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 3ibb_1_D DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYAVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.325 176.300 0.041 0.000 2.045 10 D CA 0.000 54.018 54.000 0.030 0.000 0.868 10 D CB 0.000 40.821 40.800 0.035 0.000 0.688 11 I N -0.672 119.948 120.570 0.084 0.000 4.228 11 I HA 0.333 4.503 4.170 -0.000 0.000 0.298 11 I C 1.478 177.637 176.117 0.070 0.000 1.206 11 I CA 0.977 62.316 61.300 0.065 0.000 1.322 11 I CB -0.568 37.467 38.000 0.059 0.000 1.411 11 I HN 0.491 nan 8.210 nan 0.000 0.454 12 H N 1.026 120.087 119.070 -0.014 0.000 2.387 12 H HA 0.000 4.556 4.556 -0.000 0.000 0.299 12 H C 0.836 176.156 175.328 -0.013 0.000 1.099 12 H CA 1.570 57.610 56.048 -0.013 0.000 1.315 12 H CB -0.866 28.890 29.762 -0.011 0.000 1.380 12 H HN 0.429 nan 8.280 nan 0.000 0.513 13 T N -2.342 112.285 114.554 0.121 0.000 2.913 13 T HA 0.042 4.392 4.350 -0.000 0.000 0.297 13 T C 1.519 176.237 174.700 0.030 0.000 1.029 13 T CA -0.025 62.111 62.100 0.060 0.000 1.104 13 T CB 1.403 70.296 68.868 0.041 0.000 0.964 13 T HN 0.132 nan 8.240 nan 0.000 0.532 14 T N 2.348 116.912 114.554 0.018 0.000 2.777 14 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 14 T C 2.369 177.071 174.700 0.002 0.000 1.040 14 T CA 1.413 63.516 62.100 0.006 0.000 1.141 14 T CB -0.769 68.101 68.868 0.004 0.000 0.868 14 T HN 0.841 nan 8.240 nan 0.000 0.444 15 A N 1.192 124.015 122.820 0.005 0.000 1.933 15 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 15 A C 2.579 180.163 177.584 0.001 0.000 1.175 15 A CA 1.848 53.886 52.037 0.002 0.000 0.628 15 A CB -1.258 17.744 19.000 0.003 0.000 0.814 15 A HN 0.514 nan 8.150 nan 0.000 0.444 16 G N -0.233 108.571 108.800 0.006 0.000 2.418 16 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 16 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 16 G C 1.669 176.567 174.900 -0.004 0.000 1.158 16 G CA 1.059 46.163 45.100 0.006 0.000 0.771 16 G HN 0.582 nan 8.290 nan 0.000 0.545 17 K N -0.187 120.208 120.400 -0.009 0.000 2.057 17 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 17 K C 2.405 178.988 176.600 -0.028 0.000 1.049 17 K CA 0.878 57.151 56.287 -0.025 0.000 0.931 17 K CB -0.325 32.157 32.500 -0.030 0.000 0.714 17 K HN 0.200 nan 8.250 nan 0.000 0.440 18 L N 1.020 122.232 121.223 -0.017 0.000 2.129 18 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 18 L C 2.427 179.288 176.870 -0.016 0.000 1.087 18 L CA 1.626 56.458 54.840 -0.015 0.000 0.757 18 L CB -0.779 41.275 42.059 -0.008 0.000 0.896 18 L HN 0.171 nan 8.230 nan 0.000 0.434 19 A N -0.383 122.428 122.820 -0.015 0.000 1.908 19 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 19 A C 2.055 179.624 177.584 -0.025 0.000 1.181 19 A CA 2.059 54.087 52.037 -0.016 0.000 0.627 19 A CB -0.591 18.403 19.000 -0.011 0.000 0.818 19 A HN 0.399 nan 8.150 nan 0.000 0.445 20 D N 0.033 120.413 120.400 -0.032 0.000 2.144 20 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 20 D C 1.974 178.232 176.300 -0.069 0.000 0.978 20 D CA 1.626 55.597 54.000 -0.049 0.000 0.833 20 D CB -0.437 40.329 40.800 -0.057 0.000 0.961 20 D HN 0.521 nan 8.370 nan 0.000 0.470 21 L N -0.016 121.171 121.223 -0.060 0.000 2.083 21 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 21 L C 2.092 178.955 176.870 -0.010 0.000 1.083 21 L CA 1.406 56.218 54.840 -0.046 0.000 0.752 21 L CB -1.056 40.999 42.059 -0.006 0.000 0.899 21 L HN -0.221 nan 8.230 nan 0.000 0.433 22 R N 0.042 120.531 120.500 -0.018 0.000 2.096 22 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 22 R C 2.570 178.843 176.300 -0.044 0.000 1.127 22 R CA 1.559 57.647 56.100 -0.021 0.000 0.968 22 R CB -0.528 29.758 30.300 -0.023 0.000 0.861 22 R HN 0.499 nan 8.270 nan 0.000 0.440 23 R N 1.199 121.667 120.500 -0.054 0.000 2.081 23 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 23 R C 1.774 178.016 176.300 -0.096 0.000 1.131 23 R CA 1.676 57.734 56.100 -0.070 0.000 0.960 23 R CB -0.099 30.167 30.300 -0.056 0.000 0.856 23 R HN 0.180 nan 8.270 nan 0.000 0.436 24 R N 0.236 120.671 120.500 -0.109 0.000 2.148 24 R HA 0.064 4.404 4.340 -0.000 0.000 0.223 24 R C 2.369 178.706 176.300 0.062 0.000 1.088 24 R CA 1.108 57.105 56.100 -0.170 0.000 0.985 24 R CB -0.130 29.960 30.300 -0.351 0.000 0.880 24 R HN 0.331 nan 8.270 nan 0.000 0.451 25 I N 0.598 121.217 120.570 0.082 0.000 2.226 25 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 25 I C 2.339 178.403 176.117 -0.088 0.000 1.100 25 I CA 1.335 62.635 61.300 -0.000 0.000 1.374 25 I CB -0.453 37.548 38.000 0.002 0.000 1.057 25 I HN 0.142 nan 8.210 nan 0.000 0.413 26 E N 1.657 121.781 120.200 -0.127 0.000 2.110 26 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 26 E C 1.994 178.416 176.600 -0.296 0.000 0.988 26 E CA 1.468 57.714 56.400 -0.257 0.000 0.804 26 E CB -0.041 29.513 29.700 -0.243 0.000 0.745 26 E HN 0.440 nan 8.360 nan 0.000 0.458 27 E N -0.098 120.002 120.200 -0.166 0.000 2.051 27 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 27 E C 2.081 178.691 176.600 0.018 0.000 0.991 27 E CA 1.005 57.368 56.400 -0.063 0.000 0.799 27 E CB -0.245 29.434 29.700 -0.035 0.000 0.748 27 E HN 0.393 nan 8.360 nan 0.000 0.449 28 A N 1.346 124.126 122.820 -0.067 0.000 1.877 28 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 28 A C 2.512 180.133 177.584 0.062 0.000 1.186 28 A CA 2.378 54.416 52.037 0.002 0.000 0.620 28 A CB -1.193 17.690 19.000 -0.196 0.000 0.822 28 A HN 0.426 nan 8.150 nan 0.000 0.443 29 T N -2.100 112.490 114.554 0.060 0.000 2.737 29 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 29 T C 0.762 175.631 174.700 0.281 0.000 1.038 29 T CA 1.339 63.529 62.100 0.151 0.000 1.144 29 T CB -0.744 68.233 68.868 0.181 0.000 0.866 29 T HN 0.515 nan 8.240 nan 0.000 0.434 30 H N 1.536 120.604 119.070 -0.004 0.000 2.923 30 H HA 0.771 5.327 4.556 -0.000 0.000 0.251 30 H C 1.030 176.368 175.328 0.016 0.000 1.741 30 H CA -0.786 55.264 56.048 0.002 0.000 1.387 30 H CB -0.335 29.429 29.762 0.003 0.000 1.740 30 H HN 0.493 nan 8.280 nan 0.000 0.544 31 A N 2.054 124.945 122.820 0.119 0.000 1.942 31 A HA 0.268 4.588 4.320 -0.000 0.000 0.209 31 A C 1.747 179.323 177.584 -0.014 0.000 1.214 31 A CA 0.485 52.563 52.037 0.068 0.000 0.686 31 A CB -0.325 18.716 19.000 0.068 0.000 0.871 31 A HN 0.630 nan 8.150 nan 0.000 0.460 32 G N 0.128 108.903 108.800 -0.042 0.000 2.491 32 G HA2 0.366 4.326 3.960 -0.000 0.000 0.238 32 G HA3 0.366 4.326 3.960 -0.000 0.000 0.238 32 G C 0.275 175.129 174.900 -0.077 0.000 1.277 32 G CA 0.540 45.587 45.100 -0.088 0.000 0.851 32 G HN 0.352 nan 8.290 nan 0.000 0.573 33 S N 0.358 116.000 115.700 -0.097 0.000 2.568 33 S HA 0.310 4.780 4.470 -0.000 0.000 0.282 33 S C 1.798 176.354 174.600 -0.072 0.000 1.338 33 S CA 0.208 58.365 58.200 -0.073 0.000 1.045 33 S CB 0.715 63.868 63.200 -0.078 0.000 0.873 33 S HN 1.095 nan 8.310 nan 0.000 0.516 34 A N 4.921 127.713 122.820 -0.046 0.000 1.940 34 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 34 A C 2.051 179.597 177.584 -0.064 0.000 1.176 34 A CA 1.896 53.905 52.037 -0.046 0.000 0.631 34 A CB -0.683 18.306 19.000 -0.018 0.000 0.814 34 A HN 1.010 nan 8.150 nan 0.000 0.446 35 R N -0.284 120.181 120.500 -0.058 0.000 2.096 35 R HA 0.083 4.423 4.340 -0.000 0.000 0.235 35 R C 2.111 178.358 176.300 -0.088 0.000 1.127 35 R CA 1.594 57.658 56.100 -0.060 0.000 0.968 35 R CB -0.770 29.501 30.300 -0.047 0.000 0.861 35 R HN 0.273 nan 8.270 nan 0.000 0.440 36 A N 1.414 124.166 122.820 -0.114 0.000 1.902 36 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 36 A C 2.431 179.889 177.584 -0.211 0.000 1.181 36 A CA 1.635 53.581 52.037 -0.152 0.000 0.623 36 A CB -0.611 18.289 19.000 -0.167 0.000 0.818 36 A HN 0.183 nan 8.150 nan 0.000 0.443 37 V N -0.145 119.620 119.914 -0.249 0.000 2.332 37 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 37 V C 2.552 178.269 176.094 -0.628 0.000 1.055 37 V CA 2.420 64.437 62.300 -0.472 0.000 1.038 37 V CB -0.829 30.818 31.823 -0.294 0.000 0.651 37 V HN 0.597 nan 8.190 nan 0.000 0.450 38 E N 0.462 120.509 120.200 -0.255 0.000 2.047 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 38 E C 2.226 178.794 176.600 -0.053 0.000 0.987 38 E CA 1.545 57.884 56.400 -0.102 0.000 0.799 38 E CB -0.291 29.386 29.700 -0.038 0.000 0.752 38 E HN 0.595 nan 8.360 nan 0.000 0.449 39 K N 0.020 120.383 120.400 -0.062 0.000 2.057 39 K HA -0.256 4.064 4.320 -0.000 0.000 0.207 39 K C 2.224 178.841 176.600 0.027 0.000 1.049 39 K CA 1.691 57.971 56.287 -0.012 0.000 0.931 39 K CB -0.108 32.377 32.500 -0.025 0.000 0.714 39 K HN 0.001 nan 8.250 nan 0.000 0.440 40 Q N 0.244 120.038 119.800 -0.010 0.000 2.046 40 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 40 Q C 1.585 177.673 176.000 0.148 0.000 0.975 40 Q CA 2.051 57.906 55.803 0.085 0.000 0.836 40 Q CB -0.234 28.537 28.738 0.055 0.000 0.896 40 Q HN 0.647 nan 8.270 nan 0.000 0.428 41 H N -0.920 118.179 119.070 0.050 0.000 2.389 41 H HA 0.001 4.557 4.556 -0.000 0.000 0.299 41 H C 1.856 177.201 175.328 0.029 0.000 1.081 41 H CA 0.493 56.558 56.048 0.028 0.000 1.345 41 H CB 0.061 29.828 29.762 0.008 0.000 1.393 41 H HN 0.456 nan 8.280 nan 0.000 0.520 42 A N 1.641 124.551 122.820 0.150 0.000 1.902 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 42 A C 2.115 179.746 177.584 0.079 0.000 1.181 42 A CA 1.533 53.626 52.037 0.094 0.000 0.623 42 A CB -0.254 18.785 19.000 0.064 0.000 0.818 42 A HN 0.330 nan 8.150 nan 0.000 0.443 43 K N -1.905 118.549 120.400 0.090 0.000 2.097 43 K HA 0.037 4.357 4.320 -0.000 0.000 0.206 43 K C 1.265 177.907 176.600 0.069 0.000 1.049 43 K CA 1.037 57.372 56.287 0.081 0.000 0.933 43 K CB -0.167 32.393 32.500 0.100 0.000 0.717 43 K HN 0.688 nan 8.250 nan 0.000 0.442 44 G N 0.623 109.471 108.800 0.080 0.000 2.559 44 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.202 44 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.202 44 G C -0.432 174.499 174.900 0.052 0.000 0.992 44 G CA -0.629 44.505 45.100 0.055 0.000 0.764 44 G HN 0.075 nan 8.290 nan 0.000 0.525 45 K N -0.173 120.279 120.400 0.087 0.000 2.219 45 K HA 0.645 4.965 4.320 -0.000 0.000 0.258 45 K C -0.231 176.436 176.600 0.112 0.000 1.008 45 K CA -0.128 56.210 56.287 0.085 0.000 0.928 45 K CB 0.652 33.213 32.500 0.103 0.000 0.983 45 K HN 0.061 nan 8.250 nan 0.000 0.484 46 L N 0.854 122.118 121.223 0.068 0.000 2.354 46 L HA 0.287 4.627 4.340 -0.000 0.000 0.269 46 L C -0.136 176.783 176.870 0.081 0.000 1.005 46 L CA -0.399 54.458 54.840 0.028 0.000 0.819 46 L CB 1.808 43.834 42.059 -0.056 0.000 1.311 46 L HN 0.601 nan 8.230 nan 0.000 0.423 47 T N 1.340 115.967 114.554 0.122 0.000 2.946 47 T HA 0.059 4.409 4.350 -0.000 0.000 0.312 47 T C 1.413 176.131 174.700 0.031 0.000 1.066 47 T CA 0.521 62.714 62.100 0.154 0.000 1.138 47 T CB 0.822 69.784 68.868 0.156 0.000 1.014 47 T HN 0.766 nan 8.240 nan 0.000 0.544 48 A N 3.542 126.376 122.820 0.024 0.000 1.940 48 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 48 A C 2.346 179.881 177.584 -0.081 0.000 1.176 48 A CA 1.604 53.629 52.037 -0.019 0.000 0.631 48 A CB -0.472 18.527 19.000 -0.001 0.000 0.814 48 A HN 0.838 nan 8.150 nan 0.000 0.446 49 R N -0.535 119.910 120.500 -0.092 0.000 2.115 49 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 49 R C 1.982 178.182 176.300 -0.168 0.000 1.111 49 R CA 1.254 57.249 56.100 -0.174 0.000 0.976 49 R CB -0.171 30.038 30.300 -0.152 0.000 0.870 49 R HN 0.597 nan 8.270 nan 0.000 0.445 50 E N 0.211 120.349 120.200 -0.103 0.000 2.118 50 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 50 E C 2.037 178.571 176.600 -0.110 0.000 0.992 50 E CA 1.260 57.599 56.400 -0.102 0.000 0.804 50 E CB -0.011 29.637 29.700 -0.088 0.000 0.741 50 E HN 0.378 nan 8.360 nan 0.000 0.458 51 R N 0.277 120.715 120.500 -0.104 0.000 2.073 51 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 51 R C 2.545 178.770 176.300 -0.125 0.000 1.134 51 R CA 1.249 57.290 56.100 -0.098 0.000 0.952 51 R CB -0.403 29.846 30.300 -0.085 0.000 0.850 51 R HN 0.169 nan 8.270 nan 0.000 0.433 52 I N 0.973 121.430 120.570 -0.188 0.000 2.226 52 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 52 I C 1.538 177.531 176.117 -0.207 0.000 1.100 52 I CA 1.209 62.369 61.300 -0.234 0.000 1.374 52 I CB -0.375 37.348 38.000 -0.461 0.000 1.057 52 I HN 0.048 nan 8.210 nan 0.000 0.413 53 D N 0.960 121.227 120.400 -0.222 0.000 2.123 53 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 53 D C 2.270 178.515 176.300 -0.092 0.000 0.992 53 D CA 1.129 55.038 54.000 -0.152 0.000 0.833 53 D CB -0.226 40.493 40.800 -0.134 0.000 0.954 53 D HN 0.289 nan 8.370 nan 0.000 0.455 54 L N 0.226 121.395 121.223 -0.090 0.000 2.017 54 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 54 L C 2.278 179.121 176.870 -0.046 0.000 1.073 54 L CA 0.845 55.648 54.840 -0.061 0.000 0.745 54 L CB -0.140 41.884 42.059 -0.058 0.000 0.894 54 L HN 0.088 nan 8.230 nan 0.000 0.432 55 L N 0.206 121.399 121.223 -0.050 0.000 2.056 55 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 55 L C 0.466 177.327 176.870 -0.016 0.000 1.078 55 L CA 1.532 56.353 54.840 -0.031 0.000 0.749 55 L CB -0.242 41.797 42.059 -0.033 0.000 0.901 55 L HN 0.098 nan 8.230 nan 0.000 0.433 56 L N -0.885 120.333 121.223 -0.008 0.000 2.365 56 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 56 L C -0.624 176.258 176.870 0.020 0.000 1.000 56 L CA -1.043 53.811 54.840 0.022 0.000 0.819 56 L CB 1.044 43.144 42.059 0.068 0.000 1.284 56 L HN -0.159 nan 8.230 nan 0.000 0.418 57 D N 1.326 121.739 120.400 0.021 0.000 2.400 57 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 57 D C 0.033 176.340 176.300 0.013 0.000 1.157 57 D CA -0.034 53.972 54.000 0.010 0.000 0.889 57 D CB 1.044 41.849 40.800 0.010 0.000 1.199 57 D HN 0.691 nan 8.370 nan 0.000 0.436 58 E N -0.253 119.948 120.200 0.003 0.000 2.452 58 E HA 0.196 4.546 4.350 -0.000 0.000 0.261 58 E C 0.830 177.435 176.600 0.010 0.000 0.987 58 E CA 0.270 56.671 56.400 0.001 0.000 0.926 58 E CB 0.109 29.806 29.700 -0.006 0.000 0.934 58 E HN 0.621 nan 8.360 nan 0.000 0.452 59 G N 3.138 111.947 108.800 0.015 0.000 2.283 59 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.280 59 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.280 59 G C 0.614 175.524 174.900 0.017 0.000 1.029 59 G CA 0.733 45.844 45.100 0.019 0.000 0.840 59 G HN 0.542 nan 8.290 nan 0.000 0.505 60 S N -1.531 114.190 115.700 0.035 0.000 2.524 60 S HA 0.386 4.856 4.470 -0.000 0.000 0.222 60 S C 0.869 175.455 174.600 -0.023 0.000 1.040 60 S CA 0.061 58.272 58.200 0.019 0.000 0.915 60 S CB 0.023 63.249 63.200 0.043 0.000 0.831 60 S HN 0.828 nan 8.310 nan 0.000 0.492 61 F N 3.177 123.042 119.950 -0.141 0.000 2.578 61 F HA 0.449 4.976 4.527 -0.000 0.000 0.376 61 F C -0.526 175.071 175.800 -0.338 0.000 1.085 61 F CA -0.054 57.824 58.000 -0.203 0.000 1.260 61 F CB 0.755 39.675 39.000 -0.133 0.000 1.095 61 F HN -0.136 nan 8.300 nan 0.000 0.573 62 V N 6.294 125.423 119.914 -1.309 0.000 2.487 62 V HA 0.205 4.325 4.120 -0.000 0.000 0.298 62 V C -0.243 174.989 176.094 -1.436 0.000 1.028 62 V CA -1.033 60.475 62.300 -1.320 0.000 0.860 62 V CB 1.523 32.312 31.823 -1.724 0.000 0.991 62 V HN 0.746 nan 8.190 nan 0.000 0.427 63 E N 3.507 123.110 120.200 -0.996 0.000 2.392 63 E HA 0.420 4.770 4.350 -0.000 0.000 0.264 63 E C -1.163 175.243 176.600 -0.322 0.000 1.024 63 E CA 0.026 56.068 56.400 -0.597 0.000 0.903 63 E CB 0.690 30.238 29.700 -0.253 0.000 0.963 63 E HN 0.510 nan 8.360 nan 0.000 0.432 64 L N 3.387 124.508 121.223 -0.171 0.000 2.386 64 L HA 0.326 4.666 4.340 -0.000 0.000 0.271 64 L C -0.702 176.151 176.870 -0.028 0.000 0.993 64 L CA -0.892 53.903 54.840 -0.076 0.000 0.819 64 L CB 1.829 43.858 42.059 -0.049 0.000 1.294 64 L HN 0.580 nan 8.230 nan 0.000 0.414 65 D N 0.836 121.230 120.400 -0.010 0.000 2.723 65 D HA -0.216 4.424 4.640 -0.000 0.000 0.236 65 D C 1.093 177.396 176.300 0.005 0.000 1.138 65 D CA 1.322 55.340 54.000 0.031 0.000 0.676 65 D CB -0.591 40.238 40.800 0.049 0.000 1.069 65 D HN 0.800 nan 8.370 nan 0.000 0.430 66 E N -1.035 119.100 120.200 -0.109 0.000 2.077 66 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 66 E C 1.575 178.056 176.600 -0.197 0.000 0.989 66 E CA 1.070 57.330 56.400 -0.233 0.000 0.800 66 E CB -0.010 29.401 29.700 -0.482 0.000 0.746 66 E HN 0.400 nan 8.360 nan 0.000 0.452 67 F N 1.062 121.089 119.950 0.128 0.000 2.270 67 F HA 0.227 4.754 4.527 -0.000 0.000 0.295 67 F C 1.325 177.255 175.800 0.218 0.000 1.087 67 F CA 0.403 58.570 58.000 0.278 0.000 1.365 67 F CB -0.681 38.472 39.000 0.256 0.000 1.056 67 F HN -0.076 nan 8.300 nan 0.000 0.506 68 A N 1.636 124.623 122.820 0.279 0.000 2.540 68 A HA 0.359 4.679 4.320 -0.000 0.000 0.239 68 A C 0.401 178.056 177.584 0.118 0.000 1.061 68 A CA 0.080 52.225 52.037 0.181 0.000 0.758 68 A CB -0.033 19.042 19.000 0.125 0.000 0.991 68 A HN 0.367 nan 8.150 nan 0.000 0.502 69 R N 0.421 120.951 120.500 0.051 0.000 2.795 69 R HA 0.429 4.769 4.340 -0.000 0.000 0.275 69 R C -0.779 175.504 176.300 -0.028 0.000 0.981 69 R CA -0.902 55.184 56.100 -0.023 0.000 0.917 69 R CB 1.505 31.689 30.300 -0.193 0.000 1.202 69 R HN 1.008 nan 8.270 nan 0.000 0.469 70 H N -0.267 118.827 119.070 0.040 0.000 2.607 70 H HA 0.232 4.788 4.556 -0.000 0.000 0.367 70 H C 0.153 175.488 175.328 0.013 0.000 1.181 70 H CA -0.391 55.681 56.048 0.039 0.000 1.402 70 H CB 0.932 30.729 29.762 0.059 0.000 1.474 70 H HN 0.410 nan 8.280 nan 0.000 0.596 71 R N 1.026 121.690 120.500 0.274 0.000 2.468 71 R HA 0.162 4.502 4.340 -0.000 0.000 0.280 71 R C -0.274 176.110 176.300 0.140 0.000 0.963 71 R CA 0.016 56.195 56.100 0.132 0.000 1.083 71 R CB 0.521 30.862 30.300 0.068 0.000 1.200 71 R HN 0.565 nan 8.270 nan 0.000 0.541 72 S N -0.025 115.831 115.700 0.261 0.000 2.456 72 S HA 0.108 4.578 4.470 -0.000 0.000 0.316 72 S C 1.240 175.887 174.600 0.078 0.000 1.089 72 S CA -0.614 57.641 58.200 0.093 0.000 1.101 72 S CB 1.430 64.615 63.200 -0.025 0.000 0.995 72 S HN 0.342 nan 8.310 nan 0.000 0.468 73 T N 2.554 117.119 114.554 0.017 0.000 2.821 73 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 73 T C 0.657 175.333 174.700 -0.041 0.000 1.046 73 T CA 0.576 62.673 62.100 -0.004 0.000 1.139 73 T CB -0.576 68.276 68.868 -0.027 0.000 0.871 73 T HN 0.555 nan 8.240 nan 0.000 0.454 74 N N 2.081 120.721 118.700 -0.101 0.000 2.412 74 N HA 0.172 4.912 4.740 -0.000 0.000 0.254 74 N C -0.252 175.195 175.510 -0.104 0.000 1.232 74 N CA -0.190 52.722 53.050 -0.231 0.000 0.880 74 N CB -0.577 37.717 38.487 -0.321 0.000 1.076 