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 3d46_1_D DATA FIRST_RESID 1 DATA SEQUENCE MENIMTLPKI KHVRAWFIGG ATAEKGAGGG DYHDQGGNHW IDDHIATPMS DATA SEQUENCE KYRDYEQSRQ SFGINVLGTL IVEVEAENRQ TGFAVSTAGE MGCFIVEKHL DATA SEQUENCE NRFIEGKCVS DIKLIHDQML GATMYYSGSG GLVMNTISCV DLALWDLFGK DATA SEQUENCE VVGLPVYKLL GGAVRDEIQF YATGARPDLA KEMGFIGGKM PTHWGPHDGD DATA SEQUENCE AGIRKDAAMV ADMREKCGPD FWLMLDCWMS QDVNYATKLA HACAPFNLKW DATA SEQUENCE IEECLPPQQY EGYRELKRNA PAGMMVTSGE HHGTLQSFRT LAETGIDIMQ DATA SEQUENCE PDVGWCGGLT TLVEIAALAK SRGQLVVPHG SSVYSHHAVI TFTNTPFSEF DATA SEQUENCE LMTSPDCSTL RPQFDPILLD EPVPVNGRIH KSVLDKPGFG VELNRDCHLK DATA SEQUENCE RPYSH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 E N 2.022 122.225 120.200 0.005 0.000 2.404 2 E HA 0.205 4.555 4.350 -0.000 0.000 0.261 2 E C -0.582 176.022 176.600 0.007 0.000 1.074 2 E CA 0.005 56.408 56.400 0.005 0.000 0.917 2 E CB 0.430 30.133 29.700 0.004 0.000 0.965 2 E HN 0.437 nan 8.360 nan 0.000 0.433 3 N N 1.769 120.473 118.700 0.007 0.000 2.492 3 N HA 0.070 4.809 4.740 -0.000 0.000 0.260 3 N C 0.517 176.033 175.510 0.010 0.000 1.215 3 N CA -0.049 53.005 53.050 0.008 0.000 0.923 3 N CB 0.508 38.999 38.487 0.008 0.000 1.092 3 N HN 0.401 nan 8.380 nan 0.000 0.448 4 I N -1.367 119.210 120.570 0.013 0.000 2.938 4 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 4 I C 1.008 177.135 176.117 0.016 0.000 1.182 4 I CA -0.641 60.668 61.300 0.016 0.000 1.388 4 I CB 0.493 38.506 38.000 0.023 0.000 1.390 4 I HN 0.392 nan 8.210 nan 0.000 0.600 5 M N 4.529 124.140 119.600 0.017 0.000 2.251 5 M HA 0.090 4.570 4.480 -0.000 0.000 0.343 5 M C 0.212 176.527 176.300 0.025 0.000 1.245 5 M CA 0.150 55.459 55.300 0.016 0.000 1.061 5 M CB 0.402 33.008 32.600 0.010 0.000 1.723 5 M HN 0.920 nan 8.290 nan 0.000 0.449 6 T N 4.444 119.011 114.554 0.022 0.000 2.869 6 T HA 0.539 4.889 4.350 -0.000 0.000 0.295 6 T C -0.354 174.368 174.700 0.035 0.000 0.987 6 T CA -0.826 61.289 62.100 0.025 0.000 1.109 6 T CB 0.659 69.538 68.868 0.018 0.000 0.932 6 T HN 0.683 nan 8.240 nan 0.000 0.518 7 L N 4.448 125.696 121.223 0.042 0.000 2.346 7 L HA 0.560 4.900 4.340 -0.000 0.000 0.276 7 L C -1.813 175.081 176.870 0.039 0.000 1.006 7 L CA -2.322 52.553 54.840 0.059 0.000 0.817 7 L CB 2.160 44.274 42.059 0.092 0.000 1.272 7 L HN 0.615 nan 8.230 nan 0.000 0.421 8 P HA 0.309 nan 4.420 nan 0.000 0.278 8 P C -1.193 176.117 177.300 0.016 0.000 1.258 8 P CA -0.676 62.439 63.100 0.025 0.000 0.811 8 P CB 1.271 32.989 31.700 0.029 0.000 1.063 9 K N 0.709 121.109 120.400 -0.000 0.000 2.090 9 K HA 0.449 4.769 4.320 -0.000 0.000 0.249 9 K C 0.397 176.988 176.600 -0.015 0.000 0.995 9 K CA -0.912 55.367 56.287 -0.012 0.000 0.914 9 K CB 0.687 33.175 32.500 -0.021 0.000 1.057 9 K HN 0.462 nan 8.250 nan 0.000 0.462 10 I N 2.069 122.628 120.570 -0.019 0.000 2.416 10 I HA 0.024 4.194 4.170 -0.000 0.000 0.288 10 I C 1.664 177.748 176.117 -0.055 0.000 1.051 10 I CA 0.189 61.480 61.300 -0.014 0.000 1.375 10 I CB 0.871 38.872 38.000 0.002 0.000 1.407 10 I HN 0.569 nan 8.210 nan 0.000 0.516 11 K N 5.112 125.450 120.400 -0.103 0.000 2.172 11 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 11 K C 0.201 176.561 176.600 -0.399 0.000 1.040 11 K CA 0.596 56.701 56.287 -0.302 0.000 0.974 11 K CB 0.451 32.698 32.500 -0.422 0.000 0.857 11 K HN 0.562 nan 8.250 nan 0.000 0.464 12 H N -0.967 118.139 119.070 0.059 0.000 2.928 12 H HA 0.371 4.927 4.556 -0.000 0.000 0.371 12 H C -1.538 173.849 175.328 0.098 0.000 1.186 12 H CA -0.840 55.251 56.048 0.072 0.000 1.134 12 H CB 1.896 31.682 29.762 0.041 0.000 1.824 12 H HN -0.065 nan 8.280 nan 0.000 0.554 13 V N 2.690 122.765 119.914 0.269 0.000 2.577 13 V HA 0.528 4.648 4.120 -0.000 0.000 0.303 13 V C -1.115 175.072 176.094 0.154 0.000 1.042 13 V CA -0.588 61.821 62.300 0.182 0.000 0.872 13 V CB 1.588 33.481 31.823 0.117 0.000 0.998 13 V HN 0.606 nan 8.190 nan 0.000 0.423 14 R N 4.286 124.809 120.500 0.038 0.000 2.750 14 R HA 0.890 5.230 4.340 -0.000 0.000 0.281 14 R C -0.821 175.287 176.300 -0.320 0.000 0.972 14 R CA -0.447 55.505 56.100 -0.246 0.000 0.912 14 R CB 2.067 32.042 30.300 -0.541 0.000 1.187 14 R HN 0.886 nan 8.270 nan 0.000 0.464 15 A N 2.107 124.651 122.820 -0.460 0.000 2.374 15 A HA 0.812 5.132 4.320 -0.000 0.000 0.305 15 A C -1.358 176.060 177.584 -0.277 0.000 1.053 15 A CA -0.683 51.244 52.037 -0.184 0.000 0.726 15 A CB 1.518 20.527 19.000 0.016 0.000 1.229 15 A HN 0.554 nan 8.150 nan 0.000 0.431 16 W N 0.819 122.208 121.300 0.149 0.000 3.017 16 W HA 0.698 5.358 4.660 -0.000 0.000 0.341 16 W C -0.955 175.685 176.519 0.201 0.000 1.180 16 W CA -0.503 56.909 57.345 0.112 0.000 1.097 16 W CB 2.047 31.512 29.460 0.008 0.000 1.468 16 W HN 0.801 nan 8.180 nan 0.000 0.584 17 F N 0.757 120.874 119.950 0.277 0.000 2.645 17 F HA 0.804 5.331 4.527 -0.000 0.000 0.310 17 F C -1.218 174.635 175.800 0.088 0.000 1.102 17 F CA -1.539 56.552 58.000 0.151 0.000 0.952 17 F CB 0.957 40.021 39.000 0.108 0.000 1.326 17 F HN 0.234 nan 8.300 nan 0.000 0.456 18 I N -0.116 120.579 120.570 0.209 0.000 2.994 18 I HA 0.982 5.152 4.170 -0.000 0.000 0.306 18 I C 0.163 176.417 176.117 0.229 0.000 1.195 18 I CA -0.824 60.514 61.300 0.064 0.000 1.001 18 I CB 1.765 39.775 38.000 0.017 0.000 1.244 18 I HN 1.456 nan 8.210 nan 0.000 0.437 19 G N 2.092 110.990 108.800 0.163 0.000 2.697 19 G HA2 0.365 4.325 3.960 -0.000 0.000 0.240 19 G HA3 0.365 4.325 3.960 -0.000 0.000 0.240 19 G C 0.304 175.324 174.900 0.200 0.000 1.346 19 G CA 0.071 45.262 45.100 0.152 0.000 0.887 19 G HN 2.866 nan 8.290 nan 0.000 0.569 20 G N -2.686 106.180 108.800 0.109 0.000 2.795 20 G HA2 0.386 4.346 3.960 -0.000 0.000 0.664 20 G HA3 0.386 4.346 3.960 -0.000 0.000 0.664 20 G C 1.218 176.144 174.900 0.043 0.000 1.381 20 G CA 1.238 46.372 45.100 0.056 0.000 0.853 20 G HN 2.490 nan 8.290 nan 0.000 0.545 21 A N -0.992 121.827 122.820 -0.002 0.000 2.070 21 A HA 0.253 4.573 4.320 -0.000 0.000 0.220 21 A C 2.328 179.922 177.584 0.016 0.000 1.159 21 A CA 2.993 55.029 52.037 -0.002 0.000 0.656 21 A CB -0.576 18.409 19.000 -0.024 0.000 0.800 21 A HN 2.365 nan 8.150 nan 0.000 0.453 22 T N -4.471 110.099 114.554 0.027 0.000 3.134 22 T HA 0.697 5.047 4.350 -0.000 0.000 0.260 22 T C 0.396 175.220 174.700 0.206 0.000 1.027 22 T CA 0.495 62.643 62.100 0.080 0.000 0.913 22 T CB 0.130 69.014 68.868 0.027 0.000 1.046 22 T HN 0.660 nan 8.240 nan 0.000 0.553 23 A N 0.930 123.871 122.820 0.201 0.000 3.502 23 A HA 0.734 5.054 4.320 -0.000 0.000 0.264 23 A C -1.093 176.545 177.584 0.089 0.000 1.099 23 A CA -0.850 51.285 52.037 0.164 0.000 0.690 23 A CB 0.548 19.697 19.000 0.248 0.000 1.449 23 A HN 0.327 nan 8.150 nan 0.000 0.700 24 E N 1.416 121.655 120.200 0.064 0.000 2.105 24 E HA 0.236 4.586 4.350 -0.000 0.000 0.285 24 E C -0.639 175.994 176.600 0.055 0.000 1.055 24 E CA -0.545 55.888 56.400 0.055 0.000 0.843 24 E CB 0.398 30.129 29.700 0.051 0.000 1.067 24 E HN 0.288 nan 8.360 nan 0.000 0.398 25 K N 2.488 122.915 120.400 0.044 0.000 2.448 25 K HA 0.082 4.402 4.320 -0.000 0.000 0.278 25 K C 0.749 177.368 176.600 0.033 0.000 1.009 25 K CA 0.902 57.209 56.287 0.034 0.000 0.995 25 K CB 0.902 33.414 32.500 0.020 0.000 0.917 25 K HN 0.905 nan 8.250 nan 0.000 0.481 26 G N 1.290 110.107 108.800 0.028 0.000 2.132 26 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.234 26 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.234 26 G C 0.861 175.787 174.900 0.043 0.000 0.989 26 G CA 0.393 45.510 45.100 0.029 0.000 0.676 26 G HN 0.659 nan 8.290 nan 0.000 0.522 27 A N -0.426 122.424 122.820 0.050 0.000 2.121 27 A HA 0.481 4.801 4.320 -0.000 0.000 0.218 27 A C 2.902 180.523 177.584 0.063 0.000 1.154 27 A CA 2.043 54.115 52.037 0.058 0.000 0.679 27 A CB -0.583 18.455 19.000 0.063 0.000 0.795 27 A HN 2.651 nan 8.150 nan 0.000 0.458 28 G N -1.336 107.499 108.800 0.058 0.000 2.561 28 G HA2 0.106 4.066 3.960 -0.000 0.000 0.289 28 G HA3 0.106 4.066 3.960 -0.000 0.000 0.289 28 G C 1.518 176.466 174.900 0.080 0.000 1.169 28 G CA 1.149 46.290 45.100 0.067 0.000 0.980 28 G HN 2.332 nan 8.290 nan 0.000 0.550 29 G N -1.387 107.480 108.800 0.112 0.000 2.556 29 G HA2 0.138 4.098 3.960 -0.000 0.000 0.283 29 G HA3 0.138 4.098 3.960 -0.000 0.000 0.283 29 G C 1.983 176.950 174.900 0.113 0.000 1.177 29 G CA 2.204 47.374 45.100 0.116 0.000 0.978 29 G HN 2.431 nan 8.290 nan 0.000 0.554 30 G N 0.029 108.791 108.800 -0.063 0.000 2.422 30 G HA2 0.118 4.078 3.960 -0.000 0.000 0.218 30 G HA3 0.118 4.078 3.960 -0.000 0.000 0.218 30 G C 0.725 175.549 174.900 -0.128 0.000 1.140 30 G CA 1.483 46.431 45.100 -0.253 0.000 0.775 30 G HN 0.859 nan 8.290 nan 0.000 0.545 31 D N -0.281 120.116 120.400 -0.006 0.000 2.422 31 D HA 0.180 4.820 4.640 -0.000 0.000 0.227 31 D C 0.895 177.220 176.300 0.041 0.000 1.190 31 D CA -0.795 53.248 54.000 0.070 0.000 0.905 31 D CB 0.169 41.035 40.800 0.111 0.000 1.034 31 D HN 0.296 nan 8.370 nan 0.000 0.507 32 Y N 1.743 122.120 120.300 0.127 0.000 2.228 32 Y HA -0.219 4.331 4.550 -0.000 0.000 0.285 32 Y C 1.739 177.457 175.900 -0.302 0.000 1.178 32 Y CA 1.440 59.473 58.100 -0.113 0.000 1.202 32 Y CB -0.484 37.840 38.460 -0.227 0.000 0.974 32 Y HN 0.632 nan 8.280 nan 0.000 0.527 33 H N -2.018 117.154 119.070 0.169 0.000 2.539 33 H HA 0.061 4.617 4.556 -0.000 0.000 0.269 33 H C 0.238 175.508 175.328 -0.098 0.000 0.980 33 H CA 0.213 56.232 56.048 -0.049 0.000 1.152 33 H CB 0.123 29.854 29.762 -0.052 0.000 1.407 33 H HN 0.052 nan 8.280 nan 0.000 0.564 34 D N 1.818 122.241 120.400 0.039 0.000 2.619 34 D HA 0.026 4.666 4.640 -0.000 0.000 0.224 34 D C -0.228 176.057 176.300 -0.024 0.000 1.133 34 D CA -0.153 53.855 54.000 0.013 0.000 1.017 34 D CB -0.059 40.768 40.800 0.046 0.000 1.077 34 D HN 0.215 nan 8.370 nan 0.000 0.503 35 Q N 0.042 119.790 119.800 -0.086 0.000 2.385 35 Q HA 0.612 4.952 4.340 -0.000 0.000 0.262 35 Q C 0.727 176.712 176.000 -0.026 0.000 1.050 35 Q CA -1.019 54.727 55.803 -0.094 0.000 0.903 35 Q CB 0.910 29.446 28.738 -0.337 0.000 1.325 35 Q HN 0.319 nan 8.270 nan 0.000 0.485 36 G N -0.798 108.025 108.800 0.039 0.000 2.531 36 G HA2 0.507 4.467 3.960 -0.000 0.000 0.253 36 G HA3 0.507 4.467 3.960 -0.000 0.000 0.253 36 G C -0.076 174.857 174.900 0.055 0.000 1.439 36 G CA -0.055 45.074 45.100 0.049 0.000 1.056 36 G HN 0.486 nan 8.290 nan 0.000 0.555 37 G N -1.931 106.902 108.800 0.056 0.000 2.547 37 G HA2 0.367 4.327 3.960 -0.000 0.000 0.291 37 G HA3 0.367 4.327 3.960 -0.000 0.000 0.291 37 G C 0.255 175.201 174.900 0.077 0.000 1.211 37 G CA -0.019 45.113 45.100 0.053 0.000 0.950 37 G HN 0.696 nan 8.290 nan 0.000 0.504 38 N N -0.514 118.226 118.700 0.067 0.000 2.725 38 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 38 N C -0.259 175.304 175.510 0.089 0.000 1.103 38 N CA 0.979 54.070 53.050 0.069 0.000 0.707 38 N CB -1.244 37.273 38.487 0.050 0.000 1.043 38 N HN 0.686 nan 8.380 nan 0.000 0.553 39 H N 0.503 119.579 119.070 0.010 0.000 2.467 39 H HA 0.081 4.637 4.556 -0.000 0.000 0.326 39 H C 1.480 176.786 175.328 -0.038 0.000 1.094 39 H CA -0.447 55.594 56.048 -0.012 0.000 1.253 39 H CB 0.424 30.127 29.762 -0.099 0.000 1.439 39 H HN 0.350 nan 8.280 nan 0.000 0.479 40 W N 5.453 126.824 121.300 0.117 0.000 2.350 40 W HA -0.144 4.516 4.660 -0.000 0.000 0.289 40 W C 0.970 177.629 176.519 0.233 0.000 1.215 40 W CA 0.440 57.877 57.345 0.153 0.000 1.236 40 W CB -0.854 28.656 29.460 0.084 0.000 1.130 40 W HN 0.547 nan 8.180 nan 0.000 0.541 41 I N 1.560 121.484 120.570 -1.076 0.000 3.083 41 I HA -0.202 3.968 4.170 -0.000 0.000 0.273 41 I C 0.904 176.706 176.117 -0.524 0.000 1.297 41 I CA 1.820 62.339 61.300 -1.301 0.000 1.452 41 I CB -0.401 36.809 38.000 -1.318 0.000 1.078 41 I HN -0.122 nan 8.210 nan 0.000 0.484 42 D N -0.464 119.779 120.400 -0.262 0.000 2.540 42 D HA 0.013 4.653 4.640 -0.000 0.000 0.229 42 D C -0.118 176.156 176.300 -0.044 0.000 1.250 42 D CA -0.172 53.725 54.000 -0.172 0.000 0.817 42 D CB 0.156 40.865 40.800 -0.151 0.000 1.060 42 D HN 0.047 nan 8.370 nan 0.000 0.508 43 D N 0.004 120.433 120.400 0.049 0.000 2.483 43 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 43 D C -0.334 176.115 176.300 0.248 0.000 1.173 43 D CA -0.094 53.992 54.000 0.143 0.000 0.964 43 D CB -0.650 40.264 40.800 0.189 0.000 1.046 43 D HN 0.265 nan 8.370 nan 0.000 0.517 44 H N 2.503 121.595 119.070 0.036 0.000 2.604 44 H HA -0.181 4.375 4.556 -0.000 0.000 0.321 44 H C -0.422 174.943 175.328 0.061 0.000 1.132 44 H CA -0.039 56.011 56.048 0.004 0.000 1.129 44 H CB -0.853 28.848 29.762 -0.102 0.000 1.526 44 H HN 0.317 nan 8.280 nan 0.000 0.415 45 I N 1.186 121.784 120.570 0.047 0.000 2.441 45 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 45 I C 1.350 177.447 176.117 -0.035 0.000 1.049 45 I CA 0.317 61.588 61.300 -0.048 0.000 1.381 45 I CB 0.641 38.559 38.000 -0.137 0.000 1.409 45 I HN 0.495 nan 8.210 nan 0.000 0.523 46 A N 5.858 128.679 122.820 0.002 0.000 2.488 46 A HA 0.506 4.826 4.320 -0.000 0.000 0.249 46 A C 0.575 178.265 177.584 0.177 0.000 1.083 46 A CA 0.126 52.214 52.037 0.085 0.000 0.768 46 A CB -0.010 19.062 19.000 0.119 0.000 1.017 46 A HN 0.904 nan 8.150 nan 0.000 0.496 47 T N -0.676 113.991 114.554 0.187 0.000 2.731 47 T HA 0.612 4.962 4.350 -0.000 0.000 0.300 47 T C -2.706 172.059 174.700 0.110 0.000 1.283 47 T CA -1.140 61.128 62.100 0.281 0.000 1.005 47 T CB 1.265 70.334 68.868 0.335 0.000 1.420 47 T HN 0.119 nan 8.240 nan 0.000 0.503 48 P HA 0.115 nan 4.420 nan 0.000 0.228 48 P C 1.149 178.369 177.300 -0.134 0.000 1.151 48 P CA 0.739 63.788 63.100 -0.085 0.000 0.770 48 P CB 0.041 31.651 31.700 -0.150 0.000 0.786 49 M N -1.855 117.647 119.600 -0.163 0.000 2.414 49 M HA 0.090 4.570 4.480 -0.000 0.000 0.251 49 M C 1.582 177.905 176.300 0.038 0.000 1.116 49 M CA 0.765 56.011 55.300 -0.090 0.000 1.056 49 M CB -0.948 31.413 32.600 -0.399 0.000 1.388 49 M HN -0.038 nan 8.290 nan 0.000 0.487 50 S N 1.131 116.830 115.700 -0.001 0.000 2.547 50 S HA -0.125 4.344 4.470 -0.000 0.000 0.235 50 S C 1.563 176.024 174.600 -0.233 0.000 0.980 50 S CA 0.695 58.894 58.200 -0.002 0.000 0.941 50 S CB -0.666 62.564 63.200 0.051 0.000 0.763 50 S HN 0.642 nan 8.310 nan 0.000 0.532 51 K N -0.412 119.655 120.400 -0.555 0.000 2.432 51 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 51 K C -0.553 175.682 176.600 -0.608 0.000 1.038 51 K CA 0.237 55.871 56.287 -1.089 0.000 0.986 51 K CB -0.318 31.624 32.500 -0.929 