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 1ppj_1_B DATA FIRST_RESID 12 DATA SEQUENCE EXXXXVPPHP QDLEFTRLPN GLVIASLENY APASRIGLFI KAGSRYENSN DATA SEQUENCE NLGTSHLLRL ASSLTTKGAS SFKITRGIEA VGGKLSVTST RENMAYTVEC DATA SEQUENCE LRDDVDILME FLLNVTTAPE FRRWEVAALQ PQLRIDKAVA LQNPQAHVIE DATA SEQUENCE NLHAAAYRNA LANSLYCPDY RIGKVTPVEL HDYVQNHFTS ARMALIGLGV DATA SEQUENCE SHPVLKQVAE QFLNIRGGLG LSGAKAKYHG GEIREQNGDS LVHAALVAES DATA SEQUENCE AAIGSAEANA FSVLQHVLGA GPHVKRGSNA TSSLYQAVAK GVHQPFDVSA DATA SEQUENCE FNASYSDSGL FGFYTISQAA SAGDVIKAAY NQVKTIAQGN LSNPDVQAAK DATA SEQUENCE NKLKAGYLMS VESSEGFLDE VGSQALAAGS YTPPSTVLQQ IDAVADADVI DATA SEQUENCE NAAKKFVSGR KSMAASGNLG HTPFIDEL 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.603 176.600 0.004 0.000 1.382 12 E CA 0.000 56.402 56.400 0.003 0.000 0.976 12 E CB 0.000 29.701 29.700 0.002 0.000 0.812 18 P HA 0.521 nan 4.420 nan 0.000 0.277 18 P C -2.499 174.824 177.300 0.038 0.000 1.276 18 P CA -0.716 62.400 63.100 0.027 0.000 0.788 18 P CB -0.027 31.693 31.700 0.033 0.000 1.114 19 P HA 0.426 nan 4.420 nan 0.000 0.000 19 P C -0.286 177.105 177.300 0.152 0.000 0.000 19 P CA 0.284 63.456 63.100 0.119 0.000 0.000 19 P CB -0.041 31.759 31.700 0.166 0.000 0.000 20 H N -1.691 nan 119.070 nan 0.000 0.000 20 H HA 0.341 4.897 4.556 -0.000 0.000 0.000 20 H C -2.803 172.560 175.328 0.057 0.000 0.000 20 H CA -1.606 54.512 56.048 0.116 0.000 0.000 20 H CB -0.146 29.700 29.762 0.140 0.000 0.000 20 H HN 0.213 nan 8.280 nan 0.000 0.000 21 P HA 0.134 nan 4.420 nan 0.000 0.280 21 P C -0.953 176.443 177.300 0.160 0.000 1.244 21 P CA -0.229 62.959 63.100 0.146 0.000 0.784 21 P CB 2.009 33.753 31.700 0.073 0.000 0.913 22 Q N 1.385 121.261 119.800 0.126 0.000 2.316 22 Q HA 0.240 4.580 4.340 -0.000 0.000 0.215 22 Q C -0.525 175.501 176.000 0.043 0.000 1.020 22 Q CA -0.331 55.527 55.803 0.093 0.000 0.970 22 Q CB 0.676 29.422 28.738 0.013 0.000 1.187 22 Q HN 0.478 nan 8.270 nan 0.000 0.546 23 D N 0.221 120.646 120.400 0.041 0.000 2.326 23 D HA 0.326 4.966 4.640 -0.000 0.000 0.251 23 D C -0.812 175.494 176.300 0.010 0.000 1.023 23 D CA -0.570 53.455 54.000 0.042 0.000 0.966 23 D CB 1.023 41.856 40.800 0.054 0.000 1.156 23 D HN 0.252 nan 8.370 nan 0.000 0.494 24 L N 0.986 122.219 121.223 0.016 0.000 2.410 24 L HA 0.211 4.551 4.340 -0.000 0.000 0.273 24 L C -0.365 176.468 176.870 -0.061 0.000 1.152 24 L CA -0.025 54.789 54.840 -0.042 0.000 0.855 24 L CB 0.334 42.271 42.059 -0.204 0.000 1.129 24 L HN 0.331 nan 