74 N HN 0.270 nan 8.380 nan 0.000 0.458 75 F N -0.080 119.857 119.950 -0.020 0.000 3.093 75 F HA -0.205 4.322 4.527 -0.000 0.000 0.287 75 F C 1.542 177.337 175.800 -0.008 0.000 0.882 75 F CA 1.032 59.021 58.000 -0.018 0.000 1.063 75 F CB -2.076 36.905 39.000 -0.032 0.000 1.097 75 F HN 0.767 nan 8.300 nan 0.000 0.604 76 G N -0.759 108.126 108.800 0.142 0.000 2.155 76 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 76 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 76 G C 1.016 175.988 174.900 0.119 0.000 0.983 76 G CA 0.231 45.400 45.100 0.114 0.000 0.676 76 G HN 0.560 nan 8.290 nan 0.000 0.528 77 L N 1.034 122.316 121.223 0.099 0.000 2.127 77 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 77 L C 2.648 179.664 176.870 0.243 0.000 1.089 77 L CA 2.977 57.854 54.840 0.061 0.000 0.757 77 L CB -0.534 41.442 42.059 -0.138 0.000 0.899 77 L HN 0.575 nan 8.230 nan 0.000 0.434 78 D N -0.438 120.091 120.400 0.216 0.000 2.351 78 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 78 D C 1.911 178.284 176.300 0.121 0.000 0.968 78 D CA 0.974 55.081 54.000 0.180 0.000 0.899 78 D CB -0.201 40.656 40.800 0.096 0.000 0.907 78 D HN 0.269 nan 8.370 nan 0.000 0.514 79 A N 0.157 123.059 122.820 0.137 0.000 1.940 79 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 79 A C 1.057 178.706 177.584 0.108 0.000 1.176 79 A CA 0.915 53.014 52.037 0.104 0.000 0.631 79 A CB -0.264 18.799 19.000 0.106 0.000 0.814 79 A HN 0.238 nan 8.150 nan 0.000 0.446 80 N N -0.487 118.332 118.700 0.198 0.000 2.296 80 N HA 0.428 5.167 4.740 -0.000 0.000 0.294 80 N C -1.148 174.499 175.510 0.229 0.000 1.033 80 N CA -0.343 52.807 53.050 0.166 0.000 0.839 80 N CB 1.570 40.138 38.487 0.136 0.000 1.395 80 N HN 0.265 nan 8.380 nan 0.000 0.479 81 R N 1.713 122.204 120.500 -0.015 0.000 2.629 81 R HA 0.286 4.626 4.340 -0.000 0.000 0.277 81 R C -2.516 173.671 176.300 -0.188 0.000 1.637 81 R CA -1.306 54.688 56.100 -0.177 0.000 1.663 81 R CB 1.296 31.318 30.300 -0.463 0.000 1.228 81 R HN 0.351 nan 8.270 nan 0.000 0.632 82 P HA -0.049 nan 4.420 nan 0.000 0.271 82 P C -0.652 176.615 177.300 -0.055 0.000 1.216 82 P CA -0.021 63.020 63.100 -0.098 0.000 0.776 82 P CB 0.540 32.182 31.700 -0.096 0.000 0.881 83 Y N 1.134 121.473 120.300 0.065 0.000 2.620 83 Y HA 0.298 4.848 4.550 -0.000 0.000 0.330 83 Y C 2.095 178.020 175.900 0.042 0.000 1.186 83 Y CA 1.888 60.049 58.100 0.102 0.000 1.467 83 Y CB -0.180 38.389 38.460 0.181 0.000 1.262 83 Y HN 0.811 nan 8.280 nan 0.000 0.550 84 G N 1.253 110.156 108.800 0.172 0.000 2.213 84 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.226 84 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.226 84 G C 0.212 175.130 174.900 0.029 0.000 0.992 84 G CA -0.037 45.108 45.100 0.075 0.000 0.632 84 G HN 0.705 nan 8.290 nan 0.000 0.511 85 D N -1.315 119.124 120.400 0.064 0.000 2.945 85 D HA -0.082 4.558 4.640 -0.000 0.000 0.225 85 D C 1.943 178.216 176.300 -0.044 0.000 1.158 85 D CA 3.070 57.128 54.000 0.097 0.000 0.805 85 D CB -1.482 39.394 40.800 0.127 0.000 1.098 85 D HN 2.159 nan 8.370 nan 0.000 0.426 86 G N -1.895 106.837 108.800 -0.113 0.000 2.179 86 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 86 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 86 G C 0.243 174.774 174.900 -0.614 0.000 0.977 86 G CA 0.780 45.731 45.100 -0.249 0.000 0.641 86 G HN 1.209 nan 8.290 nan 0.000 0.533 87 V N -0.266 119.283 119.914 -0.608 0.000 2.876 87 V HA 0.804 4.924 4.120 -0.000 0.000 0.312 87 V C -0.413 175.637 176.094 -0.074 0.000 1.085 87 V CA -0.628 61.468 62.300 -0.340 0.000 0.945 87 V CB 2.423 34.059 31.823 -0.313 0.000 1.017 87 V HN 0.610 nan 8.190 nan 0.000 0.428 88 V N 5.164 125.090 119.914 0.019 0.000 2.347 88 V HA 0.620 4.740 4.120 -0.000 0.000 0.280 88 V C 0.184 176.401 176.094 0.205 0.000 1.021 88 V CA 0.106 62.461 62.300 0.092 0.000 0.847 88 V CB 1.330 33.168 31.823 0.024 0.000 0.990 88 V HN 1.075 nan 8.190 nan 0.000 0.444 89 T N 1.527 116.237 114.554 0.260 0.000 2.841 89 T HA 0.861 5.211 4.350 -0.000 0.000 0.285 89 T C -0.090 174.775 174.700 0.276 0.000 0.991 89 T CA -0.346 61.942 62.100 0.314 0.000 0.966 89 T CB 1.748 70.769 68.868 0.256 0.000 0.962 89 T HN 0.956 nan 8.240 nan 0.000 0.438 90 G N 1.680 110.696 108.800 0.360 0.000 2.708 90 G HA2 0.674 4.634 3.960 -0.000 0.000 0.289 90 G HA3 0.674 4.634 3.960 -0.000 0.000 0.289 90 G C -1.774 173.188 174.900 0.103 0.000 1.416 90 G CA -1.207 43.863 45.100 -0.049 0.000 0.829 90 G HN 0.964 nan 8.290 nan 0.000 0.480 91 Y N -1.321 118.889 120.300 -0.152 0.000 2.429 91 Y HA 0.858 5.407 4.550 -0.000 0.000 0.342 91 Y C 0.206 176.136 175.900 0.050 0.000 1.004 91 Y CA -1.102 57.026 58.100 0.046 0.000 1.075 91 Y CB 2.097 40.596 38.460 0.065 0.000 1.214 91 Y HN 0.874 nan 8.280 nan 0.000 0.455 92 G N 0.471 109.409 108.800 0.229 0.000 2.682 92 G HA2 0.565 4.525 3.960 -0.000 0.000 0.290 92 G HA3 0.565 4.525 3.960 -0.000 0.000 0.290 92 G C -1.639 173.350 174.900 0.149 0.000 1.425 92 G CA -1.132 44.052 45.100 0.141 0.000 0.807 92 G HN 0.867 nan 8.290 nan 0.000 0.482 93 T N -1.472 113.141 114.554 0.099 0.000 2.786 93 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 93 T C -0.548 174.178 174.700 0.043 0.000 0.992 93 T CA -0.629 61.513 62.100 0.071 0.000 0.954 93 T CB 1.760 70.664 68.868 0.060 0.000 0.934 93 T HN 0.421 nan 8.240 nan 0.000 0.440 94 V N 3.878 123.809 119.914 0.029 0.000 2.368 94 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 94 V C -0.151 175.940 176.094 -0.004 0.000 1.045 94 V CA -0.223 62.078 62.300 0.002 0.000 0.899 94 V CB 0.154 31.967 31.823 -0.016 0.000 1.006 94 V HN 1.080 nan 8.190 nan 0.000 0.470 95 D N 4.352 124.750 120.400 -0.004 0.000 2.800 95 D HA -0.174 4.466 4.640 -0.000 0.000 0.232 95 D C 1.223 177.533 176.300 0.017 0.000 1.137 95 D CA 1.630 55.630 54.000 -0.000 0.000 0.718 95 D CB -1.395 39.400 40.800 -0.009 0.000 1.084 95 D HN 1.301 nan 8.370 nan 0.000 0.432 96 G N -0.716 108.095 108.800 0.019 0.000 2.143 96 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.249 96 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.249 96 G C 0.154 175.068 174.900 0.023 0.000 0.981 96 G CA 0.390 45.505 45.100 0.026 0.000 0.665 96 G HN 0.618 nan 8.290 nan 0.000 0.528 97 R N 0.506 121.016 120.500 0.016 0.000 2.599 97 R HA 0.538 4.878 4.340 -0.000 0.000 0.295 97 R C -2.778 173.536 176.300 0.023 0.000 0.963 97 R CA -2.184 53.919 56.100 0.006 0.000 0.883 97 R CB 2.321 32.607 30.300 -0.023 0.000 1.171 97 R HN 0.103 nan 8.270 nan 0.000 0.450 98 P HA 0.041 nan 4.420 nan 0.000 0.267 98 P C -0.571 176.762 177.300 0.055 0.000 1.205 98 P CA -0.031 63.108 63.100 0.065 0.000 0.765 98 P CB 0.975 32.699 31.700 0.040 0.000 0.828 99 V N 2.321 122.298 119.914 0.105 0.000 2.962 99 V HA 0.708 4.828 4.120 -0.000 0.000 0.313 99 V C -0.069 176.143 176.094 0.196 0.000 1.099 99 V CA -1.044 61.320 62.300 0.106 0.000 0.971 99 V CB 2.193 34.065 31.823 0.081 0.000 1.028 99 V HN 0.690 nan 8.190 nan 0.000 0.430 100 A N 2.244 125.186 122.820 0.203 0.000 2.303 100 A HA 0.834 5.154 4.320 -0.000 0.000 0.320 100 A C -0.924 176.834 177.584 0.291 0.000 1.192 100 A CA -0.579 51.642 52.037 0.306 0.000 0.821 100 A CB 1.511 20.727 19.000 0.360 0.000 1.188 100 A HN 0.979 nan 8.150 nan 0.000 0.492 101 V N 4.227 124.328 119.914 0.312 0.000 2.680 101 V HA 0.884 5.004 4.120 -0.000 0.000 0.309 101 V C -1.401 174.912 176.094 0.365 0.000 1.052 101 V CA -0.852 61.613 62.300 0.274 0.000 0.908 101 V CB 1.515 33.446 31.823 0.180 0.000 1.001 101 V HN 1.034 nan 8.190 nan 0.000 0.431 102 F N 3.657 123.695 119.950 0.147 0.000 2.540 102 F HA 0.844 5.371 4.527 -0.000 0.000 0.317 102 F C -0.437 175.426 175.800 0.105 0.000 1.104 102 F CA -0.913 57.171 58.000 0.140 0.000 0.913 102 F CB 1.796 40.887 39.000 0.152 0.000 1.170 102 F HN 0.403 nan 8.300 nan 0.000 0.450 103 S N 3.004 118.721 115.700 0.028 0.000 2.478 103 S HA 0.333 4.803 4.470 -0.000 0.000 0.312 103 S C -0.713 173.933 174.600 0.077 0.000 1.094 103 S CA -0.677 57.478 58.200 -0.075 0.000 1.081 103 S CB 0.769 63.919 63.200 -0.083 0.000 1.007 103 S HN 0.741 nan 8.310 nan 0.000 0.475 104 Q N 2.603 122.477 119.800 0.124 0.000 2.361 104 Q HA 0.104 4.444 4.340 -0.000 0.000 0.276 104 Q C -0.695 175.370 176.000 0.109 0.000 1.022 104 Q CA 0.076 56.010 55.803 0.217 0.000 0.898 104 Q CB 0.497 29.424 28.738 0.316 0.000 1.246 104 Q HN 0.561 nan 8.270 nan 0.000 0.410 105 D N 1.352 121.792 120.400 0.068 0.000 2.280 105 D HA 0.051 4.691 4.640 -0.000 0.000 0.236 105 D C -0.018 176.406 176.300 0.207 0.000 1.082 105 D CA -0.561 53.492 54.000 0.088 0.000 0.834 105 D CB 0.563 41.367 40.800 0.008 0.000 1.100 105 D HN 0.364 nan 8.370 nan 0.000 0.486 106 F N 2.886 122.860 119.950 0.040 0.000 2.171 106 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 106 F C 2.358 178.179 175.800 0.035 0.000 1.090 106 F CA 2.011 60.043 58.000 0.055 0.000 1.293 106 F CB -0.791 38.233 39.000 0.041 0.000 1.013 106 F HN 0.527 nan 8.300 nan 0.000 0.486 107 T N -1.651 112.920 114.554 0.029 0.000 2.788 107 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 107 T C 0.990 175.599 174.700 -0.150 0.000 1.044 107 T CA 1.004 63.026 62.100 -0.129 0.000 1.139 107 T CB -1.140 67.671 68.868 -0.096 0.000 0.867 107 T HN -0.106 nan 8.240 nan 0.000 0.454 108 V N 2.966 122.822 119.914 -0.098 0.000 2.408 108 V HA 0.364 4.484 4.120 -0.000 0.000 0.267 108 V C 0.045 176.123 176.094 -0.027 0.000 1.047 108 V CA -0.613 61.573 62.300 -0.190 0.000 0.937 108 V CB -0.509 31.193 31.823 -0.201 0.000 0.999 108 V HN 0.543 nan 8.190 nan 0.000 0.472 109 F N 3.219 123.165 119.950 -0.006 0.000 3.057 109 F HA -0.219 4.308 4.527 -0.000 0.000 0.287 109 F C 1.646 177.457 175.800 0.018 0.000 0.834 109 F CA 1.138 59.147 58.000 0.014 0.000 1.147 109 F CB -1.819 37.209 39.000 0.047 0.000 1.245 109 F HN 0.923 nan 8.300 nan 0.000 0.509 110 G N -0.623 108.223 108.800 0.076 0.000 2.283 110 G HA2 0.120 4.080 3.960 -0.000 0.000 0.280 110 G HA3 0.120 4.080 3.960 -0.000 0.000 0.280 110 G C 1.449 176.509 174.900 0.267 0.000 1.029 110 G CA 1.071 46.185 45.100 0.024 0.000 0.840 110 G HN 2.193 nan 8.290 nan 0.000 0.505 111 G N -1.221 107.764 108.800 0.308 0.000 2.337 111 G HA2 0.102 4.062 3.960 -0.000 0.000 0.290 111 G HA3 0.102 4.062 3.960 -0.000 0.000 0.290 111 G C 0.849 176.008 174.900 0.431 0.000 1.003 111 G CA 1.224 46.584 45.100 0.434 0.000 0.825 111 G HN 2.356 nan 8.290 nan 0.000 0.509 112 A N 0.012 123.033 122.820 0.336 0.000 2.520 112 A HA 0.536 4.856 4.320 -0.000 0.000 0.245 112 A C 0.902 178.613 177.584 0.211 0.000 1.072 112 A CA -0.169 52.007 52.037 0.233 0.000 0.761 112 A CB 0.482 19.580 19.000 0.163 0.000 1.004 112 A HN 0.917 nan 8.150 nan 0.000 0.499 113 L N 2.195 123.405 121.223 -0.021 0.000 2.464 113 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 113 L C 0.644 177.380 176.870 -0.223 0.000 1.199 113 L CA 1.188 55.767 54.840 -0.436 0.000 0.818 113 L CB 0.914 42.461 42.059 -0.853 0.000 1.102 113 L HN 0.888 nan 8.230 nan 0.000 0.473 114 G N 1.938 110.606 108.800 -0.219 0.000 2.660 114 G HA2 0.273 4.233 3.960 -0.000 0.000 0.290 114 G HA3 0.273 4.233 3.960 -0.000 0.000 0.290 114 G C 0.143 175.006 174.900 -0.061 0.000 1.432 114 G CA 0.157 45.212 45.100 -0.074 0.000 0.807 114 G HN 0.723 nan 8.290 nan 0.000 0.485 115 E N -0.789 119.390 120.200 -0.035 0.000 2.038 115 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 115 E C 2.490 179.093 176.600 0.005 0.000 1.000 115 E CA 2.679 59.062 56.400 -0.029 0.000 0.803 115 E CB -0.074 29.622 29.700 -0.006 0.000 0.750 115 E HN 0.501 nan 8.360 nan 0.000 0.448 116 V N -0.594 119.359 119.914 0.065 0.000 2.358 116 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 116 V C 2.441 178.622 176.094 0.145 0.000 1.047 116 V CA 1.765 64.125 62.300 0.099 0.000 1.035 116 V CB -1.213 30.689 31.823 0.133 0.000 0.658 116 V HN 0.401 nan 8.190 nan 0.000 0.452 117 Y N 3.161 123.462 120.300 0.002 0.000 2.181 117 Y HA 0.074 4.624 4.550 -0.000 0.000 0.288 117 Y C 2.417 178.274 175.900 -0.071 0.000 1.146 117 Y CA 1.371 59.471 58.100 0.000 0.000 1.164 117 Y CB -1.100 37.369 38.460 0.016 0.000 0.982 117 Y HN 0.284 nan 8.280 nan 0.000 0.515 118 G N -0.231 108.536 108.800 -0.055 0.000 2.408 118 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 118 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 118 G C 1.621 176.467 174.900 -0.091 0.000 1.150 118 G CA 0.694 45.673 45.100 -0.202 0.000 0.776 118 G HN 0.489 nan 8.290 nan 0.000 0.542 119 Q N -0.229 119.553 119.800 -0.030 0.000 2.124 119 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 119 Q C 2.493 178.500 176.000 0.013 0.000 0.977 119 Q CA 1.454 57.250 55.803 -0.011 0.000 0.850 119 Q CB -0.110 28.634 28.738 0.010 0.000 0.901 119 Q HN 0.534 nan 8.270 nan 0.000 0.429 120 K N 0.525 120.958 120.400 0.055 0.000 2.057 120 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 120 K C 1.892 178.519 176.600 0.046 0.000 1.049 120 K CA 1.221 57.549 56.287 0.068 0.000 0.931 120 K CB -0.097 32.465 32.500 0.104 0.000 0.714 120 K HN 0.183 nan 8.250 nan 0.000 0.440 121 I N 0.943 121.521 120.570 0.013 0.000 2.286 121 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 121 I C 2.139 178.189 176.117 -0.111 0.000 1.115 121 I CA 0.865 62.090 61.300 -0.125 0.000 1.392 121 I CB -0.212 37.593 38.000 -0.325 0.000 1.065 121 I HN -0.012 nan 8.210 nan 0.000 0.418 122 V N 0.908 120.774 119.914 -0.079 0.000 2.407 122 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 122 V C 2.528 178.621 176.094 -0.002 0.000 1.055 122 V CA 1.829 64.097 62.300 -0.053 0.000 1.049 122 V CB -0.783 31.012 31.823 -0.047 0.000 0.662 122 V HN 0.423 nan 8.190 nan 0.000 0.455 123 K N 0.342 120.752 120.400 0.016 0.000 2.057 123 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 123 K C 2.232 178.893 176.600 0.102 0.000 1.049 123 K CA 1.871 58.187 56.287 0.047 0.000 0.931 123 K CB -0.221 32.301 32.500 0.036 0.000 0.714 123 K HN 0.484 nan 8.250 nan 0.000 0.440 124 V N -0.629 119.350 119.914 0.108 0.000 2.358 124 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 124 V C 2.134 178.335 176.094 0.178 0.000 1.047 124 V CA 1.603 64.018 62.300 0.192 0.000 1.035 124 V CB -0.456 31.485 31.823 0.197 0.000 0.658 124 V HN 0.286 nan 8.190 nan 0.000 0.452 125 M N 0.015 119.659 119.600 0.074 0.000 2.117 125 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 125 M C 2.096 178.427 176.300 0.051 0.000 1.065 125 M CA 2.298 57.625 55.300 0.045 0.000 1.114 125 M CB -0.720 31.868 32.600 -0.019 0.000 1.361 125 M HN 0.427 nan 8.290 nan 0.000 0.408 126 D N 0.100 120.533 120.400 0.055 0.000 2.097 126 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 126 D C 1.659 178.008 176.300 0.081 0.000 0.989 126 D CA 1.247 55.278 54.000 0.052 0.000 0.827 126 D CB -0.353 40.475 40.800 0.048 0.000 0.966 126 D HN 0.285 nan 8.370 nan 0.000 0.456 127 F N 1.683 121.630 119.950 -0.005 0.000 2.171 127 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 127 F C 2.079 177.875 175.800 -0.007 0.000 1.090 127 F CA 1.441 59.431 58.000 -0.016 0.000 1.293 127 F CB -0.342 38.646 39.000 -0.020 0.000 1.013 127 F HN -0.079 nan 8.300 nan 0.000 0.486 128 A N 0.603 123.345 122.820 -0.129 0.000 1.877 128 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 128 A C 2.176 179.646 177.584 -0.189 0.000 1.186 128 A CA 1.762 53.678 52.037 -0.203 0.000 0.620 128 A CB -1.331 17.679 19.000 0.016 0.000 0.822 128 A HN 0.503 nan 8.150 nan 0.000 0.443 129 L N -0.087 121.081 121.223 -0.091 0.000 2.046 129 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 129 L C 2.389 179.196 176.870 -0.106 0.000 1.077 129 L CA 2.608 57.411 54.840 -0.062 0.000 0.747 129 L CB -0.404 41.645 42.059 -0.016 0.000 0.896 129 L HN 0.489 nan 8.230 nan 0.000 0.432 130 K N -1.111 119.206 120.400 -0.138 0.000 2.057 130 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 130 K C 1.453 177.947 176.600 -0.176 0.000 1.049 130 K CA 1.798 58.012 56.287 -0.122 0.000 0.931 130 K CB -0.213 32.245 32.500 -0.070 0.000 0.714 130 K HN 0.527 nan 8.250 nan 0.000 0.440 131 T N -2.785 111.563 114.554 -0.343 0.000 3.206 131 T HA 0.251 4.601 4.350 -0.000 0.000 0.253 131 T C 0.753 175.303 174.700 -0.250 0.000 1.042 131 T CA 0.089 61.989 62.100 -0.332 0.000 0.931 131 T CB 0.344 68.884 68.868 -0.547 0.000 1.029 131 T HN 0.376 nan 8.240 nan 0.000 0.564 132 G N 1.251 109.938 108.800 -0.189 0.000 2.314 132 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.292 132 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.292 132 G C 0.242 175.083 174.900 -0.098 0.000 1.059 132 G CA 0.076 45.111 45.100 -0.108 0.000 0.982 132 G HN 1.636 nan 8.290 nan 0.000 0.505 133 C N -2.595 116.636 119.300 -0.115 0.000 3.288 133 C HA 0.918 5.378 4.460 -0.000 0.000 0.318 133 C C -2.728 172.227 174.990 -0.057 0.000 1.356 133 C CA -2.067 56.898 59.018 -0.088 0.000 1.359 133 C CB 1.670 29.356 27.740 -0.089 0.000 1.688 133 C HN 0.207 nan 8.230 nan 0.000 0.467 134 P HA 0.393 nan 4.420 nan 0.000 0.275 134 P C -0.924 176.403 177.300 0.044 0.000 1.228 134 P CA -0.093 62.993 63.100 -0.023 0.000 0.786 134 P CB 0.709 32.372 31.700 -0.062 0.000 0.927 135 V N 3.229 123.193 119.914 0.084 0.000 2.409 135 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 135 V C -0.059 176.143 176.094 0.181 0.000 1.020 135 V CA -0.671 61.724 62.300 0.159 0.000 0.848 135 V CB 1.822 33.756 31.823 0.185 0.000 0.990 135 V HN 0.188 nan 8.190 nan 0.000 0.430 136 V N 3.576 123.594 119.914 0.174 0.000 2.384 136 V HA 0.732 4.852 4.120 -0.000 0.000 0.287 136 V C 0.774 176.896 176.094 0.047 0.000 1.020 136 V CA -0.317 62.048 62.300 0.109 0.000 0.850 136 V CB 1.640 33.489 31.823 0.044 0.000 0.987 136 V HN 0.963 nan 8.190 nan 0.000 0.436 137 G N 4.640 113.419 108.800 -0.034 0.000 2.335 137 G HA2 0.618 4.578 3.960 -0.000 0.000 0.314 137 G HA3 0.618 4.578 3.960 -0.000 0.000 0.314 137 G C -0.602 173.890 174.900 -0.680 0.000 1.129 137 G CA -0.528 43.931 45.100 -1.068 0.000 0.912 137 G HN 0.511 nan 8.290 nan 0.000 0.443 138 I N 1.698 121.832 120.570 -0.726 0.000 2.692 138 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 138 I C 0.259 176.198 176.117 -0.296 0.000 1.159 138 I CA -0.102 60.974 61.300 -0.372 0.000 1.423 138 I CB 0.749 38.599 38.000 -0.250 0.000 1.380 138 I HN 0.429 nan 8.210 nan 0.000 0.580 139 N N 4.186 122.827 118.700 -0.098 0.000 2.399 139 N HA 0.350 5.090 4.740 -0.000 0.000 0.280 139 N C -0.146 175.358 175.510 -0.010 0.000 1.008 139 N CA -0.464 52.593 53.050 0.013 0.000 0.894 139 N CB 1.799 40.313 38.487 0.046 0.000 1.273 139 N HN 0.510 nan 8.380 nan 0.000 0.486 140 D N -0.277 120.143 