0.000 0.782 51 K HN 0.397 nan 8.250 nan 0.000 0.485 52 Y N 1.999 122.212 120.300 -0.146 0.000 2.327 52 Y HA 0.240 4.790 4.550 -0.000 0.000 0.336 52 Y C 1.502 177.374 175.900 -0.046 0.000 1.035 52 Y CA -1.354 56.727 58.100 -0.032 0.000 1.165 52 Y CB 1.397 39.939 38.460 0.136 0.000 1.181 52 Y HN -0.074 nan 8.280 nan 0.000 0.494 53 R N 1.199 121.754 120.500 0.092 0.000 2.113 53 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 53 R C 0.670 176.932 176.300 -0.064 0.000 1.142 53 R CA 2.320 58.433 56.100 0.022 0.000 0.953 53 R CB 0.045 30.358 30.300 0.022 0.000 0.860 53 R HN 0.760 nan 8.270 nan 0.000 0.438 54 D N -0.983 119.293 120.400 -0.207 0.000 2.348 54 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 54 D C 0.294 176.213 176.300 -0.635 0.000 0.970 54 D CA 1.062 54.772 54.000 -0.483 0.000 0.889 54 D CB 0.126 40.472 40.800 -0.757 0.000 0.912 54 D HN 0.411 nan 8.370 nan 0.000 0.524 55 Y N -0.244 120.108 120.300 0.087 0.000 2.682 55 Y HA 0.224 4.774 4.550 -0.000 0.000 0.251 55 Y C 1.747 177.691 175.900 0.074 0.000 1.172 55 Y CA -0.710 57.462 58.100 0.119 0.000 1.186 55 Y CB 0.172 38.748 38.460 0.194 0.000 1.216 55 Y HN -0.099 nan 8.280 nan 0.000 0.540 56 E N 0.548 120.784 120.200 0.060 0.000 2.086 56 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 56 E C 1.929 178.368 176.600 -0.268 0.000 0.975 56 E CA 0.993 57.339 56.400 -0.090 0.000 0.813 56 E CB 0.333 29.983 29.700 -0.084 0.000 0.768 56 E HN 0.317 nan 8.360 nan 0.000 0.457 57 Q N 0.760 120.475 119.800 -0.141 0.000 2.123 57 Q HA 0.024 4.364 4.340 -0.000 0.000 0.199 57 Q C 0.134 176.103 176.000 -0.052 0.000 0.966 57 Q CA 0.871 56.618 55.803 -0.092 0.000 0.845 57 Q CB 0.265 29.015 28.738 0.019 0.000 0.907 57 Q HN 0.082 nan 8.270 nan 0.000 0.439 58 S N -0.787 114.898 115.700 -0.026 0.000 2.594 58 S HA 0.432 4.902 4.470 -0.000 0.000 0.296 58 S C 0.093 174.634 174.600 -0.098 0.000 1.124 58 S CA -0.777 57.389 58.200 -0.056 0.000 1.011 58 S CB 0.906 64.077 63.200 -0.048 0.000 1.016 58 S HN 0.365 nan 8.310 nan 0.000 0.485 59 R N 2.560 122.903 120.500 -0.261 0.000 2.148 59 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 59 R C 1.915 177.648 176.300 -0.945 0.000 1.088 59 R CA 1.125 56.824 56.100 -0.667 0.000 0.985 59 R CB -0.115 29.782 30.300 -0.670 0.000 0.880 59 R HN 0.722 nan 8.270 nan 0.000 0.451 60 Q N 0.317 119.827 119.800 -0.484 0.000 2.170 60 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 60 Q C 2.218 178.059 176.000 -0.264 0.000 0.976 60 Q CA 1.926 57.516 55.803 -0.356 0.000 0.858 60 Q CB -0.050 28.572 28.738 -0.194 0.000 0.907 60 Q HN 0.355 nan 8.270 nan 0.000 0.433 61 S N 0.785 116.399 115.700 -0.143 0.000 2.399 61 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 61 S C 1.608 176.316 174.600 0.180 0.000 1.022 61 S CA 1.191 59.431 58.200 0.066 0.000 0.983 61 S CB -0.538 62.762 63.200 0.167 0.000 0.803 61 S HN 0.563 nan 8.310 nan 0.000 0.480 62 F N 0.751 120.729 119.950 0.045 0.000 2.765 62 F HA 0.625 5.152 4.527 -0.000 0.000 0.302 62 F C 1.272 176.973 175.800 -0.163 0.000 1.111 62 F CA -0.626 57.234 58.000 -0.233 0.000 1.359 62 F CB -0.618 38.140 39.000 -0.403 0.000 1.097 62 F HN 0.322 nan 8.300 nan 0.000 0.577 63 G N 1.670 110.324 108.800 -0.242 0.000 2.167 63 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.194 63 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.194 63 G C 0.659 175.447 174.900 -0.187 0.000 1.027 63 G CA 0.143 45.158 45.100 -0.142 0.000 0.717 63 G HN 0.578 nan 8.290 nan 0.000 0.501 64 I N 0.476 120.740 120.570 -0.510 0.000 3.176 64 I HA -0.043 4.127 4.170 -0.000 0.000 0.275 64 I C 1.684 177.726 176.117 -0.125 0.000 1.298 64 I CA 1.542 62.644 61.300 -0.329 0.000 1.445 64 I CB 0.062 37.666 38.000 -0.659 0.000 1.075 64 I HN 0.395 nan 8.210 nan 0.000 0.482 65 N N 0.020 118.646 118.700 -0.124 0.000 2.204 65 N HA -0.042 4.698 4.740 -0.000 0.000 0.219 65 N C 1.231 176.731 175.510 -0.017 0.000 1.151 65 N CA 0.647 53.675 53.050 -0.035 0.000 0.867 65 N CB -0.504 37.951 38.487 -0.054 0.000 1.043 65 N HN 0.282 nan 8.380 nan 0.000 0.516 66 V N -1.736 118.162 119.914 -0.027 0.000 2.667 66 V HA 0.014 4.134 4.120 -0.000 0.000 0.252 66 V C 1.880 177.959 176.094 -0.026 0.000 1.065 66 V CA 0.870 63.155 62.300 -0.025 0.000 1.083 66 V CB -0.724 31.080 31.823 -0.031 0.000 0.692 66 V HN 0.155 nan 8.190 nan 0.000 0.468 67 L N 0.960 122.176 121.223 -0.012 0.000 2.068 67 L HA 0.442 4.782 4.340 -0.000 0.000 0.204 67 L C 1.759 178.631 176.870 0.004 0.000 1.076 67 L CA 1.029 55.856 54.840 -0.021 0.000 0.753 67 L CB -1.234 40.818 42.059 -0.011 0.000 0.910 67 L HN 0.661 nan 8.230 nan 0.000 0.439 68 G N -0.007 108.823 108.800 0.050 0.000 2.642 68 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.231 68 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.231 68 G C -0.224 174.740 174.900 0.107 0.000 1.338 68 G CA -0.308 44.847 45.100 0.092 0.000 0.883 68 G HN 0.123 nan 8.290 nan 0.000 0.570 69 T N 0.782 115.422 114.554 0.143 0.000 2.799 69 T HA 0.525 4.875 4.350 -0.000 0.000 0.286 69 T C 0.107 174.919 174.700 0.187 0.000 0.973 69 T CA 0.030 62.206 62.100 0.127 0.000 1.035 69 T CB 1.533 70.456 68.868 0.092 0.000 0.932 69 T HN 1.061 nan 8.240 nan 0.000 0.469 70 L N 4.529 125.839 121.223 0.146 0.000 2.309 70 L HA 0.720 5.060 4.340 -0.000 0.000 0.282 70 L C -1.303 175.674 176.870 0.179 0.000 1.036 70 L CA -0.407 54.544 54.840 0.186 0.000 0.806 70 L CB 0.588 42.731 42.059 0.139 0.000 1.220 70 L HN 0.544 nan 8.230 nan 0.000 0.429 71 I N 5.426 126.156 120.570 0.265 0.000 2.436 71 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 71 I C -0.850 175.494 176.117 0.378 0.000 1.010 71 I CA -0.398 61.089 61.300 0.312 0.000 1.098 71 I CB 2.059 40.260 38.000 0.335 0.000 1.266 71 I HN 0.277 nan 8.210 nan 0.000 0.434 72 V N 5.616 125.729 119.914 0.332 0.000 2.448 72 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 72 V C -0.346 175.983 176.094 0.392 0.000 1.025 72 V CA -0.625 61.855 62.300 0.300 0.000 0.859 72 V CB 1.830 33.763 31.823 0.183 0.000 0.988 72 V HN 0.733 nan 8.190 nan 0.000 0.431 73 E N 3.525 123.977 120.200 0.420 0.000 2.210 73 E HA 0.661 5.011 4.350 -0.000 0.000 0.266 73 E C -1.808 174.976 176.600 0.308 0.000 0.883 73 E CA -0.497 56.167 56.400 0.440 0.000 0.761 73 E CB 2.288 32.333 29.700 0.574 0.000 1.156 73 E HN 0.462 nan 8.360 nan 0.000 0.412 74 V N 4.030 124.105 119.914 0.268 0.000 2.459 74 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 74 V C -0.269 175.945 176.094 0.200 0.000 1.029 74 V CA -0.642 61.781 62.300 0.205 0.000 0.874 74 V CB 1.572 33.491 31.823 0.160 0.000 0.985 74 V HN 0.709 nan 8.190 nan 0.000 0.438 75 E N 3.005 123.318 120.200 0.188 0.000 2.176 75 E HA 0.713 5.063 4.350 -0.000 0.000 0.267 75 E C -0.359 176.301 176.600 0.100 0.000 0.893 75 E CA -0.563 55.938 56.400 0.168 0.000 0.761 75 E CB 1.876 31.711 29.700 0.225 0.000 1.133 75 E HN 0.852 nan 8.360 nan 0.000 0.409 76 A N 3.525 126.395 122.820 0.082 0.000 2.257 76 A HA 0.183 4.503 4.320 -0.000 0.000 0.289 76 A C 0.883 178.478 177.584 0.019 0.000 1.095 76 A CA -0.373 51.690 52.037 0.043 0.000 0.836 76 A CB 0.516 19.550 19.000 0.056 0.000 1.111 76 A HN 0.824 nan 8.150 nan 0.000 0.497 77 E N 0.854 121.050 120.200 -0.006 0.000 2.265 77 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 77 E C 0.753 177.360 176.600 0.011 0.000 0.996 77 E CA 1.300 57.691 56.400 -0.015 0.000 0.832 77 E CB -0.137 29.550 29.700 -0.020 0.000 0.756 77 E HN 0.753 nan 8.360 nan 0.000 0.491 78 N N 0.058 118.773 118.700 0.025 0.000 2.314 78 N HA -0.027 4.713 4.740 -0.000 0.000 0.200 78 N C 0.053 175.588 175.510 0.042 0.000 1.135 78 N CA 0.039 53.108 53.050 0.031 0.000 0.835 78 N CB 0.338 38.843 38.487 0.031 0.000 0.989 78 N HN -0.166 nan 8.380 nan 0.000 0.478 79 R N -1.587 118.945 120.500 0.053 0.000 3.922 79 R HA -0.181 4.159 4.340 -0.000 0.000 0.447 79 R C -0.445 175.902 176.300 0.079 0.000 1.035 79 R CA 1.105 57.248 56.100 0.070 0.000 1.289 79 R CB -2.398 27.939 30.300 0.061 0.000 1.906 79 R HN 0.543 nan 8.270 nan 0.000 0.540 80 Q N 0.564 120.409 119.800 0.075 0.000 2.394 80 Q HA 0.397 4.737 4.340 -0.000 0.000 0.248 80 Q C 0.478 176.546 176.000 0.113 0.000 0.992 80 Q CA 0.891 56.745 55.803 0.085 0.000 0.888 80 Q CB 1.130 29.912 28.738 0.074 0.000 1.257 80 Q HN 0.357 nan 8.270 nan 0.000 0.462 81 T N -2.080 112.555 114.554 0.135 0.000 2.916 81 T HA 0.833 5.183 4.350 -0.000 0.000 0.292 81 T C -0.279 174.554 174.700 0.222 0.000 1.064 81 T CA -0.770 61.437 62.100 0.179 0.000 1.011 81 T CB 2.016 70.996 68.868 0.188 0.000 1.152 81 T HN 0.643 nan 8.240 nan 0.000 0.510 82 G N 0.447 109.410 108.800 0.272 0.000 2.659 82 G HA2 0.761 4.721 3.960 -0.000 0.000 0.296 82 G HA3 0.761 4.721 3.960 -0.000 0.000 0.296 82 G C -1.497 173.656 174.900 0.421 0.000 1.369 82 G CA -1.091 44.197 45.100 0.313 0.000 0.937 82 G HN 1.142 nan 8.290 nan 0.000 0.485 83 F N -0.627 119.458 119.950 0.224 0.000 2.779 83 F HA 0.923 5.450 4.527 -0.000 0.000 0.316 83 F C -0.576 175.348 175.800 0.206 0.000 1.164 83 F CA -0.983 57.139 58.000 0.205 0.000 0.924 83 F CB 1.404 40.513 39.000 0.181 0.000 1.348 83 F HN 1.156 nan 8.300 nan 0.000 0.467 84 A N 0.739 123.552 122.820 -0.012 0.000 2.601 84 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 84 A C -1.610 175.935 177.584 -0.064 0.000 1.075 84 A CA -0.238 51.621 52.037 -0.297 0.000 0.671 84 A CB 1.257 19.976 19.000 -0.468 0.000 1.277 84 A HN 2.190 nan 8.150 nan 0.000 0.417 85 V N -1.954 117.798 119.914 -0.271 0.000 3.040 85 V HA 1.019 5.139 4.120 -0.000 0.000 0.312 85 V C -0.261 175.641 176.094 -0.320 0.000 1.115 85 V CA 0.164 62.357 62.300 -0.178 0.000 0.998 85 V CB 1.310 33.033 31.823 -0.166 0.000 1.042 85 V HN 1.969 nan 8.190 nan 0.000 0.433 86 S N 0.805 116.419 115.700 -0.143 0.000 2.755 86 S HA 0.654 5.124 4.470 -0.000 0.000 0.286 86 S C -0.776 173.881 174.600 0.094 0.000 1.207 86 S CA -0.029 58.165 58.200 -0.011 0.000 0.892 86 S CB 1.824 65.075 63.200 0.085 0.000 1.240 86 S HN 1.122 nan 8.310 nan 0.000 0.525 87 T N 1.790 116.487 114.554 0.239 0.000 2.770 87 T HA 0.750 5.100 4.350 -0.000 0.000 0.297 87 T C 0.409 175.144 174.700 0.058 0.000 0.997 87 T CA 0.308 62.500 62.100 0.153 0.000 0.949 87 T CB 0.945 69.928 68.868 0.193 0.000 0.941 87 T HN 1.043 nan 8.240 nan 0.000 0.457 88 A N 2.408 125.259 122.820 0.052 0.000 2.031 88 A HA 0.597 4.917 4.320 -0.000 0.000 0.159 88 A C 1.249 178.840 177.584 0.011 0.000 2.021 88 A CA 0.635 52.687 52.037 0.024 0.000 1.557 88 A CB -0.746 18.282 19.000 0.047 0.000 1.617 88 A HN 1.547 nan 8.150 nan 0.000 0.297 89 G N 0.455 109.285 108.800 0.051 0.000 2.596 89 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.295 89 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.295 89 G C 0.831 175.662 174.900 -0.116 0.000 1.240 89 G CA 1.454 46.554 45.100 -0.001 0.000 0.985 89 G HN 0.990 nan 8.290 nan 0.000 0.555 90 E N -0.337 119.521 120.200 -0.570 0.000 2.070 90 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 90 E C 2.841 179.452 176.600 0.018 0.000 1.004 90 E CA 1.906 58.025 56.400 -0.470 0.000 0.805 90 E CB -0.195 29.065 29.700 -0.733 0.000 0.744 90 E HN 0.557 nan 8.360 nan 0.000 0.451 91 M N -0.355 119.228 119.600 -0.029 0.000 2.159 91 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 91 M C 2.323 178.686 176.300 0.104 0.000 1.063 91 M CA 1.425 56.745 55.300 0.034 0.000 1.110 91 M CB -0.230 32.342 32.600 -0.047 0.000 1.374 91 M HN 0.271 nan 8.290 nan 0.000 0.411 92 G N -0.483 108.368 108.800 0.085 0.000 2.422 92 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 92 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 92 G C 1.472 176.461 174.900 0.148 0.000 1.146 92 G CA 0.951 46.118 45.100 0.111 0.000 0.769 92 G HN 0.471 nan 8.290 nan 0.000 0.547 93 C N -0.287 119.134 119.300 0.202 0.000 2.425 93 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 93 C C 2.392 177.476 174.990 0.156 0.000 1.280 93 C CA 0.602 59.767 59.018 0.245 0.000 1.744 93 C CB -1.223 26.758 27.740 0.403 0.000 1.989 93 C HN 0.491 nan 8.230 nan 0.000 0.491 94 F N 1.770 121.651 119.950 -0.115 0.000 2.069 94 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 94 F C 2.201 177.843 175.800 -0.264 0.000 1.113 94 F CA 1.730 59.367 58.000 -0.604 0.000 1.214 94 F CB -0.272 38.385 39.000 -0.572 0.000 0.978 94 F HN 0.041 nan 8.300 nan 0.000 0.474 95 I N 0.129 120.842 120.570 0.238 0.000 2.163 95 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 95 I C 2.457 178.611 176.117 0.061 0.000 1.085 95 I CA 1.244 62.680 61.300 0.228 0.000 1.347 95 I CB -1.621 36.523 38.000 0.240 0.000 1.044 95 I HN 0.096 nan 8.210 nan 0.000 0.408 96 V N 0.834 120.757 119.914 0.015 0.000 2.270 96 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 96 V C 2.456 178.456 176.094 -0.156 0.000 1.043 96 V CA 1.592 63.871 62.300 -0.034 0.000 1.014 96 V CB -0.586 31.242 31.823 0.009 0.000 0.645 96 V HN 0.396 nan 8.190 nan 0.000 0.447 97 E N -0.044 120.040 120.200 -0.193 0.000 2.216 97 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 97 E C 1.758 178.104 176.600 -0.424 0.000 0.988 97 E CA 0.640 56.861 56.400 -0.299 0.000 0.834 97 E CB -0.022 29.637 29.700 -0.067 0.000 0.772 97 E HN 0.456 nan 8.360 nan 0.000 0.479 98 K N -0.744 119.365 120.400 -0.484 0.000 2.358 98 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 98 K C 1.099 177.534 176.600 -0.275 0.000 1.030 98 K CA 0.247 56.214 56.287 -0.533 0.000 1.097 98 K CB 0.832 32.662 32.500 -1.117 0.000 0.862 98 K HN 0.322 nan 8.250 nan 0.000 0.534 99 H N -0.824 118.086 119.070 -0.267 0.000 1.985 99 H HA 0.225 4.781 4.556 -0.000 0.000 0.159 99 H C 1.573 176.841 175.328 -0.100 0.000 1.010 99 H CA -0.058 55.926 56.048 -0.105 0.000 1.075 99 H CB 0.405 30.218 29.762 0.086 0.000 0.963 99 H HN -0.148 nan 8.280 nan 0.000 0.330 100 L N 2.551 123.752 121.223 -0.036 0.000 2.191 100 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 100 L C 2.231 179.054 176.870 -0.078 0.000 1.103 100 L CA 1.172 56.004 54.840 -0.013 0.000 0.769 100 L CB -0.632 41.434 42.059 0.012 0.000 0.908 100 L HN 0.535 nan 8.230 nan 0.000 0.438 101 N N 2.234 120.819 118.700 -0.192 0.000 2.192 101 N HA -0.283 4.457 4.740 -0.000 0.000 0.188 101 N C 1.793 177.169 175.510 -0.224 0.000 1.013 101 N CA 1.819 54.732 53.050 -0.228 0.000 0.863 101 N CB -0.553 37.632 38.487 -0.505 0.000 0.990 101 N HN 0.553 nan 8.380 nan 0.000 0.430 102 R N -0.385 119.886 120.500 -0.381 0.000 2.193 102 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 