8.230 nan 0.000 0.463 25 E N 4.872 125.009 120.200 -0.105 0.000 2.175 25 E HA 0.292 4.642 4.350 -0.000 0.000 0.278 25 E C -1.483 174.996 176.600 -0.201 0.000 0.969 25 E CA -0.431 55.824 56.400 -0.242 0.000 0.796 25 E CB 1.910 31.319 29.700 -0.485 0.000 1.104 25 E HN 0.416 nan 8.360 nan 0.000 0.395 26 F N 1.582 121.370 119.950 -0.270 0.000 2.540 26 F HA 0.441 4.968 4.527 -0.000 0.000 0.317 26 F C -0.974 174.809 175.800 -0.029 0.000 1.104 26 F CA -0.295 57.645 58.000 -0.099 0.000 0.913 26 F CB 2.091 41.063 39.000 -0.047 0.000 1.170 26 F HN 0.206 nan 8.300 nan 0.000 0.450 27 T N 5.760 120.240 114.554 -0.123 0.000 3.071 27 T HA 0.367 4.717 4.350 -0.000 0.000 0.311 27 T C -1.246 173.377 174.700 -0.129 0.000 1.042 27 T CA -0.669 61.468 62.100 0.062 0.000 1.028 27 T CB 1.593 70.617 68.868 0.260 0.000 1.068 27 T HN 0.687 nan 8.240 nan 0.000 0.451 28 R N 3.479 124.005 120.500 0.044 0.000 2.343 28 R HA 0.642 4.982 4.340 -0.000 0.000 0.320 28 R C -0.553 175.764 176.300 0.030 0.000 0.956 28 R CA -0.657 55.458 56.100 0.024 0.000 0.836 28 R CB 0.639 31.037 30.300 0.162 0.000 1.151 28 R HN 0.559 nan 8.270 nan 0.000 0.450 29 L N 5.818 127.039 121.223 -0.004 0.000 2.468 29 L HA 0.333 4.673 4.340 -0.000 0.000 0.254 29 L C -1.402 175.474 176.870 0.010 0.000 1.171 29 L CA -2.101 52.739 54.840 -0.001 0.000 0.809 29 L CB 0.872 42.918 42.059 -0.021 0.000 1.155 29 L HN 0.534 nan 8.230 nan 0.000 0.473 30 P HA -0.137 nan 4.420 nan 0.000 0.216 30 P C 0.681 177.985 177.300 0.006 0.000 1.150 30 P CA 1.088 64.194 63.100 0.009 0.000 0.837 30 P CB -0.033 31.669 31.700 0.004 0.000 0.786 31 N N -1.222 117.477 118.700 -0.001 0.000 2.521 31 N HA 0.021 4.761 4.740 -0.000 0.000 0.188 31 N C 1.296 176.806 175.510 0.001 0.000 1.146 31 N CA 1.190 54.238 53.050 -0.002 0.000 0.893 31 N CB -0.984 37.498 38.487 -0.009 0.000 0.975 31 N HN 0.235 nan 8.380 nan 0.000 0.451 32 G N -0.433 108.371 108.800 0.006 0.000 2.213 32 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 32 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 32 G C -0.223 174.678 174.900 0.002 0.000 0.992 32 G CA 0.077 45.184 45.100 0.012 0.000 0.632 32 G HN 0.468 nan 8.290 nan 0.000 0.511 33 L N 2.064 123.279 121.223 -0.013 0.000 2.455 33 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 33 L C 0.467 177.297 176.870 -0.066 0.000 1.174 33 L CA -0.445 54.376 54.840 -0.032 0.000 0.869 33 L CB 1.013 43.053 42.059 -0.032 0.000 1.130 33 L HN 0.040 nan 8.230 nan 0.000 0.474 34 V N 6.503 126.356 119.914 -0.102 