120.400 0.034 0.000 2.502 140 D HA 0.016 4.656 4.640 -0.000 0.000 0.232 140 D C 0.123 176.395 176.300 -0.047 0.000 1.137 140 D CA 0.313 54.280 54.000 -0.056 0.000 0.827 140 D CB 0.559 41.357 40.800 -0.004 0.000 1.141 140 D HN 0.485 nan 8.370 nan 0.000 0.517 141 S N -1.101 114.665 115.700 0.110 0.000 2.603 141 S HA 0.432 4.902 4.470 -0.000 0.000 0.268 141 S C 1.221 175.917 174.600 0.160 0.000 1.317 141 S CA 0.336 58.669 58.200 0.221 0.000 1.012 141 S CB 1.640 64.997 63.200 0.263 0.000 0.926 141 S HN 0.053 nan 8.310 nan 0.000 0.539 142 G N 0.354 109.299 108.800 0.242 0.000 3.337 142 G HA2 0.536 4.496 3.960 -0.000 0.000 0.246 142 G HA3 0.536 4.496 3.960 -0.000 0.000 0.246 142 G C 0.839 175.817 174.900 0.130 0.000 1.131 142 G CA 0.054 45.279 45.100 0.208 0.000 0.773 142 G HN 1.630 nan 8.290 nan 0.000 0.544 143 G N -0.758 108.114 108.800 0.120 0.000 2.757 143 G HA2 0.362 4.322 3.960 -0.000 0.000 0.638 143 G HA3 0.362 4.322 3.960 -0.000 0.000 0.638 143 G C 0.228 175.235 174.900 0.178 0.000 1.344 143 G CA -0.376 44.796 45.100 0.121 0.000 0.855 143 G HN 1.350 nan 8.290 nan 0.000 0.537 144 A N -0.022 122.922 122.820 0.206 0.000 2.498 144 A HA 0.580 4.900 4.320 -0.000 0.000 0.239 144 A C 1.040 178.686 177.584 0.103 0.000 1.068 144 A CA 0.980 53.146 52.037 0.216 0.000 0.766 144 A CB 0.238 19.387 19.000 0.249 0.000 1.003 144 A HN 1.211 nan 8.150 nan 0.000 0.497 145 R N 2.752 123.282 120.500 0.050 0.000 2.308 145 R HA 0.253 4.593 4.340 -0.000 0.000 0.325 145 R C 0.037 176.329 176.300 -0.012 0.000 1.161 145 R CA -0.623 55.475 56.100 -0.003 0.000 1.022 145 R CB -0.179 30.079 30.300 -0.070 0.000 1.091 145 R HN 0.665 nan 8.270 nan 0.000 0.497 146 I N 3.259 123.836 120.570 0.012 0.000 2.423 146 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 146 I C 1.906 178.064 176.117 0.069 0.000 1.151 146 I CA 1.092 62.417 61.300 0.041 0.000 1.421 146 I CB -0.709 37.312 38.000 0.035 0.000 1.079 146 I HN 0.568 nan 8.210 nan 0.000 0.431 147 Q N 0.988 120.816 119.800 0.047 0.000 2.096 147 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 147 Q C 2.216 178.257 176.000 0.068 0.000 0.982 147 Q CA 1.652 57.556 55.803 0.167 0.000 0.850 147 Q CB -0.338 28.425 28.738 0.042 0.000 0.901 147 Q HN 0.575 nan 8.270 nan 0.000 0.422 148 E N -0.512 119.672 120.200 -0.027 0.000 2.153 148 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 148 E C 1.248 177.840 176.600 -0.014 0.000 0.988 148 E CA 0.685 57.053 56.400 -0.054 0.000 0.811 148 E CB -0.171 29.482 29.700 -0.079 0.000 0.746 148 E HN 0.403 nan 8.360 nan 0.000 0.466 149 G N 0.795 109.609 108.800 0.023 0.000 2.531 149 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.274 149 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.274 149 G C 1.170 176.091 174.900 0.034 0.000 1.159 149 G CA 1.403 46.526 45.100 0.039 0.000 0.969 149 G HN 0.414 nan 8.290 nan 0.000 0.554 150 V N -1.075 118.857 119.914 0.030 0.000 2.407 150 V HA 0.186 4.306 4.120 -0.000 0.000 0.248 150 V C 3.262 179.373 176.094 0.029 0.000 1.055 150 V CA 3.085 65.407 62.300 0.037 0.000 1.049 150 V CB -1.685 30.156 31.823 0.031 0.000 0.662 150 V HN 2.324 nan 8.190 nan 0.000 0.455 151 A N 1.809 124.633 122.820 0.008 0.000 1.948 151 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 151 A C 2.648 180.224 177.584 -0.015 0.000 1.177 151 A CA 3.103 55.136 52.037 -0.006 0.000 0.636 151 A CB -1.191 17.798 19.000 -0.018 0.000 0.815 151 A HN 1.039 nan 8.150 nan 0.000 0.449 152 S N 0.051 115.744 115.700 -0.012 0.000 2.368 152 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 152 S C 1.900 176.511 174.600 0.018 0.000 1.030 152 S CA 1.530 59.708 58.200 -0.036 0.000 0.999 152 S CB -0.770 62.429 63.200 -0.002 0.000 0.844 152 S HN 0.478 nan 8.310 nan 0.000 0.459 153 L N 1.310 122.589 121.223 0.093 0.000 2.093 153 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 153 L C 3.041 179.989 176.870 0.130 0.000 1.085 153 L CA 1.219 56.157 54.840 0.164 0.000 0.755 153 L CB -1.414 40.726 42.059 0.134 0.000 0.904 153 L HN 0.559 nan 8.230 nan 0.000 0.435 154 G N -0.211 108.628 108.800 0.064 0.000 2.432 154 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 154 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 154 G C 1.790 176.692 174.900 0.003 0.000 1.135 154 G CA 0.821 45.946 45.100 0.042 0.000 0.767 154 G HN 0.462 nan 8.290 nan 0.000 0.550 155 A N 0.080 122.868 122.820 -0.054 0.000 1.902 155 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 155 A C 2.227 179.684 177.584 -0.212 0.000 1.181 155 A CA 1.482 53.430 52.037 -0.149 0.000 0.623 155 A CB -0.637 18.224 19.000 -0.232 0.000 0.818 155 A HN 0.346 nan 8.150 nan 0.000 0.443 156 Y N 0.326 120.502 120.300 -0.208 0.000 2.224 156 Y HA -0.078 4.472 4.550 -0.000 0.000 0.289 156 Y C 2.749 178.316 175.900 -0.556 0.000 1.146 156 Y CA 0.806 58.659 58.100 -0.411 0.000 1.182 156 Y CB -0.938 37.388 38.460 -0.223 0.000 0.983 156 Y HN 0.314 nan 8.280 nan 0.000 0.524 157 G N -0.903 107.923 108.800 0.043 0.000 2.422 157 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 157 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 157 G C 1.582 176.534 174.900 0.086 0.000 1.146 157 G CA 1.009 46.218 45.100 0.182 0.000 0.769 157 G HN 0.279 nan 8.290 nan 0.000 0.547 158 E N 0.511 120.708 120.200 -0.004 0.000 2.085 158 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 158 E C 2.522 179.102 176.600 -0.033 0.000 0.994 158 E CA 0.650 57.044 56.400 -0.009 0.000 0.801 158 E CB -0.274 29.401 29.700 -0.043 0.000 0.743 158 E HN 0.518 nan 8.360 nan 0.000 0.453 159 I N -0.165 120.309 120.570 -0.160 0.000 2.286 159 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 159 I C 1.642 177.697 176.117 -0.104 0.000 1.115 159 I CA 0.739 61.916 61.300 -0.205 0.000 1.392 159 I CB -0.342 37.447 38.000 -0.352 0.000 1.065 159 I HN 0.091 nan 8.210 nan 0.000 0.418 160 F N 0.794 120.790 119.950 0.078 0.000 2.171 160 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 160 F C 2.647 178.477 175.800 0.051 0.000 1.090 160 F CA 1.048 59.078 58.000 0.051 0.000 1.293 160 F CB -0.972 38.036 39.000 0.014 0.000 1.013 160 F HN -0.046 nan 8.300 nan 0.000 0.486 161 R N 0.540 121.187 120.500 0.246 0.000 2.082 161 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 161 R C 2.367 178.896 176.300 0.382 0.000 1.136 161 R CA 1.808 58.071 56.100 0.271 0.000 0.935 161 R CB -0.419 30.015 30.300 0.223 0.000 0.842 161 R HN 0.127 nan 8.270 nan 0.000 0.430 162 R N 0.130 120.767 120.500 0.228 0.000 2.120 162 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 162 R C 2.078 178.484 176.300 0.176 0.000 1.123 162 R CA 1.614 57.824 56.100 0.183 0.000 0.975 162 R CB -0.346 29.989 30.300 0.059 0.000 0.866 162 R HN 0.437 nan 8.270 nan 0.000 0.446 163 N N -1.171 117.622 118.700 0.155 0.000 2.084 163 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 163 N C 1.234 176.812 175.510 0.113 0.000 1.030 163 N CA 1.719 54.855 53.050 0.144 0.000 0.849 163 N CB 0.016 38.616 38.487 0.187 0.000 1.012 163 N HN 0.151 nan 8.380 nan 0.000 0.423 164 T N -0.353 114.249 114.554 0.080 0.000 2.821 164 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 164 T C 1.267 175.901 174.700 -0.110 0.000 1.046 164 T CA 1.215 63.287 62.100 -0.048 0.000 1.139 164 T CB -0.331 68.451 68.868 -0.144 0.000 0.871 164 T HN 0.359 nan 8.240 nan 0.000 0.454 165 H N 1.193 120.276 119.070 0.022 0.000 2.321 165 H HA 0.179 4.735 4.556 -0.000 0.000 0.300 165 H C 2.500 177.838 175.328 0.017 0.000 1.087 165 H CA 1.386 57.441 56.048 0.013 0.000 1.319 165 H CB -0.405 29.365 29.762 0.013 0.000 1.379 165 H HN 0.369 nan 8.280 nan 0.000 0.501 166 A N 0.747 123.661 122.820 0.157 0.000 1.933 166 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 166 A C 1.503 179.139 177.584 0.088 0.000 1.175 166 A CA 0.837 52.941 52.037 0.112 0.000 0.628 166 A CB -0.663 18.404 19.000 0.112 0.000 0.814 166 A HN 0.412 nan 8.150 nan 0.000 0.444 167 S N -0.714 115.026 115.700 0.066 0.000 2.563 167 S HA 0.369 4.839 4.470 -0.000 0.000 0.294 167 S C 1.180 175.770 174.600 -0.016 0.000 1.279 167 S CA 0.843 59.071 58.200 0.047 0.000 1.069 167 S CB 0.210 63.420 63.200 0.017 0.000 0.828 167 S HN 2.075 nan 8.310 nan 0.000 0.497 168 G N 2.201 110.953 108.800 -0.079 0.000 2.194 168 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.236 168 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.236 168 G C 0.447 175.225 174.900 -0.203 0.000 0.987 168 G CA 0.220 45.142 45.100 -0.296 0.000 0.635 168 G HN 1.388 nan 8.290 nan 0.000 0.520 169 V N 0.220 120.181 119.914 0.079 0.000 3.371 169 V HA 0.461 4.581 4.120 -0.000 0.000 0.246 169 V C 0.978 177.243 176.094 0.285 0.000 1.303 169 V CA 1.254 63.643 62.300 0.149 0.000 1.156 169 V CB 0.192 32.061 31.823 0.077 0.000 0.929 169 V HN 0.787 nan 8.190 nan 0.000 0.459 170 I N -2.099 118.651 120.570 0.299 0.000 2.769 170 I HA 0.659 4.829 4.170 -0.000 0.000 0.298 170 I C -3.212 173.035 176.117 0.216 0.000 1.128 170 I CA -2.680 58.738 61.300 0.196 0.000 1.031 170 I CB 2.331 40.369 38.000 0.063 0.000 1.235 170 I HN -0.141 nan 8.210 nan 0.000 0.423 171 P HA 0.199 nan 4.420 nan 0.000 0.271 171 P C -1.270 176.050 177.300 0.034 0.000 1.226 171 P CA 0.143 63.147 63.100 -0.160 0.000 0.765 171 P CB 0.544 31.968 31.700 -0.460 0.000 0.835 172 Q N 2.654 122.526 119.800 0.120 0.000 2.347 172 Q HA 0.508 4.848 4.340 -0.000 0.000 0.262 172 Q C -0.571 175.524 176.000 0.158 0.000 0.980 172 Q CA -0.168 55.721 55.803 0.143 0.000 0.867 172 Q CB 0.915 29.749 28.738 0.160 0.000 1.242 172 Q HN 0.431 nan 8.270 nan 0.000 0.453 173 I N 1.663 122.332 120.570 0.165 0.000 2.406 173 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 173 I C -0.602 175.623 176.117 0.179 0.000 0.999 173 I CA -0.491 60.926 61.300 0.195 0.000 1.124 173 I CB 2.047 40.145 38.000 0.165 0.000 1.289 173 I HN 0.463 nan 8.210 nan 0.000 0.441 174 S N 6.813 122.631 115.700 0.196 0.000 2.498 174 S HA 0.519 4.989 4.470 -0.000 0.000 0.317 174 S C -0.767 173.901 174.600 0.113 0.000 1.090 174 S CA -0.445 57.847 58.200 0.154 0.000 1.089 174 S CB 1.506 64.816 63.200 0.183 0.000 0.997 174 S HN 0.361 nan 8.310 nan 0.000 0.470 175 L N 5.159 126.408 121.223 0.043 0.000 2.287 175 L HA 0.625 4.965 4.340 -0.000 0.000 0.287 175 L C -1.020 175.846 176.870 -0.008 0.000 1.022 175 L CA -0.401 54.457 54.840 0.029 0.000 0.814 175 L CB 1.218 43.284 42.059 0.012 0.000 1.217 175 L HN 0.424 nan 8.230 nan 0.000 0.420 176 V N 6.353 126.262 119.914 -0.007 0.000 2.350 176 V HA 0.249 4.369 4.120 -0.000 0.000 0.276 176 V C 0.759 176.822 176.094 -0.052 0.000 1.028 176 V CA -0.031 62.251 62.300 -0.030 0.000 0.860 176 V CB 1.415 33.219 31.823 -0.032 0.000 0.990 176 V HN 0.698 nan 8.190 nan 0.000 0.453 177 V N 1.934 121.809 119.914 -0.064 0.000 3.528 177 V HA 0.728 4.848 4.120 -0.000 0.000 0.294 177 V C 0.670 176.703 176.094 -0.102 0.000 1.404 177 V CA 0.660 62.916 62.300 -0.073 0.000 1.065 177 V CB 0.084 31.871 31.823 -0.061 0.000 0.904 177 V HN 0.823 nan 8.190 nan 0.000 0.435 178 G N -0.434 108.288 108.800 -0.130 0.000 2.649 178 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 178 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 178 G C -3.535 171.249 174.900 -0.194 0.000 1.426 178 G CA -1.524 43.442 45.100 -0.224 0.000 0.794 178 G HN -0.010 nan 8.290 nan 0.000 0.483 179 P HA 0.304 nan 4.420 nan 0.000 0.266 179 P C -0.246 176.925 177.300 -0.215 0.000 1.193 179 P CA -0.097 62.877 63.100 -0.209 0.000 0.770 179 P CB 0.797 32.385 31.700 -0.186 0.000 0.836 180 C N 2.950 122.061 119.300 -0.314 0.000 2.698 180 C HA 0.898 5.358 4.460 -0.000 0.000 0.309 180 C C -1.012 173.667 174.990 -0.518 0.000 1.186 180 C CA -0.111 58.745 59.018 -0.269 0.000 1.474 180 C CB 0.571 28.223 27.740 -0.147 0.000 2.020 180 C HN 0.706 nan 8.230 nan 0.000 0.474 181 A N 3.953 126.564 122.820 -0.348 0.000 2.539 181 A HA 0.959 5.279 4.320 -0.000 0.000 0.296 181 A C 0.336 177.823 177.584 -0.163 0.000 1.073 181 A CA 0.608 52.453 52.037 -0.319 0.000 0.700 181 A CB 0.856 19.775 19.000 -0.134 0.000 1.296 181 A HN 2.981 nan 8.150 nan 0.000 0.405 182 G N 0.358 109.099 108.800 -0.098 0.000 2.569 182 G HA2 0.141 4.101 3.960 -0.000 0.000 0.259 182 G HA3 0.141 4.101 3.960 -0.000 0.000 0.259 182 G C 1.246 175.995 174.900 -0.252 0.000 1.263 182 G CA 0.761 45.785 45.100 -0.128 0.000 0.928 182 G HN 2.194 nan 8.290 nan 0.000 0.572 183 G N -0.192 108.459 108.800 -0.249 0.000 2.448 183 G HA2 0.243 4.203 3.960 -0.000 0.000 0.219 183 G HA3 0.243 4.203 3.960 -0.000 0.000 0.219 183 G C 2.088 176.891 174.900 -0.162 0.000 1.127 183 G CA 2.644 47.640 45.100 -0.172 0.000 0.766 183 G HN 1.960 nan 8.290 nan 0.000 0.552 184 A N 0.690 123.237 122.820 -0.455 0.000 2.076 184 A HA 0.021 4.341 4.320 -0.000 0.000 0.220 184 A C 2.635 180.195 177.584 -0.040 0.000 1.160 184 A CA 2.029 53.832 52.037 -0.390 0.000 0.653 184 A CB -0.587 18.237 19.000 -0.293 0.000 0.801 184 A HN 0.761 nan 8.150 nan 0.000 0.455 185 V N -3.728 116.102 119.914 -0.140 0.000 2.469 185 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 185 V C 2.241 178.355 176.094 0.034 0.000 1.064 185 V CA 1.838 64.073 62.300 -0.109 0.000 1.066 185 V CB -1.535 30.156 31.823 -0.220 0.000 0.667 185 V HN 0.502 nan 8.190 nan 0.000 0.461 186 Y N 1.270 121.618 120.300 0.079 0.000 2.224 186 Y HA -0.145 4.405 4.550 -0.000 0.000 0.289 186 Y C 3.146 179.191 175.900 0.240 0.000 1.146 186 Y CA 1.223 59.333 58.100 0.016 0.000 1.182 186 Y CB -0.901 37.306 38.460 -0.421 0.000 0.983 186 Y HN 0.345 nan 8.280 nan 0.000 0.524 187 S N -0.308 115.771 115.700 0.632 0.000 2.356 187 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 187 S C -0.532 174.248 174.600 0.299 0.000 1.032 187 S CA 1.377 59.874 58.200 0.495 0.000 1.005 187 S CB -1.050 62.336 63.200 0.310 0.000 0.867 187 S HN 0.211 nan 8.310 nan 0.000 0.449 188 P HA 0.073 nan 4.420 nan 0.000 0.218 188 P C 1.419 178.810 177.300 0.151 0.000 1.149 188 P CA 1.383 64.587 63.100 0.175 0.000 0.817 188 P CB -0.235 31.530 31.700 0.108 0.000 0.785 189 A N -0.255 122.650 122.820 0.142 0.000 1.902 189 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 189 A C 2.004 179.653 177.584 0.109 0.000 1.181 189 A CA 1.484 53.587 52.037 0.109 0.000 0.623 189 A CB -1.510 17.571 19.000 0.134 0.000 0.818 189 A HN 0.032 nan 8.150 nan 0.000 0.443 190 I N 0.968 121.618 120.570 0.133 0.000 2.286 190 I HA -0.098 4.072 4.170 -0.000 0.000 0.248 190 I C 1.774 177.959 176.117 0.113 0.000 1.115 190 I CA 1.365 62.728 61.300 0.105 0.000 1.392 190 I CB -1.996 36.083 38.000 0.131 0.000 1.065 190 I HN 0.468 nan 8.210 nan 0.000 0.418 191 T N -1.127 113.516 114.554 0.149 0.000 2.932 191 T HA 0.012 4.362 4.350 -0.000 0.000 0.312 191 T C 0.844 175.632 174.700 0.147 0.000 1.071 191 T CA -0.213 61.981 62.100 0.156 0.000 1.128 191 T CB 0.883 69.867 68.868 0.192 0.000 0.984 191 T HN 0.144 nan 8.240 nan 0.000 0.549 192 D N 0.826 121.286 120.400 0.101 0.000 2.117 192 D HA 0.089 4.729 4.640 -0.000 0.000 0.197 192 D C -0.089 176.123 176.300 -0.147 0.000 0.987 192 D CA 1.409 55.383 54.000 -0.044 0.000 0.829 192 D CB -0.051 40.693 40.800 -0.094 0.000 0.961 192 D HN 0.489 nan 8.370 nan 0.000 0.460 193 F N -0.194 119.830 119.950 0.124 0.000 2.540 193 F HA 0.423 4.950 4.527 -0.000 0.000 0.317 193 F C -0.145 175.807 175.800 0.254 0.000 1.104 193 F CA -0.986 56.956 58.000 -0.098 0.000 0.913 193 F CB 2.227 41.086 39.000 -0.235 0.000 1.170 193 F HN -0.424 nan 8.300 nan 0.000 0.450 194 T N 3.440 118.501 114.554 0.844 0.000 2.807 194 T HA 0.697 5.047 4.350 -0.000 0.000 0.279 194 T C -0.856 174.047 174.700 0.338 0.000 0.993 194 T CA -0.591 61.760 62.100 0.418 0.000 0.970 194 T CB 1.540 70.540 68.868 0.219 0.000 0.950 194 T HN 0.252 nan 8.240 nan 0.000 0.441 195 V N 4.334 124.361 119.914 0.189 0.000 2.604 195 V HA 0.672 4.792 4.120 -0.000 0.000 0.305 195 V C -0.355 175.744 176.094 0.008 0.000 1.043 195 V CA -0.910 61.447 62.300 0.094 0.000 0.888 195 V CB 1.689 33.568 31.823 0.092 0.000 0.995 195 V HN 0.858 nan 8.190 nan 0.000 0.429 196 M N 3.119 122.684 119.600 -0.057 0.000 2.593 196 M HA 0.704 5.184 4.480 -0.000 0.000 0.290 196 M C -1.394 174.828 176.300 -0.129 0.000 1.244 196 M CA -0.915 54.338 55.300 -0.079 0.000 0.857 196 M CB 2.674 35.238 32.600 -0.060 0.000 1.738 196 M HN 0.310 nan 8.290 nan 0.000 0.461 197 V N 0.807 120.650 119.914 -0.118 0.000 2.417 197 V HA 0.209 4.329 4.120 -0.000 0.000 0.291 197 V C -0.745 175.271 176.094 -0.131 0.000 1.024 197 V CA -0.550 61.678 62.300 -0.120 0.000 0.861 197 V CB 1.780 33.554 31.823 -0.081 0.000 0.985 197 V HN 0.862 nan 8.190 nan 0.000 0.436 198 D N 3.717 124.042 120.400 -0.125 0.000 2.455 198 D HA 0.059 4.699 4.640 -0.000 0.000 0.241 198 D C 0.875 177.112 176.300 -0.105 0.000 1.138 198 D CA 0.601 54.529 54.000 -0.120 0.000 0.877 198 D CB 0.437 41.180 40.800 -0.095 0.000 1.187 198 D HN 0.588 nan 8.370 nan 0.000 0.451 199 Q N 1.382 121.100 119.800 -0.137 0.000 2.468 199 Q HA -0.240 4.100 4.340 -0.000 0.000 0.256 199 Q C 0.156 176.154 176.000 -0.004 0.000 0.984 199 Q CA 1.432 57.202 55.803 -0.054 0.000 1.110 199 Q CB -1.450 27.295 28.738 0.011 0.000 1.527 199 Q HN 0.736 nan 8.270 nan 0.000 0.535 200 T N -2.084 112.415 114.554 -0.092 0.000 3.176 200 T HA 0.054 4.404 4.350 -0.000 0.000 0.259 200 T C 0.374 175.044 174.700 -0.051 0.000 0.978 200 T CA 0.611 62.707 62.100 -0.007 0.000 1.050 200 T CB 0.309 69.164 68.868 -0.022 0.000 1.136 200 T HN 0.415 nan 8.240 nan 0.000 0.465 201 S N 1.755 117.341 115.700 -0.190 0.000 2.585 201 S HA 0.539 5.009 4.470 -0.000 0.000 0.273 201 S C -0.819 173.487 174.600 -0.489 0.000 1.339 201 S CA -0.383 57.699 58.200 -0.196 0.000 1.028 201 S CB 0.480 63.597 63.200 -0.138 0.000 0.906 201 S HN 0.534 nan 8.310 nan 0.000 0.528 202 H N -0.505 118.548 119.070 -0.028 0.000 3.017 202 H HA 0.635 5.191 4.556 -0.000 0.000 0.346 202 H C -0.960 174.336 175.328 -0.054 0.000 1.286 202 H CA -0.644 55.406 56.048 0.003 0.000 1.120 202 H CB 1.388 31.173 29.762 0.038 0.000 1.860 202 H HN 0.626 nan 8.280 nan 0.000 0.542 203 M N 1.875 121.575 119.600 0.167 0.000 2.572 203 M HA 0.618 5.098 4.480 -0.000 0.000 0.299 203 M C -1.801 174.491 176.300 -0.013 0.000 1.205 203 M CA -0.759 54.578 55.300 0.061 0.000 0.876 203 M CB 2.432 35.349 32.600 0.529 0.000 1.728 203 M HN 0.567 nan 8.290 nan 0.000 0.458 204 F N 0.261 120.218 119.950 0.012 0.000 2.704 204 F HA 0.420 4.947 4.527 -0.000 0.000 0.312 204 F C -0.547 175.206 175.800 -0.078 0.000 1.108 204 F CA -1.174 56.803 58.000 -0.038 0.000 1.005 204 F CB -0.091 38.865 39.000 -0.072 0.000 1.277 204 F HN 0.465 nan 8.300 nan 0.000 0.445 205 I N 1.461 122.133 120.570 