102 R C 0.969 176.992 176.300 -0.462 0.000 1.110 102 R CA 1.134 56.958 56.100 -0.461 0.000 0.988 102 R CB -0.570 29.362 30.300 -0.613 0.000 0.871 102 R HN 0.177 nan 8.270 nan 0.000 0.458 103 F N 0.519 120.445 119.950 -0.040 0.000 2.698 103 F HA 0.309 4.836 4.527 -0.000 0.000 0.295 103 F C 1.869 177.646 175.800 -0.039 0.000 1.124 103 F CA -0.196 57.779 58.000 -0.040 0.000 1.426 103 F CB 0.011 38.975 39.000 -0.061 0.000 1.120 103 F HN -0.113 nan 8.300 nan 0.000 0.583 104 I N -0.406 120.217 120.570 0.089 0.000 2.364 104 I HA -0.044 4.125 4.170 -0.000 0.000 0.241 104 I C 0.596 176.728 176.117 0.025 0.000 1.082 104 I CA 0.424 61.756 61.300 0.054 0.000 1.401 104 I CB -0.328 37.700 38.000 0.048 0.000 1.126 104 I HN -0.114 nan 8.210 nan 0.000 0.429 105 E N 1.257 121.465 120.200 0.014 0.000 2.376 105 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 105 E C 0.819 177.414 176.600 -0.008 0.000 1.009 105 E CA 0.712 57.118 56.400 0.010 0.000 0.902 105 E CB 0.498 30.219 29.700 0.036 0.000 0.972 105 E HN 0.498 nan 8.360 nan 0.000 0.439 106 G N 2.639 111.428 108.800 -0.019 0.000 2.234 106 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.235 106 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.235 106 G C 0.297 175.187 174.900 -0.017 0.000 0.997 106 G CA -0.269 44.819 45.100 -0.021 0.000 0.623 106 G HN 0.344 nan 8.290 nan 0.000 0.514 107 K N 0.281 120.672 120.400 -0.015 0.000 2.120 107 K HA 0.497 4.817 4.320 -0.000 0.000 0.245 107 K C 0.777 177.355 176.600 -0.038 0.000 1.024 107 K CA -0.168 56.105 56.287 -0.024 0.000 0.906 107 K CB 1.068 33.553 32.500 -0.025 0.000 1.051 107 K HN 0.385 nan 8.250 nan 0.000 0.491 108 C N 1.170 120.437 119.300 -0.055 0.000 2.604 108 C HA 0.094 4.554 4.460 -0.000 0.000 0.396 108 C C 2.316 177.247 174.990 -0.098 0.000 1.282 108 C CA -0.542 58.439 59.018 -0.061 0.000 2.292 108 C CB -0.240 27.458 27.740 -0.070 0.000 2.633 108 C HN 0.610 nan 8.230 nan 0.000 0.620 109 V N 3.137 123.011 119.914 -0.066 0.000 2.867 109 V HA -0.042 4.078 4.120 -0.000 0.000 0.260 109 V C 1.828 177.716 176.094 -0.344 0.000 1.099 109 V CA 2.257 64.507 62.300 -0.083 0.000 1.122 109 V CB -1.349 30.521 31.823 0.079 0.000 0.708 109 V HN 1.017 nan 8.190 nan 0.000 0.490 110 S N -0.852 114.585 115.700 -0.439 0.000 2.548 110 S HA 0.045 4.515 4.470 -0.000 0.000 0.215 110 S C 0.870 175.117 174.600 -0.589 0.000 0.976 110 S CA 0.296 57.975 58.200 -0.867 0.000 0.908 110 S CB -0.399 62.456 63.200 -0.574 0.000 0.781 110 S HN 0.555 nan 8.310 nan 0.000 0.519 111 D N 1.953 122.137 120.400 -0.359 0.000 2.841 111 D HA 0.278 4.918 4.640 -0.000 0.000 0.244 111 D C 1.143 177.287 176.300 -0.260 0.000 1.228 111 D CA -0.023 53.830 54.000 -0.246 0.000 0.872 111 D CB -0.256 40.460 40.800 -0.140 0.000 1.082 111 D HN 0.481 nan 8.370 nan 0.000 0.457 112 I N 0.114 120.433 120.570 -0.418 0.000 2.142 112 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 112 I C 2.263 178.263 176.117 -0.196 0.000 1.078 112 I CA 1.072 62.123 61.300 -0.415 0.000 1.343 112 I CB -0.077 37.404 38.000 -0.865 0.000 1.046 112 I HN -0.040 nan 8.210 nan 0.000 0.405 113 K N 0.361 120.668 120.400 -0.155 0.000 2.097 113 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 113 K C 2.078 178.689 176.600 0.017 0.000 1.049 113 K CA 1.184 57.464 56.287 -0.012 0.000 0.933 113 K CB -0.266 32.233 32.500 -0.001 0.000 0.717 113 K HN 0.148 nan 8.250 nan 0.000 0.442 114 L N 1.541 122.740 121.223 -0.040 0.000 2.027 114 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 114 L C 1.895 178.745 176.870 -0.032 0.000 1.074 114 L CA 1.552 56.372 54.840 -0.034 0.000 0.745 114 L CB -0.287 41.744 42.059 -0.046 0.000 0.898 114 L HN 0.110 nan 8.230 nan 0.000 0.433 115 I N -0.931 119.622 120.570 -0.028 0.000 2.208 115 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 115 I C 2.526 178.628 176.117 -0.026 0.000 1.097 115 I CA 1.563 62.855 61.300 -0.013 0.000 1.363 115 I CB -0.523 37.478 38.000 0.002 0.000 1.051 115 I HN 0.451 nan 8.210 nan 0.000 0.413 116 H N 0.859 119.885 119.070 -0.073 0.000 2.319 116 H HA -0.257 4.299 4.556 -0.000 0.000 0.299 116 H C 1.881 177.157 175.328 -0.088 0.000 1.092 116 H CA 2.373 58.389 56.048 -0.053 0.000 1.302 116 H CB -0.183 29.579 29.762 0.000 0.000 1.373 116 H HN 0.300 nan 8.280 nan 0.000 0.497 117 D N -0.688 119.679 120.400 -0.056 0.000 2.144 117 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 117 D C 2.055 178.212 176.300 -0.239 0.000 0.984 117 D CA 1.223 55.146 54.000 -0.129 0.000 0.834 117 D CB 0.017 40.786 40.800 -0.050 0.000 0.955 117 D HN 0.548 nan 8.370 nan 0.000 0.465 118 Q N -0.746 118.880 119.800 -0.289 0.000 2.119 118 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 118 Q C 2.299 177.835 176.000 -0.774 0.000 0.972 118 Q CA 0.862 56.344 55.803 -0.536 0.000 0.847 118 Q CB -0.061 28.335 28.738 -0.570 0.000 0.903 118 Q HN 0.446 nan 8.270 nan 0.000 0.433 119 M N 0.255 119.522 119.600 -0.555 0.000 2.132 119 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 119 M C 2.139 178.200 176.300 -0.398 0.000 1.065 119 M CA 1.370 56.392 55.300 -0.462 0.000 1.122 119 M CB -0.266 32.172 32.600 -0.270 0.000 1.365 119 M HN 0.224 nan 8.290 nan 0.000 0.411 120 L N -0.547 120.448 121.223 -0.380 0.000 2.017 120 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 120 L C 2.711 179.446 176.870 -0.225 0.000 1.073 120 L CA 1.391 56.053 54.840 -0.297 0.000 0.745 120 L CB -1.216 40.671 42.059 -0.286 0.000 0.894 120 L HN 0.395 nan 8.230 nan 0.000 0.432 121 G N -0.620 108.044 108.800 -0.226 0.000 2.408 121 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 121 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 121 G C 1.699 176.546 174.900 -0.087 0.000 1.150 121 G CA 0.719 45.732 45.100 -0.144 0.000 0.776 121 G HN 0.460 nan 8.290 nan 0.000 0.542 122 A N 0.411 123.129 122.820 -0.170 0.000 2.067 122 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 122 A C 2.391 180.117 177.584 0.236 0.000 1.156 122 A CA 2.185 54.258 52.037 0.060 0.000 0.683 122 A CB -0.413 18.562 19.000 -0.041 0.000 0.808 122 A HN 0.502 nan 8.150 nan 0.000 0.455 123 T N -4.183 110.324 114.554 -0.080 0.000 3.054 123 T HA 0.199 4.549 4.350 -0.000 0.000 0.255 123 T C 1.544 175.961 174.700 -0.473 0.000 1.035 123 T CA 0.570 62.423 62.100 -0.411 0.000 0.941 123 T CB -0.255 68.229 68.868 -0.640 0.000 1.026 123 T HN 0.280 nan 8.240 nan 0.000 0.533 124 M N 1.591 121.096 119.600 -0.159 0.000 2.195 124 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 124 M C 1.928 178.209 176.300 -0.033 0.000 1.066 124 M CA 1.883 57.127 55.300 -0.093 0.000 1.089 124 M CB -0.320 32.275 32.600 -0.008 0.000 1.377 124 M HN 0.626 nan 8.290 nan 0.000 0.411 125 Y N -0.693 119.614 120.300 0.012 0.000 2.571 125 Y HA -0.132 4.418 4.550 -0.000 0.000 0.294 125 Y C 1.106 177.104 175.900 0.164 0.000 1.141 125 Y CA 0.881 59.033 58.100 0.088 0.000 1.308 125 Y CB -0.976 37.561 38.460 0.127 0.000 1.002 125 Y HN 0.508 nan 8.280 nan 0.000 0.551 126 Y N -1.693 118.329 120.300 -0.462 0.000 2.729 126 Y HA 0.369 4.919 4.550 -0.000 0.000 0.266 126 Y C 1.578 177.352 175.900 -0.208 0.000 1.064 126 Y CA -0.261 57.632 58.100 -0.346 0.000 1.251 126 Y CB -0.563 37.584 38.460 -0.522 0.000 1.379 126 Y HN 0.064 nan 8.280 nan 0.000 0.569 127 S N 0.101 115.532 115.700 -0.447 0.000 2.461 127 S HA 0.224 4.693 4.470 -0.000 0.000 0.228 127 S C 1.929 176.447 174.600 -0.136 0.000 1.005 127 S CA 0.697 58.701 58.200 -0.327 0.000 0.942 127 S CB -0.752 62.239 63.200 -0.349 0.000 0.776 127 S HN 1.281 nan 8.310 nan 0.000 0.514 128 G N 1.778 110.523 108.800 -0.092 0.000 2.187 128 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 128 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 128 G C 0.599 175.476 174.900 -0.037 0.000 1.000 128 G CA 0.963 46.035 45.100 -0.048 0.000 0.718 128 G HN 1.955 nan 8.290 nan 0.000 0.519 129 S N -4.275 111.400 115.700 -0.043 0.000 3.358 129 S HA 0.198 4.668 4.470 -0.000 0.000 0.309 129 S C 1.705 176.317 174.600 0.020 0.000 1.247 129 S CA 1.794 59.991 58.200 -0.006 0.000 0.961 129 S CB -1.569 61.644 63.200 0.022 0.000 1.074 129 S HN 2.881 nan 8.310 nan 0.000 0.625 130 G N -1.457 107.341 108.800 -0.003 0.000 2.349 130 G HA2 0.714 4.674 3.960 -0.000 0.000 0.294 130 G HA3 0.714 4.674 3.960 -0.000 0.000 0.294 130 G C 0.320 175.209 174.900 -0.019 0.000 1.380 130 G CA 0.857 45.968 45.100 0.019 0.000 0.811 130 G HN 2.280 nan 8.290 nan 0.000 0.519 131 G N -1.016 107.771 108.800 -0.021 0.000 2.598 131 G HA2 0.110 4.070 3.960 -0.000 0.000 0.244 131 G HA3 0.110 4.070 3.960 -0.000 0.000 0.244 131 G C 1.197 176.050 174.900 -0.078 0.000 1.302 131 G CA 0.545 45.595 45.100 -0.083 0.000 0.903 131 G HN 2.173 nan 8.290 nan 0.000 0.575 132 L N 0.220 121.389 121.223 -0.089 0.000 2.040 132 L HA -0.215 4.125 4.340 -0.000 0.000 0.228 132 L C 3.132 179.993 176.870 -0.015 0.000 1.092 132 L CA 3.601 58.407 54.840 -0.057 0.000 0.805 132 L CB -1.040 40.993 42.059 -0.043 0.000 0.905 132 L HN 0.985 nan 8.230 nan 0.000 0.443 133 V N -1.045 118.861 119.914 -0.014 0.000 2.343 133 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 133 V C 2.471 178.547 176.094 -0.029 0.000 1.051 133 V CA 2.061 64.349 62.300 -0.020 0.000 1.036 133 V CB -0.665 31.094 31.823 -0.107 0.000 0.654 133 V HN 0.594 nan 8.190 nan 0.000 0.451 134 M N 0.911 120.501 119.600 -0.017 0.000 2.229 134 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 134 M C 1.787 178.141 176.300 0.090 0.000 1.063 134 M CA 1.512 56.830 55.300 0.030 0.000 1.114 134 M CB -0.905 31.734 32.600 0.066 0.000 1.387 134 M HN 0.323 nan 8.290 nan 0.000 0.420 135 N N -0.701 118.052 118.700 0.088 0.000 2.166 135 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 135 N C 1.564 177.145 175.510 0.119 0.000 1.019 135 N CA 2.007 55.148 53.050 0.151 0.000 0.856 135 N CB -0.866 37.657 38.487 0.061 0.000 0.993 135 N HN 0.406 nan 8.380 nan 0.000 0.426 136 T N 1.459 116.058 114.554 0.074 0.000 2.737 136 T HA 0.052 4.402 4.350 -0.000 0.000 0.265 136 T C 2.085 176.823 174.700 0.063 0.000 1.038 136 T CA 0.615 62.757 62.100 0.070 0.000 1.144 136 T CB -0.197 68.711 68.868 0.067 0.000 0.866 136 T HN 0.162 nan 8.240 nan 0.000 0.434 137 I N 1.274 121.870 120.570 0.043 0.000 2.208 137 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 137 I C 2.688 178.867 176.117 0.102 0.000 1.097 137 I CA 0.999 62.320 61.300 0.036 0.000 1.363 137 I CB -0.396 37.589 38.000 -0.025 0.000 1.051 137 I HN 0.192 nan 8.210 nan 0.000 0.413 138 S N -0.159 115.615 115.700 0.123 0.000 2.370 138 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 138 S C 2.173 176.812 174.600 0.065 0.000 1.033 138 S CA 1.517 59.797 58.200 0.135 0.000 1.011 138 S CB -0.684 62.607 63.200 0.151 0.000 0.852 138 S HN 0.583 nan 8.310 nan 0.000 0.457 139 C N 1.404 120.728 119.300 0.040 0.000 2.429 139 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 139 C C 2.627 177.631 174.990 0.023 0.000 1.262 139 C CA 0.739 59.744 59.018 -0.022 0.000 1.733 139 C CB -1.311 26.438 27.740 0.015 0.000 2.010 139 C HN 0.411 nan 8.230 nan 0.000 0.483 140 V N 0.650 120.606 119.914 0.071 0.000 2.307 140 V HA -0.194 3.925 4.120 -0.000 0.000 0.245 140 V C 2.173 178.337 176.094 0.117 0.000 1.045 140 V CA 2.603 64.958 62.300 0.092 0.000 1.024 140 V CB -0.868 31.004 31.823 0.082 0.000 0.651 140 V HN 0.595 nan 8.190 nan 0.000 0.449 141 D N -0.025 120.469 120.400 0.155 0.000 2.133 141 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 141 D C 2.036 178.523 176.300 0.311 0.000 0.997 141 D CA 1.537 55.672 54.000 0.225 0.000 0.840 141 D CB -0.154 40.818 40.800 0.286 0.000 0.947 141 D HN 0.384 nan 8.370 nan 0.000 0.452 142 L N -0.096 121.252 121.223 0.207 0.000 2.093 142 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 142 L C 2.605 179.652 176.870 0.295 0.000 1.085 142 L CA 1.021 55.989 54.840 0.213 0.000 0.755 142 L CB -0.521 41.352 42.059 -0.309 0.000 0.904 142 L HN 0.100 nan 8.230 nan 0.000 0.435 143 A N 0.104 123.016 122.820 0.152 0.000 1.933 143 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 143 A C 2.253 179.966 177.584 0.216 0.000 1.175 143 A CA 1.322 53.468 52.037 0.182 0.000 0.628 143 A CB -0.584 18.518 19.000 0.170 0.000 0.814 143 A HN 0.351 nan 8.150 nan 0.000 0.444 144 L N -2.793 118.531 121.223 0.168 0.000 2.056 144 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 144 L C 2.583 179.501 176.870 0.080 0.000 1.078 144 L CA 1.268 56.145 54.840 0.063 0.000 0.749 144 L CB -0.507 41.510 42.059 -0.069 0.000 0.901 144 L HN 0.597 nan 8.230 nan 0.000 0.433 145 W N 0.587 122.000 121.300 0.189 0.000 2.363 145 W HA -0.221 4.439 4.660 -0.000 0.000 0.296 145 W C 2.371 178.937 176.519 0.077 0.000 1.212 145 W CA 1.299 58.748 57.345 0.172 0.000 1.260 145 W CB -0.213 29.368 29.460 0.203 0.000 1.131 145 W HN 0.226 nan 8.180 nan 0.000 0.530 146 D N 0.025 120.663 120.400 0.397 0.000 2.097 146 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 146 D C 2.041 178.442 176.300 0.168 0.000 0.989 146 D CA 1.365 55.506 54.000 0.235 0.000 0.827 146 D CB -0.353 40.660 40.800 0.356 0.000 0.966 146 D HN -0.013 nan 8.370 nan 0.000 0.456 147 L N -0.324 121.020 121.223 0.202 0.000 2.017 147 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 147 L C 2.033 179.010 176.870 0.177 0.000 1.073 147 L CA 1.599 56.544 54.840 0.175 0.000 0.745 147 L CB -1.084 41.074 42.059 0.164 0.000 0.894 147 L HN 0.094 nan 8.230 nan 0.000 0.432 148 F N 0.691 120.640 119.950 -0.001 0.000 2.095 148 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 148 F C 2.229 178.026 175.800 -0.005 0.000 1.104 148 F CA 1.572 59.552 58.000 -0.034 0.000 1.232 148 F CB -1.144 37.783 39.000 -0.121 0.000 0.987 148 F HN 0.151 nan 8.300 nan 0.000 0.475 149 G N -0.036 108.734 108.800 -0.051 0.000 2.422 149 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 149 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 149 G C 1.790 176.604 174.900 -0.143 0.000 1.146 149 G CA 0.775 45.760 45.100 -0.191 0.000 0.769 149 G HN 0.367 nan 8.290 nan 0.000 0.547 150 K N -0.113 120.260 120.400 -0.045 0.000 2.155 150 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 150 K C 2.518 179.108 176.600 -0.017 0.000 1.052 150 K CA 0.640 56.922 56.287 -0.008 0.000 0.948 150 K CB -0.096 32.439 32.500 0.057 0.000 0.728 150 K HN 0.212 nan 8.250 nan 0.000 0.448 151 V N 0.876 120.780 119.914 -0.017 0.000 2.323 151 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 151 V C 2.161 178.211 176.094 -0.074 