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 1pky_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE KLRITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.033 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 2.396 122.816 120.400 0.032 0.000 2.336 2 K HA 0.245 4.565 4.320 -0.000 0.000 0.262 2 K C 0.459 177.080 176.600 0.035 0.000 0.992 2 K CA 0.368 56.675 56.287 0.034 0.000 0.927 2 K CB 1.504 34.023 32.500 0.032 0.000 0.956 2 K HN 0.328 nan 8.250 nan 0.000 0.495 3 K N -0.039 120.384 120.400 0.039 0.000 2.367 3 K HA 0.000 4.320 4.320 -0.000 0.000 0.198 3 K C 0.330 176.948 176.600 0.030 0.000 1.132 3 K CA 0.473 56.782 56.287 0.035 0.000 0.941 3 K CB 0.752 33.278 32.500 0.043 0.000 1.052 3 K HN 0.886 nan 8.250 nan 0.000 0.507 4 T N 1.027 115.603 114.554 0.037 0.000 2.913 4 T HA 0.178 4.528 4.350 -0.000 0.000 0.297 4 T C -0.031 174.685 174.700 0.027 0.000 1.029 4 T CA -0.602 61.517 62.100 0.031 0.000 1.104 4 T CB 0.858 69.749 68.868 0.039 0.000 0.964 4 T HN -0.234 nan 8.240 nan 0.000 0.532 5 K N 2.807 123.219 120.400 0.021 0.000 2.098 5 K HA 0.532 4.852 4.320 -0.000 0.000 0.258 5 K C -0.268 176.345 176.600 0.021 0.000 0.973 5 K CA -0.743 55.558 56.287 0.024 0.000 0.898 5 K CB 1.555 34.069 32.500 0.023 0.000 1.057 5 K HN 0.679 nan 8.250 nan 0.000 0.447 6 I N 2.014 122.600 120.570 0.027 0.000 2.382 6 I HA 0.164 4.334 4.170 -0.000 0.000 0.286 6 I C -0.334 175.802 176.117 0.031 0.000 1.002 6 I CA -1.183 60.133 61.300 0.027 0.000 1.135 6 I CB 1.748 39.765 38.000 0.030 0.000 1.288 6 I HN 0.045 nan 8.210 nan 0.000 0.448 7 V N 5.536 125.464 119.914 0.024 0.000 2.461 7 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 7 V C -0.030 176.087 176.094 0.039 0.000 1.047 7 V CA -0.294 62.025 62.300 0.032 0.000 0.955 7 V CB 1.002 32.837 31.823 0.019 0.000 0.988 7 V HN 0.779 nan 8.190 nan 0.000 0.471 8 C N 3.507 122.837 119.300 0.049 0.000 2.408 8 C HA 0.504 4.964 4.460 -0.000 0.000 0.321 8 C C 0.733 175.760 174.990 0.062 0.000 1.245 8 C CA -0.613 58.435 59.018 0.050 0.000 1.523 8 C CB 1.367 29.136 27.740 0.047 0.000 2.178 8 C HN 0.900 nan 8.230 nan 0.000 0.488 9 T N 5.046 119.637 114.554 0.063 0.000 2.752 9 T HA 0.255 4.605 4.350 -0.000 0.000 0.295 9 T C 0.170 174.911 174.700 0.068 0.000 0.923 9 T CA -0.074 62.072 62.100 0.076 0.000 1.112 9 T CB -0.100 68.815 68.868 0.078 0.000 0.884 9 T HN 0.339 nan 8.240 nan 0.000 0.525 10 I N 3.943 124.560 120.570 0.079 0.000 2.325 10 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 10 I C 0.984 177.134 176.117 0.054 0.000 1.019 10 I CA -0.302 61.035 61.300 0.062 0.000 1.302 10 I CB 0.446 38.488 38.000 0.070 0.000 1.401 10 I HN 0.745 nan 8.210 nan 0.000 0.485 11 G N 7.823 116.636 108.800 0.022 0.000 3.209 11 G HA2 0.568 4.528 3.960 -0.000 0.000 0.236 11 G HA3 0.568 4.528 3.960 -0.000 0.000 0.236 11 G C -2.041 172.841 174.900 -0.030 0.000 1.329 11 G CA -0.542 44.553 45.100 -0.010 0.000 1.015 11 G HN 0.355 nan 8.290 nan 0.000 0.571 12 P HA -0.121 nan 4.420 nan 0.000 0.216 12 P C 1.278 178.553 177.300 -0.042 0.000 1.153 12 P CA 1.366 64.432 63.100 -0.056 0.000 0.848 12 P CB 0.231 31.889 31.700 -0.071 0.000 0.787 13 K N 0.045 120.419 120.400 -0.043 0.000 2.574 13 K HA -0.024 4.296 4.320 -0.000 0.000 0.193 13 K C 0.848 177.432 176.600 -0.027 0.000 1.035 13 K CA 1.391 57.654 56.287 -0.040 0.000 0.982 13 K CB -0.177 32.293 32.500 -0.051 0.000 0.795 13 K HN 0.256 nan 8.250 nan 0.000 0.491 14 T N -3.670 110.874 114.554 -0.016 0.000 3.130 14 T HA 0.044 4.394 4.350 -0.000 0.000 0.288 14 T C 0.852 175.555 174.700 0.005 0.000 0.936 14 T CA -0.431 61.667 62.100 -0.003 0.000 0.897 14 T CB 0.148 69.020 68.868 0.007 0.000 1.178 14 T HN 0.325 nan 8.240 nan 0.000 0.543 15 E N 2.252 122.452 120.200 0.001 0.000 2.482 15 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 15 E C 0.598 177.205 176.600 0.011 0.000 1.047 15 E CA 0.113 56.519 56.400 0.010 0.000 0.869 15 E CB -0.212 29.489 29.700 0.003 0.000 0.836 15 E HN 0.564 nan 8.360 nan 0.000 0.520 16 S N 0.856 116.559 115.700 0.005 0.000 2.565 16 S HA 0.116 4.586 4.470 -0.000 0.000 0.274 16 S C 0.718 175.324 174.600 0.009 0.000 1.309 16 S CA -0.725 57.478 58.200 0.005 0.000 1.043 16 S CB 1.776 64.975 63.200 -0.001 0.000 0.939 16 S HN 0.146 nan 8.310 nan 0.000 0.504 17 E N 1.122 121.329 120.200 0.010 0.000 2.130 17 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 17 E C 1.801 178.408 176.600 0.011 0.000 0.998 17 E CA 1.521 57.929 56.400 0.012 0.000 0.806 17 E CB -0.075 29.632 29.700 0.011 0.000 0.738 17 E HN 0.901 nan 8.360 nan 0.000 0.459 18 E N 0.174 120.380 120.200 0.008 0.000 2.051 18 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 18 E C 2.100 178.705 176.600 0.009 0.000 0.991 18 E CA 0.841 57.245 56.400 0.008 0.000 0.799 18 E CB 0.104 29.807 29.700 0.005 0.000 0.748 18 E HN 0.129 nan 8.360 nan 0.000 0.449 19 M N 0.644 120.249 119.600 0.008 0.000 2.064 19 M HA -0.118 4.362 4.480 -0.000 0.000 0.260 19 M C 2.428 178.737 176.300 0.015 0.000 1.073 19 M CA 1.277 56.583 55.300 0.009 0.000 1.124 19 M CB -0.874 31.729 32.600 0.005 0.000 1.326 19 M HN 0.220 nan 8.290 nan 0.000 0.410 20 L N -0.379 120.854 121.223 0.017 0.000 2.081 20 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 20 L C 2.570 179.453 176.870 0.022 0.000 1.080 20 L CA 1.352 56.205 54.840 0.022 0.000 0.754 20 L CB -1.113 40.961 42.059 0.024 0.000 0.893 20 L HN 0.297 nan 8.230 nan 0.000 0.433 21 A N 0.429 123.260 122.820 0.019 0.000 1.902 21 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 21 A C 2.329 179.925 177.584 0.020 0.000 1.181 21 A CA 1.700 53.748 52.037 0.019 0.000 0.623 21 A CB -0.306 18.704 19.000 0.017 0.000 0.818 21 A HN 0.368 nan 8.150 nan 0.000 0.443 22 K N -0.795 119.617 120.400 0.019 0.000 2.097 22 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 22 K C 2.059 178.673 176.600 0.024 0.000 1.050 22 K CA 1.388 57.687 56.287 0.021 0.000 0.938 22 K CB -0.297 32.215 32.500 0.019 0.000 0.718 22 K HN 0.325 nan 8.250 nan 0.000 0.442 23 M N 0.976 120.591 119.600 0.025 0.000 2.073 23 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 23 M C 2.286 178.605 176.300 0.030 0.000 1.070 23 M CA 1.719 57.036 55.300 0.029 0.000 1.103 23 M CB -1.030 31.588 32.600 0.030 0.000 1.321 23 M HN 0.178 nan 8.290 nan 0.000 0.405 24 L N -0.339 120.902 121.223 0.029 0.000 2.083 24 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 24 L C 2.130 179.018 176.870 0.029 0.000 1.083 24 L CA 1.056 55.914 54.840 0.031 0.000 0.752 24 L CB -0.702 41.374 42.059 0.030 0.000 0.899 24 L HN 0.283 nan 8.230 nan 0.000 0.433 25 D N 0.009 120.425 120.400 0.027 0.000 2.144 25 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 25 D C 2.140 178.456 176.300 0.026 0.000 0.978 25 D CA 1.413 55.428 54.000 0.025 0.000 0.833 25 D CB 0.115 40.929 40.800 0.023 0.000 0.961 25 D HN 0.301 nan 8.370 nan 0.000 0.470 26 A N -0.634 122.202 122.820 0.027 0.000 2.119 26 A HA 0.331 4.651 4.320 -0.000 0.000 0.216 26 A C 1.777 179.378 177.584 0.028 0.000 1.152 26 A CA 1.625 53.679 52.037 0.027 0.000 0.708 26 A CB 0.151 19.168 19.000 0.029 0.000 0.805 26 A HN 0.319 nan 8.150 nan 0.000 0.460 27 G N -2.300 106.518 108.800 0.030 0.000 2.613 27 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.199 27 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.199 27 G C 0.223 175.143 174.900 0.034 0.000 0.991 27 G CA -0.004 45.115 45.100 0.031 0.000 0.756 27 G HN 0.373 nan 8.290 nan 0.000 0.515 28 M N 1.321 120.942 119.600 0.035 0.000 2.252 28 M HA 0.357 4.837 4.480 -0.000 0.000 0.348 28 M C 0.987 177.313 176.300 0.043 0.000 1.334 28 M CA 1.011 56.335 55.300 0.039 0.000 1.071 28 M CB 0.259 32.882 32.600 0.039 0.000 1.763 28 M HN 0.238 nan 8.290 nan 0.000 0.452 29 N N 2.147 120.876 118.700 0.048 0.000 2.445 29 N HA 0.201 4.941 4.740 -0.000 0.000 0.204 29 N C -1.199 174.354 175.510 0.072 0.000 1.098 29 N CA -0.171 52.913 53.050 0.058 0.000 0.859 29 N CB 1.113 39.635 38.487 0.057 0.000 1.249 29 N HN 0.381 nan 8.380 nan 0.000 0.462 30 V N 1.661 121.617 119.914 0.071 0.000 2.638 30 V HA 0.337 4.457 4.120 -0.000 0.000 0.306 30 V C -0.934 175.209 176.094 0.081 0.000 1.052 30 V CA -0.674 61.681 62.300 0.092 0.000 0.885 30 V CB 2.112 33.995 31.823 0.101 0.000 0.999 30 V HN 0.177 nan 8.190 nan 0.000 0.424 31 M N 5.236 124.889 119.600 0.087 0.000 2.084 31 M HA 0.481 4.961 4.480 -0.000 0.000 0.351 31 M C 0.015 176.384 176.300 0.115 0.000 1.240 31 M CA -0.321 55.034 55.300 0.091 0.000 1.083 31 M CB 0.357 33.008 32.600 0.086 0.000 1.593 31 M HN 0.733 nan 8.290 nan 0.000 0.463 32 R N 5.735 126.301 120.500 0.110 0.000 2.221 32 R HA 0.467 4.807 4.340 -0.000 0.000 0.327 32 R C -1.699 174.695 176.300 0.157 0.000 1.033 32 R CA -0.397 55.779 56.100 0.127 0.000 0.887 32 R CB 0.593 30.953 30.300 0.100 0.000 1.057 32 R HN 0.821 nan 8.270 nan 0.000 0.455 33 L N 4.554 125.900 121.223 0.204 0.000 2.262 33 L HA 0.275 4.615 4.340 -0.000 0.000 0.288 33 L C -0.180 176.840 176.870 0.250 0.000 1.035 33 L CA -0.859 54.128 54.840 0.244 0.000 0.820 33 L CB 1.271 43.530 42.059 0.333 0.000 1.204 33 L HN 0.625 nan 8.230 nan 0.000 0.424 34 N N 3.070 121.882 118.700 0.187 0.000 2.437 34 N HA 0.126 4.866 4.740 -0.000 0.000 0.243 34 N C -0.122 175.437 175.510 0.081 0.000 1.041 34 N CA -0.157 52.989 53.050 0.160 0.000 0.940 34 N CB 0.449 39.016 38.487 0.133 0.000 1.133 34 N HN 0.290 nan 8.380 nan 0.000 0.506 35 F N 1.322 121.242 119.950 -0.050 0.000 2.696 35 F HA 0.083 4.610 4.527 -0.000 0.000 0.296 35 F C 1.890 177.632 175.800 -0.096 0.000 1.181 35 F CA -0.081 57.876 58.000 -0.073 0.000 1.411 35 F CB -0.335 38.602 39.000 -0.106 0.000 1.014 35 F HN 0.542 nan 8.300 nan 0.000 0.512 36 S N -1.801 113.833 115.700 -0.110 0.000 2.631 36 S HA 0.152 4.622 4.470 -0.000 0.000 0.217 36 S C 0.076 174.283 174.600 -0.656 0.000 0.958 36 S CA 0.067 58.060 58.200 -0.344 0.000 0.920 36 S CB -0.660 62.291 63.200 -0.417 0.000 0.776 36 S HN 0.460 nan 8.310 nan 0.000 0.517 37 H N -0.900 118.161 119.070 -0.015 0.000 3.064 37 H HA 0.578 5.134 4.556 -0.000 0.000 0.352 37 H C -0.060 175.213 175.328 -0.091 0.000 1.260 37 H CA -0.200 55.814 56.048 -0.056 0.000 1.160 37 H CB 1.590 31.320 29.762 -0.053 0.000 1.879 37 H HN 0.460 nan 8.280 nan 0.000 0.544 38 G N 2.447 111.224 108.800 -0.039 0.000 3.019 38 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 38 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 38 G C -0.633 174.098 174.900 -0.281 0.000 1.056 38 G CA -0.343 44.602 45.100 -0.258 0.000 0.774 38 G HN 0.849 nan 8.290 nan 0.000 0.583 39 D N 1.348 121.586 120.400 -0.270 0.000 2.371 39 D HA 0.242 4.882 4.640 -0.000 0.000 0.242 39 D C 1.192 177.399 176.300 -0.155 0.000 1.218 39 D CA -0.483 53.360 54.000 -0.262 0.000 0.945 39 D CB 0.402 41.092 40.800 -0.183 0.000 1.137 39 D HN 0.302 nan 8.370 nan 0.000 0.464 40 Y N -0.176 120.039 120.300 -0.141 0.000 2.352 40 Y HA -0.000 4.550 4.550 -0.000 0.000 0.292 40 Y C 2.553 178.482 175.900 0.048 0.000 1.136 40 Y CA 0.769 58.739 58.100 -0.218 0.000 1.227 40 Y CB -1.243 37.100 38.460 -0.195 0.000 0.991 40 Y HN 0.586 nan 8.280 nan 0.000 0.545 41 A N -0.206 122.719 122.820 0.175 0.000 1.898 41 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 41 A C 2.214 179.855 177.584 0.095 0.000 1.181 41 A CA 1.632 53.753 52.037 0.141 0.000 0.620 41 A CB -0.632 18.410 19.000 0.071 0.000 0.819 41 A HN 0.428 nan 8.150 nan 0.000 0.442 42 E N -0.837 119.355 120.200 -0.014 0.000 2.012 42 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 42 E C 2.016 178.594 176.600 -0.036 0.000 1.007 42 E CA 1.423 57.762 56.400 -0.102 0.000 0.816 42 E CB -0.242 29.283 29.700 -0.291 0.000 0.762 42 E HN 0.699 nan 8.360 nan 0.000 0.451 43 H N -0.862 118.243 119.070 0.059 0.000 2.390 43 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 43 H C 2.088 177.624 175.328 0.347 0.000 1.106 43 H CA 1.362 57.517 56.048 0.179 0.000 1.297 43 H CB -0.721 29.149 29.762 0.180 0.000 1.375 43 H HN 0.384 nan 8.280 nan 0.000 0.509 44 G N 0.253 109.375 108.800 0.536 0.000 2.422 44 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 44 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 44 G C 1.815 176.833 174.900 0.197 0.000 1.146 44 G CA 0.904 46.239 45.100 0.392 0.000 0.769 44 G HN 0.321 nan 8.290 nan 0.000 0.547 45 Q N 0.540 120.430 119.800 0.149 0.000 2.083 45 Q HA 0.058 4.397 4.340 -0.000 0.000 0.198 45 Q C 2.724 178.772 176.000 0.080 0.000 0.969 45 Q CA 1.022 56.876 55.803 0.086 0.000 0.838 45 Q CB -0.260 28.510 28.738 0.053 0.000 0.900 45 Q HN 0.452 nan 8.270 nan 0.000 0.436 46 R N -0.070 120.487 120.500 0.095 0.000 2.091 46 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 46 R C 2.373 178.731 176.300 0.097 0.000 1.136 46 R CA 1.613 57.768 56.100 0.091 0.000 0.959 46 R CB -0.720 29.649 30.300 0.116 0.000 0.856 46 R HN 0.352 nan 8.270 nan 0.000 0.437 47 I N 0.950 121.597 120.570 0.129 0.000 2.118 47 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 47 I C 2.803 178.944 176.117 0.040 0.000 1.070 47 I CA 1.553 62.903 61.300 0.083 0.000 1.327 47 I CB -0.315 37.733 38.000 0.081 0.000 1.034 47 I HN 0.168 nan 8.210 nan 0.000 0.405 48 Q N 1.364 121.190 119.800 0.044 0.000 1.993 48 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 48 Q C 1.900 177.913 176.000 0.022 0.000 0.984 48 Q CA 1.912 57.730 55.803 0.025 0.000 0.837 48 Q CB -0.327 28.428 28.738 0.030 0.000 0.902 48 Q HN 0.327 nan 8.270 nan 0.000 0.423 49 N N 0.035 118.753 118.700 0.029 0.000 2.073 49 N HA -0.235 4.505 4.740 -0.000 0.000 0.199 49 N C 1.566 177.089 175.510 0.021 0.000 1.023 49 N CA 1.681 54.746 53.050 0.024 0.000 0.880 49 N CB -0.670 37.834 38.487 0.028 0.000 1.052 49 N HN 0.332 nan 8.380 nan 0.000 0.449 50 L N 1.375 122.612 121.223 0.023 0.000 2.093 50 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 50 L C 2.110 178.983 176.870 0.005 0.000 1.085 50 L CA 1.476 56.326 54.840 0.017 0.000 0.755 50 L CB -0.131 41.940 42.059 0.019 0.000 0.904 50 L HN 0.101 nan 8.230 nan 0.000 0.435 51 R N -0.501 119.997 120.500 -0.003 0.000 2.148 51 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 51 R C 1.831 178.132 176.300 0.002 0.000 1.088 51 R CA 0.959 57.052 56.100 -0.011 0.000 0.985 51 R CB -0.729 29.558 30.300 -0.021 0.000 0.880 51 R HN 0.479 nan 8.270 nan 0.000 0.451 52 N N 0.957 119.661 118.700 0.007 0.000 2.039 52 N HA -0.117 4.623 4.740 -0.000 0.000 0.193 52 N C 2.037 177.554 175.510 0.012 0.000 1.044 52 N CA 1.112 54.168 53.050 0.010 0.000 0.847 52 N CB -0.673 37.820 38.487 0.011 0.000 1.030 52 N HN -0.066 nan 8.380 nan 0.000 0.422 53 V N 2.113 122.035 119.914 0.013 0.000 2.317 53 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 53 V C 2.356 178.460 176.094 0.017 0.000 1.065 53 V CA 1.657 63.966 62.300 0.015 0.000 1.049 53 V CB -0.550 31.283 31.823 0.017 0.000 0.651 53 V HN 0.300 nan 8.190 nan 0.000 0.450 54 M N -0.704 118.906 119.600 0.016 0.000 2.067 54 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 54 M C 2.540 178.854 176.300 0.024 0.000 1.069 54 M CA 2.217 57.530 55.300 0.022 0.000 1.117 54 M CB -0.637 31.976 32.600 0.021 0.000 1.334 54 M HN 0.372 nan 8.290 nan 0.000 0.407 55 S N 0.559 116.271 115.700 0.020 0.000 2.353 55 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 55 S C 1.720 176.330 174.600 0.016 0.000 1.035 55 S CA 1.508 59.719 58.200 0.019 0.000 1.025 55 S CB -0.152 63.057 63.200 0.014 0.000 0.902 55 S HN 0.354 nan 8.310 nan 0.000 0.440 56 K N 0.258 120.666 120.400 0.014 0.000 2.574 56 K HA -0.021 4.299 4.320 -0.000 0.000 0.193 56 K C 1.572 178.181 176.600 0.014 0.000 1.035 56 K CA 1.356 57.651 56.287 0.013 0.000 0.982 56 K CB -0.024 32.484 32.500 0.012 0.000 0.795 56 K HN 0.661 nan 8.250 nan 0.000 0.491 57 T N -6.063 108.501 114.554 0.017 0.000 3.028 57 T HA 0.198 4.548 4.350 -0.000 0.000 0.262 57 T C 1.368 176.080 174.700 0.020 0.000 0.916 57 T CA 0.400 62.511 62.100 0.018 0.000 0.873 57 T CB 0.794 69.674 68.868 0.019 0.000 1.232 57 T HN 0.178 nan 8.240 nan 0.000 0.529 58 G N 2.077 110.890 108.800 0.022 0.000 2.179 58 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 58 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 58 G C 0.008 174.926 174.900 0.030 0.000 0.977 58 G CA 0.365 45.480 45.100 0.025 0.000 0.641 58 G HN 0.749 nan 8.290 nan 0.000 0.533 59 K N 1.299 121.718 120.400 0.031 0.000 2.355 59 K HA 0.442 4.762 4.320 -0.000 0.000 0.270 59 K C 0.569 177.197 176.600 0.048 0.000 1.003 59 K CA 0.837 57.146 56.287 0.036 0.000 0.957 59 K CB 0.403 32.923 32.500 0.032 0.000 0.939 59 K HN 0.269 nan 8.250 nan 