0.171 0.000 2.202 205 I HA 0.103 4.273 4.170 -0.000 0.000 0.242 205 I C 0.561 176.727 176.117 0.081 0.000 1.091 205 I CA 1.681 63.002 61.300 0.035 0.000 1.368 205 I CB -0.164 37.817 38.000 -0.032 0.000 1.058 205 I HN 0.760 nan 8.210 nan 0.000 0.410 206 T N -0.315 114.296 114.554 0.095 0.000 2.896 206 T HA 0.649 4.999 4.350 -0.000 0.000 0.297 206 T C -0.065 174.571 174.700 -0.107 0.000 1.108 206 T CA -0.316 61.806 62.100 0.036 0.000 1.004 206 T CB 1.352 70.219 68.868 -0.002 0.000 1.159 206 T HN 0.287 nan 8.240 nan 0.000 0.499 207 G N 1.004 109.709 108.800 -0.157 0.000 2.569 207 G HA2 0.410 4.370 3.960 -0.000 0.000 0.249 207 G HA3 0.410 4.370 3.960 -0.000 0.000 0.249 207 G C -1.781 173.012 174.900 -0.179 0.000 1.216 207 G CA -1.344 43.563 45.100 -0.321 0.000 0.845 207 G HN 0.418 nan 8.290 nan 0.000 0.568 208 P HA -0.061 nan 4.420 nan 0.000 0.222 208 P C 1.082 178.361 177.300 -0.034 0.000 1.147 208 P CA 1.485 64.565 63.100 -0.033 0.000 0.790 208 P CB 0.199 31.919 31.700 0.033 0.000 0.780 209 D N -1.306 119.087 120.400 -0.011 0.000 2.103 209 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 209 D C 1.633 177.922 176.300 -0.018 0.000 0.978 209 D CA 0.825 54.818 54.000 -0.011 0.000 0.829 209 D CB -1.280 39.528 40.800 0.013 0.000 0.981 209 D HN -0.037 nan 8.370 nan 0.000 0.464 210 V N 1.753 121.655 119.914 -0.020 0.000 2.358 210 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 210 V C 2.662 178.744 176.094 -0.020 0.000 1.047 210 V CA 1.607 63.897 62.300 -0.017 0.000 1.035 210 V CB -0.954 30.862 31.823 -0.013 0.000 0.658 210 V HN 0.424 nan 8.190 nan 0.000 0.452 211 I N -1.689 118.863 120.570 -0.030 0.000 2.264 211 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 211 I C 2.495 178.599 176.117 -0.022 0.000 1.111 211 I CA 1.804 63.089 61.300 -0.025 0.000 1.382 211 I CB -0.695 37.285 38.000 -0.032 0.000 1.060 211 I HN 0.141 nan 8.210 nan 0.000 0.418 212 K N 1.346 121.730 120.400 -0.026 0.000 2.026 212 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 212 K C 2.158 178.747 176.600 -0.019 0.000 1.048 212 K CA 2.472 58.744 56.287 -0.026 0.000 0.929 212 K CB -0.289 32.192 32.500 -0.032 0.000 0.713 212 K HN 0.513 nan 8.250 nan 0.000 0.439 213 T N 0.679 115.223 114.554 -0.016 0.000 2.737 213 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 213 T C 2.107 176.801 174.700 -0.009 0.000 1.038 213 T CA 1.349 63.442 62.100 -0.012 0.000 1.144 213 T CB -0.435 68.428 68.868 -0.009 0.000 0.866 213 T HN -0.053 nan 8.240 nan 0.000 0.434 214 V N 2.360 122.270 119.914 -0.008 0.000 2.343 214 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 214 V C 2.918 179.009 176.094 -0.006 0.000 1.051 214 V CA 2.153 64.450 62.300 -0.006 0.000 1.036 214 V CB -1.114 30.706 31.823 -0.005 0.000 0.654 214 V HN 0.800 nan 8.190 nan 0.000 0.451 215 T N -4.520 110.029 114.554 -0.008 0.000 2.985 215 T HA 0.497 4.847 4.350 -0.000 0.000 0.254 215 T C 1.371 176.066 174.700 -0.009 0.000 1.021 215 T CA 1.298 63.394 62.100 -0.008 0.000 0.957 215 T CB 1.213 70.076 68.868 -0.008 0.000 1.047 215 T HN 0.869 nan 8.240 nan 0.000 0.511 216 G N 2.721 111.514 108.800 -0.011 0.000 4.686 216 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 216 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 216 G C -0.114 174.776 174.900 -0.016 0.000 1.589 216 G CA -0.104 44.989 45.100 -0.012 0.000 1.172 216 G HN 0.998 nan 8.290 nan 0.000 0.660 217 E N 2.869 123.060 120.200 -0.015 0.000 2.465 217 E HA 0.411 4.761 4.350 -0.000 0.000 0.260 217 E C -0.443 176.142 176.600 -0.026 0.000 0.980 217 E CA 0.337 56.727 56.400 -0.018 0.000 0.927 217 E CB 0.084 29.776 29.700 -0.014 0.000 0.934 217 E HN 0.656 nan 8.360 nan 0.000 0.459 218 D N 2.072 122.453 120.400 -0.032 0.000 2.362 218 D HA 0.321 4.961 4.640 -0.000 0.000 0.242 218 D C -0.402 175.870 176.300 -0.047 0.000 1.132 218 D CA -0.495 53.478 54.000 -0.045 0.000 0.907 218 D CB 0.930 41.699 40.800 -0.053 0.000 1.195 218 D HN 0.254 nan 8.370 nan 0.000 0.429 219 V N -0.512 119.364 119.914 -0.062 0.000 3.159 219 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 219 V C 0.299 176.332 176.094 -0.101 0.000 1.190 219 V CA -1.058 61.208 62.300 -0.058 0.000 1.037 219 V CB 2.340 34.143 31.823 -0.035 0.000 1.060 219 V HN 0.780 nan 8.190 nan 0.000 0.437 220 G N -0.024 108.727 108.800 -0.081 0.000 2.416 220 G HA2 0.545 4.505 3.960 -0.000 0.000 0.324 220 G HA3 0.545 4.505 3.960 -0.000 0.000 0.324 220 G C 0.099 174.999 174.900 -0.000 0.000 1.194 220 G CA -0.313 44.703 45.100 -0.141 0.000 0.922 220 G HN 0.400 nan 8.290 nan 0.000 0.467 221 F N 1.169 121.059 119.950 -0.100 0.000 2.111 221 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 221 F C 2.461 178.309 175.800 0.079 0.000 1.088 221 F CA 1.661 59.597 58.000 -0.106 0.000 1.243 221 F CB -0.602 38.229 39.000 -0.282 0.000 0.996 221 F HN 0.593 nan 8.300 nan 0.000 0.483 222 E N 0.530 120.913 120.200 0.304 0.000 2.058 222 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 222 E C 2.154 178.851 176.600 0.162 0.000 0.997 222 E CA 1.794 58.382 56.400 0.313 0.000 0.801 222 E CB -0.350 29.474 29.700 0.206 0.000 0.746 222 E HN 0.536 nan 8.360 nan 0.000 0.450 223 E N -0.429 119.830 120.200 0.099 0.000 2.047 223 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 223 E C 2.188 178.810 176.600 0.036 0.000 0.987 223 E CA 1.276 57.705 56.400 0.048 0.000 0.799 223 E CB -0.331 29.381 29.700 0.020 0.000 0.752 223 E HN 0.344 nan 8.360 nan 0.000 0.449 224 L N 0.074 121.329 121.223 0.055 0.000 2.005 224 L HA 0.144 4.484 4.340 -0.000 0.000 0.207 224 L C 0.918 177.804 176.870 0.025 0.000 1.072 224 L CA 2.009 56.869 54.840 0.033 0.000 0.744 224 L CB -0.199 41.869 42.059 0.014 0.000 0.895 224 L HN 0.126 nan 8.230 nan 0.000 0.433 225 G N -0.792 108.066 108.800 0.097 0.000 2.737 225 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 225 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 225 G C -0.831 174.117 174.900 0.081 0.000 1.482 225 G CA -0.012 45.068 45.100 -0.033 0.000 1.017 225 G HN 0.562 nan 8.290 nan 0.000 0.529 226 G N -0.172 108.572 108.800 -0.093 0.000 2.672 226 G HA2 0.683 4.643 3.960 -0.000 0.000 0.292 226 G HA3 0.683 4.643 3.960 -0.000 0.000 0.292 226 G C 0.754 175.596 174.900 -0.097 0.000 1.375 226 G CA 0.357 45.438 45.100 -0.031 0.000 0.890 226 G HN 1.071 nan 8.290 nan 0.000 0.476 227 A N 0.330 123.077 122.820 -0.123 0.000 1.877 227 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 227 A C 2.236 179.796 177.584 -0.041 0.000 1.186 227 A CA 2.151 54.140 52.037 -0.080 0.000 0.620 227 A CB -0.449 18.471 19.000 -0.133 0.000 0.822 227 A HN 0.661 nan 8.150 nan 0.000 0.443 228 R N -0.868 119.606 120.500 -0.044 0.000 2.081 228 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 228 R C 2.174 178.474 176.300 -0.000 0.000 1.131 228 R CA 2.107 58.194 56.100 -0.021 0.000 0.960 228 R CB -0.620 29.672 30.300 -0.014 0.000 0.856 228 R HN 0.494 nan 8.270 nan 0.000 0.436 229 T N 0.192 114.735 114.554 -0.019 0.000 2.746 229 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 229 T C 1.505 176.186 174.700 -0.032 0.000 1.039 229 T CA 1.319 63.399 62.100 -0.033 0.000 1.142 229 T CB -0.401 68.427 68.868 -0.067 0.000 0.866 229 T HN 0.337 nan 8.240 nan 0.000 0.444 230 H N 1.289 120.336 119.070 -0.038 0.000 2.319 230 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 230 H C 2.376 177.626 175.328 -0.129 0.000 1.092 230 H CA 1.390 57.389 56.048 -0.080 0.000 1.302 230 H CB -0.510 29.207 29.762 -0.075 0.000 1.373 230 H HN 0.317 nan 8.280 nan 0.000 0.497 231 N N -0.315 118.411 118.700 0.044 0.000 2.084 231 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 231 N C 2.107 177.626 175.510 0.015 0.000 1.030 231 N CA 2.196 55.243 53.050 -0.005 0.000 0.849 231 N CB 0.100 38.588 38.487 0.001 0.000 1.012 231 N HN 0.343 nan 8.380 nan 0.000 0.423 232 S N -1.684 114.068 115.700 0.086 0.000 2.655 232 S HA 0.012 4.482 4.470 -0.000 0.000 0.231 232 S C 2.082 176.893 174.600 0.353 0.000 1.044 232 S CA 0.821 59.168 58.200 0.246 0.000 0.910 232 S CB -0.833 62.464 63.200 0.161 0.000 0.833 232 S HN 0.378 nan 8.310 nan 0.000 0.581 233 T N 1.926 116.589 114.554 0.183 0.000 2.737 233 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 233 T C 2.236 177.033 174.700 0.162 0.000 1.038 233 T CA 1.932 64.138 62.100 0.177 0.000 1.144 233 T CB -1.134 67.790 68.868 0.094 0.000 0.866 233 T HN 0.584 nan 8.240 nan 0.000 0.434 234 S N 1.261 116.974 115.700 0.022 0.000 2.368 234 S HA 0.263 4.733 4.470 -0.000 0.000 0.224 234 S C 2.277 176.671 174.600 -0.345 0.000 1.029 234 S CA 1.250 59.412 58.200 -0.062 0.000 0.988 234 S CB -1.209 61.993 63.200 0.004 0.000 0.838 234 S HN 1.561 nan 8.310 nan 0.000 0.462 235 G N -0.124 108.039 108.800 -1.061 0.000 2.176 235 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 235 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 235 G C 0.841 175.295 174.900 -0.744 0.000 0.979 235 G CA 0.396 44.387 45.100 -1.849 0.000 0.641 235 G HN 0.793 nan 8.290 nan 0.000 0.530 236 V N 0.136 119.808 119.914 -0.403 0.000 2.358 236 V HA 0.376 4.496 4.120 -0.000 0.000 0.246 236 V C 1.713 177.636 176.094 -0.284 0.000 1.047 236 V CA 2.341 64.488 62.300 -0.254 0.000 1.035 236 V CB -0.506 31.225 31.823 -0.152 0.000 0.658 236 V HN 1.536 nan 8.190 nan 0.000 0.452 237 A N -1.938 120.725 122.820 -0.260 0.000 2.343 237 A HA 0.603 4.923 4.320 -0.000 0.000 0.316 237 A C 0.383 177.922 177.584 -0.076 0.000 1.104 237 A CA -0.477 51.462 52.037 -0.163 0.000 0.768 237 A CB 0.720 19.627 19.000 -0.155 0.000 1.213 237 A HN 0.412 nan 8.150 nan 0.000 0.456 238 H N 0.183 119.333 119.070 0.134 0.000 2.353 238 H HA -0.019 4.537 4.556 -0.000 0.000 0.300 238 H C 0.591 176.020 175.328 0.169 0.000 1.090 238 H CA 2.649 58.833 56.048 0.228 0.000 1.327 238 H CB 0.039 30.047 29.762 0.410 0.000 1.383 238 H HN 0.781 nan 8.280 nan 0.000 0.508 239 H N -0.893 118.195 119.070 0.030 0.000 2.865 239 H HA 0.455 5.011 4.556 -0.000 0.000 0.372 239 H C -1.107 174.103 175.328 -0.197 0.000 1.173 239 H CA -1.182 54.733 56.048 -0.222 0.000 1.147 239 H CB 1.196 30.463 29.762 -0.825 0.000 1.805 239 H HN 0.070 nan 8.280 nan 0.000 0.553 240 M N 3.188 122.328 119.600 -0.768 0.000 2.321 240 M HA 0.714 5.194 4.480 -0.000 0.000 0.315 240 M C -1.615 174.144 176.300 -0.902 0.000 1.052 240 M CA -0.741 54.190 55.300 -0.616 0.000 0.936 240 M CB 1.317 33.725 32.600 -0.321 0.000 1.639 240 M HN 0.718 nan 8.290 nan 0.000 0.433 241 A N 2.928 125.439 122.820 -0.514 0.000 2.386 241 A HA 0.710 5.030 4.320 -0.000 0.000 0.311 241 A C 0.597 178.095 177.584 -0.144 0.000 1.068 241 A CA -0.309 51.545 52.037 -0.305 0.000 0.743 241 A CB 1.340 20.267 19.000 -0.121 0.000 1.258 241 A HN 1.026 nan 8.150 nan 0.000 0.429 242 G N 0.661 109.414 108.800 -0.079 0.000 2.421 242 G HA2 0.203 4.163 3.960 -0.000 0.000 0.216 242 G HA3 0.203 4.163 3.960 -0.000 0.000 0.216 242 G C 0.204 175.080 174.900 -0.039 0.000 1.171 242 G CA 1.517 46.585 45.100 -0.054 0.000 0.775 242 G HN 0.974 nan 8.290 nan 0.000 0.543 243 D N -2.368 118.018 120.400 -0.023 0.000 2.599 243 D HA 0.250 4.890 4.640 -0.000 0.000 0.252 243 D C 0.287 176.582 176.300 -0.009 0.000 1.232 243 D CA -0.792 53.197 54.000 -0.019 0.000 0.819 243 D CB 0.794 41.587 40.800 -0.012 0.000 1.401 243 D HN -0.002 nan 8.370 nan 0.000 0.429 244 E N -0.096 120.096 120.200 -0.013 0.000 2.160 244 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 244 E C 1.719 178.323 176.600 0.006 0.000 0.991 244 E CA 1.487 57.882 56.400 -0.009 0.000 0.810 244 E CB 0.083 29.772 29.700 -0.018 0.000 0.742 244 E HN 0.529 nan 8.360 nan 0.000 0.466 245 K N 0.856 121.258 120.400 0.002 0.000 2.103 245 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 245 K C 1.171 177.790 176.600 0.031 0.000 1.048 245 K CA 1.769 58.060 56.287 0.006 0.000 0.930 245 K CB 0.012 32.511 32.500 -0.002 0.000 0.716 245 K HN 0.022 nan 8.250 nan 0.000 0.444 246 D N 0.635 121.060 120.400 0.041 0.000 2.117 246 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 246 D C 1.873 178.253 176.300 0.133 0.000 0.987 246 D CA 1.413 55.464 54.000 0.084 0.000 0.829 246 D CB -0.215 40.628 40.800 0.071 0.000 0.961 246 D HN 0.396 nan 8.370 nan 0.000 0.460 247 A N 0.555 123.426 122.820 0.085 0.000 1.877 247 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 247 A C 2.551 180.221 177.584 0.143 0.000 1.186 247 A CA 1.339 53.434 52.037 0.097 0.000 0.620 247 A CB -0.783 18.232 19.000 0.025 0.000 0.822 247 A HN 0.151 nan 8.150 nan 0.000 0.443 248 V N 0.036 120.000 119.914 0.084 0.000 2.358 248 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 248 V C 2.614 178.750 176.094 0.069 0.000 1.047 248 V CA 2.420 64.756 62.300 0.060 0.000 1.035 248 V CB -0.664 31.169 31.823 0.016 0.000 0.658 248 V HN 0.770 nan 8.190 nan 0.000 0.452 249 E N -0.169 120.077 120.200 0.077 0.000 2.110 249 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 249 E C 2.035 178.672 176.600 0.062 0.000 0.988 249 E CA 1.754 58.184 56.400 0.049 0.000 0.804 249 E CB -0.562 29.171 29.700 0.055 0.000 0.745 249 E HN 0.699 nan 8.360 nan 0.000 0.458 250 Y N -0.206 120.106 120.300 0.022 0.000 2.224 250 Y HA -0.181 4.369 4.550 -0.000 0.000 0.289 250 Y C 1.965 177.835 175.900 -0.050 0.000 1.146 250 Y CA 1.669 59.789 58.100 0.034 0.000 1.182 250 Y CB -0.076 38.432 38.460 0.081 0.000 0.983 250 Y HN -0.028 nan 8.280 nan 0.000 0.524 251 V N 0.711 120.728 119.914 0.172 0.000 2.343 251 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 251 V C 2.175 178.191 176.094 -0.130 0.000 1.051 251 V CA 2.313 64.631 62.300 0.030 0.000 1.036 251 V CB -0.567 31.299 31.823 0.071 0.000 0.654 251 V HN 0.347 nan 8.190 nan 0.000 0.451 252 K N -0.661 119.673 120.400 -0.111 0.000 2.026 252 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 252 K C 2.378 178.816 176.600 -0.271 0.000 1.048 252 K CA 1.268 57.465 56.287 -0.150 0.000 0.929 252 K CB -0.242 32.199 32.500 -0.098 0.000 0.713 252 K HN 0.295 nan 8.250 nan 0.000 0.439 253 Q N 0.660 120.258 119.800 -0.337 0.000 2.124 253 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 253 Q C 2.118 177.621 176.000 -0.828 0.000 0.977 253 Q CA 1.020 56.502 55.803 -0.535 0.000 0.850 253 Q CB -0.313 28.147 28.738 -0.464 0.000 0.901 253 Q HN 0.185 nan 8.270 nan 0.000 0.429 254 L N 0.375 121.086 121.223 -0.854 0.000 2.012 254 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 254 L C 2.181 178.731 176.870 -0.534 0.000 1.073 254 L CA 1.510 55.834 54.840 -0.859 0.000 0.748 254 L CB -0.979 40.696 42.059 -0.639 0.000 0.891 254 L HN 0.221 nan 8.230 nan 0.000 0.431 255 L N -0.976 120.009 121.223 -0.396 0.000 2.131 255 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 255 L C 2.568 179.246 176.870 -0.321 0.000 1.092 255 L CA 1.380 56.050 54.840 -0.284 0.000 0.759 255 L CB -0.279 41.660 42.059 -0.198 0.000 0.903 255 L HN 0.499 nan 8.230 nan 0.000 0.435 256 S N -1.230 114.215 115.700 -0.426 0.000 2.370 256 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 256 S C 1.823 176.199 174.600 -0.374 0.000 1.033 256 S CA 1.161 59.122 58.200 -0.399 0.000 1.011 256 S CB -0.863 62.032 63.200 -0.508 0.000 0.852 256 S HN 0.374 nan 8.310 nan 0.000 0.457 257 Y N 1.987 122.084 120.300 -0.340 0.000 2.145 257 Y HA 0.193 4.743 4.550 -0.000 0.000 0.286 257 Y C 1.430 177.143 175.900 -0.311 0.000 1.145 257 Y CA 0.072 57.974 58.100 -0.331 0.000 1.148 257 Y CB -0.754 37.387 38.460 -0.532 0.000 0.981 257 Y HN 0.190 nan 8.280 nan 0.000 0.507 258 L N 2.326 123.422 121.223 -0.212 0.000 2.464 258 L HA 0.158 4.498 4.340 -0.000 0.000 0.264 258 L C -1.994 174.735 176.870 -0.235 0.000 1.199 258 L CA -2.053 52.635 54.840 -0.253 0.000 0.818 258 L CB 0.268 42.116 42.059 -0.352 0.000 1.102 258 L HN -0.067 nan 8.230 nan 0.000 0.473 259 P HA 0.134 nan 4.420 nan 0.000 0.276 259 P C -0.148 177.021 177.300 -0.219 0.000 1.244 259 P CA -0.418 62.576 63.100 -0.177 0.000 0.801 259 P CB 1.141 32.791 31.700 -0.084 0.000 1.006 260 S N 1.106 116.718 115.700 -0.146 0.000 2.368 260 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 260 S C 0.909 175.438 174.600 -0.119 0.000 1.030 260 S CA 1.438 59.560 58.200 -0.130 0.000 0.999 260 S CB -0.760 62.387 63.200 -0.088 0.000 0.844 260 S HN 0.786 nan 8.310 nan 0.000 0.459 261 N N 0.226 118.886 118.700 -0.068 0.000 2.610 261 N HA 0.250 4.990 4.740 -0.000 0.000 0.264 261 N C -0.103 175.457 175.510 0.084 0.000 1.348 261 N CA -0.686 52.373 53.050 0.014 0.000 0.819 261 N CB 0.387 38.876 38.487 0.004 0.000 1.521 261 N HN -0.053 nan 8.380 nan 0.000 0.497 262 N N 0.586 119.398 118.700 0.188 0.000 2.289 262 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 262 N C 0.793 176.366 175.510 0.105 0.000 1.016 262 N CA 0.860 54.056 53.050 0.242 0.000 0.872 262 N CB -0.264 38.315 38.487 0.153 0.000 0.973 262 N HN 0.529 nan 8.380 nan 0.000 0.433 263 L N 0.933 122.192 121.223 0.060 0.000 2.131 263 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 263 L C 0.534 177.415 176.870 0.018 0.000 1.092 263 L CA 1.011 55.867 54.840 0.027 0.000 0.759 263 L CB -0.860 41.206 42.059 0.012 0.000 0.903 263 L HN 0.305 nan 8.230 nan 0.000 0.435 264 S N -0.943 114.765 115.700 0.014 0.000 2.472 264 S HA 0.433 4.903 4.470 -0.000 0.000 0.303 264 S C -0.265 174.332 174.600 -0.005 0.000 1.099 264 S CA -0.965 57.233 58.200 -0.004 0.000 1.077 264 S CB 2.094 65.281 63.200 -0.022 0.000 1.031 264 S HN 0.122 nan 8.310 nan 0.000 0.487 265 E N 2.500 122.694 120.200 -0.010 0.000 2.392 265 E HA 0.256 4.606 4.350 -0.000 0.000 0.259 265 E C -2.180 174.396 176.600 -0.040 0.000 1.108 265 E CA -1.762 54.633 56.400 -0.009 0.000 0.916 265 E CB -0.094 29.603 29.700 -0.004 0.000 0.989 265 E HN 0.467 nan 8.360 nan 0.000 0.432 266 P HA 0.058 nan 4.420 nan 0.000 0.269 266 P C -2.524 174.703 177.300 -0.120 0.000 1.215 266 P CA -1.351 61.710 63.100 -0.066 0.000 0.780 266 P CB -0.177 31.512 31.700 -0.018 0.000 0.898 267 P HA 0.223 nan 4.420 nan 0.000 0.273 267 P C -0.856 176.162 177.300 -0.470 0.000 1.428 267 P CA -0.037 62.880 63.100 -0.304 0.000 0.995 267 P CB 0.042 31.561 31.700 -0.301 0.000 1.286 268 A N 4.592 127.158 122.820 -0.423 0.000 2.287 268 A HA 0.635 4.955 4.320 -0.000 0.000 0.317 268 A C -0.650 176.673 177.584 -0.435 0.000 1.220 268 A CA -0.638 51.188 52.037 -0.351 0.000 0.835 268 A CB 0.206 19.131 19.000 -0.125 0.000 1.180 268 A HN 0.328 nan 8.150 nan 0.000 0.500 269 F N 4.267 124.216 119.950 -0.002 0.000 2.375 269 F HA 0.361 4.888 4.527 -0.000 0.000 0.362 269 F C -1.954 173.854 175.800 0.013 0.000 1.129 269 F CA -2.541 55.459 58.000 -0.001 0.000 1.154 269 F CB 1.059 40.053 39.000 -0.010 0.000 1.205 269 F HN 0.324 nan 