0.000 1.041 151 V CA 1.392 63.686 62.300 -0.010 0.000 1.025 151 V CB -0.113 31.741 31.823 0.052 0.000 0.656 151 V HN 0.058 nan 8.190 nan 0.000 0.451 152 V N 0.138 119.938 119.914 -0.190 0.000 2.548 152 V HA 0.129 4.249 4.120 -0.000 0.000 0.249 152 V C 1.761 177.764 176.094 -0.152 0.000 1.055 152 V CA 1.563 63.726 62.300 -0.229 0.000 1.065 152 V CB -0.703 30.847 31.823 -0.455 0.000 0.681 152 V HN 0.799 nan 8.190 nan 0.000 0.462 153 G N 0.067 108.787 108.800 -0.132 0.000 2.140 153 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.211 153 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.211 153 G C -0.313 174.526 174.900 -0.102 0.000 1.013 153 G CA 0.118 45.166 45.100 -0.088 0.000 0.705 153 G HN 0.399 nan 8.290 nan 0.000 0.508 154 L N -0.593 120.543 121.223 -0.144 0.000 2.371 154 L HA 0.565 4.905 4.340 -0.000 0.000 0.262 154 L C -2.381 174.392 176.870 -0.161 0.000 1.006 154 L CA -2.639 52.108 54.840 -0.155 0.000 0.818 154 L CB 2.678 44.624 42.059 -0.188 0.000 1.354 154 L HN -0.139 nan 8.230 nan 0.000 0.415 155 P HA 0.078 nan 4.420 nan 0.000 0.275 155 P C 0.763 177.966 177.300 -0.161 0.000 1.228 155 P CA -0.368 62.683 63.100 -0.081 0.000 0.786 155 P CB 0.972 32.692 31.700 0.034 0.000 0.927 156 V N 2.316 122.087 119.914 -0.240 0.000 2.392 156 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 156 V C 2.061 178.137 176.094 -0.031 0.000 1.059 156 V CA 2.163 64.308 62.300 -0.258 0.000 1.051 156 V CB -1.651 29.745 31.823 -0.710 0.000 0.658 156 V HN 0.661 nan 8.190 nan 0.000 0.455 157 Y N 1.065 121.466 120.300 0.168 0.000 2.333 157 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 157 Y C 2.179 178.064 175.900 -0.026 0.000 1.144 157 Y CA 1.494 59.605 58.100 0.018 0.000 1.228 157 Y CB -0.592 37.833 38.460 -0.060 0.000 0.985 157 Y HN 0.140 nan 8.280 nan 0.000 0.542 158 K N 0.585 120.639 120.400 -0.576 0.000 2.116 158 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 158 K C 2.001 178.493 176.600 -0.181 0.000 1.052 158 K CA 1.135 57.151 56.287 -0.452 0.000 0.952 158 K CB -0.151 32.025 32.500 -0.540 0.000 0.729 158 K HN 0.369 nan 8.250 nan 0.000 0.446 159 L N 1.039 122.181 121.223 -0.136 0.000 2.131 159 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 159 L C 2.060 178.948 176.870 0.030 0.000 1.092 159 L CA 1.012 55.839 54.840 -0.022 0.000 0.759 159 L CB -0.343 41.749 42.059 0.055 0.000 0.903 159 L HN 0.174 nan 8.230 nan 0.000 0.435 160 L N -0.618 120.594 121.223 -0.019 0.000 2.552 160 L HA 0.036 4.376 4.340 -0.000 0.000 0.227 160 L C 1.349 178.237 176.870 0.030 0.000 1.146 160 L CA 0.767 55.602 54.840 -0.008 0.000 0.858 160 L CB -0.324 41.697 42.059 -0.064 0.000 0.969 160 L HN 0.525 nan 8.230 nan 0.000 0.451 161 G N -1.013 107.798 108.800 0.020 0.000 2.164 161 G HA2 0.066 4.026 3.960 -0.000 0.000 0.154 161 G HA3 0.066 4.026 3.960 -0.000 0.000 0.154 161 G C 0.498 175.420 174.900 0.038 0.000 1.014 161 G CA -0.328 44.790 45.100 0.031 0.000 0.683 161 G HN 0.703 nan 8.290 nan 0.000 0.500 162 G N -0.754 108.073 108.800 0.045 0.000 2.758 162 G HA2 0.435 4.395 3.960 -0.000 0.000 0.686 162 G HA3 0.435 4.395 3.960 -0.000 0.000 0.686 162 G C 0.385 175.390 174.900 0.174 0.000 1.389 162 G CA 0.748 45.919 45.100 0.119 0.000 0.845 162 G HN 2.121 nan 8.290 nan 0.000 0.572 163 A N -0.609 122.351 122.820 0.233 0.000 2.407 163 A HA 0.698 5.018 4.320 -0.000 0.000 0.248 163 A C 1.612 179.195 177.584 -0.002 0.000 1.082 163 A CA 0.695 52.747 52.037 0.025 0.000 0.785 163 A CB 0.912 19.831 19.000 -0.136 0.000 1.020 163 A HN 2.349 nan 8.150 nan 0.000 0.489 164 V N -0.619 119.273 119.914 -0.037 0.000 3.427 164 V HA 0.405 4.525 4.120 -0.000 0.000 0.305 164 V C 0.290 176.358 176.094 -0.043 0.000 1.412 164 V CA 0.268 62.557 62.300 -0.019 0.000 1.086 164 V CB -1.592 30.235 31.823 0.006 0.000 0.964 164 V HN 0.955 nan 8.190 nan 0.000 0.439 165 R N -1.850 118.598 120.500 -0.087 0.000 2.643 165 R HA 0.512 4.852 4.340 -0.000 0.000 0.269 165 R C -0.912 175.283 176.300 -0.175 0.000 1.037 165 R CA -0.601 55.436 56.100 -0.105 0.000 0.894 165 R CB 1.083 31.323 30.300 -0.101 0.000 1.238 165 R HN -0.060 nan 8.270 nan 0.000 0.459 166 D N 0.828 121.122 120.400 -0.176 0.000 2.317 166 D HA -0.053 4.587 4.640 -0.000 0.000 0.211 166 D C -0.172 175.846 176.300 -0.470 0.000 0.966 166 D CA 1.326 55.145 54.000 -0.302 0.000 0.876 166 D CB 0.446 41.139 40.800 -0.178 0.000 0.927 166 D HN 0.635 nan 8.370 nan 0.000 0.519 167 E N -0.546 119.482 120.200 -0.286 0.000 2.412 167 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 167 E C -1.074 175.405 176.600 -0.201 0.000 0.984 167 E CA -0.778 55.474 56.400 -0.247 0.000 0.788 167 E CB 1.436 31.067 29.700 -0.115 0.000 1.277 167 E HN -0.173 nan 8.360 nan 0.000 0.455 168 I N 2.163 122.605 120.570 -0.214 0.000 2.331 168 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 168 I C -0.048 175.895 176.117 -0.290 0.000 0.998 168 I CA -0.671 60.441 61.300 -0.313 0.000 1.267 168 I CB 1.471 39.188 38.000 -0.472 0.000 1.386 168 I HN 0.503 nan 8.210 nan 0.000 0.476 169 Q N 5.935 125.580 119.800 -0.258 0.000 2.256 169 Q HA 0.596 4.936 4.340 -0.000 0.000 0.257 169 Q C -1.637 174.264 176.000 -0.166 0.000 0.936 169 Q CA -0.543 55.195 55.803 -0.108 0.000 0.903 169 Q CB 1.844 30.563 28.738 -0.031 0.000 1.263 169 Q HN 0.400 nan 8.270 nan 0.000 0.440 170 F N 1.620 121.643 119.950 0.123 0.000 2.538 170 F HA 0.481 5.008 4.527 -0.000 0.000 0.325 170 F C -0.537 175.503 175.800 0.400 0.000 1.066 170 F CA -1.057 57.111 58.000 0.281 0.000 0.946 170 F CB 1.427 40.639 39.000 0.355 0.000 1.199 170 F HN 0.617 nan 8.300 nan 0.000 0.473 171 Y N 0.568 121.157 120.300 0.482 0.000 2.509 171 Y HA 0.894 5.444 4.550 -0.000 0.000 0.341 171 Y C -0.993 174.957 175.900 0.083 0.000 1.038 171 Y CA -1.914 56.304 58.100 0.196 0.000 1.089 171 Y CB 0.964 39.480 38.460 0.095 0.000 1.241 171 Y HN 0.685 nan 8.280 nan 0.000 0.468 172 A N 1.888 124.629 122.820 -0.131 0.000 2.330 172 A HA 0.696 5.016 4.320 -0.000 0.000 0.327 172 A C -0.735 176.769 177.584 -0.133 0.000 1.155 172 A CA -0.777 50.986 52.037 -0.456 0.000 0.803 172 A CB 0.686 19.066 19.000 -1.034 0.000 1.208 172 A HN 0.807 nan 8.150 nan 0.000 0.477 173 T N 1.339 115.794 114.554 -0.164 0.000 2.771 173 T HA 0.728 5.077 4.350 -0.000 0.000 0.281 173 T C 0.344 174.808 174.700 -0.394 0.000 0.982 173 T CA 0.434 62.483 62.100 -0.086 0.000 0.978 173 T CB 1.236 70.149 68.868 0.075 0.000 0.930 173 T HN 1.635 nan 8.240 nan 0.000 0.447 174 G N 0.833 109.241 108.800 -0.654 0.000 2.315 174 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 174 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 174 G C 0.147 174.545 174.900 -0.837 0.000 1.300 174 G CA -0.164 44.017 45.100 -1.532 0.000 0.843 174 G HN 0.643 nan 8.290 nan 0.000 0.527 175 A N -0.731 121.636 122.820 -0.756 0.000 2.238 175 A HA 0.376 4.696 4.320 -0.000 0.000 0.208 175 A C 1.074 178.573 177.584 -0.143 0.000 1.177 175 A CA 0.790 52.708 52.037 -0.199 0.000 0.804 175 A CB -0.069 18.954 19.000 0.038 0.000 0.823 175 A HN 0.275 nan 8.150 nan 0.000 0.482 176 R N -0.506 119.867 120.500 -0.211 0.000 2.651 176 R HA 0.249 4.589 4.340 -0.000 0.000 0.282 176 R C -2.555 173.696 176.300 -0.082 0.000 1.565 176 R CA -1.926 54.103 56.100 -0.118 0.000 1.661 176 R CB 0.083 30.317 30.300 -0.110 0.000 1.189 176 R HN 0.141 nan 8.270 nan 0.000 0.621 177 P HA -0.180 nan 4.420 nan 0.000 0.218 177 P C 0.914 178.180 177.300 -0.057 0.000 1.148 177 P CA 1.267 64.429 63.100 0.104 0.000 0.822 177 P CB 0.339 32.163 31.700 0.206 0.000 0.784 178 D N -0.225 120.104 120.400 -0.117 0.000 2.117 178 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 178 D C 1.889 178.084 176.300 -0.175 0.000 0.987 178 D CA 1.234 55.113 54.000 -0.202 0.000 0.829 178 D CB -1.224 39.498 40.800 -0.131 0.000 0.961 178 D HN 0.207 nan 8.370 nan 0.000 0.460 179 L N 0.314 121.478 121.223 -0.099 0.000 2.156 179 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 179 L C 2.803 179.670 176.870 -0.006 0.000 1.095 179 L CA 0.922 55.728 54.840 -0.058 0.000 0.770 179 L CB -0.477 41.557 42.059 -0.041 0.000 0.914 179 L HN 0.064 nan 8.230 nan 0.000 0.439 180 A N 0.355 123.191 122.820 0.027 0.000 1.933 180 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 180 A C 2.406 180.147 177.584 0.262 0.000 1.175 180 A CA 1.851 54.023 52.037 0.226 0.000 0.628 180 A CB -0.396 18.710 19.000 0.176 0.000 0.814 180 A HN 0.320 nan 8.150 nan 0.000 0.444 181 K N -0.076 120.244 120.400 -0.134 0.000 2.057 181 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 181 K C 1.852 178.372 176.600 -0.132 0.000 1.049 181 K CA 1.731 57.800 56.287 -0.363 0.000 0.931 181 K CB -0.203 31.706 32.500 -0.985 0.000 0.714 181 K HN 0.618 nan 8.250 nan 0.000 0.440 182 E N 0.114 120.242 120.200 -0.119 0.000 2.110 182 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 182 E C 1.896 178.466 176.600 -0.050 0.000 0.988 182 E CA 1.425 57.777 56.400 -0.080 0.000 0.804 182 E CB -0.046 29.612 29.700 -0.070 0.000 0.745 182 E HN 0.395 nan 8.360 nan 0.000 0.458 183 M N -1.036 118.564 119.600 0.001 0.000 2.562 183 M HA 0.028 4.508 4.480 -0.000 0.000 0.257 183 M C 1.225 177.408 176.300 -0.195 0.000 1.099 183 M CA 0.960 56.231 55.300 -0.049 0.000 1.099 183 M CB 0.593 33.241 32.600 0.080 0.000 1.427 183 M HN 0.345 nan 8.290 nan 0.000 0.489 184 G N -0.133 108.595 108.800 -0.119 0.000 2.184 184 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.206 184 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.206 184 G C -0.016 174.788 174.900 -0.161 0.000 0.995 184 G CA -0.712 44.285 45.100 -0.170 0.000 0.651 184 G HN 0.304 nan 8.290 nan 0.000 0.511 185 F N 0.804 120.796 119.950 0.070 0.000 2.490 185 F HA 0.443 4.969 4.527 -0.000 0.000 0.336 185 F C 2.182 178.048 175.800 0.110 0.000 1.178 185 F CA 0.174 58.239 58.000 0.107 0.000 1.301 185 F CB 0.524 39.622 39.000 0.163 0.000 1.175 185 F HN 0.145 nan 8.300 nan 0.000 0.593 186 I N -0.933 119.676 120.570 0.065 0.000 3.578 186 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 186 I C 0.649 176.207 176.117 -0.931 0.000 1.280 186 I CA 0.404 61.463 61.300 -0.402 0.000 1.347 186 I CB -0.525 37.060 38.000 -0.691 0.000 1.051 186 I HN 0.483 nan 8.210 nan 0.000 0.460 187 G N -0.019 108.263 108.800 -0.863 0.000 2.451 187 G HA2 0.535 4.495 3.960 -0.000 0.000 0.292 187 G HA3 0.535 4.495 3.960 -0.000 0.000 0.292 187 G C -1.491 173.007 174.900 -0.670 0.000 1.427 187 G CA -0.241 44.008 45.100 -1.419 0.000 0.792 187 G HN 0.258 nan 8.290 nan 0.000 0.498 188 G N -0.262 108.260 108.800 -0.463 0.000 2.707 188 G HA2 0.580 4.540 3.960 -0.000 0.000 0.299 188 G HA3 0.580 4.540 3.960 -0.000 0.000 0.299 188 G C -1.062 173.790 174.900 -0.080 0.000 1.442 188 G CA -0.567 44.525 45.100 -0.013 0.000 1.009 188 G HN 0.552 nan 8.290 nan 0.000 0.515 189 K N 2.671 123.063 120.400 -0.013 0.000 2.213 189 K HA 0.638 4.958 4.320 -0.000 0.000 0.270 189 K C -0.102 176.494 176.600 -0.006 0.000 1.002 189 K CA -0.540 55.712 56.287 -0.059 0.000 0.868 189 K CB 0.945 33.490 32.500 0.075 0.000 1.093 189 K HN 0.448 nan 8.250 nan 0.000 0.454 190 M N 5.628 125.226 119.600 -0.003 0.000 2.508 190 M HA 0.435 4.915 4.480 -0.000 0.000 0.327 190 M C -2.235 174.120 176.300 0.092 0.000 1.160 190 M CA -2.202 53.118 55.300 0.034 0.000 0.980 190 M CB 1.991 34.618 32.600 0.045 0.000 1.693 190 M HN 0.471 nan 8.290 nan 0.000 0.452 191 P HA 0.190 nan 4.420 nan 0.000 0.281 191 P C -0.876 176.358 177.300 -0.109 0.000 1.249 191 P CA -0.375 62.768 63.100 0.073 0.000 0.810 191 P CB 0.759 32.532 31.700 0.122 0.000 1.008 192 T N -0.956 113.583 114.554 -0.026 0.000 2.904 192 T HA 0.229 4.579 4.350 -0.000 0.000 0.290 192 T C 0.897 175.466 174.700 -0.218 0.000 1.018 192 T CA -0.288 61.815 62.100 0.004 0.000 1.075 192 T CB 0.427 69.400 68.868 0.175 0.000 0.986 192 T HN 0.413 nan 8.240 nan 0.000 0.523 193 H N -0.022 119.061 119.070 0.022 0.000 2.874 193 H HA 0.212 4.768 4.556 -0.000 0.000 0.264 193 H C -0.501 174.495 175.328 -0.554 0.000 1.007 193 H CA -0.190 55.693 56.048 -0.275 0.000 1.207 193 H CB 0.409 29.871 29.762 -0.501 0.000 1.487 193 H HN 0.628 nan 8.280 nan 0.000 0.505 194 W N 0.338 121.814 121.300 0.293 0.000 2.799 194 W HA 0.573 5.233 4.660 -0.000 0.000 0.349 194 W C 0.464 177.014 176.519 0.051 0.000 1.100 194 W CA -0.828 56.625 57.345 0.179 0.000 1.174 194 W CB 1.268 30.820 29.460 0.155 0.000 1.427 194 W HN -0.039 nan 8.180 nan 0.000 0.547 195 G N -0.082 108.684 108.800 -0.057 0.000 3.105 195 G HA2 0.494 4.454 3.960 -0.000 0.000 0.277 195 G HA3 0.494 4.454 3.960 -0.000 0.000 0.277 195 G C -2.431 171.854 174.900 -1.025 0.000 1.375 195 G CA -1.360 43.468 45.100 -0.453 0.000 0.962 195 G HN 0.138 nan 8.290 nan 0.000 0.541 196 P HA -0.198 nan 4.420 nan 0.000 0.216 196 P C 1.534 178.657 177.300 -0.296 0.000 1.154 196 P CA 1.875 64.520 63.100 -0.759 0.000 0.865 196 P CB -0.091 31.420 31.700 -0.316 0.000 0.789 197 H N -1.783 117.190 119.070 -0.162 0.000 2.518 197 H HA -0.015 4.541 4.556 -0.000 0.000 0.289 197 H C 0.797 176.137 175.328 0.019 0.000 1.051 197 H CA 1.043 57.059 56.048 -0.054 0.000 1.280 197 H CB -0.986 28.745 29.762 -0.052 0.000 1.380 197 H HN 0.209 nan 8.280 nan 0.000 0.566 198 D N 0.918 121.119 120.400 -0.331 0.000 2.354 198 D HA 0.102 4.742 4.640 -0.000 0.000 0.209 198 D C 1.572 177.878 176.300 0.011 0.000 1.015 198 D CA 0.861 54.803 54.000 -0.098 0.000 0.867 198 D CB 0.421 41.211 40.800 -0.016 0.000 0.933 198 D HN 0.569 nan 8.370 nan 0.000 0.520 199 G N 2.141 110.987 108.800 0.077 0.000 2.594 199 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.297 199 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.297 199 G C 0.698 175.706 174.900 0.180 0.000 1.273 199 G CA 0.463 45.664 45.100 0.169 0.000 0.974 199 G HN 0.146 nan 8.290 nan 0.000 0.552 200 D N 0.577 121.024 120.400 0.079 0.000 2.182 200 D HA -0.036 4.604 4.640 -0.000 0.000 0.201 200 D C 2.767 179.063 176.300 -0.007 0.000 0.986 200 D CA 1.951 55.969 54.000 0.029 0.000 0.847 200 D CB -0.537 40.268 40.800 0.008 0.000 0.942 200 D HN 0.721 nan 8.370 nan 0.000 0.467 201 A N 1.128 123.923 122.820 -0.042 0.000 1.898 201 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 201 A C 2.424 179.887 177.584 -0.200 0.000 1.181 201 A CA 1.963 53.919 52.037 -0.135 0.000 0.620 201 A CB -1.001 17.888 19.000 -0.184 0.000 0.819 201 A HN 0.302 nan 8.150 nan 0.000 0.442 202 G N 0.025 108.763 108.800 -0.102 0.000 2.418 202 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 202 