0.000 0.482 60 T N 0.002 114.590 114.554 0.056 0.000 2.925 60 T HA 0.712 5.062 4.350 -0.000 0.000 0.285 60 T C -0.566 174.176 174.700 0.071 0.000 1.021 60 T CA -1.062 61.087 62.100 0.081 0.000 1.042 60 T CB 1.813 70.743 68.868 0.102 0.000 1.037 60 T HN 0.643 nan 8.240 nan 0.000 0.481 61 A N 0.699 123.559 122.820 0.067 0.000 2.606 61 A HA 0.917 5.237 4.320 -0.000 0.000 0.293 61 A C -0.891 176.710 177.584 0.029 0.000 1.082 61 A CA -0.871 51.197 52.037 0.051 0.000 0.685 61 A CB 1.129 20.146 19.000 0.029 0.000 1.284 61 A HN 1.242 nan 8.150 nan 0.000 0.408 62 A N 0.178 123.039 122.820 0.067 0.000 2.313 62 A HA 0.889 5.209 4.320 -0.000 0.000 0.323 62 A C -0.722 176.897 177.584 0.059 0.000 1.133 62 A CA -0.557 51.508 52.037 0.048 0.000 0.847 62 A CB 0.659 19.788 19.000 0.216 0.000 1.308 62 A HN 0.831 nan 8.150 nan 0.000 0.475 63 I N 0.680 121.267 120.570 0.029 0.000 2.466 63 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 63 I C -0.979 175.218 176.117 0.134 0.000 1.026 63 I CA -0.304 61.035 61.300 0.064 0.000 1.078 63 I CB 1.760 39.759 38.000 -0.002 0.000 1.249 63 I HN 0.574 nan 8.210 nan 0.000 0.429 64 L N 7.243 128.576 121.223 0.184 0.000 2.356 64 L HA 0.580 4.920 4.340 -0.000 0.000 0.277 64 L C -1.429 175.540 176.870 0.165 0.000 0.996 64 L CA -0.635 54.339 54.840 0.224 0.000 0.822 64 L CB 1.933 44.129 42.059 0.228 0.000 1.256 64 L HN 0.583 nan 8.230 nan 0.000 0.413 65 L N 4.907 126.203 121.223 0.121 0.000 2.260 65 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 65 L C -0.748 176.156 176.870 0.057 0.000 1.057 65 L CA -0.217 54.659 54.840 0.059 0.000 0.811 65 L CB 0.727 42.719 42.059 -0.112 0.000 1.184 65 L HN 0.609 nan 8.230 nan 0.000 0.429 66 D N 3.801 124.278 120.400 0.129 0.000 2.412 66 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 66 D C -0.031 176.331 176.300 0.103 0.000 1.093 66 D CA -0.171 53.893 54.000 0.106 0.000 0.850 66 D CB 1.203 42.073 40.800 0.117 0.000 1.046 66 D HN 0.589 nan 8.370 nan 0.000 0.507 67 T N 0.773 115.348 114.554 0.035 0.000 2.900 67 T HA 0.054 4.404 4.350 -0.000 0.000 0.307 67 T C 1.275 176.000 174.700 0.043 0.000 1.065 67 T CA -0.376 61.737 62.100 0.021 0.000 1.105 67 T CB 1.854 70.715 68.868 -0.012 0.000 0.979 67 T HN 0.308 nan 8.240 nan 0.000 0.544 68 K N 1.670 122.092 120.400 0.037 0.000 2.031 68 K HA 0.140 4.460 4.320 -0.000 0.000 0.205 68 K C 1.169 177.755 176.600 -0.024 0.000 1.049 68 K CA 1.124 57.407 56.287 -0.008 0.000 0.939 68 K CB -0.976 31.509 32.500 -0.026 0.000 0.717 68 K HN 1.165 nan 8.250 nan 0.000 0.438 69 G N 1.475 110.266 108.800 -0.016 0.000 2.758 69 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 69 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 69 G C -2.796 172.074 174.900 -0.052 0.000 1.389 69 G CA -0.536 44.557 45.100 -0.012 0.000 0.845 69 G HN 0.165 nan 8.290 nan 0.000 0.572 70 P HA 0.385 nan 4.420 nan 0.000 0.271 70 P C -0.270 176.888 177.300 -0.236 0.000 1.218 70 P CA 0.337 63.386 63.100 -0.085 0.000 0.780 70 P CB 1.065 32.762 31.700 -0.004 0.000 0.901 71 E N 1.099 121.164 120.200 -0.226 0.000 2.408 71 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 71 E C -0.700 175.762 176.600 -0.229 0.000 0.935 71 E CA -0.855 55.373 56.400 -0.287 0.000 0.775 71 E CB 1.913 31.486 29.700 -0.211 0.000 1.277 71 E HN 0.342 nan 8.360 nan 0.000 0.455 72 I N 2.151 122.585 120.570 -0.227 0.000 2.339 72 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 72 I C -0.090 175.956 176.117 -0.118 0.000 0.994 72 I CA -0.530 60.690 61.300 -0.135 0.000 1.191 72 I CB 0.891 38.845 38.000 -0.077 0.000 1.343 72 I HN 0.222 nan 8.210 nan 0.000 0.458 73 R N 2.952 123.396 120.500 -0.093 0.000 2.854 73 R HA 0.563 4.903 4.340 -0.000 0.000 0.271 73 R C -0.373 175.888 176.300 -0.065 0.000 0.994 73 R CA -0.904 55.152 56.100 -0.072 0.000 0.945 73 R CB 1.879 32.149 30.300 -0.050 0.000 1.194 73 R HN 0.649 nan 8.270 nan 0.000 0.476 74 T N -1.072 113.472 114.554 -0.016 0.000 2.860 74 T HA 0.357 4.707 4.350 -0.000 0.000 0.299 74 T C 0.618 175.333 174.700 0.026 0.000 1.045 74 T CA -0.327 61.799 62.100 0.043 0.000 1.071 74 T CB 0.854 69.796 68.868 0.122 0.000 0.985 74 T HN 0.412 nan 8.240 nan 0.000 0.537 75 M N 0.389 120.011 119.600 0.036 0.000 2.323 75 M HA 0.447 4.927 4.480 -0.000 0.000 0.217 75 M C 0.352 176.668 176.300 0.026 0.000 0.710 75 M CA -0.961 54.352 55.300 0.021 0.000 1.815 75 M CB 0.678 33.285 32.600 0.010 0.000 1.133 75 M HN 0.483 nan 8.290 nan 0.000 0.892 76 K N 1.104 121.515 120.400 0.017 0.000 2.185 76 K HA 0.515 4.835 4.320 -0.000 0.000 0.271 76 K C -1.273 175.337 176.600 0.018 0.000 1.013 76 K CA -0.147 56.149 56.287 0.015 0.000 0.943 76 K CB 0.655 33.160 32.500 0.007 0.000 0.998 76 K HN 0.318 nan 8.250 nan 0.000 0.468 77 L N 1.850 123.084 121.223 0.019 0.000 2.344 77 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 77 L C 0.293 177.169 176.870 0.010 0.000 1.035 77 L CA -0.830 54.022 54.840 0.019 0.000 0.807 77 L CB 1.391 43.467 42.059 0.028 0.000 1.237 77 L HN 0.598 nan 8.230 nan 0.000 0.442 78 E N 0.888 121.091 120.200 0.006 0.000 2.608 78 E HA -0.030 4.320 4.350 -0.000 0.000 0.259 78 E C 1.054 177.656 176.600 0.003 0.000 0.951 78 E CA 1.155 57.556 56.400 0.001 0.000 0.945 78 E CB 0.316 30.015 29.700 -0.002 0.000 0.916 78 E HN 0.826 nan 8.360 nan 0.000 0.477 79 G N 3.216 112.017 108.800 0.001 0.000 2.243 79 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.276 79 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.276 79 G C 0.899 175.800 174.900 0.002 0.000 0.997 79 G CA 0.738 45.838 45.100 0.001 0.000 0.693 79 G HN 1.338 nan 8.290 nan 0.000 0.529 80 G N -1.321 107.481 108.800 0.004 0.000 2.249 80 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.273 80 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.273 80 G C 0.031 174.935 174.900 0.006 0.000 1.036 80 G CA 0.508 45.611 45.100 0.005 0.000 0.824 80 G HN 0.968 nan 8.290 nan 0.000 0.504 81 N N 0.728 119.433 118.700 0.008 0.000 2.399 81 N HA 0.367 5.107 4.740 -0.000 0.000 0.295 81 N C -0.580 174.938 175.510 0.013 0.000 1.048 81 N CA -0.653 52.402 53.050 0.008 0.000 0.886 81 N CB 1.150 39.641 38.487 0.007 0.000 1.185 81 N HN 0.100 nan 8.380 nan 0.000 0.487 82 D N 0.648 121.055 120.400 0.012 0.000 2.533 82 D HA 0.041 4.681 4.640 -0.000 0.000 0.236 82 D C 0.221 176.531 176.300 0.017 0.000 1.137 82 D CA 0.259 54.267 54.000 0.014 0.000 0.867 82 D CB 0.641 41.446 40.800 0.008 0.000 1.170 82 D HN 0.216 nan 8.370 nan 0.000 0.474 83 V N -0.196 119.733 119.914 0.025 0.000 2.435 83 V HA 0.541 4.661 4.120 -0.000 0.000 0.290 83 V C 0.010 176.116 176.094 0.020 0.000 1.030 83 V CA -0.820 61.499 62.300 0.032 0.000 0.881 83 V CB 1.934 33.793 31.823 0.060 0.000 0.983 83 V HN 0.343 nan 8.190 nan 0.000 0.445 84 S N 6.664 122.373 115.700 0.015 0.000 2.416 84 S HA 0.565 5.035 4.470 -0.000 0.000 0.287 84 S C -0.084 174.518 174.600 0.003 0.000 1.139 84 S CA -0.465 57.736 58.200 0.002 0.000 1.058 84 S CB 0.174 63.376 63.200 0.002 0.000 0.967 84 S HN 0.670 nan 8.310 nan 0.000 0.495 85 L N 2.909 124.117 121.223 -0.025 0.000 2.350 85 L HA 0.575 4.915 4.340 -0.000 0.000 0.275 85 L C 0.575 177.429 176.870 -0.026 0.000 1.099 85 L CA -0.675 54.144 54.840 -0.035 0.000 0.808 85 L CB 0.388 42.355 42.059 -0.152 0.000 1.149 85 L HN 0.571 nan 8.230 nan 0.000 0.442 86 K N 1.821 122.220 120.400 -0.003 0.000 2.259 86 K HA 0.802 5.122 4.320 -0.000 0.000 0.252 86 K C -0.158 176.444 176.600 0.004 0.000 0.936 86 K CA -0.258 56.031 56.287 0.002 0.000 0.810 86 K CB 1.693 34.200 32.500 0.012 0.000 1.143 86 K HN 0.767 nan 8.250 nan 0.000 0.427 87 A N 0.183 123.004 122.820 0.002 0.000 2.498 87 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 87 A C 1.761 179.354 177.584 0.015 0.000 1.068 87 A CA 1.217 53.258 52.037 0.005 0.000 0.766 87 A CB -0.724 18.278 19.000 0.004 0.000 1.003 87 A HN 2.519 nan 8.150 nan 0.000 0.497 88 G N 0.570 109.382 108.800 0.020 0.000 2.304 88 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.252 88 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.252 88 G C 0.555 175.475 174.900 0.033 0.000 1.014 88 G CA 0.896 46.011 45.100 0.025 0.000 0.619 88 G HN 1.665 nan 8.290 nan 0.000 0.525 89 Q N 0.960 120.783 119.800 0.038 0.000 2.479 89 Q HA 0.484 4.824 4.340 -0.000 0.000 0.267 89 Q C -0.148 175.895 176.000 0.072 0.000 1.071 89 Q CA 0.808 56.642 55.803 0.052 0.000 0.935 89 Q CB 0.359 29.134 28.738 0.063 0.000 1.295 89 Q HN 0.218 nan 8.270 nan 0.000 0.476 90 T N 2.390 116.985 114.554 0.067 0.000 2.889 90 T HA 0.503 4.853 4.350 -0.000 0.000 0.291 90 T C -1.286 173.484 174.700 0.117 0.000 0.995 90 T CA -0.196 61.949 62.100 0.074 0.000 1.092 90 T CB 0.216 69.102 68.868 0.030 0.000 0.954 90 T HN 0.459 nan 8.240 nan 0.000 0.506 91 F N 1.444 121.359 119.950 -0.059 0.000 2.596 91 F HA 0.461 4.988 4.527 -0.000 0.000 0.311 91 F C -0.651 175.045 175.800 -0.173 0.000 1.116 91 F CA -0.467 57.452 58.000 -0.136 0.000 0.957 91 F CB 1.911 40.806 39.000 -0.175 0.000 1.250 91 F HN 0.450 nan 8.300 nan 0.000 0.444 92 T N 5.716 119.864 114.554 -0.677 0.000 2.841 92 T HA 0.544 4.894 4.350 -0.000 0.000 0.283 92 T C -1.093 173.284 174.700 -0.538 0.000 1.000 92 T CA -0.318 61.568 62.100 -0.357 0.000 0.977 92 T CB 0.906 69.639 68.868 -0.226 0.000 0.979 92 T HN 0.263 nan 8.240 nan 0.000 0.446 93 F N 1.443 121.442 119.950 0.082 0.000 2.399 93 F HA 0.586 5.113 4.527 -0.000 0.000 0.334 93 F C 1.053 176.879 175.800 0.045 0.000 1.097 93 F CA -0.643 57.411 58.000 0.089 0.000 1.076 93 F CB 1.652 40.781 39.000 0.216 0.000 1.162 93 F HN 0.342 nan 8.300 nan 0.000 0.495 94 T N 0.994 115.641 114.554 0.154 0.000 2.841 94 T HA 0.181 4.531 4.350 -0.000 0.000 0.283 94 T C 0.769 175.500 174.700 0.051 0.000 1.000 94 T CA -0.397 61.755 62.100 0.086 0.000 0.977 94 T CB 1.439 70.318 68.868 0.018 0.000 0.979 94 T HN 0.717 nan 8.240 nan 0.000 0.446 95 T N 2.977 117.562 114.554 0.052 0.000 3.098 95 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 95 T C 0.486 175.187 174.700 0.002 0.000 1.145 95 T CA 0.562 62.671 62.100 0.014 0.000 1.092 95 T CB -0.306 68.573 68.868 0.018 0.000 0.908 95 T HN 0.485 nan 8.240 nan 0.000 0.526 96 D N 1.662 122.066 120.400 0.006 0.000 2.402 96 D HA 0.102 4.742 4.640 -0.000 0.000 0.235 96 D C 0.597 176.896 176.300 -0.002 0.000 1.226 96 D CA -0.032 53.968 54.000 0.000 0.000 0.918 96 D CB 0.749 41.547 40.800 -0.002 0.000 1.043 96 D HN 0.257 nan 8.370 nan 0.000 0.506 97 K N 0.751 121.150 120.400 -0.002 0.000 2.611 97 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 97 K C 1.330 177.929 176.600 -0.002 0.000 1.026 97 K CA 0.164 56.451 56.287 -0.001 0.000 1.063 97 K CB 0.341 32.842 32.500 0.002 0.000 0.839 97 K HN 0.138 nan 8.250 nan 0.000 0.505 98 S N -0.143 115.555 115.700 -0.003 0.000 2.492 98 S HA 0.050 4.520 4.470 -0.000 0.000 0.218 98 S C 0.776 175.372 174.600 -0.007 0.000 1.016 98 S CA -0.336 57.861 58.200 -0.004 0.000 0.916 98 S CB 0.274 63.471 63.200 -0.005 0.000 0.791 98 S HN -0.031 nan 8.310 nan 0.000 0.513 99 V N 2.923 122.831 119.914 -0.010 0.000 2.715 99 V HA 0.230 4.350 4.120 -0.000 0.000 0.299 99 V C -0.260 175.826 176.094 -0.014 0.000 1.054 99 V CA -0.192 62.099 62.300 -0.016 0.000 1.077 99 V CB 0.482 32.291 31.823 -0.024 0.000 0.972 99 V HN 0.218 nan 8.190 nan 0.000 0.484 100 I N 3.759 124.319 120.570 -0.016 0.000 2.355 100 I HA 0.581 4.751 4.170 -0.000 0.000 0.288 100 I C 0.812 176.917 176.117 -0.020 0.000 0.999 100 I CA 0.541 61.834 61.300 -0.012 0.000 1.163 100 I CB 1.341 39.336 38.000 -0.008 0.000 1.316 100 I HN 0.727 nan 8.210 nan 0.000 0.454 101 G N 4.321 113.113 108.800 -0.015 0.000 2.510 101 G HA2 0.664 4.624 3.960 -0.000 0.000 0.280 101 G HA3 0.664 4.624 3.960 -0.000 0.000 0.280 101 G C -0.522 174.370 174.900 -0.015 0.000 1.386 101 G CA -0.231 44.850 45.100 -0.031 0.000 1.047 101 G HN 0.716 nan 8.290 nan 0.000 0.527 102 N N -4.100 114.589 118.700 -0.018 0.000 3.465 102 N HA 0.118 4.858 4.740 -0.000 0.000 0.332 102 N C 0.713 176.252 175.510 0.048 0.000 1.492 102 N CA 0.200 53.256 53.050 0.010 0.000 0.867 102 N CB 0.406 38.884 38.487 -0.015 0.000 1.899 102 N HN 0.531 nan 8.380 nan 0.000 0.502 103 S N -1.477 114.260 115.700 0.062 0.000 2.547 103 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 103 S C 0.229 174.918 174.600 0.148 0.000 0.980 103 S CA 1.035 59.320 58.200 0.142 0.000 0.941 103 S CB -0.608 62.641 63.200 0.082 0.000 0.763 103 S HN 0.584 nan 8.310 nan 0.000 0.532 104 E N -0.278 119.871 120.200 -0.086 0.000 2.514 104 E HA 0.354 4.704 4.350 -0.000 0.000 0.215 104 E C 0.232 176.324 176.600 -0.847 0.000 0.946 104 E CA -0.023 56.188 56.400 -0.316 0.000 1.038 104 E CB 0.263 29.860 29.700 -0.172 0.000 1.069 104 E HN 0.464 nan 8.360 nan 0.000 0.503 105 M N 1.549 120.686 119.600 -0.772 0.000 2.421 105 M HA 0.335 4.815 4.480 -0.000 0.000 0.287 105 M C -1.391 174.636 176.300 -0.455 0.000 1.183 105 M CA -0.799 54.059 55.300 -0.737 0.000 0.916 105 M CB 3.054 35.441 32.600 -0.356 0.000 1.701 105 M HN -0.132 nan 8.290 nan 0.000 0.470 106 V N 0.196 119.913 119.914 -0.329 0.000 2.962 106 V HA 0.950 5.070 4.120 -0.000 0.000 0.313 106 V C -0.164 175.948 176.094 0.030 0.000 1.099 106 V CA -1.137 61.151 62.300 -0.021 0.000 0.971 106 V CB 1.417 33.349 31.823 0.181 0.000 1.028 106 V HN 0.943 nan 8.190 nan 0.000 0.430 107 A N 2.088 124.928 122.820 0.034 0.000 2.316 107 A HA 0.846 5.166 4.320 -0.000 0.000 0.284 107 A C 0.011 177.609 177.584 0.024 0.000 1.115 107 A CA -0.184 51.870 52.037 0.028 0.000 0.812 107 A CB 1.002 20.005 19.000 0.006 0.000 1.064 107 A HN 1.987 nan 8.150 nan 0.000 0.489 108 V N -0.311 119.576 119.914 -0.045 0.000 2.815 108 V HA 0.656 4.776 4.120 -0.000 0.000 0.314 108 V C 1.016 177.069 176.094 -0.068 0.000 1.064 108 V CA 0.133 62.354 62.300 -0.131 0.000 0.952 108 V CB 0.907 32.448 31.823 -0.471 0.000 1.020 108 V HN 1.167 nan 8.190 nan 0.000 0.439 109 T N -1.504 113.026 114.554 -0.040 0.000 3.035 109 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 109 T C 0.532 175.286 174.700 0.090 0.000 1.109 109 T CA 1.125 63.233 62.100 0.013 0.000 1.119 109 T CB -0.410 68.461 68.868 0.004 0.000 0.900 109 T HN 0.830 nan 8.240 nan 0.000 0.503 110 Y N 2.169 122.421 120.300 -0.080 0.000 2.454 110 Y HA 0.423 4.973 4.550 -0.000 0.000 0.345 110 Y C 1.066 176.987 175.900 0.036 0.000 0.970 110 Y CA -2.381 55.712 58.100 -0.012 0.000 1.204 110 Y CB 0.879 39.349 38.460 0.017 0.000 1.122 110 Y HN 0.178 nan 8.280 nan 0.000 0.514 111 E N 2.974 123.108 120.200 -0.110 0.000 2.265 111 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 111 E C 1.391 177.745 176.600 -0.409 0.000 0.996 111 E CA 1.020 57.304 56.400 -0.193 0.000 0.832 111 E CB -0.006 29.654 29.700 -0.065 0.000 0.756 111 E HN 1.011 nan 8.360 nan 0.000 0.491 112 G N -0.281 107.916 108.800 -1.005 0.000 3.181 112 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 112 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 112 G C 0.839 175.336 174.900 -0.671 0.000 1.182 112 G CA -0.430 44.182 45.100 -0.813 0.000 0.791 112 G HN 0.204 nan 8.290 nan 0.000 0.537 113 F N 2.947 122.434 119.950 -0.771 0.000 2.069 113 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 113 F C 2.989 178.724 175.800 -0.108 0.000 1.113 113 F CA 2.210 60.066 58.000 -0.241 0.000 1.214 113 F CB -0.534 38.399 39.000 -0.111 0.000 0.978 113 F HN 0.246 nan 8.300 nan 0.000 0.474 114 T N -3.395 111.173 114.554 0.023 0.000 2.788 114 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 114 T C 1.905 176.566 174.700 -0.064 0.000 1.044 114 T CA 1.832 63.916 62.100 -0.026 0.000 1.139 114 T CB -1.159 67.720 68.868 0.018 0.000 0.867 114 T HN 0.262 nan 8.240 nan 0.000 0.454 115 T N 2.028 116.539 114.554 -0.071 0.000 2.701 115 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 115 T C 1.703 176.378 174.700 -0.042 0.000 1.040 115 T CA 1.516 63.587 62.100 -0.048 0.000 1.147 115 T CB -0.584 68.260 68.868 -0.041 0.000 0.865 115 T HN 0.367 nan 8.240 nan 0.000 0.426 116 D N 0.268 120.646 120.400 -0.036 0.000 2.224 116 D HA 0.072 4.712 4.640 -0.000 0.000 0.205 116 D C 0.537 176.801 176.300 -0.060 0.000 0.965 116 D CA 0.280 54.282 54.000 0.003 0.000 0.852 116 D CB -0.235 40.637 40.800 0.120 0.000 0.947 116 D HN 0.132 nan 8.370 nan 0.000 0.494 117 L N 0.294 121.427 121.223 -0.151 0.000 2.439 117 L HA 0.312 4.652 4.340 -0.000 0.000 0.261 117 L C 0.219 177.021 176.870 -0.113 0.000 1.153 117 L CA -0.010 54.711 54.840 -0.199 0.000 0.808 117 L CB 1.268 43.084 42.059 -0.405 0.000 1.126 117 L HN -0.254 nan 8.230 nan 0.000 0.460 118 S N 0.251 115.898 115.700 -0.089 0.000 2.548 118 S HA 0.483 4.953 4.470 -0.000 0.000 0.286 118 S C -0.849 173.730 174.600 -0.035 0.000 1.098 118 S CA -0.686 57.484 58.200 -0.050 0.000 0.930 118 S CB 2.040 65.220 63.200 -0.032 0.000 1.070 118 S HN 0.266 nan 8.310 nan 0.000 0.480 119 V N 2.697 122.600 119.914 -0.017 0.000 2.539 119 V HA 0.327 4.447 4.120 -0.000 0.000 0.300 119 V C 1.459 177.553 176.094 -0.000 0.000 1.019 119 V CA 1.957 64.255 62.300 -0.002 0.000 1.160 119 V CB -0.200 31.625 31.823 0.004 0.000 0.901 119 V HN 1.351 nan 8.190 nan 0.000 0.481 120 G N 3.801 112.605 108.800 0.007 0.000 2.218 120 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 120 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 120 G C 0.179 175.082 174.900 0.006 0.000 0.994 120 G CA 0.063 45.169 45.100 0.009 0.000 0.637 120 G HN 0.641 nan 8.290 nan 0.000 0.505 121 N N 0.948 119.644 118.700 -0.007 0.000 2.453 121 N HA 0.411 5.151 4.740 -0.000 0.000 0.253 121 N C -0.204 175.307 175.510 0.001 0.000 1.252 121 N CA 0.779 53.820 53.050 -0.016 0.000 0.917 121 N CB 0.434 38.890 38.487 -0.051 0.000 1.117 121 N HN 0.138 nan 8.380 nan 0.000 0.442 122 T N 1.419 115.976 114.554 0.005 0.000 2.767 122 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 122 T C -0.192 174.521 174.700 0.022 0.000 0.963 122 T CA -0.531 61.584 62.100 0.025 0.000 1.019 122 T CB 1.024 69.908 68.868 0.026 0.000 0.923 122 T HN 0.044 nan 8.240 nan 0.000 0.468 123 V N 5.457 125.405 119.914 0.056 0.000 2.398 123 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 123 V C -0.185 175.960 176.094 0.086 0.000 1.026 123 V CA -0.817 61.522 62.300 0.065 0.000 0.868 123 V CB 1.261 33.152 31.823 0.114 0.000 0.982 123 V HN 0.700 nan 8.190 nan 0.000 0.443 124 L N 5.238 126.497 121.223 0.061 0.000 2.334 124 L HA 0.787 5.127 4.340 -0.000 0.000 0.276 124 L C -0.730 176.171 176.870 0.052 0.000 1.014 124 L CA -0.859 54.014 54.840 0.054 0.000 0.815 124 L CB 2.005 44.085 42.059 0.035 0.000 1.268 124 L HN 0.316 nan 8.230 nan 0.000 0.428 125 V N 0.690 120.636 119.914 0.054 0.000 2.735 125 V HA 0.334 4.454 4.120 -0.000 0.000 0.310 125 V C -0.473 175.633 176.094 0.020 0.000 1.061 125 V CA -0.440 61.890 62.300 0.050 0.000 0.913 125 V CB 1.732 33.614 31.823 0.098 0.000 1.005 125 V HN 0.870 nan 8.190 nan 0.000 0.428 126 D N 3.507 123.914 120.400 0.012 0.000 2.990 126 D HA -0.153 4.487 4.640 -0.000 0.000 0.245 126 D C 0.185 176.486 176.300 0.002 0.000 1.120 126 D CA 0.949 54.951 54.000 0.004 0.000 0.838 126 D CB -0.838 39.964 40.800 0.003 0.000 1.000 126 D HN 0.893 nan 8.370 nan 0.000 0.420 127 D N 0.097 120.496 120.400 -0.001 0.000 2.704 127 D HA -0.155 4.485 4.640 -0.000 0.000 0.232 127 D C 1.319 177.622 176.300 0.005 0.000 1.183 127 D CA 2.091 56.092 54.000 0.000 0.000 0.647 127 D CB -1.425 39.375 40.800 0.000 0.000 1.013 127 D HN 1.038 nan 8.370 nan 0.000 0.415 128 G N -0.976 107.829 108.800 0.008 0.000 2.162 128 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.260 128 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.260 128 G C 0.974 175.878 174.900 0.007 0.000 0.976 128 G CA 0.715 45.821 45.100 0.011 0.000 0.655 128 G HN 0.508 nan 8.290 nan 0.000 0.533 129 L N 0.280 121.504 121.223 0.003 0.000 1.970 129 L HA 0.297 4.637 4.340 -0.000 0.000 0.212 129 L C 1.409 178.274 176.870 -0.009 0.000 1.071 129 L CA 2.060 56.898 54.840 -0.003 0.000 0.751 129 L CB -0.076 41.979 42.059 -0.006 0.000 0.889 129 L HN 0.414 nan 8.230 nan 0.000 0.432 130 I N -0.004 120.558 120.570 -0.013 0.000 2.378 130 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 130 I C 0.339 176.456 176.117 0.001 0.000 0.992 130 I CA -0.405 60.880 61.300 -0.024 0.000 1.154 130 I CB 1.251 39.209 38.000 -0.071 0.000 1.315 130 I HN 0.123 nan 8.210 nan 0.000 0.448 131 G N 6.204 115.008 108.800 0.007 0.000 2.417 131 G HA2 0.880 4.840 3.960 -0.000 0.000 0.334 131 G HA3 0.880 4.840 3.960 -0.000 0.000 0.334 131 G C -0.844 174.080 174.900 0.039 0.000 1.150 131 G CA -0.634 44.484 45.100 0.030 0.000 0.923 131 G HN 0.497 nan 8.290 nan 0.000 0.485 132 M N 0.277 119.922 119.600 0.075 0.000 2.520 132 M HA 0.367 4.847 4.480 -0.000 0.000 0.280 132 M C -1.143 175.220 176.300 0.105 0.000 1.232 132 M CA -0.672 54.688 55.300 0.101 0.000 0.892 132 M CB 3.244 35.950 32.600 0.177 0.000 1.728 132 M HN 0.535 nan 8.290 nan 0.000 0.475 133 E N 1.715 121.973 120.200 0.096 0.000 2.187 133 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 133 E C -1.487 175.168 176.600 0.091 0.000 0.896 133 E CA -0.658 55.789 56.400 0.078 0.000 0.766 133 E CB 2.142 31.873 29.700 0.051 0.000 1.142 133 E HN 0.550 nan 8.360 nan 0.000 0.408 134 V N 4.129 124.088 119.914 0.075 0.000 2.529 134 V HA -0.001 4.119 4.120 -0.000 0.000 0.292 134 V C 1.441 177.568 176.094 0.055 0.000 1.028 134 V CA 0.904 63.249 62.300 0.074 0.000 1.074 134 V CB 0.837 32.676 31.823 0.027 0.000 0.958 134 V HN 0.919 nan 8.190 nan 0.000 0.481 135 T N 1.081 115.673 114.554 0.063 0.000 3.000 135 T HA 0.604 4.954 4.350 -0.000 0.000 0.248 135 T C 0.427 175.149 174.700 0.036 0.000 1.034 135 T CA 0.501 62.628 62.100 0.045 0.000 1.060 135 T CB 0.546 69.442 68.868 0.047 0.000 0.983 135 T HN 1.161 nan 8.240 nan 0.000 0.482 136 A N 0.235 123.081 122.820 0.043 0.000 2.597 136 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 136 A C -2.004 175.604 177.584 0.040 0.000 1.057 136 A CA -0.964 51.093 52.037 0.032 0.000 0.674 136 A CB 0.826 19.842 19.000 0.026 0.000 1.278 136 A HN 0.356 nan 8.150 nan 0.000 0.416 137 I N 1.012 121.598 120.570 0.027 0.000 2.447 137 I HA 0.463 4.633 4.170 -0.000 0.000 0.287 137 I C -0.733 175.398 176.117 0.023 0.000 1.023 137 I CA -0.034 61.284 61.300 0.030 0.000 1.083 137 I CB 2.115 40.120 38.000 0.010 0.000 1.245 137 I HN 0.697 nan 8.210 nan 0.000 0.434 138 E N 4.476 124.694 120.200 0.029 0.000 2.274 138 E HA 0.532 4.882 4.350 -0.000 0.000 0.269 138 E C 0.285 176.898 176.600 0.021 0.000 0.891 138 E CA -0.461 55.950 56.400 0.020 0.000 0.784 138 E CB 2.229 31.939 29.700 0.016 0.000 1.225 138 E HN 0.803 nan 8.360 nan 0.000 0.412 139 G N 4.261 113.069 108.800 0.014 0.000 2.596 139 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.304 139 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.304 139 G C 0.376 175.288 174.900 0.020 0.000 1.189 139 G CA 0.650 45.758 45.100 0.013 0.000 0.986 139 G HN 0.710 nan 8.290 nan 0.000 0.548 140 N N 1.132 119.847 118.700 0.025 0.000 2.321 140 N HA 0.311 5.051 4.740 -0.000 0.000 0.242 140 N C 0.009 175.560 175.510 0.069 0.000 1.141 140 N CA 0.301 53.373 53.050 0.037 0.000 0.864 140 N CB 0.723 39.224 38.487 0.023 0.000 1.100 140 N HN 0.675 nan 8.380 nan 0.000 0.510 141 K N -0.142 120.302 120.400 0.073 0.000 2.397 141 K HA 0.468 4.788 4.320 -0.000 0.000 0.253 141 K C -1.290 175.390 176.600 0.134 0.000 0.932 141 K CA -0.692 55.656 56.287 0.102 0.000 0.795 141 K CB 2.845 35.376 32.500 0.050 0.000 1.159 141 K HN -0.166 nan 8.250 nan 0.000 0.424 142 V N 5.496 125.551 119.914 0.234 0.000 2.275 142 V HA 0.308 4.428 4.120 -0.000 0.000 0.272 142 V C -0.390 175.861 176.094 0.262 0.000 1.028 142 V CA -0.728 61.717 62.300 0.242 0.000 0.810 142 V CB 0.457 32.460 31.823 0.301 0.000 1.043 142 V HN 0.619 nan 8.190 nan 0.000 0.453 143 I N 4.579 125.237 120.570 0.145 0.000 2.471 143 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 143 I C 0.369 176.568 176.117 0.136 0.000 1.079 143 I CA 0.493 61.856 61.300 0.105 0.000 1.398 143 I CB 0.450 38.481 38.000 0.053 0.000 1.403 143 I HN 0.499 nan 8.210 nan 0.000 0.530 144 C N 4.852 124.249 119.300 0.161 0.000 2.822 144 C HA 0.563 5.023 4.460 -0.000 0.000 0.341 144 C C 0.013 175.087 174.990 0.140 0.000 1.301 144 C CA -1.007 58.123 59.018 0.187 0.000 1.706 144 C CB 1.918 29.841 27.740 0.305 0.000 2.178 144 C HN 0.681 nan 8.230 nan 0.000 0.481 145 K N 0.974 121.446 120.400 0.121 0.000 2.450 145 K HA 0.575 4.895 4.320 -0.000 0.000 0.257 145 K C -1.178 175.471 176.600 0.082 0.000 0.953 145 K CA -0.227 56.114 56.287 0.091 0.000 0.844 145 K CB 1.262 33.800 32.500 0.063 0.000 1.103 145 K HN 0.542 nan 8.250 nan 0.000 0.429 146 V N 6.181 126.136 119.914 0.067 0.000 2.655 146 V HA -0.006 4.114 4.120 -0.000 0.000 0.300 146 V C 1.384 177.488 176.094 0.018 0.000 1.044 146 V CA 0.245 62.557 62.300 0.020 0.000 1.095 146 V CB 0.977 32.786 31.823 -0.023 0.000 0.952 146 V HN 0.847 nan 8.190 nan 0.000 0.485 147 L N 4.039 125.269 121.223 0.012 0.000 2.513 147 L HA 0.240 4.580 4.340 -0.000 0.000 0.222 147 L C 0.764 177.637 176.870 0.005 0.000 1.096 147 L CA 0.376 55.224 54.840 0.014 0.000 0.857 147 L CB -0.004 42.067 42.059 0.020 0.000 1.026 147 L HN 0.936 nan 8.230 nan 0.000 0.469 148 N N -2.113 116.583 118.700 -0.006 0.000 2.823 148 N HA 0.130 4.870 4.740 -0.000 0.000 0.251 148 N C -1.414 174.084 175.510 -0.020 0.000 1.392 148 N CA -0.706 52.338 53.050 -0.009 0.000 0.864 148 N CB 0.689 39.172 38.487 -0.006 0.000 1.481 148 N HN -0.261 nan 8.380 nan 0.000 0.508 149 N N -0.968 117.722 118.700 -0.016 0.000 2.525 149 N HA 0.663 5.403 4.740 -0.000 0.000 0.271 149 N C 0.072 175.566 175.510 -0.027 0.000 1.194 149 N CA 0.518 53.555 53.050 -0.020 0.000 0.964 149 N CB 1.017 39.498 38.487 -0.011 0.000 1.126 149 N HN 0.813 nan 8.380 nan 0.000 0.452 150 G N 0.174 108.952 108.800 -0.036 0.000 2.442 150 G HA2 0.177 4.137 3.960 -0.000 0.000 0.296 150 G HA3 0.177 4.137 3.960 -0.000 0.000 0.296 150 G C -1.946 172.930 174.900 -0.040 0.000 1.564 150 G CA -0.794 44.284 45.100 -0.036 0.000 0.828 150 G HN 0.356 nan 8.290 nan 0.000 0.571 151 D N 0.957 121.342 120.400 -0.026 0.000 2.339 151 D HA 0.334 4.974 4.640 -0.000 0.000 0.241 151 D C 0.266 176.552 176.300 -0.023 0.000 1.183 151 D CA -0.212 53.777 54.000 -0.019 0.000 0.859 151 D CB 1.974 42.770 40.800 -0.008 0.000 1.067 151 D HN 0.308 nan 8.370 nan 0.000 0.484 152 L N 2.971 124.177 121.223 -0.028 0.000 2.325 152 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 152 L C 0.696 177.572 176.870 0.010 0.000 1.089 152 L CA -0.002 54.827 54.840 -0.019 0.000 0.836 152 L CB 0.455 42.492 42.059 -0.036 0.000 1.184 152 L HN 0.346 nan 8.230 nan 0.000 0.444 153 G N 4.236 113.043 108.800 0.010 0.000 2.535 153 G HA2 0.300 4.260 3.960 -0.000 0.000 0.282 153 G HA3 0.300 4.260 3.960 -0.000 0.000 0.282 153 G C -0.506 174.409 174.900 0.025 0.000 1.350 153 G CA -0.622 44.487 45.100 0.015 0.000 1.039 153 G HN 0.706 nan 8.290 nan 0.000 0.509 154 E N -0.154 120.059 120.200 0.021 0.000 2.314 154 E HA 0.128 4.478 4.350 -0.000 0.000 0.262 154 E C 0.228 176.839 176.600 0.018 0.000 1.093 154 E CA -0.511 55.903 56.400 0.023 0.000 0.908 154 E CB 0.774 30.485 29.700 0.017 0.000 1.091 154 E HN 0.674 nan 8.360 nan 0.000 0.425 155 N N 1.831 120.542 118.700 0.018 0.000 2.671 155 N HA -0.163 4.577 4.740 -0.000 0.000 0.261 155 N C -1.244 174.269 175.510 0.004 0.000 1.053 155 N CA 0.345 53.400 53.050 0.007 0.000 0.732 155 N CB -0.283 38.206 38.487 0.003 0.000 0.887 155 N HN 0.240 nan 8.380 nan 0.000 0.546 156 K N 0.653 121.058 120.400 0.010 0.000 2.203 156 K HA 0.465 4.785 4.320 -0.000 0.000 0.251 156 K C 0.658 177.252 176.600 -0.011 0.000 0.944 156 K CA -0.296 55.994 56.287 0.006 0.000 0.829 156 K CB 1.517 34.030 32.500 0.022 0.000 1.125 156 K HN 0.351 nan 8.250 nan 0.000 0.430 157 G N 0.471 109.258 108.800 -0.022 0.000 2.442 157 G HA2 0.379 4.339 3.960 -0.000 0.000 0.249 157 G HA3 0.379 4.339 3.960 -0.000 0.000 0.249 157 G C -0.633 174.247 174.900 -0.033 0.000 1.263 157 G CA -0.331 44.743 45.100 -0.044 0.000 0.846 157 G HN 0.218 nan 8.290 nan 0.000 0.555 158 V N 3.124 123.006 119.914 -0.053 0.000 2.540 158 V HA 0.383 4.503 4.120 -0.000 0.000 0.302 158 V C -0.374 175.707 176.094 -0.022 0.000 1.035 158 V CA -1.070 61.213 62.300 -0.029 0.000 0.873 158 V CB 1.783 33.575 31.823 -0.051 0.000 0.992 158 V HN 0.756 nan 8.190 nan 0.000 0.428 159 N N 4.393 123.098 118.700 0.009 0.000 2.314 159 N HA 0.468 5.208 4.740 -0.000 0.000 0.294 159 N C -1.557 173.982 175.510 0.048 0.000 1.029 159 N CA -0.668 52.396 53.050 0.024 0.000 0.845 159 N CB 2.526 41.027 38.487 0.023 0.000 1.321 159 N HN 0.303 nan 8.380 nan 0.000 0.481 160 L N 3.691 124.954 121.223 0.066 0.000 2.417 160 L HA 0.381 4.721 4.340 -0.000 0.000 0.258 160 L C -2.190 174.709 176.870 0.048 0.000 1.088 160 L CA -2.248 52.621 54.840 0.048 0.000 0.975 160 L CB -0.145 41.938 42.059 0.039 0.000 1.341 160 L HN 0.229 nan 8.230 nan 0.000 0.431 161 P HA 0.047 nan 4.420 nan 0.000 0.252 161 P C 1.092 178.407 177.300 0.026 0.000 1.147 161 P CA 0.999 64.120 63.100 0.035 0.000 0.779 161 P CB 0.283 32.000 31.700 0.028 0.000 0.733 162 G N 1.507 110.325 108.800 0.029 0.000 2.159 162 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 162 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 162 G C 0.082 174.989 174.900 0.012 0.000 0.977 162 G CA -0.195 44.915 45.100 0.017 0.000 0.652 162 G HN 0.545 nan 8.290 nan 0.000 0.531 163 V N 1.197 121.123 119.914 0.020 0.000 2.483 163 V HA 0.591 4.711 4.120 -0.000 0.000 0.295 163 V C 0.700 176.809 176.094 0.025 0.000 1.035 163 V CA -0.225 62.084 62.300 0.016 0.000 0.896 163 V CB 1.878 33.706 31.823 0.009 0.000 0.986 163 V HN 0.304 nan 8.190 nan 0.000 0.447 164 S N 6.023 121.732 115.700 0.014 0.000 2.414 164 S HA 0.438 4.908 4.470 -0.000 0.000 0.290 164 S C -0.142 174.484 174.600 0.043 0.000 1.160 164 S CA -0.122 58.081 58.200 0.005 0.000 1.069 164 S CB -0.301 62.897 63.200 -0.003 0.000 1.012 164 S HN 0.464 nan 8.310 nan 0.000 0.510 165 I N 2.604 123.205 120.570 0.052 0.000 2.331 165 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 165 I C 0.806 176.975 176.117 0.086 0.000 0.998 165 I CA -0.412 60.953 61.300 0.109 0.000 1.267 165 I CB 1.306 39.386 38.000 0.132 0.000 1.386 165 I HN 0.648 nan 8.210 nan 0.000 0.476 166 A N 7.742 130.661 122.820 0.166 0.000 2.734 166 A HA 0.392 4.712 4.320 -0.000 0.000 0.279 166 A C 0.472 178.143 177.584 0.144 0.000 1.386 166 A CA -0.323 51.798 52.037 0.140 0.000 0.987 166 A CB -0.712 18.382 19.000 0.155 0.000 1.041 166 A HN 0.642 nan 8.150 nan 0.000 0.569 167 L N 1.136 122.381 121.223 0.036 0.000 2.483 167 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 167 L C -1.579 175.325 176.870 0.055 0.000 1.220 167 L CA -1.330 53.510 54.840 -0.001 0.000 0.833 167 L CB 0.195 42.215 42.059 -0.066 0.000 1.102 167 L HN 0.265 nan 8.230 nan 0.000 0.490 168 P HA 0.108 nan 4.420 nan 0.000 0.277 168 P C -0.006 177.316 177.300 0.037 0.000 1.271 168 P CA -0.456 62.668 63.100 0.041 0.000 0.795 168 P CB 0.651 32.372 31.700 0.034 0.000 1.101 169 A N -0.127 122.703 122.820 0.017 0.000 1.933 169 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 169 A C 0.828 178.419 177.584 0.011 0.000 1.175 169 A CA 1.597 53.641 52.037 0.011 0.000 0.628 169 A CB -0.697 18.300 19.000 -0.005 0.000 0.814 169 A HN 0.432 nan 8.150 nan 0.000 0.444 170 L N -2.069 119.148 121.223 -0.011 0.000 2.401 170 L HA 0.707 5.047 4.340 -0.000 0.000 0.266 170 L C 0.251 177.101 176.870 -0.033 0.000 0.991 170 L CA -0.627 54.187 54.840 -0.043 0.000 0.818 170 L CB 1.310 43.300 42.059 -0.114 0.000 1.321 170 L HN 0.240 nan 8.230 nan 0.000 0.413 171 A N 1.729 124.528 122.820 -0.034 0.000 2.287 171 A HA 0.500 4.820 4.320 -0.000 0.000 0.273 171 A C 0.972 178.535 177.584 -0.036 0.000 1.091 171 A CA -0.142 51.879 52.037 -0.027 0.000 0.817 171 A CB 0.329 19.313 19.000 -0.026 0.000 1.069 171 A HN 0.782 nan 8.150 nan 0.000 0.492 172 E N 0.324 120.514 120.200 -0.017 0.000 2.051 172 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 172 E C 1.795 178.391 176.600 -0.006 0.000 0.991 172 E CA 1.736 58.130 56.400 -0.010 0.000 0.799 172 E CB -0.150 29.554 29.700 0.007 0.000 0.748 172 E HN 0.696 nan 8.360 nan 0.000 0.449 173 K N 0.332 120.733 120.400 0.001 0.000 2.211 173 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 173 K C 1.300 177.915 176.600 0.025 0.000 1.050 173 K CA 1.186 57.486 56.287 0.022 0.000 0.945 173 K CB 0.072 32.580 32.500 0.014 0.000 0.732 173 K HN -0.009 nan 8.250 nan 0.000 0.451 174 D N 1.240 121.631 120.400 -0.016 0.000 2.104 174 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 174 D C 1.664 177.898 176.300 -0.110 0.000 0.994 174 D CA 1.403 55.372 54.000 -0.052 0.000 0.830 174 D CB 0.003 40.761 40.800 -0.069 0.000 0.959 174 D HN 0.215 nan 8.370 nan 0.000 0.452 175 K N 0.379 120.677 120.400 -0.171 0.000 2.063 175 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 175 K C 2.141 178.727 176.600 -0.022 0.000 1.048 175 K CA 1.147 57.252 56.287 -0.303 0.000 0.928 175 K CB -0.119 32.209 32.500 -0.286 0.000 0.713 175 K HN 0.193 nan 8.250 nan 0.000 0.442 176 