146 0.000 2.356 48 Q HA 0.102 4.442 4.340 0.001 0.000 0.205 48 Q C -0.148 175.993 176.000 0.236 0.000 0.901 48 Q CA -0.183 55.636 55.803 0.027 0.000 0.938 48 Q CB 0.233 28.985 28.738 0.022 0.000 1.081 48 Q HN 0.225 nan 8.270 nan 0.000 0.517 49 F N 1.318 121.298 119.950 0.050 0.000 2.418 49 F HA 0.194 4.721 4.527 0.001 0.000 0.341 49 F C 0.096 175.924 175.800 0.047 0.000 1.120 49 F CA -1.408 56.560 58.000 -0.053 0.000 1.232 49 F CB -0.055 38.859 39.000 -0.143 0.000 1.175 49 F HN -0.029 nan 8.300 nan 0.000 0.569 50 Y N -1.479 118.921 120.300 0.167 0.000 2.524 50 Y HA 0.379 4.930 4.550 0.001 0.000 0.347 50 Y C -0.479 175.439 175.900 0.031 0.000 1.005 50 Y CA -1.767 56.380 58.100 0.079 0.000 1.025 50 Y CB 0.598 39.093 38.460 0.058 0.000 1.275 50 Y HN 0.543 nan 8.280 nan 0.000 0.460 51 D N 1.761 122.254 120.400 0.155 0.000 2.520 51 D HA 0.246 4.887 4.640 0.001 0.000 0.243 51 D C 1.118 177.472 176.300 0.091 0.000 1.160 51 D CA 2.783 56.823 54.000 0.065 0.000 0.877 51 D CB 0.623 41.467 40.800 0.073 0.000 1.150 51 D HN 1.147 nan 8.370 nan 0.000 0.494 52 G N 3.870 112.655 108.800 -0.025 0.000 2.176 52 G HA2 -0.275 3.685 3.960 0.001 0.000 0.232 52 G HA3 -0.275 3.685 3.960 0.001 0.000 0.232 52 G C 0.733 175.571 174.900 -0.102 0.000 0.986 52 G CA -0.000 45.094 45.100 -0.009 0.000 0.643 52 G HN 0.643 nan 8.290 nan 0.000 0.522 53 I N 2.557 122.880 120.570 -0.412 0.000 2.821 53 I HA 0.225 4.396 4.170 0.001 0.000 0.294 53 I C 1.295 177.218 176.117 -0.323 0.000 1.210 53 I CA -0.038 60.862 61.300 -0.667 0.000 1.430 53 I CB 0.291 37.639 38.000 -1.088 0.000 1.356 53 I HN 0.368 nan 8.210 nan 0.000 0.563 54 K N 4.549 124.844 120.400 -0.174 0.000 2.180 54 K HA 0.127 4.447 4.320 0.001 0.000 0.251 54 K C 0.617 177.132 176.600 -0.141 0.000 1.014 54 K CA -0.656 55.567 56.287 -0.108 0.000 0.913 54 K CB 0.599 33.086 32.500 -0.022 0.000 1.008 54 K HN 0.542 nan 8.250 nan 0.000 0.490 55 T N 0.275 114.776 114.554 -0.089 0.000 2.904 55 T HA -0.119 4.231 4.350 0.001 0.000 0.267 55 T C 1.927 176.613 174.700 -0.023 0.000 1.059 55 T CA 1.800 63.835 62.100 -0.108 0.000 1.137 55 T CB -0.283 68.570 68.868 -0.025 0.000 0.879 55 T HN 0.793 nan 8.240 nan 0.000 0.467 56 S N 0.740 116.509 115.700 0.115 0.000 2.428 56 S HA -0.060 4.411 4.470 0.001 0.000 0.230 56 S C 1.601 176.256 174.600 0.091 0.000 1.014 56 S CA 0.746 59.106 58.200 0.267 0.000 0.957 56 S CB -0.185 63.180 63.200 0.275 0.000 0.784 56 S HN 0.373 nan 8.310 nan 0.000 0.499 57 D N 1.651 122.055 120.400 0.008 0.000 2.234 57 D HA 0.162 4.802 4.640 0.001 0.000 0.205 57 D C 1.880 178.146 176.300 -0.057 0.000 0.962 57 D CA 0.573 54.569 54.000 -0.007 0.000 0.855 57 D CB -0.210 40.598 40.800 0.014 0.000 0.951 57 D HN 0.428 nan 8.370 nan 0.000 0.500 58 I N 0.509 120.948 120.570 -0.219 0.000 2.226 58 I HA -0.290 3.881 4.170 0.001 0.000 0.245 58 I C 2.123 178.164 176.117 -0.128 0.000 1.100 58 I CA 1.220 62.324 61.300 -0.326 0.000 1.374 58 I CB -0.335 37.265 38.000 -0.667 0.000 1.057 58 I HN 0.091 nan 8.210 nan 0.000 0.413 59 H N 0.760 119.784 119.070 -0.077 0.000 2.290 59 H HA -0.157 4.399 4.556 0.001 0.000 0.298 59 H C 2.237 177.467 175.328 -0.162 0.000 1.087 59 H CA 1.580 57.551 56.048 -0.129 0.000 1.291 59 H CB 0.058 29.636 29.762 -0.308 0.000 1.369 59 H HN 0.298 nan 8.280 nan 0.000 0.492 60 E N 0.119 120.279 120.200 -0.068 0.000 2.153 60 E HA -0.133 4.217 4.350 0.001 0.000 0.194 60 E C 2.138 178.772 176.600 0.057 0.000 0.988 60 E CA 1.389 57.779 56.400 -0.016 0.000 0.811 60 E CB -0.408 29.303 29.700 0.019 0.000 0.746 60 E HN 0.495 nan 8.360 nan 0.000 0.466 61 T N 2.586 117.199 114.554 0.099 0.000 2.701 61 T HA -0.111 4.240 4.350 0.001 0.000 0.263 61 T C 2.241 177.009 174.700 0.114 0.000 1.040 61 T CA 1.506 63.690 62.100 0.140 0.000 1.147 61 T CB -0.352 68.688 68.868 0.286 0.000 0.865 61 T HN 0.387 nan 8.240 nan 0.000 0.426 62 I N -0.510 120.151 120.570 0.152 0.000 2.315 62 I HA -0.039 4.131 4.170 0.001 0.000 0.248 62 I C 2.183 178.339 176.117 0.064 0.000 1.117 62 I CA 1.349 62.722 61.300 0.123 0.000 1.404 62 I CB -0.628 37.475 38.000 0.172 0.000 1.071 62 I HN 0.143 nan 8.210 nan 0.000 0.419 63 I N 1.649 122.261 120.570 0.070 0.000 2.099 63 I HA -0.304 3.866 4.170 0.001 0.000 0.239 63 I C 2.805 178.875 176.117 -0.079 0.000 1.066 63 I CA 2.016 63.334 61.300 0.030 0.000 1.324 63 I CB -0.464 37.597 38.000 0.103 0.000 1.037 63 I HN 0.237 nan 8.210 nan 0.000 0.401 64 K N 1.065 121.446 120.400 -0.031 0.000 2.103 64 K HA -0.214 4.106 4.320 0.001 0.000 0.207 64 K C 2.133 178.671 176.600 -0.104 0.000 1.048 64 K CA 1.525 57.774 56.287 -0.062 0.000 0.930 64 K CB -0.149 32.354 32.500 0.005 0.000 0.716 64 K HN 0.339 nan 8.250 nan 0.000 0.444 65 A N 0.955 123.731 122.820 -0.072 0.000 1.883 65 A HA -0.141 4.180 4.320 0.001 0.000 0.217 65 A C 2.365 179.857 177.584 -0.154 0.000 1.186 65 A CA 2.018 53.996 52.037 -0.097 0.000 0.624 65 A CB -1.027 17.935 19.000 -0.063 0.000 0.822 65 A HN 0.484 nan 8.150 nan 0.000 0.444 66 A N -0.241 122.507 122.820 -0.119 0.000 1.902 66 A HA 0.152 4.472 4.320 0.001 0.000 0.217 66 A C 2.524 179.972 177.584 -0.226 0.000 1.181 66 A CA 2.200 54.174 52.037 -0.105 0.000 0.623 66 A CB -1.078 17.926 19.000 0.007 0.000 0.818 66 A HN 1.118 nan 8.150 nan 0.000 0.443 67 A N 0.046 122.666 122.820 -0.333 0.000 1.908 67 A HA -0.203 4.117 4.320 0.001 0.000 0.218 67 A C 1.666 179.091 177.584 -0.266 0.000 1.181 67 A CA 1.905 53.670 52.037 -0.454 0.000 0.627 67 A CB -0.643 17.929 19.000 -0.713 0.000 0.818 67 A HN 0.438 nan 8.150 nan 0.000 0.445 68 D N -0.390 119.875 120.400 -0.226 0.000 2.351 68 D HA -0.033 4.607 4.640 0.001 0.000 0.216 68 D C 1.205 177.359 176.300 -0.244 0.000 0.968 68 D CA 0.730 54.621 54.000 -0.183 0.000 0.899 68 D CB -0.122 40.591 40.800 -0.146 0.000 0.907 68 D HN 0.480 nan 8.370 nan 0.000 0.514 69 L N 0.274 121.255 121.223 -0.403 0.000 2.700 69 L HA 0.241 4.581 4.340 0.001 0.000 0.234 69 L C 0.546 177.184 176.870 -0.387 0.000 1.156 69 L CA -0.255 54.237 54.840 -0.581 0.000 0.946 69 L CB 0.297 41.595 42.059 -1.268 0.000 1.216 69 L HN -0.169 nan 8.230 nan 0.000 0.493 70 I N 0.780 121.241 120.570 -0.180 0.000 2.598 70 I HA 0.037 4.207 4.170 0.001 0.000 0.284 70 I C 0.619 176.713 176.117 -0.038 0.000 1.140 70 I CA 0.595 61.882 61.300 -0.023 0.000 1.420 70 I CB 0.529 38.517 38.000 -0.020 0.000 1.387 70 I HN 0.248 nan 8.210 nan 0.000 0.553 71 S N 5.469 121.165 115.700 -0.007 0.000 2.615 71 S HA 0.413 4.884 4.470 0.001 0.000 0.269 71 S C 0.640 175.173 174.600 -0.113 0.000 1.161 71 S CA -1.159 57.005 58.200 -0.059 0.000 0.817 71 S CB 1.541 64.713 63.200 -0.047 0.000 1.131 71 S HN 0.685 nan 8.310 nan 0.000 0.467 72 R N 0.818 121.174 120.500 -0.240 0.000 2.127 72 R HA -0.096 4.245 4.340 0.001 0.000 0.238 72 R C 0.425 176.595 176.300 -0.218 0.000 1.134 72 R CA 1.790 57.581 56.100 -0.514 0.000 0.975 72 R CB -0.912 28.869 30.300 -0.865 0.000 0.865 72 R HN 0.656 nan 8.270 nan 0.000 0.447 73 D N 1.061 121.413 120.400 -0.080 0.000 2.234 73 D HA 0.032 4.673 4.640 0.001 0.000 0.205 73 D C 0.365 176.697 176.300 0.053 0.000 0.962 73 D CA 1.114 55.121 54.000 0.012 0.000 0.855 73 D CB 0.337 41.142 40.800 0.008 0.000 0.951 73 D HN 0.350 nan 8.370 nan 0.000 0.500 74 A N 1.552 124.417 122.820 0.075 0.000 3.204 74 A HA 0.315 4.635 4.320 0.001 0.000 0.327 74 A C -1.858 175.810 177.584 0.140 0.000 0.998 74 A CA -0.926 51.192 52.037 0.135 0.000 0.891 74 A CB 0.894 20.071 19.000 0.295 0.000 1.061 74 A HN -0.114 nan 8.150 nan 0.000 0.478 75 P HA -0.055 nan 4.420 nan 0.000 0.229 75 P C 0.172 177.524 177.300 0.086 0.000 1.160 75 P CA 0.869 64.013 63.100 0.072 0.000 0.777 75 P CB 0.329 32.080 31.700 0.086 0.000 0.814 76 D N -1.205 119.235 120.400 0.067 0.000 2.392 76 D HA -0.101 4.539 4.640 0.001 0.000 0.228 76 D C 1.377 177.651 176.300 -0.043 0.000 1.003 76 D CA 0.644 54.680 54.000 0.060 0.000 0.917 76 D CB -0.740 40.049 40.800 -0.018 0.000 0.890 76 D HN 0.201 nan 8.370 nan 0.000 0.532 77 Y N 1.058 121.359 120.300 0.002 0.000 2.421 77 Y HA -0.096 4.454 4.550 0.001 0.000 0.292 77 Y C 2.275 178.121 175.900 -0.090 0.000 1.136 77 Y CA 0.764 58.836 58.100 -0.047 0.000 1.255 77 Y CB -0.176 38.242 38.460 -0.070 0.000 0.991 77 Y HN 0.079 nan 8.280 nan 0.000 0.552 78 Q N -1.274 118.529 119.800 0.006 0.000 2.096 78 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 78 Q C 1.581 177.455 176.000 -0.209 0.000 0.982 78 Q CA 1.982 57.693 55.803 -0.153 0.000 0.850 78 Q CB -0.381 28.117 28.738 -0.400 0.000 0.901 78 Q HN 0.562 nan 8.270 nan 0.000 0.422 79 Y N -0.170 120.167 120.300 0.062 0.000 2.314 79 Y HA -0.117 4.434 4.550 0.001 0.000 0.294 79 Y C 2.015 177.921 175.900 0.011 0.000 1.119 79 Y CA 0.391 58.514 58.100 0.038 0.000 1.179 79 Y CB -0.337 38.113 38.460 -0.017 0.000 1.025 79 Y HN 0.079 nan 8.280 nan 0.000 0.541 80 L N 0.301 121.577 121.223 0.089 0.000 1.989 80 L HA -0.209 4.131 4.340 0.001 0.000 0.211 80 L C 2.424 179.338 176.870 0.073 0.000 1.071 80 L CA 2.140 57.001 54.840 0.035 0.000 0.749 80 L CB -0.974 41.095 42.059 0.016 0.000 0.890 80 L HN 0.156 nan 8.230 nan 0.000 0.431 81 A N -0.688 122.161 122.820 0.049 0.000 1.902 81 A HA -0.119 4.201 4.320 0.001 0.000 0.217 81 A C 2.450 180.153 177.584 0.199 0.000 1.181 81 A CA 1.849 53.872 52.037 -0.022 0.000 0.623 81 A CB -1.233 17.504 19.000 -0.439 0.000 0.818 81 A HN 0.594 nan 8.150 nan 0.000 0.443 82 A N 0.014 122.996 122.820 0.270 0.000 1.873 82 A HA -0.233 4.087 4.320 0.001 0.000 0.218 82 A C 2.256 180.040 177.584 0.332 0.000 1.193 82 A CA 1.878 54.123 52.037 0.346 0.000 0.629 82 A CB -0.519 18.663 19.000 0.303 0.000 0.826 82 A HN 0.564 nan 8.150 nan 0.000 0.447 83 R N -0.589 120.075 120.500 0.273 0.000 2.081 83 R HA -0.006 4.334 4.340 0.001 0.000 0.235 83 R C 2.133 178.720 176.300 0.478 0.000 1.131 83 R CA 1.402 57.678 56.100 0.294 0.000 0.960 83 R CB -0.546 29.724 30.300 -0.050 0.000 0.856 83 R HN 0.527 nan 8.270 nan 0.000 0.436 84 L N 0.195 121.636 121.223 0.363 0.000 2.012 84 L HA -0.221 4.120 4.340 0.001 0.000 0.210 84 L C 2.689 179.813 176.870 0.423 0.000 1.073 84 L CA 1.456 56.529 54.840 0.388 0.000 0.748 84 L CB -0.669 41.535 42.059 0.242 0.000 0.891 84 L HN 0.284 nan 8.230 nan 0.000 0.431 85 A N 0.100 123.143 122.820 0.372 0.000 1.902 85 A HA -0.179 4.141 4.320 0.001 0.000 0.217 85 A C 2.218 179.998 177.584 0.328 0.000 1.181 85 A CA 1.346 53.596 52.037 0.355 0.000 0.623 85 A CB -0.508 18.703 19.000 0.351 0.000 0.818 85 A HN 0.257 nan 8.150 nan 0.000 0.443 86 I N -1.280 119.500 120.570 0.351 0.000 2.127 86 I HA -0.247 3.924 4.170 0.001 0.000 0.241 86 I C 2.371 178.702 176.117 0.356 0.000 1.075 86 I CA 1.715 63.210 61.300 0.326 0.000 1.334 86 I CB -1.417 36.838 38.000 0.425 0.000 1.040 86 I HN 0.487 nan 8.210 nan 0.000 0.405 87 F N 1.509 121.689 119.950 0.383 0.000 2.091 87 F HA -0.341 4.186 4.527 0.001 0.000 0.299 87 F C 2.845 178.717 175.800 0.120 0.000 1.103 87 F CA 2.418 60.613 58.000 0.325 0.000 1.228 87 F CB -0.606 38.538 39.000 0.240 0.000 0.984 87 F HN 0.198 nan 8.300 nan 0.000 0.477 88 H N 0.361 119.508 119.070 0.128 0.000 2.319 88 H HA -0.190 4.367 4.556 0.001 0.000 0.297 88 H C 2.062 177.272 175.328 -0.196 0.000 1.097 88 H CA 2.622 58.567 56.048 -0.172 0.000 1.285 88 H CB -0.651 29.089 29.762 -0.036 0.000 1.368 88 H HN 0.390 nan 8.280 nan 0.000 0.495 89 L N -0.372 120.741 121.223 -0.184 0.000 2.141 89 L HA -0.137 4.203 4.340 0.001 0.000 0.209 89 L C 2.783 179.430 176.870 -0.372 0.000 1.094 89 L CA 0.840 55.502 54.840 -0.296 0.000 0.763 89 L CB -0.322 41.643 42.059 -0.156 0.000 0.908 89 L HN 0.212 nan 8.230 nan 0.000 0.437 90 R N 0.743 121.058 120.500 -0.308 0.000 2.082 90 R HA -0.168 4.173 4.340 0.001 0.000 0.234 90 R C 2.205 178.269 176.300 -0.394 0.000 1.136 90 R CA 1.454 57.335 56.100 -0.365 0.000 0.935 90 R CB -0.657 29.472 30.300 -0.285 0.000 0.842 90 R HN 0.388 nan 8.270 nan 0.000 0.430 91 K N 0.873 121.029 120.400 -0.407 0.000 2.063 91 K HA -0.151 4.170 4.320 0.001 0.000 0.208 91 K C 2.197 178.621 176.600 -0.292 0.000 1.048 91 K CA 1.402 57.490 56.287 -0.331 0.000 0.928 91 K CB -0.133 32.152 32.500 -0.359 0.000 0.713 91 K HN 0.127 nan 8.250 nan 0.000 0.442 92 K N -0.088 120.076 120.400 -0.393 0.000 2.152 92 K HA -0.144 4.177 4.320 0.001 0.000 0.206 92 K C 1.905 178.325 176.600 -0.300 0.000 1.048 92 K CA 1.386 57.463 56.287 -0.351 0.000 0.933 92 K CB 0.021 32.252 32.500 -0.449 0.000 0.721 92 K HN 0.164 nan 8.250 nan 0.000 0.447 93 A N -0.769 121.794 122.820 -0.429 0.000 2.014 93 A HA 0.036 4.357 4.320 0.001 0.000 0.210 93 A C 0.947 178.339 177.584 -0.320 0.000 1.188 93 A CA 0.500 52.244 52.037 -0.488 0.000 0.731 93 A CB 0.126 18.601 19.000 -0.876 0.000 0.858 93 A HN 0.235 nan 8.150 nan 0.000 0.464 94 Y N -1.613 118.642 120.300 -0.075 0.000 2.471 94 Y HA 0.406 4.956 4.550 0.001 0.000 0.249 94 Y C 1.719 177.577 175.900 -0.069 0.000 1.116 94 Y CA -0.552 57.512 58.100 -0.060 0.000 1.240 94 Y CB -0.060 38.339 38.460 -0.101 0.000 1.251 94 Y HN 0.382 nan 8.280 nan 0.000 0.527 95 G N 1.055 109.866 108.800 0.018 0.000 2.168 95 G HA2 -0.251 3.709 3.960 0.001 0.000 0.263 95 G HA3 -0.251 3.709 3.960 0.001 0.000 0.263 95 G C 0.084 174.975 174.900 -0.016 0.000 0.977 95 G CA 0.724 45.820 45.100 -0.008 0.000 0.659 95 G HN 0.522 nan 8.290 nan 0.000 0.533 96 Q N -3.057 116.731 119.800 -0.019 0.000 2.782 96 Q HA 0.666 5.007 4.340 0.001 0.000 0.308 96 Q C 0.465 176.428 176.000 -0.061 0.000 0.883 96 Q CA -0.623 55.159 55.803 -0.034 0.000 0.755 96 Q CB 0.149 28.892 28.738 0.007 0.000 1.454 96 Q HN 0.515 nan 8.270 nan 0.000 0.452 97 F N 0.802 120.623 119.950 -0.217 0.000 2.187 97 F HA 0.197 4.724 4.527 0.001 0.000 0.295 97 F C 0.672 176.402 175.800 -0.116 0.000 1.091 97 F CA 0.852 58.705 58.000 -0.246 0.000 1.308 97 F CB 0.461 39.315 39.000 -0.243 0.000 1.030 97 F HN 0.529 nan 8.300 nan 0.000 0.487 98 E N 3.154 123.276 120.200 -0.130 0.000 2.351 98 E HA 0.073 4.424 4.350 0.001 0.000 0.266 98 E C -2.229 174.149 176.600 -0.369 0.000 1.031 98 E CA -1.686 54.568 56.400 -0.244 0.000 0.911 98 E CB 0.349 30.008 29.700 -0.067 0.000 0.986 98 E HN 0.121 nan 8.360 nan 0.000 0.446 99 P HA 0.076 nan 4.420 nan 0.000 0.272 99 P C -2.284 174.713 177.300 -0.505 0.000 1.223 99 P CA -0.951 61.586 63.100 -0.939 0.000 0.784 99 P CB -0.064 30.869 31.700 -1.278 0.000 0.923 100 P HA 0.069 nan 4.420 nan 0.000 0.272 100 P C -0.571 176.729 177.300 0.001 0.000 1.254 100 P CA -0.194 62.807 63.100 -0.165 0.000 0.795 100 P CB 0.263 31.882 31.700 -0.135 0.000 1.022 101 A N 0.609 123.439 122.820 0.016 0.000 2.498 101 A HA 0.007 4.327 4.320 0.001 0.000 0.239 101 A C 1.443 179.042 177.584 0.026 0.000 1.068 101 A CA -0.337 51.737 52.037 0.063 0.000 0.766 101 A CB -0.642 18.386 19.000 0.048 0.000 1.003 101 A HN 0.638 nan 8.150 nan 0.000 0.497 102 L N 2.437 123.694 121.223 0.057 0.000 2.013 102 L HA -0.217 4.123 4.340 0.001 0.000 0.212 102 L C 2.041 178.804 176.870 -0.177 0.000 1.073 102 L CA 2.663 57.440 54.840 -0.106 0.000 0.753 102 L CB -1.034 41.071 42.059 0.076 0.000 0.890 102 L HN 0.866 nan 8.230 nan 0.000 0.432 103 Y N 0.605 120.782 120.300 -0.205 0.000 2.128 103 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 103 Y C 2.308 178.016 175.900 -0.321 0.000 1.154 103 Y CA 2.172 60.047 58.100 -0.375 0.000 1.149 103 Y CB -0.447 37.893 38.460 -0.199 0.000 0.976 103 Y HN 0.358 nan 8.280 nan 0.000 0.505 104 D N -1.450 118.840 120.400 -0.183 0.000 2.149 104 D HA -0.206 4.434 4.640 0.001 0.000 0.198 104 D C 1.978 178.116 176.300 -0.270 0.000 0.990 104 D CA 1.883 55.755 54.000 -0.215 0.000 0.839 104 D CB -0.567 40.187 40.800 -0.077 0.000 0.948 104 D HN 0.546 nan 8.370 nan 0.000 0.460 105 H N 0.509 119.366 119.070 -0.355 0.000 2.299 105 H HA -0.033 4.523 4.556 0.001 0.000 0.302 105 H C 1.944 177.047 175.328 -0.376 0.000 1.078 105 H CA 1.446 57.273 56.048 -0.369 0.000 1.323 105 H CB -0.272 29.135 29.762 -0.591 0.000 1.381 105 H HN -0.097 nan 8.280 nan 0.000 0.498 106 V N -0.080 119.521 119.914 -0.522 0.000 2.343 106 V HA -0.240 3.880 4.120 0.001 0.000 0.247 106 V C 2.644 178.436 176.094 -0.502 0.000 1.051 106 V CA 1.518 63.553 62.300 -0.442 0.000 1.036 106 V CB -0.678 30.819 31.823 -0.543 0.000 0.654 106 V HN 0.329 nan 8.190 nan 0.000 0.451 107 V N -0.087 119.443 119.914 -0.640 0.000 2.287 107 V HA -0.324 3.796 4.120 0.001 0.000 0.248 107 V C 2.454 178.316 176.094 -0.387 0.000 1.053 107 V CA 2.485 64.463 62.300 -0.537 0.000 1.027 107 V CB -0.669 30.788 31.823 -0.609 0.000 0.646 107 V HN 0.547 nan 8.190 nan 0.000 0.447 108 K N -0.780 119.386 120.400 -0.390 0.000 2.103 108 K HA -0.190 4.131 4.320 0.001 0.000 0.207 108 K C 2.168 178.522 176.600 -0.410 0.000 1.048 108 K CA 1.537 57.621 56.287 -0.338 0.000 0.930 108 K CB -0.097 32.229 32.500 -0.291 0.000 0.716 108 K HN 0.263 nan 8.250 nan 0.000 0.444 109 M N 0.257 119.513 119.600 -0.572 0.000 2.254 109 M HA -0.091 4.389 4.480 0.001 0.000 0.265 109 M C 2.144 178.188 176.300 -0.427 0.000 1.066 109 M CA 0.914 55.794 55.300 -0.700 0.000 1.123 109 M CB -0.363 31.404 32.600 -1.388 0.000 1.388 109 M HN -0.004 nan 8.290 nan 0.000 0.425 110 V N 0.161 119.901 119.914 -0.290 0.000 2.358 110 V HA -0.223 3.898 4.120 0.001 0.000 0.246 110 V C 2.201 178.197 176.094 -0.163 0.000 1.047 110 V CA 1.624 63.828 62.300 -0.160 0.000 1.035 110 V CB -0.701 31.048 31.823 -0.124 0.000 0.658 110 V HN 0.364 nan 8.190 nan 0.000 0.452 111 E N -0.049 120.033 120.200 -0.196 0.000 2.049 111 E HA -0.250 4.100 4.350 0.001 0.000 0.198 111 E C 2.089 178.587 176.600 -0.169 0.000 1.007 111 E CA 1.848 58.149 56.400 -0.166 0.000 0.809 111 E CB -0.290 29.306 29.700 -0.172 0.000 0.749 111 E HN 0.522 nan 8.360 nan 0.000 0.450 112 M N -1.406 118.055 119.600 -0.233 0.000 2.619 112 M HA 0.095 4.576 4.480 0.001 0.000 0.251 112 M C 1.074 177.249 176.300 -0.209 0.000 1.106 112 M CA 0.842 55.992 55.300 -0.250 0.000 1.086 112 M CB 0.514 32.879 32.600 -0.392 0.000 1.465 112 M HN 0.307 nan 8.290 nan 0.000 0.506 113 G N 0.453 109.148 108.800 -0.174 0.000 2.137 113 G HA2 -0.222 3.739 3.960 0.001 0.000 0.237 113 G HA3 -0.222 3.739 3.960 0.001 0.000 0.237 113 G C 0.837 175.685 174.900 -0.087 0.000 1.002 113 G CA 0.163 45.202 45.100 -0.103 0.000 0.702 113 G HN 0.316 nan 8.290 nan 0.000 0.515 114 K N -1.128 119.174 120.400 -0.163 0.000 2.334 114 K HA 0.247 4.567 4.320 0.001 0.000 0.195 114 K C 0.377 177.028 176.600 0.085 0.000 1.045 114 K CA 0.481 56.698 56.287 -0.117 0.000 1.004 114 K CB 0.348 32.656 32.500 -0.319 0.000 0.837 114 K HN 0.437 nan 8.250 nan 0.000 0.510 115 Y N 1.130 121.381 120.300 -0.081 0.000 2.487 115 Y HA 0.244 4.794 4.550 0.001 0.000 0.337 115 Y C 0.423 176.305 175.900 -0.030 0.000 1.076 115 Y CA -2.479 55.593 58.100 -0.047 0.000 1.115 115 Y CB 0.688 39.086 38.460 -0.102 0.000 1.235 115 Y HN -0.077 nan 8.280 nan 0.000 0.468 116 D N 1.786 122.293 120.400 0.178 0.000 2.424 116 D HA -0.062 4.579 4.640 0.001 0.000 0.244 116 D C 0.880 177.221 176.300 0.067 0.000 1.134 116 D CA 0.126 54.204 54.000 0.131 0.000 0.881 116 D CB 0.816 41.745 40.800 0.215 0.000 1.191 116 D HN 0.775 nan 8.370 nan 0.000 0.445 117 N N 3.074 121.820 118.700 0.078 0.000 2.515 117 N HA -0.217 4.523 4.740 0.001 0.000 0.185 117 N C 1.441 177.008 175.510 0.096 0.000 1.109 117 N CA 0.568 53.653 53.050 0.058 0.000 0.903 117 N CB -0.391 38.123 38.487 0.044 0.000 0.969 117 N HN 0.604 nan 8.380 nan 0.000 0.450 118 H N 0.635 119.775 119.070 0.116 0.000 2.457 118 H HA 0.070 4.626 4.556 0.001 0.000 0.294 118 H C 2.122 177.572 175.328 0.204 0.000 1.064 118 H CA 0.736 56.864 56.048 0.133 0.000 1.330 118 H CB -0.501 29.332 29.762 0.118 0.000 1.395 118 H HN 0.092 nan 8.280 nan 0.000 0.541 119 L N -0.078 120.941 121.223 -0.341 0.000 2.042 119 L HA -0.173 4.168 4.340 0.001 0.000 0.210 119 L C 2.369 179.479 176.870 0.401 0.000 1.076 119 L CA 1.346 56.197 54.840 0.019 0.000 0.749 119 L CB -0.290 41.774 42.059 0.008 0.000 0.893 119 L HN 0.370 nan 8.230 nan 0.000 0.432 120 L N -1.272 120.111 121.223 0.268 0.000 2.179 120 L HA -0.121 4.219 4.340 0.001 0.000 0.208 120 L C 2.389 179.430 176.870 0.285 0.000 1.096 120 L CA 0.705 55.736 54.840 0.318 0.000 0.779 120 L CB -0.317 41.804 42.059 0.103 0.000 0.922 120 L HN 0.236 nan 8.230 nan 0.000 0.443 121 E N 0.292 120.616 120.200 0.206 0.000 2.051 121 E HA -0.216 4.134 4.350 0.001 0.000 0.192 121 E C 1.444 178.130 176.600 0.143 0.000 0.991 121 E CA 1.433 57.931 56.400 0.163 0.000 0.799 121 E CB 0.052 29.843 29.700 0.152 0.000 0.748 121 E HN 0.434 nan 8.360 nan 0.000 0.449 122 D N -1.115 119.381 120.400 0.160 0.000 2.317 122 D HA -0.021 4.620 4.640 0.001 0.000 0.211 122 D C -0.272 175.865 176.300 -0.273 0.000 0.966 122 D CA 0.894 54.871 54.000 -0.039 0.000 0.876 122 D CB 0.185 40.972 40.800 -0.021 0.000 0.927 122 D HN 0.143 nan 8.370 nan 0.000 0.519 123 Y N -0.481 119.866 120.300 0.078 0.000 2.512 123 Y HA 0.294 4.844 4.550 0.001 0.000 0.348 123 Y C 0.755 176.735 175.900 0.134 0.000 0.990 123 Y CA -1.230 56.848 58.100 -0.036 0.000 1.033 123 Y CB 1.640 39.819 38.460 -0.467 0.000 1.259 123 Y HN -0.321 nan 8.280 nan 0.000 0.461 124 T N -2.638 112.046 114.554 0.216 0.000 2.902 124 T HA 0.193 4.544 4.350 0.001 0.000 0.280 124 T C 1.003 175.826 174.700 0.205 0.000 0.992 124 T CA -0.574 61.633 62.100 0.179 0.000 1.015 124 T CB 1.498 70.403 68.868 0.061 0.000 1.044 124 T HN 0.872 nan 8.240 nan 0.000 0.520 125 E N 0.484 120.659 120.200 -0.042 0.000 2.130 125 E HA -0.254 4.096 4.350 0.001 0.000 0.196 125 E C 1.731 178.242 176.600 -0.148 0.000 0.998 125 E CA 1.830 57.981 56.400 -0.414 0.000 0.806 125 E CB -0.096 29.103 29.700 -0.835 0.000 0.738 125 E HN 0.848 nan 8.360 nan 0.000 0.459 126 E N 0.464 120.611 120.200 -0.088 0.000 2.058 126 E HA -0.217 4.134 4.350 0.001 0.000 0.194 126 E C 2.072 178.642 176.600 -0.050 0.000 0.997 126 E CA 1.596 57.958 56.400 -0.064 0.000 0.801 126 E CB -0.087 29.588 29.700 -0.043 0.000 0.746 126 E HN 0.344 nan 8.360 nan 0.000 0.450 127 E N -0.055 120.129 120.200 -0.026 0.000 2.077 127 E HA -0.158 4.193 4.350 0.001 0.000 0.193 127 E C 1.826 178.315 176.600 -0.186 0.000 0.989 127 E CA 0.865 57.220 56.400 -0.075 0.000 0.800 127 E CB -0.156 29.553 29.700 0.014 0.000 0.746 127 E HN 0.185 nan 8.360 nan 0.000 0.452 128 F N 1.477 121.391 119.950 -0.059 0.000 2.134 128 F HA -0.161 4.367 4.527 0.001 0.000 0.299 128 F C 2.308 178.034 175.800 -0.124 0.000 1.097 128 F CA 1.141 59.095 58.000 -0.076 0.000 1.264 128 F CB -0.157 38.904 39.000 0.101 0.000 1.001 128 F HN -0.135 nan 8.300 nan 0.000 0.479 129 K N -0.042 120.393 120.400 0.058 0.000 2.063 129 K HA -0.266 4.055 4.320 0.001 0.000 0.208 129 K C 2.181 178.690 176.600 -0.151 0.000 1.048 129 K CA 1.695 57.960 56.287 -0.037 0.000 0.928 129 K CB -0.305 32.161 32.500 -0.057 0.000 0.713 129 K HN 0.377 nan 8.250 nan 0.000 0.442 130 Q N 0.092 119.754 119.800 -0.229 0.000 2.046 130 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 130 Q C 2.168 177.635 176.000 -0.889 0.000 0.975 130 Q CA 1.278 56.830 55.803 -0.419 0.000 0.836 130 Q CB 0.064 28.609 28.738 -0.321 0.000 0.896 130 Q HN 0.304 nan 8.270 nan 0.000 0.428 131 M N 0.406 119.536 119.600 -0.784 0.000 2.144 131 M HA -0.214 4.266 4.480 0.001 0.000 0.260 131 M C 1.632 177.609 176.300 -0.538 0.000 1.067 131 M CA 1.271 56.068 55.300 -0.838 0.000 1.095 131 M CB -0.324 32.048 32.600 -0.380 0.000 1.365 131 M HN 0.141 nan 8.290 nan 0.000 0.406 132 D N 0.046 120.274 120.400 -0.286 0.000 2.218 132 D HA -0.123 4.518 4.640 0.001 0.000 0.204 132 D C 1.947 178.156 176.300 -0.153 0.000 0.976 132 D CA 1.770 55.697 54.000 -0.122 0.000 0.853 132 D CB 0.002 40.796 40.800 -0.010 0.000 0.939 132 D HN 0.452 nan 8.370 nan 0.000 0.481 133 T N -2.556 111.844 114.554 -0.257 0.000 3.067 133 T HA -0.054 4.296 4.350 0.001 0.000 0.261 133 T C 1.788 176.494 174.700 0.010 0.000 1.110 133 T CA 0.232 62.255 62.100 -0.129 0.000 1.113 133 T CB -0.444 68.356 68.868 -0.113 0.000 0.917 133 T HN -0.083 nan 8.240 nan 0.000 0.499 134 F N 1.840 121.729 119.950 -0.102 0.000 2.206 134 F HA 0.412 4.940 4.527 0.001 0.000 0.298 134 F C 1.355 177.058 