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 202 G C 1.526 176.519 174.900 0.154 0.000 1.158 202 G CA 1.109 46.215 45.100 0.011 0.000 0.771 202 G HN 0.471 nan 8.290 nan 0.000 0.545 203 I N 0.039 120.679 120.570 0.117 0.000 2.226 203 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 203 I C 2.831 178.967 176.117 0.033 0.000 1.100 203 I CA 1.203 62.511 61.300 0.012 0.000 1.374 203 I CB -0.216 37.714 38.000 -0.117 0.000 1.057 203 I HN 0.116 nan 8.210 nan 0.000 0.413 204 R N 1.383 121.883 120.500 0.001 0.000 2.081 204 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 204 R C 2.274 178.577 176.300 0.005 0.000 1.131 204 R CA 1.606 57.707 56.100 0.000 0.000 0.960 204 R CB -0.020 30.261 30.300 -0.032 0.000 0.856 204 R HN 0.262 nan 8.270 nan 0.000 0.436 205 K N -0.053 120.323 120.400 -0.039 0.000 2.025 205 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 205 K C 1.739 178.440 176.600 0.167 0.000 1.049 205 K CA 1.595 57.883 56.287 0.002 0.000 0.933 205 K CB -0.069 32.305 32.500 -0.210 0.000 0.714 205 K HN 0.238 nan 8.250 nan 0.000 0.438 206 D N 0.494 121.054 120.400 0.266 0.000 2.178 206 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 206 D C 1.774 178.165 176.300 0.153 0.000 0.974 206 D CA 0.939 55.108 54.000 0.281 0.000 0.841 206 D CB 0.026 41.025 40.800 0.331 0.000 0.953 206 D HN 0.191 nan 8.370 nan 0.000 0.478 207 A N 1.054 123.945 122.820 0.119 0.000 1.930 207 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 207 A C 2.304 179.879 177.584 -0.016 0.000 1.175 207 A CA 1.754 53.854 52.037 0.105 0.000 0.627 207 A CB -0.449 18.649 19.000 0.163 0.000 0.815 207 A HN 0.217 nan 8.150 nan 0.000 0.443 208 A N -0.505 122.311 122.820 -0.007 0.000 1.930 208 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 208 A C 2.234 179.760 177.584 -0.098 0.000 1.175 208 A CA 1.747 53.739 52.037 -0.075 0.000 0.627 208 A CB -0.531 18.456 19.000 -0.022 0.000 0.815 208 A HN 0.630 nan 8.150 nan 0.000 0.443 209 M N -0.272 119.322 119.600 -0.010 0.000 2.117 209 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 209 M C 1.850 178.118 176.300 -0.053 0.000 1.065 209 M CA 1.999 57.306 55.300 0.012 0.000 1.114 209 M CB -0.209 32.461 32.600 0.117 0.000 1.361 209 M HN 0.196 nan 8.290 nan 0.000 0.408 210 V N 0.949 120.814 119.914 -0.082 0.000 2.307 210 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 210 V C 2.746 178.641 176.094 -0.330 0.000 1.045 210 V CA 1.874 64.098 62.300 -0.126 0.000 1.024 210 V CB -1.458 30.337 31.823 -0.047 0.000 0.651 210 V HN 0.663 nan 8.190 nan 0.000 0.449 211 A N 0.233 122.637 122.820 -0.693 0.000 1.908 211 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 211 A C 2.034 179.374 177.584 -0.407 0.000 1.181 211 A CA 2.355 53.773 52.037 -1.032 0.000 0.627 211 A CB -0.756 17.508 19.000 -1.227 0.000 0.818 211 A HN 0.639 nan 8.150 nan 0.000 0.445 212 D N -1.181 119.068 120.400 -0.252 0.000 2.097 212 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 212 D C 1.912 178.157 176.300 -0.092 0.000 0.989 212 D CA 1.585 55.507 54.000 -0.130 0.000 0.827 212 D CB -0.137 40.612 40.800 -0.085 0.000 0.966 212 D HN 0.248 nan 8.370 nan 0.000 0.456 213 M N -0.044 119.508 119.600 -0.081 0.000 2.229 213 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 213 M C 2.182 178.476 176.300 -0.010 0.000 1.063 213 M CA 0.819 56.098 55.300 -0.034 0.000 1.114 213 M CB -0.765 31.837 32.600 0.003 0.000 1.387 213 M HN 0.050 nan 8.290 nan 0.000 0.420 214 R N 0.939 121.422 120.500 -0.028 0.000 2.092 214 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 214 R C 1.982 178.296 176.300 0.023 0.000 1.119 214 R CA 1.495 57.615 56.100 0.033 0.000 0.970 214 R CB -0.574 29.758 30.300 0.053 0.000 0.864 214 R HN 0.249 nan 8.270 nan 0.000 0.440 215 E N 0.837 121.027 120.200 -0.017 0.000 2.051 215 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 215 E C 1.559 178.148 176.600 -0.019 0.000 0.991 215 E CA 1.487 57.881 56.400 -0.010 0.000 0.799 215 E CB 0.054 29.736 29.700 -0.029 0.000 0.748 215 E HN 0.400 nan 8.360 nan 0.000 0.449 216 K N -0.700 119.678 120.400 -0.037 0.000 2.155 216 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 216 K C 2.172 178.721 176.600 -0.086 0.000 1.052 216 K CA 1.151 57.403 56.287 -0.059 0.000 0.948 216 K CB 0.094 32.553 32.500 -0.069 0.000 0.728 216 K HN 0.166 nan 8.250 nan 0.000 0.448 217 C N 0.181 119.436 119.300 -0.074 0.000 2.780 217 C HA 0.304 4.763 4.460 -0.000 0.000 0.267 217 C C 1.032 176.011 174.990 -0.019 0.000 1.266 217 C CA -0.073 58.868 59.018 -0.128 0.000 1.709 217 C CB -0.715 26.945 27.740 -0.135 0.000 1.975 217 C HN 0.701 nan 8.230 nan 0.000 0.582 218 G N 1.903 110.721 108.800 0.029 0.000 2.756 218 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.678 218 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.678 218 G C -1.704 173.261 174.900 0.109 0.000 1.349 218 G CA -0.054 45.080 45.100 0.056 0.000 0.847 218 G HN 0.045 nan 8.290 nan 0.000 0.548 219 P HA 0.070 nan 4.420 nan 0.000 0.222 219 P C 0.697 178.084 177.300 0.146 0.000 1.153 219 P CA 1.571 64.740 63.100 0.115 0.000 0.798 219 P CB 0.206 31.958 31.700 0.086 0.000 0.796 220 D N -0.925 119.562 120.400 0.145 0.000 2.305 220 D HA -0.000 4.640 4.640 -0.000 0.000 0.206 220 D C 0.439 176.838 176.300 0.166 0.000 0.974 220 D CA 0.132 54.225 54.000 0.156 0.000 0.871 220 D CB -0.335 40.526 40.800 0.101 0.000 0.947 220 D HN 0.168 nan 8.370 nan 0.000 0.516 221 F N 2.378 122.334 119.950 0.011 0.000 2.472 221 F HA 0.122 4.649 4.527 -0.000 0.000 0.364 221 F C 0.010 175.855 175.800 0.075 0.000 1.090 221 F CA -1.179 56.788 58.000 -0.054 0.000 1.188 221 F CB 0.367 39.343 39.000 -0.040 0.000 1.105 221 F HN -0.177 nan 8.300 nan 0.000 0.536 222 W N 7.525 128.489 121.300 -0.559 0.000 2.158 222 W HA 0.375 5.035 4.660 -0.000 0.000 0.339 222 W C -0.749 175.447 176.519 -0.538 0.000 1.294 222 W CA -1.026 56.022 57.345 -0.496 0.000 1.231 222 W CB -0.129 28.996 29.460 -0.558 0.000 1.143 222 W HN 0.337 nan 8.180 nan 0.000 0.571 223 L N 3.696 124.844 121.223 -0.125 0.000 2.408 223 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 223 L C -0.437 176.238 176.870 -0.324 0.000 0.986 223 L CA -0.985 53.760 54.840 -0.159 0.000 0.820 223 L CB 1.551 43.602 42.059 -0.013 0.000 1.303 223 L HN 0.221 nan 8.230 nan 0.000 0.411 224 M N 3.578 122.926 119.600 -0.420 0.000 2.631 224 M HA 0.609 5.089 4.480 -0.000 0.000 0.288 224 M C -1.144 174.985 176.300 -0.284 0.000 1.260 224 M CA -0.143 54.790 55.300 -0.611 0.000 0.842 224 M CB 2.390 34.132 32.600 -1.429 0.000 1.743 224 M HN 0.277 nan 8.290 nan 0.000 0.461 225 L N 0.823 121.947 121.223 -0.165 0.000 2.362 225 L HA 0.537 4.877 4.340 -0.000 0.000 0.275 225 L C -1.062 175.901 176.870 0.155 0.000 0.998 225 L CA -0.626 54.232 54.840 0.029 0.000 0.820 225 L CB 1.783 43.890 42.059 0.080 0.000 1.270 225 L HN 0.639 nan 8.230 nan 0.000 0.415 226 D N 1.984 122.510 120.400 0.208 0.000 2.256 226 D HA 0.227 4.867 4.640 -0.000 0.000 0.240 226 D C -0.138 176.346 176.300 0.306 0.000 1.062 226 D CA -0.415 53.776 54.000 0.320 0.000 0.832 226 D CB 1.962 42.984 40.800 0.370 0.000 1.135 226 D HN 0.587 nan 8.370 nan 0.000 0.484 227 C N 3.239 122.741 119.300 0.336 0.000 2.974 227 C HA 0.138 4.598 4.460 -0.000 0.000 0.282 227 C C 0.560 175.780 174.990 0.383 0.000 1.292 227 C CA -0.936 58.271 59.018 0.315 0.000 1.710 227 C CB -2.088 25.818 27.740 0.276 0.000 2.036 227 C HN 0.875 nan 8.230 nan 0.000 0.629 228 W N 2.312 123.740 121.300 0.214 0.000 7.736 228 W HA -0.308 4.352 4.660 0.000 0.000 0.423 228 W C 0.938 177.539 176.519 0.136 0.000 1.715 228 W CA 0.985 58.456 57.345 0.209 0.000 1.239 228 W CB -1.330 28.244 29.460 0.190 0.000 2.950 228 W HN 0.619 nan 8.180 nan 0.000 1.655 229 M N -0.369 119.264 119.600 0.055 0.000 2.763 229 M HA -0.398 4.082 4.480 -0.000 0.000 0.178 229 M C 1.504 177.803 176.300 -0.002 0.000 0.620 229 M CA 1.589 56.854 55.300 -0.058 0.000 0.594 229 M CB -2.229 30.179 32.600 -0.321 0.000 2.167 229 M HN 0.428 nan 8.290 nan 0.000 0.512 230 S N -1.658 114.107 115.700 0.110 0.000 2.593 230 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 230 S C 0.636 175.264 174.600 0.046 0.000 0.966 230 S CA 0.113 58.370 58.200 0.096 0.000 0.914 230 S CB 0.298 63.600 63.200 0.168 0.000 0.776 230 S HN 0.725 nan 8.310 nan 0.000 0.523 231 Q N 0.833 120.666 119.800 0.056 0.000 2.990 231 Q HA 0.596 4.935 4.340 -0.000 0.000 0.255 231 Q C -1.436 174.574 176.000 0.017 0.000 1.040 231 Q CA -1.099 54.738 55.803 0.057 0.000 0.897 231 Q CB 0.606 29.479 28.738 0.226 0.000 1.429 231 Q HN 0.461 nan 8.270 nan 0.000 0.497 232 D N -1.752 118.683 120.400 0.058 0.000 2.566 232 D HA 0.233 4.873 4.640 -0.000 0.000 0.254 232 D C 0.483 176.809 176.300 0.044 0.000 1.090 232 D CA -0.828 53.180 54.000 0.014 0.000 1.034 232 D CB 0.598 41.405 40.800 0.013 0.000 1.434 232 D HN 0.197 nan 8.370 nan 0.000 0.509 233 V N 0.445 120.360 119.914 0.002 0.000 2.282 233 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 233 V C 2.254 178.382 176.094 0.056 0.000 1.057 233 V CA 2.551 64.859 62.300 0.013 0.000 1.032 233 V CB -1.175 30.645 31.823 -0.005 0.000 0.645 233 V HN 0.739 nan 8.190 nan 0.000 0.447 234 N N -0.642 118.097 118.700 0.066 0.000 2.084 234 N HA -0.246 4.494 4.740 -0.000 0.000 0.190 234 N C 1.859 177.433 175.510 0.107 0.000 1.030 234 N CA 1.929 55.023 53.050 0.074 0.000 0.849 234 N CB -0.405 38.124 38.487 0.069 0.000 1.012 234 N HN 0.550 nan 8.380 nan 0.000 0.423 235 Y N 0.573 120.891 120.300 0.029 0.000 2.145 235 Y HA -0.067 4.483 4.550 -0.000 0.000 0.286 235 Y C 2.272 178.210 175.900 0.064 0.000 1.145 235 Y CA 1.804 59.931 58.100 0.045 0.000 1.148 235 Y CB -0.712 37.775 38.460 0.044 0.000 0.981 235 Y HN 0.200 nan 8.280 nan 0.000 0.507 236 A N -0.939 121.982 122.820 0.168 0.000 1.902 236 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 236 A C 2.230 179.846 177.584 0.055 0.000 1.181 236 A CA 2.274 54.375 52.037 0.107 0.000 0.623 236 A CB -1.303 17.768 19.000 0.119 0.000 0.818 236 A HN 0.498 nan 8.150 nan 0.000 0.443 237 T N -0.011 114.585 114.554 0.070 0.000 2.708 237 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 237 T C 1.941 176.723 174.700 0.137 0.000 1.037 237 T CA 1.763 63.938 62.100 0.124 0.000 1.146 237 T CB -0.198 68.731 68.868 0.101 0.000 0.865 237 T HN 0.558 nan 8.240 nan 0.000 0.435 238 K N 0.471 120.875 120.400 0.007 0.000 2.057 238 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 238 K C 2.199 178.764 176.600 -0.058 0.000 1.049 238 K CA 0.920 57.183 56.287 -0.041 0.000 0.931 238 K CB -0.376 32.051 32.500 -0.122 0.000 0.714 238 K HN 0.119 nan 8.250 nan 0.000 0.440 239 L N 1.174 122.297 121.223 -0.167 0.000 2.046 239 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 239 L C 2.204 179.072 176.870 -0.004 0.000 1.077 239 L CA 1.820 56.586 54.840 -0.124 0.000 0.747 239 L CB -0.753 41.206 42.059 -0.168 0.000 0.896 239 L HN 0.136 nan 8.230 nan 0.000 0.432 240 A N -1.346 121.482 122.820 0.014 0.000 1.883 240 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 240 A C 2.265 179.803 177.584 -0.077 0.000 1.186 240 A CA 1.886 53.913 52.037 -0.017 0.000 0.624 240 A CB -1.047 17.932 19.000 -0.036 0.000 0.822 240 A HN 0.688 nan 8.150 nan 0.000 0.444 241 H N -0.834 118.226 119.070 -0.016 0.000 2.423 241 H HA 0.020 4.576 4.556 -0.000 0.000 0.297 241 H C 2.451 177.757 175.328 -0.036 0.000 1.075 241 H CA 1.232 57.263 56.048 -0.028 0.000 1.342 241 H CB -0.148 29.596 29.762 -0.031 0.000 1.395 241 H HN 0.553 nan 8.280 nan 0.000 0.530 242 A N 0.114 122.983 122.820 0.082 0.000 2.014 242 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 242 A C 2.410 180.049 177.584 0.093 0.000 1.163 242 A CA 1.001 53.077 52.037 0.065 0.000 0.652 242 A CB -0.524 18.512 19.000 0.060 0.000 0.808 242 A HN 0.438 nan 8.150 nan 0.000 0.449 243 C N -1.332 118.021 119.300 0.089 0.000 2.799 243 C HA 0.436 4.896 4.460 -0.000 0.000 0.267 243 C C 2.932 177.932 174.990 0.017 0.000 1.257 243 C CA -0.225 58.900 59.018 0.178 0.000 1.702 243 C CB -0.977 26.860 27.740 0.162 0.000 1.934 243 C HN 0.709 nan 8.230 nan 0.000 0.594 244 A N 2.451 125.215 122.820 -0.094 0.000 1.908 244 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 244 A C 0.066 177.513 177.584 -0.229 0.000 1.181 244 A CA 1.774 53.726 52.037 -0.142 0.000 0.627 244 A CB -1.692 17.220 19.000 -0.146 0.000 0.818 244 A HN 0.443 nan 8.150 nan 0.000 0.445 245 P HA -0.095 nan 4.420 nan 0.000 0.221 245 P C 0.289 177.212 177.300 -0.629 0.000 1.145 245 P CA 0.829 63.562 63.100 -0.611 0.000 0.795 245 P CB -0.106 31.062 31.700 -0.887 0.000 0.775 246 F N -2.346 117.603 119.950 -0.001 0.000 2.641 246 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 246 F C 0.715 176.513 175.800 -0.004 0.000 1.098 246 F CA -0.784 57.218 58.000 0.003 0.000 1.318 246 F CB -1.357 37.648 39.000 0.008 0.000 1.035 246 F HN -0.162 nan 8.300 nan 0.000 0.551 247 N N 1.482 120.208 118.700 0.043 0.000 2.714 247 N HA -0.247 4.493 4.740 -0.000 0.000 0.253 247 N C -0.446 175.071 175.510 0.012 0.000 1.024 247 N CA 0.028 53.086 53.050 0.014 0.000 0.726 247 N CB -1.264 37.237 38.487 0.023 0.000 0.908 247 N HN 0.296 nan 8.380 nan 0.000 0.542 248 L N 0.757 121.992 121.223 0.020 0.000 2.534 248 L HA 0.097 4.436 4.340 -0.000 0.000 0.271 248 L C 1.661 178.482 176.870 -0.082 0.000 1.178 248 L CA 0.741 55.567 54.840 -0.023 0.000 0.907 248 L CB 0.417 42.480 42.059 0.007 0.000 1.164 248 L HN 0.331 nan 8.230 nan 0.000 0.482 249 K N 4.320 124.612 120.400 -0.179 0.000 2.057 249 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 249 K C -0.522 176.088 176.600 0.017 0.000 1.049 249 K CA 1.606 57.775 56.287 -0.197 0.000 0.931 249 K CB 0.131 32.371 32.500 -0.433 0.000 0.714 249 K HN 0.770 nan 8.250 nan 0.000 0.440 250 W N -0.964 120.267 121.300 -0.114 0.000 3.146 250 W HA 0.439 5.099 4.660 -0.000 0.000 0.319 250 W C -2.037 174.479 176.519 -0.006 0.000 1.258 250 W CA -1.284 56.023 57.345 -0.062 0.000 1.189 250 W CB 0.351 29.770 29.460 -0.068 0.000 1.412 250 W HN -0.201 nan 8.180 nan 0.000 0.567 251 I N 2.806 123.625 120.570 0.415 0.000 2.389 251 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 251 I C -0.608 175.774 176.117 0.440 0.000 0.999 251 I CA -0.673 60.824 61.300 0.328 0.000 1.129 251 I CB 1.342 39.460 38.000 0.196 0.000 1.288 251 I HN 0.691 nan 8.210 nan 0.000 0.444 252 E N 6.717 127.209 120.200 0.487 0.000 2.204 252 E HA 0.167 4.517 4.350 -0.000 0.000 0.276 252 E C -0.137 176.681 176.600 0.363 