Q N 1.087 120.908 119.800 0.035 0.000 2.172 176 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 176 Q C 0.866 176.947 176.000 0.135 0.000 0.964 176 Q CA 1.620 57.488 55.803 0.109 0.000 0.855 176 Q CB 0.056 28.893 28.738 0.164 0.000 0.918 176 Q HN 0.243 nan 8.270 nan 0.000 0.444 177 D N 1.197 121.670 120.400 0.121 0.000 2.104 177 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 177 D C 2.074 178.286 176.300 -0.148 0.000 0.994 177 D CA 1.051 55.038 54.000 -0.022 0.000 0.830 177 D CB -0.280 40.438 40.800 -0.137 0.000 0.959 177 D HN 0.292 nan 8.370 nan 0.000 0.452 178 L N 0.360 121.531 121.223 -0.087 0.000 2.141 178 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 178 L C 2.430 179.273 176.870 -0.045 0.000 1.094 178 L CA 0.558 55.371 54.840 -0.045 0.000 0.763 178 L CB -0.274 41.824 42.059 0.064 0.000 0.908 178 L HN 0.056 nan 8.230 nan 0.000 0.437 179 I N -0.616 119.909 120.570 -0.075 0.000 2.202 179 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 179 I C 2.537 178.587 176.117 -0.112 0.000 1.091 179 I CA 1.414 62.592 61.300 -0.203 0.000 1.368 179 I CB -0.364 37.463 38.000 -0.289 0.000 1.058 179 I HN 0.135 nan 8.210 nan 0.000 0.410 180 F N 2.067 121.829 119.950 -0.314 0.000 2.120 180 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 180 F C 2.314 177.958 175.800 -0.261 0.000 1.095 180 F CA 1.763 59.531 58.000 -0.387 0.000 1.249 180 F CB -0.778 37.749 39.000 -0.789 0.000 0.995 180 F HN 0.012 nan 8.300 nan 0.000 0.480 181 G N -0.349 108.387 108.800 -0.106 0.000 2.469 181 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 181 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 181 G C 1.655 176.433 174.900 -0.202 0.000 1.136 181 G CA 1.231 46.218 45.100 -0.188 0.000 0.759 181 G HN 0.546 nan 8.290 nan 0.000 0.562 182 C N 0.156 119.367 119.300 -0.148 0.000 2.476 182 C HA 0.075 4.535 4.460 -0.000 0.000 0.278 182 C C 2.754 177.658 174.990 -0.145 0.000 1.274 182 C CA 0.899 59.853 59.018 -0.108 0.000 1.713 182 C CB -0.841 26.881 27.740 -0.028 0.000 2.039 182 C HN 0.594 nan 8.230 nan 0.000 0.484 183 E N 0.360 120.454 120.200 -0.175 0.000 2.130 183 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 183 E C 2.133 178.584 176.600 -0.248 0.000 0.998 183 E CA 1.150 57.439 56.400 -0.186 0.000 0.806 183 E CB -0.155 29.428 29.700 -0.195 0.000 0.738 183 E HN 0.623 nan 8.360 nan 0.000 0.459 184 Q N -0.849 118.719 119.800 -0.386 0.000 2.432 184 Q HA 0.034 4.374 4.340 -0.000 0.000 0.205 184 Q C 1.129 176.989 176.000 -0.233 0.000 0.945 184 Q CA 0.811 56.385 55.803 -0.382 0.000 0.924 184 Q CB 0.822 29.181 28.738 -0.631 0.000 1.016 184 Q HN 0.414 nan 8.270 nan 0.000 0.503 185 G N 1.940 110.626 108.800 -0.191 0.000 2.249 185 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 185 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 185 G C 0.526 175.340 174.900 -0.144 0.000 1.036 185 G CA 0.407 45.424 45.100 -0.139 0.000 0.824 185 G HN 0.345 nan 8.290 nan 0.000 0.504 186 V N -3.201 116.623 119.914 -0.149 0.000 3.209 186 V HA 0.241 4.361 4.120 -0.000 0.000 0.305 186 V C 1.221 177.224 176.094 -0.151 0.000 1.127 186 V CA 0.941 63.168 62.300 -0.120 0.000 1.235 186 V CB 0.720 32.500 31.823 -0.072 0.000 0.987 186 V HN 0.207 nan 8.190 nan 0.000 0.499 187 D N 0.762 121.042 120.400 -0.201 0.000 2.259 187 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 187 D C 0.295 176.245 176.300 -0.583 0.000 0.961 187 D CA 1.213 54.956 54.000 -0.428 0.000 0.878 187 D CB 0.193 40.663 40.800 -0.549 0.000 1.009 187 D HN 0.576 nan 8.370 nan 0.000 0.490 188 F N -0.089 119.863 119.950 0.005 0.000 2.618 188 F HA 0.506 5.033 4.527 -0.000 0.000 0.332 188 F C -0.046 175.766 175.800 0.020 0.000 1.061 188 F CA -1.132 56.892 58.000 0.039 0.000 0.974 188 F CB 1.926 40.961 39.000 0.058 0.000 1.310 188 F HN -0.449 nan 8.300 nan 0.000 0.491 189 V N 1.522 121.589 119.914 0.255 0.000 2.488 189 V HA 0.611 4.731 4.120 -0.000 0.000 0.293 189 V C -0.736 175.424 176.094 0.110 0.000 1.027 189 V CA -0.982 61.391 62.300 0.122 0.000 0.862 189 V CB 1.445 33.308 31.823 0.067 0.000 1.008 189 V HN 0.900 nan 8.190 nan 0.000 0.428 190 A N 4.439 127.307 122.820 0.082 0.000 2.316 190 A HA 0.815 5.135 4.320 -0.000 0.000 0.311 190 A C 0.533 178.143 177.584 0.042 0.000 1.339 190 A CA 0.073 52.142 52.037 0.054 0.000 0.960 190 A CB 0.415 19.441 19.000 0.043 0.000 1.152 190 A HN 1.263 nan 8.150 nan 0.000 0.547 191 A N 3.017 125.859 122.820 0.038 0.000 2.331 191 A HA 0.598 4.918 4.320 -0.000 0.000 0.283 191 A C 0.672 178.286 177.584 0.050 0.000 1.142 191 A CA -0.211 51.846 52.037 0.032 0.000 0.812 191 A CB 0.222 19.236 19.000 0.023 0.000 1.074 191 A HN 0.746 nan 8.150 nan 0.000 0.497 192 S N 0.852 116.589 115.700 0.062 0.000 2.584 192 S HA 0.465 4.935 4.470 -0.000 0.000 0.273 192 S C -0.029 174.689 174.600 0.196 0.000 1.311 192 S CA 0.031 58.291 58.200 0.101 0.000 1.034 192 S CB -0.030 63.210 63.200 0.067 0.000 0.939 192 S HN 1.286 nan 8.310 nan 0.000 0.513 193 F N 1.658 121.601 119.950 -0.011 0.000 3.039 193 F HA -0.157 4.370 4.527 0.000 0.000 0.287 193 F C -0.737 175.056 175.800 -0.012 0.000 0.956 193 F CA -0.169 57.822 58.000 -0.015 0.000 0.971 193 F CB -1.195 37.786 39.000 -0.032 0.000 0.943 193 F HN 0.380 nan 8.300 nan 0.000 0.766 194 I N 3.132 123.683 120.570 -0.031 0.000 2.352 194 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 194 I C 1.403 177.413 176.117 -0.179 0.000 1.036 194 I CA 0.193 61.437 61.300 -0.094 0.000 1.336 194 I CB 1.214 39.194 38.000 -0.035 0.000 1.407 194 I HN 0.407 nan 8.210 nan 0.000 0.497 195 R N 5.326 125.687 120.500 -0.231 0.000 2.521 195 R HA 0.278 4.618 4.340 -0.000 0.000 0.289 195 R C -0.274 175.943 176.300 -0.137 0.000 0.936 195 R CA -0.287 55.673 56.100 -0.232 0.000 1.089 195 R CB 0.658 30.726 30.300 -0.386 0.000 1.348 195 R HN 0.573 nan 8.270 nan 0.000 0.536 196 K N 0.123 120.457 120.400 -0.109 0.000 2.555 196 K HA 0.358 4.678 4.320 -0.000 0.000 0.279 196 K C -0.166 176.394 176.600 -0.066 0.000 0.986 196 K CA -1.052 55.190 56.287 -0.075 0.000 0.880 196 K CB 2.051 34.512 32.500 -0.064 0.000 1.474 196 K HN -0.234 nan 8.250 nan 0.000 0.433 197 R N 0.936 121.401 120.500 -0.059 0.000 2.103 197 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 197 R C 1.782 178.056 176.300 -0.042 0.000 1.142 197 R CA 2.762 58.828 56.100 -0.057 0.000 0.960 197 R CB -0.414 29.855 30.300 -0.052 0.000 0.858 197 R HN 0.826 nan 8.270 nan 0.000 0.439 198 S N 0.396 116.076 115.700 -0.034 0.000 2.400 198 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 198 S C 1.330 175.918 174.600 -0.020 0.000 1.025 198 S CA 1.449 59.635 58.200 -0.023 0.000 0.993 198 S CB -0.248 62.941 63.200 -0.017 0.000 0.808 198 S HN 0.343 nan 8.310 nan 0.000 0.478 199 D N 1.805 122.187 120.400 -0.030 0.000 2.104 199 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 199 D C 2.207 178.497 176.300 -0.018 0.000 0.994 199 D CA 1.378 55.362 54.000 -0.026 0.000 0.830 199 D CB -0.666 40.108 40.800 -0.043 0.000 0.959 199 D HN 0.397 nan 8.370 nan 0.000 0.452 200 V N 1.117 121.015 119.914 -0.027 0.000 2.295 200 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 200 V C 2.484 178.573 176.094 -0.008 0.000 1.049 200 V CA 0.977 63.265 62.300 -0.021 0.000 1.024 200 V CB -0.381 31.419 31.823 -0.039 0.000 0.648 200 V HN 0.069 nan 8.190 nan 0.000 0.447 201 I N 0.170 120.734 120.570 -0.011 0.000 2.248 201 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 201 I C 2.445 178.571 176.117 0.015 0.000 1.107 201 I CA 1.448 62.747 61.300 -0.002 0.000 1.373 201 I CB -0.580 37.416 38.000 -0.007 0.000 1.055 201 I HN 0.391 nan 8.210 nan 0.000 0.418 202 E N -0.045 120.165 120.200 0.017 0.000 2.047 202 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 202 E C 2.345 178.981 176.600 0.060 0.000 0.987 202 E CA 1.195 57.616 56.400 0.035 0.000 0.799 202 E CB -0.075 29.638 29.700 0.021 0.000 0.752 202 E HN 0.416 nan 8.360 nan 0.000 0.449 203 I N 0.637 121.232 120.570 0.041 0.000 2.286 203 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 203 I C 2.559 178.730 176.117 0.090 0.000 1.115 203 I CA 0.937 62.272 61.300 0.059 0.000 1.392 203 I CB -0.370 37.647 38.000 0.028 0.000 1.065 203 I HN 0.033 nan 8.210 nan 0.000 0.418 204 R N 1.565 122.100 120.500 0.058 0.000 2.096 204 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 204 R C 2.048 178.384 176.300 0.061 0.000 1.127 204 R CA 1.520 57.651 56.100 0.051 0.000 0.968 204 R CB -0.219 30.096 30.300 0.025 0.000 0.861 204 R HN 0.366 nan 8.270 nan 0.000 0.440 205 E N -1.172 119.069 120.200 0.068 0.000 2.106 205 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 205 E C 1.756 178.409 176.600 0.089 0.000 0.984 205 E CA 0.983 57.420 56.400 0.062 0.000 0.806 205 E CB -0.203 29.532 29.700 0.058 0.000 0.750 205 E HN 0.475 nan 8.360 nan 0.000 0.458 206 H N 0.892 119.995 119.070 0.055 0.000 2.293 206 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 206 H C 2.203 177.622 175.328 0.151 0.000 1.082 206 H CA 1.291 57.401 56.048 0.104 0.000 1.308 206 H CB 0.012 29.809 29.762 0.059 0.000 1.375 206 H HN 0.130 nan 8.280 nan 0.000 0.495 207 L N 0.511 121.814 121.223 0.133 0.000 2.083 207 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 207 L C 2.769 179.657 176.870 0.029 0.000 1.083 207 L CA 1.485 56.370 54.840 0.075 0.000 0.752 207 L CB -0.323 41.779 42.059 0.072 0.000 0.899 207 L HN 0.152 nan 8.230 nan 0.000 0.433 208 K N 0.683 121.093 120.400 0.016 0.000 2.057 208 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 208 K C 2.002 178.564 176.600 -0.064 0.000 1.049 208 K CA 1.395 57.673 56.287 -0.016 0.000 0.931 208 K CB -0.256 32.239 32.500 -0.008 0.000 0.714 208 K HN 0.218 nan 8.250 nan 0.000 0.440 209 A N -0.537 122.224 122.820 -0.098 0.000 2.125 209 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 209 A C 0.814 178.113 177.584 -0.476 0.000 1.156 209 A CA 1.467 53.359 52.037 -0.241 0.000 0.671 209 A CB -0.602 18.247 19.000 -0.252 0.000 0.794 209 A HN 0.500 nan 8.150 nan 0.000 0.459 210 H N -1.845 117.137 119.070 -0.146 0.000 2.486 210 H HA 0.402 4.958 4.556 -0.000 0.000 0.284 210 H C 1.256 176.527 175.328 -0.094 0.000 1.103 210 H CA 0.226 56.195 56.048 -0.132 0.000 1.089 210 H CB 0.214 29.872 29.762 -0.173 0.000 1.603 210 H HN 0.475 nan 8.280 nan 0.000 0.557 211 G N 0.593 109.359 108.800 -0.057 0.000 2.198 211 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 211 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 211 G C 1.010 175.895 174.900 -0.026 0.000 1.025 211 G CA 0.395 45.470 45.100 -0.041 0.000 0.769 211 G HN 0.641 nan 8.290 nan 0.000 0.507 212 G N -0.020 108.774 108.800 -0.010 0.000 3.820 212 G HA2 0.469 4.429 3.960 -0.000 0.000 0.293 212 G HA3 0.469 4.429 3.960 -0.000 0.000 0.293 212 G C 1.041 175.939 174.900 -0.003 0.000 1.152 212 G CA 0.812 45.905 45.100 -0.011 0.000 0.921 212 G HN 0.755 nan 8.290 nan 0.000 0.544 213 E N 0.395 120.591 120.200 -0.007 0.000 2.333 213 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 213 E C 0.891 177.500 176.600 0.016 0.000 1.007 213 E CA 0.662 57.065 56.400 0.004 0.000 0.845 213 E CB -0.115 29.581 29.700 -0.006 0.000 0.766 213 E HN 0.254 nan 8.360 nan 0.000 0.507 214 N N 0.743 119.439 118.700 -0.007 0.000 2.336 214 N HA 0.160 4.900 4.740 -0.000 0.000 0.189 214 N C 0.342 175.827 175.510 -0.041 0.000 1.113 214 N CA 0.174 53.211 53.050 -0.022 0.000 0.858 214 N CB 0.414 38.862 38.487 -0.064 0.000 0.970 214 N HN 0.265 nan 8.380 nan 0.000 0.471 215 I N 1.862 122.426 120.570 -0.010 0.000 2.416 215 I HA 0.006 4.176 4.170 -0.000 0.000 0.288 215 I C 0.181 176.389 176.117 0.152 0.000 1.051 215 I CA -0.371 60.920 61.300 -0.015 0.000 1.375 215 I CB 0.363 38.356 38.000 -0.010 0.000 1.407 215 I HN -0.105 nan 8.210 nan 0.000 0.516 216 H N 6.339 125.407 119.070 -0.003 0.000 2.722 216 H HA 0.357 4.913 4.556 -0.000 0.000 0.328 216 H C -0.191 175.249 175.328 0.187 0.000 1.067 216 H CA -0.389 55.739 56.048 0.134 0.000 1.447 216 H CB 0.728 30.674 29.762 0.307 0.000 1.469 216 H HN 0.393 nan 8.280 nan 0.000 0.544 217 I N 4.991 125.667 120.570 0.177 0.000 2.301 217 I HA 0.044 4.214 4.170 -0.000 0.000 0.292 217 I C -0.054 176.105 176.117 0.070 0.000 1.046 217 I CA -0.242 61.123 61.300 0.109 0.000 1.282 217 I CB 0.429 38.457 38.000 0.047 0.000 1.409 217 I HN 0.297 nan 8.210 nan 0.000 0.484 218 I N 5.624 126.240 120.570 0.077 0.000 2.301 218 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 218 I C 0.504 176.630 176.117 0.015 0.000 1.046 218 I CA 0.088 61.396 61.300 0.014 0.000 1.282 218 I CB 0.639 38.619 38.000 -0.033 0.000 1.409 218 I HN 0.440 nan 8.210 nan 0.000 0.484 219 S N 6.881 122.581 115.700 0.001 0.000 2.474 219 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 219 S C 0.291 174.911 174.600 0.032 0.000 1.227 219 S CA -0.587 57.617 58.200 0.007 0.000 1.050 219 S CB 0.378 63.564 63.200 -0.023 0.000 0.939 219 S HN 0.370 nan 8.310 nan 0.000 0.490 220 K N 3.189 123.615 120.400 0.044 0.000 2.316 220 K HA 0.280 4.600 4.320 -0.000 0.000 0.289 220 K C -0.459 176.186 176.600 0.075 0.000 1.070 220 K CA -0.225 56.100 56.287 0.063 0.000 0.928 220 K CB 0.438 32.979 32.500 0.069 0.000 1.039 220 K HN 0.445 nan 8.250 nan 0.000 0.480 221 I N 3.978 124.601 120.570 0.088 0.000 2.291 221 I HA 0.038 4.208 4.170 -0.000 0.000 0.292 221 I C 0.711 176.878 176.117 0.083 0.000 1.064 221 I CA 0.443 61.797 61.300 0.091 0.000 1.269 221 I CB 0.628 38.714 38.000 0.143 0.000 1.418 221 I HN 0.778 nan 8.210 nan 0.000 0.485 222 E N 4.729 124.989 120.200 0.101 0.000 2.511 222 E HA 0.089 4.439 4.350 -0.000 0.000 0.209 222 E C 0.150 176.839 176.600 0.149 0.000 0.986 222 E CA -0.045 56.447 56.400 0.152 0.000 0.974 222 E CB 0.746 30.615 29.700 0.282 0.000 1.030 222 E HN 0.826 nan 8.360 nan 0.000 0.490 223 N N -1.486 117.267 118.700 0.088 0.000 3.243 223 N HA 0.018 4.758 4.740 -0.000 0.000 0.280 223 N C 0.393 175.916 175.510 0.021 0.000 1.545 223 N CA -0.531 52.563 53.050 0.073 0.000 0.854 223 N CB 1.003 39.568 38.487 0.129 0.000 1.612 223 N HN -0.293 nan 8.380 nan 0.000 0.577 224 Q N 0.233 120.044 119.800 0.019 0.000 2.124 224 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 224 Q C 1.521 177.516 176.000 -0.009 0.000 0.977 224 Q CA 1.881 57.689 55.803 0.008 0.000 0.850 224 Q CB -0.158 28.587 28.738 0.012 0.000 0.901 224 Q HN 0.708 nan 8.270 nan 0.000 0.429 225 E N -1.274 118.903 120.200 -0.038 0.000 2.031 225 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 225 E C 1.832 178.400 176.600 -0.053 0.000 0.994 225 E CA 0.985 57.350 56.400 -0.057 0.000 0.800 225 E CB -0.519 29.118 29.700 -0.104 0.000 0.752 225 E HN 0.554 nan 8.360 nan 0.000 0.447 226 G N 1.496 110.246 108.800 -0.084 0.000 2.547 226 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 226 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 226 G C 1.480 176.418 174.900 0.062 0.000 1.140 226 G CA 1.090 46.172 45.100 -0.030 0.000 0.760 226 G HN 0.237 nan 8.290 nan 0.000 0.583 227 L N 0.995 122.249 121.223 0.051 0.000 2.072 227 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 227 L C 2.404 179.323 176.870 0.082 0.000 1.079 227 L CA 1.806 56.689 54.840 0.072 0.000 0.752 227 L CB -0.930 41.142 42.059 0.021 0.000 0.906 227 L HN 0.331 nan 8.230 nan 0.000 0.436 228 N N -0.680 118.046 118.700 0.044 0.000 2.381 228 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 228 N C 0.529 176.069 175.510 0.051 0.000 1.025 228 N CA 0.775 53.848 53.050 0.039 0.000 0.888 228 N CB -0.058 38.438 38.487 0.015 0.000 0.965 228 N HN 0.316 nan 8.380 nan 0.000 0.438 229 N N 0.085 118.814 118.700 0.048 0.000 2.279 229 N HA 0.032 4.772 4.740 -0.000 0.000 0.226 229 N C 0.354 175.888 175.510 0.040 0.000 1.126 229 N CA -0.128 52.937 53.050 0.026 0.000 0.846 229 N CB 0.059 38.536 38.487 -0.016 0.000 1.050 229 N HN 0.239 nan 8.380 nan 0.000 0.502 230 F N 1.561 121.496 119.950 -0.025 0.000 2.234 230 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 230 F C 1.463 177.253 175.800 -0.018 0.000 1.087 230 F CA 1.243 59.230 58.000 -0.022 0.000 1.340 230 F CB 0.315 39.306 39.000 -0.014 0.000 1.031 230 F HN -0.105 nan 8.300 nan 0.000 0.500 231 D N 0.582 120.979 120.400 -0.005 0.000 2.084 231 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 231 D C 2.214 178.419 176.300 -0.157 0.000 0.990 231 D CA 1.989 55.946 54.000 -0.072 0.000 0.826 231 D CB -0.532 40.288 40.800 0.034 0.000 0.971 231 D HN 0.661 nan 8.370 nan 0.000 0.453 232 E N 0.426 120.562 120.200 -0.106 0.000 2.150 232 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 232 E C 2.227 178.739 176.600 -0.148 0.000 0.985 232 E CA 0.637 56.974 56.400 -0.105 0.000 0.814 232 E CB -0.422 29.239 29.700 -0.064 0.000 0.752 232 E HN 0.274 nan 8.360 nan 0.000 0.466 233 I N 0.968 121.424 120.570 -0.190 0.000 2.142 233 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 233 I C 2.564 178.505 176.117 -0.293 0.000 1.078 233 I CA 0.895 62.067 61.300 -0.212 0.000 1.343 233 I CB -0.270 37.608 38.000 -0.203 0.000 1.046 233 I HN 0.178 nan 8.210 nan 0.000 0.405 234 L N 0.960 121.872 121.223 -0.519 0.000 2.127 234 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 234 L C 2.407 179.120 176.870 -0.262 0.000 1.089 234 L CA 1.957 56.498 54.840 -0.499 0.000 0.757 234 L CB -0.811 40.784 42.059 -0.773 0.000 0.899 234 L HN 0.330 nan 8.230 nan 0.000 0.434 235 E N -0.384 119.688 120.200 -0.214 0.000 2.152 235 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 235 E C 1.737 178.272 176.600 -0.108 0.000 0.983 235 E CA 0.984 57.304 56.400 -0.132 0.000 0.818 235 E CB 0.003 29.642 29.700 -0.103 0.000 0.758 235 E HN 0.592 nan 8.360 nan 0.000 0.467 236 A N 0.599 123.352 122.820 -0.111 0.000 2.275 236 A HA 0.194 4.514 4.320 -0.000 0.000 0.212 236 A C 0.836 178.370 177.584 -0.083 0.000 1.201 236 A CA -0.135 51.852 52.037 -0.083 0.000 0.843 236 A CB 0.244 19.203 19.000 -0.069 0.000 0.873 236 A HN 0.125 nan 8.150 nan 0.000 0.492 237 S N -0.310 115.325 115.700 -0.107 0.000 2.722 237 S HA 0.302 4.772 4.470 -0.000 0.000 0.292 237 S C -0.017 174.513 174.600 -0.117 0.000 1.135 237 S CA -0.579 57.563 58.200 -0.098 0.000 1.003 237 S CB 1.046 64.184 63.200 -0.104 0.000 1.067 237 S HN 0.389 nan 8.310 nan 0.000 0.546 238 D N 0.294 120.619 120.400 -0.126 0.000 2.360 238 D HA 0.295 4.935 4.640 -0.000 0.000 0.210 238 D C 0.683 176.909 176.300 -0.123 0.000 1.047 238 D CA 0.333 54.206 54.000 -0.211 0.000 0.854 238 D CB 0.650 41.179 40.800 -0.452 0.000 0.936 238 D HN 0.654 nan 8.370 nan 0.000 0.514 239 G N 0.297 109.050 108.800 -0.078 0.000 2.322 239 G HA2 0.376 4.336 3.960 -0.000 0.000 0.295 239 G HA3 0.376 4.336 3.960 -0.000 0.000 0.295 239 G C -1.933 172.947 174.900 -0.033 0.000 1.369 239 G CA -0.655 44.415 45.100 -0.051 0.000 0.821 239 G HN -0.053 nan 8.290 nan 0.000 0.536 240 I N 0.275 120.841 120.570 -0.007 0.000 2.802 240 I HA 0.567 4.737 4.170 -0.000 0.000 0.298 240 I C -0.607 175.528 176.117 0.029 0.000 1.176 240 I CA -0.665 60.661 61.300 0.044 0.000 1.025 240 I CB 2.199 40.296 38.000 0.162 0.000 1.243 240 I HN 0.681 nan 8.210 nan 0.000 0.424 241 M N 5.079 124.704 119.600 0.041 0.000 2.259 241 M HA 0.481 4.961 4.480 -0.000 0.000 0.304 241 M C -1.620 174.707 176.300 0.045 0.000 1.019 241 M CA -0.719 54.597 55.300 0.026 0.000 0.922 241 M CB 1.898 34.507 32.600 0.014 0.000 1.600 241 M HN 0.274 nan 8.290 nan 0.000 0.433 242 V N 4.713 124.646 119.914 0.032 0.000 2.353 242 V HA 0.375 4.495 4.120 -0.000 0.000 0.264 242 V C 0.478 176.585 176.094 0.021 0.000 1.049 242 V CA -0.508 61.807 62.300 0.025 0.000 0.896 242 V CB 0.562 32.386 31.823 0.003 0.000 1.025 242 V HN 0.884 nan 8.190 nan 0.000 0.475 243 A N 5.282 128.122 122.820 0.033 0.000 2.923 243 A HA 0.397 4.717 4.320 -0.000 0.000 0.306 243 A C 1.392 178.992 177.584 0.026 0.000 1.542 243 A CA -0.418 51.639 52.037 0.034 0.000 1.225 243 A CB -0.279 18.752 19.000 0.052 0.000 1.147 243 A HN 0.869 nan 8.150 nan 0.000 0.542 244 R N 1.283 121.790 120.500 0.012 0.000 2.081 244 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 244 R C 2.365 178.669 176.300 0.007 0.000 1.131 244 R CA 1.901 58.002 56.100 0.003 0.000 0.960 244 R CB -0.266 30.029 30.300 -0.009 0.000 0.856 244 R HN 0.674 nan 8.270 nan 0.000 0.436 245 G N 0.908 109.715 108.800 0.011 0.000 2.446 245 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 245 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 245 G C 0.683 175.593 174.900 0.017 0.000 1.168 245 G CA 1.467 46.574 45.100 0.012 0.000 0.771 245 G HN 0.282 nan 8.290 nan 0.000 0.551 246 D N 0.320 120.736 120.400 0.026 0.000 2.117 246 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 246 D C 2.503 178.830 176.300 0.046 0.000 0.987 246 D CA 0.444 54.466 54.000 0.038 0.000 0.829 246 D CB -0.220 40.614 40.800 0.057 0.000 0.961 246 D HN 0.282 nan 8.370 nan 0.000 0.460 247 L N 0.490 121.738 121.223 0.040 0.000 2.131 247 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 247 L C 2.506 179.391 176.870 0.026 0.000 1.092 247 L CA 1.209 56.070 54.840 0.035 0.000 0.759 247 L CB -0.628 41.444 42.059 0.021 0.000 0.903 247 L HN 0.163 nan 8.230 nan 0.000 0.435 248 G N -0.833 107.979 108.800 0.019 0.000 2.432 248 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 248 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 248 G C 1.416 176.326 174.900 0.018 0.000 1.135 248 G CA 0.653 45.761 45.100 0.014 0.000 0.767 248 G HN 0.245 nan 8.290 nan 0.000 0.550 249 V N 0.119 120.047 119.914 0.023 0.000 3.649 249 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 249 V C 1.959 178.072 176.094 0.032 0.000 1.281 249 V CA 0.921 63.235 62.300 0.023 0.000 1.143 249 V CB 0.172 32.007 31.823 0.020 0.000 0.892 249 V HN 0.317 nan 8.190 nan 0.000 0.441 250 E N 0.041 120.264 120.200 0.038 0.000 2.391 250 E HA 0.316 4.666 4.350 -0.000 0.000 0.206 250 E C 0.599 177.221 176.600 0.036 0.000 0.851 250 E CA 0.281 56.708 56.400 0.046 0.000 1.059 250 E CB 1.275 31.015 29.700 0.067 0.000 1.065 250 E HN 0.665 nan 8.360 nan 0.000 0.512 251 I N -1.161 119.428 120.570 0.031 0.000 3.002 251 I HA 0.543 4.713 4.170 -0.000 0.000 0.310 251 I C -2.715 173.417 176.117 0.025 0.000 1.087 251 I CA -2.864 58.453 61.300 0.027 0.000 1.017 251 I CB 1.923 39.938 38.000 0.026 0.000 1.226 251 I HN -0.338 nan 8.210 nan 0.000 0.443 252 P HA -0.017 nan 4.420 nan 0.000 0.261 252 P C 1.226 178.544 177.300 0.030 0.000 1.183 252 P CA -0.222 62.895 63.100 0.027 0.000 0.761 252 P CB 0.634 32.351 31.700 0.029 0.000 0.785 253 V N 3.292 123.221 119.914 0.024 0.000 2.222 253 V HA -0.340 3.780 4.120 -0.000 0.000 0.252 253 V C 1.955 178.065 176.094 0.027 0.000 1.060 253 V CA 2.318 64.629 62.300 0.018 0.000 1.027 253 V CB -1.634 30.197 31.823 0.013 0.000 0.644 253 V HN 0.653 nan 8.190 nan 0.000 0.448 254 E N 0.872 121.098 120.200 0.044 0.000 2.455 254 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 254 E C 1.766 178.455 176.600 0.148 0.000 1.045 254 E CA 1.957 58.405 56.400 0.080 0.000 0.872 254 E CB -0.265 29.488 29.700 0.087 0.000 0.792 254 E HN 0.758 nan 8.360 nan 0.000 0.542 255 E N 0.163 120.431 120.200 0.113 0.000 2.415 255 E HA 0.058 4.408 4.350 -0.000 0.000 0.197 255 E C 1.854 178.517 176.600 0.105 0.000 1.007 255 E CA 0.269 56.761 56.400 0.154 0.000 0.890 255 E CB 0.311 30.064 29.700 0.088 0.000 0.891 255 E HN 0.120 nan 8.360 nan 0.000 0.496 256 V N 0.840 120.771 119.914 0.029 0.000 2.427 256 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 256 V C 1.970 178.024 176.094 -0.068 0.000 1.051 256 V CA 1.586 63.879 62.300 -0.013 0.000 1.048 256 V CB -0.588 31.223 31.823 -0.020 0.000 0.666 256 V HN 0.309 nan 8.190 nan 0.000 0.456 257 I N -1.053 119.419 120.570 -0.163 0.000 2.142 257 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 257 I C 2.260 178.196 176.117 -0.302 0.000 1.078 257 I CA 1.741 62.864 61.300 -0.295 0.000 1.343 257 I CB -1.236 36.457 38.000 -0.511 0.000 1.046 257 I HN 0.115 nan 8.210 nan 0.000 0.405 258 F N 1.691 121.616 119.950 -0.042 0.000 2.120 258 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 258 F C 2.691 178.445 175.800 -0.078 0.000 1.095 258 F CA 1.404 59.373 58.000 -0.052 0.000 1.249 258 F CB -1.342 37.632 39.000 -0.043 0.000 0.995 258 F HN 0.101 nan 8.300 nan 0.000 0.480 259 A N -0.393 122.469 122.820 0.070 0.000 1.892 259 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 259 A C 2.234 179.755 177.584 -0.104 0.000 1.188 259 A CA 2.113 54.128 52.037 -0.037 0.000 0.631 259 A CB -1.150 17.832 19.000 -0.031 0.000 0.822 259 A HN 0.493 nan 8.150 nan 0.000 0.447 260 Q N -0.245 119.505 119.800 -0.084 0.000 1.985 260 Q HA -0.273 4.067 4.340 -0.000 0.000 0.207 260 Q C 2.067 178.016 176.000 -0.086 0.000 0.996 260 Q CA 2.309 58.059 55.803 -0.088 0.000 0.851 260 Q CB -0.209 28.480 28.738 -0.081 0.000 0.921 260 Q HN 0.692 nan 8.270 nan 0.000 0.418 261 K N 0.142 120.500 120.400 -0.069 0.000 2.063 261 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 261 K C 2.216 178.797 176.600 -0.031 0.000 1.048 261 K CA 1.616 57.880 56.287 -0.038 0.000 0.928 261 K CB -0.333 32.156 32.500 -0.019 0.000 0.713 261 K HN 0.368 nan 8.250 nan 0.000 0.442 262 M N 0.664 120.241 119.600 -0.040 0.000 2.082 262 M HA -0.241 4.239 4.480 -0.000 0.000 0.258 262 M C 1.980 178.171 176.300 -0.182 0.000 1.069 262 M CA 1.855 57.102 55.300 -0.088 0.000 1.102 262 M CB -0.115 32.415 32.600 -0.116 0.000 1.336 262 M HN 0.227 nan 8.290 nan 0.000 0.404 263 M N -0.546 118.871 119.600 -0.305 0.000 2.288 263 M HA -0.109 4.371 4.480 -0.000 0.000 0.266 263 M C 2.032 178.294 176.300 -0.063 0.000 1.072 263 M CA 1.104 56.136 55.300 -0.446 0.000 1.132 263 M CB -0.368 31.902 32.600 -0.549 0.000 1.386 263 M HN 0.309 nan 8.290 nan 0.000 0.432 264 I N 0.116 120.663 120.570 -0.038 0.000 2.252 264 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 264 I C 2.580 178.730 176.117 0.054 0.000 1.102 264 I CA 1.246 62.562 61.300 0.027 0.000 1.385 264 I CB -0.498 37.514 38.000 0.020 0.000 1.064 264 I HN 0.397 nan 8.210 nan 0.000 0.414 265 E N 1.902 122.120 120.200 0.031 0.000 2.031 265 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 265 E C 2.094 178.737 176.600 0.071 0.000 0.994 265 E CA 1.487 57.916 56.400 0.047 0.000 0.800 265 E CB 0.059 29.775 29.700 0.027 0.000 0.752 265 E HN 0.432 nan 8.360 nan 0.000 0.447 266 K N -0.143 120.312 120.400 0.092 0.000 2.148 266 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 266 K C 2.344 179.038 176.600 0.157 0.000 1.050 266 K CA 1.244 57.628 56.287 0.161 0.000 0.942 266 K CB -0.089 32.601 32.500 0.315 0.000 0.724 266 K HN 0.278 nan 8.250 nan 0.000 0.446 267 C N 0.870 120.267 119.300 0.162 0.000 2.466 267 C HA -0.008 4.452 4.460 -0.000 0.000 0.278 267 C C 2.512 177.527 174.990 0.043 0.000 1.288 267 C CA 0.082 59.161 59.018 0.102 0.000 1.722 267 C CB -0.659 27.143 27.740 0.104 0.000 2.017 267 C HN 0.393 nan 8.230 nan 0.000 0.488 268 I N 1.228 121.827 120.570 0.048 0.000 2.087 268 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 268 I C 2.739 178.847 176.117 -0.014 0.000 1.054 268 I CA 1.825 63.135 61.300 0.018 0.000 1.311 268 I CB -0.553 37.510 38.000 0.105 0.000 1.024 268 I HN 0.363 nan 8.210 nan 0.000 0.402 269 R N 0.692 121.203 120.500 0.018 0.000 2.200 269 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 269 R C 1.977 178.277 176.300 -0.000 0.000 1.127 269 R CA 1.352 57.457 56.100 0.008 0.000 0.989 269 R CB -0.423 29.898 30.300 0.036 0.000 0.869 269 R HN 0.421 nan 8.270 nan 0.000 0.459 270 A N 0.652 123.474 122.820 0.004 0.000 2.275 270 A HA 0.092 4.412 4.320 -0.000 0.000 0.212 270 A C 0.419 177.990 177.584 -0.022 0.000 1.201 270 A CA -0.237 51.796 52.037 -0.006 0.000 0.843 270 A CB 0.051 19.049 19.000 -0.004 0.000 0.873 270 A HN 0.266 nan 8.150 nan 0.000 0.492 271 R N -1.118 119.361 120.500 -0.036 0.000 3.531 271 R HA -0.147 4.193 4.340 -0.000 0.000 0.280 271 R C -0.944 175.336 176.300 -0.033 0.000 1.130 271 R CA 1.198 57.270 56.100 -0.046 0.000 0.757 271 R CB -1.959 28.321 30.300 -0.033 0.000 1.218 271 R HN 0.538 nan 8.270 nan 0.000 0.454 272 K N 0.487 120.869 120.400 -0.030 0.000 2.324 272 K HA 0.397 4.717 4.320 -0.000 0.000 0.253 272 K C 0.369 176.957 176.600 -0.021 0.000 0.932 272 K CA -0.801 55.469 56.287 -0.029 0.000 0.799 272 K CB 2.358 34.831 32.500 -0.044 0.000 1.154 272 K HN 0.022 nan 8.250 nan 0.000 0.425 273 V N 0.030 119.933 119.914 -0.017 0.000 2.872 273 V HA 0.244 4.364 4.120 -0.000 0.000 0.307 273 V C 0.050 176.122 176.094 -0.036 0.000 1.072 273 V CA -0.622 61.657 62.300 -0.034 0.000 1.148 273 V CB 1.020 32.807 31.823 -0.060 0.000 0.954 273 V HN 0.506 nan 8.190 nan 0.000 0.490 274 V N 5.666 125.564 119.914 -0.027 0.000 2.638 274 V HA 0.602 4.722 4.120 -0.000 0.000 0.306 274 V C -0.452 175.627 176.094 -0.025 0.000 1.052 274 V CA -0.637 61.658 62.300 -0.008 0.000 0.885 274 V CB 1.693 33.536 31.823 0.033 0.000 0.999 274 V HN 0.850 nan 8.190 nan 0.000 0.424 275 I N 5.374 125.925 120.570 -0.031 0.000 2.354 275 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 275 I C 0.117 176.229 176.117 -0.008 0.000 0.989 275 I CA -0.426 60.855 61.300 -0.032 0.000 1.188 275 I CB 1.986 39.953 38.000 -0.054 0.000 1.342 275 I HN 0.481 nan 8.210 nan 0.000 0.457 276 T N 5.347 119.900 114.554 -0.003 0.000 2.743 276 T HA 0.380 4.730 4.350 -0.000 0.000 0.293 276 T C 0.781 175.483 174.700 0.003 0.000 0.945 276 T CA -0.279 61.822 62.100 0.000 0.000 1.030 276 T CB 1.678 70.545 68.868 -0.002 0.000 0.912 276 T HN 0.815 nan 8.240 nan 0.000 0.483 277 A N 3.403 126.227 122.820 0.006 0.000 1.984 277 A HA 0.340 4.660 4.320 -0.000 0.000 0.203 277 A C 1.352 178.945 177.584 0.016 0.000 1.292 277 A CA 0.154 52.198 52.037 0.012 0.000 0.782 277 A CB 0.054 19.064 19.000 0.016 0.000 0.924 277 A HN 0.723 nan 8.150 nan 0.000 0.475 278 T N -3.438 111.125 114.554 0.014 0.000 2.932 278 T HA 0.489 4.839 4.350 -0.000 0.000 0.289 278 T C 0.186 174.893 174.700 0.011 0.000 1.039 278 T CA -0.049 62.061 62.100 0.016 0.000 1.024 278 T CB 0.820 69.699 68.868 0.018 0.000 1.090 278 T HN 0.834 nan 8.240 nan 0.000 0.496 279 M N 0.828 120.436 119.600 0.013 0.000 2.460 279 M HA -0.206 4.274 4.480 -0.000 0.000 0.182 279 M C 0.270 176.573 176.300 0.005 0.000 0.903 279 M CA 0.287 55.592 55.300 0.009 0.000 0.555 279 M CB -1.804 30.799 32.600 0.005 0.000 1.106 279 M HN 0.573 nan 8.290 nan 0.000 0.867 280 M N 0.289 119.894 119.600 0.009 0.000 2.329 280 M HA 0.266 4.746 4.480 -0.000 0.000 0.244 280 M C 1.404 177.707 176.300 0.006 0.000 1.156 280 M CA 1.413 56.717 55.300 0.006 0.000 1.192 280 M CB -0.210 32.395 32.600 0.010 0.000 1.241 280 M HN 0.634 nan 8.290 nan 0.000 0.465 281 L N 0.673 121.903 121.223 0.012 0.000 3.141 281 L HA 0.165 4.505 4.340 -0.000 0.000 0.263 281 L C 0.461 177.342 176.870 0.018 0.000 1.312 281 L CA -0.457 54.390 54.840 0.012 0.000 1.012 281 L CB 0.036 42.104 42.059 0.015 0.000 1.408 281 L HN 0.168 nan 8.230 nan 0.000 0.559 282 D N 0.437 120.847 120.400 0.017 0.000 2.182 282 D HA -0.188 4.452 4.640 -0.000 0.000 0.201 282 D C 2.259 178.573 176.300 0.023 0.000 0.986 282 D CA 1.790 55.803 54.000 0.021 0.000 0.847 282 D CB 0.160 40.971 40.800 0.017 0.000 0.942 282 D HN 0.455 nan 8.370 nan 0.000 0.467 283 S N 0.339 116.048 115.700 0.015 0.000 2.420 283 S HA -0.175 4.295 4.470 -0.000 0.000 0.237 283 S C 1.885 176.498 174.600 0.023 0.000 1.023 283 S CA 0.769 58.977 58.200 0.012 0.000 0.991 283 S CB -0.455 62.743 63.200 -0.002 0.000 0.792 283 S HN 0.243 nan 8.310 nan 0.000 0.488 284 M N 0.411 120.027 119.600 0.028 0.000 2.686 284 M HA 0.206 4.686 4.480 -0.000 0.000 0.246 284 M C 1.636 178.012 176.300 0.127 0.000 1.096 284 M CA 0.527 55.857 55.300 0.050 0.000 1.076 284 M CB -0.530 32.095 32.600 0.041 0.000 1.504 284 M HN 0.375 nan 8.290 nan 0.000 0.524 285 I N 0.350 120.976 120.570 0.093 0.000 2.315 285 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 285 I C 2.033 178.229 176.117 0.131 0.000 1.117 285 I CA 1.396 62.753 61.300 0.094 0.000 1.404 285 I CB -0.001 38.029 38.000 0.049 0.000 1.071 285 I HN 0.272 nan 8.210 nan 0.000 0.419 286 K N -0.116 120.359 120.400 0.125 0.000 2.355 286 K HA 0.175 4.495 4.320 -0.000 0.000 0.198 286 K C -0.227 176.484 176.600 0.186 0.000 1.039 286 K CA 0.100 56.474 56.287 0.145 0.000 1.075 286 K CB 0.500 33.044 32.500 0.073 0.000 0.870 286 K HN 0.237 nan 8.250 nan 0.000 0.540 287 N N 0.426 119.184 118.700 0.097 0.000 2.264 287 N HA 0.159 4.899 4.740 -0.000 0.000 0.288 287 N C -2.537 172.699 175.510 -0.457 0.000 1.094 287 N CA -1.271 51.689 53.050 -0.151 0.000 0.817 287 N CB 2.297 40.729 38.487 -0.092 0.000 1.604 287 N HN -0.222 nan 8.380 nan 0.000 0.473 288 P HA 0.131 nan 4.420 nan 0.000 0.255 288 P C -0.383 176.708 177.300 -0.347 0.000 1.248 288 P CA 0.530 63.057 63.100 -0.956 0.000 0.807 288 P CB 0.898 31.943 31.700 -1.091 0.000 1.150 289 R N 0.294 120.654 120.500 -0.233 0.000 2.808 289 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 289 R C -2.831 173.419 176.300 -0.084 0.000 0.995 289 R CA -2.116 53.911 56.100 -0.120 0.000 0.917 289 R CB 1.473 31.714 30.300 -0.100 0.000 1.217 289 R HN -0.075 nan 8.270 nan 0.000 0.471 290 P HA 0.202 nan 4.420 nan 0.000 0.286 290 