175.800 -0.163 0.000 1.090 134 F CA -1.497 56.432 58.000 -0.118 0.000 1.323 134 F CB -0.967 37.928 39.000 -0.176 0.000 1.028 134 F HN 0.172 nan 8.300 nan 0.000 0.492 135 I N 1.819 122.300 120.570 -0.147 0.000 2.752 135 I HA -0.091 4.079 4.170 0.001 0.000 0.289 135 I C 0.009 176.072 176.117 -0.090 0.000 1.197 135 I CA 0.463 61.590 61.300 -0.288 0.000 1.432 135 I CB 0.069 37.836 38.000 -0.388 0.000 1.359 135 I HN -0.038 nan 8.210 nan 0.000 0.571 136 D N 5.973 126.398 120.400 0.040 0.000 2.454 136 D HA 0.155 4.795 4.640 0.001 0.000 0.247 136 D C 0.852 177.158 176.300 0.010 0.000 1.129 136 D CA -0.375 53.643 54.000 0.030 0.000 0.877 136 D CB 0.595 41.442 40.800 0.078 0.000 1.082 136 D HN 0.390 nan 8.370 nan 0.000 0.537 137 H N 1.952 121.062 119.070 0.066 0.000 2.545 137 H HA -0.039 4.518 4.556 0.001 0.000 0.282 137 H C 0.446 175.834 175.328 0.100 0.000 1.020 137 H CA 0.648 56.713 56.048 0.028 0.000 1.243 137 H CB 0.537 30.243 29.762 -0.093 0.000 1.377 137 H HN 0.490 nan 8.280 nan 0.000 0.581 138 D N 0.415 120.945 120.400 0.216 0.000 2.348 138 D HA -0.060 4.580 4.640 0.001 0.000 0.216 138 D C 1.977 178.366 176.300 0.149 0.000 0.970 138 D CA 0.219 54.348 54.000 0.215 0.000 0.889 138 D CB 0.060 40.967 40.800 0.177 0.000 0.912 138 D HN 0.396 nan 8.370 nan 0.000 0.524 139 R N 0.724 121.282 120.500 0.096 0.000 2.193 139 R HA -0.093 4.247 4.340 0.001 0.000 0.229 139 R C 1.030 177.361 176.300 0.052 0.000 1.110 139 R CA 0.654 56.748 56.100 -0.009 0.000 0.988 139 R CB -0.156 30.077 30.300 -0.113 0.000 0.871 139 R HN 0.151 nan 8.270 nan 0.000 0.458 140 D N 0.799 121.361 120.400 0.271 0.000 2.221 140 D HA -0.130 4.510 4.640 0.001 0.000 0.204 140 D C 1.472 178.047 176.300 0.458 0.000 0.982 140 D CA 1.062 55.368 54.000 0.509 0.000 0.857 140 D CB -0.001 41.066 40.800 0.445 0.000 0.934 140 D HN 0.025 nan 8.370 nan 0.000 0.475 141 M N -0.039 119.734 119.600 0.289 0.000 2.549 141 M HA -0.040 4.441 4.480 0.001 0.000 0.260 141 M C 1.707 178.094 176.300 0.144 0.000 1.076 141 M CA 0.848 56.276 55.300 0.213 0.000 1.090 141 M CB -0.671 32.005 32.600 0.126 0.000 1.418 141 M HN 0.049 nan 8.290 nan 0.000 0.486 142 T N -3.425 111.181 114.554 0.086 0.000 3.086 142 T HA 0.183 4.533 4.350 0.001 0.000 0.250 142 T C 0.404 175.227 174.700 0.205 0.000 1.074 142 T CA -0.359 61.764 62.100 0.039 0.000 0.988 142 T CB -0.395 68.461 68.868 -0.020 0.000 0.988 142 T HN -0.012 nan 8.240 nan 0.000 0.530 143 F N 3.698 123.887 119.950 0.399 0.000 2.418 143 F HA 0.467 4.994 4.527 0.001 0.000 0.341 143 F C 1.360 177.339 175.800 0.298 0.000 1.120 143 F CA -0.830 57.359 58.000 0.314 0.000 1.232 143 F CB 0.739 39.876 39.000 0.228 0.000 1.175 143 F HN 0.166 nan 8.300 nan 0.000 0.569 144 S N 2.230 118.083 115.700 0.255 0.000 2.652 144 S HA 0.134 4.604 4.470 0.001 0.000 0.270 144 S C 0.779 175.385 174.600 0.010 0.000 1.243 144 S CA -0.615 57.477 58.200 -0.179 0.000 0.999 144 S CB 0.500 63.509 63.200 -0.318 0.000 0.973 144 S HN 0.659 nan 8.310 nan 0.000 0.544 145 Y N 1.705 121.919 120.300 -0.144 0.000 2.165 145 Y HA -0.122 4.428 4.550 0.000 0.000 0.286 145 Y C 2.505 178.376 175.900 -0.047 0.000 1.155 145 Y CA 1.998 60.067 58.100 -0.053 0.000 1.164 145 Y CB -1.104 37.327 38.460 -0.049 0.000 0.978 145 Y HN 0.832 nan 8.280 nan 0.000 0.513 146 A N 0.321 123.040 122.820 -0.168 0.000 1.930 146 A HA -0.063 4.257 4.320 0.001 0.000 0.217 146 A C 2.463 179.912 177.584 -0.226 0.000 1.175 146 A CA 1.723 53.619 52.037 -0.234 0.000 0.627 146 A CB -1.471 17.466 19.000 -0.105 0.000 0.815 146 A HN 0.604 nan 8.150 nan 0.000 0.443 147 A N -0.399 122.333 122.820 -0.146 0.000 1.892 147 A HA -0.095 4.225 4.320 0.001 0.000 0.218 147 A C 2.229 179.659 177.584 -0.257 0.000 1.188 147 A CA 2.038 53.998 52.037 -0.129 0.000 0.631 147 A CB -1.061 17.986 19.000 0.079 0.000 0.822 147 A HN 0.438 nan 8.150 nan 0.000 0.447 148 V N 0.327 120.096 119.914 -0.242 0.000 2.407 148 V HA -0.214 3.906 4.120 0.001 0.000 0.248 148 V C 2.459 178.375 176.094 -0.297 0.000 1.055 148 V CA 2.083 64.210 62.300 -0.287 0.000 1.049 148 V CB -0.592 31.154 31.823 -0.127 0.000 0.662 148 V HN 0.414 nan 8.190 nan 0.000 0.455 149 K N -0.081 120.093 120.400 -0.376 0.000 2.147 149 K HA -0.129 4.191 4.320 0.001 0.000 0.205 149 K C 2.146 178.612 176.600 -0.225 0.000 1.049 149 K CA 1.113 57.206 56.287 -0.323 0.000 0.936 149 K CB -0.352 31.895 32.500 -0.422 0.000 0.722 149 K HN 0.503 nan 8.250 nan 0.000 0.446 150 Q N 0.432 120.084 119.800 -0.247 0.000 2.096 150 Q HA 0.032 4.373 4.340 0.001 0.000 0.197 150 Q C 2.427 178.263 176.000 -0.274 0.000 0.964 150 Q CA 0.682 56.345 55.803 -0.233 0.000 0.838 150 Q CB -0.223 28.352 28.738 -0.272 0.000 0.906 150 Q HN 0.288 nan 8.270 nan 0.000 0.444 151 L N 0.915 121.922 121.223 -0.361 0.000 1.990 151 L HA -0.242 4.098 4.340 0.001 0.000 0.213 151 L C 2.578 179.371 176.870 -0.128 0.000 1.072 151 L CA 1.678 56.340 54.840 -0.297 0.000 0.755 151 L CB -0.509 41.314 42.059 -0.392 0.000 0.889 151 L HN 0.316 nan 8.230 nan 0.000 0.432 152 E N -0.089 120.025 120.200 -0.144 0.000 2.153 152 E HA -0.177 4.174 4.350 0.001 0.000 0.194 152 E C 2.112 178.678 176.600 -0.055 0.000 0.988 152 E CA 1.101 57.446 56.400 -0.092 0.000 0.811 152 E CB -0.072 29.574 29.700 -0.090 0.000 0.746 152 E HN 0.495 nan 8.360 nan 0.000 0.466 153 G N 1.016 109.780 108.800 -0.059 0.000 2.408 153 G HA2 -0.205 3.756 3.960 0.001 0.000 0.215 153 G HA3 -0.205 3.756 3.960 0.001 0.000 0.215 153 G C 1.370 176.284 174.900 0.022 0.000 1.156 153 G CA 1.028 46.114 45.100 -0.024 0.000 0.793 153 G HN 0.347 nan 8.290 nan 0.000 0.535 154 K N -2.406 118.032 120.400 0.064 0.000 2.608 154 K HA 0.335 4.655 4.320 0.001 0.000 0.209 154 K C 0.627 177.401 176.600 0.290 0.000 1.369 154 K CA -0.318 56.059 56.287 0.149 0.000 1.029 154 K CB 0.145 32.735 32.500 0.150 0.000 1.139 154 K HN 0.148 nan 8.250 nan 0.000 0.623 155 Y N 1.680 121.977 120.300 -0.006 0.000 2.569 155 Y HA 0.378 4.928 4.550 0.001 0.000 0.278 155 Y C 0.785 176.696 175.900 0.019 0.000 1.130 155 Y CA -0.557 57.546 58.100 0.005 0.000 1.280 155 Y CB 0.369 38.808 38.460 -0.034 0.000 1.379 155 Y HN -0.142 nan 8.280 nan 0.000 0.508 156 L N 1.135 122.460 121.223 0.169 0.000 2.453 156 L HA 0.090 4.430 4.340 0.001 0.000 0.272 156 L C -0.057 176.884 176.870 0.117 0.000 1.182 156 L CA -0.343 54.565 54.840 0.113 0.000 0.858 156 L CB 0.311 42.391 42.059 0.036 0.000 1.120 156 L HN -0.224 nan 8.230 nan 0.000 0.474 157 V N 3.969 123.992 119.914 0.182 0.000 2.585 157 V HA 0.105 4.226 4.120 0.001 0.000 0.296 157 V C 0.323 176.511 176.094 0.156 0.000 1.035 157 V CA 0.179 62.609 62.300 0.217 0.000 1.084 157 V CB 0.813 32.836 31.823 0.334 0.000 0.953 157 V HN 0.959 nan 8.190 nan 0.000 0.483 158 Q N 3.828 123.688 119.800 0.099 0.000 2.738 158 Q HA 0.430 4.770 4.340 0.001 0.000 0.301 158 Q C -1.183 174.772 176.000 -0.075 0.000 0.901 158 Q CA -1.039 54.661 55.803 -0.170 0.000 0.756 158 Q CB 1.553 30.200 28.738 -0.153 0.000 1.463 158 Q HN 0.460 nan 8.270 nan 0.000 0.432 159 N N 0.396 118.957 118.700 -0.232 0.000 2.437 159 N HA 0.190 4.930 4.740 0.001 0.000 0.259 159 N C 0.357 175.841 175.510 -0.043 0.000 0.983 159 N CA -0.202 52.825 53.050 -0.039 0.000 0.937 159 N CB 1.011 39.492 38.487 -0.011 0.000 1.122 159 N HN 0.564 nan 8.380 nan 0.000 0.499 160 R N 2.436 122.937 120.500 0.001 0.000 2.096 160 R HA -0.090 4.250 4.340 0.001 0.000 0.240 160 R C 1.458 177.756 176.300 -0.003 0.000 1.139 160 R CA 1.103 57.203 56.100 0.001 0.000 0.952 160 R CB -0.978 29.332 30.300 0.016 0.000 0.854 160 R HN 0.448 nan 8.270 nan 0.000 0.436 161 V N 0.657 120.574 119.914 0.005 0.000 2.221 161 V HA -0.222 3.898 4.120 0.001 0.000 0.240 161 V C 2.571 178.663 176.094 -0.003 0.000 1.041 161 V CA 2.510 64.813 62.300 0.006 0.000 0.991 161 V CB -1.207 30.625 31.823 0.014 0.000 0.634 161 V HN 0.494 nan 8.190 nan 0.000 0.450 162 T N -1.913 112.637 114.554 -0.006 0.000 2.995 162 T HA 0.126 4.477 4.350 0.001 0.000 0.269 162 T C 1.592 176.268 174.700 -0.039 0.000 1.091 162 T CA 1.434 63.526 62.100 -0.014 0.000 1.128 162 T CB 0.087 68.955 68.868 -0.001 0.000 0.891 162 T HN 1.293 nan 8.240 nan 0.000 0.492 163 G N 1.045 109.806 108.800 -0.065 0.000 2.176 163 G HA2 -0.230 3.731 3.960 0.001 0.000 0.253 163 G HA3 -0.230 3.731 3.960 0.001 0.000 0.253 163 G C -0.235 174.571 174.900 -0.156 0.000 0.979 163 G CA 0.079 45.128 45.100 -0.085 0.000 0.641 163 G HN 0.687 nan 8.290 nan 0.000 0.530 164 E N -0.267 119.793 120.200 -0.232 0.000 2.373 164 E HA 0.509 4.859 4.350 0.001 0.000 0.267 164 E C 0.062 176.306 176.600 -0.595 0.000 1.032 164 E CA -0.238 55.938 56.400 -0.374 0.000 0.889 164 E CB 1.117 30.585 29.700 -0.386 0.000 0.984 164 E HN 0.332 nan 8.360 nan 0.000 0.425 165 I N 2.742 123.025 120.570 -0.477 0.000 2.359 165 I HA 0.052 4.223 4.170 0.001 0.000 0.294 165 I C -0.207 175.680 176.117 -0.384 0.000 0.987 165 I CA -0.127 60.919 61.300 -0.424 0.000 1.225 165 I CB 0.679 38.523 38.000 -0.261 0.000 1.366 165 I HN 0.567 nan 8.210 nan 0.000 0.466 166 Y N 3.489 123.751 120.300 -0.063 0.000 2.442 166 Y HA 0.233 4.784 4.550 0.001 0.000 0.250 166 Y C 0.747 176.706 175.900 0.098 0.000 1.113 166 Y CA -0.450 57.633 58.100 -0.029 0.000 1.273 166 Y CB 0.049 38.482 38.460 -0.045 0.000 1.138 166 Y HN 0.557 nan 8.280 nan 0.000 0.522 167 E N -0.590 119.738 120.200 0.212 0.000 2.450 167 E HA 0.668 5.019 4.350 0.001 0.000 0.272 167 E C -0.903 175.753 176.600 0.093 0.000 0.967 167 E CA -0.973 55.623 56.400 0.327 0.000 0.818 167 E CB 2.089 32.105 29.700 0.527 0.000 1.401 167 E HN -0.068 nan 8.360 nan 0.000 0.450 168 S N -0.787 115.008 115.700 0.159 0.000 2.671 168 S HA 0.662 5.133 4.470 0.001 0.000 0.299 168 S C 0.840 175.469 174.600 0.049 0.000 1.116 168 S CA -0.323 57.887 58.200 0.017 0.000 0.912 168 S CB 1.280 64.458 63.200 -0.036 0.000 1.130 168 S HN 0.800 nan 8.310 nan 0.000 0.501 169 A N 0.573 123.407 122.820 0.024 0.000 1.940 169 A HA -0.088 4.233 4.320 0.001 0.000 0.219 169 A C 2.090 179.708 177.584 0.057 0.000 1.176 169 A CA 1.369 53.396 52.037 -0.016 0.000 0.631 169 A CB -0.890 18.148 19.000 0.064 0.000 0.814 169 A HN 0.739 nan 8.150 nan 0.000 0.446 170 Q N -1.208 118.712 119.800 0.200 0.000 2.230 170 Q HA -0.061 4.279 4.340 0.001 0.000 0.202 170 Q C 1.713 177.906 176.000 0.322 0.000 0.963 170 Q CA 0.917 56.914 55.803 0.324 0.000 0.866 170 Q CB -0.489 28.330 28.738 0.135 0.000 0.931 170 Q HN 0.700 nan 8.270 nan 0.000 0.452 171 F N 0.790 120.879 119.950 0.232 0.000 2.163 171 F HA -0.072 4.456 4.527 0.001 0.000 0.297 171 F C 2.289 178.196 175.800 0.179 0.000 1.094 171 F CA 0.018 58.134 58.000 0.194 0.000 1.290 171 F CB -1.208 37.901 39.000 0.181 0.000 1.017 171 F HN 0.038 nan 8.300 nan 0.000 0.483 172 L N -1.010 120.405 121.223 0.319 0.000 1.997 172 L HA -0.335 4.006 4.340 0.001 0.000 0.216 172 L C 2.473 179.465 176.870 0.202 0.000 1.074 172 L CA 1.832 56.764 54.840 0.155 0.000 0.763 172 L CB -0.580 41.468 42.059 -0.019 0.000 0.890 172 L HN 0.045 nan 8.230 nan 0.000 0.434 173 Y N -0.877 119.619 120.300 0.328 0.000 2.163 173 Y HA -0.229 4.322 4.550 0.001 0.000 0.288 173 Y C 2.294 178.451 175.900 0.428 0.000 1.136 173 Y CA 1.358 59.675 58.100 0.363 0.000 1.147 173 Y CB -0.645 38.043 38.460 0.379 0.000 0.987 173 Y HN 0.203 nan 8.280 nan 0.000 0.509 174 I N -0.220 120.689 120.570 0.566 0.000 2.286 174 I HA -0.258 3.912 4.170 0.001 0.000 0.248 174 I C 1.878 178.112 176.117 0.194 0.000 1.115 174 I CA 1.566 63.036 61.300 0.283 0.000 1.392 174 I CB -0.472 37.539 38.000 0.018 0.000 1.065 174 I HN 0.134 nan 8.210 nan 0.000 0.418 175 L N -1.547 119.774 121.223 0.164 0.000 2.270 175 L HA -0.060 4.281 4.340 0.001 0.000 0.210 175 L C 2.387 179.261 176.870 0.008 0.000 1.104 175 L CA 0.224 55.077 54.840 0.021 0.000 0.804 175 L CB -0.498 41.495 42.059 -0.110 0.000 0.937 175 L HN 0.027 nan 8.230 nan 0.000 0.450 176 V N 0.420 120.387 119.914 0.088 0.000 2.261 176 V HA -0.325 3.796 4.120 0.001 0.000 0.246 176 V C 2.825 178.939 176.094 0.033 0.000 1.047 176 V CA 1.956 64.284 62.300 0.048 0.000 1.015 176 V CB -0.931 30.988 31.823 0.160 0.000 0.642 176 V HN 0.481 nan 8.190 nan 0.000 0.446 177 A N 0.178 123.133 122.820 0.226 0.000 1.873 177 A HA -0.251 4.070 4.320 0.001 0.000 0.218 177 A C 2.467 180.143 177.584 0.154 0.000 1.193 177 A CA 2.730 54.912 52.037 0.241 0.000 0.629 177 A CB -1.123 18.142 19.000 0.443 0.000 0.826 177 A HN 0.636 nan 8.150 nan 0.000 0.447 178 A N -1.219 121.643 122.820 0.069 0.000 1.917 178 A HA -0.238 4.082 4.320 0.001 0.000 0.219 178 A C 2.366 180.026 177.584 0.128 0.000 1.182 178 A CA 1.965 53.988 52.037 -0.023 0.000 0.633 178 A CB -1.357 17.463 19.000 -0.299 0.000 0.819 178 A HN 0.644 nan 8.150 nan 0.000 0.448 179 C N -1.031 118.278 119.300 0.015 0.000 2.453 179 C HA 0.021 4.481 4.460 0.001 0.000 0.277 179 C C 2.643 177.503 174.990 -0.217 0.000 1.262 179 C CA 0.914 59.928 59.018 -0.006 0.000 1.718 179 C CB -1.414 26.236 27.740 -0.149 0.000 2.031 179 C HN 0.631 nan 8.230 nan 0.000 0.480 180 L N -0.757 120.222 121.223 -0.407 0.000 2.131 180 L HA -0.100 4.240 4.340 0.001 0.000 0.210 180 L C 1.582 178.054 176.870 -0.663 0.000 1.092 180 L CA 1.625 56.066 54.840 -0.665 0.000 0.759 180 L CB -0.468 41.057 42.059 -0.889 0.000 0.903 180 L HN 0.319 nan 8.230 nan 0.000 0.435 181 F N -0.966 118.846 119.950 -0.230 0.000 2.641 181 F HA 0.036 4.564 4.527 0.001 0.000 0.302 181 F C 2.319 178.152 175.800 0.055 0.000 1.098 181 F CA 0.133 58.000 58.000 -0.221 0.000 1.318 181 F CB -0.154 38.617 39.000 -0.381 0.000 1.035 181 F HN 0.035 nan 8.300 nan 0.000 0.551 182 S N -0.704 115.123 115.700 0.212 0.000 2.447 182 S HA -0.181 4.290 4.470 0.001 0.000 0.233 182 S C 1.206 175.854 174.600 0.080 0.000 1.006 182 S CA 1.184 59.493 58.200 0.182 0.000 0.957 182 S CB -0.672 62.700 63.200 0.286 0.000 0.773 182 S HN 0.521 nan 8.310 nan 0.000 0.507 183 N N -0.295 118.489 118.700 0.140 0.000 2.322 183 N HA 0.207 4.947 4.740 0.001 0.000 0.194 183 N C -0.835 174.735 175.510 0.101 0.000 1.126 183 N CA -0.225 52.873 53.050 0.080 0.000 0.845 183 N CB 0.070 38.576 38.487 0.031 0.000 0.976 183 N HN 0.306 nan 8.380 nan 0.000 0.475 184 Y N 2.099 122.404 120.300 0.009 0.000 2.397 184 Y HA 0.138 4.689 4.550 0.001 0.000 0.335 184 Y C -1.738 174.171 175.900 0.015 0.000 1.213 184 Y CA -2.432 55.683 58.100 0.025 0.000 1.391 184 Y CB 0.214 38.728 38.460 0.090 0.000 1.293 184 Y HN 0.039 nan 8.280 nan 0.000 0.557 185 P HA -0.000 nan 4.420 nan 0.000 0.265 185 P C 0.116 177.475 177.300 0.098 0.000 1.193 185 P CA -0.090 63.038 63.100 0.046 0.000 0.765 185 P CB 0.787 32.496 31.700 0.014 0.000 0.823 186 R N 3.008 123.541 120.500 0.055 0.000 2.170 186 R HA -0.163 4.177 4.340 0.001 0.000 0.242 186 R C 1.760 178.104 176.300 0.074 0.000 1.145 186 R CA 1.383 57.518 56.100 0.058 0.000 0.984 186 R CB -0.952 29.363 30.300 0.025 0.000 0.869 186 R HN 0.589 nan 8.270 nan 0.000 0.455 187 E N 0.662 120.901 120.200 0.065 0.000 2.085 187 E HA -0.164 4.187 4.350 0.001 0.000 0.194 187 E C 1.639 178.289 176.600 0.084 0.000 0.994 187 E CA 2.056 58.492 56.400 0.060 0.000 0.801 187 E CB -0.663 29.064 29.700 0.044 0.000 0.743 187 E HN 0.520 nan 8.360 nan 0.000 0.453 188 T N -2.125 112.521 114.554 0.153 0.000 3.015 188 T HA 0.199 4.549 4.350 0.001 0.000 0.250 188 T C 1.917 176.778 174.700 0.267 0.000 1.057 188 T CA 0.231 62.460 62.100 0.216 0.000 1.066 188 T CB 0.266 69.378 68.868 0.406 0.000 0.959 188 T HN 0.056 nan 8.240 nan 0.000 0.488 189 R N 1.229 121.889 120.500 0.267 0.000 2.122 189 R HA 0.001 4.341 4.340 0.001 0.000 0.236 189 R C 2.153 178.548 176.300 0.159 0.000 1.129 189 R CA 1.802 58.056 56.100 0.257 0.000 0.925 189 R CB -0.745 29.691 30.300 0.227 0.000 0.850 189 R HN 0.401 nan 8.270 nan 0.000 0.431 190 L N 0.461 121.778 121.223 0.156 0.000 2.395 190 L HA -0.079 4.261 4.340 0.001 0.000 0.218 190 L C 2.715 179.595 176.870 0.017 0.000 1.130 190 L CA 0.796 55.746 54.840 0.183 0.000 0.826 190 L CB -0.437 41.786 42.059 0.273 0.000 0.941 190 L HN 0.507 nan 8.230 nan 0.000 0.451 191 Q N 0.012 119.765 119.800 -0.079 0.000 1.990 191 Q HA -0.242 4.099 4.340 0.001 0.000 0.200 191 Q C 2.238 178.004 176.000 -0.389 0.000 0.980 191 Q CA 1.893 57.538 55.803 -0.265 0.000 0.832 191 Q CB -0.237 28.331 28.738 -0.283 0.000 0.897 191 Q HN 0.377 nan 8.270 nan 0.000 0.427 192 Y N 0.275 120.339 120.300 -0.393 0.000 2.165 192 Y HA -0.249 4.302 4.550 0.001 0.000 0.286 192 Y C 2.445 177.873 175.900 -0.786 0.000 1.155 192 Y CA 1.385 59.036 58.100 -0.750 0.000 1.164 192 Y CB -0.478 37.228 38.460 -1.257 0.000 0.978 192 Y HN -0.008 nan 8.280 nan 0.000 0.513 193 V N 0.318 120.018 119.914 -0.356 0.000 2.255 193 V HA -0.362 3.759 4.120 0.001 0.000 0.247 193 V C 2.411 178.465 176.094 -0.066 0.000 1.051 193 V CA 2.329 64.565 62.300 -0.108 0.000 1.018 193 V CB -0.633 31.237 31.823 0.078 0.000 0.641 193 V HN 0.352 nan 8.190 nan 0.000 0.445 194 K N -0.124 120.079 120.400 -0.329 0.000 2.026 194 K HA -0.205 4.116 4.320 0.001 0.000 0.208 194 K C 2.421 178.862 176.600 -0.266 0.000 1.048 194 K CA 1.621 57.548 56.287 -0.600 0.000 0.929 194 K CB -0.159 31.495 32.500 -1.410 0.000 0.713 194 K HN 0.344 nan 8.250 nan 0.000 0.439 195 R N -0.531 119.802 120.500 -0.279 0.000 2.073 195 R HA -0.142 4.198 4.340 0.001 0.000 0.234 195 R C 2.365 178.604 176.300 -0.101 0.000 1.134 195 R CA 1.697 57.673 56.100 -0.208 0.000 0.952 195 R CB -0.486 29.666 30.300 -0.248 0.000 0.850 195 R HN 0.255 nan 8.270 nan 0.000 0.433 196 F N 0.593 120.442 119.950 -0.169 0.000 2.102 196 F HA -0.268 4.259 4.527 0.001 0.000 0.298 196 F C 2.335 178.108 175.800 -0.044 0.000 1.105 196 F CA 1.449 59.418 58.000 -0.053 0.000 1.239 196 F CB -0.462 38.583 39.000 0.075 0.000 0.991 196 F HN 0.002 nan 8.300 nan 0.000 0.474 197 Y N 1.233 121.574 120.300 0.068 0.000 2.165 197 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 197 Y C 2.151 177.930 175.900 -0.202 0.000 1.155 197 Y CA 2.167 60.260 58.100 -0.011 0.000 1.164 197 Y CB -0.890 37.614 38.460 0.073 0.000 0.978 197 Y HN 0.061 nan 8.280 nan 0.000 0.513 198 D N 0.371 120.555 120.400 -0.360 0.000 2.104 198 D HA -0.199 4.442 4.640 0.001 0.000 0.194 198 D C 2.345 178.336 176.300 -0.515 0.000 0.994 198 D CA 1.710 55.432 54.000 -0.463 0.000 0.830 198 D CB -0.689 39.961 40.800 -0.251 0.000 0.959 198 D HN 0.510 nan 8.370 nan 0.000 0.452 199 A N 0.594 123.149 122.820 -0.441 0.000 1.902 199 A HA -0.147 4.173 4.320 0.001 0.000 0.217 199 A C 2.471 179.740 177.584 -0.525 0.000 1.181 199 A CA 2.299 54.084 52.037 -0.420 0.000 0.623 199 A CB -0.748 18.032 19.000 -0.367 0.000 0.818 199 A HN 0.244 nan 8.150 nan 0.000 0.443 200 V N -1.648 117.841 119.914 -0.709 0.000 2.535 200 V HA -0.093 4.028 4.120 0.001 0.000 0.246 200 V C 2.362 177.826 176.094 -1.050 0.000 1.045 200 V CA 2.074 63.940 62.300 -0.723 0.000 1.058 200 V CB -1.110 30.334 31.823 -0.633 0.000 0.689 200 V HN 0.647 nan 8.190 nan 0.000 0.461 201 S N 1.797 116.736 115.700 -1.269 0.000 2.453 201 S HA -0.121 4.350 4.470 0.001 0.000 0.231 201 S C 1.770 175.640 174.600 -1.216 0.000 1.005 201 S CA 1.271 58.650 58.200 -1.369 0.000 0.949 201 S CB -0.966 61.483 63.200 -1.251 0.000 0.774 201 S HN 0.881 nan 8.310 nan 0.000 0.510 202 T N -2.426 111.551 114.554 -0.960 0.000 3.145 202 T HA 0.363 4.713 4.350 0.001 0.000 0.255 202 T C 0.249 174.587 174.700 -0.603 0.000 1.039 202 T CA -0.457 61.154 62.100 -0.816 0.000 0.928 202 T CB -0.940 67.655 68.868 -0.455 0.000 1.029 202 T HN 0.288 nan 8.240 nan 0.000 0.554 203 F N 0.365 120.153 119.950 -0.270 0.000 2.884 203 F HA -0.205 4.323 4.527 0.001 0.000 0.294 203 F C 1.252 176.992 175.800 -0.099 0.000 0.723 203 F CA 0.229 58.139 58.000 -0.151 0.000 1.294 203 F CB -2.388 36.561 39.000 -0.085 0.000 1.551 203 F HN 0.305 nan 8.300 nan 0.000 0.363 204 K N 0.105 120.488 120.400 -0.028 0.000 2.228 204 K HA 0.215 4.536 4.320 0.001 0.000 0.202 204 K C 0.788 177.418 176.600 0.050 0.000 1.051 204 K CA 1.107 57.399 56.287 0.008 0.000 0.960 204 K CB 0.591 33.056 32.500 -0.059 0.000 0.743 204 K HN 0.307 nan 8.250 nan 0.000 0.458 205 I N 0.499 121.043 120.570 -0.042 0.000 2.545 205 I HA 0.124 4.294 4.170 0.001 0.000 0.292 205 I C -0.582 175.514 176.117 -0.036 0.000 1.040 205 I CA -0.575 60.691 61.300 -0.057 0.000 1.068 205 I CB 2.341 40.239 38.000 -0.170 0.000 1.251 205 I HN -0.173 nan 8.210 nan 0.000 0.424 206 S N 5.574 121.277 115.700 0.005 0.000 2.537 206 S HA 0.783 5.254 4.470 0.001 0.000 0.301 206 S C -0.639 174.002 174.600 0.069 0.000 1.092 206 S CA -0.502 57.749 58.200 0.085 0.000 1.048 206 S CB 1.630 64.895 63.200 0.108 0.000 1.053 206 S HN 0.294 nan 8.310 nan 0.000 0.501 207 L N 3.000 124.305 121.223 0.136 0.000 2.354 207 L HA 0.579 4.919 4.340 0.001 0.000 0.264 207 L C -2.390 174.544 176.870 0.107 0.000 1.008 207 L CA -2.196 52.705 54.840 0.101 0.000 0.819 207 L CB 1.705 43.831 42.059 0.110 0.000 1.339 207 L HN 0.406 nan 8.230 nan 0.000 0.420 208 P HA 0.130 nan 4.420 nan 0.000 0.272 208 P C 0.440 177.764 177.300 0.039 0.000 1.223 208 P CA -0.268 62.876 63.100 0.073 0.000 0.784 208 P CB 0.556 32.288 31.700 0.053 0.000 0.923 209 T N 2.579 117.186 114.554 0.089 0.000 2.653 209 T HA -0.121 4.229 4.350 0.001 0.000 0.268 209 T C -0.898 173.797 174.700 -0.009 0.000 1.035 209 T CA 2.305 64.438 62.100 0.054 0.000 1.154 209 T CB -1.746 67.225 68.868 0.172 0.000 0.862 209 T HN 0.532 nan 8.240 nan 0.000 0.441 210 P HA 0.012 nan 4.420 nan 0.000 0.216 210 P C 1.354 178.757 177.300 0.172 0.000 1.150 210 P CA 0.901 64.082 63.100 0.136 0.000 0.837 210 P CB -0.127 31.676 31.700 0.171 0.000 0.786 211 I N -1.872 118.719 120.570 0.034 0.000 2.193 211 I HA -0.191 3.979 4.170 0.001 0.000 0.240 211 I C 2.346 178.369 176.117 -0.156 0.000 1.084 211 I CA 1.326 62.556 61.300 -0.117 0.000 1.365 211 I CB -0.523 37.391 38.000 -0.143 0.000 1.064 211 I HN -0.121 nan 8.210 nan 0.000 0.410 212 M N 0.244 119.695 119.600 -0.249 0.000 2.229 212 M HA -0.126 4.355 4.480 0.001 0.000 0.264 212 M C 2.564 178.645 176.300 -0.365 0.000 1.063 212 M CA 1.776 56.814 55.300 -0.437 0.000 1.114 212 M CB -1.132 30.800 32.600 -1.113 0.000 1.387 212 M HN 0.383 nan 8.290 nan 0.000 0.420 213 S N -0.711 114.840 115.700 -0.249 0.000 2.446 213 S HA 0.055 4.526 4.470 0.001 0.000 0.225 213 S C 1.936 176.584 174.600 0.081 0.000 1.016 213 S CA 0.886 59.058 58.200 -0.047 0.000 0.943 213 S CB -0.556 62.656 63.200 0.020 0.000 0.786 213 S HN 0.476 nan 8.310 nan 0.000 0.508 214 G N 0.995 109.888 108.800 0.154 0.000 2.651 214 G HA2 0.262 4.223 3.960 0.001 0.000 0.207 214 G HA3 0.262 4.223 3.960 0.001 0.000 0.207 214 G C 0.242 175.379 174.900 0.395 0.000 1.131 214 G CA 0.008 45.327 45.100 0.365 0.000 0.816 214 G HN 0.387 nan 8.290 nan 0.000 0.534 215 V N 2.960 122.922 119.914 0.080 0.000 2.425 215 V HA 0.272 4.392 4.120 0.001 0.000 0.276 215 V C 1.167 177.259 176.094 -0.004 0.000 1.017 215 V CA 1.332 63.571 62.300 -0.102 0.000 1.062 215 V CB -0.182 31.375 31.823 -0.444 0.000 0.997 215 V HN 0.810 nan 8.190 nan 0.000 0.476 216 R N 2.397 122.958 120.500 0.102 0.000 1.981 216 R HA -0.114 4.226 4.340 0.001 0.000 0.361 216 R C 0.380 176.727 176.300 0.078 0.000 0.220 216 R CA 0.673 56.760 56.100 -0.022 0.000 1.427 216 R CB -1.696 28.441 30.300 -0.273 0.000 1.802 216 R HN 0.695 nan 8.270 nan 0.000 0.195 217 T N -1.007 113.671 114.554 0.207 0.000 2.847 217 T HA 0.545 4.895 4.350 0.001 0.000 0.279 217 T C -1.917 172.916 174.700 0.222 0.000 0.984 217 T CA -1.317 60.925 62.100 0.237 0.000 0.988 217 T CB 1.675 70.678 68.868 0.225 0.000 1.040 217 T HN -0.084 nan 8.240 nan 0.000 0.528 218 P HA 0.096 nan 4.420 nan 0.000 0.236 218 P C 0.544 177.880 177.300 0.060 0.000 1.172 218 P CA 0.498 63.664 63.100 0.109 0.000 0.759 218 P CB -0.133 31.607 31.700 0.066 0.000 0.843 219 T N -0.235 114.353 114.554 0.056 0.000 2.874 219 T HA 0.294 4.644 4.350 0.001 0.000 0.281 219 T C 0.909 175.495 174.700 -0.189 0.000 0.994 219 T CA -0.448 61.597 62.100 -0.091 0.000 1.015 219 T CB 0.432 69.207 68.868 -0.156 0.000 1.028 219 T HN -0.181 nan 8.240 nan 0.000 0.523 220 R N 1.560 121.802 120.500 -0.430 0.000 2.569 