0.000 0.974 252 E CA -0.473 56.188 56.400 0.435 0.000 0.815 252 E CB 1.098 31.141 29.700 0.572 0.000 1.119 252 E HN 0.665 nan 8.360 nan 0.000 0.393 253 E N 2.929 123.334 120.200 0.341 0.000 2.183 253 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 253 E C -0.076 176.718 176.600 0.323 0.000 1.364 253 E CA 0.244 56.863 56.400 0.365 0.000 0.700 253 E CB -1.309 28.569 29.700 0.296 0.000 1.106 253 E HN 0.702 nan 8.360 nan 0.000 0.347 254 C N 0.517 120.005 119.300 0.313 0.000 2.432 254 C HA 0.026 4.486 4.460 -0.000 0.000 0.280 254 C C 1.179 176.189 174.990 0.032 0.000 1.353 254 C CA 0.347 59.466 59.018 0.169 0.000 1.766 254 C CB -0.673 27.145 27.740 0.130 0.000 1.924 254 C HN 0.381 nan 8.230 nan 0.000 0.509 255 L N -0.710 120.462 121.223 -0.084 0.000 2.323 255 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 255 L C -2.599 174.222 176.870 -0.081 0.000 1.012 255 L CA -2.157 52.550 54.840 -0.222 0.000 0.820 255 L CB 0.669 42.352 42.059 -0.627 0.000 1.334 255 L HN -0.358 nan 8.230 nan 0.000 0.427 256 P HA 0.017 nan 4.420 nan 0.000 0.268 256 P C -1.928 175.302 177.300 -0.117 0.000 1.208 256 P CA -0.817 62.183 63.100 -0.168 0.000 0.777 256 P CB 0.117 31.704 31.700 -0.187 0.000 0.875 257 P HA -0.210 nan 4.420 nan 0.000 0.218 257 P C 0.855 177.912 177.300 -0.406 0.000 1.148 257 P CA 1.783 64.654 63.100 -0.381 0.000 0.822 257 P CB 0.037 31.286 31.700 -0.752 0.000 0.784 258 Q N -0.161 119.430 119.800 -0.350 0.000 2.369 258 Q HA -0.055 4.285 4.340 -0.000 0.000 0.206 258 Q C 1.384 177.151 176.000 -0.387 0.000 0.963 258 Q CA 0.835 56.416 55.803 -0.368 0.000 0.894 258 Q CB -0.848 27.789 28.738 -0.167 0.000 0.965 258 Q HN 0.496 nan 8.270 nan 0.000 0.475 259 Q N 0.155 119.797 119.800 -0.263 0.000 3.179 259 Q HA 0.015 4.355 4.340 -0.000 0.000 0.328 259 Q C -0.071 175.921 176.000 -0.014 0.000 1.336 259 Q CA -0.207 55.510 55.803 -0.144 0.000 0.939 259 Q CB -0.107 28.526 28.738 -0.175 0.000 1.658 259 Q HN 0.428 nan 8.270 nan 0.000 0.486 260 Y N 0.383 120.788 120.300 0.174 0.000 2.165 260 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 260 Y C 1.826 177.805 175.900 0.133 0.000 1.155 260 Y CA 1.326 59.537 58.100 0.184 0.000 1.164 260 Y CB 0.013 38.522 38.460 0.083 0.000 0.978 260 Y HN 0.359 nan 8.280 nan 0.000 0.513 261 E N -0.439 119.895 120.200 0.224 0.000 2.110 261 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 261 E C 2.546 179.195 176.600 0.081 0.000 0.988 261 E CA 1.255 57.731 56.400 0.128 0.000 0.804 261 E CB -0.753 28.998 29.700 0.084 0.000 0.745 261 E HN 0.494 nan 8.360 nan 0.000 0.458 262 G N -0.524 108.292 108.800 0.026 0.000 2.408 262 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 262 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 262 G C 1.225 176.092 174.900 -0.054 0.000 1.150 262 G CA 0.533 45.599 45.100 -0.056 0.000 0.776 262 G HN 0.261 nan 8.290 nan 0.000 0.542 263 Y N 0.327 120.653 120.300 0.044 0.000 2.224 263 Y HA -0.085 4.465 4.550 -0.000 0.000 0.289 263 Y C 3.004 178.933 175.900 0.050 0.000 1.146 263 Y CA 1.541 59.671 58.100 0.049 0.000 1.182 263 Y CB -0.018 38.475 38.460 0.055 0.000 0.983 263 Y HN 0.102 nan 8.280 nan 0.000 0.524 264 R N 0.804 121.428 120.500 0.206 0.000 2.073 264 R HA -0.229 4.111 4.340 -0.000 0.000 0.234 264 R C 2.202 178.557 176.300 0.092 0.000 1.134 264 R CA 1.993 58.170 56.100 0.128 0.000 0.952 264 R CB -0.306 30.055 30.300 0.101 0.000 0.850 264 R HN 0.437 nan 8.270 nan 0.000 0.433 265 E N 0.144 120.388 120.200 0.073 0.000 2.072 265 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 265 E C 1.997 178.632 176.600 0.058 0.000 0.985 265 E CA 1.068 57.499 56.400 0.052 0.000 0.801 265 E CB -0.090 29.630 29.700 0.033 0.000 0.750 265 E HN 0.303 nan 8.360 nan 0.000 0.452 266 L N 1.641 122.901 121.223 0.062 0.000 2.046 266 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 266 L C 2.293 179.219 176.870 0.094 0.000 1.077 266 L CA 2.063 56.947 54.840 0.073 0.000 0.747 266 L CB -0.627 41.469 42.059 0.062 0.000 0.896 266 L HN 0.010 nan 8.230 nan 0.000 0.432 267 K N -0.016 120.450 120.400 0.110 0.000 2.103 267 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 267 K C 2.200 178.839 176.600 0.066 0.000 1.048 267 K CA 1.651 57.992 56.287 0.089 0.000 0.930 267 K CB -0.260 32.292 32.500 0.087 0.000 0.716 267 K HN 0.343 nan 8.250 nan 0.000 0.444 268 R N -0.018 120.520 120.500 0.064 0.000 2.115 268 R HA -0.000 4.340 4.340 -0.000 0.000 0.230 268 R C 1.403 177.742 176.300 0.065 0.000 1.111 268 R CA 1.375 57.507 56.100 0.053 0.000 0.976 268 R CB -0.282 30.046 30.300 0.046 0.000 0.870 268 R HN 0.265 nan 8.270 nan 0.000 0.445 269 N N 0.449 119.198 118.700 0.081 0.000 2.467 269 N HA 0.039 4.779 4.740 -0.000 0.000 0.184 269 N C 0.023 175.640 175.510 0.178 0.000 1.106 269 N CA 0.326 53.450 53.050 0.122 0.000 0.892 269 N CB 0.173 38.728 38.487 0.113 0.000 0.969 269 N HN 0.131 nan 8.380 nan 0.000 0.454 270 A N 1.970 124.842 122.820 0.087 0.000 2.498 270 A HA 0.299 4.619 4.320 -0.000 0.000 0.239 270 A C -2.018 175.517 177.584 -0.082 0.000 1.068 270 A CA -0.747 51.289 52.037 -0.002 0.000 0.766 270 A CB -0.336 18.668 19.000 0.008 0.000 1.003 270 A HN 0.007 nan 8.150 nan 0.000 0.497 271 P HA 0.231 nan 4.420 nan 0.000 0.267 271 P C -0.098 177.138 177.300 -0.105 0.000 1.200 271 P CA 0.421 63.346 63.100 -0.292 0.000 0.772 271 P CB 0.480 31.931 31.700 -0.415 0.000 0.855 272 A N 2.870 125.660 122.820 -0.050 0.000 2.566 272 A HA 0.383 4.703 4.320 -0.000 0.000 0.245 272 A C 1.624 179.185 177.584 -0.038 0.000 1.056 272 A CA 0.865 52.886 52.037 -0.027 0.000 0.757 272 A CB -1.426 17.567 19.000 -0.011 0.000 0.979 272 A HN 0.886 nan 8.150 nan 0.000 0.508 273 G N 1.345 110.128 108.800 -0.029 0.000 2.253 273 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 273 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 273 G C 0.421 175.300 174.900 -0.035 0.000 0.998 273 G CA 0.548 45.629 45.100 -0.032 0.000 0.621 273 G HN 1.146 nan 8.290 nan 0.000 0.524 274 M N 1.913 121.490 119.600 -0.038 0.000 2.180 274 M HA 0.684 5.164 4.480 -0.000 0.000 0.358 274 M C 0.685 176.995 176.300 0.016 0.000 1.233 274 M CA -0.283 55.004 55.300 -0.021 0.000 1.114 274 M CB 0.418 32.990 32.600 -0.047 0.000 1.594 274 M HN 0.254 nan 8.290 nan 0.000 0.467 275 M N 3.848 123.485 119.600 0.063 0.000 2.288 275 M HA 0.449 4.929 4.480 -0.000 0.000 0.334 275 M C -0.928 175.443 176.300 0.119 0.000 1.150 275 M CA -0.811 54.532 55.300 0.073 0.000 1.118 275 M CB 1.554 34.190 32.600 0.061 0.000 1.501 275 M HN 0.396 nan 8.290 nan 0.000 0.462 276 V N 1.130 121.085 119.914 0.068 0.000 2.487 276 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 276 V C 0.022 176.120 176.094 0.008 0.000 1.028 276 V CA -0.546 61.815 62.300 0.102 0.000 0.860 276 V CB 1.765 33.664 31.823 0.127 0.000 0.991 276 V HN 1.025 nan 8.190 nan 0.000 0.427 277 T N 1.149 115.703 114.554 0.001 0.000 2.887 277 T HA 0.906 5.256 4.350 -0.000 0.000 0.292 277 T C -0.474 174.193 174.700 -0.055 0.000 1.087 277 T CA -0.522 61.497 62.100 -0.135 0.000 1.009 277 T CB 2.225 70.852 68.868 -0.401 0.000 1.203 277 T HN 0.878 nan 8.240 nan 0.000 0.518 278 S N -1.813 113.818 115.700 -0.115 0.000 2.660 278 S HA 0.633 5.103 4.470 -0.000 0.000 0.264 278 S C 0.396 174.993 174.600 -0.005 0.000 1.131 278 S CA 0.493 58.650 58.200 -0.071 0.000 0.846 278 S CB 0.683 63.635 63.200 -0.413 0.000 1.151 278 S HN 2.470 nan 8.310 nan 0.000 0.486 279 G N 1.233 110.119 108.800 0.144 0.000 2.380 279 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.197 279 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.197 279 G C 0.715 175.835 174.900 0.367 0.000 1.001 279 G CA 1.094 46.367 45.100 0.288 0.000 0.668 279 G HN 1.056 nan 8.290 nan 0.000 0.483 280 E N 0.023 120.350 120.200 0.212 0.000 2.209 280 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 280 E C 1.513 178.149 176.600 0.059 0.000 0.993 280 E CA 1.281 57.727 56.400 0.077 0.000 0.819 280 E CB -0.362 29.265 29.700 -0.122 0.000 0.745 280 E HN 0.588 nan 8.360 nan 0.000 0.477 281 H N -0.312 118.863 119.070 0.176 0.000 2.551 281 H HA 0.183 4.739 4.556 -0.000 0.000 0.271 281 H C 0.208 175.482 175.328 -0.090 0.000 0.984 281 H CA 0.058 56.119 56.048 0.022 0.000 1.164 281 H CB 0.174 29.818 29.762 -0.197 0.000 1.437 281 H HN 0.231 nan 8.280 nan 0.000 0.550 282 H N 0.127 119.246 119.070 0.080 0.000 2.547 282 H HA 0.416 4.972 4.556 -0.000 0.000 0.362 282 H C 0.598 176.002 175.328 0.127 0.000 1.181 282 H CA 0.189 56.172 56.048 -0.108 0.000 1.376 282 H CB 1.765 31.125 29.762 -0.670 0.000 1.488 282 H HN 0.299 nan 8.280 nan 0.000 0.583 283 G N -0.157 108.777 108.800 0.223 0.000 2.659 283 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 283 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 283 G C -0.818 174.261 174.900 0.298 0.000 1.369 283 G CA -0.241 45.062 45.100 0.338 0.000 0.937 283 G HN 0.924 nan 8.290 nan 0.000 0.485 284 T N -1.465 113.284 114.554 0.325 0.000 0.541 284 T HA -0.191 4.159 4.350 -0.000 0.000 0.774 284 T C 0.731 175.631 174.700 0.334 0.000 0.992 284 T CA 0.439 62.685 62.100 0.243 0.000 4.077 284 T CB -0.867 68.080 68.868 0.132 0.000 2.303 284 T HN 1.807 nan 8.240 nan 0.000 0.398 285 L N 2.020 123.380 121.223 0.228 0.000 2.079 285 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 285 L C 2.723 179.697 176.870 0.173 0.000 1.081 285 L CA 2.357 57.316 54.840 0.198 0.000 0.752 285 L CB -0.904 41.215 42.059 0.100 0.000 0.896 285 L HN 0.861 nan 8.230 nan 0.000 0.433 286 Q N -0.847 119.018 119.800 0.108 0.000 2.124 286 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 286 Q C 2.374 178.379 176.000 0.009 0.000 0.977 286 Q CA 1.849 57.678 55.803 0.043 0.000 0.850 286 Q CB -0.496 28.253 28.738 0.020 0.000 0.901 286 Q HN 0.496 nan 8.270 nan 0.000 0.429 287 S N -0.218 115.508 115.700 0.042 0.000 2.383 287 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 287 S C 1.396 175.884 174.600 -0.186 0.000 1.026 287 S CA 0.834 59.013 58.200 -0.035 0.000 0.981 287 S CB -0.260 62.969 63.200 0.049 0.000 0.818 287 S HN 0.310 nan 8.310 nan 0.000 0.472 288 F N 1.789 121.724 119.950 -0.026 0.000 2.325 288 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 288 F C 2.435 178.165 175.800 -0.117 0.000 1.090 288 F CA 0.657 58.606 58.000 -0.084 0.000 1.392 288 F CB -0.219 38.750 39.000 -0.051 0.000 1.053 288 F HN 0.084 nan 8.300 nan 0.000 0.521 289 R N 0.203 120.722 120.500 0.033 0.000 2.073 289 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 289 R C 1.852 178.076 176.300 -0.126 0.000 1.134 289 R CA 2.116 58.194 56.100 -0.035 0.000 0.952 289 R CB -0.778 29.500 30.300 -0.037 0.000 0.850 289 R HN 0.163 nan 8.270 nan 0.000 0.433 290 T N 2.117 116.528 114.554 -0.238 0.000 2.777 290 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 290 T C 1.747 176.209 174.700 -0.396 0.000 1.040 290 T CA 1.217 63.062 62.100 -0.424 0.000 1.141 290 T CB -0.257 68.130 68.868 -0.802 0.000 0.868 290 T HN 0.162 nan 8.240 nan 0.000 0.444 291 L N 1.585 122.609 121.223 -0.332 0.000 2.046 291 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 291 L C 2.627 179.419 176.870 -0.130 0.000 1.077 291 L CA 1.886 56.615 54.840 -0.184 0.000 0.747 291 L CB -1.080 40.725 42.059 -0.424 0.000 0.896 291 L HN 0.229 nan 8.230 nan 0.000 0.432 292 A N -0.936 121.823 122.820 -0.101 0.000 1.940 292 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 292 A C 2.135 179.683 177.584 -0.060 0.000 1.176 292 A CA 1.818 53.817 52.037 -0.063 0.000 0.631 292 A CB -0.662 18.316 19.000 -0.037 0.000 0.814 292 A HN 0.625 nan 8.150 nan 0.000 0.446 293 E N -0.461 119.695 120.200 -0.072 0.000 2.478 293 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 293 E C 1.808 178.392 176.600 -0.027 0.000 1.046 293 E CA 1.029 57.396 56.400 -0.054 0.000 0.870 293 E CB -0.221 29.437 29.700 -0.071 0.000 0.818 293 E HN 0.879 nan 8.360 nan 0.000 0.527 294 T N -3.282 111.265 114.554 -0.011 0.000 3.055 294 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 294 T C 1.632 176.353 174.700 0.035 0.000 1.111 294 T CA 0.648 62.775 62.100 0.044 0.000 1.118 294 T CB 0.299 69.235 68.868 0.114 0.000 0.909 294 T HN 0.248 nan 8.240 nan 0.000 0.501 295 G N 1.987 110.788 108.800 0.003 0.000 2.176 295 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 295 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 295 G C 0.156 175.053 174.900 -0.005 0.000 0.986 295 G CA -0.142 44.958 45.100 0.000 0.000 0.643 295 G HN 1.080 nan 8.290 nan 0.000 0.522 296 I N -1.678 118.882 120.570 -0.017 0.000 2.892 296 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 296 I C 1.151 177.231 176.117 -0.060 0.000 1.205 296 I CA 0.151 61.431 61.300 -0.034 0.000 1.409 296 I CB 0.434 38.378 38.000 -0.093 0.000 1.367 296 I HN -0.023 nan 8.210 nan 0.000 0.597 297 D N 4.514 124.874 120.400 -0.067 0.000 2.123 297 D HA 0.100 4.740 4.640 -0.000 0.000 0.200 297 D C 0.521 176.743 176.300 -0.130 0.000 0.976 297 D CA 1.698 55.646 54.000 -0.086 0.000 0.831 297 D CB 0.278 41.032 40.800 -0.076 0.000 0.974 297 D HN 0.477 nan 8.370 nan 0.000 0.469 298 I N 0.742 121.203 120.570 -0.182 0.000 2.569 298 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 298 I C -0.464 175.546 176.117 -0.177 0.000 1.088 298 I CA -0.507 60.663 61.300 -0.217 0.000 1.047 298 I CB 2.482 40.267 38.000 -0.359 0.000 1.237 298 I HN -0.303 nan 8.210 nan 0.000 0.421 299 M N 5.319 124.854 119.600 -0.109 0.000 2.264 299 M HA 0.378 4.858 4.480 -0.000 0.000 0.352 299 M C -0.558 175.746 176.300 0.007 0.000 1.173 299 M CA -0.319 54.977 55.300 -0.006 0.000 1.075 299 M CB 1.394 34.054 32.600 0.100 0.000 1.621 299 M HN 0.499 nan 8.290 nan 0.000 0.457 300 Q N 3.327 123.184 119.800 0.095 0.000 2.773 300 Q HA 0.296 4.636 4.340 -0.000 0.000 0.373 300 Q C -2.394 173.715 176.000 0.182 0.000 0.940 300 Q CA -1.736 54.131 55.803 0.106 0.000 1.015 300 Q CB 0.444 29.249 28.738 0.111 0.000 1.349 300 Q HN 0.358 nan 8.270 nan 0.000 0.413 301 P HA -0.094 nan 4.420 nan 0.000 0.269 301 P C -0.596 176.755 177.300 0.085 0.000 1.209 301 P CA 0.156 63.357 63.100 0.169 0.000 0.776 301 P CB 1.110 32.702 31.700 -0.180 0.000 0.876 302 D N 1.830 122.262 120.400 0.053 0.000 2.249 302 D HA 0.068 4.708 4.640 -0.000 0.000 0.246 302 D C 1.303 177.575 176.300 -0.047 0.000 1.114 302 D CA -0.539 53.382 54.000 -0.132 0.000 0.854 302 D CB 1.564 41.923 40.800 -0.735 0.000 1.132 302 D HN -0.028 nan 8.370 nan 0.000 0.461 303 V N 3.960 123.861 119.914 -0.022 0.000 2.469 303 V HA -0.145 