0.000 2.472 34 V HA 0.417 4.537 4.120 -0.000 0.000 0.290 34 V C -0.014 175.925 176.094 -0.259 0.000 1.037 34 V CA -0.394 61.766 62.300 -0.233 0.000 0.908 34 V CB 1.693 33.366 31.823 -0.249 0.000 0.985 34 V HN 0.555 nan 8.190 nan 0.000 0.454 35 I N 3.583 123.949 120.570 -0.340 0.000 2.465 35 I HA 0.797 4.967 4.170 -0.000 0.000 0.291 35 I C -0.015 175.964 176.117 -0.231 0.000 1.014 35 I CA -0.221 60.938 61.300 -0.234 0.000 1.093 35 I CB 2.037 39.898 38.000 -0.232 0.000 1.267 35 I HN 0.705 nan 8.210 nan 0.000 0.431 36 A N 4.207 126.945 122.820 -0.138 0.000 2.427 36 A HA 0.894 5.214 4.320 -0.000 0.000 0.298 36 A C -0.769 176.837 177.584 0.036 0.000 1.036 36 A CA -0.457 51.535 52.037 -0.075 0.000 0.701 36 A CB 1.523 20.415 19.000 -0.180 0.000 1.250 36 A HN 0.674 nan 8.150 nan 0.000 0.412 37 S N 0.991 116.765 115.700 0.123 0.000 2.564 37 S HA 0.803 5.273 4.470 -0.000 0.000 0.274 37 S C -1.341 173.308 174.600 0.082 0.000 1.124 37 S CA -0.679 57.597 58.200 0.126 0.000 0.869 37 S CB 1.601 64.900 63.200 0.165 0.000 1.105 37 S HN 1.755 nan 8.310 nan 0.000 0.472 38 L N 1.459 122.724 121.223 0.070 0.000 2.404 38 L HA 0.728 5.068 4.340 -0.000 0.000 0.272 38 L C -0.852 175.937 176.870 -0.134 0.000 0.980 38 L CA -0.340 54.485 54.840 -0.026 0.000 0.836 38 L CB 1.781 43.809 42.059 -0.052 0.000 1.238 38 L HN 0.923 nan 8.230 nan 0.000 0.408 39 E N 2.835 122.905 120.200 -0.216 0.000 2.152 39 E HA 0.262 4.612 4.350 -0.000 0.000 0.285 39 E C -0.005 176.288 176.600 -0.511 0.000 1.043 39 E CA -0.046 56.115 56.400 -0.399 0.000 0.839 39 E CB 0.660 30.041 29.700 -0.533 0.000 1.069 39 E HN 0.632 nan 8.360 nan 0.000 0.399 40 N N 3.579 122.029 118.700 -0.418 0.000 2.184 40 N HA -0.041 4.699 4.740 -0.000 0.000 0.206 40 N C -0.508 174.914 175.510 -0.147 0.000 1.151 40 N CA -0.239 52.648 53.050 -0.272 0.000 0.878 40 N CB -0.308 38.065 38.487 -0.190 0.000 1.014 40 N HN 0.494 nan 8.380 nan 0.000 0.512 41 Y N -0.922 119.326 120.300 -0.086 0.000 4.409 41 Y HA -0.259 4.291 4.550 -0.000 0.000 0.228 41 Y C 0.772 176.643 175.900 -0.048 0.000 1.108 41 Y CA -0.049 58.009 58.100 -0.071 0.000 1.955 41 Y CB -2.373 36.036 38.460 -0.085 0.000 1.615 41 Y HN 0.417 nan 8.280 nan 0.000 0.665 42 A N -0.054 122.781 122.820 0.026 0.000 2.332 42 A HA 0.517 4.837 4.320 -0.000 0.000 0.258 42 A C -0.883 176.715 177.584 0.022 0.000 1.087 42 A CA -0.655 51.392 52.037 0.017 0.000 0.802 42 A CB 0.282 19.271 19.000 -0.018 0.000 1.042 42 A HN 0.064 nan 8.150 nan 0.000 0.489 43 P HA 0.126 