220 R HA 0.190 4.530 4.340 0.001 0.000 0.422 220 R C -0.449 175.346 176.300 -0.841 0.000 0.980 220 R CA -0.094 55.678 56.100 -0.547 0.000 1.164 220 R CB 0.473 30.606 30.300 -0.278 0.000 1.520 220 R HN 0.653 nan 8.270 nan 0.000 0.567 221 Q N 0.282 119.512 119.800 -0.950 0.000 2.360 221 Q HA 0.347 4.688 4.340 0.001 0.000 0.254 221 Q C -0.406 175.099 176.000 -0.825 0.000 0.975 221 Q CA -0.034 55.385 55.803 -0.640 0.000 0.912 221 Q CB 0.659 29.191 28.738 -0.343 0.000 1.212 221 Q HN 0.018 nan 8.270 nan 0.000 0.452 222 F N -0.986 118.956 119.950 -0.014 0.000 2.915 222 F HA 0.193 4.720 4.527 0.001 0.000 0.347 222 F C 0.425 176.230 175.800 0.008 0.000 1.104 222 F CA -0.484 57.518 58.000 0.004 0.000 1.126 222 F CB 1.012 40.018 39.000 0.009 0.000 1.145 222 F HN 0.232 nan 8.300 nan 0.000 0.541 223 S N 0.979 116.757 115.700 0.130 0.000 2.430 223 S HA 0.150 4.620 4.470 0.001 0.000 0.282 223 S C 1.296 175.945 174.600 0.081 0.000 1.186 223 S CA 0.191 58.454 58.200 0.106 0.000 1.060 223 S CB 0.658 63.931 63.200 0.122 0.000 0.966 223 S HN 0.390 nan 8.310 nan 0.000 0.501 224 S N 1.574 117.308 115.700 0.057 0.000 2.503 224 S HA 0.104 4.575 4.470 0.001 0.000 0.217 224 S C 0.679 175.281 174.600 0.004 0.000 0.999 224 S CA -0.115 58.112 58.200 0.044 0.000 0.914 224 S CB -0.429 62.804 63.200 0.055 0.000 0.782 224 S HN 0.863 nan 8.310 nan 0.000 0.520 225 C N 0.603 119.880 119.300 -0.038 0.000 2.811 225 C HA 0.885 5.345 4.460 0.001 0.000 0.352 225 C C -0.633 174.265 174.990 -0.154 0.000 1.098 225 C CA -0.673 58.298 59.018 -0.077 0.000 1.295 225 C CB 0.941 28.655 27.740 -0.042 0.000 1.758 225 C HN 0.621 nan 8.230 nan 0.000 0.488 226 V N 1.699 121.478 119.914 -0.225 0.000 2.960 226 V HA 0.928 5.049 4.120 0.001 0.000 0.315 226 V C -1.148 174.840 176.094 -0.177 0.000 1.087 226 V CA -0.785 61.330 62.300 -0.309 0.000 0.982 226 V CB 1.768 33.173 31.823 -0.697 0.000 1.039 226 V HN 0.898 nan 8.190 nan 0.000 0.437 227 L N 4.270 125.405 121.223 -0.148 0.000 2.372 227 L HA 0.667 5.008 4.340 0.001 0.000 0.274 227 L C -0.560 176.254 176.870 -0.093 0.000 0.988 227 L CA 0.088 54.866 54.840 -0.104 0.000 0.833 227 L CB 1.476 43.470 42.059 -0.108 0.000 1.236 227 L HN 0.633 nan 8.230 nan 0.000 0.410 228 I N 2.085 122.606 120.570 -0.081 0.000 2.465 228 I HA 0.432 4.603 4.170 0.001 0.000 0.291 228 I C -0.217 175.853 176.117 -0.079 0.000 1.014 228 I CA -0.560 60.698 61.300 -0.071 0.000 1.093 228 I CB 2.153 40.110 38.000 -0.072 0.000 1.267 228 I HN 0.552 nan 8.210 nan 0.000 0.431 229 E N 5.229 125.392 120.200 -0.061 0.000 2.166 229 E HA 0.353 4.703 4.350 0.001 0.000 0.275 229 E C -1.496 175.083 176.600 -0.035 0.000 0.941 229 E CA -0.626 55.746 56.400 -0.046 0.000 0.784 229 E CB 1.779 31.453 29.700 -0.043 0.000 1.115 229 E HN 0.709 nan 8.360 nan 0.000 0.399 230 C N 4.438 123.724 119.300 -0.024 0.000 2.330 230 C HA 0.750 5.211 4.460 0.001 0.000 0.344 230 C C 0.767 175.781 174.990 0.039 0.000 1.273 230 C CA -0.157 58.871 59.018 0.016 0.000 1.879 230 C CB -0.536 27.234 27.740 0.050 0.000 2.376 230 C HN 0.839 nan 8.230 nan 0.000 0.534 231 G N 3.137 111.959 108.800 0.038 0.000 2.528 231 G HA2 0.295 4.255 3.960 0.001 0.000 0.289 231 G HA3 0.295 4.255 3.960 0.001 0.000 0.289 231 G C -0.270 174.646 174.900 0.026 0.000 1.192 231 G CA -0.116 44.989 45.100 0.008 0.000 0.921 231 G HN 0.778 nan 8.290 nan 0.000 0.512 232 D N -0.265 120.101 120.400 -0.057 0.000 2.801 232 D HA 0.303 4.944 4.640 0.001 0.000 0.232 232 D C 0.287 176.498 176.300 -0.148 0.000 1.128 232 D CA 0.020 53.916 54.000 -0.174 0.000 1.003 232 D CB -0.544 40.054 40.800 -0.337 0.000 1.110 232 D HN 0.442 nan 8.370 nan 0.000 0.477 233 S N -0.731 115.092 115.700 0.205 0.000 2.537 233 S HA 0.261 4.731 4.470 0.001 0.000 0.271 233 S C 0.995 175.738 174.600 0.238 0.000 1.148 233 S CA -0.899 57.491 58.200 0.317 0.000 0.868 233 S CB 0.809 64.086 63.200 0.128 0.000 1.115 233 S HN 0.062 nan 8.310 nan 0.000 0.461 234 L N 0.861 122.167 121.223 0.139 0.000 2.079 234 L HA -0.129 4.211 4.340 0.001 0.000 0.210 234 L C 1.843 178.730 176.870 0.029 0.000 1.081 234 L CA 1.627 56.446 54.840 -0.035 0.000 0.752 234 L CB -0.719 41.315 42.059 -0.042 0.000 0.896 234 L HN 0.698 nan 8.230 nan 0.000 0.433 235 D N -0.715 119.721 120.400 0.061 0.000 2.123 235 D HA -0.191 4.450 4.640 0.001 0.000 0.196 235 D C 2.384 178.728 176.300 0.073 0.000 0.992 235 D CA 1.585 55.622 54.000 0.062 0.000 0.833 235 D CB -0.120 40.714 40.800 0.056 0.000 0.954 235 D HN 0.122 nan 8.370 nan 0.000 0.455 236 S N -0.589 115.158 115.700 0.079 0.000 2.387 236 S HA -0.010 4.460 4.470 0.001 0.000 0.226 236 S C 2.089 176.763 174.600 0.124 0.000 1.026 236 S CA 0.187 58.437 58.200 0.084 0.000 0.972 236 S CB -0.181 63.062 63.200 0.071 0.000 0.814 236 S HN 0.141 nan 8.310 nan 0.000 0.477 237 I N 2.148 122.798 120.570 0.133 0.000 2.163 237 I HA -0.238 3.933 4.170 0.001 0.000 0.243 237 I C 2.259 178.546 176.117 0.285 0.000 1.085 237 I CA 1.178 62.611 61.300 0.221 0.000 1.347 237 I CB -0.455 37.507 38.000 -0.064 0.000 1.044 237 I HN 0.305 nan 8.210 nan 0.000 0.408 238 N N 1.032 119.837 118.700 0.174 0.000 2.084 238 N HA -0.143 4.598 4.740 0.001 0.000 0.190 238 N C 1.920 177.530 175.510 0.166 0.000 1.030 238 N CA 1.706 54.866 53.050 0.183 0.000 0.849 238 N CB -0.562 37.996 38.487 0.118 0.000 1.012 238 N HN 0.365 nan 8.380 nan 0.000 0.423 239 A N 0.608 123.502 122.820 0.123 0.000 1.873 239 A HA -0.188 4.133 4.320 0.001 0.000 0.218 239 A C 2.407 180.050 177.584 0.099 0.000 1.193 239 A CA 2.385 54.480 52.037 0.096 0.000 0.629 239 A CB -1.323 17.721 19.000 0.074 0.000 0.826 239 A HN 0.349 nan 8.150 nan 0.000 0.447 240 T N -0.474 114.144 114.554 0.107 0.000 2.635 240 T HA -0.195 4.155 4.350 0.001 0.000 0.267 240 T C 2.288 177.035 174.700 0.078 0.000 1.040 240 T CA 1.964 64.089 62.100 0.040 0.000 1.156 240 T CB -0.518 68.312 68.868 -0.063 0.000 0.863 240 T HN 0.568 nan 8.240 nan 0.000 0.430 241 S N 0.581 116.422 115.700 0.235 0.000 2.353 241 S HA -0.165 4.305 4.470 0.001 0.000 0.222 241 S C 2.383 177.054 174.600 0.119 0.000 1.035 241 S CA 1.914 60.254 58.200 0.233 0.000 1.025 241 S CB -0.611 62.758 63.200 0.281 0.000 0.902 241 S HN 0.467 nan 8.310 nan 0.000 0.440 242 S N 1.407 117.176 115.700 0.115 0.000 2.359 242 S HA -0.050 4.420 4.470 0.001 0.000 0.224 242 S C 2.234 176.869 174.600 0.059 0.000 1.035 242 S CA 1.188 59.434 58.200 0.076 0.000 1.018 242 S CB -0.792 62.451 63.200 0.071 0.000 0.876 242 S HN 0.729 nan 8.310 nan 0.000 0.448 243 A N 1.135 124.000 122.820 0.075 0.000 1.933 243 A HA -0.054 4.266 4.320 0.001 0.000 0.218 243 A C 2.062 179.739 177.584 0.154 0.000 1.175 243 A CA 1.170 53.271 52.037 0.106 0.000 0.628 243 A CB -0.679 18.399 19.000 0.130 0.000 0.814 243 A HN 0.488 nan 8.150 nan 0.000 0.444 244 I N -0.679 119.954 120.570 0.104 0.000 2.142 244 I HA -0.216 3.955 4.170 0.001 0.000 0.240 244 I C 2.384 178.558 176.117 0.095 0.000 1.078 244 I CA 1.148 62.508 61.300 0.100 0.000 1.343 244 I CB -0.377 37.654 38.000 0.052 0.000 1.046 244 I HN 0.155 nan 8.210 nan 0.000 0.405 245 V N 0.854 120.803 119.914 0.059 0.000 2.252 245 V HA -0.325 3.795 4.120 0.001 0.000 0.249 245 V C 2.588 178.692 176.094 0.017 0.000 1.056 245 V CA 1.767 64.088 62.300 0.034 0.000 1.022 245 V CB -0.732 31.104 31.823 0.022 0.000 0.641 245 V HN 0.350 nan 8.190 nan 0.000 0.445 246 K N -0.908 119.483 120.400 -0.015 0.000 2.032 246 K HA -0.182 4.138 4.320 0.001 0.000 0.209 246 K C 2.072 178.586 176.600 -0.144 0.000 1.048 246 K CA 1.864 58.084 56.287 -0.111 0.000 0.927 246 K CB -0.629 31.753 32.500 -0.198 0.000 0.712 246 K HN 0.549 nan 8.250 nan 0.000 0.441 247 Y N 0.716 121.017 120.300 0.001 0.000 2.220 247 Y HA -0.154 4.397 4.550 0.000 0.000 0.291 247 Y C 2.257 178.157 175.900 -0.000 0.000 1.129 247 Y CA 1.007 59.106 58.100 -0.001 0.000 1.161 247 Y CB -0.622 37.840 38.460 0.004 0.000 0.997 247 Y HN -0.077 nan 8.280 nan 0.000 0.522 248 V N -1.800 118.208 119.914 0.156 0.000 2.759 248 V HA -0.167 3.954 4.120 0.001 0.000 0.256 248 V C 2.055 178.184 176.094 0.058 0.000 1.080 248 V CA 1.764 64.120 62.300 0.094 0.000 1.101 248 V CB -1.164 30.700 31.823 0.068 0.000 0.698 248 V HN 0.450 nan 8.190 nan 0.000 0.477 249 S N 0.146 115.867 115.700 0.035 0.000 2.481 249 S HA -0.119 4.352 4.470 0.001 0.000 0.231 249 S C 1.719 176.322 174.600 0.005 0.000 0.996 249 S CA 1.193 59.398 58.200 0.009 0.000 0.942 249 S CB -0.512 62.679 63.200 -0.014 0.000 0.768 249 S HN 0.761 nan 8.310 nan 0.000 0.520 250 Q N 0.293 120.106 119.800 0.022 0.000 2.204 250 Q HA 0.391 4.732 4.340 0.001 0.000 0.209 250 Q C -0.211 175.823 176.000 0.058 0.000 0.861 250 Q CA -0.342 55.476 55.803 0.024 0.000 0.971 250 Q CB 0.141 28.888 28.738 0.013 0.000 1.095 250 Q HN 0.433 nan 8.270 nan 0.000 0.486 251 R N -0.457 120.080 120.500 0.061 0.000 3.641 251 R HA -0.199 4.141 4.340 0.001 0.000 0.286 251 R C -0.613 175.731 176.300 0.073 0.000 1.153 251 R CA 0.390 56.527 56.100 0.062 0.000 0.775 251 R CB -1.818 28.512 30.300 0.050 0.000 1.215 251 R HN 0.296 nan 8.270 nan 0.000 0.474 252 A N 0.354 123.232 122.820 0.097 0.000 2.354 252 A HA 0.603 4.923 4.320 0.001 0.000 0.269 252 A C 0.911 178.521 177.584 0.042 0.000 1.109 252 A CA 0.323 52.402 52.037 0.070 0.000 0.800 252 A CB 0.771 19.817 19.000 0.078 0.000 1.045 252 A HN 0.324 nan 8.150 nan 0.000 0.489 253 G N 0.778 109.589 108.800 0.018 0.000 2.467 253 G HA2 0.501 4.462 3.960 0.001 0.000 0.257 253 G HA3 0.501 4.462 3.960 0.001 0.000 0.257 253 G C -0.266 174.626 174.900 -0.012 0.000 1.227 253 G CA -0.355 44.754 45.100 0.016 0.000 0.835 253 G HN 0.555 nan 8.290 nan 0.000 0.556 254 I N 1.246 121.816 120.570 0.001 0.000 2.465 254 I HA 0.413 4.583 4.170 0.001 0.000 0.291 254 I C 0.579 176.707 176.117 0.018 0.000 1.014 254 I CA -0.695 60.596 61.300 -0.015 0.000 1.093 254 I CB 1.296 39.288 38.000 -0.014 0.000 1.267 254 I HN 0.532 nan 8.210 nan 0.000 0.431 255 G N 6.903 115.723 108.800 0.034 0.000 2.384 255 G HA2 0.697 4.657 3.960 0.001 0.000 0.316 255 G HA3 0.697 4.657 3.960 0.001 0.000 0.316 255 G C -0.620 174.336 174.900 0.093 0.000 1.160 255 G CA -0.331 44.863 45.100 0.157 0.000 0.936 255 G HN 0.492 nan 8.290 nan 0.000 0.455 256 I N 2.331 122.968 120.570 0.111 0.000 2.362 256 I HA 0.195 4.366 4.170 0.001 0.000 0.289 256 I C -0.343 175.860 176.117 0.143 0.000 0.994 256 I CA -1.020 60.272 61.300 -0.012 0.000 1.158 256 I CB 1.871 39.743 38.000 -0.213 0.000 1.315 256 I HN 0.304 nan 8.210 nan 0.000 0.451 257 N N 5.369 124.121 118.700 0.088 0.000 2.408 257 N HA 0.433 5.174 4.740 0.001 0.000 0.257 257 N C 0.005 175.590 175.510 0.125 0.000 1.064 257 N CA -0.116 53.032 53.050 0.164 0.000 0.952 257 N CB 1.614 40.153 38.487 0.087 0.000 1.093 257 N HN 0.762 nan 8.380 nan 0.000 0.490 258 A N 2.289 125.236 122.820 0.212 0.000 2.603 258 A HA 0.332 4.653 4.320 0.001 0.000 0.277 258 A C 1.469 179.268 177.584 0.358 0.000 1.158 258 A CA 0.095 52.291 52.037 0.267 0.000 0.962 258 A CB -0.172 18.983 19.000 0.257 0.000 1.189 258 A HN 0.629 nan 8.150 nan 0.000 0.552 259 G N -0.035 108.991 108.800 0.376 0.000 2.498 259 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 259 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 259 G C 1.435 176.523 174.900 0.315 0.000 1.119 259 G CA 0.579 45.925 45.100 0.410 0.000 0.766 259 G HN 0.466 nan 8.290 nan 0.000 0.552 260 R N -0.532 120.031 120.500 0.105 0.000 2.275 260 R HA 0.211 4.551 4.340 0.001 0.000 0.199 260 R C 0.375 176.699 176.300 0.039 0.000 0.989 260 R CA -0.266 55.764 56.100 -0.117 0.000 1.016 260 R CB -0.050 30.052 30.300 -0.329 0.000 0.918 260 R HN 0.323 nan 8.270 nan 0.000 0.473 261 I N 3.480 124.170 120.570 0.200 0.000 2.587 261 I HA -0.052 4.119 4.170 0.001 0.000 0.284 261 I C 0.881 177.165 176.117 0.279 0.000 1.134 261 I CA 0.090 61.541 61.300 0.252 0.000 1.410 261 I CB 0.398 38.648 38.000 0.417 0.000 1.392 261 I HN 0.127 nan 8.210 nan 0.000 0.545 262 R N 6.207 126.752 120.500 0.075 0.000 2.784 262 R HA 0.495 4.835 4.340 0.001 0.000 0.266 262 R C -0.179 176.236 176.300 0.191 0.000 1.044 262 R CA -0.603 55.527 56.100 0.049 0.000 1.151 262 R CB 0.449 30.662 30.300 -0.145 0.000 1.037 262 R HN 0.604 nan 8.270 nan 0.000 0.478 263 A N 2.817 125.692 122.820 0.093 0.000 2.304 263 A HA 0.257 4.577 4.320 0.001 0.000 0.271 263 A C -0.085 177.552 177.584 0.089 0.000 1.091 263 A CA -0.807 51.306 52.037 0.126 0.000 0.812 263 A CB 0.409 19.412 19.000 0.006 0.000 1.056 263 A HN 0.759 nan 8.150 nan 0.000 0.489 264 L N 1.582 122.849 121.223 0.074 0.000 2.678 264 L HA 0.330 4.671 4.340 0.001 0.000 0.285 264 L C 1.252 178.131 176.870 0.015 0.000 1.233 264 L CA 2.292 57.157 54.840 0.042 0.000 0.920 264 L CB -0.341 41.723 42.059 0.008 0.000 1.176 264 L HN 1.732 nan 8.230 nan 0.000 0.495 265 G N 2.251 111.055 108.800 0.007 0.000 2.175 265 G HA2 -0.243 3.718 3.960 0.001 0.000 0.244 265 G HA3 -0.243 3.718 3.960 0.001 0.000 0.244 265 G C 0.374 175.165 174.900 -0.183 0.000 0.982 265 G CA 0.153 45.230 45.100 -0.038 0.000 0.641 265 G HN 0.888 nan 8.290 nan 0.000 0.527 266 S N 2.558 118.142 115.700 -0.193 0.000 2.548 266 S HA 0.522 4.992 4.470 0.001 0.000 0.277 266 S C -1.720 172.669 174.600 -0.351 0.000 1.315 266 S CA -0.750 57.334 58.200 -0.193 0.000 1.050 266 S CB 1.266 64.412 63.200 -0.090 0.000 0.918 266 S HN 0.279 nan 8.310 nan 0.000 0.497 267 P HA -0.112 nan 4.420 nan 0.000 0.267 267 P C -0.345 176.909 177.300 -0.076 0.000 1.158 267 P CA 0.500 63.514 63.100 -0.143 0.000 0.756 267 P CB -0.021 31.645 31.700 -0.057 0.000 0.766 268 I N 2.713 123.342 120.570 0.097 0.000 2.691 268 I HA -0.048 4.122 4.170 0.001 0.000 0.288 268 I C 1.808 177.997 176.117 0.119 0.000 1.143 268 I CA 0.129 61.554 61.300 0.208 0.000 1.364 268 I CB -0.137 38.003 38.000 0.233 0.000 1.435 268 I HN 0.292 nan 8.210 nan 0.000 0.551 269 R N 6.128 126.704 120.500 0.126 0.000 2.369 269 R HA 0.057 4.397 4.340 0.001 0.000 0.200 269 R C 0.660 177.014 176.300 0.090 0.000 1.046 269 R CA 0.626 56.782 56.100 0.094 0.000 1.057 269 R CB -0.775 29.593 30.300 0.115 0.000 0.888 269 R HN 0.858 nan 8.270 nan 0.000 0.474 270 G N -0.903 107.953 108.800 0.094 0.000 3.414 270 G HA2 0.161 4.121 3.960 0.001 0.000 0.504 270 G HA3 0.161 4.121 3.960 0.001 0.000 0.504 270 G C 0.722 175.671 174.900 0.081 0.000 0.936 270 G CA -0.011 45.133 45.100 0.075 0.000 0.748 270 G HN 0.949 nan 8.290 nan 0.000 0.408 271 G N 1.972 110.817 108.800 0.074 0.000 5.452 271 G HA2 -0.311 3.650 3.960 0.001 0.000 0.310 271 G HA3 -0.311 3.650 3.960 0.001 0.000 0.310 271 G C 0.559 175.507 174.900 0.080 0.000 1.392 271 G CA 0.816 45.954 45.100 0.064 0.000 0.942 271 G HN 1.685 nan 8.290 nan 0.000 0.776 272 E N 2.652 122.917 120.200 0.107 0.000 2.672 272 E HA 0.321 4.672 4.350 0.001 0.000 0.234 272 E C 0.638 177.342 176.600 0.173 0.000 1.162 272 E CA 0.311 56.792 56.400 0.135 0.000 0.952 272 E CB 0.088 29.927 29.700 0.232 0.000 0.987 272 E HN 0.849 nan 8.360 nan 0.000 0.507 273 A N 4.241 127.098 122.820 0.061 0.000 2.805 273 A HA 0.186 4.506 4.320 0.001 0.000 0.301 273 A C 0.027 177.650 177.584 0.065 0.000 1.557 273 A CA -0.297 51.796 52.037 0.094 0.000 1.254 273 A CB -0.507 18.519 19.000 0.043 0.000 1.114 273 A HN 0.542 nan 8.150 nan 0.000 0.553 274 F N 0.060 120.128 119.950 0.197 0.000 2.664 274 F HA 0.111 4.638 4.527 0.001 0.000 0.303 274 F C 1.957 177.831 175.800 0.123 0.000 1.092 274 F CA 0.071 58.193 58.000 0.203 0.000 1.305 274 F CB -0.001 39.071 39.000 0.119 0.000 1.054 274 F HN 0.708 nan 8.300 nan 0.000 0.565 275 H N -0.001 119.181 119.070 0.186 0.000 2.319 275 H HA -0.159 4.397 4.556 0.000 0.000 0.297 275 H C 2.239 177.602 175.328 0.057 0.000 1.097 275 H CA 2.333 58.439 56.048 0.098 0.000 1.285 275 H CB -0.221 29.570 29.762 0.049 0.000 1.368 275 H HN 0.255 nan 8.280 nan 0.000 0.495 276 T N -2.058 112.580 114.554 0.140 0.000 3.085 276 T HA 0.293 4.644 4.350 0.001 0.000 0.263 276 T C 1.168 175.847 174.700 -0.035 0.000 1.127 276 T CA 0.639 62.742 62.100 0.004 0.000 1.103 276 T CB 0.223 69.028 68.868 -0.105 0.000 0.921 276 T HN 0.676 nan 8.240 nan 0.000 0.510 277 G N -0.271 108.565 108.800 0.060 0.000 2.548 277 G HA2 -0.200 3.760 3.960 0.001 0.000 0.208 277 G HA3 -0.200 3.760 3.960 0.001 0.000 0.208 277 G C 0.732 175.684 174.900 0.087 0.000 1.308 277 G CA -0.466 44.688 45.100 0.090 0.000 0.924 277 G HN 0.311 nan 8.290 nan 0.000 0.540 278 C N -0.205 119.087 119.300 -0.014 0.000 2.486 278 C HA 0.167 4.627 4.460 0.001 0.000 0.279 278 C C 3.063 177.857 174.990 -0.327 0.000 1.302 278 C CA 1.437 60.378 59.018 -0.129 0.000 1.720 278 C CB -1.547 25.898 27.740 -0.492 0.000 2.030 278 C HN 0.502 nan 8.230 nan 0.000 0.490 279 I N 1.634 121.969 120.570 -0.392 0.000 2.163 279 I HA -0.152 4.018 4.170 0.001 0.000 0.243 279 I C -0.604 175.421 176.117 -0.152 0.000 1.085 279 I CA 1.728 62.839 61.300 -0.315 0.000 1.347 279 I CB -1.636 36.216 38.000 -0.247 0.000 1.044 279 I HN 0.225 nan 8.210 nan 0.000 0.408 280 P HA -0.159 nan 4.420 nan 0.000 0.218 280 P C 1.514 178.623 177.300 -0.317 0.000 1.148 280 P CA 1.557 64.463 63.100 -0.324 0.000 0.822 280 P CB -0.081 31.303 31.700 -0.525 0.000 0.784 281 F N -2.571 117.316 119.950 -0.106 0.000 2.163 281 F HA -0.126 4.402 4.527 0.002 0.000 0.297 281 F C 2.281 177.922 175.800 -0.266 0.000 1.094 281 F CA 0.965 58.834 58.000 -0.218 0.000 1.290 281 F CB -1.717 37.179 39.000 -0.173 0.000 1.017 281 F HN -0.106 nan 8.300 nan 0.000 0.483 282 Y N 0.873 121.161 120.300 -0.019 0.000 2.207 282 Y HA -0.226 4.324 4.550 0.000 0.000 0.287 282 Y C 2.258 178.222 175.900 0.107 0.000 1.156 282 Y CA 0.931 59.107 58.100 0.126 0.000 1.182 282 Y CB -1.166 37.416 38.460 0.202 0.000 0.979 282 Y HN 0.075 nan 8.280 nan 0.000 0.521 283 K N -1.364 119.162 120.400 0.210 0.000 2.097 283 K HA -0.205 4.115 4.320 0.001 0.000 0.205 283 K C 1.936 178.622 176.600 0.143 0.000 1.050 283 K CA 1.467 57.846 56.287 0.153 0.000 0.938 283 K CB -0.287 32.262 32.500 0.082 0.000 0.718 283 K HN 0.287 nan 8.250 nan 0.000 0.442 284 H N -0.221 118.830 119.070 -0.031 0.000 2.389 284 H HA -0.065 4.491 4.556 0.000 0.000 0.299 284 H C 1.401 176.768 175.328 0.066 0.000 1.081 284 H CA 1.505 57.531 56.048 -0.037 0.000 1.345 284 H CB 0.025 29.727 29.762 -0.101 0.000 1.393 284 H HN 0.054 nan 8.280 nan 0.000 0.520 285 F N 0.588 120.613 119.950 0.125 0.000 2.186 285 F HA -0.099 4.428 4.527 0.001 0.000 0.299 285 F C 2.772 178.576 175.800 0.007 0.000 1.090 285 F CA 1.320 59.335 58.000 0.025 0.000 1.307 285 F CB -0.976 38.056 39.000 0.054 0.000 1.019 285 F HN 0.324 nan 8.300 nan 0.000 0.489 286 Q N 0.511 120.445 119.800 0.223 0.000 2.084 286 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 286 Q C 2.112 178.171 176.000 0.100 0.000 0.978 286 Q CA 2.542 58.438 55.803 0.156 0.000 0.844 286 Q CB -0.206 28.640 28.738 0.180 0.000 0.898 286 Q HN 0.504 nan 8.270 nan 0.000 0.426 287 T N -1.809 112.787 114.554 0.069 0.000 2.867 287 T HA 0.032 4.383 4.350 0.001 0.000 0.268 287 T C 1.879 176.579 174.700 0.001 0.000 1.057 287 T CA 0.924 63.044 62.100 0.033 0.000 1.136 287 T CB -0.416 68.474 68.868 0.036 0.000 0.874 287 T HN 0.360 nan 8.240 nan 0.000 0.466 288 A N 1.304 124.106 122.820 -0.029 0.000 1.877 288 A HA 0.049 4.369 4.320 0.001 0.000 0.216 288 A C 2.626 180.227 177.584 0.029 0.000 1.186 288 A CA 1.583 53.609 52.037 -0.018 0.000 0.620 288 A CB -1.156 17.841 19.000 -0.006 0.000 0.822 288 A HN 0.395 nan 8.150 nan 0.000 0.443 289 V N 0.284 120.230 119.914 0.053 0.000 2.407 289 V HA -0.162 3.958 4.120 0.001 0.000 0.248 289 V C 1.903 178.021 176.094 0.040 0.000 1.055 289 V CA 1.939 64.270 62.300 0.052 0.000 1.049 289 V CB -0.466 31.392 31.823 0.058 0.000 0.662 289 V HN 0.398 nan 8.190 nan 0.000 0.455 290 K N 0.513 120.933 120.400 0.034 0.000 2.417 290 K HA 0.129 4.449 4.320 0.001 0.000 0.196 290 K C 2.051 178.658 176.600 0.011 0.000 1.023 290 K CA 0.808 57.105 56.287 0.016 0.000 1.122 290 K CB -0.049 32.452 32.500 0.001 0.000 0.850 290 K HN 0.659 nan 8.250 nan 0.000 0.521 291 S N -0.766 114.943 115.700 0.015 0.000 2.474 291 S HA -0.110 4.360 4.470 0.001 0.000 0.235 291 S C 1.405 176.011 174.600 0.011 0.000 0.997 291 S CA 0.441 58.648 58.200 0.012 0.000 0.949 291 S CB -0.340 62.867 63.200 0.011 0.000 0.766 291 S HN 0.253 nan 8.310 nan 0.000 0.517 292 C N 2.329 121.637 119.300 0.013 0.000 2.660 292 C HA 0.603 5.064 4.460 0.001 0.000 0.265 292 C C 0.259 175.256 174.990 0.011 0.000 1.573 292 C CA -0.942 58.083 59.018 0.012 0.000 1.751 292 C CB -1.394 26.355 27.740 0.015 0.000 3.033 292 C HN 0.399 nan 8.230 nan 0.000 0.511 293 S N 0.955 116.658 115.700 0.006 0.000 2.519 293 S HA 0.224 4.695 4.470 0.001 0.000 0.309 293 S C 0.975 175.573 174.600 -0.004 0.000 1.100 293 S CA -0.558 57.644 58.200 0.002 0.000 1.059 293 S CB 1.410 64.608 63.200 -0.003 0.000 1.008 293 S HN 0.697 nan 8.310 nan 0.000 0.478 294 Q N 3.180 122.980 119.800 -0.001 0.000 2.014 294 Q HA -0.159 4.181 4.340 0.001 0.000 0.207 294 Q C 1.791 177.786 176.000 -0.008 0.000 0.993 294 Q CA 2.293 58.095 55.803 -0.002 0.000 0.850 294 Q CB -0.936 27.803 28.738 0.003 0.000 0.916 294 Q HN 0.792 nan 8.270 nan 0.000 0.417 295 G N -0.201 108.591 108.800 -0.014 0.000 2.408 295 G HA2 0.106 4.066 3.960 0.001 0.000 0.217 295 G HA3 0.106 4.066 3.960 0.001 0.000 0.217 295 G C 1.169 176.046 174.900 -0.038 0.000 1.150 295 G CA 0.953 46.038 45.100 -0.024 0.000 0.776 295 G HN 0.910 nan 8.290 nan 0.000 0.542 296 G N -1.643 107.129 108.800 -0.046 0.000 2.179 296 G HA2 -0.189 3.772 3.960 0.001 0.000 0.220 296 G HA3 -0.189 3.772 3.960 0.001 0.000 0.220 296 G C 1.062 175.883 174.900 -0.132 0.000 0.990 296 G CA 0.897 45.957 45.100 -0.066 0.000 0.646 296 G HN 1.456 nan 8.290 nan 0.000 0.517 297 V N -4.181 115.658 119.914 -0.125 0.000 3.251 297 V HA 0.522 4.643 4.120 0.001 0.000 0.239 297 V C 1.075 177.139 176.094 -0.050 0.000 1.332 297 V CA 0.191 62.399 62.300 -0.153 0.000 1.224 297 V CB 0.031 31.742 31.823 -0.187 0.000 1.004 297 V HN 0.115 nan 8.190 nan 0.000 0.464 298 R N 2.740 123.223 120.500 -0.027 0.000 2.351 298 R HA 0.564 4.904 4.340 0.001 0.000 0.321 298 R C 0.548 176.855 176.300 0.010 0.000 1.182 298 R CA 1.177 57.277 56.100 0.001 0.000 1.011 298 R CB -0.171 30.131 30.300 0.004 0.000 1.048 298 R HN 0.959 nan 8.270 nan 0.000 0.490 299 G N 0.530 109.343 108.800 0.022 0.000 2.555 299 G HA2 0.186 4.147 3.960 0.001 0.000 0.686 299 G HA3 0.186 4.147 3.960 0.001 0.000 0.686 299 G C -0.229 174.690 174.900 0.031 0.000 1.275 299 G CA -0.305 44.813 45.100 0.030 0.000 0.871 299 G HN 0.807 nan 8.290 nan 0.000 0.603 300 G N -1.322 107.501 108.800 0.039 0.000 3.445 300 G HA2 0.525 4.485 3.960 0.001 0.000 0.634 300 G HA3 0.525 4.485 3.960 0.001 0.000 0.634 300 G C 0.212 175.141 174.900 0.047 0.000 0.909 300 G CA 0.960 46.085 45.100 0.042 0.000 0.740 300 G HN 2.729 nan 8.290 nan 0.000 0.441 301 A N 1.670 124.520 122.820 0.050 0.000 2.422 301 A HA 1.169 5.490 4.320 0.001 0.000 0.302 301 A C 0.124 177.732 177.584 0.039 0.000 1.041 301 A CA 0.243 52.312 52.037 0.054 0.000 0.708 301 A CB 1.858 20.900 19.000 0.070 0.000 1.257 301 A HN 2.697 nan 8.150 nan 0.000 0.414 302 A N 0.980 123.813 122.820 0.021 0.000 2.549 302 A HA 0.851 5.171 4.320 0.001 0.000 0.297 302 A C -0.525 177.020 177.584 -0.066 0.000 1.061 302 A CA -0.440 51.590 52.037 -0.012 0.000 0.690 302 A CB 1.451 20.436 19.000 -0.026 0.000 1.287 302 A HN 0.885 nan 8.150 nan 0.000 0.402 303 T N 2.003 116.517 114.554 -0.066 0.000 2.792 303 T HA 0.555 4.906 4.350 0.001 0.000 0.280 303 T C -0.665 173.845 174.700 -0.317 0.000 0.990 303 T CA -0.145 61.832 62.100 -0.205 0.000 0.960 303 T CB 0.865 69.687 68.868 -0.076 0.000 0.939 303 T HN 0.590 nan 8.240 nan 0.000 0.439 304 L N 3.896 124.821 121.223 -0.496 0.000 2.317 304 L HA 0.736 5.077 4.340 0.001 0.000 0.281 304 L C -1.505 175.180 176.870 -0.309 0.000 1.024 304 L CA -0.746 53.923 54.840 -0.284 0.000 0.810 304 L CB 0.697 42.613 42.059 -0.238 0.000 1.240 304 L HN 0.533 nan 8.230 nan 0.000 0.427 305 F N 4.242 124.236 119.950 0.074 0.000 2.508 305 F HA 0.617 5.145 4.527 0.002 0.000 0.325 305 F C -0.549 175.372 175.800 