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 2wpc_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 3 K N 0.142 120.535 120.400 -0.012 0.000 2.572 3 K HA 0.654 4.974 4.320 -0.000 0.000 0.263 3 K C -1.656 174.867 176.600 -0.128 0.000 0.932 3 K CA -0.593 55.661 56.287 -0.055 0.000 0.838 3 K CB 1.936 34.494 32.500 0.096 0.000 1.366 3 K HN 0.755 nan 8.250 nan 0.000 0.425 4 A N 2.770 125.370 122.820 -0.367 0.000 2.331 4 A HA 0.877 5.196 4.320 -0.000 0.000 0.320 4 A C -1.411 175.802 177.584 -0.618 0.000 1.138 4 A CA -0.503 51.342 52.037 -0.320 0.000 0.790 4 A CB 0.277 19.169 19.000 -0.181 0.000 1.206 4 A HN 0.525 nan 8.150 nan 0.000 0.470 5 F N 0.573 120.540 119.950 0.029 0.000 2.588 5 F HA 0.337 4.863 4.527 -0.000 0.000 0.310 5 F C 0.832 176.674 175.800 0.071 0.000 1.082 5 F CA -0.690 57.343 58.000 0.055 0.000 0.929 5 F CB 2.096 41.142 39.000 0.078 0.000 1.254 5 F HN 0.658 nan 8.300 nan 0.000 0.455 6 D N 0.734 121.283 120.400 0.249 0.000 2.097 6 D HA -0.074 4.565 4.640 -0.000 0.000 0.195 6 D C 0.084 176.614 176.300 0.384 0.000 0.989 6 D CA 1.752 55.884 54.000 0.220 0.000 0.827 6 D CB 0.356 41.152 40.800 -0.006 0.000 0.966 6 D HN 0.099 nan 8.370 nan 0.000 0.456 7 L N 0.733 122.166 121.223 0.351 0.000 2.409 7 L HA 0.310 4.649 4.340 -0.000 0.000 0.272 7 L C -1.158 175.853 176.870 0.235 0.000 0.980 7 L CA -0.720 54.340 54.840 0.367 0.000 0.826 7 L CB 2.271 44.558 42.059 0.381 0.000 1.268 7 L HN -0.345 nan 8.230 nan 0.000 0.407 8 V N 5.477 125.501 119.914 0.185 0.000 2.448 8 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 8 V C -0.505 175.639 176.094 0.083 0.000 1.025 8 V CA -0.753 61.577 62.300 0.050 0.000 0.859 8 V CB 1.895 33.709 31.823 -0.016 0.000 0.988 8 V HN 0.468 nan 8.190 nan 0.000 0.431 9 V N 6.340 126.292 119.914 0.065 0.000 2.384 9 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 9 V C -0.110 176.014 176.094 0.050 0.000 1.020 9 V CA -0.387 61.970 62.300 0.095 0.000 0.850 9 V CB 1.617 33.522 31.823 0.137 0.000 0.987 9 V HN 0.685 nan 8.190 nan 0.000 0.436 10 I N 4.598 125.194 120.570 0.044 0.000 2.297 10 I HA 0.681 4.850 4.170 -0.000 0.000 0.291 10 I C 0.755 176.890 176.117 0.029 0.000 1.033 10 I CA -0.029 61.276 61.300 0.008 0.000 1.253 10 I CB 1.192 39.188 38.000 -0.005 0.000 1.396 10 I HN 0.877 nan 8.210 nan 0.000 0.476 11 G N 4.605 113.415 108.800 0.017 0.000 3.380 11 G HA2 0.061 4.021 3.960 -0.000 0.000 0.685 11 G HA3 0.061 4.021 3.960 -0.000 0.000 0.685 11 G C -0.160 174.817 174.900 0.129 0.000 1.136 11 G CA -0.431 44.703 45.100 0.057 0.000 1.011 11 G HN 0.944 nan 8.290 nan 0.000 0.471 12 A N 1.753 124.682 122.820 0.181 0.000 3.074 12 A HA 0.706 5.026 4.320 -0.000 0.000 0.251 12 A C 1.410 179.139 177.584 0.243 0.000 1.695 12 A CA 1.317 53.524 52.037 0.283 0.000 1.343 12 A CB -0.382 18.875 19.000 0.429 0.000 1.078 12 A HN 2.006 nan 8.150 nan 0.000 0.644 13 G N -0.820 108.094 108.800 0.190 0.000 2.857 13 G HA2 0.401 4.361 3.960 -0.000 0.000 0.217 13 G HA3 0.401 4.361 3.960 -0.000 0.000 0.217 13 G C 1.045 176.037 174.900 0.154 0.000 1.357 13 G CA 0.476 45.679 45.100 0.172 0.000 1.033 13 G HN 0.272 nan 8.290 nan 0.000 0.571 14 S N -0.274 115.506 115.700 0.134 0.000 2.348 14 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 14 S C 2.409 177.063 174.600 0.090 0.000 1.033 14 S CA 1.702 59.966 58.200 0.106 0.000 1.010 14 S CB -0.621 62.638 63.200 0.097 0.000 0.891 14 S HN 0.760 nan 8.310 nan 0.000 0.442 15 G N 0.824 109.683 108.800 0.099 0.000 2.408 15 G HA2 0.103 4.063 3.960 -0.000 0.000 0.215 15 G HA3 0.103 4.063 3.960 -0.000 0.000 0.215 15 G C 1.393 176.355 174.900 0.103 0.000 1.156 15 G CA 0.762 45.918 45.100 0.093 0.000 0.793 15 G HN 0.551 nan 8.290 nan 0.000 0.535 16 G N 1.092 109.964 108.800 0.121 0.000 2.414 16 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 16 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 16 G C 1.799 176.791 174.900 0.154 0.000 1.188 16 G CA 0.670 45.854 45.100 0.140 0.000 0.783 16 G HN 0.378 nan 8.290 nan 0.000 0.537 17 L N 0.280 121.591 121.223 0.147 0.000 2.013 17 L HA -0.152 4.187 4.340 -0.000 0.000 0.212 17 L C 2.799 179.722 176.870 0.088 0.000 1.073 17 L CA 1.830 56.731 54.840 0.102 0.000 0.753 17 L CB -0.468 41.603 42.059 0.021 0.000 0.890 17 L HN 0.292 nan 8.230 nan 0.000 0.432 18 E N 0.386 120.627 120.200 0.068 0.000 2.058 18 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 18 E C 2.099 178.790 176.600 0.151 0.000 0.997 18 E CA 1.646 58.094 56.400 0.079 0.000 0.801 18 E CB -0.108 29.623 29.700 0.053 0.000 0.746 18 E HN 0.397 nan 8.360 nan 0.000 0.450 19 A N 0.149 123.051 122.820 0.137 0.000 1.873 19 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 19 A C 2.460 180.154 177.584 0.184 0.000 1.186 19 A CA 1.749 53.874 52.037 0.148 0.000 0.616 19 A CB -1.361 17.710 19.000 0.118 0.000 0.823 19 A HN 0.425 nan 8.150 nan 0.000 0.442 20 G N -1.246 107.662 108.800 0.179 0.000 2.480 20 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 20 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 20 G C 1.487 176.470 174.900 0.139 0.000 1.200 20 G CA 0.941 46.142 45.100 0.168 0.000 0.782 20 G HN 0.609 nan 8.290 nan 0.000 0.554 21 W N 1.893 123.159 121.300 -0.056 0.000 2.289 21 W HA -0.240 4.420 4.660 -0.000 0.000 0.331 21 W C 2.292 178.805 176.519 -0.010 0.000 1.283 21 W CA 2.160 59.456 57.345 -0.081 0.000 1.252 21 W CB -0.521 28.864 29.460 -0.126 0.000 1.153 21 W HN 0.214 nan 8.180 nan 0.000 0.467 22 N N 0.364 119.231 118.700 0.279 0.000 2.104 22 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 22 N C 1.835 177.480 175.510 0.225 0.000 1.024 22 N CA 2.401 55.584 53.050 0.222 0.000 0.853 22 N CB -1.233 37.414 38.487 0.268 0.000 1.008 22 N HN 0.209 nan 8.380 nan 0.000 0.424 23 A N 0.800 123.764 122.820 0.239 0.000 1.858 23 A HA 0.011 4.330 4.320 -0.000 0.000 0.216 23 A C 2.344 179.951 177.584 0.038 0.000 1.190 23 A CA 2.122 54.295 52.037 0.227 0.000 0.617 23 A CB -1.089 18.049 19.000 0.230 0.000 0.827 23 A HN 0.326 nan 8.150 nan 0.000 0.443 24 A N -0.540 122.246 122.820 -0.057 0.000 1.845 24 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 24 A C 2.477 179.918 177.584 -0.237 0.000 1.195 24 A CA 2.833 54.778 52.037 -0.153 0.000 0.616 24 A CB -1.375 17.500 19.000 -0.209 0.000 0.832 24 A HN 0.798 nan 8.150 nan 0.000 0.443 25 T N -2.552 111.762 114.554 -0.400 0.000 3.035 25 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 25 T C 1.691 176.216 174.700 -0.293 0.000 1.078 25 T CA 1.107 62.939 62.100 -0.447 0.000 1.132 25 T CB -0.224 68.162 68.868 -0.802 0.000 0.900 25 T HN 0.247 nan 8.240 nan 0.000 0.480 26 L N -1.732 119.338 121.223 -0.254 0.000 2.298 26 L HA 0.310 4.650 4.340 -0.000 0.000 0.209 26 L C 1.581 178.125 176.870 -0.544 0.000 1.084 26 L CA 0.685 55.281 54.840 -0.407 0.000 0.816 26 L CB -0.035 41.715 42.059 -0.514 0.000 0.967 26 L HN 0.193 nan 8.230 nan 0.000 0.460 27 Y N -0.464 119.797 120.300 -0.066 0.000 2.500 27 Y HA 0.344 4.893 4.550 -0.000 0.000 0.246 27 Y C 1.579 177.410 175.900 -0.115 0.000 1.146 27 Y CA 0.018 58.080 58.100 -0.064 0.000 1.230 27 Y CB 0.561 39.009 38.460 -0.020 0.000 1.214 27 Y HN 0.147 nan 8.280 nan 0.000 0.526 28 G N 1.251 110.029 108.800 -0.037 0.000 2.273 28 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 28 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 28 G C 0.196 175.048 174.900 -0.081 0.000 1.047 28 G CA 0.046 45.103 45.100 -0.070 0.000 0.869 28 G HN 0.067 nan 8.290 nan 0.000 0.502 29 K N -0.636 119.694 120.400 -0.116 0.000 2.098 29 K HA 0.461 4.781 4.320 -0.000 0.000 0.244 29 K C 0.630 177.184 176.600 -0.077 0.000 1.014 29 K CA -0.825 55.348 56.287 -0.189 0.000 0.917 29 K CB 0.901 33.122 32.500 -0.465 0.000 1.072 29 K HN 0.308 nan 8.250 nan 0.000 0.477 30 R N 0.992 121.480 120.500 -0.021 0.000 2.229 30 R HA 0.343 4.683 4.340 -0.000 0.000 0.332 30 R C -1.172 175.310 176.300 0.304 0.000 0.989 30 R CA -0.415 55.763 56.100 0.130 0.000 0.842 30 R CB 0.690 31.040 30.300 0.083 0.000 1.119 30 R HN 0.230 nan 8.270 nan 0.000 0.456 31 V N 3.167 123.283 119.914 0.337 0.000 2.588 31 V HA 0.660 4.779 4.120 -0.000 0.000 0.304 31 V C -0.448 175.706 176.094 0.100 0.000 1.042 31 V CA -0.904 61.535 62.300 0.231 0.000 0.877 31 V CB 1.704 33.614 31.823 0.144 0.000 0.996 31 V HN 0.899 nan 8.190 nan 0.000 0.425 32 A N 4.048 126.721 122.820 -0.244 0.000 2.350 32 A HA 0.939 5.259 4.320 -0.000 0.000 0.324 32 A C -1.006 176.553 177.584 -0.042 0.000 1.118 32 A CA -0.623 51.189 52.037 -0.376 0.000 0.783 32 A CB 1.831 20.095 19.000 -1.226 0.000 1.236 32 A HN 0.735 nan 8.150 nan 0.000 0.457 33 V N 2.487 122.465 119.914 0.107 0.000 2.531 33 V HA 0.464 4.584 4.120 -0.000 0.000 0.301 33 V C -0.547 175.504 176.094 -0.072 0.000 1.034 33 V CA -0.536 61.843 62.300 0.130 0.000 0.865 33 V CB 1.631 33.701 31.823 0.412 0.000 0.995 33 V HN 0.687 nan 8.190 nan 0.000 0.424 34 V N 3.678 123.524 119.914 -0.114 0.000 2.435 34 V HA 0.631 4.750 4.120 -0.000 0.000 0.290 34 V C -0.411 175.525 176.094 -0.263 0.000 1.030 34 V CA -0.329 61.797 62.300 -0.289 0.000 0.881 34 V CB 1.718 33.415 31.823 -0.211 0.000 0.983 34 V HN 0.915 nan 8.190 nan 0.000 0.445 35 D N 1.712 121.851 120.400 -0.435 0.000 2.570 35 D HA 0.360 5.000 4.640 -0.000 0.000 0.244 35 D C 0.528 176.651 176.300 -0.295 0.000 1.178 35 D CA -0.345 53.539 54.000 -0.193 0.000 0.881 35 D CB 3.042 43.946 40.800 0.174 0.000 1.453 35 D HN 0.387 nan 8.370 nan 0.000 0.447 36 V N -0.594 119.084 119.914 -0.393 0.000 3.406 36 V HA 0.252 4.371 4.120 -0.000 0.000 0.263 36 V C 0.471 176.477 176.094 -0.147 0.000 1.172 36 V CA 0.847 62.773 62.300 -0.623 0.000 1.140 36 V CB -0.048 30.928 31.823 -1.411 0.000 0.784 36 V HN 0.471 nan 8.190 nan 0.000 0.467 37 Q N -0.438 119.392 119.800 0.050 0.000 2.426 37 Q HA 0.366 4.706 4.340 -0.000 0.000 0.278 37 Q C 0.440 176.529 176.000 0.149 0.000 1.007 37 Q CA 0.357 56.248 55.803 0.146 0.000 0.850 37 Q CB 2.221 31.079 28.738 0.200 0.000 1.427 37 Q HN 0.397 nan 8.270 nan 0.000 0.391 38 T N -1.759 112.845 114.554 0.084 0.000 3.037 38 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 38 T C 0.608 175.283 174.700 -0.042 0.000 1.073 38 T CA 0.358 62.444 62.100 -0.023 0.000 1.091 38 T CB 0.416 69.241 68.868 -0.073 0.000 0.935 38 T HN 0.215 nan 8.240 nan 0.000 0.488 39 S N 1.018 116.708 115.700 -0.017 0.000 2.549 39 S HA 0.498 4.968 4.470 -0.000 0.000 0.280 39 S C -0.640 173.935 174.600 -0.041 0.000 1.109 39 S CA -0.968 57.213 58.200 -0.032 0.000 0.905 39 S CB 0.954 64.102 63.200 -0.086 0.000 1.081 39 S HN 0.728 nan 8.310 nan 0.000 0.477 40 H N 1.464 120.532 119.070 -0.004 0.000 2.836 40 H HA 0.623 5.179 4.556 -0.000 0.000 0.368 40 H C 0.698 176.016 175.328 -0.016 0.000 1.164 40 H CA 0.518 56.589 56.048 0.037 0.000 1.425 40 H CB 0.100 29.907 29.762 0.076 0.000 1.414 40 H HN 1.123 nan 8.280 nan 0.000 0.614 41 G N 0.775 109.564 108.800 -0.019 0.000 2.462 41 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.685 41 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.685 41 G C -3.015 171.440 174.900 -0.742 0.000 1.295 41 G CA -0.858 43.958 45.100 -0.472 0.000 0.941 41 G HN 0.760 nan 8.290 nan 0.000 0.554 42 P HA 0.154 nan 4.420 nan 0.000 0.266 42 P C -1.464 175.431 177.300 -0.675 0.000 1.193 42 P CA -0.391 62.074 63.100 -1.058 0.000 0.770 42 P CB 0.496 31.798 31.700 -0.662 0.000 0.836 43 P HA 0.084 nan 4.420 nan 0.000 0.238 43 P C 0.535 177.453 177.300 -0.638 0.000 1.183 43 P CA 0.989 63.635 63.100 -0.757 0.000 0.813 43 P CB 0.237 31.447 31.700 -0.816 0.000 0.944 44 F N -2.255 117.685 119.950 -0.016 0.000 2.727 44 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 44 F C 1.307 177.381 175.800 0.458 0.000 1.097 44 F CA -0.494 57.674 58.000 0.279 0.000 1.330 44 F CB -0.783 38.350 39.000 0.222 0.000 1.084 44 F HN -0.248 nan 8.300 nan 0.000 0.578 45 Y N -1.152 119.326 120.300 0.297 0.000 2.749 45 Y HA -0.412 4.137 4.550 -0.000 0.000 0.477 45 Y C 1.742 177.804 175.900 0.270 0.000 1.115 45 Y CA 0.233 58.501 58.100 0.279 0.000 2.869 45 Y CB -1.974 36.678 38.460 0.321 0.000 1.077 45 Y HN 0.033 nan 8.280 nan 0.000 0.595 46 A N 1.678 124.793 122.820 0.491 0.000 2.429 46 A HA 0.660 4.980 4.320 -0.000 0.000 0.242 46 A C 0.590 178.326 177.584 0.253 0.000 1.088 46 A CA 0.942 53.174 52.037 0.325 0.000 0.784 46 A CB 0.130 19.327 19.000 0.329 0.000 1.038 46 A HN 1.532 nan 8.150 nan 0.000 0.501 47 A N -0.527 122.405 122.820 0.187 0.000 2.809 47 A HA 0.552 4.872 4.320 -0.000 0.000 0.310 47 A C -0.679 176.995 177.584 0.150 0.000 1.138 47 A CA -0.366 51.761 52.037 0.151 0.000 0.610 47 A CB -0.335 18.738 19.000 0.122 0.000 1.432 47 A HN 2.039 nan 8.150 nan 0.000 0.597 48 L N 1.117 122.417 121.223 0.129 0.000 2.700 48 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 48 L C 1.192 178.170 176.870 0.181 0.000 1.200 48 L CA 2.775 57.690 54.840 0.125 0.000 0.951 48 L CB -0.390 41.606 42.059 -0.104 0.000 1.226 48 L HN 2.138 nan 8.230 nan 0.000 0.489 49 G N 1.915 110.894 108.800 0.299 0.000 2.352 49 G HA2 0.188 4.148 3.960 -0.000 0.000 0.204 49 G HA3 0.188 4.148 3.960 -0.000 0.000 0.204 49 G C 1.143 176.179 174.900 0.227 0.000 1.004 49 G CA 0.150 45.447 45.100 0.327 0.000 0.648 49 G HN 2.061 nan 8.290 nan 0.000 0.491 50 G N -1.173 107.738 108.800 0.186 0.000 2.681 50 G HA2 0.082 4.042 3.960 -0.000 0.000 0.220 50 G HA3 0.082 4.042 3.960 -0.000 0.000 0.220 50 G C 0.766 175.749 174.900 0.137 0.000 1.353 50 G CA 0.803 46.001 45.100 0.163 0.000 0.872 50 G HN 1.208 nan 8.290 nan 0.000 0.557 51 T N -0.464 114.177 114.554 0.145 0.000 2.812 51 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 51 T C 2.490 177.233 174.700 0.072 0.000 1.042 51 T CA 2.385 64.562 62.100 0.129 0.000 1.140 51 T CB -0.590 68.375 68.868 0.161 0.000 0.870 51 T HN 1.032 nan 8.240 nan 0.000 0.445 52 c N 1.380 120.031 118.600 0.085 0.000 2.359 52 c HA -0.122 4.448 4.570 -0.000 0.000 0.277 52 c C 2.745 176.828 174.090 -0.012 0.000 1.192 52 c CA 1.021 57.383 56.329 0.056 0.000 1.759 52 c CB -1.229 41.325 42.510 0.073 0.000 2.038 52 c HN 0.385 nan 8.230 nan 0.000 0.448 53 V N 1.859 121.769 119.914 -0.006 0.000 2.332 53 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 53 V C 2.317 178.331 176.094 -0.134 0.000 1.055 53 V CA 2.521 64.774 62.300 -0.078 0.000 1.038 53 V CB -0.730 31.044 31.823 -0.082 0.000 0.651 53 V HN 0.605 nan 8.190 nan 0.000 0.450 54 N N 0.081 118.734 118.700 -0.079 0.000 2.368 54 N HA 0.012 4.752 4.740 -0.000 0.000 0.178 54 N C 0.869 176.238 175.510 -0.234 0.000 1.021 54 N CA 1.632 54.637 53.050 -0.075 0.000 0.875 54 N CB 0.872 39.416 38.487 0.094 0.000 1.020 54 N HN 0.542 nan 8.380 nan 0.000 0.433 55 V N -2.647 117.096 119.914 -0.285 0.000 2.793 55 V HA 0.737 4.856 4.120 -0.000 0.000 0.361 55 V C 0.195 176.056 176.094 -0.389 0.000 1.298 55 V CA -0.474 61.438 62.300 -0.646 0.000 1.343 55 V CB 0.599 32.367 31.823 -0.092 0.000 1.410 55 V HN 0.195 nan 8.190 nan 0.000 0.656 56 G N -0.276 108.334 108.800 -0.315 0.000 3.008 56 G HA2 0.248 4.208 3.960 -0.000 0.000 0.148 56 G HA3 0.248 4.208 3.960 -0.000 0.000 0.148 56 G C 0.760 175.708 174.900 0.080 0.000 1.184 56 G CA 0.628 45.768 45.100 0.066 0.000 1.087 56 G HN 0.301 nan 8.290 nan 0.000 0.602 57 c N 0.140 118.794 118.600 0.091 0.000 2.376 57 c HA -0.050 4.520 4.570 -0.000 0.000 0.275 57 c C 2.849 176.916 174.090 -0.039 0.000 1.200 57 c CA 1.159 57.523 56.329 0.059 0.000 1.756 57 c CB -1.521 41.017 42.510 0.047 0.000 2.050 57 c HN 0.301 nan 8.230 nan 0.000 0.460 58 V N 2.716 122.584 119.914 -0.077 0.000 2.237 58 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 58 V C 0.345 176.353 176.094 -0.143 0.000 1.046 58 V CA 2.698 64.925 62.300 -0.123 0.000 1.007 58 V CB -1.858 29.889 31.823 -0.127 0.000 0.638 58 V HN 0.434 nan 8.190 nan 0.000 0.445 59 P HA -0.145 nan 4.420 nan 0.000 0.220 59 P C 1.379 178.707 177.300 0.046 0.000 1.152 59 P CA 1.475 64.494 63.100 -0.135 0.000 0.812 59 P CB -0.010 31.491 31.700 -0.332 0.000 0.792 60 K N 1.410 121.904 120.400 0.156 0.000 2.057 60 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 60 K C 2.200 178.715 176.600 -0.142 0.000 1.049 60 K CA 1.749 58.072 56.287 0.060 0.000 0.931 60 K CB -1.023 31.547 32.500 0.118 0.000 0.714 60 K HN -0.149 nan 8.250 nan 0.000 0.440 61 K N 1.108 121.395 120.400 -0.189 0.000 2.032 61 K HA -0.025 4.295 4.320 -0.000 0.000 0.209 61 K C 1.954 178.413 176.600 -0.234 0.000 1.048 61 K CA 1.731 57.817 56.287 -0.335 0.000 0.927 61 K CB -0.528 31.693 32.500 -0.464 0.000 0.712 61 K HN 0.322 nan 8.250 nan 0.000 0.441 62 L N -0.133 120.988 121.223 -0.170 0.000 2.042 62 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 62 L C 2.570 179.373 176.870 -0.111 0.000 1.076 62 L CA 1.735 56.499 54.840 -0.127 0.000 0.749 62 L CB -0.437 41.547 42.059 -0.125 0.000 0.893 62 L HN 0.272 nan 8.230 nan 0.000 0.432 63 M N -1.264 118.246 119.600 -0.150 0.000 2.175 63 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 63 M C 2.287 178.527 176.300 -0.101 0.000 1.063 63 M CA 1.165 56.357 55.300 -0.179 0.000 1.119 63 M CB -0.334 32.095 32.600 -0.285 0.000 1.377 63 M HN 0.033 nan 8.290 nan 0.000 0.415 64 V N 0.123 119.953 119.914 -0.140 0.000 2.358 64 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 64 V C 2.320 178.380 176.094 -0.056 0.000 1.047 64 