8.300 nan 0.000 0.513 270 P HA 0.117 nan 4.420 nan 0.000 0.284 270 P C -0.982 176.374 177.300 0.093 0.000 1.343 270 P CA -0.263 62.891 63.100 0.090 0.000 0.826 270 P CB 0.598 32.331 31.700 0.054 0.000 0.956 271 E N 2.315 122.571 120.200 0.094 0.000 2.155 271 E HA 0.311 4.661 4.350 -0.000 0.000 0.264 271 E C -0.503 176.136 176.600 0.065 0.000 0.886 271 E CA -0.969 55.476 56.400 0.075 0.000 0.752 271 E CB 1.565 31.311 29.700 0.076 0.000 1.133 271 E HN 0.319 nan 8.360 nan 0.000 0.414 272 E N 2.536 122.767 120.200 0.052 0.000 2.437 272 E HA 0.213 4.563 4.350 -0.000 0.000 0.263 272 E C -0.999 175.628 176.600 0.047 0.000 1.030 272 E CA 0.071 56.499 56.400 0.047 0.000 0.934 272 E CB 0.746 30.468 29.700 0.037 0.000 0.943 272 E HN 0.644 nan 8.360 nan 0.000 0.444 273 A N 3.808 126.657 122.820 0.047 0.000 2.479 273 A HA 0.411 4.731 4.320 -0.000 0.000 0.296 273 A C -1.415 176.193 177.584 0.040 0.000 1.121 273 A CA -0.844 51.221 52.037 0.047 0.000 0.743 273 A CB 1.466 20.502 19.000 0.059 0.000 1.323 273 A HN 0.622 nan 8.150 nan 0.000 0.415 274 D N 1.457 121.880 120.400 0.038 0.000 2.373 274 D HA 0.462 5.102 4.640 -0.000 0.000 0.227 274 D C -0.439 175.882 176.300 0.033 0.000 1.091 274 D CA -0.046 53.972 54.000 0.031 0.000 0.840 274 D CB 0.999 41.815 40.800 0.026 0.000 1.060 274 D HN 0.270 nan 8.370 nan 0.000 0.502 275 L N 1.245 122.485 121.223 0.029 0.000 2.583 275 L HA 0.540 4.880 4.340 -0.000 0.000 0.239 275 L C 0.361 177.243 176.870 0.020 0.000 1.347 275 L CA -0.904 53.953 54.840 0.028 0.000 1.246 275 L CB -0.672 41.398 42.059 0.019 0.000 1.496 275 L HN 0.193 nan 8.230 nan 0.000 0.413 276 A N 0.128 122.963 122.820 0.024 0.000 2.319 276 A HA 0.689 5.009 4.320 -0.000 0.000 0.310 276 A C -0.163 177.435 177.584 0.024 0.000 1.152 276 A CA -0.631 51.417 52.037 0.019 0.000 0.783 276 A CB 1.164 20.174 19.000 0.015 0.000 1.184 276 A HN 0.081 nan 8.150 nan 0.000 0.474 277 V N 2.979 122.905 119.914 0.020 0.000 2.509 277 V HA 0.095 4.215 4.120 -0.000 0.000 0.297 277 V C 1.321 177.430 176.094 0.026 0.000 1.014 277 V CA 0.960 63.275 62.300 0.026 0.000 1.127 277 V CB 0.718 32.549 31.823 0.013 0.000 0.925 277 V HN 1.008 nan 8.190 nan 0.000 0.480 278 T N 3.120 117.696 114.554 0.036 0.000 2.788 278 T HA 0.083 4.433 4.350 -0.000 0.000 0.280 278 T C 1.195 175.916 174.700 0.035 0.000 0.984 278 T CA -0.426 61.694 62.100 0.032 0.000 0.972 278 T CB 0.709 69.598 68.868 0.034 0.000 1.039 278 T HN 0.802 nan 8.240 nan 0.000 0.530 279 D N 0.701 121.118 120.400 0.028 0.000 2.182 279 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 279 D C 1.715 178.041 176.300 0.045 0.000 0.986 279 D CA 1.103 55.120 54.000 0.028 0.000 0.847 279 D CB 0.156 40.968 40.800 0.020 0.000 0.942 279 D HN 0.534 nan 8.370 nan 0.000 0.467 280 E N 1.313 121.538 120.200 0.042 0.000 2.051 280 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 280 E C 1.515 178.197 176.600 0.137 0.000 0.991 280 E CA 1.013 57.435 56.400 0.036 0.000 0.799 280 E CB -0.186 29.511 29.700 -0.005 0.000 0.748 280 E HN 0.219 nan 8.360 nan 0.000 0.449 281 D N -0.198 120.293 120.400 0.152 0.000 2.178 281 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 281 D C 1.681 178.057 176.300 0.127 0.000 0.980 281 D CA 1.264 55.392 54.000 0.213 0.000 0.842 281 D CB -0.348 40.522 40.800 0.117 0.000 0.948 281 D HN 0.263 nan 8.370 nan 0.000 0.472 282 A N 1.182 124.049 122.820 0.078 0.000 2.024 282 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 282 A C 2.070 179.679 177.584 0.041 0.000 1.164 282 A CA 1.441 53.494 52.037 0.026 0.000 0.643 282 A CB -0.590 18.423 19.000 0.022 0.000 0.806 282 A HN 0.234 nan 8.150 nan 0.000 0.451 283 E N -0.547 119.738 120.200 0.141 0.000 2.209 283 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 283 E C 1.635 178.282 176.600 0.079 0.000 0.993 283 E CA 0.932 57.436 56.400 0.173 0.000 0.819 283 E CB -0.124 29.790 29.700 0.356 0.000 0.745 283 E HN 0.415 nan 8.360 nan 0.000 0.477 284 L N 1.719 122.923 121.223 -0.032 0.000 2.083 284 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 284 L C 1.820 178.558 176.870 -0.220 0.000 1.083 284 L CA 1.687 56.371 54.840 -0.258 0.000 0.752 284 L CB -0.746 41.071 42.059 -0.403 0.000 0.899 284 L HN 0.110 nan 8.230 nan 0.000 0.433 285 D N -1.069 119.222 120.400 -0.182 0.000 2.117 285 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 285 D C 1.929 178.151 176.300 -0.130 0.000 0.987 285 D CA 1.921 55.808 54.000 -0.189 0.000 0.829 285 D CB -0.040 40.681 40.800 -0.132 0.000 0.961 285 D HN 0.445 nan 8.370 nan 0.000 0.460 286 T N -1.629 112.874 114.554 -0.086 0.000 3.100 286 T HA 0.131 4.481 4.350 -0.000 0.000 0.253 286 T C 2.180 176.825 174.700 -0.091 0.000 1.118 286 T CA -0.086 61.972 62.100 -0.070 0.000 1.058 286 T CB -0.192 68.653 68.868 -0.039 0.000 0.953 286 T HN 0.096 nan 8.240 nan 0.000 0.515 287 I N 1.737 122.254 120.570 -0.089 0.000 2.226 287 I HA -0.054 4.116 4.170 -0.000 0.000 0.245 287 I C 0.736 176.612 176.117 -0.401 0.000 1.100 287 I CA 0.389 61.634 61.300 -0.091 0.000 1.374 287 I CB -0.430 37.602 38.000 0.053 0.000 1.057 287 I HN 0.143 nan 8.210 nan 0.000 0.413 288 V N 2.781 122.467 119.914 -0.380 0.000 2.673 288 V HA 0.058 4.178 4.120 -0.000 0.000 0.303 288 V C -1.939 173.903 176.094 -0.420 0.000 1.046 288 V CA -1.208 60.732 62.300 -0.600 0.000 1.126 288 V CB -0.653 31.067 31.823 -0.171 0.000 0.934 288 V HN 0.117 nan 8.190 nan 0.000 0.487 289 P HA 0.264 nan 4.420 nan 0.000 0.279 289 P C 0.190 177.434 177.300 -0.093 0.000 1.252 289 P CA -0.492 62.495 63.100 -0.189 0.000 0.811 289 P CB 1.182 32.803 31.700 -0.131 0.000 1.035 290 D N -0.456 119.913 120.400 -0.051 0.000 2.144 290 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 290 D C 0.968 177.267 176.300 -0.002 0.000 0.984 290 D CA 1.298 55.285 54.000 -0.022 0.000 0.834 290 D CB 0.051 40.843 40.800 -0.014 0.000 0.955 290 D HN 0.331 nan 8.370 nan 0.000 0.465 291 S N -0.327 115.375 115.700 0.003 0.000 2.573 291 S HA 0.233 4.703 4.470 -0.000 0.000 0.277 291 S C 1.229 175.853 174.600 0.040 0.000 1.346 291 S CA 0.017 58.231 58.200 0.023 0.000 1.034 291 S CB 1.598 64.814 63.200 0.027 0.000 0.879 291 S HN 0.179 nan 8.310 nan 0.000 0.528 292 A N 4.046 126.899 122.820 0.055 0.000 1.902 292 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 292 A C 1.652 179.289 177.584 0.088 0.000 1.181 292 A CA 1.546 53.630 52.037 0.078 0.000 0.623 292 A CB -0.448 18.603 19.000 0.086 0.000 0.818 292 A HN 0.882 nan 8.150 nan 0.000 0.443 293 N N -1.089 117.657 118.700 0.076 0.000 2.184 293 N HA 0.055 4.795 4.740 -0.000 0.000 0.206 293 N C 0.101 175.658 175.510 0.078 0.000 1.151 293 N CA -0.035 53.061 53.050 0.077 0.000 0.878 293 N CB 0.446 38.971 38.487 0.064 0.000 1.014 293 N HN 0.605 nan 8.380 nan 0.000 0.512 294 Q N 3.115 122.967 119.800 0.085 0.000 2.369 294 Q HA 0.176 4.516 4.340 -0.000 0.000 0.247 294 Q C -2.391 173.705 176.000 0.159 0.000 1.083 294 Q CA -1.629 54.226 55.803 0.087 0.000 0.905 294 Q CB 0.842 29.614 28.738 0.058 0.000 1.305 294 Q HN 0.058 nan 8.270 nan 0.000 0.465 295 P HA 0.013 nan 4.420 nan 0.000 0.271 295 P C -1.472 175.964 177.300 0.226 0.000 1.216 295 P CA 0.249 63.436 63.100 0.145 0.000 0.771 295 P CB 0.227 31.954 31.700 0.045 0.000 0.864 296 Y N -0.895 119.409 120.300 0.006 0.000 2.562 296 Y HA 0.498 5.048 4.550 -0.000 0.000 0.345 296 Y C -0.671 175.236 175.900 0.012 0.000 1.045 296 Y CA -1.839 56.272 58.100 0.018 0.000 1.028 296 Y CB 0.567 39.046 38.460 0.032 0.000 1.297 296 Y HN 0.196 nan 8.280 nan 0.000 0.463 297 D N 2.564 122.962 120.400 -0.004 0.000 2.390 297 D HA 0.006 4.646 4.640 -0.000 0.000 0.249 297 D C 0.744 176.935 176.300 -0.182 0.000 1.144 297 D CA 0.063 54.026 54.000 -0.062 0.000 0.880 297 D CB 1.337 42.184 40.800 0.078 0.000 1.182 297 D HN 0.836 nan 8.370 nan 0.000 0.451 298 M N 4.411 123.840 119.600 -0.285 0.000 2.175 298 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 298 M C 1.685 177.807 176.300 -0.297 0.000 1.063 298 M CA 1.530 56.620 55.300 -0.350 0.000 1.119 298 M CB -0.585 31.755 32.600 -0.433 0.000 1.377 298 M HN 0.475 nan 8.290 nan 0.000 0.415 299 H N -1.670 117.330 119.070 -0.117 0.000 2.421 299 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 299 H C 2.302 177.599 175.328 -0.052 0.000 1.087 299 H CA 1.744 57.728 56.048 -0.108 0.000 1.330 299 H CB -0.645 29.112 29.762 -0.008 0.000 1.388 299 H HN 0.443 nan 8.280 nan 0.000 0.526 300 S N 0.593 116.376 115.700 0.139 0.000 2.382 300 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 300 S C 2.362 177.160 174.600 0.331 0.000 1.027 300 S CA 1.213 59.540 58.200 0.211 0.000 0.991 300 S CB -0.399 62.941 63.200 0.232 0.000 0.823 300 S HN 0.179 nan 8.310 nan 0.000 0.469 301 V N 1.974 121.980 119.914 0.153 0.000 2.295 301 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 301 V C 2.331 178.413 176.094 -0.019 0.000 1.049 301 V CA 1.907 64.270 62.300 0.104 0.000 1.024 301 V CB -0.824 31.010 31.823 0.019 0.000 0.648 301 V HN 0.503 nan 8.190 nan 0.000 0.447 302 I N 0.225 120.643 120.570 -0.252 0.000 2.179 302 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 302 I C 2.673 178.675 176.117 -0.192 0.000 1.088 302 I CA 1.684 62.699 61.300 -0.476 0.000 1.357 302 I CB -0.479 37.082 38.000 -0.731 0.000 1.051 302 I HN 0.383 nan 8.210 nan 0.000 0.409 303 E N -0.198 119.977 120.200 -0.041 0.000 2.204 303 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 303 E C 1.999 178.640 176.600 0.068 0.000 0.990 303 E CA 1.017 57.442 56.400 0.041 0.000 0.821 303 E CB -0.203 29.530 29.700 0.056 0.000 0.750 303 E HN 0.578 nan 8.360 nan 0.000 0.477 304 H N 0.121 119.216 119.070 0.041 0.000 2.290 304 H HA -0.138 4.418 4.556 -0.000 0.000 0.298 304 H C 2.211 177.594 175.328 0.092 0.000 1.087 304 H CA 2.022 58.119 56.048 0.081 0.000 1.291 304 H CB -0.117 29.717 29.762 0.120 0.000 1.369 304 H HN 0.012 nan 8.280 nan 0.000 0.492 305 V N 0.086 120.137 119.914 0.229 0.000 2.358 305 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 305 V C 1.317 177.502 176.094 0.152 0.000 1.047 305 V CA 0.707 63.128 62.300 0.202 0.000 1.035 305 V CB -0.661 31.308 31.823 0.243 0.000 0.658 305 V HN 0.138 nan 8.190 nan 0.000 0.452 306 L N 1.794 123.091 121.223 0.122 0.000 2.453 306 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 306 L C -0.073 176.874 176.870 0.127 0.000 1.182 306 L CA -0.167 54.753 54.840 0.133 0.000 0.858 306 L CB -0.016 42.129 42.059 0.142 0.000 1.120 306 L HN 0.265 nan 8.230 nan 0.000 0.474 307 D N 2.578 123.059 120.400 0.135 0.000 2.450 307 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 307 D C 0.454 176.822 176.300 0.113 0.000 1.162 307 D CA 0.365 54.435 54.000 0.117 0.000 0.879 307 D CB 0.626 41.498 40.800 0.121 0.000 1.163 307 D HN 0.492 nan 8.370 nan 0.000 0.472 308 D N 1.809 122.261 120.400 0.086 0.000 2.978 308 D HA -0.269 4.371 4.640 -0.000 0.000 0.205 308 D C 0.728 177.076 176.300 0.080 0.000 1.093 308 D CA 1.430 55.476 54.000 0.076 0.000 1.006 308 D CB -1.230 39.615 40.800 0.075 0.000 1.116 308 D HN 0.659 nan 8.370 nan 0.000 0.419 309 A N -1.492 121.382 122.820 0.090 0.000 2.905 309 A HA -0.273 4.047 4.320 -0.000 0.000 0.260 309 A C 0.155 177.808 177.584 0.116 0.000 1.398 309 A CA 1.619 53.703 52.037 0.077 0.000 0.840 309 A CB -1.043 17.977 19.000 0.032 0.000 1.059 309 A HN 0.263 nan 8.150 nan 0.000 0.647 310 E N -0.707 119.587 120.200 0.156 0.000 2.113 310 E HA 0.578 4.928 4.350 -0.000 0.000 0.273 310 E C -1.123 175.661 176.600 0.306 0.000 0.924 310 E CA -0.359 56.160 56.400 0.198 0.000 0.764 310 E CB 0.933 30.738 29.700 0.175 0.000 1.104 310 E HN 0.494 nan 8.360 nan 0.000 0.406 311 F N 4.832 124.856 119.950 0.122 0.000 2.449 311 F HA 0.409 4.936 4.527 -0.000 0.000 0.342 311 F C -1.551 174.348 175.800 0.164 0.000 1.127 311 F CA -1.686 56.388 58.000 0.123 0.000 0.975 311 F CB 0.625 39.662 39.000 0.061 0.000 1.146 311 F HN 0.282 nan 8.300 nan 0.000 0.444 312 F N 7.169 126.881 119.950 -0.397 0.000 2.332 312 F HA 0.364 4.891 4.527 -0.000 0.000 0.368 312 F C -0.412 174.913 175.800 -0.790 0.000 1.110 312 F CA -0.377 57.335 58.000 -0.481 0.000 1.087 312 F CB 0.498 39.472 39.000 -0.042 0.000 1.235 312 F HN 0.639 nan 8.300 nan 0.000 0.470 313 E N 4.896 124.314 120.200 -1.303 0.000 2.166 313 E HA 0.357 4.707 4.350 -0.000 0.000 0.275 313 E C -1.100 175.217 176.600 -0.473 0.000 0.941 313 E CA -0.718 55.108 56.400 -0.956 0.000 0.784 313 E CB 1.448 30.721 29.700 -0.711 0.000 1.115 313 E HN 0.598 nan 8.360 nan 0.000 0.399 314 T N 2.256 116.697 114.554 -0.188 0.000 2.797 314 T HA 0.219 4.569 4.350 -0.000 0.000 0.279 314 T C -0.067 174.714 174.700 0.135 0.000 0.991 314 T CA -0.392 61.762 62.100 0.090 0.000 0.979 314 T CB 1.165 70.231 68.868 0.330 0.000 0.943 314 T HN 0.751 nan 8.240 nan 0.000 0.444 315 Q N 1.614 121.542 119.800 0.214 0.000 2.470 315 Q HA -0.111 4.229 4.340 -0.000 0.000 0.294 315 Q C -1.986 174.110 176.000 0.161 0.000 1.356 315 Q CA 0.309 56.229 55.803 0.194 0.000 0.805 315 Q CB -1.428 27.451 28.738 0.235 0.000 1.157 315 Q HN 0.634 nan 8.270 nan 0.000 0.431 316 P HA -0.161 nan 4.420 nan 0.000 0.217 316 P C 1.253 178.619 177.300 0.110 0.000 1.150 316 P CA 0.778 63.933 63.100 0.091 0.000 0.832 316 P CB 0.174 31.902 31.700 0.047 0.000 0.787 317 L N -2.281 119.014 121.223 0.121 0.000 2.131 317 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 317 L C 1.069 178.060 176.870 0.203 0.000 1.092 317 L CA 1.198 56.116 54.840 0.130 0.000 0.759 317 L CB -1.280 40.847 42.059 0.112 0.000 0.903 317 L HN -0.048 nan 8.230 nan 0.000 0.435 318 F N 0.481 120.458 119.950 0.045 0.000 2.405 318 F HA 0.535 5.061 4.527 -0.000 0.000 0.355 318 F C 0.827 176.663 175.800 0.060 0.000 1.121 318 F CA -1.063 56.967 58.000 0.051 0.000 1.112 318 F CB 0.317 39.341 39.000 0.041 0.000 1.126 318 F HN 0.100 nan 8.300 nan 0.000 0.481 319 A N 6.088 128.640 122.820 -0.446 0.000 2.183 319 A HA -0.174 4.146 4.320 -0.000 0.000 0.278 319 A C -2.152 175.380 177.584 -0.087 0.000 1.404 319 A CA 0.253 52.077 52.037 -0.355 0.000 0.737 319 A CB -1.721 16.942 19.000 -0.563 0.000 1.172 319 A HN 0.624 nan 8.150 nan 0.000 0.338 320 P HA -0.097 nan 4.420 nan 0.000 0.239 320 P C 1.112 178.422 177.300 0.017 0.000 1.184 320 P CA 1.191 64.308 63.100 0.028 0.000 0.760 320 P CB -0.024 31.690 31.700 0.023 0.000 0.884 321 N N -0.620 118.113 118.700 0.055 0.000 2.459 321 N HA -0.052 4.688 4.740 -0.000 0.000 0.181 321 N C 0.706 176.205 175.510 -0.017 0.000 1.046 321 N CA 0.649 53.748 53.050 0.082 0.000 0.904 321 N CB 0.092 38.672 38.487 0.155 0.000 0.964 321 N HN 0.261 nan 8.380 nan 0.000 0.444 322 I N 0.554 121.101 120.570 -0.038 0.000 2.647 322 I HA 0.340 4.510 4.170 -0.000 0.000 0.295 322 I C -1.503 174.568 176.117 -0.076 0.000 1.078 322 I CA -1.002 60.259 61.300 -0.065 0.000 1.048 322 I CB 1.808 39.784 38.000 -0.040 0.000 1.239 322 I HN -0.200 nan 8.210 nan 0.000 0.421 323 L N 5.756 126.909 121.223 -0.118 0.000 2.346 323 L HA 0.750 5.090 4.340 -0.000 0.000 0.274 323 L C -0.255 176.539 176.870 -0.127 0.000 1.007 323 L CA -0.472 54.311 54.840 -0.095 0.000 0.818 323 L CB 1.909 43.871 42.059 -0.162 0.000 1.284 323 L HN 0.581 nan 8.230 nan 0.000 0.424 324 T N -1.365 113.114 114.554 -0.124 0.000 2.865 324 T HA 0.982 5.332 4.350 -0.000 0.000 0.294 324 T C -0.196 174.443 174.700 -0.102 0.000 1.119 324 T CA -0.257 61.596 62.100 -0.413 0.000 1.007 324 T CB 2.313 70.315 68.868 -1.444 0.000 1.225 324 T HN 1.123 nan 8.240 nan 0.000 0.515 325 G N -0.247 108.376 108.800 -0.295 0.000 2.344 325 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 325 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 325 G C -2.192 172.552 174.900 -0.260 0.000 1.281 325 G CA -0.878 44.007 45.100 -0.359 0.000 0.877 325 G HN 0.743 nan 8.290 nan 0.000 0.494 326 F N -0.664 119.330 119.950 0.074 0.000 2.706 326 F HA 0.884 5.411 4.527 -0.000 0.000 0.328 326 F C 0.716 176.443 175.800 -0.121 0.000 1.123 326 F CA 0.065 57.956 58.000 -0.182 0.000 0.978 326 F CB 2.302 40.686 39.000 -1.027 0.000 1.404 326 F HN 1.075 nan 8.300 nan 0.000 0.497 327 G N 0.131 108.988 108.800 0.095 0.000 2.601 327 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 327 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 327 G C -2.185 172.893 174.900 0.296 0.000 1.456 327 G CA -1.100 44.164 45.100 0.273 0.000 0.804 327 G HN 0.481 nan 8.290 nan 0.000 0.499 328 R N 0.063 120.741 120.500 0.297 0.000 2.494 328 R HA 0.612 4.952 4.340 -0.000 0.000 0.305 328 R C -1.152 175.260 176.300 0.186 0.000 0.959 328 R CA -0.757 55.489 56.100 0.244 0.000 0.864 328 R CB 2.597 33.044 30.300 0.243 0.000 1.159 328 R HN 0.279 nan 8.270 nan 0.000 0.446 329 V N 3.593 123.604 119.914 0.162 0.000 2.384 329 V HA 0.128 4.248 4.120 -0.000 0.000 0.287 329 V C 0.388 176.552 176.094 0.116 0.000 1.020 329 V CA -0.534 61.849 62.300 0.137 0.000 0.850 329 V CB 1.391 33.296 31.823 0.137 0.000 0.987 329 V HN 0.839 nan 8.190 nan 0.000 0.436 330 E N 3.307 123.570 120.200 0.106 0.000 2.883 330 E HA -0.260 4.090 4.350 -0.000 0.000 0.271 330 E C 1.137 177.795 176.600 0.098 0.000 1.049 330 E CA 1.160 57.614 56.400 0.091 0.000 0.817 330 E CB -1.466 28.281 29.700 0.078 0.000 1.407 330 E HN 1.703 nan 8.360 nan 0.000 0.434 331 G N -0.000 108.871 108.800 0.118 0.000 2.225 331 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 331 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 331 G C 0.001 174.963 174.900 0.105 0.000 1.060 331 G CA 0.700 45.881 45.100 0.136 0.000 0.833 331 G HN 0.263 nan 8.290 nan 0.000 0.498 332 R N -0.560 120.001 120.500 0.100 0.000 2.744 332 R HA 0.653 4.993 4.340 -0.000 0.000 0.279 332 R C -2.836 173.539 176.300 0.125 0.000 0.977 332 R CA -2.015 54.131 56.100 0.077 0.000 0.906 332 R CB 1.680 32.013 30.300 0.055 0.000 1.197 332 R HN 0.041 nan 8.270 nan 0.000 0.463 333 P HA 0.133 nan 4.420 nan 0.000 0.271 333 P C -1.013 176.398 177.300 0.185 0.000 1.218 333 P CA -0.441 62.788 63.100 0.215 0.000 0.780 333 P CB 0.894 32.716 31.700 0.204 0.000 0.901 334 V N -0.298 119.745 119.914 0.215 0.000 3.114 334 V HA 0.944 5.064 4.120 -0.000 0.000 0.308 334 V C -0.483 175.781 176.094 0.283 0.000 1.168 334 V CA -0.989 61.439 62.300 0.214 0.000 1.015 334 V CB 1.985 33.920 31.823 0.187 0.000 1.050 334 V HN 0.598 nan 8.190 nan 0.000 0.433 335 G N 2.220 111.180 108.800 0.266 0.000 2.416 335 G HA2 0.729 4.689 3.960 -0.000 0.000 0.324 335 G HA3 0.729 4.689 3.960 -0.000 0.000 0.324 335 G C -0.987 174.072 174.900 0.264 0.000 1.194 335 G CA -0.734 44.517 45.100 0.251 0.000 0.922 335 G HN 0.854 nan 8.290 nan 0.000 0.467 336 I N 1.992 122.733 120.570 0.285 0.000 2.406 336 