0.202 0.000 1.090 305 F CA -0.429 57.610 58.000 0.065 0.000 0.945 305 F CB 1.616 40.660 39.000 0.074 0.000 1.156 305 F HN 0.383 nan 8.300 nan 0.000 0.463 306 Y N 0.416 120.923 120.300 0.345 0.000 2.624 306 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 306 Y C -3.476 172.511 175.900 0.145 0.000 1.155 306 Y CA -3.696 54.544 58.100 0.233 0.000 1.046 306 Y CB 0.720 39.252 38.460 0.120 0.000 1.316 306 Y HN 0.210 nan 8.280 nan 0.000 0.457 307 P HA 0.211 nan 4.420 nan 0.000 0.278 307 P C 0.683 177.865 177.300 -0.196 0.000 1.238 307 P CA -0.566 62.393 63.100 -0.235 0.000 0.794 307 P CB 1.253 32.234 31.700 -1.198 0.000 0.955 308 M N 2.798 122.312 119.600 -0.145 0.000 2.202 308 M HA -0.091 4.390 4.480 0.001 0.000 0.262 308 M C 0.706 177.015 176.300 0.016 0.000 1.063 308 M CA 1.826 57.104 55.300 -0.036 0.000 1.097 308 M CB -0.316 32.244 32.600 -0.067 0.000 1.382 308 M HN 0.454 nan 8.290 nan 0.000 0.413 309 W N -0.674 120.652 121.300 0.044 0.000 3.388 309 W HA 0.192 4.853 4.660 0.001 0.000 0.324 309 W C 0.034 176.639 176.519 0.143 0.000 1.250 309 W CA -0.572 56.832 57.345 0.099 0.000 1.809 309 W CB -1.523 28.041 29.460 0.174 0.000 1.083 309 W HN 0.118 nan 8.180 nan 0.000 0.685 310 H N 2.482 121.466 119.070 -0.143 0.000 2.964 310 H HA -0.056 4.500 4.556 0.001 0.000 0.328 310 H C 1.182 176.525 175.328 0.025 0.000 1.030 310 H CA 0.513 56.512 56.048 -0.082 0.000 1.445 310 H CB 1.723 31.382 29.762 -0.172 0.000 1.449 310 H HN 0.081 nan 8.280 nan 0.000 0.581 311 L N 4.785 125.967 121.223 -0.069 0.000 2.137 311 L HA -0.206 4.135 4.340 0.001 0.000 0.213 311 L C 1.767 178.672 176.870 0.057 0.000 1.085 311 L CA 1.880 56.715 54.840 -0.008 0.000 0.760 311 L CB -0.231 41.787 42.059 -0.068 0.000 0.893 311 L HN 0.717 nan 8.230 nan 0.000 0.434 312 E N -1.550 118.775 120.200 0.208 0.000 2.489 312 E HA -0.076 4.275 4.350 0.001 0.000 0.193 312 E C 2.153 178.704 176.600 -0.082 0.000 1.057 312 E CA 0.470 56.898 56.400 0.047 0.000 0.866 312 E CB 0.082 29.782 29.700 -0.000 0.000 0.916 312 E HN 0.413 nan 8.360 nan 0.000 0.500 313 V N 1.685 121.571 119.914 -0.047 0.000 2.313 313 V HA -0.370 3.750 4.120 0.001 0.000 0.253 313 V C 1.915 177.948 176.094 -0.102 0.000 1.070 313 V CA 2.234 64.469 62.300 -0.109 0.000 1.057 313 V CB -0.133 31.700 31.823 0.016 0.000 0.653 313 V HN 0.271 nan 8.190 nan 0.000 0.450 314 E N -0.589 119.571 120.200 -0.067 0.000 2.110 314 E HA -0.170 4.181 4.350 0.001 0.000 0.193 314 E C 2.328 178.872 176.600 -0.092 0.000 0.988 314 E CA 1.609 57.972 56.400 -0.062 0.000 0.804 314 E CB -0.154 29.520 29.700 -0.043 0.000 0.745 314 E HN 0.660 nan 8.360 nan 0.000 0.458 315 S N 0.227 115.852 115.700 -0.125 0.000 2.414 315 S HA 0.003 4.473 4.470 0.001 0.000 0.227 315 S C 1.892 176.364 174.600 -0.215 0.000 1.022 315 S CA 0.454 58.564 58.200 -0.151 0.000 0.958 315 S CB 0.031 63.138 63.200 -0.156 0.000 0.797 315 S HN 0.189 nan 8.310 nan 0.000 0.493 316 L N 0.692 121.736 121.223 -0.299 0.000 2.072 316 L HA -0.015 4.325 4.340 0.001 0.000 0.205 316 L C 2.005 178.702 176.870 -0.287 0.000 1.079 316 L CA 0.566 55.150 54.840 -0.427 0.000 0.752 316 L CB -0.656 40.901 42.059 -0.837 0.000 0.906 316 L HN 0.255 nan 8.230 nan 0.000 0.436 317 L N 0.234 121.375 121.223 -0.136 0.000 2.189 317 L HA -0.142 4.198 4.340 0.001 0.000 0.214 317 L C 2.128 178.945 176.870 -0.087 0.000 1.097 317 L CA 1.573 56.384 54.840 -0.048 0.000 0.764 317 L CB -0.798 41.251 42.059 -0.017 0.000 0.900 317 L HN 0.273 nan 8.230 nan 0.000 0.436 318 V N -5.084 114.764 119.914 -0.111 0.000 3.342 318 V HA 0.139 4.259 4.120 0.001 0.000 0.322 318 V C 1.815 177.849 176.094 -0.100 0.000 1.370 318 V CA 0.043 62.291 62.300 -0.087 0.000 1.170 318 V CB -0.518 31.264 31.823 -0.067 0.000 1.101 318 V HN 0.223 nan 8.190 nan 0.000 0.442 319 L N 1.107 122.233 121.223 -0.161 0.000 2.191 319 L HA -0.066 4.274 4.340 0.001 0.000 0.212 319 L C 2.518 179.372 176.870 -0.025 0.000 1.103 319 L CA 2.009 56.771 54.840 -0.130 0.000 0.769 319 L CB -0.251 41.651 42.059 -0.262 0.000 0.908 319 L HN 0.555 nan 8.230 nan 0.000 0.438 320 K N -1.355 119.043 120.400 -0.002 0.000 2.358 320 K HA 0.084 4.404 4.320 0.001 0.000 0.200 320 K C 0.564 177.151 176.600 -0.023 0.000 1.030 320 K CA -0.343 55.949 56.287 0.008 0.000 1.097 320 K CB -0.088 32.443 32.500 0.052 0.000 0.862 320 K HN 0.086 nan 8.250 nan 0.000 0.534 321 N N 2.395 121.077 118.700 -0.028 0.000 2.293 321 N HA -0.081 4.660 4.740 0.001 0.000 0.253 321 N C -0.036 175.458 175.510 -0.028 0.000 1.248 321 N CA 0.382 53.415 53.050 -0.028 0.000 0.845 321 N CB 0.641 39.109 38.487 -0.032 0.000 1.073 321 N HN 0.140 nan 8.380 nan 0.000 0.464 322 N N 2.747 121.434 118.700 -0.022 0.000 2.006 322 N HA -0.140 4.601 4.740 0.001 0.000 0.196 322 N C 0.084 175.585 175.510 -0.016 0.000 1.057 322 N CA 1.602 54.641 53.050 -0.017 0.000 0.853 322 N CB -0.079 38.402 38.487 -0.010 0.000 1.051 322 N HN 0.535 nan 8.380 nan 0.000 0.423 323 R N 0.137 120.628 120.500 -0.015 0.000 2.247 323 R HA 0.567 4.907 4.340 0.001 0.000 0.329 323 R C -0.110 176.180 176.300 -0.018 0.000 1.014 323 R CA -0.393 55.700 56.100 -0.013 0.000 0.907 323 R CB 1.310 31.605 30.300 -0.009 0.000 1.146 323 R HN 0.222 nan 8.270 nan 0.000 0.499 324 G N 0.657 109.445 108.800 -0.020 0.000 3.140 324 G HA2 0.382 4.343 3.960 0.001 0.000 0.271 324 G HA3 0.382 4.343 3.960 0.001 0.000 0.271 324 G C -0.979 173.910 174.900 -0.019 0.000 1.370 324 G CA -0.545 44.541 45.100 -0.023 0.000 1.014 324 G HN 0.356 nan 8.290 nan 0.000 0.541 325 V N -0.148 119.752 119.914 -0.022 0.000 2.963 325 V HA 0.208 4.328 4.120 0.001 0.000 0.306 325 V C 1.688 177.771 176.094 -0.018 0.000 1.077 325 V CA 0.388 62.676 62.300 -0.020 0.000 1.124 325 V CB 1.534 33.343 31.823 -0.023 0.000 0.987 325 V HN 0.845 nan 8.190 nan 0.000 0.487 326 E N 3.965 124.158 120.200 -0.012 0.000 2.160 326 E HA -0.049 4.302 4.350 0.001 0.000 0.195 326 E C 1.788 178.382 176.600 -0.009 0.000 0.991 326 E CA 1.794 58.192 56.400 -0.004 0.000 0.810 326 E CB -0.694 29.009 29.700 0.004 0.000 0.742 326 E HN 0.920 nan 8.360 nan 0.000 0.466 327 G N -0.671 108.116 108.800 -0.022 0.000 2.920 327 G HA2 -0.119 3.841 3.960 0.001 0.000 0.208 327 G HA3 -0.119 3.841 3.960 0.001 0.000 0.208 327 G C 0.975 175.847 174.900 -0.047 0.000 1.159 327 G CA 0.102 45.181 45.100 -0.035 0.000 0.784 327 G HN 0.259 nan 8.290 nan 0.000 0.535 328 N N -0.420 118.255 118.700 -0.042 0.000 2.187 328 N HA 0.143 4.884 4.740 0.001 0.000 0.212 328 N C -0.210 175.269 175.510 -0.052 0.000 1.152 328 N CA -0.304 52.712 53.050 -0.057 0.000 0.872 328 N CB 0.597 39.052 38.487 -0.054 0.000 1.025 328 N HN -0.050 nan 8.380 nan 0.000 0.514 329 R N 0.765 121.248 120.500 -0.028 0.000 2.686 329 R HA 0.464 4.804 4.340 0.001 0.000 0.283 329 R C -1.142 175.175 176.300 0.027 0.000 0.978 329 R CA -0.659 55.432 56.100 -0.014 0.000 0.897 329 R CB 2.119 32.407 30.300 -0.019 0.000 1.192 329 R HN -0.250 nan 8.270 nan 0.000 0.457 330 V N 3.851 123.807 119.914 0.069 0.000 2.454 330 V HA 0.340 4.460 4.120 0.001 0.000 0.267 330 V C 0.945 177.124 176.094 0.140 0.000 0.993 330 V CA -0.460 61.931 62.300 0.152 0.000 0.836 330 V CB 1.241 33.238 31.823 0.290 0.000 1.055 330 V HN 0.665 nan 8.190 nan 0.000 0.452 331 R N 0.466 120.935 120.500 -0.052 0.000 2.246 331 R HA 0.168 4.509 4.340 0.001 0.000 0.199 331 R C 0.710 176.822 176.300 -0.314 0.000 0.984 331 R CA 0.469 56.431 56.100 -0.229 0.000 1.015 331 R CB 0.246 30.283 30.300 -0.437 0.000 0.930 331 R HN 0.694 nan 8.270 nan 0.000 0.475 332 H N -0.373 118.746 119.070 0.082 0.000 2.503 332 H HA 0.331 4.887 4.556 -0.000 0.000 0.296 332 H C 0.000 175.336 175.328 0.013 0.000 1.097 332 H CA 0.189 56.265 56.048 0.047 0.000 1.055 332 H CB 0.196 29.986 29.762 0.046 0.000 1.580 332 H HN 0.018 nan 8.280 nan 0.000 0.546 333 M N 0.810 120.420 119.600 0.016 0.000 2.501 333 M HA 0.234 4.715 4.480 0.001 0.000 0.293 333 M C -0.889 175.176 176.300 -0.393 0.000 1.192 333 M CA -0.795 54.402 55.300 -0.171 0.000 0.886 333 M CB 2.915 35.366 32.600 -0.249 0.000 1.710 333 M HN -0.034 nan 8.290 nan 0.000 0.457 334 D N 0.799 120.952 120.400 -0.411 0.000 2.340 334 D HA 0.543 5.183 4.640 0.001 0.000 0.251 334 D C -1.352 174.446 176.300 -0.836 0.000 1.080 334 D CA 0.235 53.966 54.000 -0.448 0.000 0.971 334 D CB 1.046 41.763 40.800 -0.139 0.000 1.137 334 D HN 0.322 nan 8.370 nan 0.000 0.475 335 Y N -1.200 118.928 120.300 -0.287 0.000 2.499 335 Y HA 0.540 5.090 4.550 -0.000 0.000 0.347 335 Y C 0.726 176.392 175.900 -0.390 0.000 0.987 335 Y CA -1.151 56.767 58.100 -0.304 0.000 1.044 335 Y CB 2.366 40.767 38.460 -0.099 0.000 1.245 335 Y HN 0.333 nan 8.280 nan 0.000 0.461 336 G N 1.320 109.836 108.800 -0.473 0.000 2.502 336 G HA2 0.531 4.492 3.960 0.001 0.000 0.311 336 G HA3 0.531 4.492 3.960 0.001 0.000 0.311 336 G C -1.473 173.276 174.900 -0.252 0.000 1.270 336 G CA -0.630 44.313 45.100 -0.262 0.000 0.948 336 G HN 0.441 nan 8.290 nan 0.000 0.487 337 V N 2.803 122.611 119.914 -0.178 0.000 2.461 337 V HA 0.252 4.372 4.120 0.001 0.000 0.275 337 V C 0.208 176.300 176.094 -0.003 0.000 1.047 337 V CA -0.421 61.737 62.300 -0.236 0.000 0.955 337 V CB 1.056 32.797 31.823 -0.137 0.000 0.988 337 V HN 0.733 nan 8.190 nan 0.000 0.471 338 Q N 4.770 124.597 119.800 0.045 0.000 2.290 338 Q HA 0.710 5.050 4.340 0.001 0.000 0.259 338 Q C -0.983 175.121 176.000 0.173 0.000 0.941 338 Q CA -0.232 55.668 55.803 0.162 0.000 0.912 338 Q CB 2.063 30.985 28.738 0.306 0.000 1.244 338 Q HN 0.667 nan 8.270 nan 0.000 0.441 339 I N 1.995 122.587 120.570 0.037 0.000 2.730 339 I HA 0.440 4.610 4.170 0.001 0.000 0.298 339 I C -0.523 175.474 176.117 -0.199 0.000 1.089 339 I CA -1.063 60.205 61.300 -0.053 0.000 1.041 339 I CB 1.973 39.835 38.000 -0.230 0.000 1.235 339 I HN 0.647 nan 8.210 nan 0.000 0.423 340 N N 3.473 122.027 118.700 -0.244 0.000 2.701 340 N HA 0.338 5.079 4.740 0.001 0.000 0.290 340 N C 0.218 175.666 175.510 -0.105 0.000 1.338 340 N CA -1.021 51.876 53.050 -0.255 0.000 0.799 340 N CB 1.082 39.233 38.487 -0.559 0.000 1.491 340 N HN 0.550 nan 8.380 nan 0.000 0.540 341 K N -0.435 119.947 120.400 -0.030 0.000 2.074 341 K HA -0.088 4.233 4.320 0.001 0.000 0.209 341 K C 1.657 178.269 176.600 0.019 0.000 1.048 341 K CA 1.201 57.484 56.287 -0.006 0.000 0.926 341 K CB -0.283 32.287 32.500 0.117 0.000 0.713 341 K HN 0.560 nan 8.250 nan 0.000 0.444 342 L N 0.629 121.866 121.223 0.022 0.000 2.046 342 L HA -0.207 4.133 4.340 0.001 0.000 0.208 342 L C 2.369 179.267 176.870 0.047 0.000 1.077 342 L CA 1.072 55.946 54.840 0.057 0.000 0.747 342 L CB -0.155 41.970 42.059 0.110 0.000 0.896 342 L HN 0.286 nan 8.230 nan 0.000 0.432 343 M N -1.102 118.506 119.600 0.014 0.000 2.080 343 M HA -0.254 4.227 4.480 0.001 0.000 0.260 343 M C 2.348 178.711 176.300 0.106 0.000 1.068 343 M CA 1.901 57.232 55.300 0.052 0.000 1.109 343 M CB -1.315 31.268 32.600 -0.027 0.000 1.342 343 M HN 0.269 nan 8.290 nan 0.000 0.405 344 Y N 0.875 121.210 120.300 0.057 0.000 2.181 344 Y HA -0.158 4.392 4.550 0.001 0.000 0.288 344 Y C 2.793 178.606 175.900 -0.145 0.000 1.146 344 Y CA 1.727 59.749 58.100 -0.130 0.000 1.164 344 Y CB -1.508 36.748 38.460 -0.341 0.000 0.982 344 Y HN 0.284 nan 8.280 nan 0.000 0.515 345 T N 0.280 114.877 114.554 0.073 0.000 2.720 345 T HA -0.192 4.159 4.350 0.001 0.000 0.268 345 T C 2.024 176.747 174.700 0.039 0.000 1.037 345 T CA 1.379 63.503 62.100 0.040 0.000 1.144 345 T CB -0.137 68.760 68.868 0.048 0.000 0.864 345 T HN 0.191 nan 8.240 nan 0.000 0.444 346 R N 0.710 121.252 120.500 0.069 0.000 2.091 346 R HA -0.005 4.335 4.340 0.001 0.000 0.238 346 R C 2.405 178.732 176.300 0.046 0.000 1.136 346 R CA 0.895 57.046 56.100 0.084 0.000 0.959 346 R CB -1.339 29.047 30.300 0.142 0.000 0.856 346 R HN 0.357 nan 8.270 nan 0.000 0.437 347 L N 1.229 122.445 121.223 -0.012 0.000 1.970 347 L HA -0.154 4.187 4.340 0.001 0.000 0.212 347 L C 2.260 179.069 176.870 -0.101 0.000 1.071 347 L CA 1.709 56.461 54.840 -0.147 0.000 0.751 347 L CB -0.706 40.988 42.059 -0.608 0.000 0.889 347 L HN 0.080 nan 8.230 nan 0.000 0.432 348 L N -0.558 120.611 121.223 -0.089 0.000 2.042 348 L HA -0.251 4.089 4.340 0.001 0.000 0.210 348 L C 2.402 179.258 176.870 -0.023 0.000 1.076 348 L CA 1.635 56.443 54.840 -0.054 0.000 0.749 348 L CB -0.771 41.263 42.059 -0.042 0.000 0.893 348 L HN 0.290 nan 8.230 nan 0.000 0.432 349 K N 0.219 120.616 120.400 -0.005 0.000 2.525 349 K HA 0.044 4.364 4.320 0.001 0.000 0.192 349 K C 1.109 177.716 176.600 0.013 0.000 1.029 349 K CA 0.543 56.836 56.287 0.009 0.000 1.029 349 K CB -0.031 32.482 32.500 0.021 0.000 0.814 349 K HN 0.462 nan 8.250 nan 0.000 0.503 350 G N 2.330 111.135 108.800 0.008 0.000 2.258 350 G HA2 -0.297 3.663 3.960 0.001 0.000 0.274 350 G HA3 -0.297 3.663 3.960 0.001 0.000 0.274 350 G C -0.129 174.790 174.900 0.031 0.000 1.021 350 G CA 0.646 45.756 45.100 0.017 0.000 0.798 350 G HN 0.434 nan 8.290 nan 0.000 0.507 351 E N -0.548 119.678 120.200 0.043 0.000 3.466 351 E HA 0.465 4.816 4.350 0.001 0.000 0.265 351 E C -0.442 176.201 176.600 0.072 0.000 1.291 351 E CA -0.873 55.560 56.400 0.055 0.000 1.226 351 E CB 0.494 30.232 29.700 0.063 0.000 1.404 351 E HN 0.174 nan 8.360 nan 0.000 0.697 352 D N 0.011 120.458 120.400 0.078 0.000 2.229 352 D HA 0.395 5.036 4.640 0.001 0.000 0.249 352 D C -0.708 175.671 176.300 0.133 0.000 1.027 352 D CA -0.282 53.768 54.000 0.084 0.000 0.923 352 D CB 1.048 41.877 40.800 0.049 0.000 1.174 352 D HN 0.174 nan 8.370 nan 0.000 0.443 353 I N 0.917 121.571 120.570 0.140 0.000 2.378 353 I HA 0.184 4.355 4.170 0.001 0.000 0.291 353 I C 0.083 176.276 176.117 0.128 0.000 0.992 353 I CA -0.404 61.017 61.300 0.203 0.000 1.154 353 I CB 1.724 39.848 38.000 0.207 0.000 1.315 353 I HN 0.055 nan 8.210 nan 0.000 0.448 354 T N 7.233 121.870 114.554 0.138 0.000 2.771 354 T HA 0.485 4.835 4.350 0.001 0.000 0.291 354 T C -0.080 174.476 174.700 -0.239 0.000 0.954 354 T CA -0.435 61.540 62.100 -0.208 0.000 1.045 354 T CB 0.519 69.067 68.868 -0.534 0.000 0.917 354 T HN 0.261 nan 8.240 nan 0.000 0.484 355 L N 4.194 125.231 121.223 -0.310 0.000 2.275 355 L HA 0.582 4.922 4.340 0.001 0.000 0.288 355 L C -0.794 175.882 176.870 -0.323 0.000 1.046 355 L CA -0.669 54.102 54.840 -0.115 0.000 0.805 355 L CB 0.478 42.519 42.059 -0.029 0.000 1.193 355 L HN 0.545 nan 8.230 nan 0.000 0.426 356 F N 0.374 120.461 119.950 0.229 0.000 2.561 356 F HA 0.360 4.887 4.527 0.001 0.000 0.321 356 F C 0.575 176.422 175.800 0.077 0.000 1.065 356 F CA -0.721 57.349 58.000 0.116 0.000 0.934 356 F CB 2.097 41.138 39.000 0.068 0.000 1.215 356 F HN 0.317 nan 8.300 nan 0.000 0.471 357 S N 3.560 119.344 115.700 0.140 0.000 2.528 357 S HA 0.236 4.706 4.470 0.001 0.000 0.277 357 S C -1.457 173.193 174.600 0.083 0.000 1.297 357 S CA -1.399 56.762 58.200 -0.065 0.000 1.052 357 S CB 0.850 64.007 63.200 -0.071 0.000 0.917 357 S HN 0.400 nan 8.310 nan 0.000 0.492 358 P HA -0.116 nan 4.420 nan 0.000 0.219 358 P C 1.328 178.668 177.300 0.067 0.000 1.146 358 P CA 1.173 64.422 63.100 0.248 0.000 0.808 358 P CB -0.307 31.524 31.700 0.219 0.000 0.779 359 S N -1.502 114.183 115.700 -0.024 0.000 2.515 359 S HA -0.065 4.405 4.470 0.001 0.000 0.231 359 S C 1.203 175.745 174.600 -0.096 0.000 0.987 359 S CA 0.761 58.913 58.200 -0.080 0.000 0.936 359 S CB -0.726 62.402 63.200 -0.120 0.000 0.766 359 S HN 0.052 nan 8.310 nan 0.000 0.528 360 D N 1.228 121.565 120.400 -0.105 0.000 2.398 360 D HA 0.185 4.825 4.640 0.001 0.000 0.210 360 D C 0.054 176.130 176.300 -0.373 0.000 1.094 360 D CA 0.239 54.136 54.000 -0.172 0.000 0.839 360 D CB 1.310 42.049 40.800 -0.102 0.000 0.963 360 D HN 0.477 nan 8.370 nan 0.000 0.506 361 V N -0.856 118.812 119.914 -0.409 0.000 2.383 361 V HA 0.419 4.540 4.120 0.001 0.000 0.264 361 V C -2.928 172.949 176.094 -0.362 0.000 1.001 361 V CA -2.241 59.579 62.300 -0.801 0.000 0.828 361 V CB 1.042 32.317 31.823 -0.914 0.000 1.069 361 V HN -0.275 nan 8.190 nan 0.000 0.451 362 P HA 0.265 nan 4.420 nan 0.000 0.261 362 P C 1.313 178.685 177.300 0.119 0.000 1.183 362 P CA 2.086 65.183 63.100 -0.005 0.000 0.761 362 P CB 0.773 32.485 31.700 0.021 0.000 0.785 363 G N 2.632 111.513 108.800 0.135 0.000 2.267 363 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 363 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 363 G C 0.890 175.919 174.900 0.216 0.000 0.998 363 G CA 0.212 45.413 45.100 0.170 0.000 0.620 363 G HN 0.530 nan 8.290 nan 0.000 0.529 364 L N -0.773 120.571 121.223 0.202 0.000 2.017 364 L HA -0.014 4.327 4.340 0.001 0.000 0.208 364 L C 2.422 179.531 176.870 0.399 0.000 1.073 364 L CA 2.640 57.572 54.840 0.153 0.000 0.745 364 L CB -0.469 41.516 42.059 -0.123 0.000 0.894 364 L HN 0.473 nan 8.230 nan 0.000 0.432 365 Y N 1.174 121.716 120.300 0.403 0.000 2.070 365 Y HA -0.344 4.206 4.550 0.000 0.000 0.280 365 Y C 2.381 178.647 175.900 0.611 0.000 1.148 365 Y CA 2.175 60.644 58.100 0.615 0.000 1.125 365 Y CB -0.247 38.523 38.460 0.518 0.000 0.975 365 Y HN 0.281 nan 8.280 nan 0.000 0.492 366 D N -0.035 120.715 120.400 0.583 0.000 2.133 366 D HA -0.233 4.407 4.640 0.001 0.000 0.195 366 D C 2.221 178.743 176.300 0.370 0.000 0.997 366 D CA 1.619 55.885 54.000 0.444 0.000 0.840 366 D CB -0.647 40.340 40.800 0.312 0.000 0.947 366 D HN 0.498 nan 8.370 nan 0.000 0.452 367 A N 0.160 123.190 122.820 0.350 0.000 1.930 367 A HA -0.148 4.172 4.320 0.001 0.000 0.217 367 A C 2.044 179.808 177.584 0.300 0.000 1.175 367 A CA 0.719 52.946 52.037 0.317 0.000 0.627 367 A CB -0.932 18.258 19.000 0.316 0.000 0.815 367 A HN 0.198 nan 8.150 nan 0.000 0.443 368 F N 0.052 120.059 119.950 0.094 0.000 2.115 368 F HA -0.248 4.280 4.527 0.001 0.000 0.300 368 F C 1.705 177.162 175.800 -0.572 0.000 1.092 368 F CA 1.828 59.529 58.000 -0.499 0.000 1.245 368 F CB -0.473 38.212 39.000 -0.525 0.000 0.995 368 F HN 0.267 nan 8.300 nan 0.000 0.481 369 F N -1.126 118.778 119.950 -0.077 0.000 2.374 369 F HA 0.232 4.759 4.527 0.000 0.000 0.291 369 F C 2.332 178.089 175.800 -0.073 0.000 1.084 369 F CA 0.803 58.710 58.000 -0.154 0.000 1.413 369 F CB -1.101 37.839 39.000 -0.101 0.000 1.099 369 F HN -0.047 nan 8.300 nan 0.000 0.534 370 A N -1.870 121.053 122.820 0.171 0.000 2.063 370 A HA 0.107 4.427 4.320 0.001 0.000 0.211 370 A C -0.009 177.625 177.584 0.084 0.000 1.177 370 A CA 0.834 52.946 52.037 0.126 0.000 0.759 370 A CB 0.152 19.235 19.000 0.138 0.000 0.857 370 A HN 0.192 nan 8.150 nan 0.000 0.468 371 D N -1.229 119.223 120.400 0.086 0.000 2.333 371 D HA 0.150 4.790 4.640 0.001 0.000 0.225 371 D C 0.147 176.510 176.300 0.105 0.000 1.345 371 D CA -0.257 53.791 54.000 0.081 0.000 0.971 371 D CB 0.795 41.647 40.800 0.086 0.000 1.451 371 D HN -0.053 nan 8.370 nan 0.000 0.561 372 Q N 1.444 121.289 119.800 0.074 0.000 2.119 372 Q HA -0.084 4.256 4.340 0.001 0.000 0.201 372 Q C 1.217 177.302 176.000 0.142 0.000 0.972 372 Q CA 1.121 56.984 55.803 0.100 0.000 0.847 372 Q CB 0.292 29.056 28.738 0.045 0.000 0.903 372 Q HN 0.542 nan 8.270 nan 0.000 0.433 373 E N 0.942 121.194 120.200 0.088 0.000 2.051 373 E HA -0.190 4.160 4.350 0.001 0.000 0.192 373 E C 1.920 178.555 176.600 0.059 0.000 0.991 373 E CA 1.183 57.622 56.400 0.064 0.000 0.799 373 E CB -0.185 29.537 29.700 0.036 0.000 0.748 373 E HN 0.374 nan 8.360 nan 0.000 0.449 374 E N 0.396 120.637 120.200 0.068 0.000 2.077 374 E HA -0.168 4.182 4.350 0.001 0.000 0.193 374 E C 1.876 178.509 176.600 0.054 0.000 0.989 374 E CA 0.806 57.235 56.400 0.047 0.000 0.800 374 E CB -0.510 29.227 29.700 0.062 0.000 0.746 374 E HN 0.237 nan 8.360 nan 0.000 0.452 375 F N 1.274 121.226 119.950 0.003 0.000 2.126 375 F HA -0.165 4.362 4.527 0.001 0.000 0.299 375 F C 2.205 178.001 175.800 -0.006 0.000 1.096 375 F CA 2.171 60.173 58.000 0.004 0.000 1.255 375 F CB -0.207 38.809 39.000 0.027 0.000 0.997 375 F HN 0.134 nan 8.300 nan 0.000 0.479 376 E N -0.120 120.107 120.200 0.044 0.000 2.106 376 E HA -0.220 4.130 4.350 0.001 0.000 0.192 376 E C 2.494 179.032 176.600 -0.103 0.000 0.984 376 E CA 0.855 57.248 56.400 -0.013 0.000 0.806 376 E CB -0.184 29.561 29.700 0.076 0.000 0.750 376 E HN 0.374 nan 8.360 nan 0.000 0.458 377 R N 0.269 120.701 120.500 -0.112 0.000 2.070 377 R HA -0.141 4.200 4.340 0.001 0.000 0.232 377 R C 2.456 178.579 176.300 -0.296 0.000 1.138 377 R CA 1.482 57.488 56.100 -0.156 0.000 0.936 377 R CB -0.318 29.910 30.300 -0.119 0.000 0.839 377 R HN 0.213 nan 8.270 nan 0.000 0.429 378 L N -0.479 120.519 121.223 -0.374 0.000 2.083 378 L HA -0.220 4.121 4.340 0.001 0.000 0.209 378 L C 2.432 178.855 176.870 -0.745 0.000 1.083 378 L CA 1.315 55.758 54.840 -0.662 0.000 0.752 378 L CB -0.602 41.189 42.059 -0.447 0.000 0.899 378 L HN 0.292 nan 8.230 nan 0.000 0.433 379 Y N 1.172 121.049 120.300 -0.706 0.000 2.145 379 Y HA -0.287 4.263 4.550 0.000 0.000 0.286 379 Y C 2.967 178.687 175.900 -0.299 0.000 1.145 379 Y CA 2.140 59.877 58.100 -0.605 0.000 1.148 379 Y CB -0.420 37.553 38.460 -0.812 0.000 0.981 379 Y HN 0.290 nan 8.280 nan 0.000 0.507 380 T N -1.977 112.470 114.554 -0.178 0.000 2.857 380 T HA -0.121 4.229 4.350 0.001 0.000 0.266 380 T C 2.002 176.588 174.700 -0.190 0.000 1.048 380 T CA 1.088 63.108 62.100 -0.134 0.000 1.139 380 T CB -0.284 68.552 68.868 -0.053 0.000 0.874 380 T HN 0.089 nan 8.240 nan 0.000 0.455 381 K N 0.525 120.745 120.400 -0.299 0.000 2.020 381 K HA -0.128 4.193 4.320 0.001 0.000 0.212 381 K C 2.032 178.481 176.600 -0.251 0.000 1.050 381 K CA 1.591 57.679 56.287 -0.332 0.000 0.929 381 K CB -0.527 31.654 32.500 -0.532 0.000 0.714 381 K HN 0.469 nan 8.250 nan 0.000 0.443 382 Y N 1.332 121.477 120.300 -0.259 0.000 2.373 382 Y HA -0.041 4.510 4.550 0.001 0.000 0.293 382 Y C 2.157 178.025 175.900 -0.055 0.000 1.129 382 Y CA 0.655 58.590 58.100 -0.275 0.000 1.226 382 Y CB -0.305 37.740 38.460 -0.691 0.000 1.000 382 Y HN 0.257 nan 8.280 nan 0.000 0.549 383 E N -0.228 120.010 120.200 0.063 0.000 2.106 383 E HA -0.172 4.178 4.350 0.001 0.000 0.192 383 E C 1.856 178.461 176.600 0.008 0.000 0.984 383 E CA 0.797 57.216 56.400 0.032 0.000 0.806 383 E CB 0.055 29.691 29.700 -0.108 0.000 0.750 383 E HN 0.142 nan 8.360 nan 0.000 0.458 384 K N 1.426 121.818 120.400 -0.013 0.000 1.975 384 K HA -0.112 4.209 4.320 0.001 0.000 0.224 384 K C 0.402 177.011 176.600 0.015 0.000 1.038 384 K CA 0.765 57.045 56.287 -0.011 0.000 1.009 384 K CB -0.740 31.742 32.500 -0.031 0.000 0.750 384 K HN -0.036 nan 8.250 nan 0.000 0.445 385 D N 1.365 121.782 120.400 0.029 0.000 3.434 385 D HA -0.138 4.502 4.640 0.001 0.000 0.215 385 D C -0.464 175.861 176.300 0.042 0.000 1.157 385 D CA 0.429 54.455 54.000 0.043 0.000 0.785 385 D CB 0.075 40.925 40.800 0.083 0.000 1.164 385 D HN 0.177 nan 8.370 nan 0.000 0.580 386 D N 0.867 121.279 120.400 0.020 0.000 2.349 386 D HA -0.062 4.578 4.640 0.001 0.000 0.214 386 D C 1.769 178.074 176.300 0.008 0.000 1.063 386 D CA 0.363 54.370 54.000 0.012 0.000 0.847 386 D CB 0.004 40.805 40.800 0.002 0.000 0.933 386 D HN 0.343 nan 8.370 nan 0.000 0.513 387 S N 0.008 115.713 115.700 0.009 0.000 2.453 387 S HA -0.006 4.465 4.470 0.001 0.000 0.231 387 S C 0.882 175.479 174.600 -0.005 0.000 1.005 387 S CA -0.080 58.120 58.200 -0.001 0.000 0.949 387 S CB -0.341 62.857 63.200 -0.004 0.000 0.774 387 S HN 0.151 nan 8.310 nan 0.000 0.510 388 I N 2.438 123.011 120.570 0.006 0.000 2.395 388 I HA 0.273 4.443 4.170 0.001 0.000 0.289 388 I C 0.658 176.799 176.117 0.039 0.000 1.023 388 I CA -0.641 60.661 61.300 0.004 0.000 1.350 388 I CB 0.864 38.856 38.000 -0.013 0.000 1.409 388 I HN 0.135 nan 8.210 nan 0.000 0.507 389 R N 7.559 128.073 120.500 0.022 0.000 2.449 389 R HA 0.195 4.536 4.340 0.001 0.000 0.296 389 R C -0.600 175.717 176.300 0.028 0.000 1.047 389 R CA 0.191 56.298 56.100 0.012 0.000 1.018 389 R CB 0.381 30.677 30.300 -0.007 0.000 0.962 389 R HN 0.734 nan 8.270 nan 0.000 0.428 390 K N 2.111 122.477 120.400 -0.057 0.000 2.533 390 K HA 0.390 4.711 4.320 0.001 0.000 0.284 390 K C -1.445 175.041 176.600 -0.190 0.000 1.025 390 K CA -1.172 54.984 56.287 -0.218 0.000 0.900 390 K CB 