nan 4.420 nan 0.000 0.225 43 P C 0.104 177.411 177.300 0.012 0.000 1.156 43 P CA 1.490 64.600 63.100 0.018 0.000 0.787 43 P CB 0.244 31.953 31.700 0.015 0.000 0.802 44 A N -1.238 121.586 122.820 0.006 0.000 2.384 44 A HA 0.699 5.019 4.320 -0.000 0.000 0.312 44 A C -0.232 177.353 177.584 0.002 0.000 1.113 44 A CA -0.327 51.713 52.037 0.006 0.000 0.779 44 A CB 1.194 20.198 19.000 0.007 0.000 1.307 44 A HN -0.106 nan 8.150 nan 0.000 0.436 45 S N -0.099 115.605 115.700 0.007 0.000 2.568 45 S HA 0.757 5.227 4.470 -0.000 0.000 0.302 45 S C -0.350 174.265 174.600 0.024 0.000 1.082 45 S CA -0.692 57.514 58.200 0.009 0.000 1.009 45 S CB 1.559 64.763 63.200 0.008 0.000 1.069 45 S HN 0.676 nan 8.310 nan 0.000 0.500 46 R N 1.705 122.228 120.500 0.038 0.000 2.514 46 R HA 0.600 4.940 4.340 -0.000 0.000 0.296 46 R C -1.854 174.492 176.300 0.077 0.000 1.012 46 R CA -0.332 55.803 56.100 0.059 0.000 0.897 46 R CB 0.620 30.965 30.300 0.075 0.000 1.184 46 R HN 0.669 nan 8.270 nan 0.000 0.440 47 I N 2.788 123.400 120.570 0.071 0.000 2.545 47 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 47 I C 0.064 176.236 176.117 0.092 0.000 1.040 47 I CA -0.921 60.427 61.300 0.081 0.000 1.068 47 I CB 2.430 40.461 38.000 0.051 0.000 1.251 47 I HN 0.733 nan 8.210 nan 0.000 0.424 48 G N 5.349 114.236 108.800 0.144 0.000 2.638 48 G HA2 0.636 4.596 3.960 -0.000 0.000 0.302 48 G HA3 0.636 4.596 3.960 -0.000 0.000 0.302 48 G C -1.963 173.040 174.900 0.172 0.000 1.365 48 G CA -0.487 44.684 45.100 0.118 0.000 0.987 48 G HN 0.372 nan 8.290 nan 0.000 0.495 49 L N 2.166 123.414 121.223 0.041 0.000 2.295 49 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 49 L C -1.315 175.556 176.870 0.000 0.000 1.018 49 L CA -1.020 53.866 54.840 0.075 0.000 0.841 49 L CB 0.254 42.311 42.059 -0.003 0.000 1.218 49 L HN 0.316 nan 8.230 nan 0.000 0.424 50 F N 5.849 125.788 119.950 -0.018 0.000 2.394 50 F HA 0.579 5.106 4.527 -0.000 0.000 0.340 50 F C 0.291 176.051 175.800 -0.068 0.000 1.105 50 F CA -0.325 57.661 58.000 -0.023 0.000 1.124 50 F CB 0.914 39.905 39.000 -0.015 0.000 1.145 50 F HN 0.246 nan 8.300 nan 0.000 0.505 51 I N 2.495 123.083 120.570 0.029 0.000 2.686 51 I HA 0.287 4.457 4.170 -0.000 0.000 0.295 51 I C -0.550 175.564 176.117 -0.005 0.000 1.114 51 I CA -1.126 60.124 61.300 -0.084 0.000 1.038 51 I CB 2.303 40.063 38.000 -0.400 0.000 1.238 51 I HN 0.393 nan 8.210 nan 0.000 0.420 52 K N 4.558 124.954 120.400 -0.005 0.000 2.111 52 K HA 0.441 4.761 4.320 -0.000 0.000 