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 336 I C -0.561 175.628 176.117 0.121 0.000 0.999 336 I CA -0.987 60.404 61.300 0.152 0.000 1.124 336 I CB 2.263 40.208 38.000 -0.091 0.000 1.289 336 I HN 0.049 nan 8.210 nan 0.000 0.441 337 V N 5.355 125.354 119.914 0.142 0.000 2.540 337 V HA 0.836 4.956 4.120 -0.000 0.000 0.302 337 V C -0.231 175.891 176.094 0.047 0.000 1.035 337 V CA -0.306 62.038 62.300 0.074 0.000 0.873 337 V CB 1.814 33.742 31.823 0.175 0.000 0.992 337 V HN 0.865 nan 8.190 nan 0.000 0.428 338 A N 4.140 126.927 122.820 -0.056 0.000 2.498 338 A HA 0.781 5.101 4.320 -0.000 0.000 0.298 338 A C -0.641 176.884 177.584 -0.098 0.000 1.075 338 A CA -0.898 51.089 52.037 -0.085 0.000 0.714 338 A CB 1.254 20.124 19.000 -0.216 0.000 1.299 338 A HN 0.851 nan 8.150 nan 0.000 0.407 339 N N 0.939 119.578 118.700 -0.102 0.000 2.508 339 N HA 0.410 5.150 4.740 -0.000 0.000 0.264 339 N C -0.288 175.118 175.510 -0.173 0.000 1.216 339 N CA -0.064 52.914 53.050 -0.120 0.000 0.943 339 N CB 0.529 38.942 38.487 -0.124 0.000 1.113 339 N HN 0.642 nan 8.380 nan 0.000 0.447 340 Q N 2.094 121.803 119.800 -0.152 0.000 2.307 340 Q HA 0.391 4.731 4.340 -0.000 0.000 0.262 340 Q C -2.265 173.647 176.000 -0.146 0.000 0.961 340 Q CA -2.135 53.556 55.803 -0.186 0.000 0.882 340 Q CB 1.712 30.353 28.738 -0.161 0.000 1.264 340 Q HN 0.300 nan 8.270 nan 0.000 0.446 341 P HA -0.137 nan 4.420 nan 0.000 0.218 341 P C 0.943 178.182 177.300 -0.101 0.000 1.149 341 P CA 1.279 64.294 63.100 -0.141 0.000 0.817 341 P CB 0.159 31.733 31.700 -0.209 0.000 0.785 342 M N -1.514 118.018 119.600 -0.113 0.000 2.149 342 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 342 M C 0.921 177.142 176.300 -0.133 0.000 1.064 342 M CA 1.544 56.790 55.300 -0.090 0.000 1.102 342 M CB -1.063 31.498 32.600 -0.064 0.000 1.369 342 M HN 0.047 nan 8.290 nan 0.000 0.408 343 Q N -0.375 119.336 119.800 -0.148 0.000 2.333 343 Q HA 0.257 4.597 4.340 -0.000 0.000 0.265 343 Q C -0.578 175.344 176.000 -0.129 0.000 0.989 343 Q CA -0.377 55.251 55.803 -0.292 0.000 0.842 343 Q CB 1.135 29.742 28.738 -0.219 0.000 1.262 343 Q HN 0.404 nan 8.270 nan 0.000 0.451 344 F N 1.023 120.956 119.950 -0.029 0.000 3.093 344 F HA -0.365 4.162 4.527 -0.000 0.000 0.287 344 F C 0.966 176.749 175.800 -0.029 0.000 0.882 344 F CA 0.535 58.521 58.000 -0.025 0.000 1.063 344 F CB -2.090 36.893 39.000 -0.028 0.000 1.097 344 F HN 0.774 nan 8.300 nan 0.000 0.604 345 A N -1.059 121.800 122.820 0.065 0.000 2.799 345 A HA 0.123 4.443 4.320 -0.000 0.000 0.287 345 A C 2.022 179.617 177.584 0.019 0.000 1.484 345 A CA 1.561 53.620 52.037 0.037 0.000 0.813 345 A CB -1.804 17.231 19.000 0.057 0.000 1.009 345 A HN 2.583 nan 8.150 nan 0.000 0.545 346 G N -2.836 105.974 108.800 0.018 0.000 2.155 346 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.257 346 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.257 346 G C 1.346 176.217 174.900 -0.049 0.000 0.983 346 G CA 1.319 46.396 45.100 -0.038 0.000 0.676 346 G HN 2.622 nan 8.290 nan 0.000 0.528 347 C N -0.505 118.790 119.300 -0.008 0.000 2.500 347 C HA 0.807 5.267 4.460 -0.000 0.000 0.367 347 C C 1.337 176.296 174.990 -0.052 0.000 1.283 347 C CA -1.712 57.268 59.018 -0.063 0.000 2.456 347 C CB 0.304 28.029 27.740 -0.024 0.000 2.457 347 C HN 0.476 nan 8.230 nan 0.000 0.632 348 L N 3.227 124.400 121.223 -0.085 0.000 2.426 348 L HA 0.437 4.777 4.340 -0.000 0.000 0.271 348 L C 0.327 177.237 176.870 0.067 0.000 1.169 348 L CA 0.891 55.757 54.840 0.044 0.000 0.836 348 L CB 0.415 42.610 42.059 0.226 0.000 1.112 348 L HN 0.994 nan 8.230 nan 0.000 0.465 349 D N 1.443 121.843 120.400 -0.001 0.000 2.692 349 D HA 0.094 4.734 4.640 -0.000 0.000 0.290 349 D C 0.559 176.828 176.300 -0.052 0.000 1.281 349 D CA -0.631 53.349 54.000 -0.033 0.000 0.804 349 D CB 0.526 41.236 40.800 -0.150 0.000 1.331 349 D HN 0.412 nan 8.370 nan 0.000 0.432 350 I N -1.728 118.813 120.570 -0.047 0.000 2.361 350 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 350 I C 1.957 178.057 176.117 -0.028 0.000 1.133 350 I CA 2.021 63.312 61.300 -0.015 0.000 1.413 350 I CB -0.981 37.021 38.000 0.003 0.000 1.073 350 I HN 0.533 nan 8.210 nan 0.000 0.424 351 T N -0.048 114.437 114.554 -0.115 0.000 2.746 351 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 351 T C 2.070 176.567 174.700 -0.339 0.000 1.039 351 T CA 1.240 63.169 62.100 -0.286 0.000 1.142 351 T CB -0.718 67.824 68.868 -0.545 0.000 0.866 351 T HN 0.497 nan 8.240 nan 0.000 0.444 352 A N 1.092 123.778 122.820 -0.223 0.000 1.898 352 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 352 A C 2.728 180.312 177.584 -0.000 0.000 1.181 352 A CA 1.881 53.854 52.037 -0.106 0.000 0.620 352 A CB -1.277 17.679 19.000 -0.074 0.000 0.819 352 A HN 0.519 nan 8.150 nan 0.000 0.442 353 S N -0.625 115.089 115.700 0.025 0.000 2.356 353 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 353 S C 1.988 176.639 174.600 0.083 0.000 1.032 353 S CA 1.628 59.872 58.200 0.074 0.000 1.005 353 S CB -0.337 62.909 63.200 0.076 0.000 0.867 353 S HN 0.640 nan 8.310 nan 0.000 0.449 354 E N 0.607 120.858 120.200 0.085 0.000 2.072 354 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 354 E C 2.240 178.941 176.600 0.167 0.000 0.985 354 E CA 0.719 57.194 56.400 0.125 0.000 0.801 354 E CB -0.197 29.597 29.700 0.156 0.000 0.750 354 E HN 0.366 nan 8.360 nan 0.000 0.452 355 K N 1.132 121.645 120.400 0.187 0.000 2.057 355 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 355 K C 2.079 178.788 176.600 0.180 0.000 1.049 355 K CA 1.209 57.638 56.287 0.237 0.000 0.931 355 K CB -0.097 32.525 32.500 0.204 0.000 0.714 355 K HN 0.046 nan 8.250 nan 0.000 0.440 356 A N 1.047 123.941 122.820 0.123 0.000 1.898 356 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 356 A C 2.359 180.032 177.584 0.147 0.000 1.181 356 A CA 1.894 54.009 52.037 0.131 0.000 0.620 356 A CB -0.656 18.399 19.000 0.090 0.000 0.819 356 A HN 0.452 nan 8.150 nan 0.000 0.442 357 A N -0.123 122.762 122.820 0.108 0.000 1.902 357 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 357 A C 2.226 179.856 177.584 0.077 0.000 1.181 357 A CA 1.844 53.921 52.037 0.067 0.000 0.623 357 A CB -0.481 18.571 19.000 0.087 0.000 0.818 357 A HN 0.572 nan 8.150 nan 0.000 0.443 358 R N -1.750 118.825 120.500 0.124 0.000 2.081 358 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 358 R C 1.892 178.283 176.300 0.152 0.000 1.131 358 R CA 1.805 57.980 56.100 0.125 0.000 0.960 358 R CB -0.491 29.898 30.300 0.149 0.000 0.856 358 R HN 0.448 nan 8.270 nan 0.000 0.436 359 F N 0.612 120.604 119.950 0.069 0.000 2.134 359 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 359 F C 1.788 177.610 175.800 0.037 0.000 1.097 359 F CA 1.479 59.534 58.000 0.091 0.000 1.264 359 F CB -0.177 38.878 39.000 0.092 0.000 1.001 359 F HN -0.147 nan 8.300 nan 0.000 0.479 360 V N 0.805 120.713 119.914 -0.010 0.000 2.307 360 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 360 V C 2.444 178.450 176.094 -0.146 0.000 1.045 360 V CA 2.091 64.293 62.300 -0.163 0.000 1.024 360 V CB -0.887 30.744 31.823 -0.320 0.000 0.651 360 V HN 0.238 nan 8.190 nan 0.000 0.449 361 R N 0.044 120.488 120.500 -0.094 0.000 2.120 361 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 361 R C 2.425 178.655 176.300 -0.117 0.000 1.123 361 R CA 1.821 57.872 56.100 -0.081 0.000 0.975 361 R CB -0.771 29.515 30.300 -0.023 0.000 0.866 361 R HN 0.519 nan 8.270 nan 0.000 0.446 362 T N 0.541 115.030 114.554 -0.109 0.000 2.674 362 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 362 T C 2.109 176.755 174.700 -0.091 0.000 1.039 362 T CA 1.424 63.452 62.100 -0.120 0.000 1.150 362 T CB -0.262 68.542 68.868 -0.108 0.000 0.864 362 T HN 0.354 nan 8.240 nan 0.000 0.427 363 C N 1.427 120.625 119.300 -0.169 0.000 2.453 363 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 363 C C 2.670 177.649 174.990 -0.019 0.000 1.262 363 C CA 0.581 59.557 59.018 -0.070 0.000 1.718 363 C CB -1.013 26.630 27.740 -0.162 0.000 2.031 363 C HN 0.631 nan 8.230 nan 0.000 0.480 364 D N 1.064 121.417 120.400 -0.078 0.000 2.182 364 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 364 D C 2.151 178.390 176.300 -0.102 0.000 0.986 364 D CA 1.674 55.634 54.000 -0.067 0.000 0.847 364 D CB -0.230 40.522 40.800 -0.080 0.000 0.942 364 D HN 0.404 nan 8.370 nan 0.000 0.467 365 A N -0.622 122.079 122.820 -0.199 0.000 1.940 365 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 365 A C 1.619 178.983 177.584 -0.366 0.000 1.176 365 A CA 1.040 52.854 52.037 -0.372 0.000 0.631 365 A CB -0.788 17.827 19.000 -0.642 0.000 0.814 365 A HN 0.307 nan 8.150 nan 0.000 0.446 366 F N 0.340 120.264 119.950 -0.043 0.000 2.639 366 F HA 0.198 4.725 4.527 -0.000 0.000 0.300 366 F C 0.513 176.294 175.800 -0.032 0.000 1.109 366 F CA -0.300 57.676 58.000 -0.039 0.000 1.335 366 F CB -0.290 38.681 39.000 -0.048 0.000 1.014 366 F HN 0.404 nan 8.300 nan 0.000 0.537 367 N N -0.531 118.224 118.700 0.091 0.000 2.758 367 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 367 N C -0.639 174.911 175.510 0.067 0.000 1.076 367 N CA 0.166 53.250 53.050 0.056 0.000 0.696 367 N CB -1.891 36.625 38.487 0.047 0.000 0.979 367 N HN 0.123 nan 8.380 nan 0.000 0.550 368 V N 1.050 121.012 119.914 0.079 0.000 2.398 368 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 368 V C -1.864 174.280 176.094 0.083 0.000 1.026 368 V CA -1.469 60.885 62.300 0.090 0.000 0.868 368 V CB 1.842 33.738 31.823 0.122 0.000 0.982 368 V HN -0.026 nan 8.190 nan 0.000 0.443 369 P HA 0.190 nan 4.420 nan 0.000 0.271 369 P C -1.044 176.329 177.300 0.122 0.000 1.216 369 P CA 0.010 63.167 63.100 0.094 0.000 0.776 369 P CB 0.636 32.393 31.700 0.096 0.000 0.881 370 V N 4.153 124.138 119.914 0.119 0.000 2.378 370 V HA 0.341 4.461 4.120 -0.000 0.000 0.288 370 V C 0.071 176.274 176.094 0.182 0.000 1.016 370 V CA -0.614 61.778 62.300 0.154 0.000 0.840 370 V CB 1.071 32.974 31.823 0.133 0.000 0.994 370 V HN 0.325 nan 8.190 nan 0.000 0.431 371 L N 4.427 125.789 121.223 0.231 0.000 2.257 371 L HA 0.554 4.894 4.340 -0.000 0.000 0.290 371 L C 0.515 177.618 176.870 0.388 0.000 1.044 371 L CA 0.027 55.049 54.840 0.303 0.000 0.810 371 L CB 1.594 43.935 42.059 0.470 0.000 1.193 371 L HN 0.795 nan 8.230 nan 0.000 0.425 372 T N 2.754 117.461 114.554 0.254 0.000 2.771 372 T HA 0.610 4.960 4.350 -0.000 0.000 0.281 372 T C -0.706 174.077 174.700 0.137 0.000 0.982 372 T CA -0.322 61.936 62.100 0.263 0.000 0.978 372 T CB 0.339 69.328 68.868 0.202 0.000 0.930 372 T HN 0.149 nan 8.240 nan 0.000 0.447 373 F N 3.588 123.465 119.950 -0.122 0.000 2.495 373 F HA 0.669 5.196 4.527 -0.000 0.000 0.327 373 F C -0.130 175.534 175.800 -0.226 0.000 1.103 373 F CA -1.266 56.606 58.000 -0.214 0.000 0.949 373 F CB 2.077 40.929 39.000 -0.246 0.000 1.142 373 F HN 0.309 nan 8.300 nan 0.000 0.457 374 V N 2.150 121.976 119.914 -0.146 0.000 2.487 374 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 374 V C -1.147 174.820 176.094 -0.211 0.000 1.028 374 V CA -0.544 61.652 62.300 -0.173 0.000 0.860 374 V CB 1.834 33.545 31.823 -0.188 0.000 0.991 374 V HN 0.727 nan 8.190 nan 0.000 0.427 375 D N 3.648 123.932 120.400 -0.193 0.000 2.978 375 D HA 0.180 4.820 4.640 -0.000 0.000 0.268 375 D C -1.216 174.961 176.300 -0.205 0.000 1.252 375 D CA -0.070 53.806 54.000 -0.206 0.000 0.771 375 D CB 1.423 42.112 40.800 -0.185 0.000 1.361 375 D HN 0.348 nan 8.370 nan 0.000 0.558 376 V N 3.462 123.232 119.914 -0.241 0.000 2.370 376 V HA 0.548 4.668 4.120 -0.000 0.000 0.283 376 V C -1.594 174.321 176.094 -0.299 0.000 1.023 376 V CA -1.970 60.181 62.300 -0.247 0.000 0.857 376 V CB 1.957 33.615 31.823 -0.275 0.000 0.985 376 V HN 0.183 nan 8.190 nan 0.000 0.443 377 P HA 0.134 nan 4.420 nan 0.000 0.214 377 P C 0.709 178.012 177.300 0.004 0.000 1.162 377 P CA 2.114 65.162 63.100 -0.087 0.000 0.874 377 P CB 0.553 32.270 31.700 0.028 0.000 0.784 378 G N -2.226 106.495 108.800 -0.132 0.000 3.450 378 G HA2 0.453 4.413 3.960 -0.000 0.000 0.147 378 G HA3 0.453 4.413 3.960 -0.000 0.000 0.147 378 G C -0.998 173.517 174.900 -0.642 0.000 1.269 378 G CA -0.234 44.766 45.100 -0.166 0.000 1.388 378 G HN 0.166 nan 8.290 nan 0.000 0.731 379 F N -0.921 119.056 119.950 0.045 0.000 2.741 379 F HA 0.617 5.144 4.527 -0.000 0.000 0.313 379 F C -1.014 174.782 175.800 -0.007 0.000 1.153 379 F CA -0.774 57.233 58.000 0.012 0.000 0.931 379 F CB 1.866 40.873 39.000 0.011 0.000 1.335 379 F HN 0.373 nan 8.300 nan 0.000 0.460 380 L N 3.891 125.201 121.223 0.145 0.000 2.290 380 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 380 L C -2.576 174.316 176.870 0.037 0.000 1.078 380 L CA -1.558 53.298 54.840 0.028 0.000 0.815 380 L CB 0.288 42.277 42.059 -0.116 0.000 1.162 380 L HN 0.198 nan 8.230 nan 0.000 0.435 381 P HA 0.541 nan 4.420 nan 0.000 0.275 381 P C -0.668 176.626 177.300 -0.010 0.000 1.227 381 P CA -0.289 62.825 63.100 0.023 0.000 0.781 381 P CB 1.189 32.908 31.700 0.031 0.000 0.906 382 G N 0.037 108.823 108.800 -0.024 0.000 2.632 382 G HA2 0.349 4.309 3.960 -0.000 0.000 0.292 382 G HA3 0.349 4.309 3.960 -0.000 0.000 0.292 382 G C -0.580 174.274 174.900 -0.075 0.000 1.465 382 G CA -0.554 44.517 45.100 -0.047 0.000 0.824 382 G HN 0.220 nan 8.290 nan 0.000 0.509 383 V N 1.077 120.926 119.914 -0.108 0.000 3.342 383 V HA 0.172 4.292 4.120 -0.000 0.000 0.322 383 V C 0.864 176.803 176.094 -0.258 0.000 1.370 383 V CA 1.000 63.173 62.300 -0.212 0.000 1.170 383 V CB -0.214 31.488 31.823 -0.203 0.000 1.101 383 V HN 0.820 nan 8.190 nan 0.000 0.442 384 D N -1.609 118.714 120.400 -0.129 0.000 2.626 384 D HA -0.048 4.592 4.640 -0.000 0.000 0.274 384 D C 1.686 177.985 176.300 -0.002 0.000 1.045 384 D CA 0.043 54.011 54.000 -0.053 0.000 0.925 384 D CB 0.043 40.822 40.800 -0.034 0.000 1.260 384 D HN 0.251 nan 8.370 nan 0.000 0.490 385 Q N 0.732 120.517 119.800 -0.025 0.000 2.050 385 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 385 Q C 1.964 177.973 176.000 0.015 0.000 0.980 385 Q CA 1.040 56.836 55.803 -0.013 0.000 0.840 385 Q CB -0.104 28.614 28.738 -0.033 0.000 0.898 385 Q HN 0.282 nan 8.270 nan 0.000 0.424 386 E N 0.327 120.541 120.200 0.023 0.000 2.051 386 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 386 E C 1.977 178.664 176.600 0.146 0.000 0.991 386 E CA 1.161 57.599 56.400 0.064 0.000 0.799 386 E CB -0.136 29.608 29.700 0.072 0.000 0.748 386 E HN 0.402 nan 8.360 nan 0.000 0.449 387 H N 0.801 119.860 119.070 -0.019 0.000 2.326 387 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 387 H C 1.725 177.045 175.328 -0.013 0.000 1.081 387 H CA 1.474 57.513 56.048 -0.014 0.000 1.334 387 H CB -0.217 29.539 29.762 -0.010 0.000 1.385 387 H HN 0.150 nan 8.280 nan 0.000 0.504 388 D N -0.790 119.681 120.400 0.119 0.000 2.117 388 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 388 D C 1.020 177.337 176.300 0.028 0.000 0.987 388 D CA 1.703 55.737 54.000 0.057 0.000 0.829 388 D CB -0.013 40.814 40.800 0.044 0.000 0.961 388 D HN 0.560 nan 8.370 nan 0.000 0.460 389 G N 0.572 109.387 108.800 0.024 0.000 2.414 389 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.191 389 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.191 389 G C 0.704 175.598 174.900 -0.009 0.000 1.082 389 G CA 0.097 45.199 45.100 0.002 0.000 0.785 389 G HN 0.325 nan 8.290 nan 0.000 0.484 390 I N -0.163 120.399 120.570 -0.014 0.000 2.423 390 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 390 I C 2.409 178.498 176.117 -0.047 0.000 1.151 390 I CA 1.639 62.922 61.300 -0.029 0.000 1.421 390 I CB 0.014 37.986 38.000 -0.046 0.000 1.079 390 I HN 0.418 nan 8.210 nan 0.000 0.431 391 I N 1.575 122.114 120.570 -0.052 0.000 2.179 391 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 391 I C 2.710 178.798 176.117 -0.048 0.000 1.088 391 I CA 1.787 63.049 61.300 -0.063 0.000 1.357 391 I CB -0.839 37.128 38.000 -0.055 0.000 1.051 391 I HN 0.270 nan 8.210 nan 0.000 0.409 392 R N 1.422 121.899 120.500 -0.038 0.000 2.066 392 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 392 R C 2.302 178.584 176.300 -0.029 0.000 1.131 392 R CA 1.228 57.305 56.100 -0.039 0.000 0.955 392 R CB -0.831 29.447 30.300 -0.037 0.000 0.851 392 R HN 0.313 nan 8.270 nan 0.000 0.432 393 R N 0.835 121.326 120.500 -0.015 0.000 2.075 393 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 393 R C 2.616 178.928 176.300 0.019 0.000 1.126 393 R CA 1.297 57.400 56.100 0.005 0.000 0.963 393 R CB -0.614 29.695 30.300 0.014 0.000 0.858 393 R HN 0.466 nan 8.270 nan 0.000 0.435 394 G N 1.251 110.054 108.800 0.005 0.000 2.422 394 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 394 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 394 G C 1.603 176.536 174.900 0.054 0.000 1.146 394 G CA 0.726 45.842 45.100 0.026 0.000 0.769 394 G HN 0.401 nan 8.290 nan 0.000 0.547 395 A N 0.603 123.440 122.820 0.029 0.000 2.019 395 A HA -0.006 4.313 4.320 -0.000 0.000 0.219 395 A C 2.248 179.898 177.584 0.110 0.000 1.164 395 A CA 2.115 54.187 52.037 0.058 0.000 0.644 395 A CB -0.332 18.681 19.000 0.021 0.000 0.805 395 A HN 0.344 nan 8.150 nan 0.000 0.449 396 K N -0.903 119.547 120.400 0.083 0.000 2.152 396 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 396 K C 1.735 178.433 176.600 0.163 0.000 1.048 396 K CA 1.131 57.479 56.287 0.103 0.000 0.933 396 K CB -0.323 32.215 32.500 0.064 0.000 0.721 396 K HN 0.399 nan 8.250 nan 0.000 0.447 397 L N 0.878 122.190 121.223 0.148 0.000 2.046 397 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 397 L C 1.688 178.715 176.870 0.262 0.000 1.077 397 L CA 1.580 56.523 54.840 0.173 0.000 0.747 397 L CB -0.264 41.914 42.059 0.199 0.000 0.896 397 L HN 0.202 nan 8.230 nan 0.000 0.432 398 I N -1.698 119.015 120.570 0.238 0.000 2.179 398 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 398 I C 2.328 178.576 176.117 0.218 0.000 1.088 398 I CA 1.558 62.992 61.300 0.222 0.000 1.357 398 I CB -0.399 37.693 38.000 0.152 0.000 1.051 398 I HN 0.248 nan 8.210 nan 0.000 0.409 399 F N 1.595 121.588 119.950 0.071 0.000 2.134 399 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 399 F C 2.464 178.286 175.800 0.036 0.000 1.097 399 F CA 1.387 59.412 58.000 0.041 0.000 1.264 399 F CB -0.262 38.751 39.000 0.021 0.000 1.001 399 F HN -0.005 nan 8.300 nan 0.000 0.479 400 A N -0.595 122.316 122.820 0.152 0.000 1.877 400 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 400 A C 2.030 179.563 177.584 -0.085 0.000 1.186 400 A CA 1.713 53.748 52.037 -0.002 0.000 0.620 400 A CB -1.483 17.498 19.000 -0.031 0.000 0.822 400 A HN 0.488 nan 8.150 nan 0.000 0.443 