1.727 34.032 32.500 -0.325 0.000 1.519 390 K HN 0.338 nan 8.250 nan 0.000 0.432 391 Q N 0.737 120.385 119.800 -0.254 0.000 2.353 391 Q HA 0.331 4.671 4.340 0.001 0.000 0.275 391 Q C -1.510 174.394 176.000 -0.159 0.000 1.029 391 Q CA -0.700 55.010 55.803 -0.155 0.000 0.848 391 Q CB 2.422 31.097 28.738 -0.104 0.000 1.390 391 Q HN 0.658 nan 8.270 nan 0.000 0.401 392 R N 1.036 121.476 120.500 -0.099 0.000 2.445 392 R HA 0.647 4.988 4.340 0.001 0.000 0.308 392 R C -0.226 176.057 176.300 -0.028 0.000 0.961 392 R CA -0.547 55.512 56.100 -0.068 0.000 0.862 392 R CB 1.516 31.784 30.300 -0.053 0.000 1.144 392 R HN 0.471 nan 8.270 nan 0.000 0.447 393 V N -0.878 119.036 119.914 -0.000 0.000 2.876 393 V HA 0.523 4.643 4.120 0.001 0.000 0.312 393 V C -0.177 175.947 176.094 0.049 0.000 1.085 393 V CA -1.414 60.899 62.300 0.022 0.000 0.945 393 V CB 2.213 34.052 31.823 0.027 0.000 1.017 393 V HN 0.521 nan 8.190 nan 0.000 0.428 394 K N 2.104 122.534 120.400 0.051 0.000 2.416 394 K HA 0.510 4.830 4.320 0.001 0.000 0.283 394 K C 1.353 178.019 176.600 0.110 0.000 1.037 394 K CA 0.543 56.870 56.287 0.068 0.000 0.995 394 K CB 1.358 33.889 32.500 0.053 0.000 0.938 394 K HN 0.934 nan 8.250 nan 0.000 0.475 395 A N 3.539 126.444 122.820 0.143 0.000 1.908 395 A HA -0.169 4.151 4.320 0.001 0.000 0.218 395 A C 1.938 179.696 177.584 0.289 0.000 1.181 395 A CA 1.827 54.017 52.037 0.254 0.000 0.627 395 A CB -0.554 18.585 19.000 0.231 0.000 0.818 395 A HN 0.547 nan 8.150 nan 0.000 0.445 396 V N -0.140 119.863 119.914 0.148 0.000 2.332 396 V HA -0.292 3.828 4.120 0.001 0.000 0.248 396 V C 2.308 178.484 176.094 0.137 0.000 1.055 396 V CA 2.279 64.649 62.300 0.116 0.000 1.038 396 V CB -1.073 30.783 31.823 0.056 0.000 0.651 396 V HN 0.621 nan 8.190 nan 0.000 0.450 397 E N -0.009 120.255 120.200 0.108 0.000 2.047 397 E HA -0.206 4.144 4.350 0.001 0.000 0.191 397 E C 2.160 178.814 176.600 0.090 0.000 0.987 397 E CA 1.343 57.791 56.400 0.081 0.000 0.799 397 E CB -0.248 29.483 29.700 0.053 0.000 0.752 397 E HN 0.419 nan 8.360 nan 0.000 0.449 398 L N 0.321 121.608 121.223 0.106 0.000 1.994 398 L HA -0.162 4.179 4.340 0.001 0.000 0.208 398 L C 2.021 178.910 176.870 0.032 0.000 1.071 398 L CA 1.684 56.554 54.840 0.051 0.000 0.745 398 L CB -0.583 41.490 42.059 0.023 0.000 0.892 398 L HN 0.052 nan 8.230 nan 0.000 0.431 399 F N -0.573 119.393 119.950 0.027 0.000 2.161 399 F HA -0.226 4.301 4.527 0.000 0.000 0.300 399 F C 2.597 178.415 175.800 0.029 0.000 1.089 399 F CA 1.724 59.742 58.000 0.031 0.000 1.282 399 F CB -0.608 38.414 39.000 0.038 0.000 1.010 399 F HN 0.066 nan 8.300 nan 0.000 0.485 400 S N 0.071 115.892 115.700 0.201 0.000 2.368 400 S HA -0.163 4.308 4.470 0.001 0.000 0.224 400 S C 1.927 176.564 174.600 0.061 0.000 1.029 400 S CA 0.965 59.231 58.200 0.109 0.000 0.988 400 S CB -0.553 62.693 63.200 0.077 0.000 0.838 400 S HN 0.238 nan 8.310 nan 0.000 0.462 401 L N 1.866 123.117 121.223 0.046 0.000 2.017 401 L HA -0.007 4.333 4.340 0.001 0.000 0.208 401 L C 2.228 179.103 176.870 0.009 0.000 1.073 401 L CA 1.824 56.673 54.840 0.016 0.000 0.745 401 L CB -0.666 41.396 42.059 0.004 0.000 0.894 401 L HN 0.350 nan 8.230 nan 0.000 0.432 402 M N -1.824 117.780 119.600 0.007 0.000 2.086 402 M HA -0.236 4.244 4.480 0.001 0.000 0.261 402 M C 2.004 178.323 176.300 0.032 0.000 1.067 402 M CA 1.828 57.130 55.300 0.002 0.000 1.116 402 M CB -0.041 32.531 32.600 -0.046 0.000 1.348 402 M HN 0.270 nan 8.290 nan 0.000 0.407 403 M N 0.268 119.906 119.600 0.064 0.000 2.229 403 M HA -0.179 4.301 4.480 0.001 0.000 0.264 403 M C 2.189 178.501 176.300 0.020 0.000 1.063 403 M CA 1.601 56.941 55.300 0.067 0.000 1.114 403 M CB -1.535 31.122 32.600 0.096 0.000 1.387 403 M HN 0.551 nan 8.290 nan 0.000 0.420 404 Q N 0.037 119.843 119.800 0.010 0.000 2.137 404 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 404 Q C 1.439 177.432 176.000 -0.011 0.000 0.960 404 Q CA 1.051 56.847 55.803 -0.011 0.000 0.847 404 Q CB 0.026 28.757 28.738 -0.011 0.000 0.915 404 Q HN 0.341 nan 8.270 nan 0.000 0.448 405 E N 1.270 121.466 120.200 -0.006 0.000 2.072 405 E HA -0.176 4.175 4.350 0.001 0.000 0.191 405 E C 2.036 178.630 176.600 -0.011 0.000 0.985 405 E CA 1.034 57.427 56.400 -0.012 0.000 0.801 405 E CB -0.299 29.391 29.700 -0.016 0.000 0.750 405 E HN 0.423 nan 8.360 nan 0.000 0.452 406 R N 0.869 121.370 120.500 0.002 0.000 2.094 406 R HA -0.175 4.165 4.340 0.001 0.000 0.239 406 R C 2.214 178.527 176.300 0.021 0.000 1.137 406 R CA 1.872 57.980 56.100 0.012 0.000 0.943 406 R CB -0.273 30.062 30.300 0.058 0.000 0.850 406 R HN 0.133 nan 8.270 nan 0.000 0.433 407 A N 0.301 123.129 122.820 0.013 0.000 1.902 407 A HA -0.175 4.146 4.320 0.001 0.000 0.217 407 A C 2.232 179.819 177.584 0.004 0.000 1.181 407 A CA 1.955 53.995 52.037 0.005 0.000 0.623 407 A CB -0.759 18.211 19.000 -0.050 0.000 0.818 407 A HN 0.636 nan 8.150 nan 0.000 0.443 408 S N -0.657 115.039 115.700 -0.008 0.000 2.428 408 S HA -0.117 4.354 4.470 0.001 0.000 0.230 408 S C 1.806 176.404 174.600 -0.002 0.000 1.014 408 S CA 1.990 60.185 58.200 -0.008 0.000 0.957 408 S CB -0.712 62.480 63.200 -0.014 0.000 0.784 408 S HN 0.807 nan 8.310 nan 0.000 0.499 409 T N -3.953 110.597 114.554 -0.006 0.000 2.990 409 T HA 0.474 4.824 4.350 0.001 0.000 0.249 409 T C 1.711 176.407 174.700 -0.007 0.000 1.039 409 T CA 0.935 63.029 62.100 -0.010 0.000 1.036 409 T CB -0.261 68.593 68.868 -0.024 0.000 0.994 409 T HN 1.219 nan 8.240 nan 0.000 0.489 410 G N 2.060 110.862 108.800 0.004 0.000 2.189 410 G HA2 -0.306 3.654 3.960 0.001 0.000 0.267 410 G HA3 -0.306 3.654 3.960 0.001 0.000 0.267 410 G C 0.736 175.625 174.900 -0.018 0.000 0.975 410 G CA 0.446 45.560 45.100 0.024 0.000 0.644 410 G HN 0.625 nan 8.290 nan 0.000 0.537 411 R N -0.700 119.717 120.500 -0.137 0.000 2.616 411 R HA 0.338 4.678 4.340 0.001 0.000 0.427 411 R C 0.006 175.876 176.300 -0.716 0.000 1.030 411 R CA -0.474 55.376 56.100 -0.417 0.000 1.133 411 R CB 0.684 30.864 30.300 -0.201 0.000 1.444 411 R HN 0.297 nan 8.270 nan 0.000 0.578 412 I N 1.913 122.229 120.570 -0.422 0.000 2.312 412 I HA 0.272 4.442 4.170 0.001 0.000 0.290 412 I C -0.257 175.739 176.117 -0.202 0.000 1.008 412 I CA -0.841 60.278 61.300 -0.301 0.000 1.226 412 I CB 0.247 38.200 38.000 -0.077 0.000 1.371 412 I HN -0.001 nan 8.210 nan 0.000 0.468 413 Y N 6.308 126.646 120.300 0.062 0.000 2.596 413 Y HA 0.646 5.197 4.550 0.002 0.000 0.326 413 Y C 0.113 176.076 175.900 0.105 0.000 1.167 413 Y CA -1.475 56.688 58.100 0.106 0.000 1.246 413 Y CB 1.061 39.608 38.460 0.145 0.000 1.347 413 Y HN 0.288 nan 8.280 nan 0.000 0.515 414 I N 0.705 121.491 120.570 0.360 0.000 2.582 414 I HA 0.327 4.498 4.170 0.001 0.000 0.292 414 I C -0.897 175.397 176.117 0.294 0.000 1.066 414 I CA -0.610 60.855 61.300 0.276 0.000 1.053 414 I CB 2.132 40.301 38.000 0.282 0.000 1.241 414 I HN 0.519 nan 8.210 nan 0.000 0.421 415 Q N 5.359 125.317 119.800 0.263 0.000 2.309 415 Q HA 0.437 4.777 4.340 0.001 0.000 0.270 415 Q C -1.346 174.756 176.000 0.171 0.000 1.023 415 Q CA -0.748 55.194 55.803 0.231 0.000 0.758 415 Q CB 1.226 30.109 28.738 0.241 0.000 1.247 415 Q HN 0.508 nan 8.270 nan 0.000 0.455 416 N N 4.314 123.125 118.700 0.185 0.000 2.508 416 N HA 0.027 4.768 4.740 0.001 0.000 0.253 416 N C 1.079 176.596 175.510 0.011 0.000 1.145 416 N CA 0.115 53.248 53.050 0.138 0.000 0.973 416 N CB 1.414 40.034 38.487 0.222 0.000 1.305 416 N HN 0.591 nan 8.380 nan 0.000 0.506 417 V N -0.299 119.532 119.914 -0.139 0.000 2.626 417 V HA -0.202 3.918 4.120 0.001 0.000 0.252 417 V C 1.486 177.470 176.094 -0.184 0.000 1.067 417 V CA 1.483 63.669 62.300 -0.191 0.000 1.081 417 V CB -0.370 31.140 31.823 -0.521 0.000 0.686 417 V HN 0.363 nan 8.190 nan 0.000 0.468 418 D N 0.026 120.283 120.400 -0.239 0.000 2.084 418 D HA -0.234 4.407 4.640 0.001 0.000 0.196 418 D C 1.975 178.298 176.300 0.039 0.000 0.985 418 D CA 2.044 55.969 54.000 -0.125 0.000 0.826 418 D CB -0.958 39.771 40.800 -0.119 0.000 0.978 418 D HN 0.506 nan 8.370 nan 0.000 0.456 419 H N 0.033 119.102 119.070 -0.001 0.000 2.387 419 H HA -0.021 4.535 4.556 0.001 0.000 0.299 419 H C 2.233 177.583 175.328 0.037 0.000 1.099 419 H CA 0.725 56.768 56.048 -0.008 0.000 1.315 419 H CB -0.910 28.826 29.762 -0.043 0.000 1.380 419 H HN 0.296 nan 8.280 nan 0.000 0.513 420 C N 0.607 120.000 119.300 0.155 0.000 2.437 420 C HA -0.008 4.452 4.460 0.001 0.000 0.283 420 C C 2.099 177.144 174.990 0.093 0.000 1.424 420 C CA 0.532 59.613 59.018 0.106 0.000 1.782 420 C CB -0.473 27.316 27.740 0.081 0.000 1.833 420 C HN 0.597 nan 8.230 nan 0.000 0.532 421 N N -0.430 118.324 118.700 0.089 0.000 2.382 421 N HA -0.037 4.703 4.740 0.001 0.000 0.200 421 N C 1.794 177.344 175.510 0.067 0.000 1.122 421 N CA 1.275 54.373 53.050 0.079 0.000 0.870 421 N CB -0.216 38.317 38.487 0.078 0.000 1.176 421 N HN 0.629 nan 8.380 nan 0.000 0.474 422 T N -1.997 112.605 114.554 0.080 0.000 3.023 422 T HA -0.060 4.291 4.350 0.001 0.000 0.266 422 T C 0.583 175.339 174.700 0.094 0.000 1.093 422 T CA 1.017 63.157 62.100 0.067 0.000 1.129 422 T CB -0.165 68.742 68.868 0.064 0.000 0.899 422 T HN 0.098 nan 8.240 nan 0.000 0.491 423 H N 0.616 119.673 119.070 -0.022 0.000 2.541 423 H HA 0.674 5.230 4.556 0.001 0.000 0.246 423 H C -1.124 174.180 175.328 -0.039 0.000 1.341 423 H CA -0.764 55.250 56.048 -0.057 0.000 1.469 423 H CB 0.456 30.168 29.762 -0.083 0.000 1.472 423 H HN 0.253 nan 8.280 nan 0.000 0.503 424 S N 3.563 119.134 115.700 -0.215 0.000 2.543 424 S HA 0.321 4.791 4.470 0.001 0.000 0.274 424 S C -2.599 171.844 174.600 -0.261 0.000 1.149 424 S CA -1.179 56.921 58.200 -0.167 0.000 0.866 424 S CB 1.411 64.621 63.200 0.015 0.000 1.111 424 S HN 0.323 nan 8.310 nan 0.000 0.457 425 P HA 0.285 nan 4.420 nan 0.000 0.245 425 P C -0.676 176.223 177.300 -0.667 0.000 1.212 425 P CA 0.386 63.142 63.100 -0.573 0.000 0.774 425 P CB -0.241 31.161 31.700 -0.498 0.000 0.999 426 F N -0.116 119.799 119.950 -0.059 0.000 2.508 426 F HA 0.330 4.857 4.527 0.001 0.000 0.325 426 F C 0.720 176.491 175.800 -0.048 0.000 1.090 426 F CA -1.549 56.430 58.000 -0.035 0.000 0.945 426 F CB 0.808 39.804 39.000 -0.008 0.000 1.156 426 F HN -0.333 nan 8.300 nan 0.000 0.463 427 D N 4.705 125.195 120.400 0.149 0.000 2.338 427 D HA 0.152 4.792 4.640 0.001 0.000 0.255 427 D C -1.658 174.693 176.300 0.084 0.000 1.237 427 D CA -2.264 51.778 54.000 0.070 0.000 0.883 427 D CB 1.299 42.118 40.800 0.032 0.000 1.087 427 D HN 0.130 nan 8.370 nan 0.000 0.485 428 P HA -0.070 nan 4.420 nan 0.000 0.228 428 P C 0.683 178.016 177.300 0.056 0.000 1.151 428 P CA 0.564 63.705 63.100 0.069 0.000 0.770 428 P CB 0.222 31.964 31.700 0.070 0.000 0.786 429 A N -1.096 121.750 122.820 0.043 0.000 2.132 429 A HA 0.110 4.430 4.320 0.001 0.000 0.213 429 A C 2.010 179.604 177.584 0.017 0.000 1.154 429 A CA 0.551 52.609 52.037 0.035 0.000 0.753 429 A CB -0.781 18.236 19.000 0.028 0.000 0.826 429 A HN 0.166 nan 8.150 nan 0.000 0.469 430 I N -2.322 118.253 120.570 0.009 0.000 3.565 430 I HA 0.260 4.431 4.170 0.001 0.000 0.287 430 I C 1.125 177.217 176.117 -0.041 0.000 1.193 430 I CA 0.774 62.061 61.300 -0.021 0.000 1.402 430 I CB 0.427 38.414 38.000 -0.022 0.000 1.284 430 I HN 0.158 nan 8.210 nan 0.000 0.454 431 A N 2.894 125.702 122.820 -0.019 0.000 3.266 431 A HA 0.478 4.798 4.320 0.001 0.000 0.310 431 A C -2.673 174.857 177.584 -0.091 0.000 1.066 431 A CA -1.074 50.913 52.037 -0.084 0.000 0.839 431 A CB -0.353 18.593 19.000 -0.089 0.000 1.192 431 A HN -0.071 nan 8.150 nan 0.000 0.496 432 P HA 0.190 nan 4.420 nan 0.000 0.271 432 P C -0.093 177.120 177.300 -0.146 0.000 1.218 432 P CA 0.192 63.262 63.100 -0.051 0.000 0.780 432 P CB 1.403 33.091 31.700 -0.021 0.000 0.901 433 V N 5.401 125.259 119.914 -0.093 0.000 2.389 433 V HA 0.189 4.309 4.120 0.001 0.000 0.264 433 V C 1.563 177.533 176.094 -0.207 0.000 1.049 433 V CA 0.107 62.322 62.300 -0.140 0.000 0.932 433 V CB 0.070 31.872 31.823 -0.035 0.000 1.011 433 V HN 0.538 nan 8.190 nan 0.000 0.475 434 R N 4.347 124.607 120.500 -0.401 0.000 2.596 434 R HA 0.297 4.637 4.340 0.001 0.000 0.369 434 R C 0.099 176.127 176.300 -0.455 0.000 1.042 434 R CA -0.172 55.439 56.100 -0.814 0.000 1.120 434 R CB 0.727 30.250 30.300 -1.295 0.000 1.353 434 R HN 0.910 nan 8.270 nan 0.000 0.564 435 Q N -2.018 117.552 119.800 -0.383 0.000 2.907 435 Q HA 0.442 4.782 4.340 0.001 0.000 0.310 435 Q C -1.346 174.227 176.000 -0.713 0.000 0.861 435 Q CA -0.816 54.591 55.803 -0.660 0.000 0.769 435 Q CB 1.253 29.655 28.738 -0.561 0.000 1.465 435 Q HN -0.070 nan 8.270 nan 0.000 0.449 436 S N -0.643 114.317 115.700 -1.234 0.000 2.998 436 S HA 0.613 5.083 4.470 0.001 0.000 0.323 436 S C -1.277 173.174 174.600 -0.248 0.000 1.141 436 S CA -0.118 57.747 58.200 -0.559 0.000 0.873 436 S CB 1.068 64.104 63.200 -0.274 0.000 1.315 436 S HN 0.827 nan 8.310 nan 0.000 0.637 437 N N 0.434 119.150 118.700 0.027 0.000 2.938 437 N HA 0.246 4.987 4.740 0.001 0.000 0.335 437 N C 0.981 176.598 175.510 0.179 0.000 1.358 437 N CA -0.587 52.516 53.050 0.090 0.000 0.812 437 N CB -0.618 37.862 38.487 -0.013 0.000 1.233 437 N HN 0.455 nan 8.380 nan 0.000 0.593 438 L N 0.352 121.618 121.223 0.071 0.000 1.990 438 L HA -0.091 4.249 4.340 0.001 0.000 0.213 438 L C 1.666 178.510 176.870 -0.043 0.000 1.072 438 L CA 1.925 56.797 54.840 0.054 0.000 0.755 438 L CB -0.603 41.476 42.059 0.034 0.000 0.889 438 L HN 0.737 nan 8.230 nan 0.000 0.432 439 C N -0.674 118.486 119.300 -0.232 0.000 2.974 439 C HA 0.376 4.836 4.460 0.001 0.000 0.282 439 C C 1.014 175.507 174.990 -0.829 0.000 1.292 439 C CA -0.822 57.735 59.018 -0.768 0.000 1.710 439 C CB -0.614 26.776 27.740 -0.583 0.000 2.036 439 C HN 0.558 nan 8.230 nan 0.000 0.629 440 L N 1.814 122.842 121.223 -0.325 0.000 4.140 440 L HA -0.162 4.179 4.340 0.001 0.000 0.406 440 L C 1.622 178.421 176.870 -0.118 0.000 1.175 440 L CA 1.517 56.271 54.840 -0.143 0.000 0.939 440 L CB -1.911 40.066 42.059 -0.137 0.000 2.105 440 L HN 0.658 nan 8.230 nan 0.000 0.803 441 E N -0.765 119.357 120.200 -0.130 0.000 2.465 441 E HA 0.104 4.454 4.350 0.001 0.000 0.209 441 E C 0.772 177.351 176.600 -0.035 0.000 0.951 441 E CA -0.100 56.258 56.400 -0.070 0.000 0.997 441 E CB 0.653 30.307 29.700 -0.077 0.000 1.025 441 E HN 0.408 nan 8.360 nan 0.000 0.500 442 I N 2.506 123.049 120.570 -0.045 0.000 2.342 442 I HA 0.394 4.564 4.170 0.001 0.000 0.291 442 I C -0.170 175.923 176.117 -0.040 0.000 1.010 442 I CA -0.695 60.587 61.300 -0.030 0.000 1.308 442 I CB 0.950 38.926 38.000 -0.040 0.000 1.400 442 I HN 0.077 nan 8.210 nan 0.000 0.488 443 A N 8.623 131.441 122.820 -0.002 0.000 2.545 443 A HA 0.795 5.115 4.320 0.001 0.000 0.300 443 A C -0.778 176.829 177.584 0.038 0.000 1.252 443 A CA -0.408 51.625 52.037 -0.006 0.000 0.753 443 A CB 0.618 19.636 19.000 0.029 0.000 1.144 443 A HN 0.642 nan 8.150 nan 0.000 0.457 444 L N 2.010 123.192 121.223 -0.068 0.000 2.424 444 L HA 0.531 4.871 4.340 0.001 0.000 0.258 444 L C -2.692 174.001 176.870 -0.295 0.000 0.995 444 L CA -2.441 52.305 54.840 -0.157 0.000 0.821 444 L CB 2.832 44.845 42.059 -0.077 0.000 1.383 444 L HN 0.325 nan 8.230 nan 0.000 0.410 445 P HA 0.169 nan 4.420 nan 0.000 0.268 445 P C -0.807 176.368 177.300 -0.208 0.000 1.205 445 P CA -0.105 62.769 63.100 -0.377 0.000 0.771 445 P CB 0.772 32.184 31.700 -0.480 0.000 0.858 446 T N -0.437 114.018 114.554 -0.165 0.000 2.901 446 T HA 0.734 5.085 4.350 0.001 0.000 0.293 446 T C -0.830 173.826 174.700 -0.074 0.000 1.084 446 T CA -1.009 61.030 62.100 -0.102 0.000 1.008 446 T CB 1.830 70.634 68.868 -0.108 0.000 1.170 446 T HN 0.164 nan 8.240 nan 0.000 0.509 447 K N 1.297 121.675 120.400 -0.037 0.000 2.464 447 K HA 0.590 4.911 4.320 0.001 0.000 0.253 447 K C -3.007 173.586 176.600 -0.010 0.000 0.933 447 K CA -2.220 54.052 56.287 -0.024 0.000 0.801 447 K CB 2.366 34.856 32.500 -0.015 0.000 1.271 447 K HN 0.365 nan 8.250 nan 0.000 0.430 448 P HA 0.034 nan 4.420 nan 0.000 0.268 448 P C -0.995 176.313 177.300 0.015 0.000 1.208 448 P CA -0.348 62.754 63.100 0.003 0.000 0.777 448 P CB 0.455 32.157 31.700 0.003 0.000 0.875 449 L N 2.809 124.047 121.223 0.024 0.000 2.344 449 L HA 0.346 4.686 4.340 0.001 0.000 0.272 449 L C 1.369 178.262 176.870 0.038 0.000 1.035 449 L CA 0.428 55.288 54.840 0.033 0.000 0.807 449 L CB 0.449 42.533 42.059 0.042 0.000 1.237 449 L HN 0.312 nan 8.230 nan 0.000 0.442 450 N N 1.171 119.894 118.700 0.037 0.000 2.214 450 N HA 0.127 4.868 4.740 0.001 0.000 0.214 450 N C -1.018 174.518 175.510 0.043 0.000 1.132 450 N CA 0.176 53.250 53.050 0.040 0.000 0.856 450 N CB 0.652 39.158 38.487 0.032 0.000 1.020 450 N HN 0.746 nan 8.380 nan 0.000 0.509 451 D N -1.944 118.483 120.400 0.046 0.000 2.855 451 D HA -0.086 4.554 4.640 0.001 0.000 0.247 451 D C 1.118 177.445 176.300 0.045 0.000 1.066 451 D CA -0.486 53.541 54.000 0.045 0.000 0.758 451 D CB 0.516 41.339 40.800 0.037 0.000 2.338 451 D HN -0.202 nan 8.370 nan 0.000 0.460 452 V N 1.510 121.451 119.914 0.046 0.000 2.370 452 V HA -0.156 3.965 4.120 0.001 0.000 0.252 452 V C 1.333 177.450 176.094 0.038 0.000 1.068 452 V CA 1.767 64.093 62.300 0.043 0.000 1.061 452 V CB -0.640 31.203 31.823 0.034 0.000 0.656 452 V HN 0.636 nan 8.190 nan 0.000 0.455 453 N N -0.086 118.634 118.700 0.032 0.000 2.230 453 N HA 0.082 4.822 4.740 0.001 0.000 0.202 453 N C 0.345 175.873 175.510 0.031 0.000 1.119 453 N CA 0.095 53.162 53.050 0.028 0.000 0.851 453 N CB -0.171 38.328 38.487 0.021 0.000 0.990 453 N HN 0.570 nan 8.380 nan 0.000 0.497 454 D N 2.039 122.459 120.400 0.034 0.000 2.479 454 D HA -0.084 4.557 4.640 0.001 0.000 0.257 454 D C 1.058 177.380 176.300 0.037 0.000 1.230 454 D CA 0.423 54.443 54.000 0.033 0.000 0.912 454 D CB 0.702 41.523 40.800 0.034 0.000 1.130 454 D HN 0.036 nan 8.370 nan 0.000 0.515 455 E N 3.046 123.267 120.200 0.035 0.000 2.338 455 E HA -0.137 4.213 4.350 0.001 0.000 0.197 455 E C 0.719 177.351 176.600 0.053 0.000 1.007 455 E CA 0.641 57.066 56.400 0.042 0.000 0.849 455 E CB -0.083 29.640 29.700 0.038 0.000 0.774 455 E HN 0.644 nan 8.360 nan 0.000 0.506 456 N N 0.150 118.875 118.700 0.041 0.000 2.336 456 N HA 0.060 4.800 4.740 0.001 0.000 0.189 456 N C 0.743 176.275 175.510 0.036 0.000 1.113 456 N CA -0.128 52.944 53.050 0.036 0.000 0.858 456 N CB 0.657 39.154 38.487 0.017 0.000 0.970 456 N HN -0.028 nan 8.380 nan 0.000 0.471 457 G N 0.524 109.350 108.800 0.044 0.000 2.537 457 G HA2 0.221 4.182 3.960 0.001 0.000 0.273 457 G HA3 0.221 4.182 3.960 0.001 0.000 0.273 457 G C -0.761 174.176 174.900 0.062 0.000 1.189 457 G CA -0.219 44.906 45.100 0.041 0.000 0.881 457 G HN 0.107 nan 8.290 nan 0.000 0.535 458 E N 0.009 120.239 120.200 0.049 0.000 2.260 458 E HA 0.405 4.755 4.350 0.001 0.000 0.266 458 E C -1.033 175.582 176.600 0.025 0.000 0.887 458 E CA -0.550 55.889 56.400 0.064 0.000 0.777 458 E CB 1.523 31.282 29.700 0.100 0.000 1.205 458 E HN 0.326 nan 8.360 nan 0.000 0.414 459 I N 3.087 123.674 120.570 0.028 0.000 2.377 459 I HA 0.438 4.609 4.170 0.001 0.000 0.293 459 I C 0.026 176.133 176.117 -0.017 0.000 0.987 459 I CA -0.632 60.670 61.300 0.003 0.000 1.185 459 I CB 1.757 39.782 38.000 0.042 0.000 1.341 459 I HN 0.547 nan 8.210 nan 0.000 0.455 460 A N 7.754 130.544 122.820 -0.051 0.000 2.331 460 A HA 0.772 5.093 4.320 0.001 0.000 0.283 460 A C -0.630 176.912 177.584 -0.071 0.000 1.142 460 A CA -0.311 51.694 52.037 -0.054 0.000 0.812 460 A CB 0.408 19.365 19.000 -0.072 0.000 1.074 460 A HN 0.669 nan 8.150 nan 0.000 0.497 461 L N 1.288 122.490 121.223 -0.036 0.000 2.333 461 L HA 0.584 4.925 4.340 0.001 0.000 0.269 461 L C -0.285 176.579 176.870 -0.010 0.000 1.010 461 L CA -0.650 54.165 54.840 -0.042 0.000 0.818 461 L CB 1.961 44.042 42.059 0.036 0.000 1.306 461 L HN 0.719 nan 8.230 nan 0.000 0.430 462 C N 0.328 119.619 119.300 -0.016 0.000 2.614 462 C HA 0.730 5.190 4.460 0.001 0.000 0.320 462 C C -0.059 174.943 174.990 0.020 0.000 1.200 462 C CA -0.203 58.821 59.018 0.010 0.000 1.700 462 C CB 1.934 29.678 27.740 0.008 0.000 2.275 462 C HN 0.815 nan 8.230 nan 0.000 0.492 463 T N 5.316 119.886 114.554 0.026 0.000 2.788 463 T HA 0.545 4.896 4.350 0.001 0.000 0.296 463 T C -0.624 174.080 174.700 0.006 0.000 1.009 463 T CA -0.177 61.936 62.100 0.023 0.000 0.949 463 T CB 0.361 69.246 68.868 0.029 0.000 0.946 463 T HN 0.452 nan 8.240 nan 0.000 0.453 464 L N 2.060 123.283 121.223 0.001 0.000 2.330 464 L HA 0.857 5.198 4.340 0.001 0.000 0.271 464 L C 0.273 177.127 176.870 -0.026 0.000 1.013 464 L CA -0.722 54.112 54.840 -0.010 0.000 0.816 464 L CB 2.025 44.085 42.059 0.002 0.000 1.287 464 L HN 0.596 nan 8.230 nan 0.000 0.435 465 S N 0.010 115.672 115.700 -0.064 0.000 2.672 465 S HA 0.881 5.351 4.470 0.001 0.000 0.271 465 S C -1.659 172.839 174.600 -0.172 0.000 1.171 465 S CA -0.418 57.722 58.200 -0.100 0.000 0.817 465 S CB 2.164 65.289 63.200 -0.125 0.000 1.150 465 S HN 0.776 nan 8.310 nan 0.000 0.478 466 A N 0.802 123.492 122.820 -0.217 0.000 2.520 466 A HA 0.783 5.104 4.320 0.001 0.000 0.298 466 A C -1.807 175.606 177.584 -0.285 0.000 1.051 466 A CA -0.578 51.317 52.037 -0.237 0.000 0.690 466 A CB 0.548 19.523 19.000 -0.042 0.000 1.281 466 A HN 0.464 nan 8.150 nan 0.000 0.402 467 F N 1.721 121.670 119.950 -0.002 0.000 2.412 467 F HA 0.344 4.872 4.527 0.001 0.000 0.348 467 F C 1.019 176.813 175.800 -0.010 0.000 1.102 467 F CA -0.549 57.433 58.000 -0.030 0.000 1.196 467 F CB 0.915 39.868 39.000 -0.077 0.000 1.144 467 F HN 0.592 nan 8.300 nan 0.000 0.541 468 N N 4.101 122.920 118.700 0.199 0.000 2.602 468 N HA 0.125 4.865 4.740 0.001 0.000 0.238 468 N C 0.677 176.263 175.510 0.128 0.000 1.084 468 N CA 0.086 53.229 53.050 0.155 0.000 0.952 468 N CB 0.283 38.860 38.487 0.151 0.000 1.244 468 N HN 0.716 nan 8.380 nan 0.000 0.512 469 L N 1.696 122.968 121.223 0.082 0.000 2.353 469 L HA -0.026 4.315 4.340 0.001 0.000 0.220 469 L C 2.036 178.989 176.870 0.139 0.000 1.133 469 L CA 1.061 55.863 54.840 -0.063 0.000 0.798 469 L CB -0.105 41.731 42.059 -0.372 0.000 0.922 469 L HN 0.538 nan 8.230 nan 0.000 0.445 470 G N -0.868 108.105 108.800 0.288 0.000 2.623 470 G HA2 0.011 3.972 3.960 0.001 0.000 0.214 470 G HA3 0.011 3.972 3.960 0.001 0.000 0.214 470 G C 1.504 176.601 174.900 0.329 0.000 1.138 470 G CA 0.579 45.956 45.100 0.461 0.000 0.794 470 G HN 0.420 nan 8.290 nan 0.000 0.535 471 A N 0.248 123.192 122.820 0.208 0.000 2.275 471 A HA 0.513 4.833 4.320 0.001 0.000 0.212 471 A C 0.938 178.569 177.584 0.079 0.000 1.201 471 A CA -0.155 51.968 52.037 0.142 0.000 0.843 471 A CB -0.329 18.750 19.000 0.132 0.000 0.873 471 A HN 0.577 nan 8.150 nan 0.000 0.492 472 I N -3.943 116.674 120.570 0.078 0.000 2.354 472 I HA 0.417 4.588 4.170 0.001 0.000 0.292 472 I C 0.227 176.378 176.117 0.056 0.000 0.989 472 I CA -0.892 60.425 61.300 0.029 0.000 1.188 472 I CB 1.191 39.178 38.000 -0.021 0.000 1.342 472 I HN -0.123 nan 8.210 nan 0.000 0.457 473 N N 4.597 123.309 118.700 0.020 0.000 2.216 473 N HA -0.098 4.642 4.740 0.001 0.000 0.183 473 N C -0.017 175.515 175.510 0.036 0.000 1.017 473 N CA 1.110 54.172 53.050 0.021 0.000 0.861 473 N CB -0.229 38.251 38.487 -0.011 0.000 0.986 473 N HN 0.910 nan 8.380 nan 0.000 0.428 474 N N -1.529 117.180 118.700 0.015 0.000 2.610 474 N HA 0.231 4.972 4.740 0.001 0.000 0.264 474 N C 0.131 175.642 175.510 0.002 0.000 1.348 474 N CA -0.668 52.396 53.050 0.024 0.000 0.819 474 N CB 1.166 39.656 38.487 0.005 0.000 1.521 474 N HN -0.274 nan 8.380 nan 0.000 0.497 475 L N -0.325 120.914 121.223 0.026 0.000 2.265 475 L HA -0.062 4.279 4.340 0.001 0.000 0.215 475 L C 0.749 177.645 176.870 0.043 0.000 1.117 475 L CA 0.941 55.797 54.840 0.027 0.000 0.782 475 L CB -0.383 41.725 42.059 0.081 0.000 0.914 475 L HN 0.693 nan 8.230 nan 0.000 0.441 476 D N 0.076 120.500 120.400 0.040 0.000 2.348 476 D HA -0.125 4.516 4.640 0.001 0.000 0.216 476 D C 1.839 178.001 176.300 -0.230 0.000 0.970 476 D CA 0.638 54.627 54.000 -0.018 0.000 0.889 476 D CB 0.120 40.949 40.800 0.049 0.000 0.912 476 D HN 0.439 nan 