V CA 2.178 64.425 62.300 -0.089 0.000 1.035 64 V CB -0.966 30.811 31.823 -0.076 0.000 0.658 64 V HN 0.499 nan 8.190 nan 0.000 0.452 65 T N 0.342 114.847 114.554 -0.081 0.000 2.699 65 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 65 T C 1.867 176.548 174.700 -0.032 0.000 1.036 65 T CA 1.670 63.719 62.100 -0.086 0.000 1.147 65 T CB -0.630 68.204 68.868 -0.056 0.000 0.862 65 T HN 0.636 nan 8.240 nan 0.000 0.446 66 G N 0.967 109.852 108.800 0.141 0.000 2.404 66 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 66 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 66 G C 1.852 176.997 174.900 0.409 0.000 1.174 66 G CA 0.804 46.147 45.100 0.405 0.000 0.780 66 G HN 0.580 nan 8.290 nan 0.000 0.537 67 A N 0.475 123.491 122.820 0.327 0.000 1.978 67 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 67 A C 2.297 179.867 177.584 -0.023 0.000 1.170 67 A CA 1.951 54.084 52.037 0.160 0.000 0.636 67 A CB -0.442 18.644 19.000 0.144 0.000 0.810 67 A HN 0.463 nan 8.150 nan 0.000 0.448 68 Q N -1.572 118.146 119.800 -0.136 0.000 2.248 68 Q HA -0.228 4.111 4.340 -0.000 0.000 0.208 68 Q C 1.611 177.374 176.000 -0.394 0.000 0.984 68 Q CA 1.819 57.427 55.803 -0.326 0.000 0.875 68 Q CB -0.404 28.080 28.738 -0.423 0.000 0.910 68 Q HN 0.865 nan 8.270 nan 0.000 0.433 69 Y N -0.002 120.282 120.300 -0.028 0.000 2.333 69 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 69 Y C 2.172 178.064 175.900 -0.012 0.000 1.144 69 Y CA 1.100 59.219 58.100 0.032 0.000 1.228 69 Y CB -0.375 38.105 38.460 0.035 0.000 0.985 69 Y HN 0.207 nan 8.280 nan 0.000 0.542 70 M N 0.175 119.809 119.600 0.056 0.000 2.108 70 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 70 M C 1.136 177.468 176.300 0.053 0.000 1.066 70 M CA 2.213 57.532 55.300 0.032 0.000 1.107 70 M CB -0.075 32.511 32.600 -0.023 0.000 1.356 70 M HN 0.102 nan 8.290 nan 0.000 0.406 71 D N -0.353 120.037 120.400 -0.016 0.000 2.097 71 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 71 D C 1.982 178.318 176.300 0.060 0.000 0.984 71 D CA 1.349 55.342 54.000 -0.013 0.000 0.826 71 D CB -0.742 39.992 40.800 -0.111 0.000 0.973 71 D HN 0.489 nan 8.370 nan 0.000 0.460 72 H N 0.255 119.374 119.070 0.082 0.000 2.387 72 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 72 H C 2.370 177.781 175.328 0.138 0.000 1.099 72 H CA 0.636 56.738 56.048 0.090 0.000 1.315 72 H CB -0.425 29.378 29.762 0.069 0.000 1.380 72 H HN 0.180 nan 8.280 nan 0.000 0.513 73 L N 0.071 121.467 121.223 0.288 0.000 2.017 73 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 73 L C 2.865 179.963 176.870 0.379 0.000 1.073 73 L CA 1.192 56.224 54.840 0.320 0.000 0.745 73 L CB -0.344 41.894 42.059 0.298 0.000 0.894 73 L HN 0.148 nan 8.230 nan 0.000 0.432 74 R N 0.495 121.152 120.500 0.261 0.000 2.073 74 R HA -0.186 4.153 4.340 -0.000 0.000 0.234 74 R C 2.098 178.536 176.300 0.229 0.000 1.134 74 R CA 1.701 57.924 56.100 0.205 0.000 0.952 74 R CB -0.047 30.345 30.300 0.153 0.000 0.850 74 R HN 0.394 nan 8.270 nan 0.000 0.433 75 E N -0.076 120.278 120.200 0.257 0.000 2.208 75 E HA -0.124 4.225 4.350 -0.000 0.000 0.193 75 E C 1.919 178.765 176.600 0.409 0.000 0.988 75 E CA 1.144 57.730 56.400 0.310 0.000 0.828 75 E CB 0.086 29.982 29.700 0.326 0.000 0.763 75 E HN 0.457 nan 8.360 nan 0.000 0.478 76 S N 1.289 117.218 115.700 0.382 0.000 2.387 76 S HA -0.215 4.255 4.470 -0.000 0.000 0.230 76 S C 2.263 177.201 174.600 0.564 0.000 1.035 76 S CA 0.985 59.461 58.200 0.459 0.000 1.014 76 S CB -0.313 63.081 63.200 0.324 0.000 0.836 76 S HN 0.290 nan 8.310 nan 0.000 0.466 77 A N 2.026 125.083 122.820 0.395 0.000 1.948 77 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 77 A C 2.450 180.145 177.584 0.185 0.000 1.177 77 A CA 1.764 53.954 52.037 0.255 0.000 0.636 77 A CB -1.864 17.209 19.000 0.122 0.000 0.815 77 A HN 0.723 nan 8.150 nan 0.000 0.449 78 G N -1.574 107.320 108.800 0.157 0.000 2.432 78 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 78 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 78 G C 0.995 175.747 174.900 -0.246 0.000 1.135 78 G CA 0.929 45.980 45.100 -0.083 0.000 0.767 78 G HN 0.501 nan 8.290 nan 0.000 0.550 79 F N 0.470 120.522 119.950 0.169 0.000 2.645 79 F HA 0.401 4.928 4.527 -0.000 0.000 0.300 79 F C 1.838 177.699 175.800 0.101 0.000 1.115 79 F CA 0.309 58.410 58.000 0.168 0.000 1.355 79 F CB 0.646 39.796 39.000 0.249 0.000 1.026 79 F HN 0.239 nan 8.300 nan 0.000 0.536 80 G N -1.248 107.647 108.800 0.158 0.000 2.179 80 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 80 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 80 G C -0.172 174.691 174.900 -0.062 0.000 0.990 80 G CA -0.780 44.308 45.100 -0.021 0.000 0.646 80 G HN 0.243 nan 8.290 nan 0.000 0.517 81 W N 1.659 123.063 121.300 0.174 0.000 2.287 81 W HA 0.652 5.312 4.660 -0.000 0.000 0.313 81 W C 0.543 177.191 176.519 0.215 0.000 1.267 81 W CA -0.280 57.194 57.345 0.214 0.000 1.201 81 W CB 0.713 30.332 29.460 0.264 0.000 1.196 81 W HN 0.123 nan 8.180 nan 0.000 0.536 82 E N 3.595 124.025 120.200 0.383 0.000 2.210 82 E HA 0.612 4.962 4.350 -0.000 0.000 0.266 82 E C -0.949 175.873 176.600 0.370 0.000 0.883 82 E CA -0.903 55.626 56.400 0.214 0.000 0.761 82 E CB 1.821 31.571 29.700 0.084 0.000 1.156 82 E HN 0.299 nan 8.360 nan 0.000 0.412 83 F N -0.919 119.103 119.950 0.120 0.000 2.842 83 F HA 0.311 4.838 4.527 -0.000 0.000 0.319 83 F C -1.527 174.318 175.800 0.074 0.000 1.159 83 F CA -1.446 56.614 58.000 0.100 0.000 0.902 83 F CB 0.709 39.779 39.000 0.117 0.000 1.311 83 F HN 0.172 nan 8.300 nan 0.000 0.453 84 D N 1.081 121.594 120.400 0.188 0.000 2.374 84 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 84 D C 1.187 177.521 176.300 0.058 0.000 1.229 84 D CA 0.458 54.493 54.000 0.058 0.000 0.895 84 D CB 1.207 42.068 40.800 0.101 0.000 1.046 84 D HN 0.889 nan 8.370 nan 0.000 0.498 85 G N 2.359 111.084 108.800 -0.125 0.000 2.443 85 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 85 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 85 G C 1.488 176.416 174.900 0.045 0.000 1.131 85 G CA 0.894 45.955 45.100 -0.065 0.000 0.775 85 G HN 0.561 nan 8.290 nan 0.000 0.547 86 S N 1.174 116.889 115.700 0.026 0.000 2.442 86 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 86 S C 2.278 176.914 174.600 0.061 0.000 1.007 86 S CA 1.694 59.916 58.200 0.037 0.000 0.965 86 S CB -0.450 62.765 63.200 0.025 0.000 0.773 86 S HN 0.557 nan 8.310 nan 0.000 0.504 87 S N 0.254 116.008 115.700 0.089 0.000 2.603 87 S HA 0.233 4.702 4.470 -0.000 0.000 0.220 87 S C 0.418 175.078 174.600 0.100 0.000 0.967 87 S CA -0.324 57.932 58.200 0.093 0.000 0.920 87 S CB -0.450 62.814 63.200 0.106 0.000 0.773 87 S HN 0.291 nan 8.310 nan 0.000 0.529 88 V N 3.189 123.174 119.914 0.119 0.000 2.488 88 V HA 0.423 4.543 4.120 -0.000 0.000 0.277 88 V C 0.074 176.213 176.094 0.075 0.000 1.046 88 V CA -0.294 62.075 62.300 0.115 0.000 0.986 88 V CB 0.625 32.548 31.823 0.168 0.000 0.989 88 V HN 0.670 nan 8.190 nan 0.000 0.475 89 K N 4.296 124.732 120.400 0.060 0.000 2.477 89 K HA 0.870 5.190 4.320 -0.000 0.000 0.255 89 K C -0.954 175.680 176.600 0.056 0.000 0.952 89 K CA -0.777 55.545 56.287 0.059 0.000 0.826 89 K CB 2.277 34.817 32.500 0.067 0.000 1.331 89 K HN 0.576 nan 8.250 nan 0.000 0.437 90 A N 2.729 125.588 122.820 0.065 0.000 2.341 90 A HA 0.243 4.563 4.320 -0.000 0.000 0.326 90 A C -0.691 177.068 177.584 0.292 0.000 1.402 90 A CA -0.743 51.341 52.037 0.079 0.000 0.957 90 A CB -0.111 18.803 19.000 -0.144 0.000 1.151 90 A HN 0.718 nan 8.150 nan 0.000 0.533 91 N N 3.329 122.202 118.700 0.288 0.000 2.605 91 N HA -0.058 4.681 4.740 -0.000 0.000 0.258 91 N C 1.042 176.769 175.510 0.363 0.000 1.156 91 N CA -0.492 52.730 53.050 0.287 0.000 1.008 91 N CB -0.122 38.462 38.487 0.162 0.000 1.354 91 N HN 0.878 nan 8.380 nan 0.000 0.509 92 W N 4.026 125.472 121.300 0.244 0.000 2.290 92 W HA -0.284 4.376 4.660 -0.000 0.000 0.311 92 W C 0.757 177.273 176.519 -0.006 0.000 1.238 92 W CA 1.392 58.764 57.345 0.045 0.000 1.255 92 W CB 0.215 29.729 29.460 0.091 0.000 1.145 92 W HN 0.472 nan 8.180 nan 0.000 0.506 93 K N 0.031 120.511 120.400 0.132 0.000 2.103 93 K HA -0.211 4.108 4.320 -0.000 0.000 0.204 93 K C 1.981 178.541 176.600 -0.066 0.000 1.052 93 K CA 1.678 57.977 56.287 0.021 0.000 0.945 93 K CB -0.353 32.216 32.500 0.115 0.000 0.722 93 K HN -0.120 nan 8.250 nan 0.000 0.443 94 K N 1.602 121.990 120.400 -0.019 0.000 2.032 94 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 94 K C 1.954 178.483 176.600 -0.118 0.000 1.048 94 K CA 1.054 57.317 56.287 -0.041 0.000 0.927 94 K CB -0.406 32.098 32.500 0.006 0.000 0.712 94 K HN 0.024 nan 8.250 nan 0.000 0.441 95 L N 0.617 121.727 121.223 -0.189 0.000 1.989 95 L HA -0.164 4.175 4.340 -0.000 0.000 0.211 95 L C 1.953 178.579 176.870 -0.408 0.000 1.071 95 L CA 1.706 56.353 54.840 -0.321 0.000 0.749 95 L CB -0.561 41.155 42.059 -0.571 0.000 0.890 95 L HN 0.246 nan 8.230 nan 0.000 0.431 96 I N 0.279 120.516 120.570 -0.556 0.000 2.208 96 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 96 I C 2.734 178.728 176.117 -0.205 0.000 1.097 96 I CA 1.591 62.623 61.300 -0.446 0.000 1.363 96 I CB -2.113 35.601 38.000 -0.476 0.000 1.051 96 I HN 0.419 nan 8.210 nan 0.000 0.413 97 A N 0.859 123.597 122.820 -0.136 0.000 1.877 97 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 97 A C 2.584 180.125 177.584 -0.073 0.000 1.186 97 A CA 2.163 54.164 52.037 -0.061 0.000 0.620 97 A CB -0.864 18.116 19.000 -0.034 0.000 0.822 97 A HN 0.421 nan 8.150 nan 0.000 0.443 98 A N -0.262 122.498 122.820 -0.099 0.000 1.902 98 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 98 A C 2.184 179.697 177.584 -0.118 0.000 1.181 98 A CA 1.991 53.972 52.037 -0.093 0.000 0.623 98 A CB -0.435 18.511 19.000 -0.091 0.000 0.818 98 A HN 0.440 nan 8.150 nan 0.000 0.443 99 K N 0.108 120.412 120.400 -0.161 0.000 2.026 99 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 99 K C 1.593 178.072 176.600 -0.203 0.000 1.048 99 K CA 1.828 58.002 56.287 -0.188 0.000 0.929 99 K CB -0.496 31.870 32.500 -0.224 0.000 0.713 99 K HN 0.406 nan 8.250 nan 0.000 0.439 100 N N 1.623 120.231 118.700 -0.154 0.000 2.069 100 N HA -0.199 4.540 4.740 -0.000 0.000 0.191 100 N C 1.759 177.224 175.510 -0.075 0.000 1.031 100 N CA 1.338 54.321 53.050 -0.113 0.000 0.852 100 N CB -0.337 38.218 38.487 0.112 0.000 1.018 100 N HN 0.436 nan 8.380 nan 0.000 0.423 101 E N 0.465 120.638 120.200 -0.045 0.000 2.058 101 E HA -0.162 4.187 4.350 -0.000 0.000 0.194 101 E C 1.763 178.318 176.600 -0.075 0.000 0.997 101 E CA 1.304 57.683 56.400 -0.036 0.000 0.801 101 E CB -0.063 29.616 29.700 -0.035 0.000 0.746 101 E HN 0.349 nan 8.360 nan 0.000 0.450 102 A N 0.360 123.113 122.820 -0.112 0.000 1.933 102 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 102 A C 2.378 179.864 177.584 -0.163 0.000 1.175 102 A CA 1.399 53.360 52.037 -0.126 0.000 0.628 102 A CB -0.503 18.418 19.000 -0.132 0.000 0.814 102 A HN 0.232 nan 8.150 nan 0.000 0.444 103 V N -0.395 119.380 119.914 -0.233 0.000 2.323 103 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 103 V C 2.446 178.437 176.094 -0.171 0.000 1.041 103 V CA 1.754 63.880 62.300 -0.290 0.000 1.025 103 V CB -0.769 30.732 31.823 -0.537 0.000 0.656 103 V HN 0.554 nan 8.190 nan 0.000 0.451 104 L N 0.669 121.848 121.223 -0.074 0.000 2.013 104 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 104 L C 2.131 178.987 176.870 -0.024 0.000 1.073 104 L CA 2.131 57.014 54.840 0.071 0.000 0.753 104 L CB -1.039 41.093 42.059 0.121 0.000 0.890 104 L HN 0.328 nan 8.230 nan 0.000 0.432 105 D N -0.427 119.939 120.400 -0.056 0.000 2.133 105 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 105 D C 2.302 178.537 176.300 -0.108 0.000 0.997 105 D CA 1.951 55.911 54.000 -0.067 0.000 0.840 105 D CB -0.177 40.584 40.800 -0.064 0.000 0.947 105 D HN 0.457 nan 8.370 nan 0.000 0.452 106 I N 0.992 121.451 120.570 -0.184 0.000 2.252 106 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 106 I C 2.071 177.928 176.117 -0.433 0.000 1.102 106 I CA 0.655 61.743 61.300 -0.352 0.000 1.385 106 I CB -0.273 37.453 38.000 -0.455 0.000 1.064 106 I HN -0.055 nan 8.210 nan 0.000 0.414 107 N N 1.511 120.051 118.700 -0.268 0.000 2.036 107 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 107 N C 1.805 177.274 175.510 -0.068 0.000 1.037 107 N CA 1.601 54.559 53.050 -0.154 0.000 0.855 107 N CB -0.345 38.115 38.487 -0.045 0.000 1.033 107 N HN 0.402 nan 8.380 nan 0.000 0.423 108 K N 0.603 120.974 120.400 -0.048 0.000 2.026 108 K HA -0.058 4.261 4.320 -0.000 0.000 0.208 108 K C 2.270 178.890 176.600 0.033 0.000 1.048 108 K CA 1.265 57.546 56.287 -0.009 0.000 0.929 108 K CB -0.369 32.124 32.500 -0.011 0.000 0.713 108 K HN 0.067 nan 8.250 nan 0.000 0.439 109 S N 0.161 115.878 115.700 0.029 0.000 2.372 109 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 109 S C 1.931 176.676 174.600 0.241 0.000 1.044 109 S CA 1.365 59.624 58.200 0.099 0.000 1.050 109 S CB -0.361 62.885 63.200 0.077 0.000 0.901 109 S HN 0.273 nan 8.310 nan 0.000 0.447 110 Y N 1.746 122.046 120.300 0.001 0.000 2.224 110 Y HA 0.014 4.564 4.550 -0.000 0.000 0.289 110 Y C 2.596 178.576 175.900 0.134 0.000 1.146 110 Y CA 1.031 59.157 58.100 0.043 0.000 1.182 110 Y CB -1.085 37.404 38.460 0.048 0.000 0.983 110 Y HN 0.533 nan 8.280 nan 0.000 0.524 111 E N -0.465 119.865 120.200 0.216 0.000 2.031 111 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 111 E C 2.594 179.283 176.600 0.148 0.000 0.994 111 E CA 1.058 57.524 56.400 0.109 0.000 0.800 111 E CB -0.522 29.163 29.700 -0.026 0.000 0.752 111 E HN 0.430 nan 8.360 nan 0.000 0.447 112 G N 1.276 110.142 108.800 0.110 0.000 2.574 112 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.220 112 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.220 112 G C 1.583 176.556 174.900 0.121 0.000 1.173 112 G CA 1.579 46.737 45.100 0.097 0.000 0.772 112 G HN 0.238 nan 8.290 nan 0.000 0.585 113 M N -0.614 119.066 119.600 0.132 0.000 2.082 113 M HA -0.001 4.479 4.480 -0.000 0.000 0.258 113 M C 2.397 178.754 176.300 0.095 0.000 1.069 113 M CA 1.395 56.764 55.300 0.115 0.000 1.102 113 M CB -0.503 32.121 32.600 0.039 0.000 1.336 113 M HN 0.225 nan 8.290 nan 0.000 0.404 114 F N 0.995 120.992 119.950 0.078 0.000 2.065 114 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 114 F C 2.342 178.164 175.800 0.036 0.000 1.112 114 F CA 1.673 59.707 58.000 0.058 0.000 1.212 114 F CB -0.863 38.148 39.000 0.020 0.000 0.975 114 F HN 0.213 nan 8.300 nan 0.000 0.476 115 N N 0.089 118.921 118.700 0.220 0.000 2.137 115 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 115 N C 1.088 176.647 175.510 0.082 0.000 1.017 115 N CA 1.722 54.845 53.050 0.122 0.000 0.859 115 N CB -0.530 38.009 38.487 0.086 0.000 1.002 115 N HN 0.298 nan 8.380 nan 0.000 0.428 116 D N -0.902 119.542 120.400 0.074 0.000 2.349 116 D HA 0.072 4.712 4.640 -0.000 0.000 0.214 116 D C -0.202 176.103 176.300 0.008 0.000 1.063 116 D CA 0.368 54.394 54.000 0.043 0.000 0.847 116 D CB 0.223 41.056 40.800 0.054 0.000 0.933 116 D HN 0.023 nan 8.370 nan 0.000 0.513 117 T N 1.312 115.859 114.554 -0.013 0.000 2.756 117 T HA 0.215 4.565 4.350 -0.000 0.000 0.290 117 T C 0.207 174.850 174.700 -0.096 0.000 0.985 117 T CA -0.589 61.440 62.100 -0.118 0.000 0.955 117 T CB 1.774 70.500 68.868 -0.237 0.000 0.930 117 T HN -0.075 nan 8.240 nan 0.000 0.451 118 E N 1.438 121.575 120.200 -0.105 0.000 2.414 118 E HA 0.324 4.674 4.350 -0.000 0.000 0.263 118 E C 1.232 177.788 176.600 -0.073 0.000 1.000 118 E CA 0.550 56.909 56.400 -0.068 0.000 0.914 118 E CB 0.336 29.992 29.700 -0.074 0.000 0.948 118 E HN 0.974 nan 8.360 nan 0.000 0.444 119 G N 2.653 111.452 108.800 -0.003 0.000 2.153 119 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 119 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 119 G C -0.295 174.651 174.900 0.077 0.000 0.994 119 G CA 0.247 45.369 45.100 0.038 0.000 0.698 119 G HN 0.337 nan 8.290 nan 0.000 0.521 120 L N 0.917 122.189 121.223 0.081 0.000 2.427 120 L HA 0.698 5.038 4.340 -0.000 0.000 0.264 120 L C -0.974 176.071 176.870 0.291 0.000 0.989 120 L CA -1.068 53.846 54.840 0.122 0.000 0.865 120 L CB 1.365 43.382 42.059 -0.070 0.000 1.209 120 L HN 0.109 nan 8.230 nan 0.000 0.430 121 D N 3.626 124.213 120.400 0.311 0.000 2.278 121 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 121 D C -1.270 175.080 176.300 0.084 0.000 1.052 121 D CA -0.030 54.087 54.000 0.194 0.000 0.834 121 D CB 1.507 42.366 40.800 0.098 0.000 1.194 121 D HN 0.327 nan 8.370 nan 0.000 0.481 122 F N 3.363 123.076 119.950 -0.396 0.000 2.411 122 F HA 0.483 5.010 4.527 -0.000 0.000 0.350 122 F C -1.256 174.140 175.800 -0.673 0.000 1.114 122 F CA -0.684 56.912 58.000 -0.674 0.000 1.135 122 F CB 0.271 38.606 39.000 -1.108 0.000 1.120 122 F HN 0.214 nan 8.300 nan 0.000 0.495 123 F N 6.955 126.371 119.950 -0.890 0.000 2.444 123 F HA 0.399 4.925 4.527 -0.000 0.000 0.342 123 F C -0.560 174.644 175.800 -0.994 0.000 1.121 123 F CA -1.135 56.456 58.000 -0.681 0.000 0.997 123 F CB 1.421 40.187 39.000 -0.390 0.000 1.130 123 F HN 0.256 nan 8.300 nan 0.000 0.454 124 L N 3.770 124.733 121.223 -0.435 0.000 2.361 124 L HA 0.733 5.073 4.340 -0.000 