3.975 4.120 -0.000 0.000 0.251 303 V C 2.257 178.356 176.094 0.007 0.000 1.064 303 V CA 2.067 64.374 62.300 0.012 0.000 1.066 303 V CB -0.510 31.333 31.823 0.033 0.000 0.667 303 V HN 0.760 nan 8.190 nan 0.000 0.461 304 G N -2.283 106.492 108.800 -0.042 0.000 2.985 304 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.209 304 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.209 304 G C 0.920 176.029 174.900 0.348 0.000 1.165 304 G CA 0.061 45.181 45.100 0.032 0.000 0.776 304 G HN 0.571 nan 8.290 nan 0.000 0.541 305 W N -0.910 120.454 121.300 0.106 0.000 2.942 305 W HA 0.187 4.847 4.660 -0.000 0.000 0.260 305 W C 2.217 178.813 176.519 0.129 0.000 1.101 305 W CA -0.481 56.929 57.345 0.107 0.000 1.436 305 W CB -1.217 28.305 29.460 0.103 0.000 0.883 305 W HN 0.246 nan 8.180 nan 0.000 0.646 306 C N -0.114 119.397 119.300 0.352 0.000 2.481 306 C HA 0.566 5.026 4.460 -0.000 0.000 0.275 306 C C 1.928 177.076 174.990 0.262 0.000 1.419 306 C CA 1.119 60.335 59.018 0.329 0.000 1.773 306 C CB -0.800 27.065 27.740 0.209 0.000 1.862 306 C HN 0.500 nan 8.230 nan 0.000 0.530 307 G N -1.035 107.902 108.800 0.228 0.000 2.672 307 G HA2 0.460 4.420 3.960 -0.000 0.000 0.197 307 G HA3 0.460 4.420 3.960 -0.000 0.000 0.197 307 G C 0.644 175.718 174.900 0.290 0.000 0.995 307 G CA 0.457 45.712 45.100 0.258 0.000 0.754 307 G HN 2.195 nan 8.290 nan 0.000 0.505 308 G N -1.024 107.878 108.800 0.170 0.000 2.422 308 G HA2 0.239 4.199 3.960 -0.000 0.000 0.607 308 G HA3 0.239 4.199 3.960 -0.000 0.000 0.607 308 G C 0.519 175.455 174.900 0.061 0.000 1.270 308 G CA 0.023 45.194 45.100 0.119 0.000 0.992 308 G HN 1.429 nan 8.290 nan 0.000 0.499 309 L N 0.180 121.443 121.223 0.066 0.000 2.046 309 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 309 L C 2.966 179.807 176.870 -0.049 0.000 1.077 309 L CA 3.551 58.376 54.840 -0.025 0.000 0.747 309 L CB -1.016 40.931 42.059 -0.187 0.000 0.896 309 L HN 0.829 nan 8.230 nan 0.000 0.432 310 T N -0.912 113.654 114.554 0.020 0.000 2.699 310 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 310 T C 1.696 176.339 174.700 -0.095 0.000 1.036 310 T CA 2.114 64.194 62.100 -0.034 0.000 1.147 310 T CB -0.514 68.164 68.868 -0.316 0.000 0.862 310 T HN 0.470 nan 8.240 nan 0.000 0.446 311 T N 2.025 116.521 114.554 -0.096 0.000 2.812 311 T HA 0.052 4.402 4.350 -0.000 0.000 0.264 311 T C 1.897 176.559 174.700 -0.064 0.000 1.042 311 T CA 0.598 62.694 62.100 -0.007 0.000 1.140 311 T CB -0.418 68.511 68.868 0.101 0.000 0.870 311 T HN 0.136 nan 8.240 nan 0.000 0.445 312 L N 1.717 122.911 121.223 -0.050 0.000 2.012 312 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 312 L C 2.365 179.206 176.870 -0.049 0.000 1.073 312 L CA 1.607 56.413 54.840 -0.057 0.000 0.748 312 L CB -0.795 41.292 42.059 0.046 0.000 0.891 312 L HN 0.073 nan 8.230 nan 0.000 0.431 313 V N -0.165 119.765 119.914 0.026 0.000 2.490 313 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 313 V C 2.479 178.484 176.094 -0.148 0.000 1.061 313 V CA 2.061 64.363 62.300 0.003 0.000 1.064 313 V CB -0.746 31.118 31.823 0.068 0.000 0.670 313 V HN 0.542 nan 8.190 nan 0.000 0.461 314 E N -0.029 120.109 120.200 -0.104 0.000 2.072 314 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 314 E C 2.196 178.699 176.600 -0.161 0.000 0.982 314 E CA 1.237 57.576 56.400 -0.102 0.000 0.803 314 E CB -0.173 29.501 29.700 -0.043 0.000 0.755 314 E HN 0.545 nan 8.360 nan 0.000 0.453 315 I N 1.432 121.872 120.570 -0.216 0.000 2.286 315 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 315 I C 2.567 178.501 176.117 -0.304 0.000 1.115 315 I CA 0.901 62.030 61.300 -0.284 0.000 1.392 315 I CB -0.322 37.374 38.000 -0.508 0.000 1.065 315 I HN 0.080 nan 8.210 nan 0.000 0.418 316 A N 0.796 123.363 122.820 -0.422 0.000 1.902 316 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 316 A C 2.548 179.879 177.584 -0.421 0.000 1.181 316 A CA 1.892 53.570 52.037 -0.598 0.000 0.623 316 A CB -0.769 17.394 19.000 -1.395 0.000 0.818 316 A HN 0.434 nan 8.150 nan 0.000 0.443 317 A N -0.496 122.128 122.820 -0.327 0.000 1.898 317 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 317 A C 2.116 179.610 177.584 -0.151 0.000 1.181 317 A CA 1.648 53.561 52.037 -0.206 0.000 0.620 317 A CB -0.609 18.304 19.000 -0.145 0.000 0.819 317 A HN 0.739 nan 8.150 nan 0.000 0.442 318 L N 0.023 121.162 121.223 -0.140 0.000 1.989 318 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 318 L C 2.617 179.428 176.870 -0.100 0.000 1.071 318 L CA 2.489 57.271 54.840 -0.096 0.000 0.749 318 L CB -0.975 41.041 42.059 -0.073 0.000 0.890 318 L HN 0.326 nan 8.230 nan 0.000 0.431 319 A N -0.579 122.163 122.820 -0.130 0.000 1.902 319 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 319 A C 2.479 179.994 177.584 -0.116 0.000 1.181 319 A CA 2.021 53.985 52.037 -0.121 0.000 0.623 319 A CB -0.705 18.206 19.000 -0.149 0.000 0.818 319 A HN 0.547 nan 8.150 nan 0.000 0.443 320 K N 0.390 120.706 120.400 -0.140 0.000 2.097 320 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 320 K C 2.251 178.801 176.600 -0.083 0.000 1.049 320 K CA 1.799 58.017 56.287 -0.116 0.000 0.933 320 K CB -0.217 32.202 32.500 -0.136 0.000 0.717 320 K HN 0.610 nan 8.250 nan 0.000 0.442 321 S N 0.321 115.973 115.700 -0.080 0.000 2.419 321 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 321 S C 1.624 176.194 174.600 -0.050 0.000 1.016 321 S CA 0.807 58.972 58.200 -0.058 0.000 0.974 321 S CB -0.219 62.948 63.200 -0.055 0.000 0.786 321 S HN 0.357 nan 8.310 nan 0.000 0.492 322 R N 0.571 121.037 120.500 -0.056 0.000 2.359 322 R HA 0.318 4.658 4.340 -0.000 0.000 0.231 322 R C 1.323 177.596 176.300 -0.046 0.000 0.913 322 R CA 0.345 56.417 56.100 -0.047 0.000 1.075 322 R CB -0.050 30.221 30.300 -0.049 0.000 1.087 322 R HN 0.547 nan 8.270 nan 0.000 0.515 323 G N 1.541 110.311 108.800 -0.050 0.000 2.176 323 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.252 323 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.252 323 G C -0.130 174.739 174.900 -0.052 0.000 1.024 323 G CA 0.210 45.283 45.100 -0.045 0.000 0.755 323 G HN 0.363 nan 8.290 nan 0.000 0.507 324 Q N -1.262 118.498 119.800 -0.067 0.000 2.333 324 Q HA 0.806 5.146 4.340 -0.000 0.000 0.266 324 Q C 0.388 176.327 176.000 -0.102 0.000 1.053 324 Q CA -1.024 54.733 55.803 -0.078 0.000 0.890 324 Q CB 1.553 30.244 28.738 -0.079 0.000 1.337 324 Q HN 0.312 nan 8.270 nan 0.000 0.474 325 L N 0.327 121.478 121.223 -0.119 0.000 2.352 325 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 325 L C -0.673 176.091 176.870 -0.176 0.000 1.034 325 L CA -1.070 53.676 54.840 -0.156 0.000 0.806 325 L CB 1.422 43.369 42.059 -0.187 0.000 1.244 325 L HN 0.249 nan 8.230 nan 0.000 0.447 326 V N 2.317 122.120 119.914 -0.185 0.000 2.483 326 V HA 0.394 4.514 4.120 -0.000 0.000 0.297 326 V C -0.457 175.546 176.094 -0.151 0.000 1.027 326 V CA -0.507 61.696 62.300 -0.161 0.000 0.855 326 V CB 2.188 33.907 31.823 -0.173 0.000 0.995 326 V HN 0.437 nan 8.190 nan 0.000 0.424 327 V N 7.099 126.929 119.914 -0.140 0.000 2.385 327 V HA 0.339 4.459 4.120 -0.000 0.000 0.277 327 V C -2.456 173.652 176.094 0.023 0.000 1.012 327 V CA -1.820 60.420 62.300 -0.100 0.000 0.832 327 V CB 1.614 33.340 31.823 -0.162 0.000 1.028 327 V HN 0.693 nan 8.190 nan 0.000 0.436 328 P HA -0.012 nan 4.420 nan 0.000 0.267 328 P C -0.325 177.039 177.300 0.106 0.000 1.201 328 P CA 0.166 63.310 63.100 0.073 0.000 0.775 328 P CB 0.292 32.030 31.700 0.063 0.000 0.854 329 H N 2.434 121.492 119.070 -0.020 0.000 2.668 329 H HA 0.241 4.797 4.556 -0.000 0.000 0.303 329 H C 1.313 176.532 175.328 -0.181 0.000 1.074 329 H CA 0.764 56.766 56.048 -0.077 0.000 1.406 329 H CB -0.115 29.562 29.762 -0.140 0.000 1.442 329 H HN 0.706 nan 8.280 nan 0.000 0.482 330 G N 4.167 112.617 108.800 -0.583 0.000 2.698 330 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.337 330 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.337 330 G C 0.795 175.608 174.900 -0.144 0.000 1.286 330 G CA 1.955 46.772 45.100 -0.472 0.000 1.000 330 G HN 1.229 nan 8.290 nan 0.000 0.547 331 S N -1.870 113.833 115.700 0.006 0.000 2.691 331 S HA -0.246 4.224 4.470 -0.000 0.000 0.262 331 S C 1.719 176.336 174.600 0.028 0.000 1.284 331 S CA 2.034 60.340 58.200 0.177 0.000 1.372 331 S CB -1.737 61.538 63.200 0.124 0.000 1.693 331 S HN 2.710 nan 8.310 nan 0.000 0.647 332 S N -0.382 115.138 115.700 -0.301 0.000 3.711 332 S HA -0.371 4.099 4.470 -0.000 0.000 0.625 332 S C 1.478 175.498 174.600 -0.966 0.000 2.458 332 S CA 3.420 61.315 58.200 -0.508 0.000 4.059 332 S CB -1.319 61.717 63.200 -0.273 0.000 0.257 332 S HN 1.810 nan 8.310 nan 0.000 0.974 333 V N 0.065 119.618 119.914 -0.602 0.000 2.568 333 V HA -0.105 4.015 4.120 -0.000 0.000 0.253 333 V C 1.957 177.906 176.094 -0.241 0.000 1.072 333 V CA 2.676 64.791 62.300 -0.309 0.000 1.084 333 V CB -1.621 30.127 31.823 -0.126 0.000 0.676 333 V HN 0.739 nan 8.190 nan 0.000 0.469 334 Y N 1.226 121.386 120.300 -0.234 0.000 2.352 334 Y HA -0.034 4.516 4.550 -0.000 0.000 0.292 334 Y C 3.082 178.915 175.900 -0.112 0.000 1.136 334 Y CA 1.358 59.194 58.100 -0.439 0.000 1.227 334 Y CB -0.880 37.298 38.460 -0.470 0.000 0.991 334 Y HN 0.405 nan 8.280 nan 0.000 0.545 335 S N -1.302 114.387 115.700 -0.018 0.000 2.412 335 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 335 S C 1.678 176.313 174.600 0.058 0.000 1.048 335 S CA 0.660 58.869 58.200 0.015 0.000 0.954 335 S CB -0.472 62.737 63.200 0.015 0.000 0.840 335 S HN 0.594 nan 8.310 nan 0.000 0.503 336 H N 0.270 119.381 119.070 0.069 0.000 2.289 336 H HA -0.131 4.425 4.556 -0.000 0.000 0.294 336 H C 2.103 177.365 175.328 -0.110 0.000 1.095 336 H CA 2.001 58.041 56.048 -0.014 0.000 1.256 336 H CB -0.378 29.398 29.762 0.024 0.000 1.359 336 H HN 0.491 nan 8.280 nan 0.000 0.487 337 H N -0.177 118.985 119.070 0.153 0.000 2.456 337 H HA -0.028 4.528 4.556 -0.000 0.000 0.296 337 H C 2.243 177.530 175.328 -0.069 0.000 1.079 337 H CA 0.850 56.961 56.048 0.105 0.000 1.322 337 H CB 0.136 30.024 29.762 0.209 0.000 1.388 337 H HN 0.472 nan 8.280 nan 0.000 0.538 338 A N 0.736 123.508 122.820 -0.080 0.000 1.862 338 A HA -0.055 4.265 4.320 -0.000 0.000 0.211 338 A C 2.629 179.551 177.584 -1.102 0.000 1.220 338 A CA 1.174 52.911 52.037 -0.499 0.000 0.616 338 A CB -0.868 17.926 19.000 -0.343 0.000 0.878 338 A HN 0.254 nan 8.150 nan 0.000 0.453 339 V N -1.414 118.057 119.914 -0.738 0.000 2.720 339 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 339 V C 2.083 177.943 176.094 -0.389 0.000 1.082 339 V CA 1.872 63.813 62.300 -0.598 0.000 1.101 339 V CB -0.815 30.901 31.823 -0.178 0.000 0.693 339 V HN 0.467 nan 8.190 nan 0.000 0.479 340 I N 1.963 122.327 120.570 -0.343 0.000 2.916 340 I HA -0.129 4.041 4.170 -0.000 0.000 0.267 340 I C 2.164 178.149 176.117 -0.220 0.000 1.263 340 I CA 1.647 62.775 61.300 -0.287 0.000 1.471 340 I CB 0.005 37.772 38.000 -0.388 0.000 1.089 340 I HN 0.656 nan 8.210 nan 0.000 0.468 341 T N -2.662 111.734 114.554 -0.262 0.000 3.054 341 T HA 0.166 4.516 4.350 -0.000 0.000 0.255 341 T C 0.262 175.015 174.700 0.088 0.000 1.035 341 T CA -0.338 61.705 62.100 -0.096 0.000 0.941 341 T CB -0.228 68.597 68.868 -0.071 0.000 1.026 341 T HN -0.054 nan 8.240 nan 0.000 0.533 342 F N 3.520 123.438 119.950 -0.054 0.000 2.405 342 F HA 0.407 4.934 4.527 -0.000 0.000 0.355 342 F C 1.934 177.693 175.800 -0.068 0.000 1.121 342 F CA -1.734 56.228 58.000 -0.064 0.000 1.112 342 F CB 1.173 40.123 39.000 -0.082 0.000 1.126 342 F HN 0.162 nan 8.300 nan 0.000 0.481 343 T N -1.745 112.886 114.554 0.128 0.000 2.915 343 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 343 T C 0.999 175.710 174.700 0.018 0.000 1.071 343 T CA 1.191 63.319 62.100 0.047 0.000 1.132 343 T CB -0.319 68.562 68.868 0.022 0.000 0.878 343 T HN 0.496 nan 8.240 nan 0.000 0.479 344 N N 0.818 119.519 118.700 0.000 0.000 2.327 344 N HA 0.075 4.815 4.740 -0.000 0.000 0.231 344 N C -0.637 174.825 175.510 -0.080 0.000 1.130 344 N CA -0.320 52.697 53.050 -0.055 0.000 0.845 344 N CB 0.093 38.520 38.487 -0.101 0.000 1.073 344 N HN 0.245 nan 8.380 nan 0.000 0.496 345 T N 2.079 116.612 114.554 -0.036 0.000 3.410 345 T HA 0.253 4.603 4.350 -0.000 0.000 0.328 345 T C -1.966 172.646 174.700 -0.147 0.000 1.567 345 T CA -0.896 61.135 62.100 -0.115 0.000 1.626 345 T CB 1.902 70.793 68.868 0.039 0.000 0.939 345 T HN 0.093 nan 8.240 nan 0.000 0.656 346 P HA 0.025 nan 4.420 nan 0.000 0.230 346 P C -0.011 177.379 177.300 0.149 0.000 1.158 346 P CA 0.651 63.759 63.100 0.013 0.000 0.769 346 P CB -0.127 31.661 31.700 0.146 0.000 0.807 347 F N -3.512 116.492 119.950 0.089 0.000 2.713 347 F HA 0.719 5.246 4.527 -0.000 0.000 0.311 347 F C -0.797 175.037 175.800 0.056 0.000 1.141 347 F CA -1.295 56.750 58.000 0.076 0.000 0.939 347 F CB 0.507 39.686 39.000 0.298 0.000 1.325 347 F HN -0.448 nan 8.300 nan 0.000 0.453 348 S N -0.503 115.278 115.700 0.134 0.000 2.704 348 S HA 0.505 4.975 4.470 -0.000 0.000 0.296 348 S C -1.571 173.141 174.600 0.186 0.000 1.138 348 S CA -0.921 57.306 58.200 0.044 0.000 0.875 348 S CB 2.162 65.172 63.200 -0.317 0.000 1.151 348 S HN 0.816 nan 8.310 nan 0.000 0.500 349 E N 0.382 120.645 120.200 0.104 0.000 2.204 349 E HA 0.486 4.836 4.350 -0.000 0.000 0.276 349 E C -1.807 174.852 176.600 0.098 0.000 0.974 349 E CA -0.496 55.710 56.400 -0.324 0.000 0.815 349 E CB 0.864 30.354 29.700 -0.351 0.000 1.119 349 E HN 0.452 nan 8.360 nan 0.000 0.393 350 F N 5.928 125.748 119.950 -0.217 0.000 2.500 350 F HA 0.315 4.842 4.527 -0.000 0.000 0.349 350 F C -1.592 174.040 175.800 -0.280 0.000 1.127 350 F CA -1.081 56.798 58.000 -0.201 0.000 0.998 350 F CB 0.997 39.863 39.000 -0.224 0.000 1.237 350 F HN 0.405 nan 8.300 nan 0.000 0.439 351 L N 7.387 128.185 121.223 -0.707 0.000 2.283 351 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 351 L C -0.296 176.296 176.870 -0.463 0.000 1.073 351 L CA -0.314 54.251 54.840 -0.458 0.000 0.822 351 L CB 0.390 42.183 42.059 -0.444 0.000 1.186 351 L HN 0.514 nan 8.230 nan 0.000 0.436 352 M N 4.503 123.997 119.600 -0.177 0.000 2.408 352 M HA -0.011 4.469 4.480 -0.000 0.000 0.363 352 M C 1.242 177.760 176.300 0.364 0.000 1.636 352 M CA 0.615 55.940 55.300 0.041 0.000 1.029 352 M CB 0.026 32.605 32.600 -0.034 0.000 2.068 352 M HN 0.792 nan 8.290 nan 0.000 0.466 353 T N -1.308 113.376 114.554 0.216 0.000 3.060 353 T HA 0.055 4.405 4.350 -0.000 0.000 0.249 353 T C 0.924 175.872 