8.370 nan 0.000 0.524 477 E N 0.293 120.381 120.200 -0.186 0.000 2.265 477 E HA -0.090 4.261 4.350 0.001 0.000 0.196 477 E C 2.000 178.397 176.600 -0.339 0.000 0.996 477 E CA 0.218 56.483 56.400 -0.224 0.000 0.832 477 E CB 0.013 29.619 29.700 -0.156 0.000 0.756 477 E HN 0.320 nan 8.360 nan 0.000 0.491 478 L N 0.839 121.812 121.223 -0.416 0.000 2.353 478 L HA -0.167 4.173 4.340 0.001 0.000 0.220 478 L C 2.469 178.939 176.870 -0.666 0.000 1.133 478 L CA 0.787 55.291 54.840 -0.559 0.000 0.798 478 L CB -0.250 41.532 42.059 -0.461 0.000 0.922 478 L HN 0.185 nan 8.230 nan 0.000 0.445 479 E N 0.660 120.277 120.200 -0.973 0.000 2.028 479 E HA -0.246 4.105 4.350 0.001 0.000 0.191 479 E C 1.917 178.282 176.600 -0.392 0.000 0.988 479 E CA 1.475 57.309 56.400 -0.943 0.000 0.799 479 E CB 0.175 29.274 29.700 -1.002 0.000 0.755 479 E HN 0.456 nan 8.360 nan 0.000 0.447 480 E N 0.661 120.675 120.200 -0.310 0.000 2.072 480 E HA -0.155 4.196 4.350 0.001 0.000 0.191 480 E C 2.180 178.726 176.600 -0.090 0.000 0.985 480 E CA 1.138 57.436 56.400 -0.170 0.000 0.801 480 E CB -0.138 29.462 29.700 -0.167 0.000 0.750 480 E HN 0.298 nan 8.360 nan 0.000 0.452 481 L N 0.390 121.540 121.223 -0.122 0.000 2.093 481 L HA -0.139 4.201 4.340 0.001 0.000 0.208 481 L C 2.465 179.470 176.870 0.225 0.000 1.085 481 L CA 0.982 55.839 54.840 0.028 0.000 0.755 481 L CB -0.558 41.479 42.059 -0.038 0.000 0.904 481 L HN 0.169 nan 8.230 nan 0.000 0.435 482 A N 0.563 123.421 122.820 0.064 0.000 1.877 482 A HA -0.186 4.135 4.320 0.001 0.000 0.216 482 A C 2.235 179.916 177.584 0.163 0.000 1.186 482 A CA 1.505 53.669 52.037 0.211 0.000 0.620 482 A CB -0.658 18.381 19.000 0.065 0.000 0.822 482 A HN 0.310 nan 8.150 nan 0.000 0.443 483 I N -0.738 119.884 120.570 0.086 0.000 2.118 483 I HA -0.281 3.889 4.170 0.001 0.000 0.241 483 I C 2.369 178.618 176.117 0.220 0.000 1.070 483 I CA 1.111 62.487 61.300 0.126 0.000 1.327 483 I CB -0.358 37.702 38.000 0.100 0.000 1.034 483 I HN 0.236 nan 8.210 nan 0.000 0.405 484 L N 0.677 122.048 121.223 0.247 0.000 1.989 484 L HA -0.212 4.128 4.340 0.001 0.000 0.211 484 L C 2.703 179.830 176.870 0.428 0.000 1.071 484 L CA 2.359 57.433 54.840 0.391 0.000 0.749 484 L CB -1.586 40.670 42.059 0.328 0.000 0.890 484 L HN 0.255 nan 8.230 nan 0.000 0.431 485 A N -1.201 121.814 122.820 0.325 0.000 1.877 485 A HA -0.150 4.170 4.320 0.001 0.000 0.216 485 A C 2.377 180.041 177.584 0.133 0.000 1.186 485 A CA 1.946 54.125 52.037 0.237 0.000 0.620 485 A CB -0.941 18.102 19.000 0.071 0.000 0.822 485 A HN 0.235 nan 8.150 nan 0.000 0.443 486 V N -0.166 119.820 119.914 0.121 0.000 2.343 486 V HA -0.257 3.863 4.120 0.001 0.000 0.247 486 V C 2.643 178.747 176.094 0.017 0.000 1.051 486 V CA 2.295 64.628 62.300 0.055 0.000 1.036 486 V CB -0.821 31.035 31.823 0.055 0.000 0.654 486 V HN 0.511 nan 8.190 nan 0.000 0.451 487 R N -0.102 120.429 120.500 0.051 0.000 2.090 487 R HA -0.020 4.320 4.340 0.001 0.000 0.228 487 R C 2.446 178.593 176.300 -0.255 0.000 1.110 487 R CA 1.306 57.399 56.100 -0.013 0.000 0.973 487 R CB -0.536 29.827 30.300 0.105 0.000 0.869 487 R HN 0.529 nan 8.270 nan 0.000 0.440 488 A N 1.067 123.724 122.820 -0.272 0.000 1.877 488 A HA -0.128 4.192 4.320 0.001 0.000 0.216 488 A C 2.115 179.454 177.584 -0.409 0.000 1.186 488 A CA 1.156 52.807 52.037 -0.642 0.000 0.620 488 A CB -0.506 18.143 19.000 -0.584 0.000 0.822 488 A HN 0.177 nan 8.150 nan 0.000 0.443 489 L N -0.975 120.135 121.223 -0.189 0.000 2.072 489 L HA -0.167 4.174 4.340 0.001 0.000 0.205 489 L C 2.380 179.180 176.870 -0.116 0.000 1.079 489 L CA 1.711 56.473 54.840 -0.129 0.000 0.752 489 L CB -0.586 41.438 42.059 -0.058 0.000 0.906 489 L HN 0.420 nan 8.230 nan 0.000 0.436 490 D N 0.027 120.365 120.400 -0.104 0.000 2.149 490 D HA -0.201 4.439 4.640 0.001 0.000 0.198 490 D C 2.144 178.388 176.300 -0.093 0.000 0.990 490 D CA 1.361 55.315 54.000 -0.077 0.000 0.839 490 D CB 0.172 40.936 40.800 -0.061 0.000 0.948 490 D HN 0.282 nan 8.370 nan 0.000 0.460 491 A N -0.057 122.658 122.820 -0.176 0.000 1.902 491 A HA -0.108 4.213 4.320 0.001 0.000 0.217 491 A C 2.129 179.643 177.584 -0.116 0.000 1.181 491 A CA 1.270 53.202 52.037 -0.175 0.000 0.623 491 A CB -0.866 17.925 19.000 -0.348 0.000 0.818 491 A HN 0.390 nan 8.150 nan 0.000 0.443 492 L N -0.127 120.993 121.223 -0.172 0.000 2.131 492 L HA -0.114 4.226 4.340 0.001 0.000 0.210 492 L C 2.161 179.076 176.870 0.075 0.000 1.092 492 L CA 1.563 56.349 54.840 -0.090 0.000 0.759 492 L CB -0.434 41.516 42.059 -0.183 0.000 0.903 492 L HN 0.402 nan 8.230 nan 0.000 0.435 493 L N -0.583 120.677 121.223 0.062 0.000 2.079 493 L HA -0.227 4.114 4.340 0.001 0.000 0.210 493 L C 2.039 179.036 176.870 0.212 0.000 1.081 493 L CA 1.391 56.325 54.840 0.157 0.000 0.752 493 L CB -0.792 41.326 42.059 0.098 0.000 0.896 493 L HN 0.336 nan 8.230 nan 0.000 0.433 494 D N -1.567 118.910 120.400 0.130 0.000 2.213 494 D HA -0.150 4.490 4.640 0.001 0.000 0.205 494 D C 1.900 178.282 176.300 0.137 0.000 0.961 494 D CA 0.804 54.875 54.000 0.118 0.000 0.853 494 D CB 0.022 40.853 40.800 0.051 0.000 0.967 494 D HN 0.292 nan 8.370 nan 0.000 0.496 495 Y N 2.080 122.382 120.300 0.003 0.000 2.200 495 Y HA -0.114 4.436 4.550 0.001 0.000 0.290 495 Y C 1.369 177.302 175.900 0.054 0.000 1.137 495 Y CA 0.923 59.020 58.100 -0.004 0.000 1.163 495 Y CB 0.089 38.520 38.460 -0.049 0.000 0.988 495 Y HN -0.039 nan 8.280 nan 0.000 0.518 496 Q N 0.647 120.550 119.800 0.172 0.000 2.318 496 Q HA 0.219 4.559 4.340 0.001 0.000 0.222 496 Q C -0.987 174.870 176.000 -0.238 0.000 1.003 496 Q CA -0.747 55.092 55.803 0.060 0.000 0.936 496 Q CB 0.951 29.779 28.738 0.150 0.000 1.204 496 Q HN 0.114 nan 8.270 nan 0.000 0.524 497 D N -0.314 119.874 120.400 -0.354 0.000 2.326 497 D HA 0.356 4.996 4.640 0.001 0.000 0.251 497 D C -1.342 174.614 176.300 -0.572 0.000 1.023 497 D CA -0.275 53.531 54.000 -0.323 0.000 0.966 497 D CB 0.882 41.562 40.800 -0.200 0.000 1.156 497 D HN 0.441 nan 8.370 nan 0.000 0.494 498 Y N 0.339 120.629 120.300 -0.016 0.000 2.332 498 Y HA 0.254 4.805 4.550 0.001 0.000 0.326 498 Y C -1.352 174.518 175.900 -0.050 0.000 0.978 498 Y CA -1.515 56.590 58.100 0.008 0.000 1.205 498 Y CB 1.824 40.304 38.460 0.033 0.000 1.131 498 Y HN 0.169 nan 8.280 nan 0.000 0.462 499 P HA 0.048 nan 4.420 nan 0.000 0.230 499 P C -0.271 176.973 177.300 -0.093 0.000 1.158 499 P CA 1.146 64.155 63.100 -0.153 0.000 0.769 499 P CB 0.861 32.326 31.700 -0.391 0.000 0.807 500 I N -0.494 120.085 120.570 0.016 0.000 2.571 500 I HA 0.234 4.404 4.170 0.001 0.000 0.289 500 I C -1.908 174.264 176.117 0.091 0.000 1.115 500 I CA -2.538 58.793 61.300 0.052 0.000 1.045 500 I CB 2.841 40.888 38.000 0.078 0.000 1.238 500 I HN -0.382 nan 8.210 nan 0.000 0.424 501 P HA -0.240 nan 4.420 nan 0.000 0.216 501 P C 1.430 178.747 177.300 0.028 0.000 1.154 501 P CA 1.483 64.603 63.100 0.034 0.000 0.865 501 P CB 0.227 31.945 31.700 0.029 0.000 0.789 502 A N -0.333 122.520 122.820 0.054 0.000 1.978 502 A HA -0.128 4.193 4.320 0.001 0.000 0.220 502 A C 2.293 179.907 177.584 0.049 0.000 1.170 502 A CA 2.085 54.157 52.037 0.058 0.000 0.636 502 A CB -1.480 17.561 19.000 0.068 0.000 0.810 502 A HN 0.229 nan 8.150 nan 0.000 0.448 503 A N -0.533 122.343 122.820 0.094 0.000 1.897 503 A HA -0.068 4.253 4.320 0.001 0.000 0.215 503 A C 2.126 179.660 177.584 -0.083 0.000 1.181 503 A CA 1.650 53.758 52.037 0.118 0.000 0.620 503 A CB -0.374 18.843 19.000 0.362 0.000 0.821 503 A HN 0.483 nan 8.150 nan 0.000 0.443 504 K N -0.375 119.890 120.400 -0.225 0.000 2.097 504 K HA -0.135 4.186 4.320 0.001 0.000 0.206 504 K C 2.282 178.616 176.600 -0.444 0.000 1.049 504 K CA 1.019 56.899 56.287 -0.678 0.000 0.933 504 K CB -0.182 32.054 32.500 -0.439 0.000 0.717 504 K HN 0.347 nan 8.250 nan 0.000 0.442 505 R N -0.422 119.945 120.500 -0.222 0.000 2.083 505 R HA -0.122 4.218 4.340 0.001 0.000 0.237 505 R C 2.404 178.509 176.300 -0.326 0.000 1.137 505 R CA 1.627 57.619 56.100 -0.179 0.000 0.951 505 R CB -0.711 29.619 30.300 0.050 0.000 0.851 505 R HN 0.364 nan 8.270 nan 0.000 0.434 506 G N 0.390 109.085 108.800 -0.175 0.000 2.422 506 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 506 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 506 G C 1.519 176.278 174.900 -0.234 0.000 1.146 506 G CA 0.909 45.921 45.100 -0.145 0.000 0.769 506 G HN 0.438 nan 8.290 nan 0.000 0.547 507 A N 0.302 122.969 122.820 -0.256 0.000 1.874 507 A HA 0.188 4.508 4.320 0.001 0.000 0.214 507 A C 2.409 179.834 177.584 -0.266 0.000 1.189 507 A CA 1.637 53.553 52.037 -0.201 0.000 0.615 507 A CB -0.256 18.647 19.000 -0.162 0.000 0.830 507 A HN 0.258 nan 8.150 nan 0.000 0.443 508 M N -0.188 119.182 119.600 -0.383 0.000 2.175 508 M HA -0.039 4.441 4.480 0.001 0.000 0.264 508 M C 2.258 178.263 176.300 -0.493 0.000 1.063 508 M CA 1.353 56.440 55.300 -0.356 0.000 1.119 508 M CB -1.839 30.564 32.600 -0.328 0.000 1.377 508 M HN 0.459 nan 8.290 nan 0.000 0.415 509 G N 0.887 109.175 108.800 -0.853 0.000 2.414 509 G HA2 -0.184 3.777 3.960 0.001 0.000 0.215 509 G HA3 -0.184 3.777 3.960 0.001 0.000 0.215 509 G C 1.739 176.207 174.900 -0.720 0.000 1.188 509 G CA 0.407 44.568 45.100 -1.564 0.000 0.783 509 G HN 0.491 nan 8.290 nan 0.000 0.537 510 R N -0.783 119.509 120.500 -0.348 0.000 2.335 510 R HA 0.281 4.622 4.340 0.001 0.000 0.210 510 R C 0.459 176.780 176.300 0.035 0.000 0.892 510 R CA -0.330 55.786 56.100 0.027 0.000 1.048 510 R CB 0.338 30.771 30.300 0.221 0.000 1.067 510 R HN 0.120 nan 8.270 nan 0.000 0.524 511 R N 2.206 122.674 120.500 -0.053 0.000 3.225 511 R HA -0.120 4.220 4.340 0.001 0.000 0.245 511 R C -0.572 175.747 176.300 0.032 0.000 0.928 511 R CA 1.095 57.183 56.100 -0.021 0.000 0.632 511 R CB -2.051 28.229 30.300 -0.034 0.000 1.038 511 R HN 0.419 nan 8.270 nan 0.000 0.461 512 T N -1.331 113.259 114.554 0.060 0.000 2.794 512 T HA 0.562 4.912 4.350 0.001 0.000 0.296 512 T C 0.670 175.408 174.700 0.064 0.000 0.949 512 T CA -0.759 61.400 62.100 0.097 0.000 1.101 512 T CB 1.442 70.398 68.868 0.147 0.000 0.905 512 T HN 0.212 nan 8.240 nan 0.000 0.516 513 L N 2.434 123.691 121.223 0.056 0.000 2.330 513 L HA 0.769 5.109 4.340 0.001 0.000 0.271 513 L C 0.675 177.569 176.870 0.040 0.000 1.013 513 L CA -1.261 53.600 54.840 0.034 0.000 0.816 513 L CB 2.106 44.175 42.059 0.016 0.000 1.287 513 L HN 0.957 nan 8.230 nan 0.000 0.435 514 G N 2.783 111.595 108.800 0.020 0.000 3.418 514 G HA2 0.587 4.548 3.960 0.001 0.000 0.325 514 G HA3 0.587 4.548 3.960 0.001 0.000 0.325 514 G C -0.778 174.115 174.900 -0.011 0.000 1.556 514 G CA -0.169 44.942 45.100 0.019 0.000 1.047 514 G HN 0.364 nan 8.290 nan 0.000 0.500 515 I N 2.073 122.629 120.570 -0.023 0.000 2.359 515 I HA 0.646 4.816 4.170 0.001 0.000 0.294 515 I C 0.963 177.050 176.117 -0.050 0.000 0.987 515 I CA -0.397 60.838 61.300 -0.108 0.000 1.225 515 I CB 2.019 39.898 38.000 -0.202 0.000 1.366 515 I HN 0.429 nan 8.210 nan 0.000 0.466 516 G N 4.945 113.701 108.800 -0.073 0.000 3.252 516 G HA2 0.795 4.755 3.960 0.001 0.000 0.181 516 G HA3 0.795 4.755 3.960 0.001 0.000 0.181 516 G C -0.826 174.097 174.900 0.038 0.000 1.187 516 G CA -0.362 44.759 45.100 0.034 0.000 0.886 516 G HN 0.563 nan 8.290 nan 0.000 0.615 517 V N -1.611 118.361 119.914 0.097 0.000 3.114 517 V HA 0.868 4.989 4.120 0.001 0.000 0.308 517 V C -0.649 175.529 176.094 0.140 0.000 1.168 517 V CA -0.991 61.380 62.300 0.118 0.000 1.015 517 V CB 1.491 33.381 31.823 0.111 0.000 1.050 517 V HN 1.247 nan 8.190 nan 0.000 0.433 518 I N -0.855 119.810 120.570 0.158 0.000 3.074 518 I HA 0.773 4.944 4.170 0.001 0.000 0.310 518 I C 0.165 176.427 176.117 0.242 0.000 1.153 518 I CA -0.734 60.679 61.300 0.189 0.000 0.993 518 I CB 2.267 40.354 38.000 0.144 0.000 1.237 518 I HN 0.767 nan 8.210 nan 0.000 0.443 519 N N 0.913 119.787 118.700 0.289 0.000 2.818 519 N HA -0.249 4.491 4.740 0.001 0.000 0.250 519 N C 0.070 175.855 175.510 0.458 0.000 1.108 519 N CA 1.049 54.317 53.050 0.363 0.000 0.745 519 N CB -1.173 37.517 38.487 0.338 0.000 1.104 519 N HN 0.850 nan 8.380 nan 0.000 0.557 520 F N 0.702 120.829 119.950 0.296 0.000 2.102 520 F HA 0.026 4.553 4.527 0.000 0.000 0.298 520 F C 2.168 178.196 175.800 0.380 0.000 1.105 520 F CA 2.131 60.317 58.000 0.311 0.000 1.239 520 F CB -0.744 38.441 39.000 0.308 0.000 0.991 520 F HN 0.211 nan 8.300 nan 0.000 0.474 521 A N -0.292 122.792 122.820 0.438 0.000 1.873 521 A HA -0.310 4.011 4.320 0.001 0.000 0.218 521 A C 2.186 179.935 177.584 0.276 0.000 1.193 521 A CA 1.956 54.250 52.037 0.428 0.000 0.629 521 A CB -1.878 17.486 19.000 0.607 0.000 0.826 521 A HN 0.611 nan 8.150 nan 0.000 0.447 522 Y N -1.018 119.444 120.300 0.270 0.000 2.165 522 Y HA -0.304 4.246 4.550 0.001 0.000 0.286 522 Y C 2.212 178.127 175.900 0.026 0.000 1.155 522 Y CA 1.953 60.133 58.100 0.134 0.000 1.164 522 Y CB -0.905 37.715 38.460 0.267 0.000 0.978 522 Y HN 0.455 nan 8.280 nan 0.000 0.513 523 Y N 0.267 120.466 120.300 -0.170 0.000 2.128 523 Y HA -0.285 4.266 4.550 0.001 0.000 0.284 523 Y C 2.206 177.973 175.900 -0.220 0.000 1.154 523 Y CA 2.177 60.142 58.100 -0.225 0.000 1.149 523 Y CB -0.656 37.785 38.460 -0.033 0.000 0.976 523 Y HN 0.176 nan 8.280 nan 0.000 0.505 524 L N -0.343 120.675 121.223 -0.341 0.000 2.012 524 L HA -0.268 4.073 4.340 0.001 0.000 0.210 524 L C 2.823 179.489 176.870 -0.340 0.000 1.073 524 L CA 1.307 55.888 54.840 -0.433 0.000 0.748 524 L CB -1.283 40.446 42.059 -0.550 0.000 0.891 524 L HN 0.378 nan 8.230 nan 0.000 0.431 525 A N 1.394 124.004 122.820 -0.350 0.000 1.865 525 A HA -0.253 4.067 4.320 0.001 0.000 0.217 525 A C 2.267 179.596 177.584 -0.424 0.000 1.191 525 A CA 2.280 54.071 52.037 -0.410 0.000 0.623 525 A CB -0.568 17.995 19.000 -0.729 0.000 0.826 525 A HN 0.568 nan 8.150 nan 0.000 0.444 526 K N -1.168 118.900 120.400 -0.554 0.000 2.362 526 K HA -0.119 4.202 4.320 0.001 0.000 0.200 526 K C 0.919 177.136 176.600 -0.637 0.000 1.046 526 K CA 1.597 57.534 56.287 -0.584 0.000 0.952 526 K CB -0.410 31.656 32.500 -0.722 0.000 0.753 526 K HN 0.634 nan 8.250 nan 0.000 0.466 527 H N 0.305 119.109 119.070 -0.444 0.000 2.526 527 H HA 0.198 4.754 4.556 0.001 0.000 0.274 527 H C 0.648 175.811 175.328 -0.273 0.000 0.999 527 H CA 0.448 56.271 56.048 -0.375 0.000 1.157 527 H CB 0.773 30.243 29.762 -0.486 0.000 1.407 527 H HN 0.524 nan 8.280 nan 0.000 0.568 528 G N 1.258 109.942 108.800 -0.193 0.000 2.273 528 G HA2 -0.288 3.673 3.960 0.001 0.000 0.280 528 G HA3 -0.288 3.673 3.960 0.001 0.000 0.280 528 G C -0.056 174.776 174.900 -0.114 0.000 1.047 528 G CA 0.108 45.121 45.100 -0.145 0.000 0.869 528 G HN 0.178 nan 8.290 nan 0.000 0.502 529 K N -0.625 119.691 120.400 -0.139 0.000 2.258 529 K HA 0.766 5.086 4.320 0.001 0.000 0.236 529 K C 0.770 177.311 176.600 -0.098 0.000 1.008 529 K CA -0.662 55.554 56.287 -0.118 0.000 0.869 529 K CB 1.410 33.819 32.500 -0.152 0.000 1.171 529 K HN 0.413 nan 8.250 nan 0.000 0.447 530 R N -0.401 120.068 120.500 -0.051 0.000 2.888 530 R HA 0.350 4.691 4.340 0.001 0.000 0.264 530 R C 0.668 176.998 176.300 0.050 0.000 1.045 530 R CA -0.749 55.375 56.100 0.041 0.000 0.962 530 R CB 0.466 30.817 30.300 0.086 0.000 1.210 530 R HN 0.459 nan 8.270 nan 0.000 0.479 531 Y N 0.189 120.530 120.300 0.067 0.000 2.314 531 Y HA -0.128 4.423 4.550 0.001 0.000 0.294 531 Y C 2.527 178.491 175.900 0.107 0.000 1.119 531 Y CA 1.852 60.027 58.100 0.124 0.000 1.179 531 Y CB 0.307 38.874 38.460 0.179 0.000 1.025 531 Y HN 0.625 nan 8.280 nan 0.000 0.541 532 S N -0.964 114.884 115.700 0.246 0.000 2.501 532 S HA -0.053 4.417 4.470 0.001 0.000 0.220 532 S C 0.991 175.660 174.600 0.115 0.000 0.997 532 S CA 0.735 59.039 58.200 0.174 0.000 0.919 532 S CB -0.165 63.116 63.200 0.135 0.000 0.778 532 S HN 0.525 nan 8.310 nan 0.000 0.523 533 D N -0.354 120.101 120.400 0.091 0.000 2.431 533 D HA 0.295 4.935 4.640 0.001 0.000 0.213 533 D C 1.365 177.688 176.300 0.037 0.000 1.130 533 D CA 0.413 54.448 54.000 0.059 0.000 0.834 533 D CB -0.326 40.502 40.800 0.048 0.000 0.985 533 D HN 0.486 nan 8.370 nan 0.000 0.504 534 G N 0.856 109.675 108.800 0.031 0.000 2.184 534 G HA2 -0.389 3.572 3.960 0.001 0.000 0.264 534 G HA3 -0.389 3.572 3.960 0.001 0.000 0.264 534 G C 1.232 176.129 174.900 -0.005 0.000 0.975 534 G CA 0.928 46.030 45.100 0.003 0.000 0.642 534 G HN 0.713 nan 8.290 nan 0.000 0.536 535 S N -0.518 115.181 115.700 -0.002 0.000 2.507 535 S HA 0.407 4.877 4.470 0.001 0.000 0.235 535 S C 2.179 176.760 174.600 -0.032 0.000 0.988 535 S CA 1.293 59.484 58.200 -0.016 0.000 0.944 535 S CB 0.024 63.214 63.200 -0.017 0.000 0.762 535 S HN 1.707 nan 8.310 nan 0.000 0.526 536 A N 1.218 124.019 122.820 -0.032 0.000 2.303 536 A HA 0.311 4.631 4.320 0.001 0.000 0.217 536 A C 1.751 179.346 177.584 0.019 0.000 1.205 536 A CA 0.162 52.177 52.037 -0.037 0.000 0.875 536 A CB -0.407 18.541 19.000 -0.087 0.000 0.910 536 A HN 0.447 nan 8.150 nan 0.000 0.501 537 N N 1.768 120.472 118.700 0.007 0.000 2.037 537 N HA -0.203 4.538 4.740 0.001 0.000 0.196 537 N C 1.364 176.914 175.510 0.066 0.000 1.034 537 N CA 2.043 55.103 53.050 0.017 0.000 0.861 537 N CB -0.343 38.129 38.487 -0.026 0.000 1.039 537 N HN 0.460 nan 8.380 nan 0.000 0.427 538 N N 0.182 118.906 118.700 0.040 0.000 2.142 538 N HA -0.071 4.670 4.740 0.001 0.000 0.186 538 N C 1.710 177.287 175.510 0.111 0.000 1.023 538 N CA 0.339 53.424 53.050 0.059 0.000 0.852 538 N CB -0.581 37.911 38.487 0.009 0.000 0.998 538 N HN 0.177 nan 8.380 nan 0.000 0.424 539 L N 1.272 122.534 121.223 0.065 0.000 2.042 539 L HA -0.129 4.212 4.340 0.001 0.000 0.210 539 L C 1.865 178.859 176.870 0.208 0.000 1.076 539 L CA 1.742 56.618 54.840 0.059 0.000 0.749 539 L CB -1.177 40.840 42.059 -0.069 0.000 0.893 539 L HN 0.108 nan 8.230 nan 0.000 0.432 540 T N -1.392 113.331 114.554 0.280 0.000 2.708 540 T HA -0.242 4.109 4.350 0.001 0.000 0.266 540 T C 1.838 176.773 174.700 0.391 0.000 1.037 540 T CA 1.542 63.903 62.100 0.434 0.000 1.146 540 T CB -0.553 68.515 68.868 0.332 0.000 0.865 540 T HN 0.513 nan 8.240 nan 0.000 0.435 541 H N 1.502 120.691 119.070 0.199 0.000 2.290 541 H HA -0.065 4.491 4.556 0.001 0.000 0.298 541 H C 2.482 177.876 175.328 0.109 0.000 1.087 541 H CA 2.023 58.192 56.048 0.203 0.000 1.291 541 H CB -0.160 29.693 29.762 0.152 0.000 1.369 541 H HN 0.309 nan 8.280 nan 0.000 0.492 542 K N -0.426 120.151 120.400 0.295 0.000 2.063 542 K HA -0.121 4.199 4.320 0.001 0.000 0.208 542 K C 2.146 178.797 176.600 0.085 0.000 1.048 542 K CA 1.922 58.339 56.287 0.217 0.000 0.928 542 K CB 0.049 32.647 32.500 0.164 0.000 0.713 542 K HN 0.232 nan 8.250 nan 0.000 0.442 543 T N 0.167 114.779 114.554 0.097 0.000 2.737 543 T HA -0.073 4.277 4.350 0.001 0.000 0.265 543 T C 1.492 176.026 174.700 -0.276 0.000 1.038 543 T CA 1.392 63.462 62.100 -0.051 0.000 1.144 543 T CB -0.252 68.629 68.868 0.022 0.000 0.866 543 T HN 0.169 nan 8.240 nan 0.000 0.434 544 F N 1.154 120.985 119.950 -0.199 0.000 2.416 544 F HA 0.155 4.682 4.527 0.001 0.000 0.296 544 F C 2.482 177.861 175.800 -0.701 0.000 1.099 544 F CA 0.362 58.187 58.000 -0.292 0.000 1.427 544 F CB -0.165 38.758 39.000 -0.129 0.000 1.079 544 F HN 0.152 nan 8.300 nan 0.000 0.536 545 E N 0.870 120.414 120.200 -1.094 0.000 2.038 545 E HA -0.278 4.073 4.350 0.001 0.000 0.195 545 E C 2.409 178.870 176.600 -0.232 0.000 1.000 545 E CA 1.335 57.129 56.400 -1.010 0.000 0.803 545 E CB -0.189 29.208 29.700 -0.506 0.000 0.750 545 E HN 0.327 nan 8.360 nan 0.000 0.448 546 A N 0.974 123.701 122.820 -0.155 0.000 1.940 546 A HA -0.186 4.134 4.320 0.001 0.000 0.219 546 A C 2.191 179.657 177.584 -0.197 0.000 1.176 546 A CA 1.460 53.369 52.037 -0.215 0.000 0.631 546 A CB -0.627 18.384 19.000 0.018 0.000 0.814 546 A HN 0.333 nan 8.150 nan 0.000 0.446 547 I N -1.208 119.254 120.570 -0.179 0.000 2.202 547 I HA -0.262 3.909 4.170 0.001 0.000 0.242 547 I C 2.778 178.904 176.117 0.015 0.000 1.091 547 I CA 1.819 63.049 61.300 -0.117 0.000 1.368 547 I CB -0.235 37.681 38.000 -0.140 0.000 1.058 547 I HN 0.375 nan 8.210 nan 0.000 0.410 548 Q N 0.136 119.987 119.800 0.085 0.000 2.123 548 Q HA -0.240 4.101 4.340 0.001 0.000 0.199 548 Q C 2.069 178.116 176.000 0.079 0.000 0.966 548 Q CA 1.670 57.609 55.803 0.227 0.000 0.845 548 Q CB -0.503 28.540 28.738 0.508 0.000 0.907 548 Q HN 0.526 nan 8.270 nan 0.000 0.439 549 Y N -0.462 119.686 120.300 -0.253 0.000 2.070 549 Y HA -0.314 4.236 4.550 0.001 0.000 0.280 549 Y C 1.570 177.135 175.900 -0.559 0.000 1.148 549 Y CA 2.133 59.773 58.100 -0.766 0.000 1.125 549 Y CB -0.572 37.161 38.460 -1.212 0.000 0.975 549 Y HN 0.193 nan 8.280 nan 0.000 0.492 550 Y N -0.108 119.946 120.300 -0.410 0.000 2.293 550 Y HA -0.179 4.371 4.550 0.001 0.000 0.291 550 Y C 2.428 178.158 175.900 -0.284 0.000 1.137 550 Y CA 1.231 59.086 58.100 -0.408 0.000 1.202 550 Y CB -0.775 37.508 38.460 -0.294 0.000 0.990 550 Y HN 0.169 nan 8.280 nan 0.000 0.537 551 L N -0.940 120.275 121.223 -0.014 0.000 1.994 551 L HA -0.259 4.082 4.340 0.001 0.000 0.208 551 L C 2.295 179.119 176.870 -0.077 0.000 1.071 551 L CA 1.311 56.168 54.840 0.029 0.000 0.745 551 L CB -0.816 41.311 42.059 0.113 0.000 0.892 551 L HN 0.216 nan 8.230 nan 0.000 0.431 552 L N -0.215 120.917 121.223 -0.152 0.000 2.042 552 L HA -0.267 4.073 4.340 0.001 0.000 0.210 552 L C 2.687 179.386 176.870 -0.286 0.000 1.076 552 L CA 1.414 56.120 54.840 -0.224 0.000 0.749 552 L CB -0.475 41.457 42.059 -0.212 0.000 0.893 552 L HN 0.267 nan 8.230 nan 0.000 0.432 553 K N 0.162 120.318 120.400 -0.407 0.000 2.026 553 K HA -0.177 4.143 4.320 0.001 0.000 0.208 553 K C 2.167 178.651 176.600 -0.193 0.000 1.048 553 K CA 1.339 57.400 56.287 -0.376 0.000 0.929 553 K CB -0.117 32.075 32.500 -0.514 0.000 0.713 553 K HN 0.258 nan 8.250 nan 0.000 0.439 554 A N 0.168 122.911 122.820 -0.127 0.000 1.877 554 A HA -0.177 4.144 4.320 0.001 0.000 0.216 554 A C 2.207 179.752 177.584 -0.065 0.000 1.186 554 A CA 2.211 54.214 52.037 -0.056 0.000 0.620 554 A CB -0.964 18.037 19.000 0.001 0.000 0.822 554 A HN 0.411 nan 8.150 nan 0.000 0.443 555 S N -0.541 115.105 115.700 -0.090 0.000 2.406 555 S HA -0.158 4.312 4.470 0.001 0.000 0.228 555 S C 2.012 176.530 174.600 -0.136 0.000 1.020 555 S CA 1.244 59.383 58.200 -0.101 0.000 0.965 555 S CB -0.650 62.480 63.200 -0.116 0.000 0.798 555 S HN 0.726 nan 8.310 nan 0.000 0.488 556 N N 0.407 119.012 118.700 -0.158 0.000 2.043 556 N HA -0.151 4.590 4.740 0.001 0.000 0.193 556 N C 1.583 177.008 175.510 -0.141 0.000 1.037 556 N CA 1.552 54.508 53.050 -0.157 0.000 0.851 556 N CB -0.133 38.262 38.487 -0.152 0.000 1.027 556 N HN 0.523 nan 8.380 nan 0.000 0.422 557 E N 0.757 120.884 120.200 -0.122 0.000 2.085 557 E HA -0.206 4.144 4.350 0.001 0.000 0.194 557 E C 2.122 178.665 176.600 -0.094 0.000 0.994 557 E CA 0.701 57.036 56.400 -0.107 0.000 0.801 557 E CB -0.361 29.302 29.700 -0.062 0.000 0.743 557 E HN 0.351 nan 8.360 nan 0.000 0.453 558 L N 1.160 122.338 121.223 -0.075 0.000 2.141 558 L HA -0.061 4.280 4.340 0.001 0.000 0.209 558 L C 2.271 179.084 176.870 -0.096 0.000 1.094 558 L CA 1.716 56.517 54.840 -0.066 0.000 0.763 558 L CB -0.531 41.500 42.059 -0.046 0.000 0.908 558 L HN 0.038 nan 8.230 nan 0.000 0.437 559 A N -0.818 121.929 122.820 -0.122 0.000 1.930 559 A HA -0.192 4.128 4.320 0.001 0.000 0.217 559 A C 2.313 179.830 177.584 -0.111 0.000 1.175 559 A CA 1.638 53.593 52.037 -0.137 0.000 0.627 559 A CB -0.419 18.460 19.000 -0.201 0.000 0.815 559 A HN 0.471 nan 8.150 nan 0.000 0.443 560 K N -0.578 119.740 120.400 -0.136 0.000 2.026 560 K HA -0.184 4.137 4.320 0.001 0.000 0.208 560 K C 2.118 178.653 176.600 -0.109 0.000 1.048 560 K CA 1.625 57.813 56.287 -0.166 0.000 0.929 560 K CB -0.130 32.191 32.500 -0.299 0.000 0.713 560 K HN 0.672 nan 8.250 nan 0.000 0.439 561 E N 0.424 120.563 120.200 -0.101 0.000 2.152 561 E HA -0.158 4.193 4.350 0.001 0.000 0.192 561 E C 1.295 177.841 176.600 -0.091 0.000 0.983 561 E CA 1.043 57.391 56.400 -0.087 0.000 0.818 561 E CB 0.381 30.035 29.700 -0.078 0.000 0.758 561 E HN 