401 Y N -0.117 120.170 120.300 -0.023 0.000 2.145 401 Y HA -0.092 4.458 4.550 -0.000 0.000 0.286 401 Y C 2.978 178.823 175.900 -0.092 0.000 1.145 401 Y CA 0.835 58.911 58.100 -0.041 0.000 1.148 401 Y CB -0.781 37.667 38.460 -0.020 0.000 0.981 401 Y HN 0.323 nan 8.280 nan 0.000 0.507 402 A N -0.251 122.598 122.820 0.048 0.000 1.902 402 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 402 A C 2.231 179.732 177.584 -0.139 0.000 1.181 402 A CA 1.855 53.857 52.037 -0.058 0.000 0.623 402 A CB -0.763 18.177 19.000 -0.099 0.000 0.818 402 A HN 0.561 nan 8.150 nan 0.000 0.443 403 E N 0.307 120.351 120.200 -0.259 0.000 2.072 403 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 403 E C 1.029 177.537 176.600 -0.154 0.000 0.985 403 E CA 0.557 56.783 56.400 -0.291 0.000 0.801 403 E CB -0.255 29.165 29.700 -0.468 0.000 0.750 403 E HN 0.519 nan 8.360 nan 0.000 0.452 404 A N 0.946 123.703 122.820 -0.105 0.000 2.524 404 A HA 0.071 4.391 4.320 -0.000 0.000 0.250 404 A C 1.174 178.732 177.584 -0.044 0.000 1.078 404 A CA 0.449 52.443 52.037 -0.071 0.000 0.761 404 A CB 0.391 19.357 19.000 -0.057 0.000 1.012 404 A HN 0.437 nan 8.150 nan 0.000 0.500 405 T N 1.072 115.599 114.554 -0.045 0.000 2.812 405 T HA 0.010 4.360 4.350 -0.000 0.000 0.264 405 T C 1.055 175.748 174.700 -0.011 0.000 1.042 405 T CA 0.923 63.005 62.100 -0.030 0.000 1.140 405 T CB -1.404 67.446 68.868 -0.030 0.000 0.870 405 T HN 1.296 nan 8.240 nan 0.000 0.445 406 V N 0.466 120.376 119.914 -0.007 0.000 2.843 406 V HA 0.347 4.467 4.120 -0.000 0.000 0.305 406 V C -2.796 173.313 176.094 0.025 0.000 1.065 406 V CA -2.436 59.870 62.300 0.010 0.000 1.116 406 V CB -0.120 31.712 31.823 0.014 0.000 0.968 406 V HN 0.028 nan 8.190 nan 0.000 0.487 407 P HA 0.281 nan 4.420 nan 0.000 0.264 407 P C -0.966 176.363 177.300 0.049 0.000 1.193 407 P CA 0.091 63.211 63.100 0.034 0.000 0.763 407 P CB 0.329 32.052 31.700 0.038 0.000 0.810 408 L N 5.143 126.392 121.223 0.043 0.000 2.341 408 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 408 L C 0.106 176.987 176.870 0.019 0.000 1.005 408 L CA -0.293 54.583 54.840 0.060 0.000 0.818 408 L CB 0.990 43.101 42.059 0.088 0.000 1.259 408 L HN 0.308 nan 8.230 nan 0.000 0.418 409 I N 2.091 122.670 120.570 0.016 0.000 2.406 409 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 409 I C -0.272 175.768 176.117 -0.128 0.000 0.999 409 I CA -0.270 60.999 61.300 -0.052 0.000 1.124 409 I CB 2.034 40.013 38.000 -0.035 0.000 1.289 409 I HN 0.497 nan 8.210 nan 0.000 0.441 410 T N 5.635 120.073 114.554 -0.193 0.000 2.779 410 T HA 0.507 4.857 4.350 -0.000 0.000 0.280 410 T C -0.236 174.238 174.700 -0.377 0.000 0.987 410 T CA -0.534 61.403 62.100 -0.271 0.000 0.966 410 T CB 1.655 70.377 68.868 -0.245 0.000 0.933 410 T HN 0.205 nan 8.240 nan 0.000 0.442 411 V N 4.336 123.896 119.914 -0.590 0.000 2.417 411 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 411 V C 0.320 176.066 176.094 -0.580 0.000 1.024 411 V CA -1.080 60.836 62.300 -0.640 0.000 0.861 411 V CB 1.104 32.381 31.823 -0.911 0.000 0.985 411 V HN 0.807 nan 8.190 nan 0.000 0.436 412 I N 4.425 124.710 120.570 -0.476 0.000 2.752 412 I HA 0.144 4.314 4.170 -0.000 0.000 0.287 412 I C 1.559 177.225 176.117 -0.751 0.000 1.188 412 I CA 0.978 62.010 61.300 -0.448 0.000 1.427 412 I CB 1.413 39.244 38.000 -0.282 0.000 1.365 412 I HN 0.987 nan 8.210 nan 0.000 0.585 413 T N 2.473 116.682 114.554 -0.576 0.000 3.238 413 T HA 0.185 4.535 4.350 -0.000 0.000 0.242 413 T C 1.584 176.215 174.700 -0.115 0.000 0.980 413 T CA -0.106 61.642 62.100 -0.587 0.000 1.235 413 T CB 0.084 68.671 68.868 -0.467 0.000 1.069 413 T HN 0.567 nan 8.240 nan 0.000 0.407 414 R N 0.701 121.146 120.500 -0.093 0.000 2.191 414 R HA 0.443 4.783 4.340 -0.000 0.000 0.187 414 R C -0.275 175.956 176.300 -0.116 0.000 1.078 414 R CA 0.130 56.224 56.100 -0.010 0.000 1.139 414 R CB 0.771 31.122 30.300 0.085 0.000 1.120 414 R HN 0.205 nan 8.270 nan 0.000 0.536 415 K N -0.961 119.290 120.400 -0.247 0.000 2.509 415 K HA 0.639 4.959 4.320 -0.000 0.000 0.266 415 K C -1.752 174.489 176.600 -0.597 0.000 0.987 415 K CA -0.611 55.359 56.287 -0.529 0.000 0.868 415 K CB 2.415 34.590 32.500 -0.543 0.000 1.421 415 K HN 0.169 nan 8.250 nan 0.000 0.444 416 A N 1.962 124.204 122.820 -0.963 0.000 2.503 416 A HA 0.391 4.711 4.320 -0.000 0.000 0.275 416 A C -1.809 175.625 177.584 -0.250 0.000 1.339 416 A CA -0.680 51.081 52.037 -0.459 0.000 0.984 416 A CB -0.152 18.748 19.000 -0.167 0.000 1.382 416 A HN 0.394 nan 8.150 nan 0.000 0.609 417 F N 0.921 120.870 119.950 -0.003 0.000 2.458 417 F HA 0.763 5.290 4.527 -0.000 0.000 0.336 417 F C 1.097 176.949 175.800 0.087 0.000 1.114 417 F CA -0.065 57.950 58.000 0.025 0.000 0.987 417 F CB 1.532 40.541 39.000 0.015 0.000 1.130 417 F HN 1.283 nan 8.300 nan 0.000 0.458 418 G N 1.986 110.996 108.800 0.351 0.000 2.553 418 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.242 418 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.242 418 G C 1.087 176.219 174.900 0.386 0.000 1.277 418 G CA -0.118 45.177 45.100 0.325 0.000 0.910 418 G HN 1.191 nan 8.290 nan 0.000 0.576 419 G N -0.158 108.925 108.800 0.471 0.000 2.450 419 G HA2 0.225 4.185 3.960 -0.000 0.000 0.220 419 G HA3 0.225 4.185 3.960 -0.000 0.000 0.220 419 G C 2.132 177.365 174.900 0.555 0.000 1.130 419 G CA 2.889 48.249 45.100 0.433 0.000 0.760 419 G HN 1.979 nan 8.290 nan 0.000 0.557 420 A N 0.195 123.339 122.820 0.540 0.000 1.978 420 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 420 A C 2.129 179.741 177.584 0.046 0.000 1.170 420 A CA 1.753 53.759 52.037 -0.052 0.000 0.636 420 A CB -0.602 17.807 19.000 -0.984 0.000 0.810 420 A HN 0.574 nan 8.150 nan 0.000 0.448 421 Y N 0.791 121.101 120.300 0.017 0.000 2.114 421 Y HA -0.108 4.442 4.550 -0.000 0.000 0.284 421 Y C 2.515 178.426 175.900 0.017 0.000 1.143 421 Y CA 1.286 59.385 58.100 -0.002 0.000 1.135 421 Y CB -0.946 37.556 38.460 0.071 0.000 0.980 421 Y HN 0.267 nan 8.280 nan 0.000 0.499 422 A N -0.058 122.564 122.820 -0.330 0.000 1.933 422 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 422 A C 2.359 179.797 177.584 -0.244 0.000 1.175 422 A CA 2.023 53.811 52.037 -0.415 0.000 0.628 422 A CB -1.324 17.565 19.000 -0.184 0.000 0.814 422 A HN 0.376 nan 8.150 nan 0.000 0.444 423 V N 0.089 119.959 119.914 -0.073 0.000 2.407 423 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 423 V C 1.291 177.323 176.094 -0.104 0.000 1.055 423 V CA 1.095 63.403 62.300 0.013 0.000 1.049 423 V CB -0.662 31.273 31.823 0.187 0.000 0.662 423 V HN 0.495 nan 8.190 nan 0.000 0.455 424 M N 0.935 120.424 119.600 -0.186 0.000 3.436 424 M HA 0.292 4.772 4.480 -0.000 0.000 0.240 424 M C 1.314 177.243 176.300 -0.618 0.000 1.469 424 M CA 0.398 55.521 55.300 -0.295 0.000 1.622 424 M CB -0.998 31.512 32.600 -0.151 0.000 1.098 424 M HN 0.450 nan 8.290 nan 0.000 0.568 425 G N 1.924 109.970 108.800 -1.256 0.000 2.283 425 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.280 425 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.280 425 G C 0.407 174.987 174.900 -0.535 0.000 1.029 425 G CA 0.666 45.105 45.100 -1.101 0.000 0.840 425 G HN 0.765 nan 8.290 nan 0.000 0.505 426 S N -1.227 114.179 115.700 -0.490 0.000 2.576 426 S HA 0.459 4.929 4.470 -0.000 0.000 0.276 426 S C 1.473 175.810 174.600 -0.437 0.000 1.339 426 S CA 0.521 58.443 58.200 -0.463 0.000 1.039 426 S CB 1.677 64.499 63.200 -0.630 0.000 0.902 426 S HN 0.488 nan 8.310 nan 0.000 0.516 427 K N 1.276 121.363 120.400 -0.522 0.000 2.152 427 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 427 K C 1.743 178.133 176.600 -0.350 0.000 1.048 427 K CA 1.838 57.887 56.287 -0.396 0.000 0.933 427 K CB -0.571 31.695 32.500 -0.390 0.000 0.721 427 K HN 0.822 nan 8.250 nan 0.000 0.447 428 H N -0.211 118.704 119.070 -0.259 0.000 2.387 428 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 428 H C 1.710 176.936 175.328 -0.169 0.000 1.099 428 H CA 1.342 57.255 56.048 -0.224 0.000 1.315 428 H CB -0.184 29.422 29.762 -0.261 0.000 1.380 428 H HN 0.111 nan 8.280 nan 0.000 0.513 429 L N 0.091 121.259 121.223 -0.092 0.000 2.191 429 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 429 L C 1.765 178.595 176.870 -0.067 0.000 1.103 429 L CA 1.874 56.666 54.840 -0.080 0.000 0.769 429 L CB -0.743 41.229 42.059 -0.144 0.000 0.908 429 L HN 0.619 nan 8.230 nan 0.000 0.438 430 G N -2.937 105.809 108.800 -0.090 0.000 2.205 430 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.180 430 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.180 430 G C 0.497 175.357 174.900 -0.067 0.000 1.004 430 G CA 0.066 45.124 45.100 -0.069 0.000 0.670 430 G HN 0.685 nan 8.290 nan 0.000 0.496 431 A N 0.183 122.946 122.820 -0.097 0.000 2.386 431 A HA 0.592 4.912 4.320 -0.000 0.000 0.248 431 A C 1.073 178.607 177.584 -0.083 0.000 1.082 431 A CA 0.826 52.813 52.037 -0.083 0.000 0.789 431 A CB 0.393 19.316 19.000 -0.127 0.000 1.025 431 A HN 0.170 nan 8.150 nan 0.000 0.490 432 D N -0.244 120.124 120.400 -0.054 0.000 2.369 432 D HA 0.120 4.760 4.640 -0.000 0.000 0.231 432 D C -0.458 175.819 176.300 -0.039 0.000 0.967 432 D CA 0.975 54.953 54.000 -0.037 0.000 0.905 432 D CB 0.112 40.904 40.800 -0.013 0.000 1.044 432 D HN 0.242 nan 8.370 nan 0.000 0.487 433 L N 1.584 122.780 121.223 -0.045 0.000 2.376 433 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 433 L C -0.983 175.828 176.870 -0.098 0.000 0.987 433 L CA -0.642 54.168 54.840 -0.050 0.000 0.828 433 L CB 1.599 43.649 42.059 -0.015 0.000 1.249 433 L HN -0.223 nan 8.230 nan 0.000 0.409 434 N N 4.548 123.180 118.700 -0.113 0.000 2.407 434 N HA 0.756 5.496 4.740 -0.000 0.000 0.277 434 N C -1.387 174.030 175.510 -0.156 0.000 0.995 434 N CA -0.612 52.348 53.050 -0.151 0.000 0.903 434 N CB 1.812 40.212 38.487 -0.145 0.000 1.218 434 N HN 0.251 nan 8.380 nan 0.000 0.487 435 L N 0.320 121.420 121.223 -0.204 0.000 2.385 435 L HA 0.925 5.265 4.340 -0.000 0.000 0.273 435 L C -0.533 176.228 176.870 -0.182 0.000 0.990 435 L CA -1.232 53.482 54.840 -0.210 0.000 0.821 435 L CB 0.707 42.581 42.059 -0.309 0.000 1.279 435 L HN 0.491 nan 8.230 nan 0.000 0.412 436 A N 2.310 125.061 122.820 -0.114 0.000 2.330 436 A HA 0.766 5.086 4.320 -0.000 0.000 0.313 436 A C -1.131 176.498 177.584 0.075 0.000 1.124 436 A CA -0.444 51.526 52.037 -0.112 0.000 0.774 436 A CB 0.950 19.862 19.000 -0.147 0.000 1.198 436 A HN 0.599 nan 8.150 nan 0.000 0.465 437 W N 2.342 123.558 121.300 -0.140 0.000 2.129 437 W HA 0.407 5.067 4.660 -0.000 0.000 0.349 437 W C -1.919 174.544 176.519 -0.093 0.000 1.279 437 W CA -1.783 55.502 57.345 -0.100 0.000 1.306 437 W CB -0.372 29.054 29.460 -0.058 0.000 1.140 437 W HN 0.487 nan 8.180 nan 0.000 0.613 438 P HA -0.116 nan 4.420 nan 0.000 0.216 438 P C 0.860 178.231 177.300 0.118 0.000 1.153 438 P CA 2.187 65.355 63.100 0.113 0.000 0.848 438 P CB -0.124 31.633 31.700 0.094 0.000 0.787 439 T N -2.253 112.383 114.554 0.137 0.000 4.098 439 T HA 0.584 4.934 4.350 -0.000 0.000 0.291 439 T C 0.051 174.814 174.700 0.104 0.000 1.440 439 T CA -0.702 61.468 62.100 0.116 0.000 1.164 439 T CB -1.157 67.775 68.868 0.106 0.000 1.313 439 T HN 0.020 nan 8.240 nan 0.000 0.951 440 A N 3.344 126.202 122.820 0.064 0.000 2.319 440 A HA 0.612 4.932 4.320 -0.000 0.000 0.310 440 A C -0.088 177.503 177.584 0.012 0.000 1.152 440 A CA -0.964 51.071 52.037 -0.003 0.000 0.783 440 A CB 1.082 20.049 19.000 -0.055 0.000 1.184 440 A HN 0.558 nan 8.150 nan 0.000 0.474 441 Q N 2.638 122.431 119.800 -0.011 0.000 2.361 441 Q HA 0.322 4.662 4.340 -0.000 0.000 0.250 441 Q C -0.644 175.395 176.000 0.066 0.000 1.023 441 Q CA 0.377 56.293 55.803 0.190 0.000 0.915 441 Q CB 0.819 29.872 28.738 0.525 0.000 1.238 441 Q HN 0.668 nan 8.270 nan 0.000 0.451 442 I N 1.705 122.354 120.570 0.131 0.000 2.315 442 I HA 0.593 4.763 4.170 -0.000 0.000 0.291 442 I C -0.003 176.253 176.117 0.231 0.000 1.006 442 I CA -0.613 60.715 61.300 0.047 0.000 1.265 442 I CB 1.266 39.179 38.000 -0.144 0.000 1.387 442 I HN 0.486 nan 8.210 nan 0.000 0.475 443 A N 4.790 127.852 122.820 0.403 0.000 2.556 443 A HA 0.556 4.876 4.320 -0.000 0.000 0.294 443 A C 0.549 178.228 177.584 0.158 0.000 1.091 443 A CA -0.476 51.673 52.037 0.186 0.000 0.704 443 A CB 1.498 20.309 19.000 -0.314 0.000 1.300 443 A HN 0.625 nan 8.150 nan 0.000 0.406 444 V N -0.627 119.348 119.914 0.101 0.000 2.343 444 V HA 0.148 4.268 4.120 -0.000 0.000 0.247 444 V C 0.722 176.863 176.094 0.079 0.000 1.051 444 V CA 2.288 64.654 62.300 0.110 0.000 1.036 444 V CB -0.944 30.936 31.823 0.094 0.000 0.654 444 V HN 1.321 nan 8.190 nan 0.000 0.451 445 M N -0.380 119.189 119.600 -0.052 0.000 2.603 445 M HA 0.730 5.210 4.480 -0.000 0.000 0.275 445 M C -0.224 175.843 176.300 -0.387 0.000 1.226 445 M CA -0.120 55.097 55.300 -0.137 0.000 0.870 445 M CB 1.687 34.221 32.600 -0.109 0.000 1.716 445 M HN 0.179 nan 8.290 nan 0.000 0.482 446 G N 0.917 109.525 108.800 -0.320 0.000 2.406 446 G HA2 0.484 4.444 3.960 -0.000 0.000 0.251 446 G HA3 0.484 4.444 3.960 -0.000 0.000 0.251 446 G C 0.613 175.352 174.900 -0.268 0.000 1.271 446 G CA -0.037 44.865 45.100 -0.330 0.000 0.859 446 G HN 1.069 nan 8.290 nan 0.000 0.540 447 A N 1.539 124.219 122.820 -0.233 0.000 1.898 447 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 447 A C 2.173 179.628 177.584 -0.214 0.000 1.181 447 A CA 1.832 53.725 52.037 -0.239 0.000 0.620 447 A CB -0.505 18.486 19.000 -0.015 0.000 0.819 447 A HN 0.702 nan 8.150 nan 0.000 0.442 448 Q N -0.297 119.433 119.800 -0.116 0.000 2.124 448 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 448 Q C 2.008 177.946 176.000 -0.102 0.000 0.977 448 Q CA 1.762 57.515 55.803 -0.084 0.000 0.850 448 Q CB -0.494 28.217 28.738 -0.044 0.000 0.901 448 Q HN 0.572 nan 8.270 nan 0.000 0.429 449 G N 0.444 109.173 108.800 -0.118 0.000 2.421 449 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 449 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 449 G C 1.484 176.301 174.900 -0.138 0.000 1.171 449 G CA 0.979 46.014 45.100 -0.108 0.000 0.775 449 G HN 0.497 nan 8.290 nan 0.000 0.543 450 A N -0.019 122.660 122.820 -0.235 0.000 1.930 450 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 450 A C 2.560 179.991 177.584 -0.255 0.000 1.175 450 A CA 1.616 53.474 52.037 -0.298 0.000 0.627 450 A CB -0.639 18.053 19.000 -0.513 0.000 0.815 450 A HN 0.250 nan 8.150 nan 0.000 0.443 451 V N 0.595 120.359 119.914 -0.250 0.000 2.469 451 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 451 V C 2.222 178.331 176.094 0.026 0.000 1.064 451 V CA 2.319 64.585 62.300 -0.056 0.000 1.066 451 V CB -1.038 30.752 31.823 -0.056 0.000 0.667 451 V HN 0.681 nan 8.190 nan 0.000 0.461 452 N N -0.288 118.390 118.700 -0.037 0.000 2.043 452 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 452 N C 1.744 177.256 175.510 0.002 0.000 1.037 452 N CA 1.716 54.759 53.050 -0.012 0.000 0.851 452 N CB -0.182 38.286 38.487 -0.031 0.000 1.027 452 N HN 0.408 nan 8.380 nan 0.000 0.422 453 I N 0.491 121.041 120.570 -0.033 0.000 2.252 453 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 453 I C 1.887 177.969 176.117 -0.058 0.000 1.102 453 I CA 0.772 62.047 61.300 -0.041 0.000 1.385 453 I CB -0.173 37.793 38.000 -0.056 0.000 1.064 453 I HN 0.131 nan 8.210 nan 0.000 0.414 454 L N -0.095 121.071 121.223 -0.096 0.000 2.012 454 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 454 L C 1.879 178.582 176.870 -0.277 0.000 1.073 454 L CA 1.408 56.113 54.840 -0.225 0.000 0.748 454 L CB -0.552 41.303 42.059 -0.341 0.000 0.891 454 L HN 0.369 nan 8.230 nan 0.000 0.431 455 H N -1.250 117.805 119.070 -0.026 0.000 2.507 455 H HA 0.120 4.676 4.556 -0.000 0.000 0.294 455 H C 1.595 176.913 175.328 -0.016 0.000 1.064 455 H CA -0.142 55.896 56.048 -0.016 0.000 1.138 455 H CB 0.183 29.937 29.762 -0.014 0.000 1.515 455 H HN 0.292 nan 8.280 nan 0.000 0.547 456 R N 1.646 122.176 120.500 0.050 0.000 2.140 456 R HA -0.144 4.196 4.340 -0.000 0.000 0.250 456 R C 1.239 177.559 176.300 0.033 0.000 1.150 456 R CA 1.502 57.620 56.100 0.030 0.000 0.966 456 R CB 0.144 30.446 30.300 0.004 0.000 0.869 456 R HN 0.216 nan 8.270 nan 0.000 0.445 457 R N -0.999 119.519 120.500 0.031 0.000 2.393 457 R HA 0.112 4.452 4.340 -0.000 0.000 0.244 457 R C 1.032 177.360 176.300 0.048 0.000 0.920 457 R CA 0.313 56.431 56.100 0.029 0.000 1.076 457 R CB 0.730 31.039 30.300 0.015 0.000 1.119 457 R HN 0.217 nan 8.270 nan 0.000 0.524 458 T N 0.683 115.291 114.554 0.091 0.000 3.009 458 T HA 0.106 4.456 4.350 -0.000 0.000 0.258 458 T C 1.429 176.169 174.700 0.066 0.000 1.063 458 T CA 0.476 62.648 62.100 0.120 0.000 1.139 458 T CB 0.336 69.389 68.868 0.309 0.000 0.890 458 T HN 0.111 nan 8.240 nan 0.000 0.471 459 I N 1.063 121.664 120.570 0.053 0.000 4.082 459 I HA 0.369 4.539 4.170 -0.000 0.000 0.337 459 I C 2.070 178.191 176.117 0.007 0.000 1.352 459 I CA 0.061 61.366 61.300 0.009 0.000 1.097 459 I CB -0.367 37.624 38.000 -0.014 0.000 1.048 459 I HN 0.103 nan 8.210 nan 0.000 0.393 460 A N 0.384 123.213 122.820 0.015 0.000 1.933 460 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 460 A C 0.800 178.386 177.584 0.004 0.000 1.175 460 A CA 1.015 53.057 52.037 0.008 0.000 0.628 460 A CB -0.377 18.629 19.000 0.010 0.000 0.814 460 A HN 0.387 nan 8.150 nan 0.000 0.444 461 D N -1.163 119.240 120.400 0.006 0.000 2.362 461 D HA 0.424 5.064 4.640 -0.000 0.000 0.242 461 D C 0.715 177.014 176.300 -0.001 0.000 1.132 461 D CA 1.163 55.165 54.000 0.004 0.000 0.907 461 D CB 0.544 41.348 40.800 0.007 0.000 1.195 461 D HN 0.789 nan 8.370 nan 0.000 0.429 462 A N 1.046 123.865 122.820 -0.002 0.000 2.800 462 A HA -0.122 4.198 4.320 -0.000 0.000 0.292 462 A C 1.686 179.267 177.584 -0.006 0.000 1.474 462 A CA 1.070 53.105 52.037 -0.005 0.000 0.744 462 A CB -1.976 17.020 19.000 -0.007 0.000 1.044 462 A HN 0.707 nan 8.150 nan 0.000 0.489 463 G N -0.473 108.325 108.800 -0.004 0.000 2.422 463 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.218 463 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.218 463 G C 0.550 175.447 174.900 -0.005 0.000 1.146 463 G CA 0.941 46.039 45.100 -0.004 0.000 0.769 463 G HN 0.784 nan 8.290 nan 0.000 0.547 464 D N 0.980 121.378 120.400 -0.004 0.000 2.450 464 D HA 0.164 4.804 4.640 -0.000 0.000 0.247 464 D C 0.213 176.509 176.300 -0.006 0.000 1.162 464 D CA 0.106 54.103 54.000 -0.005 0.000 0.879 464 D CB 0.363 41.160 40.800 -0.004 0.000 1.163 464 D HN 0.099 nan 8.370 nan 0.000 0.472 465 D N 2.022 122.418 120.400 -0.007 0.000 2.911 465 D HA -0.225 4.415 4.640 -0.000 0.000 0.227 465 D C 1.046 