P C -0.569 176.713 177.300 -0.029 0.000 1.292 290 P CA -0.511 62.569 63.100 -0.033 0.000 0.842 290 P CB 0.754 32.443 31.700 -0.018 0.000 1.207 291 T N 1.333 115.875 114.554 -0.021 0.000 2.919 291 T HA 0.054 4.404 4.350 -0.000 0.000 0.302 291 T C 1.507 176.197 174.700 -0.017 0.000 1.031 291 T CA -0.226 61.862 62.100 -0.019 0.000 1.127 291 T CB 0.088 68.947 68.868 -0.015 0.000 0.952 291 T HN 0.365 nan 8.240 nan 0.000 0.540 292 R N 2.753 123.243 120.500 -0.017 0.000 2.196 292 R HA -0.259 4.080 4.340 -0.000 0.000 0.244 292 R C 2.290 178.581 176.300 -0.014 0.000 1.121 292 R CA 2.473 58.564 56.100 -0.015 0.000 0.930 292 R CB -1.092 29.200 30.300 -0.014 0.000 0.890 292 R HN 0.772 nan 8.270 nan 0.000 0.435 293 A N 0.416 123.228 122.820 -0.014 0.000 1.972 293 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 293 A C 2.107 179.682 177.584 -0.015 0.000 1.169 293 A CA 1.689 53.717 52.037 -0.015 0.000 0.635 293 A CB -0.356 18.635 19.000 -0.014 0.000 0.810 293 A HN 0.579 nan 8.150 nan 0.000 0.446 294 E N -0.430 119.763 120.200 -0.013 0.000 2.046 294 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 294 E C 2.378 178.972 176.600 -0.010 0.000 0.982 294 E CA 0.774 57.167 56.400 -0.011 0.000 0.800 294 E CB -0.259 29.436 29.700 -0.008 0.000 0.756 294 E HN 0.601 nan 8.360 nan 0.000 0.449 295 A N 1.096 123.910 122.820 -0.010 0.000 1.917 295 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 295 A C 2.381 179.959 177.584 -0.010 0.000 1.182 295 A CA 1.946 53.978 52.037 -0.009 0.000 0.633 295 A CB -1.237 17.757 19.000 -0.010 0.000 0.819 295 A HN 0.387 nan 8.150 nan 0.000 0.448 296 G N -0.520 108.272 108.800 -0.014 0.000 2.421 296 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 296 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 296 G C 1.340 176.227 174.900 -0.020 0.000 1.171 296 G CA 1.351 46.441 45.100 -0.017 0.000 0.775 296 G HN 0.510 nan 8.290 nan 0.000 0.543 297 D N 0.197 120.584 120.400 -0.021 0.000 2.123 297 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 297 D C 2.687 178.976 176.300 -0.019 0.000 0.992 297 D CA 1.016 55.001 54.000 -0.025 0.000 0.833 297 D CB -0.237 40.550 40.800 -0.022 0.000 0.954 297 D HN 0.174 nan 8.370 nan 0.000 0.455 298 V N 0.904 120.811 119.914 -0.011 0.000 2.295 298 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 298 V C 2.666 178.758 176.094 -0.004 0.000 1.049 298 V CA 1.850 64.147 62.300 -0.005 0.000 1.024 298 V CB -1.098 30.725 31.823 0.001 0.000 0.648 298 V HN 0.296 nan 8.190 nan 0.000 0.447 299 A N 0.391 123.208 122.820 -0.006 0.000 1.908 299 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 299 A C 2.116 179.693 177.584 -0.012 0.000 1.181 299 A CA 2.141 54.174 52.037 -0.005 0.000 0.627 299 A CB -0.734 18.262 19.000 -0.007 0.000 0.818 299 A HN 0.585 nan 8.150 nan 0.000 0.445 300 N N 0.239 118.926 118.700 -0.021 0.000 2.166 300 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 300 N C 1.902 177.395 175.510 -0.029 0.000 1.019 300 N CA 1.479 54.510 53.050 -0.032 0.000 0.856 300 N CB -0.476 37.983 38.487 -0.046 0.000 0.993 300 N HN 0.480 nan 8.380 nan 0.000 0.426 301 A N 1.243 124.050 122.820 -0.022 0.000 1.933 301 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 301 A C 2.303 179.891 177.584 0.007 0.000 1.175 301 A CA 0.764 52.793 52.037 -0.014 0.000 0.628 301 A CB -0.496 18.498 19.000 -0.010 0.000 0.814 301 A HN 0.204 nan 8.150 nan 0.000 0.444 302 I N -0.426 120.152 120.570 0.013 0.000 2.202 302 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 302 I C 2.245 178.381 176.117 0.032 0.000 1.091 302 I CA 1.167 62.489 61.300 0.035 0.000 1.368 302 I CB -0.430 37.590 38.000 0.033 0.000 1.058 302 I HN 0.274 nan 8.210 nan 0.000 0.410 303 L N 0.268 121.490 121.223 -0.003 0.000 2.141 303 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 303 L C 2.018 178.852 176.870 -0.059 0.000 1.094 303 L CA 0.963 55.781 54.840 -0.036 0.000 0.763 303 L CB -0.735 41.299 42.059 -0.041 0.000 0.908 303 L HN 0.219 nan 8.230 nan 0.000 0.437 304 D N 0.623 121.002 120.400 -0.034 0.000 2.221 304 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 304 D C 1.613 177.913 176.300 0.001 0.000 0.982 304 D CA 1.565 55.548 54.000 -0.029 0.000 0.857 304 D CB -0.072 40.715 40.800 -0.021 0.000 0.934 304 D HN 0.444 nan 8.370 nan 0.000 0.475 305 G N 0.424 109.261 108.800 0.062 0.000 2.186 305 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.130 305 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.130 305 G C 0.290 175.335 174.900 0.241 0.000 1.031 305 G CA 0.169 45.418 45.100 0.248 0.000 0.697 305 G HN 0.347 nan 8.290 nan 0.000 0.494 306 T N -1.645 112.985 114.554 0.125 0.000 2.900 306 T HA 0.448 4.798 4.350 -0.000 0.000 0.307 306 T C 0.966 175.697 174.700 0.051 0.000 1.065 306 T CA 0.635 62.777 62.100 0.070 0.000 1.105 306 T CB 1.689 70.579 68.868 0.036 0.000 0.979 306 T HN 0.040 nan 8.240 nan 0.000 0.544 307 D N 1.121 121.526 120.400 0.009 0.000 2.120 307 D HA 0.299 4.939 4.640 -0.000 0.000 0.202 307 D C 0.804 177.101 176.300 -0.004 0.000 0.972 307 D CA 1.330 55.320 54.000 -0.016 0.000 0.837 307 D CB 0.071 40.848 40.800 -0.039 0.000 0.989 307 D HN 0.857 nan 8.370 nan 0.000 0.469 308 A N -0.134 122.680 122.820 -0.010 0.000 2.454 308 A HA 0.644 4.964 4.320 -0.000 0.000 0.302 308 A C -1.061 176.522 177.584 -0.002 0.000 1.079 308 A CA -0.751 51.280 52.037 -0.009 0.000 0.731 308 A CB 1.523 20.502 19.000 -0.034 0.000 1.299 308 A HN 0.039 nan 8.150 nan 0.000 0.413 309 V N -0.652 119.265 119.914 0.005 0.000 2.680 309 V HA 0.798 4.918 4.120 -0.000 0.000 0.309 309 V C -0.247 175.853 176.094 0.010 0.000 1.052 309 V CA -0.713 61.592 62.300 0.008 0.000 0.908 309 V CB 1.532 33.362 31.823 0.013 0.000 1.001 309 V HN 1.007 nan 8.190 nan 0.000 0.431 310 M N 4.672 124.278 119.600 0.010 0.000 2.294 310 M HA 0.618 5.098 4.480 -0.000 0.000 0.335 310 M C -1.496 174.818 176.300 0.023 0.000 1.079 310 M CA -0.668 54.642 55.300 0.017 0.000 0.982 310 M CB 1.582 34.191 32.600 0.015 0.000 1.651 310 M HN 0.744 nan 8.290 nan 0.000 0.437 311 L N 3.253 124.493 121.223 0.029 0.000 2.334 311 L HA 0.463 4.803 4.340 -0.000 0.000 0.277 311 L C 0.178 177.072 176.870 0.041 0.000 1.075 311 L CA -0.277 54.584 54.840 0.034 0.000 0.804 311 L CB 1.735 43.816 42.059 0.036 0.000 1.174 311 L HN 0.832 nan 8.230 nan 0.000 0.438 312 S N 0.770 116.494 115.700 0.041 0.000 4.150 312 S HA 0.220 4.690 4.470 -0.000 0.000 0.193 312 S C 1.554 176.181 174.600 0.046 0.000 1.010 312 S CA 0.201 58.430 58.200 0.048 0.000 1.650 312 S CB -0.288 62.939 63.200 0.046 0.000 0.823 312 S HN 0.845 nan 8.310 nan 0.000 0.794 313 G N 1.279 110.104 108.800 0.043 0.000 2.550 313 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 313 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 313 G C 0.978 175.896 174.900 0.029 0.000 1.113 313 G CA 1.670 46.789 45.100 0.032 0.000 0.748 313 G HN 0.614 nan 8.290 nan 0.000 0.585 314 E N 0.654 120.877 120.200 0.037 0.000 2.118 314 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 314 E C 2.837 179.463 176.600 0.044 0.000 0.992 314 E CA 1.683 58.111 56.400 0.046 0.000 0.804 314 E CB -0.120 29.609 29.700 0.048 0.000 0.741 314 E HN 0.620 nan 8.360 nan 0.000 0.458 315 S N -0.477 115.245 115.700 0.038 0.000 2.497 315 S HA 0.334 4.804 4.470 -0.000 0.000 0.221 315 S C 1.946 176.561 174.600 0.024 0.000 1.037 315 S CA 0.101 58.321 58.200 0.034 0.000 0.920 315 S CB 0.320 63.543 63.200 0.039 0.000 0.800 315 S HN 0.261 nan 8.310 nan 0.000 0.505 316 A N 3.583 126.419 122.820 0.026 0.000 1.832 316 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 316 A C 1.927 179.505 177.584 -0.010 0.000 1.242 316 A CA 1.296 53.343 52.037 0.016 0.000 0.603 316 A CB -0.419 18.600 19.000 0.032 0.000 0.902 316 A HN 0.655 nan 8.150 nan 0.000 0.455 317 K N -0.530 119.861 120.400 -0.016 0.000 2.414 317 K HA 0.396 4.716 4.320 -0.000 0.000 0.204 317 K C 0.727 177.309 176.600 -0.030 0.000 1.026 317 K CA 0.262 56.526 56.287 -0.038 0.000 1.108 317 K CB 0.198 32.661 32.500 -0.061 0.000 0.855 317 K HN 0.335 nan 8.250 nan 0.000 0.517 318 G N 0.816 109.609 108.800 -0.011 0.000 2.651 318 G HA2 0.294 4.253 3.960 -0.000 0.000 0.260 318 G HA3 0.294 4.253 3.960 -0.000 0.000 0.260 318 G C 0.750 175.619 174.900 -0.051 0.000 1.216 318 G CA -0.019 45.081 45.100 0.000 0.000 0.913 318 G HN 0.250 nan 8.290 nan 0.000 0.535 319 K N -1.308 119.049 120.400 -0.071 0.000 2.262 319 K HA 0.192 4.512 4.320 -0.000 0.000 0.200 319 K C 0.663 176.923 176.600 -0.566 0.000 1.049 319 K CA 0.838 56.928 56.287 -0.327 0.000 0.979 319 K CB -0.223 32.029 32.500 -0.413 0.000 0.773 319 K HN 0.593 nan 8.250 nan 0.000 0.474 320 Y N 0.374 120.673 120.300 -0.002 0.000 2.480 320 Y HA 0.214 4.764 4.550 -0.000 0.000 0.356 320 Y C -1.792 174.109 175.900 0.003 0.000 0.922 320 Y CA -2.385 55.715 58.100 0.000 0.000 1.146 320 Y CB 1.523 39.983 38.460 0.001 0.000 1.185 320 Y HN 0.100 nan 8.280 nan 0.000 0.624 321 P HA -0.160 nan 4.420 nan 0.000 0.219 321 P C 1.509 178.846 177.300 0.061 0.000 1.150 321 P CA 1.000 64.133 63.100 0.056 0.000 0.814 321 P CB 0.776 32.488 31.700 0.020 0.000 0.787 322 L N 0.023 121.283 121.223 0.062 0.000 2.307 322 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 322 L C 2.137 179.047 176.870 0.067 0.000 1.099 322 L CA 1.666 56.539 54.840 0.055 0.000 0.816 322 L CB -1.370 40.715 42.059 0.044 0.000 0.952 322 L HN -0.238 nan 8.230 nan 0.000 0.455 323 E N 0.141 120.402 120.200 0.102 0.000 2.038 323 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 323 E C 2.291 178.926 176.600 0.059 0.000 1.000 323 E CA 1.704 58.156 56.400 0.088 0.000 0.803 323 E CB -0.585 29.191 29.700 0.126 0.000 0.750 323 E HN 0.524 nan 8.360 nan 0.000 0.448 324 A N 0.469 123.333 122.820 0.073 0.000 1.873 324 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 324 A C 2.527 180.135 177.584 0.039 0.000 1.193 324 A CA 2.079 54.147 52.037 0.052 0.000 0.629 324 A CB -1.058 17.979 19.000 0.060 0.000 0.826 324 A HN 0.151 nan 8.150 nan 0.000 0.447 325 V N 0.052 119.991 119.914 0.042 0.000 2.287 325 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 325 V C 2.750 178.863 176.094 0.031 0.000 1.053 325 V CA 2.430 64.751 62.300 0.035 0.000 1.027 325 V CB -1.176 30.668 31.823 0.036 0.000 0.646 325 V HN 0.564 nan 8.190 nan 0.000 0.447 326 S N 0.017 115.736 115.700 0.031 0.000 2.348 326 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 326 S C 1.941 176.553 174.600 0.020 0.000 1.033 326 S CA 1.864 60.080 58.200 0.026 0.000 1.010 326 S CB -0.442 62.774 63.200 0.026 0.000 0.891 326 S HN 0.475 nan 8.310 nan 0.000 0.442 327 I N 1.285 121.865 120.570 0.017 0.000 2.394 327 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 327 I C 2.093 178.217 176.117 0.012 0.000 1.136 327 I CA 0.925 62.230 61.300 0.010 0.000 1.425 327 I CB -0.450 37.551 38.000 0.001 0.000 1.079 327 I HN 0.207 nan 8.210 nan 0.000 0.425 328 M N 0.725 120.334 119.600 0.016 0.000 2.080 328 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 328 M C 2.202 178.513 176.300 0.019 0.000 1.068 328 M CA 2.342 57.652 55.300 0.017 0.000 1.109 328 M CB -0.710 31.903 32.600 0.021 0.000 1.342 328 M HN 0.252 nan 8.290 nan 0.000 0.405 329 A N -0.985 121.848 122.820 0.021 0.000 1.930 329 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 329 A C 2.277 179.873 177.584 0.020 0.000 1.175 329 A CA 2.226 54.277 52.037 0.022 0.000 0.627 329 A CB -1.657 17.358 19.000 0.024 0.000 0.815 329 A HN 0.705 nan 8.150 nan 0.000 0.443 330 T N -1.581 112.983 114.554 0.017 0.000 2.833 330 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 330 T C 1.760 176.468 174.700 0.013 0.000 1.054 330 T CA 1.547 63.655 62.100 0.014 0.000 1.135 330 T CB -0.553 68.322 68.868 0.011 0.000 0.869 330 T HN 0.323 nan 8.240 nan 0.000 0.466 331 I N 0.680 121.257 120.570 0.012 0.000 2.286 331 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 331 I C 2.959 179.085 176.117 0.015 0.000 1.104 331 I CA 0.682 61.988 61.300 0.011 0.000 1.397 331 I CB -0.482 37.523 38.000 0.008 0.000 1.072 331 I HN 0.363 nan 8.210 nan 0.000 0.417 332 C N 0.344 119.656 119.300 0.019 0.000 2.413 332 C HA -0.195 4.265 4.460 -0.000 0.000 0.278 332 C C 2.887 177.893 174.990 0.028 0.000 1.224 332 C CA 1.066 60.099 59.018 0.025 0.000 1.732 332 C CB -0.935 26.821 27.740 0.027 0.000 2.050 332 C HN 0.520 nan 8.230 nan 0.000 0.463 333 E N 1.104 121.319 120.200 0.026 0.000 2.085 333 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 333 E C 2.236 178.851 176.600 0.025 0.000 0.994 333 E CA 1.585 58.001 56.400 0.027 0.000 0.801 333 E CB -0.379 29.335 29.700 0.024 0.000 0.743 333 E HN 0.512 nan 8.360 nan 0.000 0.453 334 R N -0.092 120.420 120.500 0.020 0.000 2.115 334 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 334 R C 2.200 178.510 176.300 0.017 0.000 1.111 334 R CA 2.145 58.254 56.100 0.016 0.000 0.976 334 R CB -0.609 29.698 30.300 0.011 0.000 0.870 334 R HN 0.131 nan 8.270 nan 0.000 0.445 335 T N 0.288 114.853 114.554 0.019 0.000 2.939 335 T HA 0.020 4.370 4.350 -0.000 0.000 0.254 335 T C 0.978 175.696 174.700 0.029 0.000 1.041 335 T CA 0.967 63.078 62.100 0.018 0.000 1.142 335 T CB -0.202 68.676 68.868 0.017 0.000 0.874 335 T HN 0.195 nan 8.240 nan 0.000 0.452 336 D N 1.331 121.755 120.400 0.040 0.000 2.149 336 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 336 D C 2.194 178.526 176.300 0.053 0.000 0.990 336 D CA 0.774 54.810 54.000 0.059 0.000 0.839 336 D CB -0.264 40.573 40.800 0.061 0.000 0.948 336 D HN 0.193 nan 8.370 nan 0.000 0.460 337 R N 0.620 121.143 120.500 0.040 0.000 2.139 337 R HA -0.127 4.213 4.340 -0.000 0.000 0.243 337 R C 1.645 177.963 176.300 0.029 0.000 1.145 337 R CA 1.163 57.283 56.100 0.034 0.000 0.976 337 R CB 0.078 30.393 30.300 0.026 0.000 0.866 337 R HN 0.235 nan 8.270 nan 0.000 0.449 338 V N -2.623 117.305 119.914 0.023 0.000 3.376 338 V HA 0.294 4.414 4.120 -0.000 0.000 0.313 338 V C 0.617 176.717 176.094 0.009 0.000 1.393 338 V CA -0.151 62.158 62.300 0.014 0.000 1.125 338 V CB -0.079 31.748 31.823 0.007 0.000 1.037 338 V HN -0.007 nan 8.190 nan 0.000 0.440 339 M N 1.466 121.077 119.600 0.019 0.000 2.494 339 M HA 0.544 5.024 4.480 -0.000 0.000 0.300 339 M C -0.348 175.964 176.300 0.020 0.000 1.189 339 M CA -0.245 55.057 55.300 0.003 0.000 0.982 339 M CB 1.260 33.867 32.600 0.010 0.000 1.534 339 M HN 0.181 nan 8.290 nan 0.000 0.488 340 N N -0.185 118.512 118.700 -0.006 0.000 2.265 340 N HA 0.390 5.130 4.740 -0.000 0.000 0.300 340 N C -1.147 174.398 175.510 0.058 0.000 1.148 340 N CA -0.477 52.588 53.050 0.024 0.000 0.772 340 N CB 1.829 40.319 38.487 0.003 0.000 1.434 340 N HN 0.731 nan 8.380 nan 0.000 0.481 341 S N 0.484 116.250 115.700 0.111 0.000 2.569 341 S HA 0.230 4.700 4.470 -0.000 0.000 0.274 341 S C 0.133 174.818 174.600 0.142 0.000 1.353 341 S CA -0.176 58.132 58.200 0.180 0.000 1.023 341 S CB 0.613 63.911 63.200 0.164 0.000 0.876 341 S HN 0.451 nan 8.310 nan 0.000 0.540 342 R N 1.272 121.912 120.500 0.234 0.000 2.443 342 R HA 0.433 4.773 4.340 -0.000 0.000 0.287 342 R C 0.008 176.484 176.300 0.292 0.000 1.425 342 R CA -0.081 56.133 56.100 0.190 0.000 1.300 342 R CB 0.415 30.804 30.300 0.150 0.000 1.129 342 R HN 0.640 nan 8.270 nan 0.000 0.577 343 L N 0.645 121.977 121.223 0.182 0.000 2.362 343 L HA 0.206 4.546 4.340 -0.000 0.000 0.204 343 L C 1.647 178.574 176.870 0.095 0.000 1.060 343 L CA 0.474 55.392 54.840 0.129 0.000 0.827 343 L CB -0.196 41.889 42.059 0.045 0.000 1.027 343 L HN 0.615 nan 8.230 nan 0.000 0.474 352 L N 2.381 123.617 121.223 0.020 0.000 2.282 352 L HA 0.915 5.255 4.340 -0.000 0.000 0.287 352 L C 0.525 177.408 176.870 0.020 0.000 1.075 352 L CA -0.250 54.602 54.840 0.021 0.000 0.839 352 L CB -0.566 41.503 42.059 0.016 0.000 1.219 352 L HN 1.131 nan 8.230 nan 0.000 0.434 353 R N 2.182 122.697 120.500 0.026 0.000 2.803 353 R HA 0.833 5.173 4.340 -0.000 0.000 0.276 353 R C 0.782 177.098 176.300 0.026 0.000 0.978 353 R CA 0.091 56.207 56.100 0.026 0.000 0.939 353 R CB 0.567 30.885 30.300 0.031 0.000 1.179 353 R HN 0.698 nan 8.270 nan 0.000 0.472 354 I N 0.271 120.854 120.570 0.022 0.000 2.110 354 I HA -0.221 3.949 4.170 -0.000 0.000 0.236 354 I C 2.342 178.475 176.117 0.026 0.000 1.068 354 I CA 2.173 63.485 61.300 0.020 0.000 1.333 354 I CB -0.261 37.748 38.000 0.015 0.000 1.054 354 I HN 0.792 nan 8.210 nan 0.000 0.402 355 T N 0.199 114.772 114.554 0.031 0.000 2.699 355 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 355 T C 1.847 176.588 174.700 0.068 0.000 1.036 355 T CA 1.391 63.517 62.100 0.043 