0.302 nan 8.360 nan 0.000 0.467 562 Q N -1.420 118.325 119.800 -0.092 0.000 2.089 562 Q HA 0.246 4.587 4.340 0.001 0.000 0.227 562 Q C -0.388 175.565 176.000 -0.078 0.000 0.774 562 Q CA 0.238 55.984 55.803 -0.095 0.000 0.960 562 Q CB 2.371 31.039 28.738 -0.116 0.000 1.179 562 Q HN 0.223 nan 8.270 nan 0.000 0.460 563 G N 1.496 110.250 108.800 -0.076 0.000 2.906 563 G HA2 0.097 4.057 3.960 0.001 0.000 0.686 563 G HA3 0.097 4.057 3.960 0.001 0.000 0.686 563 G C -0.420 174.424 174.900 -0.093 0.000 1.170 563 G CA -0.579 44.480 45.100 -0.067 0.000 0.775 563 G HN 0.300 nan 8.290 nan 0.000 0.630 564 A N 1.152 123.900 122.820 -0.119 0.000 2.492 564 A HA 0.549 4.870 4.320 0.001 0.000 0.236 564 A C 1.697 179.244 177.584 -0.061 0.000 1.078 564 A CA 0.687 52.616 52.037 -0.179 0.000 0.773 564 A CB -0.355 18.464 19.000 -0.301 0.000 1.023 564 A HN 2.544 nan 8.150 nan 0.000 0.504 565 C N 0.476 119.766 119.300 -0.016 0.000 2.676 565 C HA 0.393 4.854 4.460 0.001 0.000 0.416 565 C C -0.984 174.060 174.990 0.089 0.000 1.299 565 C CA -1.039 57.991 59.018 0.020 0.000 2.048 565 C CB -0.254 27.510 27.740 0.040 0.000 2.713 565 C HN 0.706 nan 8.230 nan 0.000 0.624 566 P HA -0.146 nan 4.420 nan 0.000 0.219 566 P C 0.630 178.157 177.300 0.378 0.000 1.158 566 P CA 2.060 65.219 63.100 0.099 0.000 0.895 566 P CB -0.079 31.543 31.700 -0.129 0.000 0.792 567 W N -2.470 118.904 121.300 0.124 0.000 3.151 567 W HA 0.346 5.006 4.660 0.000 0.000 0.424 567 W C 1.269 177.896 176.519 0.180 0.000 1.012 567 W CA -1.402 56.020 57.345 0.129 0.000 2.018 567 W CB -1.778 27.742 29.460 0.100 0.000 1.087 567 W HN -0.071 nan 8.180 nan 0.000 0.740 568 F N 3.314 123.410 119.950 0.243 0.000 2.154 568 F HA -0.319 4.209 4.527 0.001 0.000 0.301 568 F C 2.135 178.032 175.800 0.163 0.000 1.087 568 F CA 2.163 60.264 58.000 0.170 0.000 1.274 568 F CB -0.334 38.729 39.000 0.104 0.000 1.009 568 F HN -0.025 nan 8.300 nan 0.000 0.485 569 N N 0.560 119.332 118.700 0.121 0.000 2.513 569 N HA -0.219 4.521 4.740 0.001 0.000 0.187 569 N C 0.980 176.464 175.510 -0.043 0.000 1.056 569 N CA 1.557 54.608 53.050 0.001 0.000 0.907 569 N CB -0.825 37.711 38.487 0.080 0.000 0.954 569 N HN 0.558 nan 8.380 nan 0.000 0.445 570 E N 0.446 120.660 120.200 0.023 0.000 2.479 570 E HA 0.001 4.351 4.350 0.001 0.000 0.193 570 E C 0.264 176.907 176.600 0.072 0.000 1.049 570 E CA 0.122 56.559 56.400 0.062 0.000 0.870 570 E CB 0.308 30.085 29.700 0.128 0.000 0.944 570 E HN 0.496 nan 8.360 nan 0.000 0.492 571 T N -0.972 113.525 114.554 -0.096 0.000 2.913 571 T HA 0.089 4.439 4.350 0.001 0.000 0.287 571 T C 1.510 176.069 174.700 -0.235 0.000 1.008 571 T CA -0.261 61.716 62.100 -0.204 0.000 1.067 571 T CB 1.620 70.307 68.868 -0.301 0.000 0.996 571 T HN -0.008 nan 8.240 nan 0.000 0.513 572 T N -0.590 113.823 114.554 -0.235 0.000 2.915 572 T HA -0.132 4.218 4.350 0.001 0.000 0.269 572 T C 1.410 175.981 174.700 -0.215 0.000 1.071 572 T CA 0.764 62.732 62.100 -0.219 0.000 1.132 572 T CB -0.908 67.812 68.868 -0.248 0.000 0.878 572 T HN 0.655 nan 8.240 nan 0.000 0.479 573 Y N 2.158 122.345 120.300 -0.189 0.000 2.256 573 Y HA 0.082 4.632 4.550 0.001 0.000 0.288 573 Y C 2.963 178.786 175.900 -0.129 0.000 1.155 573 Y CA 0.540 58.587 58.100 -0.088 0.000 1.203 573 Y CB -0.943 37.533 38.460 0.028 0.000 0.980 573 Y HN 0.365 nan 8.280 nan 0.000 0.530 574 A N -0.057 122.548 122.820 -0.359 0.000 1.969 574 A HA -0.150 4.171 4.320 0.001 0.000 0.218 574 A C 1.921 179.491 177.584 -0.023 0.000 1.169 574 A CA 1.303 53.151 52.037 -0.315 0.000 0.635 574 A CB -0.401 18.267 19.000 -0.552 0.000 0.810 574 A HN 0.368 nan 8.150 nan 0.000 0.445 575 K N -0.954 119.417 120.400 -0.048 0.000 2.504 575 K HA 0.238 4.559 4.320 0.001 0.000 0.199 575 K C 0.938 177.555 176.600 0.028 0.000 1.028 575 K CA 0.393 56.676 56.287 -0.006 0.000 1.164 575 K CB -0.196 32.286 32.500 -0.030 0.000 0.877 575 K HN 0.606 nan 8.250 nan 0.000 0.508 576 G N 1.755 110.599 108.800 0.074 0.000 2.168 576 G HA2 -0.285 3.675 3.960 0.001 0.000 0.263 576 G HA3 -0.285 3.675 3.960 0.001 0.000 0.263 576 G C 0.162 175.111 174.900 0.082 0.000 0.977 576 G CA -0.011 45.154 45.100 0.109 0.000 0.659 576 G HN 0.309 nan 8.290 nan 0.000 0.533 577 I N 0.884 121.463 120.570 0.015 0.000 2.416 577 I HA 0.439 4.610 4.170 0.001 0.000 0.288 577 I C 0.863 176.923 176.117 -0.095 0.000 1.051 577 I CA -0.444 60.833 61.300 -0.039 0.000 1.375 577 I CB 0.874 38.820 38.000 -0.090 0.000 1.407 577 I HN -0.004 nan 8.210 nan 0.000 0.516 578 L N 8.020 129.230 121.223 -0.022 0.000 2.322 578 L HA 0.436 4.776 4.340 0.001 0.000 0.269 578 L C -1.363 175.469 176.870 -0.063 0.000 1.012 578 L CA -1.616 53.233 54.840 0.015 0.000 0.815 578 L CB 1.434 43.634 42.059 0.235 0.000 1.295 578 L HN 0.355 nan 8.230 nan 0.000 0.438 579 P HA -0.199 nan 4.420 nan 0.000 0.217 579 P C 1.389 178.679 177.300 -0.016 0.000 1.148 579 P CA 1.565 64.655 63.100 -0.018 0.000 0.828 579 P CB -0.070 31.635 31.700 0.009 0.000 0.783 580 I N -3.544 116.901 120.570 -0.207 0.000 3.176 580 I HA -0.040 4.131 4.170 0.001 0.000 0.275 580 I C 0.932 177.066 176.117 0.029 0.000 1.298 580 I CA 1.313 62.458 61.300 -0.259 0.000 1.445 580 I CB -0.619 37.042 38.000 -0.565 0.000 1.075 580 I HN -0.243 nan 8.210 nan 0.000 0.482 581 D N 1.320 121.727 120.400 0.011 0.000 2.327 581 D HA -0.026 4.615 4.640 0.001 0.000 0.205 581 D C 1.936 178.188 176.300 -0.080 0.000 0.989 581 D CA 1.641 55.629 54.000 -0.020 0.000 0.873 581 D CB 0.296 41.083 40.800 -0.022 0.000 0.955 581 D HN 0.569 nan 8.370 nan 0.000 0.515 582 T N -2.010 112.533 114.554 -0.018 0.000 3.084 582 T HA 0.103 4.453 4.350 0.001 0.000 0.270 582 T C 0.726 175.304 174.700 -0.203 0.000 1.008 582 T CA -0.700 61.370 62.100 -0.049 0.000 0.900 582 T CB -0.614 68.310 68.868 0.094 0.000 1.084 582 T HN 0.117 nan 8.240 nan 0.000 0.538 583 Y N 1.256 121.290 120.300 -0.443 0.000 2.330 583 Y HA 0.653 5.203 4.550 0.001 0.000 0.341 583 Y C 0.429 176.012 175.900 -0.527 0.000 1.278 583 Y CA -1.867 55.699 58.100 -0.891 0.000 1.453 583 Y CB 0.493 38.499 38.460 -0.757 0.000 1.342 583 Y HN -0.169 nan 8.280 nan 0.000 0.590 584 K N 2.102 122.255 120.400 -0.412 0.000 2.402 584 K HA 0.063 4.384 4.320 0.001 0.000 0.285 584 K C 0.326 176.800 176.600 -0.210 0.000 1.054 584 K CA 0.095 56.179 56.287 -0.338 0.000 1.001 584 K CB 0.717 32.997 32.500 -0.367 0.000 0.946 584 K HN 0.727 nan 8.250 nan 0.000 0.473 585 K N 2.554 122.771 120.400 -0.304 0.000 2.147 585 K HA -0.102 4.219 4.320 0.001 0.000 0.205 585 K C 0.570 177.152 176.600 -0.030 0.000 1.049 585 K CA 1.581 57.723 56.287 -0.243 0.000 0.936 585 K CB -0.047 32.308 32.500 -0.242 0.000 0.722 585 K HN 0.684 nan 8.250 nan 0.000 0.446 586 D N 0.359 120.742 120.400 -0.029 0.000 2.271 586 D HA -0.173 4.467 4.640 0.001 0.000 0.207 586 D C 1.390 177.810 176.300 0.201 0.000 0.983 586 D CA 0.728 54.751 54.000 0.038 0.000 0.878 586 D CB -0.116 40.636 40.800 -0.081 0.000 0.920 586 D HN 0.150 nan 8.370 nan 0.000 0.479 587 L N 0.535 121.890 121.223 0.220 0.000 2.187 587 L HA -0.179 4.161 4.340 0.001 0.000 0.213 587 L C 1.573 178.522 176.870 0.132 0.000 1.100 587 L CA 0.930 55.891 54.840 0.202 0.000 0.765 587 L CB -0.234 41.909 42.059 0.140 0.000 0.904 587 L HN -0.004 nan 8.230 nan 0.000 0.437 588 D N -0.723 119.765 120.400 0.148 0.000 2.178 588 D HA -0.162 4.479 4.640 0.001 0.000 0.201 588 D C 2.178 178.509 176.300 0.051 0.000 0.980 588 D CA 1.854 55.904 54.000 0.083 0.000 0.842 588 D CB -0.194 40.652 40.800 0.076 0.000 0.948 588 D HN 0.416 nan 8.370 nan 0.000 0.472 589 T N -1.107 113.498 114.554 0.084 0.000 3.085 589 T HA -0.036 4.315 4.350 0.001 0.000 0.263 589 T C 1.882 176.621 174.700 0.066 0.000 1.127 589 T CA 0.386 62.533 62.100 0.078 0.000 1.103 589 T CB -0.398 68.534 68.868 0.106 0.000 0.921 589 T HN 0.417 nan 8.240 nan 0.000 0.510 590 I N -2.145 118.453 120.570 0.047 0.000 4.154 590 I HA 0.776 4.946 4.170 0.001 0.000 0.334 590 I C 0.326 176.410 176.117 -0.056 0.000 1.371 590 I CA -1.088 60.197 61.300 -0.025 0.000 1.110 590 I CB 0.390 38.301 38.000 -0.149 0.000 1.085 590 I HN 0.232 nan 8.210 nan 0.000 0.398 591 A N 2.444 125.233 122.820 -0.050 0.000 2.566 591 A HA 0.611 4.931 4.320 0.001 0.000 0.297 591 A C -0.728 176.777 177.584 -0.131 0.000 1.059 591 A CA -0.575 51.411 52.037 -0.084 0.000 0.691 591 A CB 0.950 19.904 19.000 -0.076 0.000 1.282 591 A HN 0.309 nan 8.150 nan 0.000 0.401 592 N N 0.754 119.368 118.700 -0.144 0.000 2.299 592 N HA 0.143 4.883 4.740 0.001 0.000 0.246 592 N C -0.369 175.019 175.510 -0.204 0.000 1.254 592 N CA -0.276 52.681 53.050 -0.154 0.000 0.879 592 N CB 0.576 39.012 38.487 -0.086 0.000 1.214 592 N HN 0.629 nan 8.380 nan 0.000 0.510 593 E N 3.004 123.019 120.200 -0.308 0.000 2.366 593 E HA 0.182 4.533 4.350 0.001 0.000 0.266 593 E C -2.097 174.289 176.600 -0.357 0.000 1.015 593 E CA -1.369 54.867 56.400 -0.274 0.000 0.906 593 E CB 0.725 30.310 29.700 -0.193 0.000 0.979 593 E HN 0.263 nan 8.360 nan 0.000 0.443 594 P HA 0.055 nan 4.420 nan 0.000 0.274 594 P C -0.510 176.561 177.300 -0.382 0.000 1.237 594 P CA -0.178 62.743 63.100 -0.297 0.000 0.793 594 P CB 0.594 32.115 31.700 -0.299 0.000 0.977 595 L N 2.877 124.004 121.223 -0.161 0.000 2.453 595 L HA 0.077 4.418 4.340 0.001 0.000 0.272 595 L C 1.819 178.551 176.870 -0.230 0.000 1.182 595 L CA -0.095 54.731 54.840 -0.023 0.000 0.858 595 L CB -0.096 42.046 42.059 0.137 0.000 1.120 595 L HN 0.490 nan 8.230 nan 0.000 0.474 596 H N 1.945 121.010 119.070 -0.008 0.000 2.740 596 H HA 0.163 4.719 4.556 0.001 0.000 0.265 596 H C -0.459 174.546 175.328 -0.539 0.000 0.978 596 H CA 0.165 56.034 56.048 -0.299 0.000 1.198 596 H CB 0.448 29.937 29.762 -0.456 0.000 1.467 596 H HN 0.413 nan 8.280 nan 0.000 0.511 597 Y N 0.588 120.834 120.300 -0.090 0.000 2.496 597 Y HA 0.177 4.727 4.550 0.001 0.000 0.331 597 Y C 0.690 176.419 175.900 -0.285 0.000 1.140 597 Y CA -1.148 56.653 58.100 -0.498 0.000 1.166 597 Y CB 1.045 38.656 38.460 -1.415 0.000 1.249 597 Y HN -0.138 nan 8.280 nan 0.000 0.479 598 D N 1.375 121.674 120.400 -0.168 0.000 2.498 598 D HA 0.003 4.643 4.640 0.001 0.000 0.229 598 D C -0.048 176.325 176.300 0.120 0.000 1.188 598 D CA 0.122 54.145 54.000 0.038 0.000 1.028 598 D CB -0.082 40.756 40.800 0.063 0.000 1.087 598 D HN 0.547 nan 8.370 nan 0.000 0.510 599 W N 1.508 122.900 121.300 0.153 0.000 2.436 599 W HA -0.057 4.603 4.660 0.001 0.000 0.284 599 W C 2.052 178.675 176.519 0.174 0.000 1.225 599 W CA 0.025 57.499 57.345 0.215 0.000 1.271 599 W CB 0.299 29.874 29.460 0.192 0.000 1.114 599 W HN 0.304 nan 8.180 nan 0.000 0.559 600 E N 0.164 120.557 120.200 0.321 0.000 2.072 600 E HA -0.132 4.219 4.350 0.001 0.000 0.190 600 E C 2.284 178.986 176.600 0.170 0.000 0.982 600 E CA 1.408 57.938 56.400 0.218 0.000 0.803 600 E CB -1.238 28.559 29.700 0.161 0.000 0.755 600 E HN 0.195 nan 8.360 nan 0.000 0.453 601 A N 1.682 124.592 122.820 0.149 0.000 1.884 601 A HA -0.221 4.099 4.320 0.001 0.000 0.219 601 A C 2.311 179.965 177.584 0.116 0.000 1.197 601 A CA 1.840 53.949 52.037 0.120 0.000 0.637 601 A CB -0.853 18.213 19.000 0.111 0.000 0.827 601 A HN 0.261 nan 8.150 nan 0.000 0.450 602 L N -0.269 121.030 121.223 0.127 0.000 2.046 602 L HA -0.157 4.183 4.340 0.001 0.000 0.208 602 L C 2.510 179.460 176.870 0.133 0.000 1.077 602 L CA 2.475 57.360 54.840 0.075 0.000 0.747 602 L CB -0.596 41.455 42.059 -0.013 0.000 0.896 602 L HN 0.498 nan 8.230 nan 0.000 0.432 603 R N -0.686 119.936 120.500 0.203 0.000 2.096 603 R HA -0.206 4.135 4.340 0.001 0.000 0.240 603 R C 2.112 178.510 176.300 0.163 0.000 1.139 603 R CA 1.864 58.092 56.100 0.214 0.000 0.952 603 R CB -0.206 30.224 30.300 0.216 0.000 0.854 603 R HN 0.408 nan 8.270 nan 0.000 0.436 604 E N 0.118 120.397 120.200 0.131 0.000 2.051 604 E HA -0.149 4.202 4.350 0.001 0.000 0.192 604 E C 1.967 178.625 176.600 0.097 0.000 0.991 604 E CA 1.271 57.732 56.400 0.101 0.000 0.799 604 E CB -0.593 29.158 29.700 0.085 0.000 0.748 604 E HN 0.227 nan 8.360 nan 0.000 0.449 605 S N 0.126 115.892 115.700 0.110 0.000 2.400 605 S HA -0.098 4.373 4.470 0.001 0.000 0.232 605 S C 2.021 176.700 174.600 0.131 0.000 1.025 605 S CA 0.690 58.975 58.200 0.142 0.000 0.993 605 S CB -0.162 63.100 63.200 0.104 0.000 0.808 605 S HN 0.162 nan 8.310 nan 0.000 0.478 606 I N 0.765 121.402 120.570 0.112 0.000 2.286 606 I HA -0.121 4.049 4.170 0.001 0.000 0.245 606 I C 2.526 178.756 176.117 0.189 0.000 1.104 606 I CA 0.990 62.368 61.300 0.129 0.000 1.397 606 I CB -0.218 37.902 38.000 0.200 0.000 1.072 606 I HN 0.174 nan 8.210 nan 0.000 0.417 607 K N 0.186 120.696 120.400 0.183 0.000 2.097 607 K HA -0.141 4.180 4.320 0.001 0.000 0.206 607 K C 2.107 178.756 176.600 0.081 0.000 1.049 607 K CA 1.831 58.219 56.287 0.169 0.000 0.933 607 K CB -0.301 32.270 32.500 0.118 0.000 0.717 607 K HN 0.351 nan 8.250 nan 0.000 0.442 608 T N -0.240 114.302 114.554 -0.019 0.000 2.698 608 T HA -0.085 4.265 4.350 0.001 0.000 0.260 608 T C 1.477 175.997 174.700 -0.300 0.000 1.044 608 T CA 1.349 63.322 62.100 -0.213 0.000 1.149 608 T CB -0.194 68.448 68.868 -0.377 0.000 0.864 608 T HN 0.373 nan 8.240 nan 0.000 0.419 609 H N -0.172 118.873 119.070 -0.041 0.000 2.648 609 H HA 0.469 5.025 4.556 0.001 0.000 0.265 609 H C 1.320 176.497 175.328 -0.252 0.000 0.961 609 H CA 0.195 56.178 56.048 -0.108 0.000 1.185 609 H CB 0.230 29.933 29.762 -0.098 0.000 1.449 609 H HN 0.553 nan 8.280 nan 0.000 0.523 610 G N 0.507 109.137 108.800 -0.283 0.000 2.782 610 G HA2 -0.251 3.710 3.960 0.001 0.000 0.228 610 G HA3 -0.251 3.710 3.960 0.001 0.000 0.228 610 G C -0.860 173.540 174.900 -0.833 0.000 1.372 610 G CA -0.523 43.935 45.100 -1.071 0.000 0.862 610 G HN 0.178 nan 8.290 nan 0.000 0.547 611 L N -0.313 120.212 121.223 -1.163 0.000 2.334 611 L HA 0.601 4.942 4.340 0.001 0.000 0.276 611 L C 1.592 178.274 176.870 -0.312 0.000 1.014 611 L CA -0.897 53.673 54.840 -0.451 0.000 0.815 611 L CB 1.821 43.752 42.059 -0.214 0.000 1.268 611 L HN 0.724 nan 8.230 nan 0.000 0.428 612 R N 1.864 122.250 120.500 -0.190 0.000 2.120 612 R HA -0.063 4.278 4.340 0.001 0.000 0.234 612 R C -0.289 175.978 176.300 -0.054 0.000 1.123 612 R CA 1.368 57.400 56.100 -0.114 0.000 0.975 612 R CB -0.132 30.113 30.300 -0.092 0.000 0.866 612 R HN 0.712 nan 8.270 nan 0.000 0.446 613 N N -1.362 117.313 118.700 -0.041 0.000 2.296 613 N HA 0.209 4.949 4.740 0.001 0.000 0.294 613 N C -0.433 175.107 175.510 0.050 0.000 1.033 613 N CA -0.354 52.702 53.050 0.010 0.000 0.839 613 N CB 2.281 40.765 38.487 -0.006 0.000 1.395 613 N HN -0.168 nan 8.380 nan 0.000 0.479 614 S N -0.216 115.558 115.700 0.123 0.000 2.402 614 S HA -0.052 4.419 4.470 0.001 0.000 0.229 614 S C 0.910 175.528 174.600 0.031 0.000 1.021 614 S CA 0.976 59.258 58.200 0.136 0.000 0.974 614 S CB -0.132 63.240 63.200 0.288 0.000 0.800 614 S HN 0.833 nan 8.310 nan 0.000 0.484 615 T N -1.811 112.795 114.554 0.087 0.000 2.916 615 T HA 0.732 5.083 4.350 0.001 0.000 0.292 615 T C 0.243 174.982 174.700 0.065 0.000 1.055 615 T CA -0.796 61.354 62.100 0.084 0.000 1.009 615 T CB 1.702 70.653 68.868 0.139 0.000 1.118 615 T HN -0.036 nan 8.240 nan 0.000 0.497 616 L N 0.886 122.152 121.223 0.072 0.000 2.806 616 L HA 0.366 4.707 4.340 0.001 0.000 0.242 616 L C 0.814 177.728 176.870 0.074 0.000 1.068 616 L CA -0.033 54.843 54.840 0.060 0.000 0.923 616 L CB 0.662 42.750 42.059 0.048 0.000 1.364 616 L HN 0.918 nan 8.230 nan 0.000 0.511 617 S N -0.176 115.584 115.700 0.100 0.000 2.542 617 S HA 0.900 5.370 4.470 0.001 0.000 0.293 617 S C -0.587 174.067 174.600 0.091 0.000 1.089 617 S CA -0.324 57.942 58.200 0.109 0.000 0.961 617 S CB 2.647 65.948 63.200 0.169 0.000 1.062 617 S HN 0.126 nan 8.310 nan 0.000 0.483 618 A N 2.403 125.268 122.820 0.076 0.000 2.530 618 A HA 0.559 4.879 4.320 0.001 0.000 0.297 618 A C -1.266 176.347 177.584 0.049 0.000 1.059 618 A CA -0.771 51.297 52.037 0.051 0.000 0.782 618 A CB 0.770 19.789 19.000 0.031 0.000 1.301 618 A HN 0.878 nan 8.150 nan 0.000 0.394 619 L N 4.683 125.932 121.223 0.042 0.000 2.288 619 L HA 0.408 4.749 4.340 0.001 0.000 0.283 619 L C 0.483 177.366 176.870 0.021 0.000 1.072 619 L CA -0.499 54.369 54.840 0.047 0.000 0.862 619 L CB 0.676 42.757 42.059 0.035 0.000 1.245 619 L HN 0.840 nan 8.230 nan 0.000 0.432 620 M N 3.171 122.785 119.600 0.023 0.000 2.494 620 M HA 0.707 5.187 4.480 0.001 0.000 0.300 620 M C -2.744 173.576 176.300 0.034 0.000 1.189 620 M CA -2.133 53.167 55.300 -0.000 0.000 0.982 620 M CB 0.137 32.734 32.600 -0.005 0.000 1.534 620 M HN -0.001 nan 8.290 nan 0.000 0.488 621 P HA 0.410 nan 4.420 nan 0.000 0.276 621 P C -1.209 176.139 177.300 0.080 0.000 1.244 621 P CA -0.369 62.780 63.100 0.082 0.000 0.801 621 P CB 0.817 32.584 31.700 0.112 0.000 1.006 622 S N -1.063 114.694 115.700 0.096 0.000 2.571 622 S HA 0.484 4.954 4.470 0.001 0.000 0.284 622 S C 0.262 174.915 174.600 0.088 0.000 1.128 622 S CA -0.403 57.851 58.200 0.090 0.000 0.970 622 S CB 2.401 65.657 63.200 0.094 0.000 1.039 622 S HN 0.437 nan 8.310 nan 0.000 0.485 623 E N 2.634 122.882 120.200 0.081 0.000 2.280 623 E HA 0.149 4.499 4.350 0.001 0.000 0.197 623 E C 1.484 178.115 176.600 0.051 0.000 0.913 623 E CA 1.001 57.440 56.400 0.066 0.000 0.995 623 E CB -0.352 29.387 29.700 0.065 0.000 0.991 623 E HN 0.663 nan 8.360 nan 0.000 0.484 624 T N 0.200 114.792 114.554 0.063 0.000 2.809 624 T HA -0.054 4.296 4.350 0.001 0.000 0.260 624 T C 1.931 176.661 174.700 0.050 0.000 1.039 624 T CA 1.317 63.445 62.100 0.047 0.000 1.141 624 T CB -0.399 68.524 68.868 0.092 0.000 0.869 624 T HN 0.113 nan 8.240 nan 0.000 0.437 625 S N 2.574 118.342 115.700 0.115 0.000 2.372 625 S HA -0.175 4.296 4.470 0.001 0.000 0.227 625 S C 2.426 177.077 174.600 0.085 0.000 1.044 625 S CA 1.731 60.017 58.200 0.144 0.000 1.050 625 S CB -0.652 62.636 63.200 0.146 0.000 0.901 625 S HN 0.684 nan 8.310 nan 0.000 0.447 626 S N 1.625 117.364 115.700 0.065 0.000 2.436 626 S HA -0.010 4.460 4.470 0.001 0.000 0.228 626 S C 1.799 176.397 174.600 -0.004 0.000 1.014 626 S CA 0.379 58.605 58.200 0.043 0.000 0.950 626 S CB -0.366 62.877 63.200 0.072 0.000 0.784 626 S HN 0.490 nan 8.310 nan 0.000 0.504 627 Q N 0.727 120.517 119.800 -0.017 0.000 2.119 627 Q HA 0.014 4.355 4.340 0.001 0.000 0.201 627 Q C 2.042 177.993 176.000 -0.083 0.000 0.972 627 Q CA 1.147 56.919 55.803 -0.052 0.000 0.847 627 Q CB -0.352 28.350 28.738 -0.059 0.000 0.903 627 Q HN 0.509 nan 8.270 nan 0.000 0.433 628 I N 0.362 120.880 120.570 -0.086 0.000 2.163 628 I HA -0.236 3.935 4.170 0.001 0.000 0.243 628 I C 1.771 177.789 176.117 -0.164 0.000 1.085 628 I CA 1.359 62.625 61.300 -0.055 0.000 1.347 628 I CB -0.840 37.154 38.000 -0.012 0.000 1.044 628 I HN 0.066 nan 8.210 nan 0.000 0.408 629 S N 0.234 115.773 115.700 -0.268 0.000 2.603 629 S HA -0.031 4.439 4.470 0.001 0.000 0.220 629 S C 0.771 175.140 174.600 -0.384 0.000 0.967 629 S CA -0.089 57.761 58.200 -0.584 0.000 0.920 629 S CB -0.759 62.299 63.200 -0.237 0.000 0.773 629 S HN 0.506 nan 8.310 nan 0.000 0.529 630 N N 1.136 119.709 118.700 -0.211 0.000 2.669 630 N HA -0.234 4.506 4.740 0.001 0.000 0.266 630 N C -0.435 175.018 175.510 -0.095 0.000 1.024 630 N CA 0.173 53.154 53.050 -0.116 0.000 0.766 630 N CB -0.765 37.677 38.487 -0.076 0.000 0.898 630 N HN 0.462 nan 8.380 nan 0.000 0.548 631 A N 1.004 123.795 122.820 -0.048 0.000 2.356 631 A HA 0.622 4.942 4.320 0.001 0.000 0.323 631 A C 0.471 178.101 177.584 0.076 0.000 1.119 631 A CA -0.081 51.967 52.037 0.017 0.000 0.790 631 A CB 1.139 20.170 19.000 0.052 0.000 1.273 631 A HN 0.463 nan 8.150 nan 0.000 0.452 632 T N 0.082 114.730 114.554 0.156 0.000 2.930 632 T HA 0.248 4.599 4.350 0.001 0.000 0.306 632 T C 0.081 174.894 174.700 0.188 0.000 1.045 632 T CA -0.327 61.886 62.100 0.188 0.000 1.134 632 T CB -0.419 68.628 68.868 0.299 0.000 0.961 632 T HN 0.597 nan 8.240 nan 0.000 0.545 633 N N 2.067 120.858 118.700 0.151 0.000 2.483 633 N HA 0.408 5.148 4.740 0.001 0.000 0.264 633 N C 1.531 177.158 175.510 0.195 0.000 1.197 633 N CA 0.328 53.465 53.050 0.146 0.000 0.927 633 N CB 0.237 38.790 38.487 0.109 0.000 1.065 633 N HN 1.022 nan 8.380 nan 0.000 0.461 634 G N 2.712 111.622 108.800 0.183 0.000 2.685 634 G HA2 -0.374 3.586 3.960 0.001 0.000 0.357 634 G HA3 -0.374 3.586 3.960 0.001 0.000 0.357 634 G C 0.777 175.849 174.900 0.287 0.000 1.272 634 G CA 1.225 46.445 45.100 0.199 0.000 0.972 634 G HN 0.809 nan 8.290 nan 0.000 0.550 635 I N -1.443 119.296 120.570 0.283 0.000 3.875 635 I HA 0.449 4.620 4.170 0.001 0.000 0.329 635 I C 0.087 176.559 176.117 0.592 0.000 1.295 635 I CA -0.046 61.489 61.300 0.392 0.000 1.129 635 I CB 0.302 38.370 38.000 0.112 0.000 1.008 635 I HN 0.038 nan 8.210 nan 0.000 0.413 636 E N 3.430 123.873 120.200 0.405 0.000 2.313 636 E HA 0.358 4.708 4.350 0.001 0.000 0.276 636 E C -2.336 174.360 176.600 0.159 0.000 1.031 636 E CA -2.321 54.230 56.400 0.252 0.000 0.857 636 E CB 0.458 30.227 29.700 0.116 0.000 1.040 636 E HN 0.093 nan 8.360 nan 0.000 0.408 637 P HA 0.171 nan 4.420 nan 0.000 0.271 637 P C -2.461 174.741 177.300 -0.163 0.000 1.216 637 P CA -1.321 61.613 63.100 -0.278 0.000 0.771 637 P CB -0.223 31.066 31.700 -0.684 0.000 0.864 638 P HA 0.149 nan 4.420 nan 0.000 0.268 638 P C 0.778 177.959 177.300 -0.199 0.000 1.204 638 P CA 0.083 63.115 63.100 -0.113 0.000 0.768 638 P CB 0.560 32.177 31.700 -0.140 0.000 0.842 639 R N 1.702 122.099 120.500 -0.171 0.000 2.096 639 R HA 0.110 4.450 4.340 0.001 0.000 0.235 639 R C 1.334 177.564 176.300 -0.116 0.000 1.127 639 R CA 1.305 57.305 56.100 -0.165 0.000 0.968 639 R CB -0.275 29.995 30.300 -0.050 0.000 0.861 639 R HN 0.633 nan 8.270 nan 0.000 0.440 640 G N -2.624 106.092 108.800 -0.139 0.000 2.721 640 G HA2 0.250 4.211 3.960 0.001 0.000 0.296 640 G HA3 0.250 4.211 3.960 0.001 0.000 0.296 640 G C -0.763 174.001 174.900 -0.227 0.000 1.383 640 G CA -0.720 44.260 45.100 -0.201 0.000 0.788 640 G HN -0.036 nan 8.290 nan 0.000 0.500 641 Y N -0.836 119.447 120.300 -0.027 0.000 2.314 641 Y HA 0.227 4.778 4.550 0.001 0.000 0.293 641 Y C 1.384 177.208 175.900 -0.128 0.000 1.129 641 Y CA 0.447 58.507 58.100 -0.067 0.000 1.201 641 Y CB 0.138 38.598 38.460 0.001 0.000 0.999 641 Y HN 0.101 nan 8.280 nan 0.000 0.541 642 V N 0.740 120.676 119.914 0.036 0.000 2.487 642 V HA 0.364 4.484 4.120 0.001 0.000 0.298 642 V C -0.197 175.891 176.094 -0.010 0.000 1.028 642 V CA -1.239 61.051 62.300 -0.017 0.000 0.860 642 V CB 1.532 33.331 31.823 -0.041 0.000 0.991 642 V HN 0.139 nan 8.190 nan 0.000 0.427 643 S N 5.056 120.749 115.700 -0.012 0.000 2.617 643 S HA 0.832 5.302 4.470 0.001 0.000 0.283 643 S C -0.809 173.792 174.600 0.002 0.000 1.189 643 S CA -0.594 57.604 58.200 -0.004 0.000 1.036 643 S CB 1.625 64.822 63.200 -0.005 0.000 1.014 643 S HN 0.412 nan 8.310 nan 0.000 0.522 644 I N 1.734 122.310 120.570 0.009 0.000 2.433 644 I HA 0.536 4.706 4.170 0.001 0.000 0.292 644 I C -0.418 175.707 176.117 0.014 0.000 1.001 644 I CA -0.337 60.970 61.300 0.012 0.000 1.119 644 I CB 2.016 40.024 38.000 0.013 0.000 1.289 644 I HN 0.642 nan 8.210 nan 0.000 0.438 645 K N 4.175 124.584 120.400 0.015 0.000 2.378 645 K HA 0.831 5.152 4.320 0.001 0.000 0.252 645 K C -0.733 175.878 176.600 0.018 0.000 0.931 645 K CA -0.510 55.785 56.287 0.014 0.000 0.794 645 K CB 2.055 34.557 32.500 0.003 0.000 1.181 645 K HN 0.610 nan 8.250 nan 0.000 0.425 646 A N 1.399 124.230 122.820 0.018 0.000 2.407 646 A HA 0.590 4.910 4.320 0.001 0.000 0.248 646 A C -0.206 177.389 177.584 0.018 0.000 1.082 646 A CA 0.103 52.152 52.037 0.020 0.000 0.785 646 A CB 0.191 19.203 19.000 0.020 0.000 1.020 646 A HN 0.740 nan 8.150 nan 0.000 0.489 647 S N 0.247 115.960 115.700 0.022 0.000 2.615 647 S HA 0.412 4.882 4.470 0.001 0.000 0.269 647 S C 0.294 174.909 174.600 0.025 0.000 1.161 647 S CA -0.094 58.117 58.200 0.019 0.000 0.817 647 S CB 1.065 64.272 63.200 0.013 0.000 1.131 647 S HN 0.968 nan 8.310 nan 0.000 0.467 648 K N -0.151 120.263 120.400 0.024 0.000 2.515 648 K HA 0.063 4.384 4.320 0.001 0.000 0.196 648 K C -0.092 