177.339 176.300 -0.012 0.000 1.164 465 D CA 0.957 54.952 54.000 -0.009 0.000 0.782 465 D CB -1.152 39.643 40.800 -0.008 0.000 1.094 465 D HN 0.452 nan 8.370 nan 0.000 0.425 466 A N -0.064 122.750 122.820 -0.011 0.000 1.898 466 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 466 A C 2.061 179.633 177.584 -0.019 0.000 1.181 466 A CA 1.785 53.813 52.037 -0.015 0.000 0.620 466 A CB -0.129 18.864 19.000 -0.012 0.000 0.819 466 A HN 0.274 nan 8.150 nan 0.000 0.442 467 E N 0.386 120.577 120.200 -0.016 0.000 2.110 467 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 467 E C 2.142 178.730 176.600 -0.021 0.000 0.988 467 E CA 1.250 57.639 56.400 -0.017 0.000 0.804 467 E CB -0.547 29.145 29.700 -0.012 0.000 0.745 467 E HN 0.579 nan 8.360 nan 0.000 0.458 468 A N 0.422 123.231 122.820 -0.019 0.000 1.908 468 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 468 A C 2.343 179.911 177.584 -0.027 0.000 1.181 468 A CA 2.094 54.120 52.037 -0.019 0.000 0.627 468 A CB -1.042 17.949 19.000 -0.015 0.000 0.818 468 A HN 0.284 nan 8.150 nan 0.000 0.445 469 T N -0.869 113.665 114.554 -0.033 0.000 2.746 469 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 469 T C 2.046 176.705 174.700 -0.069 0.000 1.039 469 T CA 1.452 63.523 62.100 -0.048 0.000 1.142 469 T CB -0.221 68.617 68.868 -0.049 0.000 0.866 469 T HN 0.574 nan 8.240 nan 0.000 0.444 470 R N 0.927 121.388 120.500 -0.064 0.000 2.120 470 R HA -0.006 4.334 4.340 -0.000 0.000 0.234 470 R C 2.567 178.835 176.300 -0.053 0.000 1.123 470 R CA 1.237 57.294 56.100 -0.072 0.000 0.975 470 R CB -0.400 29.870 30.300 -0.051 0.000 0.866 470 R HN 0.372 nan 8.270 nan 0.000 0.446 471 A N 1.213 124.012 122.820 -0.036 0.000 1.940 471 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 471 A C 2.188 179.758 177.584 -0.023 0.000 1.176 471 A CA 1.429 53.452 52.037 -0.023 0.000 0.631 471 A CB -0.613 18.377 19.000 -0.016 0.000 0.814 471 A HN 0.382 nan 8.150 nan 0.000 0.446 472 R N -0.310 120.170 120.500 -0.033 0.000 2.073 472 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 472 R C 1.988 178.270 176.300 -0.030 0.000 1.134 472 R CA 1.661 57.744 56.100 -0.030 0.000 0.952 472 R CB -0.408 29.870 30.300 -0.037 0.000 0.850 472 R HN 0.538 nan 8.270 nan 0.000 0.433 473 L N 0.354 121.541 121.223 -0.060 0.000 2.056 473 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 473 L C 2.499 179.373 176.870 0.007 0.000 1.078 473 L CA 1.079 55.882 54.840 -0.062 0.000 0.749 473 L CB -0.326 41.616 42.059 -0.196 0.000 0.901 473 L HN 0.238 nan 8.230 nan 0.000 0.433 474 I N -0.431 120.135 120.570 -0.005 0.000 2.286 474 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 474 I C 2.817 178.968 176.117 0.056 0.000 1.115 474 I CA 1.137 62.447 61.300 0.017 0.000 1.392 474 I CB -0.305 37.690 38.000 -0.008 0.000 1.065 474 I HN 0.424 nan 8.210 nan 0.000 0.418 475 Q N 1.314 121.134 119.800 0.034 0.000 2.124 475 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 475 Q C 1.851 177.881 176.000 0.049 0.000 0.977 475 Q CA 1.738 57.563 55.803 0.037 0.000 0.850 475 Q CB -0.047 28.701 28.738 0.017 0.000 0.901 475 Q HN 0.580 nan 8.270 nan 0.000 0.429 476 E N -0.715 119.516 120.200 0.052 0.000 2.077 476 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 476 E C 1.872 178.516 176.600 0.074 0.000 0.989 476 E CA 1.186 57.617 56.400 0.052 0.000 0.800 476 E CB -0.288 29.441 29.700 0.048 0.000 0.746 476 E HN 0.386 nan 8.360 nan 0.000 0.452 477 Y N 2.414 122.714 120.300 -0.001 0.000 2.145 477 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 477 Y C 2.296 178.188 175.900 -0.014 0.000 1.145 477 Y CA 2.100 60.198 58.100 -0.004 0.000 1.148 477 Y CB 0.050 38.506 38.460 -0.007 0.000 0.981 477 Y HN 0.077 nan 8.280 nan 0.000 0.507 478 E N -1.047 119.254 120.200 0.169 0.000 2.110 478 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 478 E C 1.370 177.979 176.600 0.014 0.000 0.988 478 E CA 1.599 58.052 56.400 0.087 0.000 0.804 478 E CB -0.396 29.358 29.700 0.090 0.000 0.745 478 E HN 0.401 nan 8.360 nan 0.000 0.458 479 D N 1.183 121.588 120.400 0.008 0.000 2.103 479 D HA -0.013 4.627 4.640 -0.000 0.000 0.199 479 D C 2.004 178.280 176.300 -0.040 0.000 0.978 479 D CA 1.736 55.732 54.000 -0.006 0.000 0.829 479 D CB -0.261 40.538 40.800 -0.001 0.000 0.981 479 D HN 0.320 nan 8.370 nan 0.000 0.464 480 A N -0.077 122.695 122.820 -0.079 0.000 1.854 480 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 480 A C 1.588 179.061 177.584 -0.184 0.000 1.192 480 A CA 1.081 53.041 52.037 -0.127 0.000 0.611 480 A CB -0.278 18.639 19.000 -0.140 0.000 0.832 480 A HN 0.196 nan 8.150 nan 0.000 0.442 481 L N -1.193 119.829 121.223 -0.336 0.000 2.808 481 L HA 0.345 4.685 4.340 -0.000 0.000 0.246 481 L C -0.719 176.002 176.870 -0.249 0.000 1.153 481 L CA 0.436 55.014 54.840 -0.436 0.000 0.956 481 L CB 0.673 42.122 42.059 -1.017 0.000 1.270 481 L HN 0.120 nan 8.230 nan 0.000 0.528 482 L N 1.155 122.318 121.223 -0.101 0.000 2.679 482 L HA 0.409 4.749 4.340 -0.000 0.000 0.238 482 L C -0.269 176.652 176.870 0.084 0.000 1.330 482 L CA -0.260 54.605 54.840 0.041 0.000 0.935 482 L CB -0.273 41.842 42.059 0.094 0.000 1.243 482 L HN 0.324 nan 8.230 nan 0.000 0.484 483 N N -1.708 117.035 118.700 0.070 0.000 2.494 483 N HA 0.500 5.240 4.740 -0.000 0.000 0.270 483 N C -2.521 173.013 175.510 0.040 0.000 1.285 483 N CA -1.588 51.522 53.050 0.100 0.000 0.812 483 N CB 2.361 40.969 38.487 0.201 0.000 1.557 483 N HN -0.194 nan 8.380 nan 0.000 0.487 484 P HA -0.252 nan 4.420 nan 0.000 0.217 484 P C 0.771 177.962 177.300 -0.183 0.000 1.151 484 P CA 1.651 64.632 63.100 -0.199 0.000 0.849 484 P CB -0.131 31.334 31.700 -0.391 0.000 0.787 485 Y N 0.190 120.475 120.300 -0.025 0.000 2.181 485 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 485 Y C 2.912 178.771 175.900 -0.068 0.000 1.146 485 Y CA 1.784 59.862 58.100 -0.037 0.000 1.164 485 Y CB -1.863 36.578 38.460 -0.032 0.000 0.982 485 Y HN -0.047 nan 8.280 nan 0.000 0.515 486 T N -0.029 114.566 114.554 0.068 0.000 2.699 486 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 486 T C 2.183 176.814 174.700 -0.115 0.000 1.036 486 T CA 1.541 63.621 62.100 -0.032 0.000 1.147 486 T CB -0.577 68.253 68.868 -0.064 0.000 0.862 486 T HN 0.505 nan 8.240 nan 0.000 0.446 487 A N 1.001 123.752 122.820 -0.114 0.000 1.930 487 A HA 0.231 4.551 4.320 -0.000 0.000 0.217 487 A C 2.615 180.141 177.584 -0.096 0.000 1.175 487 A CA 1.732 53.667 52.037 -0.169 0.000 0.627 487 A CB -0.983 18.029 19.000 0.021 0.000 0.815 487 A HN 0.513 nan 8.150 nan 0.000 0.443 488 A N 0.462 123.258 122.820 -0.041 0.000 1.933 488 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 488 A C 1.856 179.446 177.584 0.010 0.000 1.175 488 A CA 1.642 53.671 52.037 -0.012 0.000 0.628 488 A CB -0.565 18.411 19.000 -0.041 0.000 0.814 488 A HN 0.694 nan 8.150 nan 0.000 0.444 489 E N -0.196 120.000 120.200 -0.007 0.000 2.077 489 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 489 E C 2.149 178.717 176.600 -0.053 0.000 0.989 489 E CA 1.004 57.394 56.400 -0.018 0.000 0.800 489 E CB -0.288 29.395 29.700 -0.028 0.000 0.746 489 E HN 0.532 nan 8.360 nan 0.000 0.452 490 R N -0.085 120.323 120.500 -0.154 0.000 2.152 490 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 490 R C 1.451 177.776 176.300 0.043 0.000 1.117 490 R CA 0.970 56.973 56.100 -0.163 0.000 0.981 490 R CB -0.176 29.702 30.300 -0.704 0.000 0.870 490 R HN 0.412 nan 8.270 nan 0.000 0.451 491 G N -0.622 108.219 108.800 0.067 0.000 2.141 491 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.231 491 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.231 491 G C 0.543 175.574 174.900 0.219 0.000 0.984 491 G CA 0.159 45.333 45.100 0.123 0.000 0.660 491 G HN 0.448 nan 8.290 nan 0.000 0.525 492 Y N -0.494 119.806 120.300 0.001 0.000 2.224 492 Y HA 0.101 4.651 4.550 -0.000 0.000 0.289 492 Y C 1.524 177.388 175.900 -0.061 0.000 1.146 492 Y CA 1.209 59.299 58.100 -0.017 0.000 1.182 492 Y CB 0.309 38.806 38.460 0.062 0.000 0.983 492 Y HN 0.210 nan 8.280 nan 0.000 0.524 493 V N 0.076 120.054 119.914 0.107 0.000 2.588 493 V HA 0.054 4.174 4.120 -0.000 0.000 0.304 493 V C -0.411 175.669 176.094 -0.023 0.000 1.042 493 V CA -0.814 61.485 62.300 -0.001 0.000 0.877 493 V CB 1.819 33.619 31.823 -0.038 0.000 0.996 493 V HN 0.082 nan 8.190 nan 0.000 0.425 494 D N 2.519 122.892 120.400 -0.044 0.000 2.123 494 D HA 0.081 4.721 4.640 -0.000 0.000 0.196 494 D C 0.708 176.995 176.300 -0.020 0.000 0.992 494 D CA 1.958 55.944 54.000 -0.022 0.000 0.833 494 D CB 0.148 40.932 40.800 -0.026 0.000 0.954 494 D HN 0.752 nan 8.370 nan 0.000 0.455 495 A N -0.480 122.301 122.820 -0.065 0.000 2.475 495 A HA 0.602 4.922 4.320 -0.000 0.000 0.301 495 A C -1.184 176.337 177.584 -0.105 0.000 1.059 495 A CA -0.626 51.370 52.037 -0.068 0.000 0.710 495 A CB 1.819 20.733 19.000 -0.144 0.000 1.288 495 A HN -0.072 nan 8.150 nan 0.000 0.408 496 V N 3.284 123.144 119.914 -0.089 0.000 2.370 496 V HA 0.525 4.645 4.120 -0.000 0.000 0.283 496 V C -0.145 175.927 176.094 -0.037 0.000 1.023 496 V CA -0.212 62.007 62.300 -0.135 0.000 0.857 496 V CB 0.933 32.558 31.823 -0.329 0.000 0.985 496 V HN 0.785 nan 8.190 nan 0.000 0.443 497 I N 3.000 123.561 120.570 -0.014 0.000 2.608 497 I HA 0.658 4.828 4.170 -0.000 0.000 0.295 497 I C -0.352 175.730 176.117 -0.057 0.000 1.049 497 I CA -1.010 60.289 61.300 -0.002 0.000 1.063 497 I CB 2.094 40.056 38.000 -0.063 0.000 1.248 497 I HN 0.643 nan 8.210 nan 0.000 0.424 498 M N 7.104 126.648 119.600 -0.093 0.000 2.252 498 M HA 0.294 4.774 4.480 -0.000 0.000 0.333 498 M C -1.932 174.069 176.300 -0.499 0.000 1.111 498 M CA -0.519 54.651 55.300 -0.217 0.000 1.140 498 M CB 0.902 33.424 32.600 -0.130 0.000 1.538 498 M HN 0.448 nan 8.290 nan 0.000 0.448 499 P HA -0.138 nan 4.420 nan 0.000 0.216 499 P C 1.110 177.904 177.300 -0.843 0.000 1.150 499 P CA 1.797 63.920 63.100 -1.629 0.000 0.837 499 P CB -0.137 30.752 31.700 -1.352 0.000 0.786 500 S N -0.957 114.479 115.700 -0.440 0.000 2.382 500 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 500 S C 1.672 176.218 174.600 -0.089 0.000 1.027 500 S CA 1.336 59.409 58.200 -0.212 0.000 0.991 500 S CB -1.361 61.763 63.200 -0.127 0.000 0.823 500 S HN 0.137 nan 8.310 nan 0.000 0.469 501 D N 1.243 121.602 120.400 -0.067 0.000 2.378 501 D HA 0.021 4.661 4.640 -0.000 0.000 0.227 501 D C 1.156 177.530 176.300 0.123 0.000 1.012 501 D CA 0.697 54.721 54.000 0.040 0.000 0.905 501 D CB -0.230 40.628 40.800 0.096 0.000 0.895 501 D HN 0.453 nan 8.370 nan 0.000 0.532 502 T N 0.629 115.253 114.554 0.116 0.000 2.737 502 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 502 T C 1.935 176.791 174.700 0.260 0.000 1.040 502 T CA 0.943 63.202 62.100 0.265 0.000 1.142 502 T CB 0.047 69.191 68.868 0.460 0.000 0.861 502 T HN 0.221 nan 8.240 nan 0.000 0.456 503 R N 0.720 121.346 120.500 0.210 0.000 2.081 503 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 503 R C 2.604 178.994 176.300 0.150 0.000 1.131 503 R CA 1.147 57.361 56.100 0.190 0.000 0.960 503 R CB -0.002 30.396 30.300 0.164 0.000 0.856 503 R HN 0.329 nan 8.270 nan 0.000 0.436 504 R N -0.822 119.747 120.500 0.115 0.000 2.081 504 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 504 R C 2.251 178.582 176.300 0.051 0.000 1.131 504 R CA 1.247 57.381 56.100 0.056 0.000 0.960 504 R CB -0.724 29.579 30.300 0.006 0.000 0.856 504 R HN 0.432 nan 8.270 nan 0.000 0.436 505 H N 0.952 120.062 119.070 0.066 0.000 2.326 505 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 505 H C 2.218 177.580 175.328 0.056 0.000 1.081 505 H CA 1.438 57.520 56.048 0.057 0.000 1.334 505 H CB 0.005 29.804 29.762 0.061 0.000 1.385 505 H HN 0.133 nan 8.280 nan 0.000 0.504 506 I N -0.146 120.556 120.570 0.218 0.000 2.315 506 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 506 I C 2.717 178.913 176.117 0.131 0.000 1.117 506 I CA 0.630 62.025 61.300 0.158 0.000 1.404 506 I CB -0.185 37.925 38.000 0.184 0.000 1.071 506 I HN 0.054 nan 8.210 nan 0.000 0.419 507 V N 0.997 120.984 119.914 0.122 0.000 2.343 507 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 507 V C 2.774 178.908 176.094 0.068 0.000 1.051 507 V CA 1.907 64.262 62.300 0.093 0.000 1.036 507 V CB -0.425 31.447 31.823 0.082 0.000 0.654 507 V HN 0.358 nan 8.190 nan 0.000 0.451 508 R N 0.688 121.218 120.500 0.051 0.000 2.066 508 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 508 R C 2.304 178.631 176.300 0.046 0.000 1.131 508 R CA 1.926 58.043 56.100 0.028 0.000 0.955 508 R CB -1.600 28.686 30.300 -0.022 0.000 0.851 508 R HN 0.578 nan 8.270 nan 0.000 0.432 509 G N 0.807 109.651 108.800 0.073 0.000 2.422 509 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 509 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 509 G C 1.684 176.621 174.900 0.062 0.000 1.146 509 G CA 0.426 45.571 45.100 0.075 0.000 0.769 509 G HN 0.280 nan 8.290 nan 0.000 0.547 510 L N -0.538 120.727 121.223 0.071 0.000 2.017 510 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 510 L C 3.193 180.096 176.870 0.054 0.000 1.073 510 L CA 1.253 56.134 54.840 0.068 0.000 0.745 510 L CB -0.290 41.819 42.059 0.084 0.000 0.894 510 L HN 0.180 nan 8.230 nan 0.000 0.432 511 R N -0.722 119.808 120.500 0.050 0.000 2.073 511 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 511 R C 2.405 178.725 176.300 0.033 0.000 1.134 511 R CA 1.372 57.496 56.100 0.040 0.000 0.952 511 R CB -0.148 30.173 30.300 0.036 0.000 0.850 511 R HN 0.385 nan 8.270 nan 0.000 0.433 512 Q N -0.287 119.532 119.800 0.032 0.000 2.079 512 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 512 Q C 1.671 177.686 176.000 0.026 0.000 0.974 512 Q CA 0.977 56.796 55.803 0.026 0.000 0.840 512 Q CB 0.004 28.757 28.738 0.026 0.000 0.898 512 Q HN 0.211 nan 8.270 nan 0.000 0.430 513 L N 0.703 121.945 121.223 0.030 0.000 2.551 513 L HA -0.062 4.278 4.340 -0.000 0.000 0.228 513 L C 2.164 179.049 176.870 0.026 0.000 1.153 513 L CA 1.082 55.938 54.840 0.027 0.000 0.851 513 L CB -0.823 41.255 42.059 0.031 0.000 0.959 513 L HN 0.152 nan 8.230 nan 0.000 0.451 514 R N 0.093 120.610 120.500 0.028 0.000 2.170 514 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 514 R C 0.090 176.402 176.300 0.021 0.000 1.145 514 R CA 1.387 57.504 56.100 0.028 0.000 0.984 514 R CB -0.083 30.234 30.300 0.028 0.000 0.869 514 R HN 0.462 nan 8.270 nan 0.000 0.455 515 T N -0.884 113.680 114.554 0.017 0.000 2.801 515 T HA 0.391 4.741 4.350 -0.000 0.000 0.306 515 T C -0.647 174.059 174.700 0.011 0.000 1.020 515 T CA -0.836 61.272 62.100 0.012 0.000 0.948 515 T CB 1.556 70.430 68.868 0.011 0.000 0.962 515 T HN 0.068 nan 8.240 nan 0.000 0.465 516 K N 2.921 123.327 120.400 0.009 0.000 2.422 516 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 516 K C -0.738 175.863 176.600 0.001 0.000 0.933 516 K CA -0.973 55.317 56.287 0.005 0.000 0.798 516 K CB 1.691 34.195 32.500 0.007 0.000 1.238 516 K HN 0.805 nan 8.250 nan 0.000 0.428 517 R N 1.373 121.872 120.500 -0.002 0.000 2.854 517 R HA 0.562 4.902 4.340 -0.000 0.000 0.271 517 R C -0.923 175.371 176.300 -0.009 0.000 0.994 517 R CA -0.946 55.151 56.100 -0.006 0.000 0.945 517 R CB 1.739 32.036 30.300 -0.004 0.000 1.194 517 R HN 0.497 nan 8.270 nan 0.000 0.476 518 E N 0.131 120.323 120.200 -0.014 0.000 2.449 518 E HA 0.474 4.824 4.350 -0.000 0.000 0.278 518 E C -1.197 175.392 176.600 -0.017 0.000 0.992 518 E CA -1.168 55.222 56.400 -0.016 0.000 0.807 518 E CB 2.447 32.134 29.700 -0.022 0.000 1.350 518 E HN 0.476 nan 8.360 nan 0.000 0.462 519 S N 0.207 115.896 115.700 -0.018 0.000 2.570 519 S HA 0.791 5.261 4.470 -0.000 0.000 0.286 519 S C -1.548 173.040 174.600 -0.021 0.000 1.099 519 S CA -0.496 57.693 58.200 -0.018 0.000 0.913 519 S CB 1.268 64.460 63.200 -0.013 0.000 1.085 519 S HN 0.393 nan 8.310 nan 0.000 0.480 520 L N 2.354 123.564 121.223 -0.022 0.000 2.720 520 L HA 0.618 4.958 4.340 -0.000 0.000 0.261 520 L C -2.549 174.309 176.870 -0.020 0.000 1.046 520 L CA -1.361 53.465 54.840 -0.024 0.000 0.886 520 L CB 1.552 43.591 42.059 -0.033 0.000 1.493 520 L HN 0.479 nan 8.230 nan 0.000 0.407 521 P HA 0.252 nan 4.420 nan 0.000 0.267 521 P C -2.556 174.733 177.300 -0.018 0.000 1.205 521 P CA -0.580 62.510 63.100 -0.017 0.000 0.765 521 P CB -0.265 31.425 31.700 -0.017 0.000 0.828 522 P HA 0.113 nan 4.420 nan 0.000 0.267 522 P C -0.900 176.390 177.300 -0.016 0.000 1.205 522 P CA -0.015 63.078 63.100 -0.013 0.000 0.765 522 P CB 0.617 32.312 31.700 -0.008 0.000 0.828 523 K N 1.378 121.769 120.400 -0.016 0.000 2.464 523 K HA 0.399 4.719 4.320 -0.000 0.000 0.253 523 K C 0.484 177.081 176.600 -0.006 0.000 0.933 523 K CA -1.097 55.172 56.287 -0.030 0.000 0.801 523 K CB 2.526 35.000 32.500 -0.044 0.000 1.271 523 K HN -0.026 nan 8.250 nan 0.000 0.430 524 K N 0.745 121.144 120.400 -0.001 0.000 2.026 524 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 524 K C 0.312 177.020 176.600 0.181 0.000 1.048 524 K CA 1.596 57.941 56.287 0.097 0.000 0.929 524 K CB -0.009 32.597 32.500 0.177 0.000 0.713 524 K HN 0.871 nan 8.250 nan 0.000 0.439 525 H N -3.315 115.760 119.070 0.009 0.000 3.003 525 H HA 0.327 4.883 4.556 -0.000 0.000 0.327 525 H C -0.946 174.410 175.328 0.046 0.000 1.353 525 H CA -0.893 55.166 56.048 0.018 0.000 1.142 525 H CB 0.733 30.496 29.762 0.000 0.000 1.864 525 H HN 0.066 nan 8.280 nan 0.000 0.529 526 G N 0.584 109.462 108.800 0.129 0.000 2.335 526 G HA2 0.159 4.119 3.960 -0.000 0.000 0.314 526 G HA3 0.159 4.119 3.960 -0.000 0.000 0.314 526 G C -0.380 174.605 174.900 0.142 0.000 1.129 526 G CA -0.849 44.354 45.100 0.171 0.000 0.912 526 G HN 0.739 nan 8.290 nan 0.000 0.443 527 N N 3.120 121.824 118.700 0.007 0.000 2.605 527 N HA 0.035 4.775 4.740 -0.000 0.000 0.282 527 N C 0.398 175.707 175.510 -0.336 0.000 1.206 527 N CA -0.385 52.625 53.050 -0.066 0.000 1.074 527 N CB 0.206 38.658 38.487 -0.058 0.000 1.434 527 N HN 0.473 nan 8.380 nan 0.000 0.506 528 I N 3.245 123.484 120.570 -0.552 0.000 2.710 528 I HA 0.092 4.262 4.170 -0.000 0.000 0.286 528 I C -1.968 173.894 176.117 -0.424 0.000 1.181 528 I CA -1.516 59.226 61.300 -0.930 0.000 1.430 528 I CB 0.770 38.339 38.000 -0.719 0.000 1.367 528 I HN 0.325 nan 8.210 nan 0.000 0.577 529 P HA 0.212 nan 4.420 nan 0.000 0.271 529 P C -0.841 176.377 177.300 -0.136 0.000 1.216 529 P CA 0.086 63.071 63.100 -0.191 0.000 0.771 529 P CB 0.617 32.226 31.700 -0.151 0.000 0.864 530 L N 0.000 121.168 121.223 -0.091 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 530 L CB 0.000 42.026 42.059 -0.056 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502