0.000 0.278 124 L C 0.214 176.994 176.870 -0.150 0.000 1.113 124 L CA 0.725 55.413 54.840 -0.253 0.000 0.849 124 L CB -0.164 41.905 42.059 0.017 0.000 1.155 124 L HN 0.790 nan 8.230 nan 0.000 0.452 125 G N 3.257 111.921 108.800 -0.227 0.000 2.350 125 G HA2 0.005 3.964 3.960 -0.000 0.000 0.282 125 G HA3 0.005 3.964 3.960 -0.000 0.000 0.282 125 G C -2.132 172.565 174.900 -0.339 0.000 1.314 125 G CA -0.774 44.237 45.100 -0.148 0.000 0.915 125 G HN 0.462 nan 8.290 nan 0.000 0.499 126 W N 1.205 122.418 121.300 -0.145 0.000 2.294 126 W HA 0.601 5.260 4.660 -0.000 0.000 0.314 126 W C 0.681 177.124 176.519 -0.126 0.000 1.044 126 W CA 0.206 57.457 57.345 -0.158 0.000 1.284 126 W CB 1.716 31.067 29.460 -0.182 0.000 1.231 126 W HN 0.858 nan 8.180 nan 0.000 0.419 127 G N 2.043 110.848 108.800 0.007 0.000 2.377 127 G HA2 0.601 4.561 3.960 -0.000 0.000 0.299 127 G HA3 0.601 4.561 3.960 -0.000 0.000 0.299 127 G C -0.499 174.413 174.900 0.020 0.000 1.150 127 G CA -0.448 44.645 45.100 -0.013 0.000 0.847 127 G HN 0.409 nan 8.290 nan 0.000 0.501 128 S N 0.251 115.952 115.700 0.002 0.000 2.638 128 S HA 0.574 5.043 4.470 -0.000 0.000 0.274 128 S C -1.258 173.335 174.600 -0.013 0.000 1.157 128 S CA -0.917 57.284 58.200 0.002 0.000 0.826 128 S CB 1.572 64.775 63.200 0.006 0.000 1.139 128 S HN 0.343 nan 8.310 nan 0.000 0.474 129 L N 2.257 123.473 121.223 -0.012 0.000 2.295 129 L HA 0.457 4.797 4.340 -0.000 0.000 0.288 129 L C 1.600 178.458 176.870 -0.019 0.000 1.079 129 L CA 0.292 55.121 54.840 -0.018 0.000 0.830 129 L CB 0.092 42.140 42.059 -0.017 0.000 1.200 129 L HN 1.005 nan 8.230 nan 0.000 0.438 130 E N 1.495 121.681 120.200 -0.022 0.000 2.047 130 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 130 E C 0.341 176.928 176.600 -0.022 0.000 0.987 130 E CA 1.087 57.474 56.400 -0.022 0.000 0.799 130 E CB 0.474 30.159 29.700 -0.024 0.000 0.752 130 E HN 0.735 nan 8.360 nan 0.000 0.449 131 S N -1.893 113.793 115.700 -0.023 0.000 2.752 131 S HA 0.211 4.681 4.470 -0.000 0.000 0.284 131 S C 0.302 174.885 174.600 -0.029 0.000 1.189 131 S CA -0.776 57.409 58.200 -0.024 0.000 0.835 131 S CB 1.168 64.355 63.200 -0.023 0.000 1.192 131 S HN 0.096 nan 8.310 nan 0.000 0.506 132 K N 0.244 120.624 120.400 -0.033 0.000 2.281 132 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 132 K C 0.026 176.597 176.600 -0.048 0.000 1.046 132 K CA 1.786 58.046 56.287 -0.044 0.000 0.938 132 K CB -0.453 32.019 32.500 -0.048 0.000 0.737 132 K HN 0.636 nan 8.250 nan 0.000 0.458 133 N N -0.501 118.178 118.700 -0.036 0.000 2.305 133 N HA 0.127 4.867 4.740 -0.000 0.000 0.248 133 N C -1.823 173.679 175.510 -0.014 0.000 1.290 133 N CA -0.313 52.719 53.050 -0.029 0.000 0.873 133 N CB 1.944 40.410 38.487 -0.035 0.000 1.261 133 N HN -0.169 nan 8.380 nan 0.000 0.504 134 V N 0.858 120.762 119.914 -0.017 0.000 2.623 134 V HA 0.426 4.545 4.120 -0.000 0.000 0.304 134 V C -0.544 175.535 176.094 -0.025 0.000 1.054 134 V CA -0.877 61.413 62.300 -0.017 0.000 0.882 134 V CB 2.326 34.137 31.823 -0.020 0.000 1.002 134 V HN -0.228 nan 8.190 nan 0.000 0.424 135 V N 5.543 125.437 119.914 -0.034 0.000 2.347 135 V HA 0.408 4.527 4.120 -0.000 0.000 0.280 135 V C -0.038 176.013 176.094 -0.072 0.000 1.021 135 V CA -0.477 61.792 62.300 -0.052 0.000 0.847 135 V CB 1.911 33.694 31.823 -0.067 0.000 0.990 135 V HN 0.666 nan 8.190 nan 0.000 0.444 136 V N 5.982 125.864 119.914 -0.054 0.000 2.509 136 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 136 V C 0.079 176.139 176.094 -0.057 0.000 1.047 136 V CA -0.571 61.696 62.300 -0.055 0.000 0.952 136 V CB 1.595 33.399 31.823 -0.032 0.000 0.988 136 V HN 0.539 nan 8.190 nan 0.000 0.469 137 V N 6.271 126.140 119.914 -0.073 0.000 2.328 137 V HA 0.472 4.592 4.120 -0.000 0.000 0.278 137 V C 0.343 176.435 176.094 -0.004 0.000 1.021 137 V CA -0.438 61.828 62.300 -0.057 0.000 0.838 137 V CB 1.075 32.827 31.823 -0.118 0.000 0.999 137 V HN 0.862 nan 8.190 nan 0.000 0.447 138 R N 2.271 122.800 120.500 0.049 0.000 2.843 138 R HA 0.438 4.778 4.340 -0.000 0.000 0.232 138 R C 0.862 177.230 176.300 0.113 0.000 1.305 138 R CA -0.779 55.354 56.100 0.055 0.000 1.096 138 R CB 1.077 31.390 30.300 0.023 0.000 1.455 138 R HN 0.603 nan 8.270 nan 0.000 0.520 139 E N -0.086 120.155 120.200 0.069 0.000 2.112 139 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 139 E C 0.148 176.803 176.600 0.091 0.000 0.979 139 E CA 1.224 57.680 56.400 0.093 0.000 0.814 139 E CB 0.348 30.071 29.700 0.038 0.000 0.762 139 E HN 0.622 nan 8.360 nan 0.000 0.460 140 T N -5.252 109.212 114.554 -0.149 0.000 2.778 140 T HA 0.629 4.979 4.350 -0.000 0.000 0.293 140 T C 0.978 175.053 174.700 -1.042 0.000 1.144 140 T CA -0.339 61.375 62.100 -0.644 0.000 1.010 140 T CB 0.807 69.441 68.868 -0.390 0.000 1.325 140 T HN -0.121 nan 8.240 nan 0.000 0.515 141 A N 0.058 121.878 122.820 -1.666 0.000 2.024 141 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 141 A C 1.076 178.345 177.584 -0.526 0.000 1.164 141 A CA 1.346 52.645 52.037 -1.231 0.000 0.643 141 A CB -1.034 17.233 19.000 -1.221 0.000 0.806 141 A HN 0.844 nan 8.150 nan 0.000 0.451 142 D N -0.028 120.124 120.400 -0.415 0.000 2.371 142 D HA 0.128 4.768 4.640 -0.000 0.000 0.256 142 D C -1.742 174.462 176.300 -0.160 0.000 1.193 142 D CA -1.806 52.057 54.000 -0.230 0.000 0.881 142 D CB 1.145 41.838 40.800 -0.178 0.000 1.143 142 D HN 0.135 nan 8.370 nan 0.000 0.473 143 P HA -0.015 nan 4.420 nan 0.000 0.242 143 P C 0.363 177.628 177.300 -0.059 0.000 1.197 143 P CA 0.580 63.635 63.100 -0.075 0.000 0.765 143 P CB 0.317 31.982 31.700 -0.059 0.000 0.936 144 K N -0.341 120.020 120.400 -0.066 0.000 2.374 144 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 144 K C 0.881 177.452 176.600 -0.049 0.000 1.040 144 K CA -0.020 56.237 56.287 -0.050 0.000 1.085 144 K CB 0.442 32.916 32.500 -0.043 0.000 0.873 144 K HN 0.148 nan 8.250 nan 0.000 0.539 145 S N 0.991 116.652 115.700 -0.065 0.000 2.580 145 S HA 0.264 4.734 4.470 -0.000 0.000 0.266 145 S C 0.529 175.110 174.600 -0.032 0.000 1.354 145 S CA -0.803 57.363 58.200 -0.055 0.000 1.008 145 S CB 0.869 64.019 63.200 -0.084 0.000 0.898 145 S HN 0.216 nan 8.310 nan 0.000 0.555 146 A N 1.453 124.263 122.820 -0.017 0.000 2.540 146 A HA 0.372 4.691 4.320 -0.000 0.000 0.239 146 A C 0.303 177.888 177.584 0.002 0.000 1.061 146 A CA -0.586 51.449 52.037 -0.004 0.000 0.758 146 A CB -0.498 18.505 19.000 0.004 0.000 0.991 146 A HN 0.944 nan 8.150 nan 0.000 0.502 147 V N 4.509 124.423 119.914 -0.001 0.000 2.485 147 V HA -0.018 4.101 4.120 -0.000 0.000 0.287 147 V C 1.185 177.284 176.094 0.008 0.000 1.022 147 V CA 0.665 62.964 62.300 -0.001 0.000 1.067 147 V CB 0.290 32.107 31.823 -0.009 0.000 0.967 147 V HN 1.044 nan 8.190 nan 0.000 0.479 148 K N 2.894 123.301 120.400 0.011 0.000 2.242 148 K HA 0.191 4.510 4.320 -0.000 0.000 0.200 148 K C 0.203 176.806 176.600 0.006 0.000 1.050 148 K CA 0.516 56.817 56.287 0.023 0.000 0.981 148 K CB 0.396 32.920 32.500 0.040 0.000 0.795 148 K HN 0.672 nan 8.250 nan 0.000 0.477 149 E N 0.443 120.621 120.200 -0.037 0.000 2.392 149 E HA 0.309 4.659 4.350 -0.000 0.000 0.279 149 E C -1.108 175.431 176.600 -0.102 0.000 0.964 149 E CA -0.574 55.773 56.400 -0.089 0.000 0.777 149 E CB 2.134 31.698 29.700 -0.227 0.000 1.249 149 E HN -0.015 nan 8.360 nan 0.000 0.449 150 R N 1.359 121.802 120.500 -0.094 0.000 2.409 150 R HA 0.523 4.862 4.340 -0.000 0.000 0.313 150 R C -0.627 175.626 176.300 -0.078 0.000 0.953 150 R CA -0.525 55.528 56.100 -0.077 0.000 0.849 150 R CB 1.153 31.429 30.300 -0.041 0.000 1.171 150 R HN 0.292 nan 8.270 nan 0.000 0.458 151 L N 3.519 124.690 121.223 -0.086 0.000 2.298 151 L HA 0.391 4.731 4.340 -0.000 0.000 0.284 151 L C -0.104 176.792 176.870 0.044 0.000 1.013 151 L CA -0.811 54.023 54.840 -0.010 0.000 0.824 151 L CB 1.751 43.721 42.059 -0.149 0.000 1.221 151 L HN 0.391 nan 8.230 nan 0.000 0.418 152 Q N 2.258 122.104 119.800 0.076 0.000 2.327 152 Q HA 0.678 5.018 4.340 -0.000 0.000 0.254 152 Q C -0.350 175.720 176.000 0.116 0.000 0.952 152 Q CA -0.107 55.730 55.803 0.056 0.000 0.884 152 Q CB 1.771 30.520 28.738 0.018 0.000 1.224 152 Q HN 0.736 nan 8.270 nan 0.000 0.422 153 A N 2.019 124.886 122.820 0.080 0.000 2.459 153 A HA 0.311 4.631 4.320 -0.000 0.000 0.296 153 A C -0.628 176.990 177.584 0.056 0.000 1.039 153 A CA -0.698 51.410 52.037 0.119 0.000 0.698 153 A CB 1.311 20.382 19.000 0.117 0.000 1.261 153 A HN 0.728 nan 8.150 nan 0.000 0.405 154 D N 0.571 121.013 120.400 0.071 0.000 2.144 154 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 154 D C 0.043 176.175 176.300 -0.280 0.000 0.978 154 D CA 1.763 55.707 54.000 -0.093 0.000 0.833 154 D CB 0.085 40.878 40.800 -0.012 0.000 0.961 154 D HN 0.610 nan 8.370 nan 0.000 0.470 155 H N -0.977 118.213 119.070 0.199 0.000 2.759 155 H HA 0.415 4.970 4.556 -0.000 0.000 0.354 155 H C -0.488 174.953 175.328 0.189 0.000 1.074 155 H CA -0.545 55.643 56.048 0.234 0.000 1.226 155 H CB 1.638 31.668 29.762 0.448 0.000 1.648 155 H HN -0.131 nan 8.280 nan 0.000 0.529 156 I N 3.811 124.491 120.570 0.184 0.000 2.389 156 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 156 I C -0.642 175.575 176.117 0.167 0.000 0.999 156 I CA -0.861 60.515 61.300 0.127 0.000 1.129 156 I CB 2.097 40.112 38.000 0.026 0.000 1.288 156 I HN 0.148 nan 8.210 nan 0.000 0.444 157 L N 8.220 129.557 121.223 0.191 0.000 2.265 157 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 157 L C -0.827 176.119 176.870 0.126 0.000 1.033 157 L CA -0.179 54.780 54.840 0.198 0.000 0.814 157 L CB 0.931 43.114 42.059 0.207 0.000 1.203 157 L HN 0.425 nan 8.230 nan 0.000 0.423 158 L N 6.377 127.669 121.223 0.115 0.000 2.283 158 L HA 0.611 4.950 4.340 -0.000 0.000 0.287 158 L C 0.526 177.452 176.870 0.094 0.000 1.073 158 L CA -0.113 54.778 54.840 0.085 0.000 0.822 158 L CB 0.925 43.024 42.059 0.067 0.000 1.186 158 L HN 0.862 nan 8.230 nan 0.000 0.436 159 A N 1.150 124.023 122.820 0.088 0.000 3.106 159 A HA 0.241 4.561 4.320 -0.000 0.000 0.227 159 A C 0.871 178.512 177.584 0.094 0.000 0.920 159 A CA -0.163 51.933 52.037 0.098 0.000 1.088 159 A CB -0.077 18.989 19.000 0.110 0.000 1.233 159 A HN 0.706 nan 8.150 nan 0.000 0.503 160 T N -3.334 111.270 114.554 0.084 0.000 3.100 160 T HA 0.444 4.794 4.350 -0.000 0.000 0.253 160 T C 1.411 176.182 174.700 0.119 0.000 1.118 160 T CA 1.160 63.306 62.100 0.077 0.000 1.058 160 T CB -0.055 68.845 68.868 0.053 0.000 0.953 160 T HN 2.078 nan 8.240 nan 0.000 0.515 161 G N 1.676 110.555 108.800 0.131 0.000 2.512 161 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.254 161 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.254 161 G C -0.039 174.973 174.900 0.187 0.000 1.199 161 G CA 0.189 45.386 45.100 0.161 0.000 0.941 161 G HN 1.581 nan 8.290 nan 0.000 0.569 162 S N -1.375 114.468 115.700 0.238 0.000 2.732 162 S HA 0.803 5.273 4.470 -0.000 0.000 0.293 162 S C -0.979 173.864 174.600 0.406 0.000 1.159 162 S CA 0.202 58.560 58.200 0.263 0.000 0.847 162 S CB 2.657 65.977 63.200 0.200 0.000 1.169 162 S HN 1.772 nan 8.310 nan 0.000 0.501 163 W N 0.828 122.186 121.300 0.097 0.000 3.167 163 W HA 0.443 5.103 4.660 -0.000 0.000 0.324 163 W C -3.274 173.288 176.519 0.071 0.000 1.230 163 W CA -2.326 55.076 57.345 0.095 0.000 1.184 163 W CB 1.881 31.403 29.460 0.103 0.000 1.414 163 W HN 0.511 nan 8.180 nan 0.000 0.551 164 P HA -0.022 nan 4.420 nan 0.000 0.268 164 P C -0.833 176.450 177.300 -0.028 0.000 1.204 164 P CA 0.533 63.504 63.100 -0.215 0.000 0.768 164 P CB 0.581 32.049 31.700 -0.387 0.000 0.842 165 Q N 2.897 122.707 119.800 0.017 0.000 2.288 165 Q HA 0.336 4.676 4.340 -0.000 0.000 0.258 165 Q C -0.828 175.188 176.000 0.027 0.000 0.957 165 Q CA -0.164 55.673 55.803 0.057 0.000 0.919 165 Q CB 0.362 29.134 28.738 0.057 0.000 1.185 165 Q HN 0.330 nan 8.270 nan 0.000 0.408 166 M N 6.468 126.097 119.600 0.047 0.000 2.085 166 M HA 0.365 4.845 4.480 -0.000 0.000 0.309 166 M C -2.268 174.050 176.300 0.030 0.000 0.947 166 M CA -2.185 53.131 55.300 0.026 0.000 0.918 166 M CB 1.012 33.633 32.600 0.036 0.000 1.504 166 M HN 0.548 nan 8.290 nan 0.000 0.420 167 P HA 0.206 nan 4.420 nan 0.000 0.269 167 P C -0.437 176.871 177.300 0.013 0.000 1.215 167 P CA -0.295 62.815 63.100 0.017 0.000 0.780 167 P CB 0.682 32.386 31.700 0.007 0.000 0.898 168 A N 3.888 126.717 122.820 0.015 0.000 3.091 168 A HA 0.408 4.728 4.320 -0.000 0.000 0.264 168 A C 0.796 178.383 177.584 0.006 0.000 1.673 168 A CA -0.683 51.362 52.037 0.013 0.000 1.362 168 A CB -1.514 17.496 19.000 0.016 0.000 1.137 168 A HN 0.573 nan 8.150 nan 0.000 0.617 169 I N -2.091 118.478 120.570 -0.001 0.000 2.607 169 I HA 0.638 4.808 4.170 -0.000 0.000 0.305 169 I C -2.703 173.413 176.117 -0.003 0.000 0.995 169 I CA -3.077 58.217 61.300 -0.010 0.000 1.148 169 I CB 1.511 39.494 38.000 -0.030 0.000 1.323 169 I HN 0.034 nan 8.210 nan 0.000 0.461 170 P HA 0.143 nan 4.420 nan 0.000 0.264 170 P C 0.722 178.035 177.300 0.021 0.000 1.193 170 P CA 0.773 63.880 63.100 0.011 0.000 0.763 170 P CB 0.616 32.320 31.700 0.006 0.000 0.810 171 G N 2.826 111.661 108.800 0.059 0.000 2.143 171 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.249 171 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.249 171 G C 0.742 175.702 174.900 0.099 0.000 0.981 171 G CA 0.147 45.323 45.100 0.127 0.000 0.665 171 G HN 0.558 nan 8.290 nan 0.000 0.528 172 I N 1.726 122.320 120.570 0.039 0.000 2.423 172 I HA -0.103 4.067 4.170 -0.000 0.000 0.254 172 I C 2.503 178.618 176.117 -0.004 0.000 1.151 172 I CA 2.412 63.718 61.300 0.011 0.000 1.421 172 I CB -0.084 37.918 38.000 0.004 0.000 1.079 172 I HN 0.492 nan 8.210 nan 0.000 0.431 173 E N -0.625 119.559 120.200 -0.027 0.000 2.418 173 E HA -0.230 4.119 4.350 -0.000 0.000 0.197 173 E C 1.126 177.576 176.600 -0.251 0.000 1.026 173 E CA 1.190 57.515 56.400 -0.125 0.000 0.862 173 E CB -0.928 28.674 29.700 -0.164 0.000 0.799 173 E HN 0.638 nan 8.360 nan 0.000 0.518 174 H N -0.221 118.840 119.070 -0.016 0.000 2.526 174 H HA 0.205 4.761 4.556 -0.000 0.000 0.274 174 H C 0.170 175.474 175.328 -0.040 0.000 0.999 174 H CA -0.094 55.941 56.048 -0.023 0.000 1.157 174 H CB 0.158 29.907 29.762 -0.023 0.000 1.407 174 H HN 0.139 nan 8.280 nan 0.000 0.568 175 C N 1.542 120.850 119.300 0.015 0.000 2.358 175 C HA 0.527 4.987 4.460 -0.000 0.000 0.354 175 C C 1.089 176.051 174.990 -0.048 0.000 1.183 175 C CA -0.789 58.213 59.018 -0.026 0.000 2.150 175 C CB 1.156 28.872 27.740 -0.039 0.000 2.361 175 C HN 0.403 nan 8.230 nan 0.000 0.535 176 I N 0.279 120.804 120.570 -0.074 0.000 3.133 176 I HA 0.855 5.025 4.170 -0.000 0.000 0.311 176 I C 0.068 176.099 176.117 -0.144 0.000 1.072 176 I CA -0.185 61.058 61.300 -0.096 0.000 1.015 176 I CB 1.860 39.806 38.000 -0.091 0.000 1.233 176 I HN 0.678 nan 8.210 nan 0.000 0.473 177 S N 0.384 115.964 115.700 -0.200 0.000 2.798 177 S HA 0.356 4.826 4.470 -0.000 0.000 0.312 177 S C 1.037 175.429 174.600 -0.347 0.000 1.122 177 S CA 0.004 58.043 58.200 -0.268 0.000 0.949 177 S CB 1.101 64.112 63.200 -0.315 0.000 1.235 177 S HN 0.916 nan 8.310 nan 0.000 0.552 178 S N 1.437 116.891 115.700 -0.409 0.000 2.392 178 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 178 S C 1.465 175.925 174.600 -0.235 0.000 1.041 178 S CA 1.603 59.483 58.200 -0.534 0.000 1.026 178 S CB -1.191 61.797 63.200 -0.353 0.000 0.845 178 S HN 0.699 nan 8.310 nan 0.000 0.465 179 N N 2.098 120.643 118.700 -0.258 0.000 2.069 179 N HA -0.102 4.637 4.740 -0.000 0.000 0.191 179 N C 1.709 177.165 175.510 -0.090 0.000 1.031 179 N CA 1.876 54.752 53.050 -0.290 0.000 0.852 179 N CB -0.590 37.253 38.487 -1.074 0.000 1.018 179 N HN 0.592 nan 8.380 nan 0.000 0.423 180 E N 0.602 120.687 120.200 -0.191 0.000 2.208 180 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 180 E C 1.900 178.600 176.600 0.167 0.000 0.988 180 E CA 0.756 57.219 56.400 0.104 0.000 0.828 180 E CB -0.255 29.453 29.700 0.012 0.000 0.763 180 E HN 0.357 nan 8.360 nan 0.000 0.478 181 A N 0.248 123.043 122.820 -0.042 0.000 1.940 181 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 181 A C 1.650 179.302 177.584 0.113 0.000 1.176 181 A CA 1.031 53.043 52.037 -0.042 0.000 0.631 181 A CB -0.813 17.877 19.000 -0.516 0.000 0.814 181 A HN 0.252 nan 8.150 nan 0.000 0.446 182 F N -2.140 117.852 119.950 0.070 0.000 2.449 182 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 182 F C 1.094 176.595 175.800 -0.497 0.000 1.092 182 F CA 1.148 59.013 58.000 -0.225 0.000 1.446 182 F CB -0.286 38.461 39.000 -0.422 0.000 1.084 182 F HN 0.351 nan 8.300 nan 0.000 0.567 183 Y N -1.406 119.139 120.300 0.408 0.000 2.717 183 Y HA 0.322 4.871 4.550 -0.000 0.000 0.250 183 Y C 0.392 176.489 175.900 0.328 0.000 1.149 183 Y CA -1.082 57.216 58.100 0.330 0.000 1.211 183 Y CB -0.299 38.347 38.460 0.310 0.000 1.289 183 Y HN -0.268 nan 8.280 nan 0.000 0.552 184 L N 2.800 124.318 121.223 0.491 0.000 2.540 184 L HA 0.009 4.348 4.340 -0.000 0.000 0.276 184 L C -1.229 175.916 176.870 0.459 0.000 1.212 184 L CA -0.987 54.086 54.840 0.388 0.000 0.893 184 L CB 0.660 42.871 42.059 0.253 0.000 1.138 184 L HN 0.006 nan 8.230 nan 0.000 0.491 185 P HA -0.098 nan 4.420 nan 0.000 0.217 185 P C -0.311 177.164 177.300 0.292 0.000 1.150 185 P CA 