174.700 0.413 0.000 1.079 353 T CA -0.135 62.164 62.100 0.332 0.000 1.013 353 T CB 0.136 69.103 68.868 0.164 0.000 0.975 353 T HN 0.585 nan 8.240 nan 0.000 0.518 354 S N 2.825 118.689 115.700 0.273 0.000 2.516 354 S HA 0.204 4.674 4.470 -0.000 0.000 0.282 354 S C -1.474 173.126 174.600 -0.001 0.000 1.286 354 S CA -1.248 57.038 58.200 0.145 0.000 1.066 354 S CB 0.895 64.167 63.200 0.120 0.000 0.884 354 S HN 0.030 nan 8.310 nan 0.000 0.491 355 P HA -0.146 nan 4.420 nan 0.000 0.216 355 P C 0.508 177.728 177.300 -0.133 0.000 1.154 355 P CA 1.419 64.187 63.100 -0.553 0.000 0.865 355 P CB 0.022 31.598 31.700 -0.207 0.000 0.789 356 D N -3.019 117.368 120.400 -0.021 0.000 2.462 356 D HA 0.043 4.683 4.640 -0.000 0.000 0.221 356 D C -0.136 176.150 176.300 -0.023 0.000 1.173 356 D CA -0.588 53.423 54.000 0.018 0.000 0.831 356 D CB -1.276 39.529 40.800 0.009 0.000 1.001 356 D HN 0.072 nan 8.370 nan 0.000 0.499 357 C N 0.913 120.190 119.300 -0.038 0.000 4.356 357 C HA -0.157 4.303 4.460 -0.000 0.000 0.296 357 C C 1.879 176.844 174.990 -0.043 0.000 1.424 357 C CA 0.945 59.900 59.018 -0.106 0.000 2.000 357 C CB -3.315 24.240 27.740 -0.308 0.000 1.262 357 C HN 0.622 nan 8.230 nan 0.000 0.789 358 S N -1.473 114.226 115.700 -0.001 0.000 2.512 358 S HA 0.299 4.769 4.470 -0.000 0.000 0.216 358 S C 0.450 175.070 174.600 0.032 0.000 1.006 358 S CA 0.797 59.002 58.200 0.008 0.000 0.915 358 S CB 0.381 63.583 63.200 0.003 0.000 0.824 358 S HN 1.101 nan 8.310 nan 0.000 0.497 359 T N -0.886 113.702 114.554 0.057 0.000 2.887 359 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 359 T C -0.317 174.455 174.700 0.121 0.000 1.087 359 T CA -0.990 61.151 62.100 0.070 0.000 1.009 359 T CB 1.088 69.992 68.868 0.060 0.000 1.203 359 T HN 0.114 nan 8.240 nan 0.000 0.518 360 L N 1.268 122.550 121.223 0.098 0.000 2.934 360 L HA 0.355 4.695 4.340 -0.000 0.000 0.233 360 L C 1.260 178.246 176.870 0.192 0.000 1.358 360 L CA -0.628 54.287 54.840 0.125 0.000 1.233 360 L CB -0.422 41.616 42.059 -0.035 0.000 1.594 360 L HN 0.574 nan 8.230 nan 0.000 0.439 361 R N 2.941 123.573 120.500 0.219 0.000 2.538 361 R HA 0.103 4.443 4.340 -0.000 0.000 0.282 361 R C -2.052 174.405 176.300 0.263 0.000 1.009 361 R CA -1.196 55.020 56.100 0.193 0.000 1.063 361 R CB 0.518 30.920 30.300 0.170 0.000 0.945 361 R HN 0.034 nan 8.270 nan 0.000 0.414 362 P HA -0.096 nan 4.420 nan 0.000 0.266 362 P C -0.266 177.101 177.300 0.111 0.000 1.193 362 P CA 0.101 63.329 63.100 0.213 0.000 0.770 362 P CB 0.738 32.535 31.700 0.162 0.000 0.836 363 Q N 1.954 121.754 119.800 -0.000 0.000 2.133 363 Q HA -0.172 4.168 4.340 -0.000 0.000 0.208 363 Q C 0.580 176.404 176.000 -0.294 0.000 0.991 363 Q CA 2.172 57.779 55.803 -0.326 0.000 0.867 363 Q CB -0.532 27.894 28.738 -0.519 0.000 0.911 363 Q HN 0.463 nan 8.270 nan 0.000 0.417 364 F N 0.152 120.132 119.950 0.050 0.000 2.772 364 F HA 0.269 4.796 4.527 -0.000 0.000 0.302 364 F C -0.341 175.490 175.800 0.052 0.000 1.136 364 F CA -1.284 56.730 58.000 0.024 0.000 1.322 364 F CB -0.224 38.797 39.000 0.035 0.000 0.967 364 F HN -0.032 nan 8.300 nan 0.000 0.513 365 D N 2.799 123.322 120.400 0.205 0.000 2.533 365 D HA -0.016 4.624 4.640 -0.000 0.000 0.236 365 D C -1.791 174.594 176.300 0.143 0.000 1.137 365 D CA -0.620 53.476 54.000 0.160 0.000 0.867 365 D CB 1.012 41.893 40.800 0.135 0.000 1.170 365 D HN 0.050 nan 8.370 nan 0.000 0.474 366 P HA 0.137 nan 4.420 nan 0.000 0.290 366 P C 0.861 178.220 177.300 0.097 0.000 1.519 366 P CA -0.267 62.895 63.100 0.104 0.000 1.189 366 P CB 0.218 31.963 31.700 0.076 0.000 1.569 367 I N -0.116 120.522 120.570 0.114 0.000 2.614 367 I HA -0.040 4.130 4.170 -0.000 0.000 0.258 367 I C 0.242 176.439 176.117 0.132 0.000 1.189 367 I CA 0.971 62.327 61.300 0.093 0.000 1.462 367 I CB -0.217 37.834 38.000 0.085 0.000 1.092 367 I HN -0.141 nan 8.210 nan 0.000 0.442 368 L N 1.148 122.485 121.223 0.190 0.000 2.287 368 L HA 0.364 4.704 4.340 -0.000 0.000 0.287 368 L C -0.464 176.510 176.870 0.173 0.000 1.022 368 L CA -0.269 54.713 54.840 0.237 0.000 0.814 368 L CB 1.126 43.352 42.059 0.278 0.000 1.217 368 L HN -0.075 nan 8.230 nan 0.000 0.420 369 L N 4.146 125.462 121.223 0.155 0.000 2.349 369 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 369 L C 0.294 177.240 176.870 0.126 0.000 1.115 369 L CA -0.417 54.489 54.840 0.110 0.000 0.820 369 L CB 0.336 42.439 42.059 0.074 0.000 1.135 369 L HN 0.659 nan 8.230 nan 0.000 0.445 370 D N 1.217 121.678 120.400 0.101 0.000 2.772 370 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 370 D C 0.306 176.675 176.300 0.114 0.000 1.143 370 D CA 0.872 54.930 54.000 0.097 0.000 0.700 370 D CB -0.559 40.297 40.800 0.094 0.000 1.076 370 D HN 0.678 nan 8.370 nan 0.000 0.430 371 E N 1.384 121.659 120.200 0.124 0.000 2.299 371 E HA 0.171 4.521 4.350 -0.000 0.000 0.272 371 E C -1.931 174.741 176.600 0.119 0.000 1.043 371 E CA -1.288 55.195 56.400 0.138 0.000 0.895 371 E CB 0.821 30.617 29.700 0.160 0.000 1.011 371 E HN 0.030 nan 8.360 nan 0.000 0.432 372 P HA 0.029 nan 4.420 nan 0.000 0.272 372 P C -0.741 176.600 177.300 0.068 0.000 1.223 372 P CA -0.265 62.886 63.100 0.084 0.000 0.784 372 P CB 1.030 32.784 31.700 0.090 0.000 0.923 373 V N -1.600 118.296 119.914 -0.029 0.000 2.962 373 V HA 0.613 4.733 4.120 -0.000 0.000 0.313 373 V C -2.879 173.030 176.094 -0.308 0.000 1.099 373 V CA -3.070 59.144 62.300 -0.143 0.000 0.971 373 V CB 1.151 32.912 31.823 -0.104 0.000 1.028 373 V HN 0.278 nan 8.190 nan 0.000 0.430 374 P HA 0.301 nan 4.420 nan 0.000 0.266 374 P C -0.832 176.219 177.300 -0.415 0.000 1.195 374 P CA 0.080 62.841 63.100 -0.564 0.000 0.768 374 P CB 0.767 31.942 31.700 -0.874 0.000 0.838 375 V N 3.923 123.659 119.914 -0.298 0.000 2.378 375 V HA 0.261 4.381 4.120 -0.000 0.000 0.288 375 V C 0.599 176.544 176.094 -0.248 0.000 1.016 375 V CA -0.367 61.794 62.300 -0.233 0.000 0.840 375 V CB 0.678 32.413 31.823 -0.147 0.000 0.994 375 V HN 0.761 nan 8.190 nan 0.000 0.431 376 N N 4.307 122.839 118.700 -0.279 0.000 2.735 376 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 376 N C 0.973 176.268 175.510 -0.358 0.000 1.083 376 N CA 1.738 54.628 53.050 -0.266 0.000 0.703 376 N CB -1.026 37.361 38.487 -0.166 0.000 1.005 376 N HN 1.679 nan 8.380 nan 0.000 0.550 377 G N -1.272 107.147 108.800 -0.635 0.000 2.153 377 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.252 377 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.252 377 G C 0.123 174.881 174.900 -0.236 0.000 0.994 377 G CA 0.865 45.478 45.100 -0.812 0.000 0.698 377 G HN 0.784 nan 8.290 nan 0.000 0.521 378 R N -1.308 119.099 120.500 -0.156 0.000 2.774 378 R HA 0.779 5.119 4.340 -0.000 0.000 0.272 378 R C -0.669 175.643 176.300 0.020 0.000 1.000 378 R CA -0.957 55.171 56.100 0.047 0.000 0.906 378 R CB 1.677 31.965 30.300 -0.019 0.000 1.227 378 R HN 0.135 nan 8.270 nan 0.000 0.468 379 I N 1.578 122.206 120.570 0.097 0.000 2.439 379 I HA 0.224 4.394 4.170 -0.000 0.000 0.283 379 I C -0.312 175.781 176.117 -0.041 0.000 1.023 379 I CA -0.691 60.610 61.300 0.001 0.000 1.100 379 I CB 1.457 39.432 38.000 -0.043 0.000 1.238 379 I HN 0.498 nan 8.210 nan 0.000 0.445 380 H N 6.850 125.858 119.070 -0.102 0.000 2.707 380 H HA 0.088 4.644 4.556 -0.000 0.000 0.359 380 H C 0.814 176.052 175.328 -0.151 0.000 1.113 380 H CA 0.374 56.355 56.048 -0.111 0.000 1.422 380 H CB 1.563 31.276 29.762 -0.082 0.000 1.443 380 H HN 0.684 nan 8.280 nan 0.000 0.591 381 K N 1.364 121.415 120.400 -0.582 0.000 2.211 381 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 381 K C 1.767 178.280 176.600 -0.145 0.000 1.047 381 K CA 1.693 57.700 56.287 -0.466 0.000 0.935 381 K CB -0.094 32.070 32.500 -0.560 0.000 0.728 381 K HN 0.464 nan 8.250 nan 0.000 0.452 382 S N 0.992 116.792 115.700 0.166 0.000 2.419 382 S HA -0.089 4.380 4.470 -0.000 0.000 0.233 382 S C 2.025 176.699 174.600 0.124 0.000 1.016 382 S CA 1.028 59.353 58.200 0.207 0.000 0.974 382 S CB -0.590 62.762 63.200 0.253 0.000 0.786 382 S HN 0.167 nan 8.310 nan 0.000 0.492 383 V N 1.799 121.766 119.914 0.089 0.000 2.626 383 V HA 0.003 4.123 4.120 -0.000 0.000 0.252 383 V C 2.047 178.182 176.094 0.068 0.000 1.067 383 V CA 1.350 63.684 62.300 0.056 0.000 1.081 383 V CB -0.782 31.055 31.823 0.024 0.000 0.686 383 V HN 0.548 nan 8.190 nan 0.000 0.468 384 L N -0.706 120.534 121.223 0.028 0.000 2.611 384 L HA 0.167 4.507 4.340 -0.000 0.000 0.229 384 L C 0.378 177.423 176.870 0.291 0.000 1.137 384 L CA 0.094 54.978 54.840 0.074 0.000 0.901 384 L CB -0.254 41.622 42.059 -0.305 0.000 1.098 384 L HN 0.207 nan 8.230 nan 0.000 0.456 385 D N 2.574 123.116 120.400 0.237 0.000 2.767 385 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 385 D C 0.135 176.524 176.300 0.149 0.000 1.105 385 D CA 0.570 54.702 54.000 0.220 0.000 1.024 385 D CB 0.144 41.042 40.800 0.164 0.000 1.123 385 D HN 0.282 nan 8.370 nan 0.000 0.470 386 K N 0.506 121.011 120.400 0.174 0.000 2.512 386 K HA 0.431 4.751 4.320 -0.000 0.000 0.263 386 K C -2.773 173.875 176.600 0.081 0.000 0.966 386 K CA -2.051 54.307 56.287 0.117 0.000 0.851 386 K CB 2.449 35.029 32.500 0.133 0.000 1.395 386 K HN -0.169 nan 8.250 nan 0.000 0.440 387 P HA -0.039 nan 4.420 nan 0.000 0.266 387 P C 0.479 177.741 177.300 -0.062 0.000 1.195 387 P CA 0.872 63.959 63.100 -0.022 0.000 0.768 387 P CB 0.556 32.254 31.700 -0.005 0.000 0.838 388 G N 2.314 111.017 108.800 -0.162 0.000 2.583 388 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.292 388 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.292 388 G C 0.344 174.890 174.900 -0.589 0.000 1.203 388 G CA 0.111 45.029 45.100 -0.303 0.000 0.987 388 G HN 0.424 nan 8.290 nan 0.000 0.554 389 F N 3.100 122.898 119.950 -0.253 0.000 2.692 389 F HA 0.426 4.953 4.527 -0.000 0.000 0.303 389 F C 2.187 177.897 175.800 -0.151 0.000 1.114 389 F CA 1.110 58.844 58.000 -0.445 0.000 1.361 389 F CB 0.248 39.082 39.000 -0.277 0.000 1.063 389 F HN 1.520 nan 8.300 nan 0.000 0.550 390 G N 0.821 109.663 108.800 0.070 0.000 2.166 390 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 390 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 390 G C 0.173 175.175 174.900 0.171 0.000 0.986 390 G CA 0.491 45.684 45.100 0.155 0.000 0.683 390 G HN 0.520 nan 8.290 nan 0.000 0.527 391 V N -4.517 115.509 119.914 0.187 0.000 3.155 391 V HA 0.966 5.086 4.120 -0.000 0.000 0.313 391 V C -0.222 176.106 176.094 0.390 0.000 1.162 391 V CA -1.389 61.054 62.300 0.239 0.000 1.048 391 V CB 2.091 34.049 31.823 0.224 0.000 1.092 391 V HN 0.240 nan 8.190 nan 0.000 0.447 392 E N 0.500 120.921 120.200 0.369 0.000 2.312 392 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 392 E C -1.596 175.062 176.600 0.098 0.000 0.894 392 E CA -1.070 55.510 56.400 0.300 0.000 0.773 392 E CB 2.631 32.402 29.700 0.119 0.000 1.241 392 E HN 0.709 nan 8.360 nan 0.000 0.432 393 L N 2.735 123.656 121.223 -0.503 0.000 2.360 393 L HA 0.169 4.509 4.340 -0.000 0.000 0.276 393 L C -0.229 176.459 176.870 -0.303 0.000 1.121 393 L CA -0.122 54.294 54.840 -0.706 0.000 0.845 393 L CB 0.236 41.583 42.059 -1.187 0.000 1.143 393 L HN 0.368 nan 8.230 nan 0.000 0.452 394 N N 4.404 123.004 118.700 -0.166 0.000 2.508 394 N HA 0.093 4.833 4.740 -0.000 0.000 0.253 394 N C 0.492 175.909 175.510 -0.156 0.000 1.145 394 N CA 0.261 53.247 53.050 -0.106 0.000 0.973 394 N CB 0.156 38.625 38.487 -0.031 0.000 1.305 394 N HN 0.617 nan 8.380 nan 0.000 0.506 395 R N 1.426 121.813 120.500 -0.187 0.000 2.328 395 R HA 0.036 4.376 4.340 -0.000 0.000 0.200 395 R C -0.015 176.200 176.300 -0.143 0.000 0.983 395 R CA 0.180 56.150 56.100 -0.216 0.000 1.062 395 R CB 0.391 30.543 30.300 -0.248 0.000 0.956 395 R HN 0.453 nan 8.270 nan 0.000 0.479 396 D N -0.061 120.281 120.400 -0.097 0.000 2.347 396 D HA -0.017 4.623 4.640 -0.000 0.000 0.213 396 D C 0.277 176.547 176.300 -0.049 0.000 0.985 396 D CA 0.398 54.358 54.000 -0.067 0.000 0.879 396 D CB 0.110 40.884 40.800 -0.044 0.000 0.919 396 D HN 0.139 nan 8.370 nan 0.000 0.526 397 C N 0.355 119.623 119.300 -0.052 0.000 2.604 397 C HA 0.092 4.551 4.460 -0.000 0.000 0.396 397 C C 1.284 176.278 174.990 0.005 0.000 1.282 397 C CA -0.671 58.336 59.018 -0.018 0.000 2.292 397 C CB -0.120 27.603 27.740 -0.028 0.000 2.633 397 C HN 0.369 nan 8.230 nan 0.000 0.620 398 H N 2.125 121.142 119.070 -0.089 0.000 2.998 398 H HA 0.263 4.819 4.556 -0.000 0.000 0.241 398 H C -0.441 174.798 175.328 -0.148 0.000 1.852 398 H CA -0.836 55.149 56.048 -0.105 0.000 1.419 398 H CB -0.296 29.419 29.762 -0.077 0.000 1.793 398 H HN 0.419 nan 8.280 nan 0.000 0.553 399 L N 4.023 125.215 121.223 -0.051 0.000 2.490 399 L HA 0.024 4.364 4.340 -0.000 0.000 0.274 399 L C 0.216 176.998 176.870 -0.146 0.000 1.201 399 L CA 0.708 55.447 54.840 -0.169 0.000 0.869 399 L CB 0.474 42.335 42.059 -0.330 0.000 1.123 399 L HN 0.442 nan 8.230 nan 0.000 0.484 400 K N 3.592 123.795 120.400 -0.329 0.000 2.207 400 K HA 0.436 4.756 4.320 -0.000 0.000 0.255 400 K C -0.438 176.136 176.600 -0.044 0.000 0.941 400 K CA -0.623 55.441 56.287 -0.371 0.000 0.825 400 K CB 1.969 33.874 32.500 -0.992 0.000 1.119 400 K HN 0.401 nan 8.250 nan 0.000 0.430 401 R N 4.219 124.753 120.500 0.056 0.000 2.396 401 R HA 0.192 4.532 4.340 -0.000 0.000 0.292 401 R C -1.548 174.731 176.300 -0.036 0.000 1.240 401 R CA -1.361 54.725 56.100 -0.023 0.000 1.270 401 R CB 0.609 30.856 30.300 -0.089 0.000 1.108 401 R HN 0.335 nan 8.270 nan 0.000 0.573 402 P HA -0.085 nan 4.420 nan 0.000 0.223 402 P C -0.698 176.252 177.300 -0.584 0.000 1.151 402 P CA 1.039 63.984 63.100 -0.258 0.000 0.787 402 P CB 0.311 31.873 31.700 -0.230 0.000 0.788 403 Y N -1.518 118.802 120.300 0.033 0.000 2.576 403 Y HA 0.548 5.098 4.550 -0.000 0.000 0.346 403 Y C 0.496 176.372 175.900 -0.039 0.000 1.018 403 Y CA -0.762 57.336 58.100 -0.004 0.000 1.050 403 Y CB 1.886 40.333 38.460 -0.022 0.000 1.280 403 Y HN -0.305 nan 8.280 nan 0.000 0.474 404 S N 0.483 116.272 115.700 0.148 0.000 2.651 404 S HA 0.647 5.117 4.470 -0.000 0.000 0.279 404 S C -1.550 173.122 174.600 0.120 0.000 1.148 404 S CA -0.882 57.354 58.200 0.060 0.000 0.837 404 S CB 2.201 65.386 63.200 -0.025 0.000 1.138 404 S HN 0.843 nan 8.310 nan 0.000 0.478 405 H N 0.000 119.039 119.070 -0.052 0.000 2.539 405 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 405 H CA 0.000 56.017 56.048 -0.052 0.000 1.023 405 H CB 0.000 29.719 29.762 -0.071 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496