0.000 1.147 355 T CB -0.297 68.595 68.868 0.041 0.000 0.862 355 T HN 0.298 nan 8.240 nan 0.000 0.446 356 E N 0.646 120.894 120.200 0.080 0.000 2.153 356 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 356 E C 2.384 179.019 176.600 0.060 0.000 0.988 356 E CA 1.102 57.578 56.400 0.128 0.000 0.811 356 E CB -0.168 29.606 29.700 0.123 0.000 0.746 356 E HN 0.521 nan 8.360 nan 0.000 0.466 357 A N 0.326 123.160 122.820 0.024 0.000 1.855 357 A HA -0.079 4.241 4.320 -0.000 0.000 0.213 357 A C 2.523 180.088 177.584 -0.031 0.000 1.195 357 A CA 1.109 53.138 52.037 -0.014 0.000 0.610 357 A CB -0.644 18.355 19.000 -0.001 0.000 0.837 357 A HN 0.137 nan 8.150 nan 0.000 0.444 358 V N -0.470 119.442 119.914 -0.003 0.000 2.287 358 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 358 V C 2.653 178.739 176.094 -0.012 0.000 1.053 358 V CA 2.202 64.503 62.300 0.001 0.000 1.027 358 V CB -1.153 30.683 31.823 0.022 0.000 0.646 358 V HN 0.706 nan 8.190 nan 0.000 0.447 359 C N -0.848 118.454 119.300 0.003 0.000 2.457 359 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 359 C C 2.890 177.789 174.990 -0.151 0.000 1.309 359 C CA 0.811 59.844 59.018 0.026 0.000 1.735 359 C CB -1.086 26.757 27.740 0.171 0.000 1.992 359 C HN 0.507 nan 8.230 nan 0.000 0.493 360 R N 1.007 121.255 120.500 -0.419 0.000 2.073 360 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 360 R C 2.331 178.429 176.300 -0.335 0.000 1.134 360 R CA 1.929 57.566 56.100 -0.771 0.000 0.952 360 R CB -0.799 29.083 30.300 -0.697 0.000 0.850 360 R HN 0.577 nan 8.270 nan 0.000 0.433 361 G N 0.109 108.799 108.800 -0.183 0.000 2.446 361 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 361 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 361 G C 1.520 176.380 174.900 -0.067 0.000 1.168 361 G CA 0.993 46.034 45.100 -0.098 0.000 0.771 361 G HN 0.498 nan 8.290 nan 0.000 0.551 362 A N 0.048 122.840 122.820 -0.048 0.000 1.883 362 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 362 A C 2.640 180.224 177.584 -0.001 0.000 1.186 362 A CA 2.029 54.062 52.037 -0.006 0.000 0.624 362 A CB -0.789 18.226 19.000 0.026 0.000 0.822 362 A HN 0.286 nan 8.150 nan 0.000 0.444 363 V N 0.086 119.993 119.914 -0.011 0.000 2.295 363 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 363 V C 2.618 178.713 176.094 0.002 0.000 1.049 363 V CA 2.188 64.501 62.300 0.021 0.000 1.024 363 V CB -0.718 31.139 31.823 0.057 0.000 0.648 363 V HN 0.597 nan 8.190 nan 0.000 0.447 364 E N 0.063 120.237 120.200 -0.042 0.000 2.097 364 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 364 E C 2.297 178.889 176.600 -0.014 0.000 1.000 364 E CA 2.150 58.530 56.400 -0.033 0.000 0.804 364 E CB -0.183 29.477 29.700 -0.066 0.000 0.740 364 E HN 0.626 nan 8.360 nan 0.000 0.454 365 T N 0.481 115.027 114.554 -0.014 0.000 2.812 365 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 365 T C 1.884 176.587 174.700 0.004 0.000 1.042 365 T CA 1.142 63.238 62.100 -0.006 0.000 1.140 365 T CB -0.192 68.672 68.868 -0.006 0.000 0.870 365 T HN 0.267 nan 8.240 nan 0.000 0.445 366 A N 1.881 124.708 122.820 0.011 0.000 1.908 366 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 366 A C 2.226 179.822 177.584 0.020 0.000 1.181 366 A CA 1.661 53.710 52.037 0.018 0.000 0.627 366 A CB -0.514 18.502 19.000 0.028 0.000 0.818 366 A HN 0.542 nan 8.150 nan 0.000 0.445 367 E N -0.221 119.993 120.200 0.022 0.000 2.047 367 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 367 E C 2.008 178.619 176.600 0.017 0.000 0.987 367 E CA 1.060 57.475 56.400 0.025 0.000 0.799 367 E CB -0.207 29.511 29.700 0.030 0.000 0.752 367 E HN 0.464 nan 8.360 nan 0.000 0.449 368 K N 0.688 121.095 120.400 0.011 0.000 2.059 368 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 368 K C 2.089 178.694 176.600 0.007 0.000 1.050 368 K CA 1.095 57.386 56.287 0.007 0.000 0.927 368 K CB -0.331 32.170 32.500 0.002 0.000 0.714 368 K HN 0.210 nan 8.250 nan 0.000 0.447 369 L N 1.383 122.610 121.223 0.007 0.000 2.611 369 L HA 0.025 4.365 4.340 -0.000 0.000 0.229 369 L C -0.674 176.202 176.870 0.011 0.000 1.137 369 L CA -0.217 54.627 54.840 0.006 0.000 0.901 369 L CB -0.405 41.655 42.059 0.003 0.000 1.098 369 L HN 0.116 nan 8.230 nan 0.000 0.456 370 D N 1.275 121.684 120.400 0.015 0.000 2.890 370 D HA -0.187 4.453 4.640 -0.000 0.000 0.226 370 D C 0.390 176.702 176.300 0.020 0.000 1.207 370 D CA 1.010 55.022 54.000 0.020 0.000 0.764 370 D CB -0.537 40.275 40.800 0.020 0.000 0.948 370 D HN 0.340 nan 8.370 nan 0.000 0.404 371 A N 2.127 124.959 122.820 0.020 0.000 2.309 371 A HA 0.469 4.789 4.320 -0.000 0.000 0.290 371 A C -0.570 177.026 177.584 0.021 0.000 1.206 371 A CA -1.120 50.928 52.037 0.018 0.000 0.850 371 A CB 0.812 19.822 19.000 0.017 0.000 1.118 371 A HN 0.066 nan 8.150 nan 0.000 0.523 372 P HA -0.042 nan 4.420 nan 0.000 0.223 372 P C -0.039 177.268 177.300 0.012 0.000 1.144 372 P CA 0.963 64.073 63.100 0.018 0.000 0.783 372 P CB 0.277 31.984 31.700 0.012 0.000 0.771 373 L N -0.210 121.017 121.223 0.006 0.000 2.513 373 L HA 0.432 4.772 4.340 -0.000 0.000 0.261 373 L C -1.179 175.698 176.870 0.011 0.000 0.945 373 L CA -0.868 53.974 54.840 0.002 0.000 0.848 373 L CB 2.565 44.611 42.059 -0.022 0.000 1.334 373 L HN -0.252 nan 8.230 nan 0.000 0.407 374 I N 4.684 125.269 120.570 0.025 0.000 2.390 374 I HA 0.329 4.499 4.170 -0.000 0.000 0.283 374 I C -0.097 176.052 176.117 0.053 0.000 1.016 374 I CA -0.794 60.531 61.300 0.041 0.000 1.151 374 I CB 1.915 39.949 38.000 0.056 0.000 1.293 374 I HN 0.152 nan 8.210 nan 0.000 0.458 375 V N 7.438 127.384 119.914 0.054 0.000 2.461 375 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 375 V C 0.237 176.484 176.094 0.255 0.000 1.047 375 V CA -0.399 61.958 62.300 0.094 0.000 0.955 375 V CB 1.599 33.412 31.823 -0.015 0.000 0.988 375 V HN 0.396 nan 8.190 nan 0.000 0.471 376 V N 3.843 123.903 119.914 0.243 0.000 2.680 376 V HA 0.807 4.927 4.120 -0.000 0.000 0.309 376 V C 0.222 176.415 176.094 0.165 0.000 1.052 376 V CA -0.633 61.793 62.300 0.210 0.000 0.908 376 V CB 2.029 33.908 31.823 0.094 0.000 1.001 376 V HN 0.969 nan 8.190 nan 0.000 0.431 377 A N 2.926 125.675 122.820 -0.118 0.000 2.288 377 A HA 0.856 5.176 4.320 -0.000 0.000 0.320 377 A C 0.022 177.499 177.584 -0.179 0.000 1.217 377 A CA -0.417 51.475 52.037 -0.241 0.000 0.840 377 A CB 0.844 19.377 19.000 -0.778 0.000 1.179 377 A HN 0.923 nan 8.150 nan 0.000 0.504 378 T N 0.001 114.498 114.554 -0.094 0.000 2.893 378 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 378 T C 0.320 174.982 174.700 -0.064 0.000 1.027 378 T CA -0.631 61.429 62.100 -0.067 0.000 0.988 378 T CB 2.027 70.876 68.868 -0.031 0.000 1.043 378 T HN 0.478 nan 8.240 nan 0.000 0.461 379 Q N 1.554 121.320 119.800 -0.057 0.000 2.287 379 Q HA 0.240 4.580 4.340 -0.000 0.000 0.201 379 Q C 1.742 177.718 176.000 -0.039 0.000 0.946 379 Q CA 1.416 57.188 55.803 -0.051 0.000 0.868 379 Q CB -0.107 28.601 28.738 -0.050 0.000 0.967 379 Q HN 0.974 nan 8.270 nan 0.000 0.516 380 G N -1.404 107.383 108.800 -0.021 0.000 3.519 380 G HA2 0.392 4.352 3.960 -0.000 0.000 0.269 380 G HA3 0.392 4.352 3.960 -0.000 0.000 0.269 380 G C 0.706 175.622 174.900 0.028 0.000 1.028 380 G CA 0.383 45.482 45.100 -0.002 0.000 0.809 380 G HN 0.506 nan 8.290 nan 0.000 0.521 381 G N 0.645 109.453 108.800 0.014 0.000 2.213 381 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 381 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 381 G C 1.242 176.165 174.900 0.039 0.000 0.992 381 G CA 0.603 45.722 45.100 0.032 0.000 0.632 381 G HN 0.479 nan 8.290 nan 0.000 0.511 382 K N 1.045 121.465 120.400 0.033 0.000 2.074 382 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 382 K C 2.812 179.423 176.600 0.018 0.000 1.048 382 K CA 2.095 58.397 56.287 0.025 0.000 0.926 382 K CB -0.254 32.255 32.500 0.015 0.000 0.713 382 K HN 0.666 nan 8.250 nan 0.000 0.444 383 S N 0.209 115.915 115.700 0.010 0.000 2.461 383 S HA 0.070 4.540 4.470 -0.000 0.000 0.228 383 S C 2.137 176.753 174.600 0.026 0.000 1.005 383 S CA 0.508 58.718 58.200 0.016 0.000 0.942 383 S CB 0.115 63.313 63.200 -0.005 0.000 0.776 383 S HN 0.285 nan 8.310 nan 0.000 0.514 384 A N 2.711 125.544 122.820 0.021 0.000 1.873 384 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 384 A C 2.393 179.984 177.584 0.013 0.000 1.186 384 A CA 1.064 53.116 52.037 0.024 0.000 0.616 384 A CB -0.507 18.508 19.000 0.025 0.000 0.823 384 A HN 0.522 nan 8.150 nan 0.000 0.442 385 R N -0.619 119.887 120.500 0.011 0.000 2.148 385 R HA 0.054 4.394 4.340 -0.000 0.000 0.223 385 R C 2.315 178.593 176.300 -0.037 0.000 1.088 385 R CA 0.872 56.964 56.100 -0.014 0.000 0.985 385 R CB -0.300 30.002 30.300 0.003 0.000 0.880 385 R HN 0.514 nan 8.270 nan 0.000 0.451 386 A N 0.593 123.414 122.820 0.002 0.000 1.929 386 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 386 A C 2.211 179.849 177.584 0.089 0.000 1.176 386 A CA 0.947 53.003 52.037 0.031 0.000 0.628 386 A CB -0.177 18.866 19.000 0.071 0.000 0.816 386 A HN 0.088 nan 8.150 nan 0.000 0.444 387 V N 0.312 120.285 119.914 0.098 0.000 2.548 387 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 387 V C 2.621 178.770 176.094 0.091 0.000 1.055 387 V CA 1.724 64.122 62.300 0.164 0.000 1.065 387 V CB -0.782 31.106 31.823 0.109 0.000 0.681 387 V HN 0.599 nan 8.190 nan 0.000 0.462 388 R N 1.362 121.839 120.500 -0.038 0.000 2.115 388 R HA -0.178 4.162 4.340 -0.000 0.000 0.230 388 R C 2.253 178.347 176.300 -0.344 0.000 1.111 388 R CA 1.820 57.823 56.100 -0.161 0.000 0.976 388 R CB -0.346 29.860 30.300 -0.156 0.000 0.870 388 R HN 0.557 nan 8.270 nan 0.000 0.445 389 K N -0.141 120.035 120.400 -0.373 0.000 2.173 389 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 389 K C 0.824 177.074 176.600 -0.584 0.000 1.046 389 K CA 1.740 57.697 56.287 -0.549 0.000 0.929 389 K CB -0.187 31.912 32.500 -0.669 0.000 0.720 389 K HN 0.253 nan 8.250 nan 0.000 0.453 390 Y N -0.552 119.772 120.300 0.040 0.000 2.470 390 Y HA 0.202 4.752 4.550 0.000 0.000 0.284 390 Y C -0.528 175.560 175.900 0.314 0.000 1.188 390 Y CA -0.497 57.715 58.100 0.187 0.000 1.269 390 Y CB -0.266 38.260 38.460 0.109 0.000 1.094 390 Y HN -0.082 nan 8.280 nan 0.000 0.518 391 F N -0.169 119.812 119.950 0.051 0.000 2.866 391 F HA -0.220 4.307 4.527 -0.000 0.000 0.254 391 F C -2.050 173.800 175.800 0.083 0.000 1.009 391 F CA -1.111 56.922 58.000 0.054 0.000 0.907 391 F CB -1.911 37.111 39.000 0.037 0.000 0.859 391 F HN 0.054 nan 8.300 nan 0.000 0.842 392 P HA -0.057 nan 4.420 nan 0.000 0.265 392 P C 0.712 178.082 177.300 0.117 0.000 1.187 392 P CA 0.285 63.468 63.100 0.139 0.000 0.766 392 P CB 0.879 32.642 31.700 0.104 0.000 0.820 393 D N 1.037 121.497 120.400 0.099 0.000 2.144 393 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 393 D C 1.121 177.459 176.300 0.063 0.000 0.978 393 D CA 1.033 55.081 54.000 0.080 0.000 0.833 393 D CB -0.424 40.415 40.800 0.065 0.000 0.961 393 D HN 0.465 nan 8.370 nan 0.000 0.470 394 A N 0.626 123.480 122.820 0.057 0.000 2.386 394 A HA 0.304 4.624 4.320 -0.000 0.000 0.248 394 A C 0.493 178.101 177.584 0.041 0.000 1.082 394 A CA -0.095 51.969 52.037 0.044 0.000 0.789 394 A CB 0.276 19.300 19.000 0.040 0.000 1.025 394 A HN -0.001 nan 8.150 nan 0.000 0.490 395 T N 1.887 116.460 114.554 0.032 0.000 2.884 395 T HA 0.364 4.714 4.350 -0.000 0.000 0.298 395 T C 0.193 174.910 174.700 0.027 0.000 0.998 395 T CA 0.423 62.539 62.100 0.027 0.000 1.124 395 T CB 0.008 68.889 68.868 0.022 0.000 0.931 395 T HN 0.369 nan 8.240 nan 0.000 0.531 396 I N 3.888 124.474 120.570 0.027 0.000 2.312 396 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 396 I C -0.145 175.991 176.117 0.031 0.000 1.031 396 I CA -0.597 60.723 61.300 0.033 0.000 1.293 396 I CB 0.825 38.844 38.000 0.031 0.000 1.403 396 I HN 0.340 nan 8.210 nan 0.000 0.484 397 L N 8.152 129.395 121.223 0.034 0.000 2.255 397 L HA 0.663 5.003 4.340 -0.000 0.000 0.289 397 L C -0.008 176.892 176.870 0.050 0.000 1.046 397 L CA -0.004 54.855 54.840 0.031 0.000 0.816 397 L CB 0.734 42.802 42.059 0.015 0.000 1.197 397 L HN 0.640 nan 8.230 nan 0.000 0.427 398 A N 6.844 129.689 122.820 0.043 0.000 2.271 398 A HA 0.687 5.007 4.320 -0.000 0.000 0.317 398 A C -0.845 176.764 177.584 0.042 0.000 1.245 398 A CA -0.578 51.488 52.037 0.049 0.000 0.857 398 A CB 0.354 19.374 19.000 0.033 0.000 1.175 398 A HN 0.733 nan 8.150 nan 0.000 0.512 399 L N 3.019 124.282 121.223 0.068 0.000 2.282 399 L HA 0.630 4.970 4.340 -0.000 0.000 0.288 399 L C -0.087 176.794 176.870 0.019 0.000 1.033 399 L CA -0.368 54.508 54.840 0.059 0.000 0.807 399 L CB 1.632 43.772 42.059 0.134 0.000 1.209 399 L HN 0.811 nan 8.230 nan 0.000 0.423 400 T N -2.762 111.786 114.554 -0.010 0.000 2.903 400 T HA 0.295 4.645 4.350 -0.000 0.000 0.299 400 T C 0.620 175.295 174.700 -0.042 0.000 1.093 400 T CA -0.438 61.639 62.100 -0.037 0.000 1.002 400 T CB 1.924 70.755 68.868 -0.062 0.000 1.127 400 T HN 0.651 nan 8.240 nan 0.000 0.488 401 T N -2.173 112.352 114.554 -0.047 0.000 3.044 401 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 401 T C 0.603 175.263 174.700 -0.066 0.000 1.081 401 T CA -0.149 61.921 62.100 -0.049 0.000 1.040 401 T CB -0.147 68.697 68.868 -0.040 0.000 0.962 401 T HN 0.564 nan 8.240 nan 0.000 0.506 402 N N 2.313 120.967 118.700 -0.077 0.000 2.408 402 N HA 0.067 4.807 4.740 -0.000 0.000 0.257 402 N C 0.847 176.273 175.510 -0.140 0.000 1.064 402 N CA -0.076 52.918 53.050 -0.093 0.000 0.952 402 N CB 1.304 39.741 38.487 -0.083 0.000 1.093 402 N HN 0.535 nan 8.380 nan 0.000 0.490 403 E N 2.671 122.774 120.200 -0.163 0.000 2.285 403 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 403 E C 1.002 177.360 176.600 -0.405 0.000 0.997 403 E CA 0.568 56.792 56.400 -0.294 0.000 0.845 403 E CB 0.273 29.824 29.700 -0.249 0.000 0.782 403 E HN 0.418 nan 8.360 nan 0.000 0.491 404 K N 1.736 122.014 120.400 -0.203 0.000 2.025 404 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 404 K C 2.385 178.866 176.600 -0.199 0.000 1.049 404 K CA 2.035 58.234 56.287 -0.146 0.000 0.933 404 K CB -0.592 31.823 32.500 -0.140 0.000 0.714 404 K HN 0.192 nan 8.250 nan 0.000 0.438 405 T N -1.562 112.880 114.554 -0.186 0.000 2.867 405 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 405 T C 1.887 176.514 174.700 -0.122 0.000 1.057 405 T CA 1.177 63.188 62.100 -0.148 0.000 1.136 405 T CB -0.420 68.392 68.868 -0.092 0.000 0.874 405 T HN 0.188 nan 8.240 nan 0.000 0.466 406 A N 0.280 122.992 122.820 -0.180 0.000 2.070 406 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 406 A C 2.018 179.527 177.584 -0.126 0.000 1.159 406 A CA 1.671 53.607 52.037 -0.168 0.000 0.656 406 A CB -0.911 17.947 19.000 -0.236 0.000 0.800 406 A HN 0.848 nan 8.150 nan 0.000 0.453 407 H N -1.389 117.633 119.070 -0.081 0.000 2.344 407 H HA 0.012 4.568 4.556 -0.000 0.000 0.307 407 H C 2.256 177.533 175.328 -0.084 0.000 1.057 407 H CA 1.040 57.035 56.048 -0.088 0.000 1.373 407 H CB 0.053 29.729 29.762 -0.143 0.000 1.421 407 H HN 0.539 nan 8.280 nan 0.000 0.532 408 Q N 0.584 120.347 119.800 -0.062 0.000 2.226 408 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 408 Q C 1.954 178.096 176.000 0.237 0.000 0.975 408 Q CA 0.889 56.659 55.803 -0.054 0.000 0.866 408 Q CB 0.108 28.647 28.738 -0.332 0.000 0.915 408 Q HN 0.479 nan 8.270 nan 0.000 0.440 409 L N -0.194 121.097 121.223 0.114 0.000 2.376 409 L HA -0.098 4.242 4.340 -0.000 0.000 0.219 409 L C 2.042 178.980 176.870 0.112 0.000 1.133 409 L CA 0.116 55.020 54.840 0.108 0.000 0.816 409 L CB -0.129 41.961 42.059 0.051 0.000 0.933 409 L HN 0.082 nan 8.230 nan 0.000 0.449 410 V N 0.126 120.120 119.914 0.133 0.000 2.546 410 V HA -0.280 3.840 4.120 -0.000 0.000 0.254 410 V C 2.201 178.371 176.094 0.126 0.000 1.076 410 V CA 1.571 63.947 62.300 0.126 0.000 1.087 410 V CB -0.230 31.680 31.823 0.146 0.000 0.674 410 V HN 0.365 nan 8.190 nan 0.000 0.470 411 L N -0.752 120.576 121.223 0.176 0.000 2.509 411 L HA 0.216 4.556 4.340 -0.000 0.000 0.222 411 L C 1.275 178.170 176.870 0.041 0.000 1.123 411 L CA 0.839 55.735 54.840 0.094 0.000 0.856 411 L CB -0.067 42.007 42.059 0.025 0.000 0.985 411 L HN 0.177 nan 8.230 nan 0.000 0.456 412 S N 0.682 116.419 115.700 0.061 0.000 2.513 412 S HA 0.143 4.613 4.470 -0.000 0.000 0.276 412 S C 0.025 174.621 174.600 -0.007 0.000 1.254 412 S CA -0.453 57.757 58.200 0.017 0.000 1.053 412 S CB 0.778 63.995 63.200 0.028 0.000 0.958 412 S HN 0.143 nan 8.310 nan 0.000 0.491 413 K N 1.906 122.280 120.400 -0.044 0.000 2.437 413 