1.325 64.581 63.100 0.259 0.000 0.832 185 P CB 0.310 32.101 31.700 0.153 0.000 0.787 186 E N -1.204 119.080 120.200 0.141 0.000 2.317 186 E HA 0.313 4.663 4.350 -0.000 0.000 0.270 186 E C -2.686 173.667 176.600 -0.412 0.000 0.885 186 E CA -2.701 53.699 56.400 -0.000 0.000 0.760 186 E CB 1.270 30.959 29.700 -0.017 0.000 1.227 186 E HN 0.017 nan 8.360 nan 0.000 0.434 187 P HA 0.177 nan 4.420 nan 0.000 0.276 187 P C -2.449 174.572 177.300 -0.464 0.000 1.243 187 P CA -1.276 61.282 63.100 -0.902 0.000 0.768 187 P CB -0.076 31.372 31.700 -0.420 0.000 0.856 188 P HA 0.181 nan 4.420 nan 0.000 0.271 188 P C 0.836 177.983 177.300 -0.254 0.000 1.216 188 P CA -0.126 62.748 63.100 -0.376 0.000 0.771 188 P CB 1.227 32.603 31.700 -0.540 0.000 0.864 189 R N 2.966 123.366 120.500 -0.167 0.000 2.055 189 R HA 0.017 4.357 4.340 -0.000 0.000 0.226 189 R C 0.505 176.747 176.300 -0.098 0.000 1.135 189 R CA 0.950 56.989 56.100 -0.102 0.000 0.959 189 R CB 0.229 30.488 30.300 -0.068 0.000 0.854 189 R HN 0.381 nan 8.270 nan 0.000 0.431 190 R N 0.744 121.177 120.500 -0.110 0.000 2.387 190 R HA 0.357 4.697 4.340 -0.000 0.000 0.314 190 R C -1.372 174.839 176.300 -0.148 0.000 0.958 190 R CA -0.593 55.449 56.100 -0.096 0.000 0.846 190 R CB 1.867 32.131 30.300 -0.060 0.000 1.147 190 R HN 0.098 nan 8.270 nan 0.000 0.447 191 V N 4.419 124.246 119.914 -0.146 0.000 2.760 191 V HA 0.439 4.559 4.120 -0.000 0.000 0.309 191 V C -1.581 174.454 176.094 -0.099 0.000 1.077 191 V CA -1.035 61.139 62.300 -0.210 0.000 0.910 191 V CB 2.372 33.913 31.823 -0.470 0.000 1.008 191 V HN 0.601 nan 8.190 nan 0.000 0.424 192 L N 6.513 127.688 121.223 -0.081 0.000 2.265 192 L HA 0.741 5.081 4.340 -0.000 0.000 0.289 192 L C 0.332 177.200 176.870 -0.003 0.000 1.033 192 L CA 0.405 55.240 54.840 -0.008 0.000 0.814 192 L CB 1.608 43.677 42.059 0.016 0.000 1.203 192 L HN 0.934 nan 8.230 nan 0.000 0.423 193 T N 2.461 117.049 114.554 0.057 0.000 2.799 193 T HA 0.644 4.994 4.350 -0.000 0.000 0.286 193 T C -0.281 174.459 174.700 0.067 0.000 0.973 193 T CA -0.697 61.446 62.100 0.071 0.000 1.035 193 T CB 1.112 70.062 68.868 0.136 0.000 0.932 193 T HN 0.311 nan 8.240 nan 0.000 0.469 194 V N 3.271 123.211 119.914 0.043 0.000 2.370 194 V HA 0.839 4.959 4.120 -0.000 0.000 0.283 194 V C 0.754 176.892 176.094 0.073 0.000 1.023 194 V CA 0.145 62.486 62.300 0.069 0.000 0.857 194 V CB 0.456 32.300 31.823 0.034 0.000 0.985 194 V HN 1.527 nan 8.190 nan 0.000 0.443 195 G N 3.393 112.274 108.800 0.134 0.000 2.535 195 G HA2 0.302 4.262 3.960 -0.000 0.000 0.662 195 G HA3 0.302 4.262 3.960 -0.000 0.000 0.662 195 G C 0.255 175.178 174.900 0.040 0.000 1.417 195 G CA -0.310 44.868 45.100 0.130 0.000 0.866 195 G HN 1.040 nan 8.290 nan 0.000 0.647 196 G N -0.254 108.459 108.800 -0.145 0.000 3.088 196 G HA2 0.566 4.526 3.960 -0.000 0.000 0.217 196 G HA3 0.566 4.526 3.960 -0.000 0.000 0.217 196 G C 0.995 175.710 174.900 -0.308 0.000 1.159 196 G CA 1.224 45.979 45.100 -0.575 0.000 0.760 196 G HN 1.354 nan 8.290 nan 0.000 0.550 197 G N -0.001 108.727 108.800 -0.121 0.000 2.525 197 G HA2 0.393 4.353 3.960 -0.000 0.000 0.287 197 G HA3 0.393 4.353 3.960 -0.000 0.000 0.287 197 G C 0.801 175.712 174.900 0.019 0.000 1.350 197 G CA -0.265 44.850 45.100 0.026 0.000 1.039 197 G HN 0.208 nan 8.290 nan 0.000 0.513 198 F N -1.129 118.836 119.950 0.025 0.000 2.234 198 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 198 F C 2.077 177.897 175.800 0.033 0.000 1.087 198 F CA 0.837 58.830 58.000 -0.011 0.000 1.340 198 F CB -0.502 38.520 39.000 0.036 0.000 1.031 198 F HN 0.177 nan 8.300 nan 0.000 0.500 199 I N 0.001 120.162 120.570 -0.683 0.000 2.286 199 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 199 I C 2.828 178.920 176.117 -0.042 0.000 1.104 199 I CA 1.314 62.362 61.300 -0.419 0.000 1.397 199 I CB -0.749 36.953 38.000 -0.496 0.000 1.072 199 I HN 0.329 nan 8.210 nan 0.000 0.417 200 S N 0.628 116.281 115.700 -0.079 0.000 2.353 200 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 200 S C 2.135 176.757 174.600 0.037 0.000 1.035 200 S CA 1.712 59.917 58.200 0.008 0.000 1.025 200 S CB -0.271 62.919 63.200 -0.017 0.000 0.902 200 S HN 0.222 nan 8.310 nan 0.000 0.440 201 V N 1.685 121.592 119.914 -0.012 0.000 2.407 201 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 201 V C 2.393 178.471 176.094 -0.026 0.000 1.055 201 V CA 2.128 64.414 62.300 -0.023 0.000 1.049 201 V CB -0.789 30.996 31.823 -0.062 0.000 0.662 201 V HN 0.530 nan 8.190 nan 0.000 0.455 202 E N -0.733 119.449 120.200 -0.031 0.000 2.072 202 E HA -0.153 4.196 4.350 -0.000 0.000 0.190 202 E C 2.078 178.516 176.600 -0.270 0.000 0.982 202 E CA 1.236 57.572 56.400 -0.107 0.000 0.803 202 E CB -0.169 29.490 29.700 -0.067 0.000 0.755 202 E HN 0.581 nan 8.360 nan 0.000 0.453 203 F N 0.924 120.749 119.950 -0.209 0.000 2.206 203 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 203 F C 2.361 177.969 175.800 -0.320 0.000 1.090 203 F CA 0.922 58.672 58.000 -0.417 0.000 1.323 203 F CB -0.451 38.317 39.000 -0.387 0.000 1.028 203 F HN -0.012 nan 8.300 nan 0.000 0.492 204 A N 0.325 123.201 122.820 0.094 0.000 1.873 204 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 204 A C 2.573 180.193 177.584 0.060 0.000 1.193 204 A CA 2.110 54.231 52.037 0.139 0.000 0.629 204 A CB -1.659 17.396 19.000 0.091 0.000 0.826 204 A HN 0.412 nan 8.150 nan 0.000 0.447 205 G N -0.409 108.380 108.800 -0.018 0.000 2.422 205 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 205 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 205 G C 1.533 176.421 174.900 -0.019 0.000 1.146 205 G CA 1.079 46.166 45.100 -0.021 0.000 0.769 205 G HN 0.491 nan 8.290 nan 0.000 0.547 206 I N -0.106 120.384 120.570 -0.133 0.000 2.113 206 I HA -0.142 4.028 4.170 -0.000 0.000 0.238 206 I C 2.438 178.620 176.117 0.109 0.000 1.070 206 I CA 1.025 62.266 61.300 -0.099 0.000 1.332 206 I CB -0.262 37.482 38.000 -0.426 0.000 1.044 206 I HN 0.057 nan 8.210 nan 0.000 0.402 207 F N 0.843 120.885 119.950 0.154 0.000 2.171 207 F HA -0.200 4.326 4.527 -0.000 0.000 0.300 207 F C 2.319 178.168 175.800 0.080 0.000 1.090 207 F CA 1.417 59.469 58.000 0.087 0.000 1.293 207 F CB -1.362 37.643 39.000 0.008 0.000 1.013 207 F HN 0.155 nan 8.300 nan 0.000 0.486 208 N N 0.438 119.278 118.700 0.234 0.000 2.149 208 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 208 N C 1.752 177.322 175.510 0.100 0.000 1.019 208 N CA 1.452 54.580 53.050 0.130 0.000 0.857 208 N CB -0.225 38.307 38.487 0.075 0.000 0.997 208 N HN 0.192 nan 8.380 nan 0.000 0.426 209 A N -1.517 121.373 122.820 0.116 0.000 1.975 209 A HA 0.044 4.363 4.320 -0.000 0.000 0.215 209 A C 1.241 178.785 177.584 -0.066 0.000 1.170 209 A CA 0.704 52.744 52.037 0.004 0.000 0.656 209 A CB -0.480 18.497 19.000 -0.037 0.000 0.821 209 A HN 0.457 nan 8.150 nan 0.000 0.449 210 Y N 0.912 121.313 120.300 0.170 0.000 2.458 210 Y HA 0.141 4.691 4.550 -0.000 0.000 0.256 210 Y C 0.776 176.742 175.900 0.111 0.000 1.159 210 Y CA -0.223 58.003 58.100 0.210 0.000 1.261 210 Y CB 0.194 38.913 38.460 0.432 0.000 1.119 210 Y HN 0.298 nan 8.280 nan 0.000 0.524 211 K N 1.137 121.632 120.400 0.159 0.000 2.436 211 K HA 0.183 4.503 4.320 -0.000 0.000 0.275 211 K C -2.754 173.876 176.600 0.050 0.000 0.999 211 K CA -1.583 54.742 56.287 0.064 0.000 0.980 211 K CB -0.072 32.451 32.500 0.038 0.000 0.919 211 K HN -0.080 nan 8.250 nan 0.000 0.484 212 P HA 0.181 nan 4.420 nan 0.000 0.274 212 P C -2.527 174.784 177.300 0.018 0.000 1.260 212 P CA -1.469 61.648 63.100 0.028 0.000 0.793 212 P CB -0.476 31.231 31.700 0.012 0.000 1.048 213 P HA 0.072 nan 4.420 nan 0.000 0.265 213 P C 0.938 178.242 177.300 0.007 0.000 1.187 213 P CA 1.375 64.484 63.100 0.015 0.000 0.766 213 P CB -0.133 31.577 31.700 0.017 0.000 0.820 214 G N 1.644 110.447 108.800 0.004 0.000 2.184 214 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.264 214 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.264 214 G C 0.717 175.613 174.900 -0.006 0.000 0.975 214 G CA -0.024 45.076 45.100 -0.001 0.000 0.642 214 G HN 0.899 nan 8.290 nan 0.000 0.536 215 G N -0.621 108.175 108.800 -0.005 0.000 2.683 215 G HA2 0.554 4.513 3.960 -0.000 0.000 0.260 215 G HA3 0.554 4.513 3.960 -0.000 0.000 0.260 215 G C -0.042 174.852 174.900 -0.010 0.000 1.238 215 G CA 0.716 45.809 45.100 -0.013 0.000 0.934 215 G HN 1.186 nan 8.290 nan 0.000 0.534 216 K N -1.097 119.295 120.400 -0.014 0.000 2.575 216 K HA 0.322 4.642 4.320 -0.000 0.000 0.271 216 K C -1.421 175.175 176.600 -0.006 0.000 1.013 216 K CA -0.471 55.811 56.287 -0.008 0.000 0.939 216 K CB 1.249 33.742 32.500 -0.012 0.000 1.328 216 K HN 0.383 nan 8.250 nan 0.000 0.450 217 V N 3.776 123.700 119.914 0.016 0.000 2.439 217 V HA 0.545 4.665 4.120 -0.000 0.000 0.282 217 V C -0.304 175.808 176.094 0.029 0.000 1.039 217 V CA -0.369 61.952 62.300 0.036 0.000 0.913 217 V CB 1.666 33.547 31.823 0.096 0.000 0.983 217 V HN 0.857 nan 8.190 nan 0.000 0.460 218 T N 6.298 120.870 114.554 0.030 0.000 2.823 218 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 218 T C -0.572 174.163 174.700 0.059 0.000 0.998 218 T CA -0.328 61.793 62.100 0.035 0.000 0.994 218 T CB 1.550 70.440 68.868 0.036 0.000 0.960 218 T HN 0.528 nan 8.240 nan 0.000 0.448 219 L N 3.951 125.206 121.223 0.054 0.000 2.322 219 L HA 0.771 5.111 4.340 -0.000 0.000 0.281 219 L C -0.395 176.527 176.870 0.086 0.000 1.014 219 L CA -0.637 54.246 54.840 0.072 0.000 0.815 219 L CB 0.479 42.570 42.059 0.053 0.000 1.247 219 L HN 0.994 nan 8.230 nan 0.000 0.421 220 C N 2.897 122.276 119.300 0.132 0.000 2.614 220 C HA 0.779 5.238 4.460 -0.000 0.000 0.320 220 C C -0.981 174.152 174.990 0.239 0.000 1.200 220 C CA -0.905 58.210 59.018 0.162 0.000 1.700 220 C CB 1.153 29.035 27.740 0.236 0.000 2.275 220 C HN 0.845 nan 8.230 nan 0.000 0.492 221 Y N 2.533 122.861 120.300 0.047 0.000 2.482 221 Y HA 0.497 5.047 4.550 -0.000 0.000 0.334 221 Y C 1.102 177.025 175.900 0.039 0.000 1.091 221 Y CA -0.979 57.147 58.100 0.042 0.000 1.027 221 Y CB 1.333 39.810 38.460 0.028 0.000 1.306 221 Y HN 0.947 nan 8.280 nan 0.000 0.446 222 R N 2.296 122.505 120.500 -0.484 0.000 2.148 222 R HA 0.024 4.364 4.340 -0.000 0.000 0.227 222 R C -0.734 175.238 176.300 -0.547 0.000 1.103 222 R CA 1.230 57.090 56.100 -0.400 0.000 0.983 222 R CB -0.263 29.892 30.300 -0.241 0.000 0.874 222 R HN 0.667 nan 8.270 nan 0.000 0.451 223 N N 0.384 118.425 118.700 -1.098 0.000 2.643 223 N HA 0.056 4.796 4.740 -0.000 0.000 0.305 223 N C 0.082 175.451 175.510 -0.235 0.000 1.283 223 N CA -0.289 52.427 53.050 -0.556 0.000 0.946 223 N CB 0.619 38.879 38.487 -0.377 0.000 1.149 223 N HN 0.230 nan 8.380 nan 0.000 0.600 224 N N -0.488 118.202 118.700 -0.017 0.000 2.422 224 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 224 N C -0.702 174.885 175.510 0.129 0.000 1.080 224 N CA 0.302 53.377 53.050 0.042 0.000 0.893 224 N CB 0.404 38.900 38.487 0.015 0.000 0.973 224 N HN 0.246 nan 8.380 nan 0.000 0.456 225 L N 1.343 122.711 121.223 0.242 0.000 2.470 225 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 225 L C -0.425 176.555 176.870 0.184 0.000 0.964 225 L CA -1.288 53.665 54.840 0.189 0.000 0.839 225 L CB 1.484 43.605 42.059 0.104 0.000 1.276 225 L HN 0.209 nan 8.230 nan 0.000 0.403 226 I N 2.285 122.871 120.570 0.025 0.000 3.292 226 I HA 0.202 4.372 4.170 -0.000 0.000 0.279 226 I C 0.361 176.361 176.117 -0.194 0.000 1.268 226 I CA -0.435 60.699 61.300 -0.277 0.000 1.342 226 I CB 0.135 38.013 38.000 -0.203 0.000 1.366 226 I HN 0.803 nan 8.210 nan 0.000 0.615 227 L N 0.321 121.402 121.223 -0.236 0.000 3.608 227 L HA -0.180 4.160 4.340 -0.000 0.000 0.422 227 L C 0.624 177.613 176.870 0.199 0.000 1.260 227 L CA 0.358 55.198 54.840 -0.001 0.000 0.889 227 L CB -1.619 40.365 42.059 -0.124 0.000 1.821 227 L HN 0.709 nan 8.230 nan 0.000 0.884 228 R N 0.232 120.788 120.500 0.093 0.000 2.638 228 R HA 0.220 4.560 4.340 -0.000 0.000 0.268 228 R C 1.490 177.853 176.300 0.106 0.000 1.006 228 R CA 1.501 57.668 56.100 0.112 0.000 1.088 228 R CB 0.254 30.622 30.300 0.115 0.000 0.950 228 R HN 0.496 nan 8.270 nan 0.000 0.419 229 G N 2.101 110.908 108.800 0.012 0.000 2.284 229 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.230 229 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.230 229 G C -0.046 174.679 174.900 -0.292 0.000 1.021 229 G CA -0.292 44.718 45.100 -0.151 0.000 0.619 229 G HN 0.476 nan 8.290 nan 0.000 0.510 230 F N 1.817 121.730 119.950 -0.061 0.000 2.380 230 F HA 0.503 5.030 4.527 -0.000 0.000 0.319 230 F C 0.918 176.625 175.800 -0.155 0.000 1.113 230 F CA -0.352 57.588 58.000 -0.099 0.000 1.056 230 F CB 0.527 39.482 39.000 -0.076 0.000 1.289 230 F HN 0.051 nan 8.300 nan 0.000 0.515 231 D N 1.372 121.743 120.400 -0.048 0.000 2.493 231 D HA -0.094 4.545 4.640 -0.000 0.000 0.240 231 D C 0.860 177.143 176.300 -0.030 0.000 1.142 231 D CA 0.243 54.138 54.000 -0.174 0.000 0.872 231 D CB 0.901 41.528 40.800 -0.288 0.000 1.173 231 D HN 0.791 nan 8.370 nan 0.000 0.467 232 E N 2.089 122.278 120.200 -0.019 0.000 2.077 232 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 232 E C 1.447 178.056 176.600 0.014 0.000 0.989 232 E CA 1.444 57.853 56.400 0.015 0.000 0.800 232 E CB 0.196 29.914 29.700 0.030 0.000 0.746 232 E HN 0.568 nan 8.360 nan 0.000 0.452 233 T N 1.037 115.604 114.554 0.022 0.000 2.684 233 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 233 T C 1.865 176.558 174.700 -0.012 0.000 1.036 233 T CA 1.409 63.519 62.100 0.017 0.000 1.148 233 T CB -0.197 68.696 68.868 0.041 0.000 0.863 233 T HN 0.192 nan 8.240 nan 0.000 0.436 234 I N 0.614 121.171 120.570 -0.021 0.000 2.315 234 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 234 I C 2.724 178.806 176.117 -0.059 0.000 1.117 234 I CA 1.223 62.491 61.300 -0.054 0.000 1.404 234 I CB -0.232 37.739 38.000 -0.048 0.000 1.071 234 I HN 0.149 nan 8.210 nan 0.000 0.419 235 R N 0.681 121.164 120.500 -0.029 0.000 2.081 235 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 235 R C 2.131 178.410 176.300 -0.035 0.000 1.131 235 R CA 1.445 57.524 56.100 -0.035 0.000 0.960 235 R CB -0.347 29.955 30.300 0.003 0.000 0.856 235 R HN 0.442 nan 8.270 nan 0.000 0.436 236 E N 0.350 120.539 120.200 -0.019 0.000 2.077 236 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 236 E C 1.978 178.562 176.600 -0.027 0.000 0.989 236 E CA 0.766 57.156 56.400 -0.016 0.000 0.800 236 E CB 0.029 29.725 29.700 -0.007 0.000 0.746 236 E HN 0.233 nan 8.360 nan 0.000 0.452 237 E N 0.700 120.878 120.200 -0.036 0.000 2.047 237 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 237 E C 2.233 178.802 176.600 -0.051 0.000 0.987 237 E CA 0.432 56.807 56.400 -0.041 0.000 0.799 237 E CB -0.399 29.266 29.700 -0.058 0.000 0.752 237 E HN 0.083 nan 8.360 nan 0.000 0.449 238 V N 1.121 120.990 119.914 -0.076 0.000 2.392 238 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 238 V C 2.012 178.066 176.094 -0.067 0.000 1.059 238 V CA 2.404 64.653 62.300 -0.086 0.000 1.051 238 V CB -0.547 31.196 31.823 -0.133 0.000 0.658 238 V HN 0.303 nan 8.190 nan 0.000 0.455 239 T N -0.316 114.204 114.554 -0.058 0.000 2.684 239 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 239 T C 1.895 176.566 174.700 -0.047 0.000 1.036 239 T CA 1.922 63.994 62.100 -0.046 0.000 1.148 239 T CB -0.251 68.599 68.868 -0.030 0.000 0.863 239 T HN 0.496 nan 8.240 nan 0.000 0.436 240 K N 0.730 121.106 120.400 -0.039 0.000 2.063 240 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 240 K C 2.638 179.201 176.600 -0.061 0.000 1.048 240 K CA 1.333 57.596 56.287 -0.041 0.000 0.928 240 K CB -0.115 32.375 32.500 -0.016 0.000 0.713 240 K HN 0.454 nan 8.250 nan 0.000 0.442 241 Q N 0.389 120.173 119.800 -0.027 0.000 2.137 241 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 241 Q C 2.206 178.159 176.000 -0.078 0.000 0.960 241 Q CA 0.764 56.574 55.803 0.012 0.000 0.847 241 Q CB 0.005 28.805 28.738 0.103 0.000 0.915 241 Q HN 0.258 nan 8.270 nan 0.000 0.448 242 L N 0.123 121.305 121.223 -0.068 0.000 1.989 242 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 242 L C 2.439 179.243 176.870 -0.110 0.000 1.071 242 L CA 1.468 56.263 54.840 -0.075 0.000 0.749 242 L CB -0.831 41.195 42.059 -0.055 0.000 0.890 242 L HN 0.222 nan 8.230 nan 0.000 0.431 243 T N -0.125 114.361 114.554 -0.113 0.000 2.720 243 T HA -0.195 4.154 4.350 -0.000 0.000 0.268 243 T C 1.990 176.571 174.700 -0.198 0.000 1.037 243 T CA 1.312 63.338 62.100 -0.122 0.000 1.144 243 T CB -0.320 68.492 68.868 -0.093 0.000 0.864 243 T HN 0.461 nan 8.240 nan 0.000 0.444 244 A N 1.818 124.443 122.820 -0.326 0.000 1.972 244 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 244 A C 2.035 179.282 177.584 -0.561 0.000 1.169 244 A CA 1.463 53.153 52.037 -0.578 0.000 0.635 244 A CB -0.536 17.748 19.000 -1.193 0.000 0.810 244 A HN 0.414 nan 8.150 nan 0.000 0.446 245 N N -0.982 117.473 118.700 -0.407 0.000 2.313 245 N HA 0.227 4.967 4.740 -0.000 0.000 0.207 245 N C 0.903 176.347 175.510 -0.110 0.000 1.141 245 N CA 0.941 53.866 53.050 -0.208 0.000 0.830 245 N CB 0.002 38.436 38.487 -0.087 0.000 1.008 245 N HN 0.558 nan 8.380 nan 0.000 0.481 246 G N -0.047 108.681 108.800 -0.119 0.000 2.175 246 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 