176.531 176.600 0.038 0.000 1.038 648 K CA 1.261 57.565 56.287 0.028 0.000 0.967 648 K CB -0.337 32.177 32.500 0.024 0.000 0.780 648 K HN 0.492 nan 8.250 nan 0.000 0.483 649 D N 0.901 121.329 120.400 0.047 0.000 2.363 649 D HA 0.170 4.811 4.640 0.001 0.000 0.214 649 D C 0.604 176.953 176.300 0.080 0.000 1.093 649 D CA 0.757 54.798 54.000 0.069 0.000 0.837 649 D CB 0.991 41.844 40.800 0.088 0.000 0.948 649 D HN 0.470 nan 8.370 nan 0.000 0.507 650 G N 0.685 109.522 108.800 0.062 0.000 2.384 650 G HA2 -0.131 3.830 3.960 0.001 0.000 0.668 650 G HA3 -0.131 3.830 3.960 0.001 0.000 0.668 650 G C -0.818 174.118 174.900 0.060 0.000 1.280 650 G CA -1.050 44.084 45.100 0.057 0.000 0.992 650 G HN 0.104 nan 8.290 nan 0.000 0.512 651 I N 1.026 121.625 120.570 0.048 0.000 2.452 651 I HA 0.265 4.435 4.170 0.001 0.000 0.287 651 I C 0.630 176.796 176.117 0.082 0.000 1.079 651 I CA -0.142 61.185 61.300 0.045 0.000 1.387 651 I CB 0.505 38.518 38.000 0.021 0.000 1.404 651 I HN 0.298 nan 8.210 nan 0.000 0.522 652 L N 7.704 128.974 121.223 0.079 0.000 2.260 652 L HA 0.476 4.817 4.340 0.001 0.000 0.289 652 L C 0.194 177.104 176.870 0.067 0.000 1.057 652 L CA -0.419 54.485 54.840 0.108 0.000 0.811 652 L CB 0.327 42.406 42.059 0.033 0.000 1.184 652 L HN 0.565 nan 8.230 nan 0.000 0.429 653 R N 2.747 123.297 120.500 0.083 0.000 2.532 653 R HA 0.507 4.847 4.340 0.001 0.000 0.295 653 R C -0.783 175.534 176.300 0.028 0.000 0.968 653 R CA -0.625 55.495 56.100 0.034 0.000 0.916 653 R CB 2.210 32.515 30.300 0.009 0.000 1.124 653 R HN 0.540 nan 8.270 nan 0.000 0.463 654 Q N 2.214 122.011 119.800 -0.004 0.000 2.274 654 Q HA 0.316 4.656 4.340 0.001 0.000 0.268 654 Q C -1.411 174.569 176.000 -0.033 0.000 1.015 654 Q CA -0.689 55.099 55.803 -0.025 0.000 0.775 654 Q CB 2.110 30.830 28.738 -0.031 0.000 1.256 654 Q HN 0.385 nan 8.270 nan 0.000 0.442 655 V N 3.881 123.769 119.914 -0.042 0.000 2.546 655 V HA 0.243 4.364 4.120 0.001 0.000 0.284 655 V C 0.599 176.696 176.094 0.005 0.000 1.050 655 V CA -0.748 61.528 62.300 -0.041 0.000 0.981 655 V CB 0.920 32.705 31.823 -0.063 0.000 0.990 655 V HN 0.688 nan 8.190 nan 0.000 0.474 656 V N 3.583 123.511 119.914 0.023 0.000 2.814 656 V HA 0.165 4.286 4.120 0.001 0.000 0.307 656 V C -1.833 174.333 176.094 0.121 0.000 1.089 656 V CA -1.211 61.102 62.300 0.022 0.000 1.212 656 V CB -0.483 31.240 31.823 -0.167 0.000 0.912 656 V HN 0.810 nan 8.190 nan 0.000 0.497 657 P HA 0.051 nan 4.420 nan 0.000 0.265 657 P C 0.127 177.554 177.300 0.212 0.000 1.193 657 P CA 0.575 63.665 63.100 -0.017 0.000 0.765 657 P CB 0.216 31.609 31.700 -0.512 0.000 0.823 658 D N 1.235 121.779 120.400 0.239 0.000 2.701 658 D HA -0.274 4.366 4.640 0.001 0.000 0.235 658 D C 0.533 177.101 176.300 0.446 0.000 1.155 658 D CA 0.606 54.820 54.000 0.358 0.000 0.649 658 D CB -1.583 39.443 40.800 0.376 0.000 1.050 658 D HN 0.499 nan 8.370 nan 0.000 0.425 659 Y N 0.380 120.860 120.300 0.301 0.000 2.151 659 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 659 Y C 2.179 178.224 175.900 0.241 0.000 1.166 659 Y CA 2.715 60.973 58.100 0.264 0.000 1.163 659 Y CB -0.213 38.313 38.460 0.110 0.000 0.974 659 Y HN 0.323 nan 8.280 nan 0.000 0.511 660 E N -0.857 119.510 120.200 0.280 0.000 2.086 660 E HA -0.301 4.049 4.350 0.001 0.000 0.205 660 E C 1.739 178.268 176.600 -0.119 0.000 1.027 660 E CA 2.173 58.623 56.400 0.083 0.000 0.830 660 E CB -0.299 29.450 29.700 0.081 0.000 0.751 660 E HN 0.693 nan 8.360 nan 0.000 0.456 661 H N -1.723 117.366 119.070 0.032 0.000 2.648 661 H HA 0.159 4.715 4.556 0.001 0.000 0.265 661 H C 1.174 176.412 175.328 -0.151 0.000 0.961 661 H CA 0.396 56.411 56.048 -0.055 0.000 1.185 661 H CB 0.788 30.542 29.762 -0.014 0.000 1.449 661 H HN 0.204 nan 8.280 nan 0.000 0.523 662 L N 1.224 122.447 121.223 0.001 0.000 3.016 662 L HA 0.055 4.395 4.340 0.001 0.000 0.267 662 L C 2.226 179.105 176.870 0.015 0.000 1.182 662 L CA -0.051 54.766 54.840 -0.038 0.000 0.997 662 L CB 0.013 42.072 42.059 0.001 0.000 1.354 662 L HN 0.346 nan 8.230 nan 0.000 0.569 663 H N -0.574 118.422 119.070 -0.122 0.000 2.357 663 H HA -0.204 4.352 4.556 0.001 0.000 0.296 663 H C 0.658 176.055 175.328 0.115 0.000 1.108 663 H CA 1.718 57.619 56.048 -0.245 0.000 1.273 663 H CB -0.172 28.933 29.762 -1.094 0.000 1.367 663 H HN 0.313 nan 8.280 nan 0.000 0.498 664 D N 1.274 121.577 120.400 -0.161 0.000 2.224 664 D HA 0.047 4.687 4.640 0.001 0.000 0.205 664 D C 2.362 178.692 176.300 0.050 0.000 0.965 664 D CA 1.172 55.182 54.000 0.016 0.000 0.852 664 D CB -0.189 40.552 40.800 -0.099 0.000 0.947 664 D HN 0.567 nan 8.370 nan 0.000 0.494 665 A N 0.078 122.885 122.820 -0.022 0.000 1.968 665 A HA -0.098 4.222 4.320 0.001 0.000 0.217 665 A C 0.623 178.194 177.584 -0.021 0.000 1.169 665 A CA 0.376 52.370 52.037 -0.071 0.000 0.638 665 A CB -0.557 18.331 19.000 -0.187 0.000 0.812 665 A HN 0.106 nan 8.150 nan 0.000 0.446 666 Y N 0.281 120.661 120.300 0.133 0.000 2.578 666 Y HA 0.252 4.802 4.550 0.001 0.000 0.339 666 Y C 0.765 176.752 175.900 0.146 0.000 1.231 666 Y CA 0.482 58.690 58.100 0.181 0.000 1.461 666 Y CB 0.402 39.033 38.460 0.284 0.000 1.323 666 Y HN 0.372 nan 8.280 nan 0.000 0.590 667 E N 3.970 124.360 120.200 0.316 0.000 2.186 667 E HA 0.333 4.684 4.350 0.001 0.000 0.255 667 E C -1.354 175.296 176.600 0.084 0.000 0.881 667 E CA -0.470 56.044 56.400 0.191 0.000 0.752 667 E CB 0.436 30.253 29.700 0.195 0.000 1.176 667 E HN 0.595 nan 8.360 nan 0.000 0.421 668 L N 4.756 125.978 121.223 -0.002 0.000 2.461 668 L HA 0.005 4.345 4.340 0.001 0.000 0.272 668 L C 1.741 178.488 176.870 -0.204 0.000 1.197 668 L CA -0.300 54.455 54.840 -0.141 0.000 0.836 668 L CB 0.250 42.188 42.059 -0.201 0.000 1.105 668 L HN 0.747 nan 8.230 nan 0.000 0.477 669 L N 2.324 123.324 121.223 -0.371 0.000 2.030 669 L HA -0.238 4.103 4.340 0.001 0.000 0.222 669 L C 1.763 178.301 176.870 -0.554 0.000 1.082 669 L CA 2.266 56.731 54.840 -0.624 0.000 0.785 669 L CB -0.407 41.079 42.059 -0.955 0.000 0.895 669 L HN 0.588 nan 8.230 nan 0.000 0.439 670 W N -0.631 120.622 121.300 -0.079 0.000 3.047 670 W HA 0.043 4.704 4.660 0.002 0.000 0.250 670 W C 2.127 178.631 176.519 -0.026 0.000 1.314 670 W CA 0.128 57.446 57.345 -0.045 0.000 1.540 670 W CB -0.144 29.299 29.460 -0.028 0.000 1.127 670 W HN 0.218 nan 8.180 nan 0.000 0.679 671 E N 0.384 120.654 120.200 0.118 0.000 2.358 671 E HA -0.034 4.317 4.350 0.001 0.000 0.195 671 E C 0.862 177.508 176.600 0.076 0.000 1.010 671 E CA 0.302 56.760 56.400 0.096 0.000 0.856 671 E CB -0.085 29.661 29.700 0.076 0.000 0.795 671 E HN 0.232 nan 8.360 nan 0.000 0.504 672 M N 1.842 121.467 119.600 0.041 0.000 2.268 672 M HA 0.032 4.513 4.480 0.001 0.000 0.349 672 M C -1.772 174.569 176.300 0.069 0.000 1.485 672 M CA -1.298 54.027 55.300 0.041 0.000 1.094 672 M CB 0.338 32.925 32.600 -0.022 0.000 1.843 672 M HN -0.190 nan 8.290 nan 0.000 0.460 673 P HA -0.093 nan 4.420 nan 0.000 0.217 673 P C 0.501 177.843 177.300 0.070 0.000 1.148 673 P CA 0.864 63.998 63.100 0.057 0.000 0.828 673 P CB 0.300 32.030 31.700 0.050 0.000 0.783 674 G N -2.404 106.446 108.800 0.083 0.000 2.554 674 G HA2 0.120 4.081 3.960 0.001 0.000 0.306 674 G HA3 0.120 4.081 3.960 0.001 0.000 0.306 674 G C -0.298 174.644 174.900 0.070 0.000 1.320 674 G CA -0.440 44.722 45.100 0.103 0.000 0.800 674 G HN -0.188 nan 8.290 nan 0.000 0.481 675 N N 0.277 119.021 118.700 0.074 0.000 2.412 675 N HA 0.004 4.745 4.740 0.001 0.000 0.184 675 N C 0.897 176.521 175.510 0.191 0.000 1.101 675 N CA 0.342 53.443 53.050 0.085 0.000 0.881 675 N CB 0.585 39.097 38.487 0.043 0.000 0.969 675 N HN 0.500 nan 8.380 nan 0.000 0.459 676 D N 1.313 121.818 120.400 0.176 0.000 2.092 676 D HA -0.136 4.504 4.640 0.001 0.000 0.193 676 D C 1.966 178.355 176.300 0.148 0.000 0.994 676 D CA 1.376 55.484 54.000 0.179 0.000 0.828 676 D CB -0.206 40.690 40.800 0.161 0.000 0.963 676 D HN 0.277 nan 8.370 nan 0.000 0.450 677 G N 0.205 109.094 108.800 0.148 0.000 2.421 677 G HA2 -0.318 3.643 3.960 0.001 0.000 0.216 677 G HA3 -0.318 3.643 3.960 0.001 0.000 0.216 677 G C 1.561 176.561 174.900 0.166 0.000 1.171 677 G CA 0.834 46.010 45.100 0.126 0.000 0.775 677 G HN 0.308 nan 8.290 nan 0.000 0.543 678 Y N 1.135 121.520 120.300 0.141 0.000 2.128 678 Y HA -0.104 4.447 4.550 0.001 0.000 0.284 678 Y C 2.550 178.514 175.900 0.107 0.000 1.154 678 Y CA 1.636 59.853 58.100 0.196 0.000 1.149 678 Y CB -0.279 38.283 38.460 0.170 0.000 0.976 678 Y HN 0.108 nan 8.280 nan 0.000 0.505 679 L N 0.058 121.383 121.223 0.170 0.000 2.191 679 L HA -0.237 4.104 4.340 0.001 0.000 0.212 679 L C 2.471 179.291 176.870 -0.084 0.000 1.103 679 L CA 1.363 56.243 54.840 0.068 0.000 0.769 679 L CB -0.522 41.672 42.059 0.225 0.000 0.908 679 L HN 0.386 nan 8.230 nan 0.000 0.438 680 Q N -0.316 119.383 119.800 -0.169 0.000 2.123 680 Q HA -0.130 4.210 4.340 0.001 0.000 0.199 680 Q C 2.378 178.204 176.000 -0.291 0.000 0.966 680 Q CA 1.046 56.602 55.803 -0.412 0.000 0.845 680 Q CB 0.013 28.484 28.738 -0.445 0.000 0.907 680 Q HN 0.535 nan 8.270 nan 0.000 0.439 681 L N -0.034 121.065 121.223 -0.207 0.000 2.017 681 L HA -0.175 4.165 4.340 0.001 0.000 0.208 681 L C 2.376 179.048 176.870 -0.331 0.000 1.073 681 L CA 0.833 55.550 54.840 -0.204 0.000 0.745 681 L CB -0.593 41.401 42.059 -0.108 0.000 0.894 681 L HN 0.097 nan 8.230 nan 0.000 0.432 682 V N 0.439 120.119 119.914 -0.391 0.000 2.332 682 V HA -0.249 3.871 4.120 0.001 0.000 0.248 682 V C 2.647 178.591 176.094 -0.251 0.000 1.055 682 V CA 2.095 64.174 62.300 -0.370 0.000 1.038 682 V CB -1.351 30.270 31.823 -0.338 0.000 0.651 682 V HN 0.589 nan 8.190 nan 0.000 0.450 683 G N -0.231 108.457 108.800 -0.186 0.000 2.418 683 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 683 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 683 G C 1.576 176.377 174.900 -0.166 0.000 1.158 683 G CA 1.031 46.057 45.100 -0.124 0.000 0.771 683 G HN 0.497 nan 8.290 nan 0.000 0.545 684 I N 0.321 120.776 120.570 -0.193 0.000 2.226 684 I HA -0.182 3.989 4.170 0.001 0.000 0.245 684 I C 2.940 178.961 176.117 -0.161 0.000 1.100 684 I CA 1.013 62.230 61.300 -0.138 0.000 1.374 684 I CB -0.209 37.755 38.000 -0.061 0.000 1.057 684 I HN 0.174 nan 8.210 nan 0.000 0.413 685 M N -0.174 119.217 119.600 -0.348 0.000 2.080 685 M HA -0.280 4.200 4.480 0.001 0.000 0.260 685 M C 2.381 178.561 176.300 -0.199 0.000 1.068 685 M CA 1.847 56.823 55.300 -0.540 0.000 1.109 685 M CB -0.415 31.624 32.600 -0.935 0.000 1.342 685 M HN 0.124 nan 8.290 nan 0.000 0.405 686 Q N 0.838 120.539 119.800 -0.165 0.000 2.364 686 Q HA -0.155 4.186 4.340 0.001 0.000 0.209 686 Q C 1.701 177.722 176.000 0.035 0.000 0.977 686 Q CA 1.490 57.266 55.803 -0.045 0.000 0.885 686 Q CB -0.250 28.468 28.738 -0.032 0.000 0.941 686 Q HN 0.383 nan 8.270 nan 0.000 0.464 687 K N -1.059 119.249 120.400 -0.153 0.000 2.074 687 K HA -0.186 4.135 4.320 0.001 0.000 0.209 687 K C 0.963 177.331 176.600 -0.387 0.000 1.048 687 K CA 1.760 57.794 56.287 -0.422 0.000 0.926 687 K CB -0.117 31.808 32.500 -0.959 0.000 0.713 687 K HN 0.297 nan 8.250 nan 0.000 0.444 688 F N 0.529 120.477 119.950 -0.004 0.000 2.500 688 F HA 0.203 4.730 4.527 0.001 0.000 0.285 688 F C 0.752 176.614 175.800 0.104 0.000 1.088 688 F CA -0.598 57.435 58.000 0.055 0.000 1.432 688 F CB 0.099 39.157 39.000 0.096 0.000 1.131 688 F HN -0.167 nan 8.300 nan 0.000 0.582 689 I N 2.240 122.957 120.570 0.244 0.000 2.683 689 I HA -0.123 4.048 4.170 0.001 0.000 0.286 689 I C 1.087 177.243 176.117 0.065 0.000 1.175 689 I CA 0.255 61.655 61.300 0.165 0.000 1.429 689 I CB 0.037 38.100 38.000 0.106 0.000 1.371 689 I HN 0.236 nan 8.210 nan 0.000 0.569 690 D N 4.565 125.016 120.400 0.086 0.000 2.117 690 D HA -0.115 4.526 4.640 0.001 0.000 0.198 690 D C 1.353 177.658 176.300 0.009 0.000 0.982 690 D CA 1.382 55.403 54.000 0.035 0.000 0.828 690 D CB 0.504 41.364 40.800 0.100 0.000 0.967 690 D HN 0.620 nan 8.370 nan 0.000 0.464 691 Q N -0.115 119.712 119.800 0.046 0.000 3.073 691 Q HA 0.321 4.662 4.340 0.001 0.000 0.219 691 Q C 0.537 176.555 176.000 0.030 0.000 1.167 691 Q CA -0.346 55.487 55.803 0.050 0.000 0.334 691 Q CB 0.379 29.152 28.738 0.059 0.000 5.769 691 Q HN -0.068 nan 8.270 nan 0.000 0.319 692 S N -1.109 114.606 115.700 0.025 0.000 2.874 692 S HA 0.683 5.154 4.470 0.001 0.000 0.318 692 S C -1.333 173.271 174.600 0.006 0.000 1.109 692 S CA -0.746 57.466 58.200 0.020 0.000 0.878 692 S CB 0.821 64.036 63.200 0.025 0.000 1.307 692 S HN 0.351 nan 8.310 nan 0.000 0.592 693 I N 1.266 121.837 120.570 0.002 0.000 2.619 693 I HA 0.299 4.470 4.170 0.001 0.000 0.292 693 I C -0.452 175.668 176.117 0.005 0.000 1.100 693 I CA -0.508 60.786 61.300 -0.009 0.000 1.043 693 I CB 2.389 40.365 38.000 -0.041 0.000 1.239 693 I HN 0.410 nan 8.210 nan 0.000 0.420 694 S N 4.920 120.615 115.700 -0.008 0.000 4.120 694 S HA 0.299 4.769 4.470 0.001 0.000 0.215 694 S C 0.416 175.124 174.600 0.180 0.000 1.347 694 S CA -0.492 57.705 58.200 -0.004 0.000 0.889 694 S CB -0.404 62.730 63.200 -0.110 0.000 1.585 694 S HN 0.604 nan 8.310 nan 0.000 0.447 695 A N 3.432 126.373 122.820 0.202 0.000 2.409 695 A HA 0.330 4.650 4.320 0.001 0.000 0.267 695 A C 0.461 178.249 177.584 0.340 0.000 1.127 695 A CA -0.543 51.675 52.037 0.302 0.000 0.795 695 A CB 0.248 19.388 19.000 0.234 0.000 1.061 695 A HN 0.672 nan 8.150 nan 0.000 0.502 696 N N 0.569 119.470 118.700 0.335 0.000 2.492 696 N HA 0.521 5.262 4.740 0.001 0.000 0.289 696 N C -0.309 175.224 175.510 0.039 0.000 1.133 696 N CA -0.125 52.998 53.050 0.121 0.000 0.961 696 N CB 1.681 40.145 38.487 -0.039 0.000 1.186 696 N HN 0.764 nan 8.380 nan 0.000 0.493 697 T N -1.018 113.556 114.554 0.034 0.000 2.856 697 T HA 0.452 4.803 4.350 0.001 0.000 0.283 697 T C -0.735 173.873 174.700 -0.152 0.000 1.008 697 T CA -0.986 61.088 62.100 -0.043 0.000 0.997 697 T CB 1.425 70.385 68.868 0.152 0.000 0.992 697 T HN 0.344 nan 8.240 nan 0.000 0.454 698 N N 1.563 120.009 118.700 -0.423 0.000 2.238 698 N HA 0.446 5.187 4.740 0.001 0.000 0.302 698 N C -1.820 173.407 175.510 -0.472 0.000 1.072 698 N CA -0.496 52.386 53.050 -0.280 0.000 0.792 698 N CB 2.323 40.574 38.487 -0.393 0.000 1.425 698 N HN 0.666 nan 8.380 nan 0.000 0.478 699 Y N -0.405 120.148 120.300 0.422 0.000 2.396 699 Y HA 0.179 4.730 4.550 0.001 0.000 0.332 699 Y C -0.575 175.503 175.900 0.296 0.000 1.034 699 Y CA -0.977 57.342 58.100 0.365 0.000 1.057 699 Y CB 1.803 40.347 38.460 0.140 0.000 1.220 699 Y HN 0.356 nan 8.280 nan 0.000 0.440 700 D N 4.968 125.621 120.400 0.422 0.000 2.412 700 D HA 0.317 4.957 4.640 0.001 0.000 0.224 700 D C -2.087 174.377 176.300 0.273 0.000 1.093 700 D CA -2.525 51.510 54.000 0.057 0.000 0.850 700 D CB 1.974 42.761 40.800 -0.020 0.000 1.046 700 D HN 0.194 nan 8.370 nan 0.000 0.507 701 P HA -0.167 nan 4.420 nan 0.000 0.216 701 P C 1.256 178.696 177.300 0.232 0.000 1.150 701 P CA 1.173 64.392 63.100 0.198 0.000 0.843 701 P CB 0.127 31.854 31.700 0.044 0.000 0.787 702 S N -1.274 114.482 115.700 0.093 0.000 2.595 702 S HA -0.054 4.417 4.470 0.001 0.000 0.235 702 S C 1.691 176.310 174.600 0.033 0.000 0.974 702 S CA 0.472 58.700 58.200 0.048 0.000 0.942 702 S CB -0.797 62.394 63.200 -0.014 0.000 0.766 702 S HN 0.097 nan 8.310 nan 0.000 0.536 703 R N -0.493 120.031 120.500 0.040 0.000 2.317 703 R HA 0.352 4.693 4.340 0.001 0.000 0.208 703 R C -0.981 175.052 176.300 -0.444 0.000 0.914 703 R CA 0.063 56.035 56.100 -0.212 0.000 1.060 703 R CB 0.198 30.294 30.300 -0.341 0.000 1.015 703 R HN 0.413 nan 8.270 nan 0.000 0.498 704 F N 0.788 120.762 119.950 0.040 0.000 2.540 704 F HA 0.370 4.897 4.527 0.001 0.000 0.317 704 F C -1.962 173.852 175.800 0.023 0.000 1.104 704 F CA -3.204 54.819 58.000 0.039 0.000 0.913 704 F CB 1.374 40.400 39.000 0.043 0.000 1.170 704 F HN -0.191 nan 8.300 nan 0.000 0.450 705 P HA -0.027 nan 4.420 nan 0.000 0.262 705 P C 0.114 177.475 177.300 0.102 0.000 1.182 705 P CA 0.647 63.811 63.100 0.107 0.000 0.761 705 P CB 0.755 32.509 31.700 0.090 0.000 0.795 706 S N 1.878 117.619 115.700 0.068 0.000 3.561 706 S HA -0.177 4.293 4.470 0.001 0.000 0.318 706 S C 1.230 175.862 174.600 0.054 0.000 1.181 706 S CA 1.177 59.407 58.200 0.050 0.000 0.916 706 S CB -2.143 61.080 63.200 0.039 0.000 0.966 706 S HN 1.107 nan 8.310 nan 0.000 0.550 707 G N 0.919 109.767 108.800 0.080 0.000 2.244 707 G HA2 -0.377 3.584 3.960 0.001 0.000 0.274 707 G HA3 -0.377 3.584 3.960 0.001 0.000 0.274 707 G C -0.212 174.724 174.900 0.060 0.000 1.002 707 G CA 1.140 46.289 45.100 0.082 0.000 0.740 707 G HN 1.060 nan 8.290 nan 0.000 0.516 708 K N -0.396 120.036 120.400 0.053 0.000 2.274 708 K HA 0.687 5.008 4.320 0.001 0.000 0.262 708 K C -0.099 176.427 176.600 -0.124 0.000 0.961 708 K CA -1.222 55.049 56.287 -0.027 0.000 0.833 708 K CB 2.838 35.324 32.500 -0.024 0.000 1.102 708 K HN 0.015 nan 8.250 nan 0.000 0.436 709 V N 4.397 124.132 119.914 -0.298 0.000 2.485 709 V HA 0.084 4.205 4.120 0.001 0.000 0.287 709 V C -1.614 174.222 176.094 -0.429 0.000 1.022 709 V CA -1.118 60.792 62.300 -0.650 0.000 1.067 709 V CB -0.311 31.123 31.823 -0.648 0.000 0.967 709 V HN 0.822 nan 8.190 nan 0.000 0.479 710 P HA 0.191 nan 4.420 nan 0.000 0.280 710 P C 0.466 177.663 177.300 -0.171 0.000 1.244 710 P CA -0.596 62.402 63.100 -0.171 0.000 0.784 710 P CB 1.041 32.720 31.700 -0.035 0.000 0.913 711 M N 2.761 122.299 119.600 -0.104 0.000 2.213 711 M HA -0.193 4.288 4.480 0.001 0.000 0.263 711 M C 1.988 178.270 176.300 -0.031 0.000 1.062 711 M CA 1.853 57.110 55.300 -0.071 0.000 1.105 711 M CB -1.011 31.570 32.600 -0.031 0.000 1.385 711 M HN 0.303 nan 8.290 nan 0.000 0.417 712 Q N 0.063 119.856 119.800 -0.011 0.000 2.096 712 Q HA -0.275 4.066 4.340 0.001 0.000 0.208 712 Q C 2.121 178.145 176.000 0.040 0.000 0.993 712 Q CA 2.550 58.365 55.803 0.020 0.000 0.862 712 Q CB -0.420 28.340 28.738 0.036 0.000 0.915 712 Q HN 0.699 nan 8.270 nan 0.000 0.416 713 Q N -0.744 119.077 119.800 0.035 0.000 2.096 713 Q HA 0.034 4.375 4.340 0.001 0.000 0.197 713 Q C 1.976 178.020 176.000 0.074 0.000 0.964 713 Q CA 1.143 57.004 55.803 0.097 0.000 0.838 713 Q CB -0.224 28.611 28.738 0.162 0.000 0.906 713 Q HN 0.510 nan 8.270 nan 0.000 0.444 714 L N -0.122 121.055 121.223 -0.077 0.000 2.013 714 L HA -0.249 4.092 4.340 0.001 0.000 0.212 714 L C 2.264 179.185 176.870 0.085 0.000 1.073 714 L CA 1.309 56.106 54.840 -0.071 0.000 0.753 714 L CB -0.561 41.400 42.059 -0.162 0.000 0.890 714 L HN 0.301 nan 8.230 nan 0.000 0.432 715 L N -0.589 120.677 121.223 0.071 0.000 2.156 715 L HA -0.183 4.157 4.340 0.001 0.000 0.208 715 L C 2.666 179.593 176.870 0.094 0.000 1.095 715 L CA 1.033 55.929 54.840 0.093 0.000 0.770 715 L CB -0.410 41.674 42.059 0.041 0.000 0.914 715 L HN 0.242 nan 8.230 nan 0.000 0.439 716 K N 0.104 120.563 120.400 0.098 0.000 2.103 716 K HA -0.167 4.154 4.320 0.001 0.000 0.204 716 K C 1.537 178.222 176.600 0.141 0.000 1.052 716 K CA 1.414 57.761 56.287 0.100 0.000 0.945 716 K CB 0.102 32.665 32.500 0.106 0.000 0.722 716 K HN 0.219 nan 8.250 nan 0.000 0.443 717 D N 1.121 121.641 120.400 0.201 0.000 2.144 717 D HA -0.176 4.465 4.640 0.001 0.000 0.199 717 D C 1.864 178.298 176.300 0.225 0.000 0.984 717 D CA 0.671 54.816 54.000 0.242 0.000 0.834 717 D CB -0.207 40.793 40.800 0.333 0.000 0.955 717 D HN 0.136 nan 8.370 nan 0.000 0.465 718 L N 0.587 121.942 121.223 0.221 0.000 2.012 718 L HA -0.165 4.176 4.340 0.001 0.000 0.210 718 L C 2.178 179.135 176.870 0.146 0.000 1.073 718 L CA 1.510 56.491 54.840 0.236 0.000 0.748 718 L CB -0.478 41.757 42.059 0.293 0.000 0.891 718 L HN 0.004 nan 8.230 nan 0.000 0.431 719 L N -1.558 119.702 121.223 0.063 0.000 2.093 719 L HA -0.175 4.166 4.340 0.001 0.000 0.208 719 L C 2.346 179.210 176.870 -0.010 0.000 1.085 719 L CA 1.552 56.355 54.840 -0.062 0.000 0.755 719 L CB -1.121 40.892 42.059 -0.076 0.000 0.904 719 L HN 0.254 nan 8.230 nan 0.000 0.435 720 T N 0.149 114.737 114.554 0.056 0.000 2.684 720 T HA -0.239 4.111 4.350 0.001 0.000 0.267 720 T C 2.079 176.872 174.700 0.155 0.000 1.036 720 T CA 1.429 63.579 62.100 0.084 0.000 1.148 720 T CB -0.349 68.645 68.868 0.210 0.000 0.863 720 T HN 0.457 nan 8.240 nan 0.000 0.436 721 A N 0.810 123.750 122.820 0.201 0.000 1.869 721 A HA -0.204 4.116 4.320 0.001 0.000 0.218 721 A C 2.098 179.784 177.584 0.170 0.000 1.203 721 A CA 2.119 54.288 52.037 0.220 0.000 0.638 721 A CB -1.316 17.827 19.000 0.238 0.000 0.831 721 A HN 0.603 nan 8.150 nan 0.000 0.450 722 Y N 0.408 120.706 120.300 -0.004 0.000 2.165 722 Y HA -0.230 4.321 4.550 0.001 0.000 0.286 722 Y C 2.449 178.355 175.900 0.012 0.000 1.155 722 Y CA 2.450 60.535 58.100 -0.025 0.000 1.164 722 Y CB -0.170 38.028 38.460 -0.436 0.000 0.978 722 Y HN 0.309 nan 8.280 nan 0.000 0.513 723 K N -0.699 119.648 120.400 -0.089 0.000 2.097 723 K HA -0.169 4.152 4.320 0.001 0.000 0.206 723 K C 0.996 177.340 176.600 -0.425 0.000 1.049 723 K CA 1.455 57.556 56.287 -0.311 0.000 0.933 723 K CB -0.345 31.847 32.500 -0.513 0.000 0.717 723 K HN 0.323 nan 8.250 nan 0.000 0.442 724 F N 0.194 120.092 119.950 -0.088 0.000 2.692 724 F HA 0.242 4.769 4.527 0.000 0.000 0.303 724 F C 1.166 176.837 175.800 -0.215 0.000 1.114 724 F CA 0.355 58.284 58.000 -0.119 0.000 1.361 724 F CB 0.434 39.398 39.000 -0.060 0.000 1.063 724 F HN 0.208 nan 8.300 nan 0.000 0.550 725 G N 0.800 109.455 108.800 -0.241 0.000 2.198 725 G HA2 -0.246 3.714 3.960 0.001 0.000 0.257 725 G HA3 -0.246 3.714 3.960 0.001 0.000 0.257 725 G C -0.016 174.732 174.900 -0.253 0.000 1.042 725 G CA 0.013 44.739 45.100 -0.623 0.000 0.791 725 G HN 0.136 nan 8.290 nan 0.000 0.502 726 V N 0.402 120.315 119.914 -0.000 0.000 2.470 726 V HA 0.152 4.272 4.120 0.001 0.000 0.276 726 V C 1.735 177.942 176.094 0.188 0.000 1.040 726 V CA 0.840 63.197 62.300 0.094 0.000 1.008 726 V CB 1.287 33.193 31.823 0.138 0.000 0.990 726 V HN 0.497 nan 8.190 nan 0.000 0.477 727 K N 2.509 123.000 120.400 0.150 0.000 2.103 727 K HA 0.014 4.335 4.320 0.001 0.000 0.204 727 K C 0.688 177.400 176.600 0.187 0.000 1.052 727 K CA 1.261 57.658 56.287 0.183 0.000 0.945 727 K CB 0.082 32.659 32.500 0.128 0.000 0.722 727 K HN 0.866 nan 8.250 nan 0.000 0.443 728 T N -1.788 112.869 114.554 0.171 0.000 2.868 728 T HA 0.595 4.945 4.350 0.001 0.000 0.306 728 T C -0.916 173.910 174.700 0.209 0.000 1.224 728 T CA -1.023 61.192 62.100 0.191 0.000 1.012 728 T CB 1.664 70.620 68.868 0.147 0.000 1.221 728 T HN -0.095 nan 8.240 nan 0.000 0.499 729 L N 1.955 123.329 121.223 0.251 0.000 2.381 729 L HA 0.586 4.927 4.340 0.001 0.000 0.274 729 L C -1.063 175.989 176.870 0.303 0.000 0.988 729 L CA -1.122 53.883 54.840 0.275 0.000 0.824 729 L CB 1.845 44.081 42.059 0.294 0.000 1.263 729 L HN 0.701 nan 8.230 nan 0.000 0.410 733 N N 2.604 121.388 118.700 0.139 0.000 2.422 733 N HA 0.271 5.011 4.740 0.001 0.000 0.264 733 N C -1.038 174.679 175.510 0.344 0.000 1.063 733 N CA 0.113 53.282 53.050 0.198 0.000 0.959 733 N CB 1.658 40.232 38.487 0.144 0.000 1.087 733 N HN 0.395 nan 8.380 nan 0.000 0.483 734 T N 1.754 116.472 114.554 0.272 0.000 2.770 734 T HA 0.219 4.569 4.350 0.001 0.000 0.283 734 T C 0.599 175.358 174.700 0.098 0.000 0.988 734 T CA -0.653 61.579 62.100 0.220 0.000 0.957 734 T CB 1.508 70.450 68.868 0.123 0.000 0.930 734 T HN 0.294 nan 8.240 nan 0.000 0.443 735 R N 2.460 122.852 120.500 -0.180 0.000 2.522 735 R HA 0.042 4.383 4.340 0.001 0.000 0.284 735 R C -0.963 175.187 176.300 -0.250 0.000 1.032 735 R CA -0.092 55.700 56.100 -0.513 0.000 1.049 735 R CB 0.171 29.610 30.300 -1.435 0.000 0.956 735 R HN 0.512 nan 8.270 nan 0.000 0.422 736 D N 2.785 123.096 120.400 -0.147 0.000 2.316 736 D HA 0.483 5.124 4.640 0.001 0.000 0.245 736 D C 0.130 176.358 176.300 -0.120 0.000 1.171 736 D CA 0.753 54.698 54.000 -0.091 0.000 0.856 736 D CB 1.628 42.410 40.800 -0.029 0.000 1.090 736 D HN 0.767 nan 8.370 nan 0.000 0.476 737 G N 0.000 108.735 108.800 -0.108 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 45.041 45.100 -0.099 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925