K HA 0.100 4.420 4.320 -0.000 0.000 0.277 413 K C 1.166 177.741 176.600 -0.042 0.000 1.073 413 K CA 0.859 57.118 56.287 -0.048 0.000 1.105 413 K CB -0.369 32.071 32.500 -0.099 0.000 0.881 413 K HN 0.976 nan 8.250 nan 0.000 0.475 414 G N 2.458 111.254 108.800 -0.007 0.000 2.203 414 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 414 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 414 G C -0.083 174.822 174.900 0.007 0.000 1.012 414 G CA 0.470 45.573 45.100 0.005 0.000 0.749 414 G HN 0.656 nan 8.290 nan 0.000 0.512 415 V N -1.083 118.837 119.914 0.010 0.000 2.539 415 V HA 0.792 4.912 4.120 -0.000 0.000 0.292 415 V C 0.240 176.350 176.094 0.027 0.000 1.045 415 V CA -0.676 61.635 62.300 0.019 0.000 0.945 415 V CB 2.114 33.949 31.823 0.021 0.000 0.993 415 V HN 0.538 nan 8.190 nan 0.000 0.464 416 V N 8.583 128.513 119.914 0.027 0.000 2.257 416 V HA 0.395 4.515 4.120 -0.000 0.000 0.269 416 V C -2.103 174.006 176.094 0.024 0.000 1.040 416 V CA -1.526 60.790 62.300 0.027 0.000 0.813 416 V CB 0.982 32.818 31.823 0.022 0.000 1.065 416 V HN 0.911 nan 8.190 nan 0.000 0.457 417 P HA 0.135 nan 4.420 nan 0.000 0.267 417 P C -0.759 176.544 177.300 0.005 0.000 1.200 417 P CA -0.023 63.085 63.100 0.013 0.000 0.772 417 P CB 0.925 32.632 31.700 0.011 0.000 0.855 418 Q N 2.136 121.934 119.800 -0.003 0.000 2.309 418 Q HA 0.444 4.784 4.340 -0.000 0.000 0.254 418 Q C -1.926 174.062 176.000 -0.019 0.000 0.938 418 Q CA -0.689 55.111 55.803 -0.006 0.000 0.789 418 Q CB 0.912 29.654 28.738 0.007 0.000 1.313 418 Q HN 0.265 nan 8.270 nan 0.000 0.438 419 L N 5.724 126.926 121.223 -0.036 0.000 2.281 419 L HA 0.718 5.058 4.340 -0.000 0.000 0.285 419 L C -1.056 175.797 176.870 -0.028 0.000 1.074 419 L CA -0.259 54.551 54.840 -0.050 0.000 0.817 419 L CB 1.066 43.077 42.059 -0.080 0.000 1.168 419 L HN 0.564 nan 8.230 nan 0.000 0.434 420 V N 2.835 122.736 119.914 -0.021 0.000 3.001 420 V HA 0.607 4.727 4.120 -0.000 0.000 0.314 420 V C 0.730 176.815 176.094 -0.014 0.000 1.099 420 V CA -0.690 61.605 62.300 -0.009 0.000 0.989 420 V CB 1.691 33.519 31.823 0.009 0.000 1.040 420 V HN 0.779 nan 8.190 nan 0.000 0.434 421 K N 1.196 121.589 120.400 -0.010 0.000 2.228 421 K HA 0.159 4.479 4.320 -0.000 0.000 0.202 421 K C 0.318 176.910 176.600 -0.013 0.000 1.051 421 K CA 1.215 57.493 56.287 -0.014 0.000 0.960 421 K CB 0.127 32.621 32.500 -0.011 0.000 0.743 421 K HN 1.001 nan 8.250 nan 0.000 0.458 422 E N 0.126 120.322 120.200 -0.007 0.000 2.403 422 E HA 0.415 4.765 4.350 -0.000 0.000 0.280 422 E C -1.567 175.036 176.600 0.005 0.000 1.101 422 E CA -0.844 55.551 56.400 -0.008 0.000 0.856 422 E CB 0.874 30.568 29.700 -0.010 0.000 1.303 422 E HN 0.019 nan 8.360 nan 0.000 0.441 423 I N 1.060 121.631 120.570 0.002 0.000 2.534 423 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 423 I C 0.582 176.694 176.117 -0.010 0.000 1.077 423 I CA -0.516 60.793 61.300 0.015 0.000 1.051 423 I CB 2.382 40.409 38.000 0.046 0.000 1.234 423 I HN 0.785 nan 8.210 nan 0.000 0.425 424 T N -0.340 114.209 114.554 -0.009 0.000 3.037 424 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 424 T C 0.595 175.279 174.700 -0.027 0.000 1.073 424 T CA 0.285 62.374 62.100 -0.018 0.000 1.091 424 T CB 0.043 68.903 68.868 -0.012 0.000 0.935 424 T HN 0.651 nan 8.240 nan 0.000 0.488 425 S N -0.420 115.261 115.700 -0.032 0.000 2.643 425 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 425 S C 0.647 175.197 174.600 -0.084 0.000 1.166 425 S CA -0.307 57.863 58.200 -0.050 0.000 0.815 425 S CB 1.040 64.218 63.200 -0.036 0.000 1.139 425 S HN -0.074 nan 8.310 nan 0.000 0.472 426 T N 1.383 115.858 114.554 -0.132 0.000 2.746 426 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 426 T C 0.953 175.344 174.700 -0.515 0.000 1.039 426 T CA 1.856 63.782 62.100 -0.288 0.000 1.142 426 T CB -0.649 68.083 68.868 -0.228 0.000 0.866 426 T HN 0.648 nan 8.240 nan 0.000 0.444 427 D N 1.179 121.443 120.400 -0.227 0.000 2.183 427 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 427 D C 1.783 178.054 176.300 -0.050 0.000 0.969 427 D CA 0.806 54.761 54.000 -0.074 0.000 0.842 427 D CB -0.215 40.620 40.800 0.057 0.000 0.957 427 D HN 0.333 nan 8.370 nan 0.000 0.484 428 D N 0.487 120.859 120.400 -0.048 0.000 2.149 428 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 428 D C 1.849 178.143 176.300 -0.010 0.000 0.990 428 D CA 0.460 54.451 54.000 -0.015 0.000 0.839 428 D CB -0.380 40.417 40.800 -0.006 0.000 0.948 428 D HN 0.177 nan 8.370 nan 0.000 0.460 429 F N 1.399 121.229 119.950 -0.200 0.000 2.051 429 F HA -0.271 4.255 4.527 -0.000 0.000 0.296 429 F C 2.119 177.856 175.800 -0.105 0.000 1.122 429 F CA 1.293 59.176 58.000 -0.195 0.000 1.201 429 F CB -0.786 38.026 39.000 -0.313 0.000 0.978 429 F HN -0.099 nan 8.300 nan 0.000 0.472 430 Y N 0.705 120.826 120.300 -0.298 0.000 2.207 430 Y HA -0.189 4.361 4.550 -0.000 0.000 0.287 430 Y C 2.809 178.514 175.900 -0.325 0.000 1.156 430 Y CA 1.472 59.287 58.100 -0.475 0.000 1.182 430 Y CB -1.281 37.064 38.460 -0.193 0.000 0.979 430 Y HN 0.113 nan 8.280 nan 0.000 0.521 431 R N 0.573 121.068 120.500 -0.009 0.000 2.066 431 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 431 R C 2.191 178.455 176.300 -0.060 0.000 1.131 431 R CA 1.500 57.597 56.100 -0.005 0.000 0.955 431 R CB -0.814 29.496 30.300 0.018 0.000 0.851 431 R HN 0.421 nan 8.270 nan 0.000 0.432 432 L N 0.579 121.746 121.223 -0.092 0.000 2.131 432 L HA 0.115 4.455 4.340 -0.000 0.000 0.206 432 L C 2.210 178.999 176.870 -0.136 0.000 1.087 432 L CA 2.122 56.912 54.840 -0.083 0.000 0.767 432 L CB -0.940 41.093 42.059 -0.043 0.000 0.917 432 L HN 0.269 nan 8.230 nan 0.000 0.441 433 G N -0.449 108.184 108.800 -0.277 0.000 2.432 433 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 433 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 433 G C 1.569 176.347 174.900 -0.203 0.000 1.135 433 G CA 0.803 45.714 45.100 -0.315 0.000 0.767 433 G HN 0.439 nan 8.290 nan 0.000 0.550 434 K N 0.403 120.700 120.400 -0.172 0.000 2.076 434 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 434 K C 2.266 178.826 176.600 -0.066 0.000 1.051 434 K CA 0.854 57.082 56.287 -0.099 0.000 0.949 434 K CB -0.135 32.334 32.500 -0.052 0.000 0.726 434 K HN 0.335 nan 8.250 nan 0.000 0.443 435 E N 1.450 121.616 120.200 -0.058 0.000 2.038 435 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 435 E C 2.224 178.800 176.600 -0.040 0.000 1.000 435 E CA 1.184 57.561 56.400 -0.038 0.000 0.803 435 E CB -0.256 29.425 29.700 -0.031 0.000 0.750 435 E HN 0.263 nan 8.360 nan 0.000 0.448 436 L N 0.546 121.740 121.223 -0.049 0.000 2.046 436 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 436 L C 2.701 179.541 176.870 -0.051 0.000 1.077 436 L CA 0.955 55.770 54.840 -0.042 0.000 0.747 436 L CB -0.686 41.351 42.059 -0.036 0.000 0.896 436 L HN 0.094 nan 8.230 nan 0.000 0.432 437 A N 0.405 123.184 122.820 -0.069 0.000 1.908 437 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 437 A C 2.310 179.836 177.584 -0.098 0.000 1.181 437 A CA 1.552 53.542 52.037 -0.079 0.000 0.627 437 A CB -0.683 18.265 19.000 -0.088 0.000 0.818 437 A HN 0.338 nan 8.150 nan 0.000 0.445 438 L N -1.167 120.006 121.223 -0.084 0.000 2.005 438 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 438 L C 2.900 179.735 176.870 -0.058 0.000 1.072 438 L CA 1.487 56.276 54.840 -0.084 0.000 0.744 438 L CB -0.523 41.510 42.059 -0.043 0.000 0.895 438 L HN 0.471 nan 8.230 nan 0.000 0.433 439 Q N -0.570 119.208 119.800 -0.036 0.000 2.248 439 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 439 Q C 2.232 178.223 176.000 -0.016 0.000 0.984 439 Q CA 1.865 57.657 55.803 -0.017 0.000 0.875 439 Q CB -0.094 28.635 28.738 -0.015 0.000 0.910 439 Q HN 0.569 nan 8.270 nan 0.000 0.433 440 S N -1.731 113.949 115.700 -0.034 0.000 2.527 440 S HA 0.079 4.549 4.470 -0.000 0.000 0.222 440 S C 1.510 176.098 174.600 -0.020 0.000 0.985 440 S CA 0.710 58.895 58.200 -0.025 0.000 0.921 440 S CB 0.369 63.550 63.200 -0.031 0.000 0.772 440 S HN 0.540 nan 8.310 nan 0.000 0.529 441 G N 1.244 110.021 108.800 -0.039 0.000 2.212 441 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.266 441 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.266 441 G C 0.719 175.594 174.900 -0.043 0.000 0.978 441 G CA 0.633 45.743 45.100 0.015 0.000 0.632 441 G HN 0.546 nan 8.290 nan 0.000 0.537 442 L N -0.007 121.159 121.223 -0.096 0.000 2.093 442 L HA 0.407 4.747 4.340 -0.000 0.000 0.208 442 L C 1.839 178.587 176.870 -0.203 0.000 1.085 442 L CA 1.460 56.251 54.840 -0.081 0.000 0.755 442 L CB -0.391 41.638 42.059 -0.050 0.000 0.904 442 L HN 0.614 nan 8.230 nan 0.000 0.435 443 A N -1.909 120.673 122.820 -0.397 0.000 2.430 443 A HA 0.716 5.036 4.320 -0.000 0.000 0.300 443 A C -1.037 175.997 177.584 -0.916 0.000 1.124 443 A CA -0.561 51.195 52.037 -0.467 0.000 0.766 443 A CB 1.059 19.943 19.000 -0.194 0.000 1.328 443 A HN 0.131 nan 8.150 nan 0.000 0.424 444 H N 0.034 119.107 119.070 0.005 0.000 2.946 444 H HA 0.318 4.874 4.556 -0.000 0.000 0.365 444 H C -0.928 174.402 175.328 0.003 0.000 1.197 444 H CA -0.843 55.208 56.048 0.004 0.000 1.131 444 H CB 1.058 30.823 29.762 0.004 0.000 1.849 444 H HN 0.649 nan 8.280 nan 0.000 0.555 445 K N 0.503 120.971 120.400 0.114 0.000 2.473 445 K HA 0.158 4.478 4.320 -0.000 0.000 0.277 445 K C 0.954 177.588 176.600 0.056 0.000 1.052 445 K CA 1.268 57.591 56.287 0.061 0.000 1.114 445 K CB -0.034 32.497 32.500 0.053 0.000 0.869 445 K HN 0.960 nan 8.250 nan 0.000 0.481 446 G N 2.337 111.157 108.800 0.033 0.000 2.213 446 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.226 446 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.226 446 G C -0.279 174.636 174.900 0.024 0.000 0.992 446 G CA -0.329 44.786 45.100 0.026 0.000 0.632 446 G HN 0.635 nan 8.290 nan 0.000 0.511 447 D N 0.862 121.278 120.400 0.028 0.000 2.382 447 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 447 D C 0.936 177.242 176.300 0.009 0.000 1.120 447 D CA -0.012 53.999 54.000 0.019 0.000 0.890 447 D CB 1.770 42.576 40.800 0.011 0.000 1.201 447 D HN 0.134 nan 8.370 nan 0.000 0.433 448 V N 2.446 122.366 119.914 0.010 0.000 2.715 448 V HA 0.171 4.291 4.120 -0.000 0.000 0.299 448 V C 0.488 176.587 176.094 0.008 0.000 1.054 448 V CA -0.105 62.200 62.300 0.009 0.000 1.077 448 V CB 1.618 33.445 31.823 0.006 0.000 0.972 448 V HN 0.228 nan 8.190 nan 0.000 0.484 449 V N 5.098 125.021 119.914 0.015 0.000 2.623 449 V HA 0.384 4.504 4.120 -0.000 0.000 0.304 449 V C -0.455 175.646 176.094 0.011 0.000 1.054 449 V CA -0.487 61.813 62.300 0.001 0.000 0.882 449 V CB 2.388 34.197 31.823 -0.024 0.000 1.002 449 V HN 0.617 nan 8.190 nan 0.000 0.424 450 V N 6.348 126.270 119.914 0.013 0.000 2.481 450 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 450 V C 0.051 176.166 176.094 0.035 0.000 1.042 450 V CA -0.379 61.936 62.300 0.025 0.000 0.928 450 V CB 1.621 33.463 31.823 0.032 0.000 0.986 450 V HN 0.776 nan 8.190 nan 0.000 0.462 451 M N 4.830 124.464 119.600 0.057 0.000 2.197 451 M HA 0.569 5.049 4.480 -0.000 0.000 0.301 451 M C -1.397 175.103 176.300 0.335 0.000 0.987 451 M CA -0.567 54.839 55.300 0.176 0.000 0.921 451 M CB 2.071 34.702 32.600 0.051 0.000 1.569 451 M HN 0.355 nan 8.290 nan 0.000 0.431 452 V N 2.504 122.622 119.914 0.340 0.000 2.540 452 V HA 0.793 4.913 4.120 -0.000 0.000 0.302 452 V C -0.223 175.898 176.094 0.045 0.000 1.035 452 V CA -0.353 62.060 62.300 0.188 0.000 0.873 452 V CB 1.870 33.761 31.823 0.112 0.000 0.992 452 V HN 1.073 nan 8.190 nan 0.000 0.428 453 S N 2.770 118.448 115.700 -0.036 0.000 2.672 453 S HA 0.848 5.318 4.470 -0.000 0.000 0.271 453 S C -0.354 174.174 174.600 -0.120 0.000 1.171 453 S CA -0.336 57.729 58.200 -0.224 0.000 0.817 453 S CB 1.570 64.431 63.200 -0.564 0.000 1.150 453 S HN 1.123 nan 8.310 nan 0.000 0.478 454 G N -0.542 108.168 108.800 -0.149 0.000 2.400 454 G HA2 0.760 4.720 3.960 -0.000 0.000 0.333 454 G HA3 0.760 4.720 3.960 -0.000 0.000 0.333 454 G C -0.712 174.133 174.900 -0.092 0.000 1.143 454 G CA -0.591 44.456 45.100 -0.088 0.000 0.914 454 G HN 1.359 nan 8.290 nan 0.000 0.480 455 A N 1.604 124.394 122.820 -0.050 0.000 2.381 455 A HA 0.634 4.954 4.320 -0.000 0.000 0.299 455 A C 0.468 178.037 177.584 -0.025 0.000 1.049 455 A CA -0.585 51.427 52.037 -0.041 0.000 0.715 455 A CB 0.616 19.608 19.000 -0.014 0.000 1.222 455 A HN 1.447 nan 8.150 nan 0.000 0.428 456 L N 0.601 121.807 121.223 -0.028 0.000 4.001 456 L HA -0.219 4.121 4.340 -0.000 0.000 0.413 456 L C 0.187 177.045 176.870 -0.020 0.000 1.185 456 L CA 0.830 55.658 54.840 -0.020 0.000 0.963 456 L CB -2.517 39.536 42.059 -0.010 0.000 1.976 456 L HN 1.020 nan 8.230 nan 0.000 0.939 457 V N -3.048 116.850 119.914 -0.027 0.000 2.876 457 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 457 V C -1.770 174.306 176.094 -0.030 0.000 1.085 457 V CA -1.483 60.803 62.300 -0.025 0.000 0.945 457 V CB 1.736 33.545 31.823 -0.023 0.000 1.017 457 V HN 0.113 nan 8.190 nan 0.000 0.428 458 P HA 0.242 nan 4.420 nan 0.000 0.272 458 P C 1.151 178.434 177.300 -0.029 0.000 1.223 458 P CA 0.204 63.288 63.100 -0.026 0.000 0.784 458 P CB 1.445 33.133 31.700 -0.020 0.000 0.923 459 S N 2.064 117.745 115.700 -0.031 0.000 2.574 459 S HA -0.285 4.185 4.470 -0.000 0.000 0.307 459 S C 2.009 176.594 174.600 -0.025 0.000 1.244 459 S CA 2.381 60.562 58.200 -0.031 0.000 1.144 459 S CB -1.225 61.961 63.200 -0.024 0.000 1.130 459 S HN 0.843 nan 8.310 nan 0.000 0.444 460 G N -0.623 108.167 108.800 -0.018 0.000 2.470 460 G HA2 0.015 3.975 3.960 -0.000 0.000 0.220 460 G HA3 0.015 3.975 3.960 -0.000 0.000 0.220 460 G C 0.380 175.274 174.900 -0.010 0.000 1.121 460 G CA 1.255 46.348 45.100 -0.012 0.000 0.766 460 G HN 0.574 nan 8.290 nan 0.000 0.553 461 T N 0.291 114.836 114.554 -0.015 0.000 2.824 461 T HA 0.493 4.843 4.350 -0.000 0.000 0.282 461 T C -0.691 174.000 174.700 -0.015 0.000 0.993 461 T CA -0.378 61.716 62.100 -0.010 0.000 0.967 461 T CB 2.040 70.903 68.868 -0.009 0.000 0.960 461 T HN -0.126 nan 8.240 nan 0.000 0.441 462 T N 3.035 117.586 114.554 -0.004 0.000 2.801 462 T HA 0.299 4.649 4.350 -0.000 0.000 0.306 462 T C 1.111 175.816 174.700 0.009 0.000 1.020 462 T CA -0.732 61.366 62.100 -0.003 0.000 0.948 462 T CB -0.179 68.695 68.868 0.009 0.000 0.962 462 T HN 0.823 nan 8.240 nan 0.000 0.465 463 N N 1.024 119.728 118.700 0.006 0.000 2.143 463 N HA 0.092 4.832 4.740 -0.000 0.000 0.222 463 N C 0.201 175.730 175.510 0.030 0.000 1.264 463 N CA -0.569 52.490 53.050 0.015 0.000 0.897 463 N CB 0.976 39.469 38.487 0.009 0.000 1.092 463 N HN 0.436 nan 8.380 nan 0.000 0.516 464 T N -0.491 114.089 114.554 0.043 0.000 2.916 464 T HA 0.739 5.089 4.350 -0.000 0.000 0.298 464 T C -1.761 173.010 174.700 0.119 0.000 1.031 464 T CA -0.496 61.654 62.100 0.083 0.000 0.993 464 T CB 1.851 70.784 68.868 0.109 0.000 1.045 464 T HN 0.255 nan 8.240 nan 0.000 0.454 465 A N 2.584 125.477 122.820 0.121 0.000 2.449 465 A HA 0.873 5.193 4.320 -0.000 0.000 0.302 465 A C -0.493 177.147 177.584 0.094 0.000 1.048 465 A CA -0.737 51.372 52.037 0.121 0.000 0.708 465 A CB 1.994 21.037 19.000 0.071 0.000 1.274 465 A HN 1.108 nan 8.150 nan 0.000 0.410 466 S N 0.728 116.464 115.700 0.060 0.000 2.548 466 S HA 0.646 5.116 4.470 -0.000 0.000 0.276 466 S C -1.230 173.379 174.600 0.016 0.000 1.129 466 S CA -0.393 57.780 58.200 -0.044 0.000 0.931 466 S CB 1.390 64.371 63.200 -0.366 0.000 1.068 466 S HN 1.077 nan 8.310 nan 0.000 0.480 467 V N 4.869 124.793 119.914 0.017 0.000 2.472 467 V HA 0.588 4.708 4.120 -0.000 0.000 0.290 467 V C -0.879 175.227 176.094 0.020 0.000 1.037 467 V CA -0.462 61.863 62.300 0.041 0.000 0.908 467 V CB 1.273 33.087 31.823 -0.015 0.000 0.985 467 V HN 0.954 nan 8.190 nan 0.000 0.454 468 H N 1.453 120.448 119.070 -0.124 0.000 2.806 468 H HA 0.657 5.213 4.556 0.000 0.000 0.367 468 H C -0.810 174.473 175.328 -0.074 0.000 1.136 468 H CA -0.497 55.481 56.048 -0.116 0.000 1.178 468 H CB 2.115 31.792 29.762 -0.141 0.000 1.718 468 H HN 0.420 nan 8.280 nan 0.000 0.540 469 V N 4.296 124.212 119.914 0.004 0.000 2.427 469 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 469 V C 0.469 176.573 176.094 0.017 0.000 1.034 469 V CA -0.668 61.634 62.300 0.004 0.000 0.893 469 V CB 1.215 33.026 31.823 -0.019 0.000 0.982 469 V HN 0.546 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.231 121.223 0.013 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.845 54.840 0.008 0.000 0.813 470 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502