246 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 246 G C 0.058 174.931 174.900 -0.045 0.000 0.982 246 G CA 0.027 45.086 45.100 -0.069 0.000 0.641 246 G HN 0.317 nan 8.290 nan 0.000 0.527 247 I N 1.631 122.174 120.570 -0.045 0.000 2.416 247 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 247 I C 0.768 176.868 176.117 -0.030 0.000 1.051 247 I CA -0.238 61.049 61.300 -0.021 0.000 1.375 247 I CB 1.211 39.205 38.000 -0.010 0.000 1.407 247 I HN 0.313 nan 8.210 nan 0.000 0.516 248 E N 7.790 127.979 120.200 -0.019 0.000 2.152 248 E HA 0.220 4.570 4.350 -0.000 0.000 0.285 248 E C -0.931 175.659 176.600 -0.016 0.000 1.043 248 E CA -0.672 55.713 56.400 -0.025 0.000 0.839 248 E CB 0.729 30.413 29.700 -0.026 0.000 1.069 248 E HN 0.388 nan 8.360 nan 0.000 0.399 249 I N 6.037 126.595 120.570 -0.021 0.000 2.291 249 I HA 0.156 4.325 4.170 -0.000 0.000 0.290 249 I C 0.144 176.251 176.117 -0.017 0.000 1.050 249 I CA -0.321 60.974 61.300 -0.007 0.000 1.245 249 I CB 0.519 38.515 38.000 -0.006 0.000 1.405 249 I HN 0.725 nan 8.210 nan 0.000 0.478 250 M N 6.515 126.103 119.600 -0.021 0.000 2.365 250 M HA 0.157 4.636 4.480 -0.000 0.000 0.350 250 M C 0.514 176.797 176.300 -0.028 0.000 1.274 250 M CA -0.324 54.934 55.300 -0.071 0.000 1.252 250 M CB 0.456 32.956 32.600 -0.166 0.000 1.297 250 M HN 0.576 nan 8.290 nan 0.000 0.438 251 T N -1.252 113.296 114.554 -0.009 0.000 2.816 251 T HA 0.290 4.639 4.350 -0.000 0.000 0.282 251 T C 0.882 175.550 174.700 -0.054 0.000 0.993 251 T CA -0.747 61.363 62.100 0.017 0.000 0.994 251 T CB 0.649 69.546 68.868 0.049 0.000 1.025 251 T HN 0.743 nan 8.240 nan 0.000 0.529 252 N N 0.492 119.141 118.700 -0.086 0.000 2.708 252 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 252 N C -0.708 174.748 175.510 -0.090 0.000 1.097 252 N CA 0.908 53.895 53.050 -0.104 0.000 0.710 252 N CB -0.717 37.725 38.487 -0.075 0.000 1.032 252 N HN 0.721 nan 8.380 nan 0.000 0.551 253 E N 0.589 120.741 120.200 -0.080 0.000 2.266 253 E HA 0.494 4.843 4.350 -0.000 0.000 0.268 253 E C -0.585 176.095 176.600 0.134 0.000 0.879 253 E CA -0.593 55.786 56.400 -0.035 0.000 0.762 253 E CB 2.125 31.656 29.700 -0.281 0.000 1.199 253 E HN 0.157 nan 8.360 nan 0.000 0.422 254 N N 1.814 120.686 118.700 0.286 0.000 2.425 254 N HA 0.345 5.085 4.740 -0.000 0.000 0.289 254 N C -2.982 172.630 175.510 0.171 0.000 1.074 254 N CA -1.781 51.398 53.050 0.215 0.000 0.905 254 N CB 1.929 40.456 38.487 0.066 0.000 1.586 254 N HN -0.013 nan 8.380 nan 0.000 0.490 255 P HA 0.113 nan 4.420 nan 0.000 0.264 255 P C -0.498 176.705 177.300 -0.162 0.000 1.193 255 P CA 0.136 63.022 63.100 -0.356 0.000 0.763 255 P CB 0.960 32.452 31.700 -0.347 0.000 0.810 256 A N 4.401 127.124 122.820 -0.161 0.000 2.035 256 A HA 0.164 4.484 4.320 -0.000 0.000 0.208 256 A C 0.466 177.999 177.584 -0.086 0.000 1.206 256 A CA 1.012 53.001 52.037 -0.080 0.000 0.773 256 A CB -0.112 18.864 19.000 -0.040 0.000 0.878 256 A HN 0.590 nan 8.150 nan 0.000 0.469 257 K N -2.040 118.282 120.400 -0.130 0.000 2.579 257 K HA 0.663 4.983 4.320 -0.000 0.000 0.284 257 K C -1.787 174.728 176.600 -0.141 0.000 0.990 257 K CA -0.792 55.435 56.287 -0.100 0.000 0.880 257 K CB 1.734 34.203 32.500 -0.051 0.000 1.488 257 K HN -0.088 nan 8.250 nan 0.000 0.425 258 V N 1.282 121.144 119.914 -0.088 0.000 2.638 258 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 258 V C -0.800 175.263 176.094 -0.052 0.000 1.052 258 V CA -0.598 61.649 62.300 -0.088 0.000 0.885 258 V CB 1.716 33.500 31.823 -0.065 0.000 0.999 258 V HN 0.975 nan 8.190 nan 0.000 0.424 259 S N 4.107 119.779 115.700 -0.048 0.000 2.600 259 S HA 0.843 5.313 4.470 -0.000 0.000 0.300 259 S C -0.900 173.601 174.600 -0.164 0.000 1.087 259 S CA -0.787 57.356 58.200 -0.094 0.000 0.965 259 S CB 2.123 65.311 63.200 -0.019 0.000 1.089 259 S HN 0.652 nan 8.310 nan 0.000 0.496 260 L N 2.348 123.386 121.223 -0.307 0.000 2.305 260 L HA 0.499 4.838 4.340 -0.000 0.000 0.281 260 L C -0.575 176.217 176.870 -0.130 0.000 1.085 260 L CA -0.081 54.596 54.840 -0.271 0.000 0.813 260 L CB 0.276 42.105 42.059 -0.384 0.000 1.157 260 L HN 0.676 nan 8.230 nan 0.000 0.436 261 N N 1.632 120.285 118.700 -0.079 0.000 2.508 261 N HA 0.216 4.955 4.740 -0.000 0.000 0.285 261 N C 1.081 176.561 175.510 -0.050 0.000 1.144 261 N CA 0.432 53.447 53.050 -0.059 0.000 0.978 261 N CB 1.550 40.016 38.487 -0.036 0.000 1.180 261 N HN 0.782 nan 8.380 nan 0.000 0.484 262 T N -2.175 112.352 114.554 -0.045 0.000 2.803 262 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 262 T C 0.806 175.492 174.700 -0.023 0.000 1.052 262 T CA 1.520 63.600 62.100 -0.033 0.000 1.136 262 T CB -0.344 68.505 68.868 -0.031 0.000 0.864 262 T HN 0.617 nan 8.240 nan 0.000 0.467 263 D N 0.982 121.368 120.400 -0.023 0.000 2.352 263 D HA 0.260 4.900 4.640 -0.000 0.000 0.232 263 D C 1.669 177.961 176.300 -0.014 0.000 1.055 263 D CA 0.587 54.578 54.000 -0.016 0.000 0.891 263 D CB -0.907 39.883 40.800 -0.016 0.000 0.897 263 D HN 0.642 nan 8.370 nan 0.000 0.529 264 G N -0.109 108.682 108.800 -0.016 0.000 2.199 264 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.254 264 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.254 264 G C 0.606 175.498 174.900 -0.013 0.000 0.982 264 G CA 0.569 45.664 45.100 -0.008 0.000 0.632 264 G HN 0.868 nan 8.290 nan 0.000 0.529 265 S N -0.561 115.127 115.700 -0.021 0.000 2.617 265 S HA 0.658 5.128 4.470 -0.000 0.000 0.255 265 S C 0.042 174.627 174.600 -0.025 0.000 1.318 265 S CA 0.458 58.644 58.200 -0.024 0.000 0.978 265 S CB 1.342 64.529 63.200 -0.021 0.000 0.961 265 S HN 0.375 nan 8.310 nan 0.000 0.582 266 K N 0.345 120.731 120.400 -0.022 0.000 2.292 266 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 266 K C -1.186 175.420 176.600 0.010 0.000 0.940 266 K CA -0.423 55.850 56.287 -0.024 0.000 0.811 266 K CB 1.234 33.710 32.500 -0.040 0.000 1.120 266 K HN 0.746 nan 8.250 nan 0.000 0.428 267 H N 1.748 120.767 119.070 -0.085 0.000 2.640 267 H HA 0.418 4.974 4.556 -0.000 0.000 0.297 267 H C -1.027 174.246 175.328 -0.092 0.000 1.073 267 H CA -0.569 55.437 56.048 -0.071 0.000 1.305 267 H CB 0.457 30.180 29.762 -0.065 0.000 1.404 267 H HN 0.230 nan 8.280 nan 0.000 0.459 268 V N 5.589 125.236 119.914 -0.445 0.000 2.439 268 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 268 V C 0.189 175.945 176.094 -0.563 0.000 1.039 268 V CA -0.560 61.458 62.300 -0.469 0.000 0.913 268 V CB 1.610 33.150 31.823 -0.473 0.000 0.983 268 V HN 0.881 nan 8.190 nan 0.000 0.460 269 T N 5.509 119.793 114.554 -0.450 0.000 2.779 269 T HA 0.622 4.971 4.350 -0.000 0.000 0.280 269 T C -0.443 174.075 174.700 -0.302 0.000 0.987 269 T CA -0.113 61.829 62.100 -0.264 0.000 0.966 269 T CB 0.607 69.405 68.868 -0.116 0.000 0.933 269 T HN 0.276 nan 8.240 nan 0.000 0.442 270 F N 1.015 120.920 119.950 -0.076 0.000 2.370 270 F HA 0.302 4.829 4.527 -0.000 0.000 0.319 270 F C 1.979 177.756 175.800 -0.038 0.000 1.129 270 F CA -0.762 57.206 58.000 -0.053 0.000 1.109 270 F CB 0.658 39.629 39.000 -0.049 0.000 1.262 270 F HN 0.632 nan 8.300 nan 0.000 0.534 271 E N 0.097 120.388 120.200 0.151 0.000 2.219 271 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 271 E C 1.907 178.549 176.600 0.069 0.000 0.998 271 E CA 1.623 58.069 56.400 0.077 0.000 0.818 271 E CB -0.137 29.595 29.700 0.053 0.000 0.741 271 E HN 0.621 nan 8.360 nan 0.000 0.477 272 S N -1.467 114.288 115.700 0.091 0.000 2.527 272 S HA 0.166 4.636 4.470 -0.000 0.000 0.222 272 S C 1.637 176.265 174.600 0.047 0.000 0.985 272 S CA 0.427 58.654 58.200 0.045 0.000 0.921 272 S CB 0.751 63.957 63.200 0.010 0.000 0.772 272 S HN 0.391 nan 8.310 nan 0.000 0.529 273 G N 1.162 110.010 108.800 0.080 0.000 2.259 273 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 273 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 273 G C 0.055 175.005 174.900 0.084 0.000 1.001 273 G CA -0.176 44.964 45.100 0.067 0.000 0.627 273 G HN 0.550 nan 8.290 nan 0.000 0.501 274 K N 1.451 121.903 120.400 0.088 0.000 2.455 274 K HA 0.415 4.735 4.320 -0.000 0.000 0.269 274 K C 0.642 177.376 176.600 0.222 0.000 0.972 274 K CA 1.297 57.641 56.287 0.094 0.000 0.938 274 K CB 0.249 32.728 32.500 -0.036 0.000 0.931 274 K HN 0.564 nan 8.250 nan 0.000 0.507 275 T N -1.168 113.484 114.554 0.163 0.000 2.883 275 T HA 0.673 5.023 4.350 -0.000 0.000 0.296 275 T C -1.300 173.468 174.700 0.113 0.000 1.117 275 T CA -1.067 61.087 62.100 0.089 0.000 1.006 275 T CB 1.379 70.256 68.868 0.016 0.000 1.191 275 T HN 0.338 nan 8.240 nan 0.000 0.508 276 L N 0.970 122.207 121.223 0.023 0.000 2.565 276 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 276 L C -1.961 174.909 176.870 -0.000 0.000 0.932 276 L CA -0.368 54.514 54.840 0.071 0.000 0.878 276 L CB 2.268 44.444 42.059 0.196 0.000 1.333 276 L HN 0.787 nan 8.230 nan 0.000 0.409 277 D N 4.308 124.738 120.400 0.049 0.000 2.232 277 D HA 0.633 5.273 4.640 -0.000 0.000 0.242 277 D C -0.340 175.964 176.300 0.008 0.000 1.093 277 D CA 0.183 54.213 54.000 0.049 0.000 0.845 277 D CB 2.077 42.927 40.800 0.084 0.000 1.124 277 D HN 0.428 nan 8.370 nan 0.000 0.467 278 V N -0.752 119.151 119.914 -0.019 0.000 3.160 278 V HA 0.418 4.538 4.120 -0.000 0.000 0.310 278 V C 0.344 176.401 176.094 -0.062 0.000 1.181 278 V CA -0.795 61.478 62.300 -0.045 0.000 1.047 278 V CB 2.418 34.206 31.823 -0.058 0.000 1.068 278 V HN 0.222 nan 8.190 nan 0.000 0.441 279 D N 0.163 120.508 120.400 -0.092 0.000 2.213 279 D HA 0.168 4.808 4.640 -0.000 0.000 0.205 279 D C 0.335 176.565 176.300 -0.118 0.000 0.961 279 D CA 1.353 55.293 54.000 -0.099 0.000 0.853 279 D CB 1.033 41.761 40.800 -0.119 0.000 0.967 279 D HN 0.359 nan 8.370 nan 0.000 0.496 280 V N 0.929 120.745 119.914 -0.164 0.000 2.808 280 V HA 0.267 4.387 4.120 -0.000 0.000 0.308 280 V C -0.574 175.420 176.094 -0.167 0.000 1.099 280 V CA -0.808 61.383 62.300 -0.181 0.000 0.920 280 V CB 3.148 34.794 31.823 -0.295 0.000 1.014 280 V HN -0.272 nan 8.190 nan 0.000 0.425 281 V N 5.198 125.037 119.914 -0.124 0.000 2.326 281 V HA 0.447 4.567 4.120 -0.000 0.000 0.281 281 V C -0.066 175.964 176.094 -0.106 0.000 1.015 281 V CA -0.290 61.947 62.300 -0.105 0.000 0.823 281 V CB 1.492 33.262 31.823 -0.088 0.000 1.009 281 V HN 0.882 nan 8.190 nan 0.000 0.436 282 M N 6.217 125.753 119.600 -0.106 0.000 2.063 282 M HA 0.475 4.954 4.480 -0.000 0.000 0.348 282 M C -0.655 175.592 176.300 -0.089 0.000 1.180 282 M CA -0.385 54.847 55.300 -0.114 0.000 1.059 282 M CB 0.822 33.356 32.600 -0.109 0.000 1.544 282 M HN 0.469 nan 8.290 nan 0.000 0.447 283 M N 4.191 123.732 119.600 -0.098 0.000 2.146 283 M HA 0.285 4.765 4.480 -0.000 0.000 0.352 283 M C 0.036 176.277 176.300 -0.097 0.000 1.343 283 M CA 0.113 55.368 55.300 -0.074 0.000 1.115 283 M CB 0.678 33.238 32.600 -0.066 0.000 1.657 283 M HN 0.787 nan 8.290 nan 0.000 0.471 284 A N 4.575 127.354 122.820 -0.068 0.000 2.992 284 A HA 0.372 4.691 4.320 -0.000 0.000 0.263 284 A C 0.775 178.338 177.584 -0.035 0.000 0.928 284 A CA -0.434 51.551 52.037 -0.086 0.000 1.061 284 A CB -0.460 18.473 19.000 -0.112 0.000 1.173 284 A HN 0.935 nan 8.150 nan 0.000 0.482 285 I N -3.512 117.057 120.570 -0.003 0.000 3.564 285 I HA 0.535 4.705 4.170 -0.000 0.000 0.294 285 I C 0.716 176.862 176.117 0.048 0.000 1.289 285 I CA 0.501 61.828 61.300 0.045 0.000 1.325 285 I CB 0.183 38.217 38.000 0.057 0.000 1.039 285 I HN 0.360 nan 8.210 nan 0.000 0.474 286 G N 0.956 109.769 108.800 0.021 0.000 2.340 286 G HA2 0.399 4.359 3.960 -0.000 0.000 0.300 286 G HA3 0.399 4.359 3.960 -0.000 0.000 0.300 286 G C -1.572 173.349 174.900 0.035 0.000 1.488 286 G CA -1.135 43.992 45.100 0.045 0.000 0.878 286 G HN 0.159 nan 8.290 nan 0.000 0.618 287 R N -0.310 120.231 120.500 0.069 0.000 2.575 287 R HA 0.648 4.988 4.340 -0.000 0.000 0.293 287 R C -0.187 176.184 176.300 0.118 0.000 0.983 287 R CA -0.839 55.311 56.100 0.084 0.000 0.887 287 R CB 2.171 32.527 30.300 0.094 0.000 1.184 287 R HN 0.711 nan 8.270 nan 0.000 0.445 288 I N -0.757 119.902 120.570 0.148 0.000 2.603 288 I HA 0.591 4.761 4.170 -0.000 0.000 0.300 288 I C -2.470 173.750 176.117 0.171 0.000 1.017 288 I CA -3.298 58.089 61.300 0.146 0.000 1.098 288 I CB 1.862 39.943 38.000 0.135 0.000 1.279 288 I HN 0.257 nan 8.210 nan 0.000 0.437 289 P HA 0.007 nan 4.420 nan 0.000 0.262 289 P C -0.805 176.575 177.300 0.134 0.000 1.182 289 P CA 0.021 63.198 63.100 0.127 0.000 0.761 289 P CB 0.384 32.139 31.700 0.093 0.000 0.795 290 R N 2.439 123.023 120.500 0.141 0.000 2.870 290 R HA 0.181 4.521 4.340 -0.000 0.000 0.254 290 R C 0.791 177.133 176.300 0.070 0.000 1.392 290 R CA 0.112 56.280 56.100 0.114 0.000 1.322 290 R CB -0.455 29.930 30.300 0.142 0.000 1.205 290 R HN 0.541 nan 8.270 nan 0.000 0.597 291 T N -1.724 112.863 114.554 0.055 0.000 3.003 291 T HA 0.075 4.425 4.350 -0.000 0.000 0.261 291 T C 1.240 175.954 174.700 0.025 0.000 1.003 291 T CA -0.188 61.937 62.100 0.042 0.000 0.917 291 T CB 0.144 69.037 68.868 0.042 0.000 1.084 291 T HN 0.290 nan 8.240 nan 0.000 0.522 292 N N 1.972 120.681 118.700 0.015 0.000 2.270 292 N HA -0.073 4.666 4.740 -0.000 0.000 0.181 292 N C 0.731 176.231 175.510 -0.016 0.000 1.016 292 N CA 1.365 54.412 53.050 -0.006 0.000 0.870 292 N CB 0.001 38.475 38.487 -0.021 0.000 0.979 292 N HN 0.504 nan 8.380 nan 0.000 0.431 293 D N 0.491 120.889 120.400 -0.002 0.000 2.348 293 D HA 0.037 4.677 4.640 -0.000 0.000 0.211 293 D C 1.945 178.260 176.300 0.024 0.000 0.998 293 D CA -0.004 53.998 54.000 0.004 0.000 0.873 293 D CB 0.205 41.040 40.800 0.058 0.000 0.925 293 D HN 0.266 nan 8.370 nan 0.000 0.524 294 L N 0.334 121.572 121.223 0.025 0.000 2.191 294 L HA -0.128 4.211 4.340 -0.000 0.000 0.212 294 L C 0.382 177.255 176.870 0.005 0.000 1.103 294 L CA 0.702 55.554 54.840 0.020 0.000 0.769 294 L CB -0.252 41.821 42.059 0.022 0.000 0.908 294 L HN -0.050 nan 8.230 nan 0.000 0.438 295 Q N -0.831 118.968 119.800 -0.002 0.000 2.481 295 Q HA -0.203 4.137 4.340 -0.000 0.000 0.283 295 Q C 0.982 176.978 176.000 -0.007 0.000 1.292 295 Q CA 0.511 56.309 55.803 -0.009 0.000 0.819 295 Q CB -2.160 26.570 28.738 -0.013 0.000 1.202 295 Q HN 0.498 nan 8.270 nan 0.000 0.446 296 L N -1.611 119.611 121.223 -0.003 0.000 2.261 296 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 296 L C 2.253 179.119 176.870 -0.007 0.000 1.114 296 L CA 1.579 56.417 54.840 -0.003 0.000 0.777 296 L CB -0.374 41.687 42.059 0.003 0.000 0.910 296 L HN 0.476 nan 8.230 nan 0.000 0.440 297 G N -0.089 108.706 108.800 -0.007 0.000 2.448 297 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 297 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 297 G C 1.361 176.254 174.900 -0.011 0.000 1.127 297 G CA 0.470 45.565 45.100 -0.009 0.000 0.766 297 G HN 0.341 nan 8.290 nan 0.000 0.552 298 N N 0.237 118.929 118.700 -0.013 0.000 2.192 298 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 298 N C 2.107 177.607 175.510 -0.017 0.000 1.013 298 N CA 1.811 54.852 53.050 -0.015 0.000 0.863 298 N CB -0.023 38.454 38.487 -0.017 0.000 0.990 298 N HN 0.483 nan 8.380 nan 0.000 0.430 299 V N -5.841 114.063 119.914 -0.017 0.000 3.398 299 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 299 V C 0.964 177.047 176.094 -0.019 0.000 1.496 299 V CA 0.248 62.535 62.300 -0.021 0.000 1.044 299 V CB 0.140 31.947 31.823 -0.027 0.000 0.880 299 V HN 0.126 nan 8.190 nan 0.000 0.443 300 G N 1.333 110.124 108.800 -0.014 0.000 2.246 300 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 300 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 300 G C 0.037 174.931 174.900 -0.011 0.000 1.055 300 G CA 0.215 45.309 45.100 -0.011 0.000 0.851 300 G HN 0.926 nan 8.290 nan 0.000 0.500 301 V N 0.345 120.252 119.914 -0.011 0.000 2.493 301 V HA 0.107 4.227 4.120 -0.000 0.000 0.292 301 V C 1.220 177.315 176.094 0.001 0.000 1.016 301 V CA 0.513 62.808 62.300 -0.008 0.000 1.097 301 V CB 0.745 32.563 31.823 -0.008 0.000 0.947 301 V HN 0.439 nan 8.190 nan 0.000 0.479 302 K N 5.447 125.849 120.400 0.004 0.000 2.322 302 K HA 0.402 4.722 4.320 -0.000 0.000 0.283 302 K C -0.367 176.241 176.600 0.013 0.000 1.042 302 K CA -0.212 56.080 56.287 0.008 0.000 0.958 302 K CB 0.609 33.114 32.500 0.009 0.000 0.984 302 K HN 0.531 nan 8.250 nan 0.000 0.473 303 L N 2.752 123.983 121.223 0.014 0.000 2.375 303 L HA 0.208 4.548 4.340 -0.000 0.000 0.271 303 L C 1.066 177.946 176.870 0.017 0.000 1.107 303 L CA -0.679 54.173 54.840 0.019 0.000 0.806 303 L CB 1.051 43.121 42.059 0.020 0.000 1.146 303 L HN 0.780 nan 8.230 nan 0.000 0.447 304 T N -1.095 113.470 114.554 0.018 0.000 2.766 304 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 304 T C -1.675 173.035 174.700 0.017 0.000 1.024 304 T CA -1.375 60.734 62.100 0.015 0.000 1.018 304 T CB 0.817 69.692 68.868 0.013 0.000 1.002 304 T HN 0.374 nan 8.240 nan 0.000 0.532 305 P HA -0.170 nan 4.420 nan 0.000 0.217 305 P C 1.075 178.388 177.300 0.021 0.000 1.158 305 P CA 1.514 64.624 63.100 0.016 0.000 0.887 305 P CB -0.064 31.645 31.700 0.014 0.000 0.792 306 K N -2.388 118.026 120.400 0.024 0.000 2.442 306 K HA 0.192 4.512 4.320 -0.000 0.000 0.198 306 K C 1.488 178.110 176.600 0.038 0.000 1.042 306 K CA 1.110 57.416 56.287 0.032 0.000 0.958 306 K CB -0.570 31.951 32.500 0.034 0.000 0.766 306 K HN 0.270 nan 8.250 nan 0.000 0.474 307 G N -0.444 108.376 108.800 0.034 0.000 2.192 307 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.193 307 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.193 307 G C 0.392 175.318 174.900 0.043 0.000 0.999 307 G CA -0.534 44.589 45.100 0.039 0.000 0.659 307 G HN 0.530 nan 8.290 nan 0.000 0.503 308 G N -0.452 108.373 108.800 0.041 0.000 2.572 308 G HA2 0.568 4.528 3.960 -0.000 0.000 0.261 308 G HA3 0.568 4.528 3.960 -0.000 0.000 0.261 308 G C 0.341 175.263 174.900 0.036 0.000 1.197 308 G CA 0.131 45.258 45.100 0.044 0.000 0.870 308 G HN 0.907 nan 8.290 nan 0.000 0.548 309 V N 1.241 121.179 119.914 0.041 0.000 2.470 309 V HA 0.079 4.199 4.120 -0.000 0.000 0.276 309 V C 0.801 176.915 176.094 0.033 0.000 1.040 309 V CA -0.124 62.198 62.300 0.036 0.000 1.008 309 V CB 0.924 32.773 31.823 0.044 0.000 0.990 309 V HN 0.813 nan 8.190 nan 0.000 0.477 310 Q N 3.480 123.296 119.800 0.027 0.000 2.330 310 Q HA 0.401 4.741 4.340 -0.000 0.000 0.279 310 Q C -0.537 175.483 176.000 0.034 0.000 1.024 310 Q CA -0.095 55.723 55.803 0.024 0.000 0.900 310 Q CB 1.119 29.869 28.738 0.020 0.000 1.221 310 Q HN 0.796 nan 8.270 nan 0.000 0.396 311 V N 0.302 120.235 119.914 0.032 0.000 3.078 311 V HA 0.543 4.663 4.120 -0.000 0.000 0.311 311 V C -0.801 175.322 176.094 0.048 0.000 1.138 311 V CA -1.171 61.161 62.300 0.053 0.000 1.007 311 V CB 1.888 33.748 31.823 0.063 0.000 1.045 311 V HN 0.913 nan 8.190 nan 0.000 0.432 312 D N 0.391 120.838 120.400 0.079 0.000 2.466 312 D HA 0.247 4.887 4.640 -0.000 0.000 0.262 312 D C 0.767 177.098 176.300 0.050 0.000 1.177 312 D CA -0.317 53.730 54.000 0.078 0.000 1.035 312 D CB 0.644 41.522 40.800 0.129 0.000 1.105 312 D HN 0.743 nan 8.370 nan 0.000 0.551 313 E N -0.944 119.255 120.200 -0.001 0.000 2.455 313 E HA -0.123 4.226 4.350 -0.000 0.000 0.202 313 E C 0.570 176.969 176.600 -0.335 0.000 1.045 313 E CA 0.705 57.010 56.400 -0.157 0.000 0.872 313 E CB -0.498 29.051 29.700 -0.252 0.000 0.792 313 E HN 0.387 nan 8.360 nan 0.000 0.542 314 F N 0.267 120.240 119.950 0.038 0.000 2.641 314 F HA 0.204 4.730 4.527 -0.000 0.000 0.302 314 F C 0.564 176.374 175.800 0.016 0.000 1.098 314 F CA -0.172 57.834 58.000 0.011 0.000 1.318 314 F CB 0.544 39.538 39.000 -0.010 0.000 1.035 314 F HN -0.224 nan 8.300 nan 0.000 0.551 315 S N -0.083 115.702 115.700 0.142 0.000 3.482 315 S HA -0.223 4.247 4.470 -0.000 0.000 0.294 315 S C 0.376 175.124 174.600 0.247 0.000 1.244 315 S CA 0.210 58.500 58.200 0.149 0.000 0.911 315 S CB -1.456 61.809 63.200 0.109 0.000 1.070 315 S HN 0.442 nan 8.310 nan 0.000 0.614 316 R N 2.284 122.939 120.500 0.257 0.000 2.254 316 R HA 0.414 4.754 4.340 -0.000 0.000 0.318 316 R C 1.166 177.553 176.300 0.144 0.000 1.031 316 R CA 0.234 56.507 56.100 0.289 0.000 0.905 316 R CB 0.791 31.252 30.300 0.268 0.000 1.050 316 R HN 0.502 nan 8.270 nan 0.000 0.456 317 T N -0.656 113.946 114.554 0.080 0.000 2.652 317 T HA -0.053 4.297 4.350 -0.000 0.000 0.319 317 T C 1.400 176.109 174.700 0.015 0.000 1.029 317 T CA -0.369 61.749 62.100 0.030 0.000 0.990 317 T CB 0.429 69.294 68.868 -0.006 0.000 1.098 317 T HN 0.683 nan 8.240 nan 0.000 0.520 318 N N -0.473 118.230 118.700 0.005 0.000 2.459 318 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 318 N C 0.201 175.701 175.510 -0.017 0.000 1.046 318 N CA 0.246 53.297 53.050 0.001 0.000 0.904 318 N CB -0.583 37.905 38.487 0.002 0.000 0.964 318 N HN 0.397 nan 8.380 nan 0.000 0.444 319 V N 3.710 123.601 119.914 -0.040 0.000 2.383 319 V HA 0.264 4.384 4.120 -0.000 0.000 0.275 319 V C -2.064 173.973 176.094 -0.095 0.000 1.036 319 V CA -1.805 60.459 62.300 -0.059 0.000 0.889 319 V CB 1.282 33.065 31.823 -0.066 0.000 0.985 319 V HN 0.087 nan 8.190 nan 0.000 0.459 320 P HA -0.078 nan 4.420 nan 0.000 0.261 320 P C 0.350 177.545 177.300 -0.176 0.000 1.165 320 P CA 0.732 63.779 63.100 -0.089 0.000 0.759 320 P CB 0.040 31.710 31.700 -0.049 0.000 0.772 321 N N -0.130 118.411 118.700 -0.265 0.000 2.850 321 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 321 N C -0.432 174.682 175.510 -0.659 0.000 1.060 321 N CA 0.134 52.961 53.050 -0.372 0.000 0.825 321 N CB -1.030 37.328 38.487 -0.216 0.000 1.132 321 N HN 0.474 nan 8.380 nan 0.000 0.564 322 I N 1.338 121.450 120.570 -0.763 0.000 2.410 322 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 322 I C -0.689 175.088 176.117 -0.568 0.000 1.009 322 I CA -0.634 60.355 61.300 -0.519 0.000 1.111 322 I CB 0.843 38.711 38.000 -0.220 0.000 1.262 322 I HN -0.067 nan 8.210 nan 0.000 0.443 323 Y N 4.268 124.600 120.300 0.055 0.000 2.562 323 Y HA 0.829 5.379 4.550 -0.000 0.000 0.343 323 Y C 0.097 176.026 175.900 0.049 0.000 1.025 323 Y CA -1.201 56.927 58.100 0.048 0.000 1.082 323 Y CB 1.867 40.349 38.460 0.036 0.000 1.264 323 Y HN 0.535 nan 8.280 nan 0.000 0.478 324 A N 2.564 125.507 122.820 0.204 0.000 2.398 324 A HA 0.864 5.184 4.320 -0.000 0.000 0.301 324 A C -1.091 176.568 177.584 0.125 0.000 1.041 324 A CA -0.646 51.473 52.037 0.136 0.000 0.711 324 A CB 0.876 19.932 19.000 0.094 0.000 1.240 324 A HN 0.802 nan 8.150 nan 0.000 0.420 325 I N -0.738 119.900 120.570 0.114 0.000 3.145 325 I HA 0.962 5.132 4.170 -0.000 0.000 0.313 325 I C 0.450 176.629 176.117 0.103 0.000 1.122 325 I CA -0.337 61.026 61.300 0.105 0.000 0.987 325 I CB 2.051 40.110 38.000 0.098 0.000 1.236 325 I HN 1.858 nan 8.210 nan 0.000 0.453 326 G N 2.832 111.696 108.800 0.107 0.000 2.584 326 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.229 326 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.229 326 G C -0.089 174.875 174.900 0.107 0.000 1.320 326 G CA 0.426 45.592 45.100 0.109 0.000 0.891 326 G HN 0.812 nan 8.290 nan 0.000 0.573 327 D N -0.298 120.172 120.400 0.116 0.000 2.265 327 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 327 D C 2.267 178.632 176.300 0.108 0.000 0.977 327 D CA 1.088 55.159 54.000 0.119 0.000 0.871 327 D CB -0.049 40.837 40.800 0.143 0.000 0.925 327 D HN 0.475 nan 8.370 nan 0.000 0.485 328 I N 0.835 121.467 120.570 0.104 0.000 2.614 328 I HA -0.198 3.971 4.170 -0.000 0.000 0.258 328 I C 1.615 177.777 176.117 0.075 0.000 1.189 328 I CA 1.216 62.572 61.300 0.093 0.000 1.462 328 I CB 0.028 38.081 38.000 0.089 0.000 1.092 328 I HN 0.028 nan 8.210 nan 0.000 0.442 329 T N -3.426 111.169 114.554 0.068 0.000 3.107 329 T HA 0.020 4.370 4.350 -0.000 0.000 0.249 329 T C 0.889 175.608 174.700 0.032 0.000 1.096 329 T CA 0.387 62.514 62.100 0.045 0.000 1.012 329 T CB -0.192 68.697 68.868 0.035 0.000 0.977 329 T HN 0.390 nan 8.240 nan 0.000 0.527 330 D N 0.532 120.962 120.400 0.050 0.000 2.772 330 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 330 D C 0.508 176.822 176.300 0.023 0.000 1.143 330 D CA 0.638 54.667 54.000 0.048 0.000 0.700 330 D CB -1.003 39.825 40.800 0.046 0.000 1.076 330 D HN 0.654 nan 8.370 nan 0.000 0.430 331 R N -0.808 119.697 120.500 0.010 0.000 1.996 331 R HA 0.480 4.820 4.340 -0.000 0.000 0.120 331 R C 0.282 176.592 176.300 0.016 0.000 1.829 331 R CA -0.629 55.455 56.100 -0.027 0.000 1.637 331 R CB 0.090 30.313 30.300 -0.128 0.000 1.313 331 R HN 0.086 nan 8.270 nan 0.000 0.487 332 L N 3.461 124.704 121.223 0.034 0.000 2.433 332 L HA 0.164 4.504 4.340 -0.000 0.000 0.275 332 L C -0.046 176.877 176.870 0.088 0.000 1.128 332 L CA 0.490 55.372 54.840 0.071 0.000 0.875 332 L CB 0.810 42.939 42.059 0.117 0.000 1.171 332 L HN 0.565 nan 8.230 nan 0.000 0.463 333 M N 6.640 126.296 119.600 0.093 0.000 3.512 333 M HA 0.347 4.827 4.480 -0.000 0.000 0.231 333 M C -0.752 175.612 176.300 0.106 0.000 1.345 333 M CA 0.120 55.493 55.300 0.121 0.000 1.504 333 M CB -0.076 32.621 32.600 0.162 0.000 1.074 333 M HN 0.439 nan 8.290 nan 0.000 0.615 334 L N -0.569 120.702 121.223 0.079 0.000 2.354 334 L HA 0.449 4.788 4.340 -0.000 0.000 0.269 334 L C 1.286 178.198 176.870 0.071 0.000 1.005 334 L CA -0.522 54.352 54.840 0.056 0.000 0.819 334 L CB 2.092 44.162 42.059 0.018 0.000 1.311 334 L HN 0.242 nan 8.230 nan 0.000 0.423 335 T N 1.276 115.872 114.554 0.071 0.000 2.708 335 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 335 T C -1.038 173.693 174.700 0.051 0.000 1.037 335 T CA 1.762 63.904 62.100 0.071 0.000 1.146 335 T CB -0.450 68.462 68.868 0.072 0.000 0.865 335 T HN 0.466 nan 8.240 nan 0.000 0.435 336 P HA 0.045 nan 4.420 nan 0.000 0.223 336 P C 1.456 178.764 177.300 0.013 0.000 1.151 336 P CA 0.428 63.540 63.100 0.021 0.000 0.787 336 P CB -0.068 31.640 31.700 0.013 0.000 0.788 337 V N 0.125 120.052 119.914 0.022 0.000 2.379 337 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 337 V C 2.417 178.536 176.094 0.042 0.000 1.044 337 V CA 2.169 64.479 62.300 0.017 0.000 1.036 337 V CB -1.575 30.279 31.823 0.052 0.000 0.664 337 V HN 0.093 nan 8.190 nan 0.000 0.453 338 A N -0.024 122.835 122.820 0.065 0.000 1.902 338 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 338 A C 2.174 179.793 177.584 0.059 0.000 1.181 338 A CA 1.815 53.897 52.037 0.076 0.000 0.623 338 A CB -0.522 18.531 19.000 0.089 0.000 0.818 338 A HN 0.494 nan 8.150 nan 0.000 0.443 339 I N -0.081 120.516 120.570 0.045 0.000 2.127 339 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 339 I C 2.570 178.702 176.117 0.025 0.000 1.075 339 I CA 1.653 62.973 61.300 0.034 0.000 1.334 339 I CB -0.495 37.517 38.000 0.019 0.000 1.040 339 I HN 0.479 nan 8.210 nan 0.000 0.405 340 N N 0.920 119.624 118.700 0.008 0.000 2.104 340 N HA -0.222 4.517 4.740 -0.000 0.000 0.190 340 N C 1.742 177.246 175.510 -0.010 0.000 1.024 340 N CA 1.590 54.634 53.050 -0.011 0.000 0.853 340 N CB 0.029 38.488 38.487 -0.046 0.000 1.008 340 N HN 0.442 nan 8.380 nan 0.000 0.424 341 E N -0.258 119.944 120.200 0.002 0.000 2.058 341 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 341 E C 2.032 178.646 176.600 0.024 0.000 0.997 341 E CA 1.137 57.549 56.400 0.020 0.000 0.801 341 E CB -0.378 29.360 29.700 0.064 0.000 0.746 341 E HN 0.449 nan 8.360 nan 0.000 0.450 342 G N 1.373 110.197 108.800 0.041 0.000 2.459 342 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 342 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 342 G C 1.732 176.658 174.900 0.044 0.000 1.183 342 G CA 1.135 46.265 45.100 0.050 0.000 0.776 342 G HN 0.364 nan 8.290 nan 0.000 0.552 343 A N 1.067 123.917 122.820 0.050 0.000 1.902 343 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 343 A C 2.811 180.422 177.584 0.045 0.000 1.181 343 A CA 2.426 54.503 52.037 0.066 0.000 0.623 343 A CB -0.793 18.244 19.000 0.062 0.000 0.818 343 A HN 0.853 nan 8.150 nan 0.000 0.443 344 A N -0.683 122.147 122.820 0.016 0.000 1.930 344 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 344 A C 2.104 179.674 177.584 -0.022 0.000 1.175 344 A CA 1.584 53.625 52.037 0.008 0.000 0.627 344 A CB -0.554 18.442 19.000 -0.007 0.000 0.815 344 A HN 0.708 nan 8.150 nan 0.000 0.443 345 L N -0.027 121.160 121.223 -0.060 0.000 2.017 345 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 345 L C 2.331 179.022 176.870 -0.298 0.000 1.073 345 L CA 2.004 56.737 54.840 -0.177 0.000 0.745 345 L CB -0.660 41.289 42.059 -0.183 0.000 0.894 345 L HN 0.132 nan 8.230 nan 0.000 0.432 346 V N 0.043 119.848 119.914 -0.181 0.000 2.343 346 V HA -0.271 3.848 4.120 -0.000 0.000 0.247 346 V C 2.278 178.213 176.094 -0.264 0.000 1.051 346 V CA 1.957 64.149 62.300 -0.180 0.000 1.036 346 V CB -0.814 31.062 31.823 0.089 0.000 0.654 346 V HN 0.462 nan 8.190 nan 0.000 0.451 347 D N -0.220 120.122 120.400 -0.097 0.000 2.178 347 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 347 D C 2.248 178.434 176.300 -0.190 0.000 0.980 347 D CA 1.775 55.724 54.000 -0.086 0.000 0.842 347 D CB -0.262 40.583 40.800 0.076 0.000 0.948 347 D HN 0.416 nan 8.370 nan 0.000 0.472 348 T N -0.108 114.325 114.554 -0.202 0.000 2.851 348 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 348 T C 2.184 176.670 174.700 -0.356 0.000 1.043 348 T CA 0.467 62.438 62.100 -0.215 0.000 1.140 348 T CB 0.021 68.812 68.868 -0.128 0.000 0.872 348 T HN -0.018 nan 8.240 nan 0.000 0.446 349 V N 0.183 119.746 119.914 -0.585 0.000 2.599 349 V HA 0.088 4.208 4.120 -0.000 0.000 0.245 349 V C 1.515 177.191 176.094 -0.697 0.000 1.046 349 V CA 1.248 63.059 62.300 -0.814 0.000 1.065 349 V CB -0.368 30.593 31.823 -1.438 0.000 0.703 349 V HN 0.391 nan 8.190 nan 0.000 0.464 350 F N 0.026 119.695 119.950 -0.468 0.000 2.706 350 F HA 0.538 5.064 4.527 -0.000 0.000 0.308 350 F C 1.189 176.602 175.800 -0.644 0.000 1.095 350 F CA -0.352 57.332 58.000 -0.527 0.000 1.244 350 F CB -0.353 38.292 39.000 -0.590 0.000 1.063 350 F HN 0.116 nan 8.300 nan 0.000 0.582 351 G N -0.002 108.522 108.800 -0.461 0.000 2.537 351 G HA2 0.275 4.234 3.960 -0.000 0.000 0.323 351 G HA3 0.275 4.234 3.960 -0.000 0.000 0.323 351 G C 0.394 175.267 174.900 -0.046 0.000 1.207 351 G CA -0.600 44.378 45.100 -0.203 0.000 0.976 351 G HN 0.237 nan 8.290 nan 0.000 0.487 352 N N -0.997 117.732 118.700 0.049 0.000 2.443 352 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 352 N C 0.597 176.109 175.510 0.003 0.000 1.037 352 N CA 0.919 53.986 53.050 0.028 0.000 0.896 352 N CB 0.208 38.725 38.487 0.050 0.000 0.959 352 N HN 0.298 nan 8.380 nan 0.000 0.442 353 K N 0.413 120.817 120.400 0.006 0.000 2.463 353 K HA 0.400 4.720 4.320 -0.000 0.000 0.255 353 K C -2.850 173.749 176.600 -0.000 0.000 0.942 353 K CA -2.547 53.744 56.287 0.008 0.000 0.814 353 K CB 1.977 34.500 32.500 0.039 0.000 1.122 353 K HN -0.131 nan 8.250 nan 0.000 0.425 354 P HA 0.083 nan 4.420 nan 0.000 0.267 354 P C -1.232 176.194 177.300 0.211 0.000 1.205 354 P CA -0.125 62.985 63.100 0.017 0.000 0.765 354 P CB 0.631 32.233 31.700 -0.165 0.000 0.828 355 R N 3.035 123.701 120.500 0.276 0.000 2.532 355 R HA 0.308 4.647 4.340 -0.000 0.000 0.297 355 R C -0.494 175.880 176.300 0.123 0.000 0.984 355 R CA -0.812 55.399 56.100 0.185 0.000 0.884 355 R CB 1.611 31.960 30.300 0.082 0.000 1.182 355 R HN 0.485 nan 8.270 nan 0.000 0.442 356 K N 1.610 121.960 120.400 -0.082 0.000 2.221 356 K HA 0.360 4.680 4.320 -0.000 0.000 0.258 356 K C -0.607 175.884 176.600 -0.180 0.000 0.944 356 K CA -0.749 55.354 56.287 -0.305 0.000 0.823 356 K CB 1.925 34.005 32.500 -0.700 0.000 1.113 356 K HN 0.214 nan 8.250 nan 0.000 0.431 357 T N 2.445 116.896 114.554 -0.171 0.000 2.871 357 T HA -0.076 4.274 4.350 -0.000 0.000 0.296 357 T C -0.292 174.228 174.700 -0.299 0.000 0.998 357 T CA 0.319 62.275 62.100 -0.240 0.000 1.162 357 T CB 0.180 68.856 68.868 -0.320 0.000 0.947 357 T HN 0.564 nan 8.240 nan 0.000 0.536 358 D N 1.568 121.820 120.400 -0.246 0.000 2.336 358 D HA 0.020 4.660 4.640 -0.000 0.000 0.249 358 D C 0.918 177.057 176.300 -0.269 0.000 1.213 358 D CA -0.219 53.672 54.000 -0.181 0.000 0.870 358 D CB 0.398 41.144 40.800 -0.090 0.000 1.076 358 D HN 0.554 nan 8.370 nan 0.000 0.483 359 H N 2.151 121.202 119.070 -0.031 0.000 2.539 359 H HA 0.075 4.631 4.556 -0.000 0.000 0.269 359 H C 0.536 175.854 175.328 -0.017 0.000 0.980 359 H CA 0.312 56.346 56.048 -0.023 0.000 1.152 359 H CB 0.197 29.944 29.762 -0.024 0.000 1.407 359 H HN 0.407 nan 8.280 nan 0.000 0.564 360 T N -1.591 112.991 114.554 0.048 0.000 2.922 360 T HA 0.316 4.665 4.350 -0.000 0.000 0.285 360 T C 0.619 175.327 174.700 0.013 0.000 1.005 360 T CA -0.824 61.297 62.100 0.036 0.000 1.061 360 T CB 1.747 70.638 68.868 0.038 0.000 1.007 360 T HN 0.299 nan 8.240 nan 0.000 0.502 361 R N -0.616 119.894 120.500 0.016 0.000 3.525 361 R HA -0.099 4.241 4.340 -0.000 0.000 0.276 361 R C -0.557 175.741 176.300 -0.005 0.000 1.116 361 R CA 0.334 56.438 56.100 0.006 0.000 0.745 361 R CB -2.533 27.773 30.300 0.011 0.000 1.185 361 R HN 0.560 nan 8.270 nan 0.000 0.454 362 V N 1.288 121.198 119.914 -0.007 0.000 2.427 362 V HA 0.387 4.507 4.120 -0.000 0.000 0.268 362 V C 1.207 177.293 176.094 -0.012 0.000 1.046 362 V CA 0.062 62.354 62.300 -0.013 0.000 0.970 362 V CB 1.245 33.060 31.823 -0.012 0.000 1.001 362 V HN 0.409 nan 8.190 nan 0.000 0.476 363 A N 5.281 128.096 122.820 -0.009 0.000 2.511 363 A HA 0.595 4.914 4.320 -0.000 0.000 0.242 363 A C 0.603 178.184 177.584 -0.004 0.000 1.069 363 A CA 0.449 52.482 52.037 -0.005 0.000 0.763 363 A CB 0.172 19.174 19.000 0.002 0.000 1.001 363 A HN 1.194 nan 8.150 nan 0.000 0.498 364 S N 0.396 116.096 115.700 -0.001 0.000 2.671 364 S HA 0.890 5.359 4.470 -0.000 0.000 0.277 364 S C -0.566 174.030 174.600 -0.007 0.000 1.165 364 S CA -0.167 58.030 58.200 -0.005 0.000 0.822 364 S CB 1.520 64.703 63.200 -0.028 0.000 1.150 364 S HN 2.235 nan 8.310 nan 0.000 0.479 365 A N 0.274 123.062 122.820 -0.053 0.000 2.469 365 A HA 0.852 5.172 4.320 -0.000 0.000 0.299 365 A C -1.339 176.114 177.584 -0.218 0.000 1.098 365 A CA -0.845 51.074 52.037 -0.197 0.000 0.737 365 A CB 1.743 20.498 19.000 -0.409 0.000 1.312 365 A HN 1.218 nan 8.150 nan 0.000 0.414 366 V N 1.041 120.754 119.914 -0.336 0.000 2.444 366 V HA 0.332 4.452 4.120 -0.000 0.000 0.294 366 V C -0.885 174.982 176.094 -0.379 0.000 1.022 366 V CA -0.094 62.060 62.300 -0.242 0.000 0.850 366 V CB 1.170 32.789 31.823 -0.339 0.000 0.992 366 V HN 0.772 nan 8.190 nan 0.000 0.426 367 F N 3.209 123.147 119.950 -0.021 0.000 2.859 367 F HA 0.164 4.691 4.527 -0.000 0.000 0.315 367 F C 1.571 177.328 175.800 -0.073 0.000 1.207 367 F CA -0.164 57.809 58.000 -0.046 0.000 1.370 367 F CB -0.181 38.796 39.000 -0.039 0.000 1.314 367 F HN 0.579 nan 8.300 nan 0.000 0.555 368 S N -0.284 115.382 115.700 -0.057 0.000 2.608 368 S HA 0.501 4.971 4.470 -0.000 0.000 0.261 368 S C -0.225 174.343 174.600 -0.054 0.000 1.314 368 S CA -0.628 57.532 58.200 -0.067 0.000 0.992 368 S CB 1.345 64.471 63.200 -0.125 0.000 0.935 368 S HN 0.241 nan 8.310 nan 0.000 0.564 369 I N 2.065 122.606 120.570 -0.049 0.000 2.382 369 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 369 I C -2.376 173.718 176.117 -0.038 0.000 1.007 369 I CA -2.289 58.986 61.300 -0.042 0.000 1.142 369 I CB 1.770 39.749 38.000 -0.036 0.000 1.289 369 I HN 0.502 nan 8.210 nan 0.000 0.453 370 P HA 0.284 nan 4.420 nan 0.000 0.274 370 P C -2.597 174.634 177.300 -0.116 0.000 1.246 370 P CA -1.178 61.879 63.100 -0.072 0.000 0.795 370 P CB 0.008 31.663 31.700 -0.076 0.000 1.006 371 P HA 0.375 nan 4.420 nan 0.000 0.283 371 P C -0.731 176.409 177.300 -0.267 0.000 1.278 371 P CA -0.298 62.663 63.100 -0.232 0.000 0.834 371 P CB 1.045 32.562 31.700 -0.305 0.000 1.150 372 I N -0.230 120.148 120.570 -0.319 0.000 2.493 372 I HA 0.580 4.749 4.170 -0.000 0.000 0.298 372 I C 0.730 176.710 176.117 -0.228 0.000 0.998 372 I CA -0.481 60.663 61.300 -0.261 0.000 1.137 372 I CB 1.902 39.735 38.000 -0.278 0.000 1.310 372 I HN 0.355 nan 8.210 nan 0.000 0.445 373 G N 2.335 111.057 108.800 -0.130 0.000 2.566 373 G HA2 0.626 4.586 3.960 -0.000 0.000 0.311 373 G HA3 0.626 4.586 3.960 -0.000 0.000 0.311 373 G C -1.165 173.741 174.900 0.010 0.000 1.322 373 G CA -0.351 44.709 45.100 -0.066 0.000 0.969 373 G HN 0.496 nan 8.290 nan 0.000 0.490 374 T N -0.863 113.718 114.554 0.045 0.000 2.894 374 T HA 0.563 4.913 4.350 -0.000 0.000 0.309 374 T C -1.544 173.155 174.700 -0.002 0.000 1.208 374 T CA -0.506 61.636 62.100 0.069 0.000 1.016 374 T CB 1.577 70.614 68.868 0.282 0.000 1.192 374 T HN 1.189 nan 8.240 nan 0.000 0.491 375 C N 3.193 122.443 119.300 -0.083 0.000 2.716 375 C HA 0.851 5.311 4.460 -0.000 0.000 0.366 375 C C 0.608 175.546 174.990 -0.088 0.000 1.073 375 C CA 1.132 60.113 59.018 -0.062 0.000 1.260 375 C CB -0.070 27.640 27.740 -0.048 0.000 1.755 375 C HN 1.778 nan 8.230 nan 0.000 0.475 376 G N 4.537 113.327 108.800 -0.016 0.000 2.548 376 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.208 376 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.208 376 G C -1.051 173.901 174.900 0.086 0.000 1.308 376 G CA -0.359 44.747 45.100 0.011 0.000 0.924 376 G HN 1.127 nan 8.290 nan 0.000 0.540 377 L N 1.265 122.548 121.223 0.101 0.000 2.349 377 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 377 L C 1.519 178.514 176.870 0.208 0.000 1.115 377 L CA -0.637 54.276 54.840 0.122 0.000 0.820 377 L CB 0.838 42.963 42.059 0.110 0.000 1.135 377 L HN 0.698 nan 8.230 nan 0.000 0.445 378 I N -0.473 120.129 120.570 0.054 0.000 2.823 378 I HA 0.096 4.266 4.170 -0.000 0.000 0.290 378 I C 1.394 177.488 176.117 -0.037 0.000 1.091 378 I CA -0.533 60.710 61.300 -0.095 0.000 1.365 378 I CB 0.745 38.604 38.000 -0.234 0.000 1.427 378 I HN 0.828 nan 8.210 nan 0.000 0.583 379 E N 3.132 123.304 120.200 -0.047 0.000 2.085 379 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 379 E C 1.354 177.770 176.600 -0.307 0.000 0.994 379 E CA 1.567 57.914 56.400 -0.087 0.000 0.801 379 E CB -0.431 29.307 29.700 0.064 0.000 0.743 379 E HN 0.851 nan 8.360 nan 0.000 0.453 380 E N 1.573 121.615 120.200 -0.263 0.000 2.153 380 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 380 E C 2.271 178.773 176.600 -0.164 0.000 0.988 380 E CA 1.272 57.509 56.400 -0.271 0.000 0.811 380 E CB -0.429 29.186 29.700 -0.141 0.000 0.746 380 E HN 0.305 nan 8.360 nan 0.000 0.466 381 V N 1.770 121.627 119.914 -0.094 0.000 2.446 381 V HA -0.068 4.052 4.120 -0.000 0.000 0.244 381 V C 2.661 178.762 176.094 0.011 0.000 1.039 381 V CA 1.414 63.691 62.300 -0.038 0.000 1.045 381 V CB -0.601 31.211 31.823 -0.019 0.000 0.681 381 V HN 0.397 nan 8.190 nan 0.000 0.459 382 A N 0.302 123.150 122.820 0.047 0.000 1.940 382 A HA -0.136 4.183 4.320 -0.000 0.000 0.219 382 A C 2.320 180.020 177.584 0.193 0.000 1.176 382 A CA 2.093 54.249 52.037 0.198 0.000 0.631 382 A CB -0.661 18.423 19.000 0.140 0.000 0.814 382 A HN 0.571 nan 8.150 nan 0.000 0.446 383 A N -0.548 122.261 122.820 -0.019 0.000 2.119 383 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 383 A C 1.956 179.550 177.584 0.016 0.000 1.153 383 A CA 1.345 53.369 52.037 -0.021 0.000 0.692 383 A CB -0.263 18.552 19.000 -0.309 0.000 0.799 383 A HN 0.566 nan 8.150 nan 0.000 0.458 384 K N 0.067 120.458 120.400 -0.015 0.000 2.365 384 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 384 K C 1.018 177.587 176.600 -0.051 0.000 1.042 384 K CA 1.113 57.387 56.287 -0.022 0.000 0.987 384 K CB 0.130 32.610 32.500 -0.032 0.000 0.779 384 K HN 0.726 nan 8.250 nan 0.000 0.484 385 E N 0.007 120.160 120.200 -0.077 0.000 2.498 385 E HA 0.105 4.455 4.350 -0.000 0.000 0.203 385 E C -0.343 175.922 176.600 -0.558 0.000 1.013 385 E CA -0.005 56.218 56.400 -0.295 0.000 0.927 385 E CB 0.313 29.790 29.700 -0.372 0.000 1.012 385 E HN 0.057 nan 8.360 nan 0.000 0.482 386 F N 1.001 120.969 119.950 0.031 0.000 2.569 386 F HA 0.255 4.781 4.527 -0.000 0.000 0.312 386 F C 1.331 177.172 175.800 0.068 0.000 1.109 386 F CA -1.021 57.010 58.000 0.051 0.000 0.919 386 F CB 2.179 41.219 39.000 0.066 0.000 1.211 386 F HN -0.237 nan 8.300 nan 0.000 0.446 387 E N 1.568 121.910 120.200 0.237 0.000 2.110 387 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 387 E C -0.176 176.544 176.600 0.200 0.000 0.988 387 E CA 1.196 57.699 56.400 0.172 0.000 0.804 387 E CB 0.312 30.089 29.700 0.128 0.000 0.745 387 E HN 0.474 nan 8.360 nan 0.000 0.458 388 K N 0.608 121.153 120.400 0.242 0.000 2.604 388 K HA 0.352 4.671 4.320 -0.000 0.000 0.247 388 K C -1.541 175.224 176.600 0.275 0.000 0.956 388 K CA -0.408 56.023 56.287 0.240 0.000 0.896 388 K CB 2.532 35.166 32.500 0.223 0.000 1.131 388 K HN -0.159 nan 8.250 nan 0.000 0.440 389 V N 2.202 122.289 119.914 0.288 0.000 2.487 389 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 389 V C -0.393 175.819 176.094 0.198 0.000 1.028 389 V CA -0.845 61.602 62.300 0.244 0.000 0.860 389 V CB 1.614 33.602 31.823 0.275 0.000 0.991 389 V HN 0.850 nan 8.190 nan 0.000 0.427 390 A N 4.645 127.512 122.820 0.078 0.000 2.324 390 A HA 0.890 5.210 4.320 -0.000 0.000 0.330 390 A C -0.780 176.617 177.584 -0.312 0.000 1.165 390 A CA -0.552 51.312 52.037 -0.289 0.000 0.813 390 A CB 1.548 20.349 19.000 -0.331 0.000 1.197 390 A HN 0.673 nan 8.150 nan 0.000 0.484 391 V N 2.356 121.869 119.914 -0.668 0.000 2.448 391 V HA 0.361 4.480 4.120 -0.000 0.000 0.295 391 V C -1.328 174.356 176.094 -0.683 0.000 1.025 391 V CA -0.309 61.655 62.300 -0.560 0.000 0.859 391 V CB 0.927 32.258 31.823 -0.819 0.000 0.988 391 V HN 0.776 nan 8.190 nan 0.000 0.431 392 Y N 4.974 125.114 120.300 -0.267 0.000 2.331 392 Y HA 0.738 5.288 4.550 -0.000 0.000 0.338 392 Y C 0.159 175.999 175.900 -0.101 0.000 0.992 392 Y CA -0.557 57.438 58.100 -0.174 0.000 1.121 392 Y CB 1.896 40.291 38.460 -0.109 0.000 1.184 392 Y HN 0.649 nan 8.280 nan 0.000 0.469 393 M N 3.258 122.897 119.600 0.066 0.000 2.386 393 M HA 0.614 5.094 4.480 -0.000 0.000 0.293 393 M C -1.551 174.829 176.300 0.134 0.000 1.120 393 M CA -0.341 55.013 55.300 0.090 0.000 0.909 393 M CB 1.880 34.526 32.600 0.077 0.000 1.661 393 M HN 0.529 nan 8.290 nan 0.000 0.452 394 S N 2.746 118.547 115.700 0.167 0.000 2.532 394 S HA 0.789 5.259 4.470 -0.000 0.000 0.299 394 S C -1.574 173.153 174.600 0.211 0.000 1.105 394 S CA -0.411 57.934 58.200 0.241 0.000 1.018 394 S CB 1.853 65.245 63.200 0.319 0.000 1.021 394 S HN 0.787 nan 8.310 nan 0.000 0.483 395 S N 3.928 119.769 115.700 0.235 0.000 2.720 395 S HA 0.806 5.276 4.470 -0.000 0.000 0.278 395 S C -1.529 173.174 174.600 0.171 0.000 1.172 395 S CA -0.666 57.583 58.200 0.081 0.000 1.019 395 S CB 0.157 63.391 63.200 0.057 0.000 1.049 395 S HN 0.914 nan 8.310 nan 0.000 0.483 396 F N -0.040 119.988 119.950 0.130 0.000 2.725 396 F HA 0.509 5.035 4.527 -0.000 0.000 0.309 396 F C -0.605 175.272 175.800 0.128 0.000 1.132 396 F CA -0.951 57.114 58.000 0.109 0.000 0.957 396 F CB 0.627 39.684 39.000 0.095 0.000 1.286 396 F HN 0.208 nan 8.300 nan 0.000 0.440 397 T N 4.123 118.813 114.554 0.227 0.000 2.752 397 T HA 0.357 4.707 4.350 -0.000 0.000 0.295 397 T C -2.444 172.498 174.700 0.403 0.000 0.923 397 T CA -0.686 61.532 62.100 0.195 0.000 1.112 397 T CB 0.289 69.242 68.868 0.142 0.000 0.884 397 T HN 0.343 nan 8.240 nan 0.000 0.525 398 P HA 0.079 nan 4.420 nan 0.000 0.269 398 P C 1.022 178.464 177.300 0.237 0.000 1.215 398 P CA -0.631 62.720 63.100 0.418 0.000 0.780 398 P CB 0.530 32.405 31.700 0.291 0.000 0.898 399 L N 3.365 124.687 121.223 0.165 0.000 2.012 399 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 399 L C 2.305 179.229 176.870 0.090 0.000 1.073 399 L CA 2.116 57.016 54.840 0.101 0.000 0.748 399 L CB -1.423 40.673 42.059 0.061 0.000 0.891 399 L HN 0.487 nan 8.230 nan 0.000 0.431 400 M N -1.592 118.057 119.600 0.082 0.000 2.143 400 M HA -0.261 4.219 4.480 -0.000 0.000 0.258 400 M C 1.785 178.109 176.300 0.041 0.000 1.071 400 M CA 2.113 57.482 55.300 0.115 0.000 1.088 400 M CB -0.775 31.813 32.600 -0.020 0.000 1.360 400 M HN 0.291 nan 8.290 nan 0.000 0.404 401 H N 0.474 119.626 119.070 0.137 0.000 2.551 401 H HA 0.142 4.697 4.556 -0.000 0.000 0.266 401 H C 1.339 176.682 175.328 0.025 0.000 0.977 401 H CA 0.690 56.779 56.048 0.068 0.000 1.163 401 H CB -0.324 29.435 29.762 -0.005 0.000 1.381 401 H HN 0.584 nan 8.280 nan 0.000 0.581 402 N N 0.665 119.441 118.700 0.127 0.000 2.244 402 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 402 N C 1.981 177.489 175.510 -0.004 0.000 1.016 402 N CA 0.548 53.635 53.050 0.060 0.000 0.866 402 N CB 0.161 38.680 38.487 0.054 0.000 0.980 402 N HN 0.386 nan 8.380 nan 0.000 0.430 403 I N 0.705 121.237 120.570 -0.064 0.000 2.333 403 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 403 I C 2.349 178.315 176.117 -0.251 0.000 1.106 403 I CA 0.739 61.883 61.300 -0.260 0.000 1.411 403 I CB -0.300 37.371 38.000 -0.549 0.000 1.082 403 I HN 0.103 nan 8.210 nan 0.000 0.420 404 S N 0.676 116.357 115.700 -0.031 0.000 2.419 404 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 404 S C 1.877 176.553 174.600 0.128 0.000 1.016 404 S CA 1.153 59.468 58.200 0.191 0.000 0.974 404 S CB -0.319 63.146 63.200 0.442 0.000 0.786 404 S HN 0.653 nan 8.310 nan 0.000 0.492 405 G N 0.082 108.933 108.800 0.085 0.000 2.213 405 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 405 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 405 G C 0.407 175.342 174.900 0.058 0.000 0.991 405 G CA 0.141 45.281 45.100 0.066 0.000 0.629 405 G HN 0.715 nan 8.290 nan 0.000 0.517 406 S N 2.080 117.789 115.700 0.014 0.000 4.175 406 S HA 0.241 4.711 4.470 -0.000 0.000 0.193 406 S C 1.776 176.138 174.600 -0.396 0.000 1.373 406 S CA 0.087 58.096 58.200 -0.320 0.000 0.908 406 S CB 0.404 63.248 63.200 -0.594 0.000 1.547 406 S HN 0.424 nan 8.310 nan 0.000 0.440 407 K N 1.061 121.389 120.400 -0.119 0.000 2.209 407 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 407 K C 1.553 178.123 176.600 -0.051 0.000 1.048 407 K CA 1.160 57.428 56.287 -0.032 0.000 0.940 407 K CB -0.514 32.019 32.500 0.054 0.000 0.729 407 K HN 0.842 nan 8.250 nan 0.000 0.451 408 Y N 1.052 121.344 120.300 -0.015 0.000 2.569 408 Y HA 0.021 4.571 4.550 -0.000 0.000 0.293 408 Y C 0.372 176.234 175.900 -0.064 0.000 1.144 408 Y CA 0.188 58.267 58.100 -0.034 0.000 1.321 408 Y CB -0.684 37.751 38.460 -0.042 0.000 0.982 408 Y HN -0.198 nan 8.280 nan 0.000 0.558 409 K N 2.851 122.968 120.400 -0.472 0.000 2.278 409 K HA 0.087 4.406 4.320 -0.000 0.000 0.237 409 K C -0.359 176.158 176.600 -0.137 0.000 1.229 409 K CA 0.058 56.126 56.287 -0.364 0.000 1.155 409 K CB 0.014 32.079 32.500 -0.723 0.000 1.590 409 K HN 0.284 nan 8.250 nan 0.000 0.290 410 K N 1.901 122.255 120.400 -0.076 0.000 2.412 410 K HA 0.027 4.347 4.320 -0.000 0.000 0.284 410 K C -0.148 176.370 176.600 -0.136 0.000 1.046 410 K CA -0.073 56.164 56.287 -0.083 0.000 0.999 410 K CB 0.290 32.756 32.500 -0.057 0.000 0.941 410 K HN 0.222 nan 8.250 nan 0.000 0.474 411 F N 3.596 123.336 119.950 -0.350 0.000 2.456 411 F HA 0.093 4.620 4.527 -0.000 0.000 0.358 411 F C -0.161 175.423 175.800 -0.360 0.000 1.095 411 F CA -0.254 57.522 58.000 -0.374 0.000 1.216 411 F CB 0.708 39.415 39.000 -0.487 0.000 1.125 411 F HN 0.095 nan 8.300 nan 0.000 0.549 412 V N 5.389 124.960 119.914 -0.572 0.000 2.487 412 V HA 0.742 4.862 4.120 -0.000 0.000 0.298 412 V C -0.481 175.471 176.094 -0.235 0.000 1.028 412 V CA -0.827 61.316 62.300 -0.262 0.000 0.860 412 V CB 1.269 32.974 31.823 -0.196 0.000 0.991 412 V HN 0.941 nan 8.190 nan 0.000 0.427 413 A N 4.962 127.806 122.820 0.040 0.000 2.319 413 A HA 0.847 5.167 4.320 -0.000 0.000 0.310 413 A C -0.542 177.095 177.584 0.087 0.000 1.152 413 A CA -0.723 51.380 52.037 0.111 0.000 0.783 413 A CB 1.099 20.262 19.000 0.271 0.000 1.184 413 A HN 0.775 nan 8.150 nan 0.000 0.474 414 K N 2.240 122.678 120.400 0.063 0.000 2.397 414 K HA 0.680 5.000 4.320 -0.000 0.000 0.253 414 K C -1.428 175.181 176.600 0.014 0.000 0.932 414 K CA -0.309 56.024 56.287 0.077 0.000 0.795 414 K CB 2.354 34.937 32.500 0.137 0.000 1.159 414 K HN 0.663 nan 8.250 nan 0.000 0.424 415 I N 2.729 123.306 120.570 0.012 0.000 2.436 415 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 415 I C -0.699 175.448 176.117 0.050 0.000 1.010 415 I CA -1.261 59.993 61.300 -0.077 0.000 1.098 415 I CB 2.047 39.912 38.000 -0.225 0.000 1.266 415 I HN 0.181 nan 8.210 nan 0.000 0.434 416 V N 4.491 124.412 119.914 0.010 0.000 2.417 416 V HA 0.553 4.672 4.120 -0.000 0.000 0.291 416 V C 0.165 176.269 176.094 0.017 0.000 1.024 416 V CA -0.396 61.935 62.300 0.051 0.000 0.861 416 V CB 1.907 33.778 31.823 0.080 0.000 0.985 416 V HN 0.893 nan 8.190 nan 0.000 0.436 417 T N 0.425 115.013 114.554 0.058 0.000 2.916 417 T HA 0.438 4.788 4.350 -0.000 0.000 0.292 417 T C -0.342 174.330 174.700 -0.048 0.000 1.055 417 T CA -0.850 61.262 62.100 0.021 0.000 1.009 417 T CB 1.716 70.677 68.868 0.155 0.000 1.118 417 T HN 0.452 nan 8.240 nan 0.000 0.497 418 N N 0.579 119.155 118.700 -0.207 0.000 2.402 418 N HA 0.055 4.795 4.740 -0.000 0.000 0.259 418 N C 0.684 176.196 175.510 0.003 0.000 1.167 418 N CA 0.021 52.920 53.050 -0.251 0.000 0.949 418 N CB 0.228 38.396 38.487 -0.532 0.000 1.212 418 N HN 0.862 nan 8.380 nan 0.000 0.493 419 H N 2.146 121.231 119.070 0.025 0.000 2.489 419 H HA 0.046 4.602 4.556 -0.000 0.000 0.293 419 H C 1.294 176.662 175.328 0.068 0.000 1.066 419 H CA 1.636 57.739 56.048 0.091 0.000 1.305 419 H CB 0.470 30.332 29.762 0.167 0.000 1.386 419 H HN 0.508 nan 8.280 nan 0.000 0.551 420 S N -0.301 115.411 115.700 0.021 0.000 2.423 420 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 420 S C 0.957 175.521 174.600 -0.060 0.000 1.014 420 S CA 1.363 59.551 58.200 -0.020 0.000 0.965 420 S CB 0.025 63.261 63.200 0.060 0.000 0.785 420 S HN 0.832 nan 8.310 nan 0.000 0.495 421 D N -1.920 118.450 120.400 -0.050 0.000 2.562 421 D HA 0.252 4.891 4.640 -0.000 0.000 0.246 421 D C 0.931 177.208 176.300 -0.039 0.000 1.347 421 D CA 0.518 54.492 54.000 -0.043 0.000 0.800 421 D CB -0.428 40.367 40.800 -0.009 0.000 1.111 421 D HN 0.262 nan 8.370 nan 0.000 0.508 422 G N 0.372 109.149 108.800 -0.040 0.000 2.184 422 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 422 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 422 G C 0.417 175.315 174.900 -0.003 0.000 0.975 422 G CA 0.521 45.621 45.100 0.001 0.000 0.642 422 G HN 0.446 nan 8.290 nan 0.000 0.536 423 T N 1.397 115.931 114.554 -0.034 0.000 2.853 423 T HA 0.388 4.737 4.350 -0.000 0.000 0.298 423 T C 0.894 175.560 174.700 -0.058 0.000 0.978 423 T CA 0.018 62.094 62.100 -0.039 0.000 1.152 423 T CB 1.798 70.631 68.868 -0.058 0.000 0.914 423 T HN 0.472 nan 8.240 nan 0.000 0.539 424 V N 6.251 126.153 119.914 -0.021 0.000 2.479 424 V HA 0.061 4.181 4.120 -0.000 0.000 0.281 424 V C 1.290 177.347 176.094 -0.062 0.000 1.031 424 V CA 0.274 62.541 62.300 -0.055 0.000 1.038 424 V CB 0.179 31.973 31.823 -0.048 0.000 0.981 424 V HN 0.826 nan 8.190 nan 0.000 0.478 425 L N 4.077 125.248 121.223 -0.087 0.000 2.408 425 L HA 0.494 4.834 4.340 -0.000 0.000 0.215 425 L C 1.065 177.917 176.870 -0.031 0.000 1.081 425 L CA 0.714 55.515 54.840 -0.065 0.000 0.840 425 L CB 0.091 42.085 42.059 -0.110 0.000 1.002 425 L HN 0.784 nan 8.230 nan 0.000 0.468 426 G N -0.563 108.196 108.800 -0.068 0.000 2.703 426 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 426 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 426 G C -1.938 172.749 174.900 -0.356 0.000 1.451 426 G CA -0.322 44.688 45.100 -0.151 0.000 0.869 426 G HN -0.285 nan 8.290 nan 0.000 0.516 427 V N 2.062 121.619 119.914 -0.595 0.000 2.638 427 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 427 V C -1.116 174.495 176.094 -0.806 0.000 1.052 427 V CA -0.926 61.030 62.300 -0.575 0.000 0.885 427 V CB 1.941 33.559 31.823 -0.342 0.000 0.999 427 V HN 0.813 nan 8.190 nan 0.000 0.424 428 H N 5.273 124.321 119.070 -0.036 0.000 2.744 428 H HA 0.625 5.181 4.556 -0.000 0.000 0.339 428 H C -1.189 174.102 175.328 -0.062 0.000 1.004 428 H CA -0.470 55.563 56.048 -0.025 0.000 1.257 428 H CB 2.146 31.907 29.762 -0.003 0.000 1.552 428 H HN 0.421 nan 8.280 nan 0.000 0.522 429 L N 3.622 124.835 121.223 -0.016 0.000 2.365 429 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 429 L C -0.763 175.927 176.870 -0.299 0.000 1.000 429 L CA -1.008 53.726 54.840 -0.176 0.000 0.819 429 L CB 2.567 44.578 42.059 -0.080 0.000 1.284 429 L HN 0.260 nan 8.230 nan 0.000 0.418 430 L N 2.377 123.254 121.223 -0.576 0.000 2.406 430 L HA 0.987 5.327 4.340 -0.000 0.000 0.272 430 L C -0.311 176.033 176.870 -0.876 0.000 0.980 430 L CA 0.307 54.829 54.840 -0.531 0.000 0.831 430 L CB 1.819 43.668 42.059 -0.350 0.000 1.253 430 L HN 0.723 nan 8.230 nan 0.000 0.406 431 G N 2.660 111.159 108.800 -0.502 0.000 2.333 431 G HA2 0.089 4.049 3.960 -0.000 0.000 0.330 431 G HA3 0.089 4.049 3.960 -0.000 0.000 0.330 431 G C -1.849 173.136 174.900 0.141 0.000 1.465 431 G CA -0.946 44.044 45.100 -0.182 0.000 0.996 431 G HN 0.590 nan 8.290 nan 0.000 0.655 432 D N 0.116 120.663 120.400 0.245 0.000 2.525 432 D HA 0.404 5.044 4.640 -0.000 0.000 0.235 432 D C 1.533 177.966 176.300 0.221 0.000 1.137 432 D CA 2.122 56.232 54.000 0.183 0.000 0.868 432 D CB 0.962 41.871 40.800 0.181 0.000 1.180 432 D HN 1.934 nan 8.370 nan 0.000 0.465 433 G N 1.434 110.318 108.800 0.140 0.000 2.199 433 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 433 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 433 G C 1.227 176.202 174.900 0.124 0.000 0.982 433 G CA 0.851 46.026 45.100 0.125 0.000 0.632 433 G HN 0.718 nan 8.290 nan 0.000 0.529 434 A N 1.397 124.289 122.820 0.120 0.000 1.892 434 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 434 A C 0.643 178.223 177.584 -0.006 0.000 1.188 434 A CA 2.696 54.771 52.037 0.064 0.000 0.631 434 A CB -1.209 17.749 19.000 -0.069 0.000 0.822 434 A HN 0.486 nan 8.150 nan 0.000 0.447 435 P HA -0.136 nan 4.420 nan 0.000 0.216 435 P C 1.182 178.502 177.300 0.033 0.000 1.150 435 P CA 1.199 64.253 63.100 -0.077 0.000 0.837 435 P CB -0.024 31.563 31.700 -0.187 0.000 0.786 436 E N -0.383 119.855 120.200 0.064 0.000 2.072 436 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 436 E C 2.171 178.806 176.600 0.058 0.000 0.982 436 E CA 0.878 57.319 56.400 0.068 0.000 0.803 436 E CB -0.836 28.906 29.700 0.069 0.000 0.755 436 E HN 0.317 nan 8.360 nan 0.000 0.453 437 I N 0.794 121.406 120.570 0.070 0.000 2.194 437 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 437 I C 2.410 178.570 176.117 0.071 0.000 1.093 437 I CA 0.854 62.202 61.300 0.080 0.000 1.355 437 I CB -0.164 37.911 38.000 0.124 0.000 1.046 437 I HN 0.034 nan 8.210 nan 0.000 0.413 438 I N 0.257 120.859 120.570 0.054 0.000 3.059 438 I HA -0.198 3.971 4.170 -0.000 0.000 0.270 438 I C 2.310 178.449 176.117 0.037 0.000 1.238 438 I CA 1.039 62.363 61.300 0.040 0.000 1.478 438 I CB -0.266 37.741 38.000 0.010 0.000 1.097 438 I HN 0.165 nan 8.210 nan 0.000 0.455 439 Q N 1.254 121.076 119.800 0.037 0.000 2.030 439 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 439 Q C 2.204 178.222 176.000 0.030 0.000 0.986 439 Q CA 2.591 58.412 55.803 0.030 0.000 0.843 439 Q CB -0.551 28.204 28.738 0.030 0.000 0.904 439 Q HN 0.518 nan 8.270 nan 0.000 0.420 440 A N -0.680 122.160 122.820 0.033 0.000 2.067 440 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 440 A C 2.196 179.809 177.584 0.049 0.000 1.158 440 A CA 1.216 53.268 52.037 0.026 0.000 0.661 440 A CB -0.510 18.497 19.000 0.012 0.000 0.801 440 A HN 0.279 nan 8.150 nan 0.000 0.452 441 V N 0.035 120.003 119.914 0.090 0.000 2.407 441 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 441 V C 2.813 178.964 176.094 0.094 0.000 1.055 441 V CA 1.778 64.171 62.300 0.155 0.000 1.049 441 V CB -1.526 30.379 31.823 0.137 0.000 0.662 441 V HN 0.589 nan 8.190 nan 0.000 0.455 442 G N 0.386 109.214 108.800 0.047 0.000 2.476 442 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 442 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 442 G C 1.633 176.547 174.900 0.023 0.000 1.164 442 G CA 1.523 46.639 45.100 0.025 0.000 0.768 442 G HN 0.425 nan 8.290 nan 0.000 0.560 443 V N 0.459 120.384 119.914 0.018 0.000 2.343 443 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 443 V C 3.056 179.153 176.094 0.005 0.000 1.051 443 V CA 1.682 63.985 62.300 0.005 0.000 1.036 443 V CB -1.010 30.809 31.823 -0.006 0.000 0.654 443 V HN 0.510 nan 8.190 nan 0.000 0.451 444 C N -0.114 119.196 119.300 0.017 0.000 2.385 444 C HA -0.191 4.269 4.460 -0.000 0.000 0.275 444 C C 2.577 177.602 174.990 0.057 0.000 1.207 444 C CA 0.971 59.999 59.018 0.016 0.000 1.760 444 C CB -1.226 26.561 27.740 0.080 0.000 2.051 444 C HN 0.489 nan 8.230 nan 0.000 0.467 445 L N 0.570 121.839 121.223 0.076 0.000 2.362 445 L HA -0.031 4.308 4.340 -0.000 0.000 0.219 445 L C 2.398 179.287 176.870 0.033 0.000 1.134 445 L CA 1.576 56.452 54.840 0.059 0.000 0.807 445 L CB -0.706 41.380 42.059 0.044 0.000 0.927 445 L HN 0.344 nan 8.230 nan 0.000 0.447 446 R N -0.932 119.581 120.500 0.021 0.000 2.310 446 R HA 0.171 4.510 4.340 -0.000 0.000 0.202 446 R C 0.616 176.920 176.300 0.007 0.000 0.933 446 R CA 0.211 56.318 56.100 0.011 0.000 1.054 446 R CB 0.063 30.365 30.300 0.003 0.000 0.985 446 R HN 0.292 nan 8.270 nan 0.000 0.489 447 L N 0.912 122.139 121.223 0.006 0.000 3.110 447 L HA 0.175 4.514 4.340 -0.000 0.000 0.266 447 L C 0.413 177.285 176.870 0.004 0.000 1.257 447 L CA -0.229 54.609 54.840 -0.003 0.000 1.038 447 L CB -0.028 42.018 42.059 -0.022 0.000 1.395 447 L HN 0.267 nan 8.230 nan 0.000 0.566 448 N N 1.413 120.123 118.700 0.017 0.000 2.725 448 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 448 N C 0.160 175.686 175.510 0.027 0.000 1.103 448 N CA 0.408 53.471 53.050 0.022 0.000 0.707 448 N CB -0.102 38.395 38.487 0.016 0.000 1.043 448 N HN 0.429 nan 8.380 nan 0.000 0.553 449 A N 1.053 123.900 122.820 0.045 0.000 2.488 449 A HA 0.289 4.608 4.320 -0.000 0.000 0.249 449 A C 0.448 178.097 177.584 0.109 0.000 1.083 449 A CA 0.298 52.376 52.037 0.068 0.000 0.768 449 A CB 0.473 19.536 19.000 0.104 0.000 1.017 449 A HN 0.415 nan 8.150 nan 0.000 0.496 450 K N 1.497 121.954 120.400 0.094 0.000 2.168 450 K HA 0.344 4.664 4.320 -0.000 0.000 0.239 450 K C 1.006 177.692 176.600 0.143 0.000 0.999 450 K CA -0.756 55.580 56.287 0.083 0.000 0.900 450 K CB 1.354 33.879 32.500 0.042 0.000 1.111 450 K HN 0.592 nan 8.250 nan 0.000 0.452 451 I N 1.431 122.031 120.570 0.049 0.000 2.264 451 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 451 I C 1.949 178.112 176.117 0.077 0.000 1.111 451 I CA 1.962 63.242 61.300 -0.032 0.000 1.382 451 I CB -0.153 37.672 38.000 -0.291 0.000 1.060 451 I HN 0.713 nan 8.210 nan 0.000 0.418 452 S N -0.658 115.083 115.700 0.068 0.000 2.453 452 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 452 S C 1.665 176.340 174.600 0.125 0.000 1.005 452 S CA 0.940 59.207 58.200 0.111 0.000 0.949 452 S CB -0.646 62.594 63.200 0.066 0.000 0.774 452 S HN 0.506 nan 8.310 nan 0.000 0.510 453 D N 1.046 121.499 120.400 0.088 0.000 2.149 453 D HA 0.038 4.678 4.640 -0.000 0.000 0.201 453 D C 1.462 177.727 176.300 -0.058 0.000 0.972 453 D CA 0.825 54.824 54.000 -0.002 0.000 0.835 453 D CB -0.418 40.348 40.800 -0.057 0.000 0.966 453 D HN 0.425 nan 8.370 nan 0.000 0.476 454 F N 0.435 120.375 119.950 -0.017 0.000 2.069 454 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 454 F C 2.471 178.257 175.800 -0.023 0.000 1.113 454 F CA 1.163 59.147 58.000 -0.027 0.000 1.214 454 F CB -0.699 38.274 39.000 -0.045 0.000 0.978 454 F HN -0.026 nan 8.300 nan 0.000 0.474 455 Y N 1.067 121.429 120.300 0.104 0.000 2.224 455 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 455 Y C 1.941 177.849 175.900 0.013 0.000 1.146 455 Y CA 1.544 59.666 58.100 0.038 0.000 1.182 455 Y CB -0.464 37.996 38.460 0.002 0.000 0.983 455 Y HN -0.029 nan 8.280 nan 0.000 0.524 456 N N -0.460 118.258 118.700 0.030 0.000 2.461 456 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 456 N C -0.024 175.420 175.510 -0.110 0.000 1.134 456 N CA 0.651 53.679 53.050 -0.038 0.000 0.878 456 N CB -0.188 38.330 38.487 0.052 0.000 0.972 456 N HN 0.148 nan 8.380 nan 0.000 0.456 457 T N 1.412 115.890 114.554 -0.128 0.000 2.897 457 T HA 0.318 4.667 4.350 -0.000 0.000 0.294 457 T C 0.858 175.473 174.700 -0.141 0.000 1.004 457 T CA -0.352 61.671 62.100 -0.129 0.000 1.106 457 T CB 1.232 70.011 68.868 -0.147 0.000 0.949 457 T HN -0.036 nan 8.240 nan 0.000 0.520 458 I N 2.768 123.271 120.570 -0.112 0.000 2.471 458 I HA 0.233 4.402 4.170 -0.000 0.000 0.286 458 I C 1.476 177.545 176.117 -0.079 0.000 1.079 458 I CA -0.323 60.915 61.300 -0.103 0.000 1.398 458 I CB 0.456 38.408 38.000 -0.079 0.000 1.403 458 I HN 0.669 nan 8.210 nan 0.000 0.530 459 G N 5.644 114.396 108.800 -0.080 0.000 2.614 459 G HA2 0.302 4.262 3.960 -0.000 0.000 0.239 459 G HA3 0.302 4.262 3.960 -0.000 0.000 0.239 459 G C -0.297 174.599 174.900 -0.007 0.000 1.240 459 G CA -0.393 44.684 45.100 -0.038 0.000 0.842 459 G HN 0.404 nan 8.290 nan 0.000 0.584 460 V N 1.823 121.746 119.914 0.014 0.000 2.394 460 V HA 0.347 4.467 4.120 -0.000 0.000 0.282 460 V C -0.209 175.931 176.094 0.076 0.000 1.031 460 V CA -0.543 61.774 62.300 0.028 0.000 0.881 460 V CB 1.100 32.925 31.823 0.004 0.000 0.982 460 V HN 0.888 nan 8.190 nan 0.000 0.451 461 H N 5.674 124.722 119.070 -0.037 0.000 2.572 461 H HA 0.762 5.317 4.556 -0.000 0.000 0.359 461 H C -2.616 172.693 175.328 -0.032 0.000 1.134 461 H CA -1.756 54.269 56.048 -0.038 0.000 1.187 461 H CB 2.170 31.908 29.762 -0.040 0.000 1.597 461 H HN 0.541 nan 8.280 nan 0.000 0.524 462 P HA 0.326 nan 4.420 nan 0.000 0.301 462 P C -1.322 175.853 177.300 -0.208 0.000 1.348 462 P CA -0.669 62.081 63.100 -0.583 0.000 0.826 462 P CB 1.527 32.812 31.700 -0.692 0.000 0.945 463 T N -2.107 112.387 114.554 -0.100 0.000 2.883 463 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 463 T C 0.870 175.505 174.700 -0.107 0.000 1.117 463 T CA -0.591 61.455 62.100 -0.089 0.000 1.006 463 T CB 1.205 70.040 68.868 -0.056 0.000 1.191 463 T HN 0.001 nan 8.240 nan 0.000 0.508 464 S N 0.484 116.056 115.700 -0.213 0.000 2.383 464 S HA -0.004 4.466 4.470 -0.000 0.000 0.227 464 S C 2.490 176.908 174.600 -0.304 0.000 1.026 464 S CA 1.030 58.953 58.200 -0.463 0.000 0.981 464 S CB -0.873 61.672 63.200 -1.093 0.000 0.818 464 S HN 0.927 nan 8.310 nan 0.000 0.472 465 A N 2.465 125.199 122.820 -0.143 0.000 1.948 465 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 465 A C 2.037 179.643 177.584 0.037 0.000 1.177 465 A CA 1.786 53.819 52.037 -0.007 0.000 0.636 465 A CB -0.754 18.261 19.000 0.025 0.000 0.815 465 A HN 0.774 nan 8.150 nan 0.000 0.449 466 E N -0.657 119.557 120.200 0.023 0.000 2.267 466 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 466 E C 1.518 178.155 176.600 0.061 0.000 0.998 466 E CA 1.242 57.666 56.400 0.041 0.000 0.830 466 E CB -0.286 29.440 29.700 0.044 0.000 0.751 466 E HN 0.460 nan 8.360 nan 0.000 0.491 467 E N 1.274 121.521 120.200 0.079 0.000 2.171 467 E HA -0.122 4.227 4.350 -0.000 0.000 0.197 467 E C 1.932 178.612 176.600 0.132 0.000 0.997 467 E CA 0.858 57.339 56.400 0.136 0.000 0.810 467 E CB -0.230 29.599 29.700 0.215 0.000 0.738 467 E HN 0.430 nan 8.360 nan 0.000 0.467 468 L N -1.009 120.289 121.223 0.125 0.000 2.376 468 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 468 L C 1.374 178.347 176.870 0.171 0.000 1.133 468 L CA 0.448 55.356 54.840 0.112 0.000 0.816 468 L CB 0.032 42.175 42.059 0.141 0.000 0.933 468 L HN 0.158 nan 8.230 nan 0.000 0.449 469 C N -1.367 118.015 119.300 0.137 0.000 2.778 469 C HA 0.201 4.661 4.460 -0.000 0.000 0.294 469 C C 1.717 176.679 174.990 -0.047 0.000 1.331 469 C CA -0.230 58.831 59.018 0.071 0.000 1.741 469 C CB -0.772 26.973 27.740 0.007 0.000 2.106 469 C HN 0.300 nan 8.230 nan 0.000 0.603 470 S N 0.281 116.016 115.700 0.059 0.000 2.846 470 S HA 0.340 4.809 4.470 -0.000 0.000 0.249 470 S C 0.126 174.896 174.600 0.283 0.000 1.028 470 S CA -0.080 58.181 58.200 0.103 0.000 1.043 470 S CB 0.022 63.259 63.200 0.062 0.000 0.990 470 S HN 0.535 nan 8.310 nan 0.000 0.564 471 M N 2.240 122.020 119.600 0.300 0.000 2.227 471 M HA 0.427 4.906 4.480 -0.000 0.000 0.335 471 M C 0.813 177.214 176.300 0.167 0.000 1.053 471 M CA -0.236 55.208 55.300 0.240 0.000 0.973 471 M CB 1.627 34.325 32.600 0.164 0.000 1.623 471 M HN 0.178 nan 8.290 nan 0.000 0.434 472 R N -0.071 120.465 120.500 0.060 0.000 2.555 472 R HA 0.269 4.608 4.340 -0.000 0.000 0.312 472 R C -0.764 175.629 176.300 0.155 0.000 0.938 472 R CA -0.205 55.799 56.100 -0.161 0.000 1.112 472 R CB 0.513 30.305 30.300 -0.846 0.000 1.535 472 R HN 0.458 nan 8.270 nan 0.000 0.525 473 T N 3.660 118.351 114.554 0.228 0.000 2.791 473 T HA 0.408 4.758 4.350 -0.000 0.000 0.288 473 T C -2.687 171.957 174.700 -0.093 0.000 0.999 473 T CA -1.630 60.538 62.100 0.113 0.000 0.952 473 T CB 2.057 70.947 68.868 0.037 0.000 0.938 473 T HN -0.045 nan 8.240 nan 0.000 0.444 474 P HA 0.138 nan 4.420 nan 0.000 0.266 474 P C 0.441 177.379 177.300 -0.603 0.000 1.193 474 P CA 0.072 62.520 63.100 -1.087 0.000 0.770 474 P CB 0.555 31.499 31.700 -1.261 0.000 0.836 475 S N 0.846 116.205 115.700 -0.568 0.000 2.439 475 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 475 S C 0.186 174.674 174.600 -0.187 0.000 1.029 475 S CA 0.757 58.805 58.200 -0.254 0.000 0.946 475 S CB -0.430 62.715 63.200 -0.092 0.000 0.797 475 S HN 0.677 nan 8.310 nan 0.000 0.504 476 Y N -2.281 117.702 120.300 -0.529 0.000 2.788 476 Y HA 0.691 5.241 4.550 -0.000 0.000 0.335 476 Y C -1.664 173.750 175.900 -0.810 0.000 1.287 476 Y CA -2.181 55.618 58.100 -0.501 0.000 1.068 476 Y CB 0.502 38.785 38.460 -0.294 0.000 1.340 476 Y HN -0.089 nan 8.280 nan 0.000 0.449 477 Y N -0.785 119.431 120.300 -0.139 0.000 2.605 477 Y HA 0.673 5.223 4.550 -0.000 0.000 0.343 477 Y C -1.507 174.204 175.900 -0.315 0.000 1.036 477 Y CA -1.463 56.508 58.100 -0.216 0.000 1.065 477 Y CB 2.094 40.438 38.460 -0.194 0.000 1.288 477 Y HN 0.555 nan 8.280 nan 0.000 0.481 478 Y N 0.478 120.904 120.300 0.209 0.000 2.331 478 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 478 Y C -0.813 175.171 175.900 0.141 0.000 0.960 478 Y CA -1.102 57.096 58.100 0.163 0.000 1.130 478 Y CB 1.703 40.246 38.460 0.139 0.000 1.164 478 Y HN 0.192 nan 8.280 nan 0.000 0.458 479 V N 4.423 124.467 119.914 0.217 0.000 2.357 479 V HA 0.261 4.381 4.120 -0.000 0.000 0.284 479 V C 0.058 176.236 176.094 0.140 0.000 1.018 479 V CA -1.519 60.869 62.300 0.147 0.000 0.841 479 V CB 1.271 33.132 31.823 0.064 0.000 0.991 479 V HN 0.833 nan 8.190 nan 0.000 0.437 480 K N 3.705 124.187 120.400 0.136 0.000 3.088 480 K HA -0.256 4.064 4.320 -0.000 0.000 0.273 480 K C 1.082 177.749 176.600 0.113 0.000 1.111 480 K CA 0.783 57.133 56.287 0.106 0.000 0.803 480 K CB -1.364 31.179 32.500 0.072 0.000 1.226 480 K HN 1.519 nan 8.250 nan 0.000 0.485 481 G N 0.291 109.189 108.800 0.164 0.000 2.179 481 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 481 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 481 G C -0.273 174.779 174.900 0.253 0.000 0.990 481 G CA 0.281 45.477 45.100 0.161 0.000 0.646 481 G HN 0.434 nan 8.290 nan 0.000 0.517 482 E N 0.877 121.229 120.200 0.252 0.000 2.133 482 E HA 0.469 4.819 4.350 -0.000 0.000 0.274 482 E C 0.060 176.753 176.600 0.154 0.000 0.930 482 E CA -0.814 55.704 56.400 0.198 0.000 0.770 482 E CB 0.555 30.315 29.700 0.100 0.000 1.104 482 E HN 0.150 nan 8.360 nan 0.000 0.403 483 K N 6.429 126.874 120.400 0.074 0.000 2.383 483 K HA 0.164 4.483 4.320 -0.000 0.000 0.286 483 K C -0.314 176.185 176.600 -0.169 0.000 1.051 483 K CA 0.214 56.318 56.287 -0.306 0.000 0.974 483 K CB 0.304 32.646 32.500 -0.264 0.000 0.968 483 K HN 0.607 nan 8.250 nan 0.000 0.475 484 M N 1.570 121.081 119.600 -0.148 0.000 2.644 484 M HA 0.236 4.716 4.480 -0.000 0.000 0.273 484 M C -0.038 176.277 176.300 0.026 0.000 1.253 484 M CA -0.687 54.580 55.300 -0.054 0.000 0.852 484 M CB 1.704 34.294 32.600 -0.017 0.000 1.708 484 M HN 0.476 nan 8.290 nan 0.000 0.471 485 E N -0.141 120.082 120.200 0.039 0.000 2.472 485 E HA 0.341 4.690 4.350 -0.000 0.000 0.196 485 E C 0.118 176.828 176.600 0.184 0.000 1.033 485 E CA 0.439 56.903 56.400 0.107 0.000 0.886 485 E CB 0.371 30.093 29.700 0.037 0.000 0.944 485 E HN 0.709 nan 8.360 nan 0.000 0.492 486 K N 0.965 121.428 120.400 0.104 0.000 2.375 486 K HA 0.512 4.831 4.320 -0.000 0.000 0.249 486 K C -0.982 175.532 176.600 -0.142 0.000 0.942 486 K CA -0.854 55.444 56.287 0.018 0.000 0.806 486 K CB 1.288 33.783 32.500 -0.008 0.000 1.227 486 K HN 0.046 nan 8.250 nan 0.000 0.430 487 L N 2.999 124.009 121.223 -0.356 0.000 2.395 487 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 487 L C -1.436 175.321 176.870 -0.189 0.000 1.133 487 L CA -1.902 52.687 54.840 -0.419 0.000 0.812 487 L CB 0.430 42.163 42.059 -0.543 0.000 1.125 487 L HN 0.782 nan 8.230 nan 0.000 0.452 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.056 63.100 -0.073 0.000 0.800 488 P CB 0.000 31.672 31.700 -0.046 0.000 0.726