0.249 52 K C 0.285 176.845 176.600 -0.066 0.000 1.157 52 K CA -0.003 56.303 56.287 0.032 0.000 1.048 52 K CB 0.429 32.913 32.500 -0.028 0.000 1.498 52 K HN 0.756 nan 8.250 nan 0.000 0.344 53 A N 1.895 124.784 122.820 0.115 0.000 2.569 53 A HA 0.233 4.553 4.320 -0.000 0.000 0.284 53 A C 0.726 178.529 177.584 0.366 0.000 0.948 53 A CA -0.419 51.725 52.037 0.178 0.000 1.007 53 A CB 0.481 19.675 19.000 0.323 0.000 1.232 53 A HN 0.619 nan 8.150 nan 0.000 0.530 54 G N 0.100 109.097 108.800 0.328 0.000 2.712 54 G HA2 0.298 4.258 3.960 -0.000 0.000 0.258 54 G HA3 0.298 4.258 3.960 -0.000 0.000 0.258 54 G C 1.266 176.228 174.900 0.103 0.000 1.241 54 G CA 0.478 45.665 45.100 0.146 0.000 0.923 54 G HN 0.927 nan 8.290 nan 0.000 0.548 55 S N -0.693 114.980 115.700 -0.045 0.000 2.465 55 S HA -0.218 4.252 4.470 -0.000 0.000 0.241 55 S C 2.059 176.576 174.600 -0.137 0.000 1.000 55 S CA 1.417 59.566 58.200 -0.085 0.000 0.964 55 S CB -0.332 62.776 63.200 -0.153 0.000 0.763 55 S HN 0.825 nan 8.310 nan 0.000 0.512 56 R N -0.109 120.213 120.500 -0.297 0.000 2.193 56 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 56 R C 1.030 177.054 176.300 -0.461 0.000 1.110 56 R CA 1.262 57.092 56.100 -0.450 0.000 0.988 56 R CB -0.763 29.143 30.300 -0.657 0.000 0.871 56 R HN 0.503 nan 8.270 nan 0.000 0.458 57 Y N 1.535 121.811 120.300 -0.040 0.000 2.490 57 Y HA 0.233 4.783 4.550 -0.000 0.000 0.281 57 Y C 0.160 176.101 175.900 0.068 0.000 1.174 57 Y CA -0.338 57.727 58.100 -0.057 0.000 1.295 57 Y CB 0.024 38.269 38.460 -0.358 0.000 1.062 57 Y HN 0.143 nan 8.280 nan 0.000 0.522 58 E N 1.087 121.406 120.200 0.199 0.000 2.318 58 E HA 0.203 4.553 4.350 -0.000 0.000 0.265 58 E C -0.298 176.373 176.600 0.119 0.000 1.069 58 E CA -0.538 55.990 56.400 0.214 0.000 0.893 58 E CB 0.632 30.384 29.700 0.086 0.000 1.076 58 E HN 0.320 nan 8.360 nan 0.000 0.414 59 N N -1.001 117.770 118.700 0.118 0.000 2.653 59 N HA 0.103 4.843 4.740 -0.000 0.000 0.294 59 N C 0.302 175.855 175.510 0.073 0.000 1.305 59 N CA -0.753 52.347 53.050 0.083 0.000 0.827 59 N CB 0.897 39.437 38.487 0.089 0.000 1.415 59 N HN 0.251 nan 8.380 nan 0.000 0.546 60 S N -0.979 114.759 115.700 0.065 0.000 2.423 60 S HA -0.141 4.329 4.470 -0.000 0.000 0.238 60 S C 0.767 175.423 174.600 0.093 0.000 1.028 60 S CA 1.301 59.545 58.200 0.074 0.000 1.000 60 S CB -0.734 62.499 63.200 0.054 0.000 0.797 60 S HN 0.564 nan 8.310 nan 0.000 0.487 61 N N 1.763 120.511 118.700 0.080 0.000 2.373 61 N HA 0.039 4.779 4.740 -0.000 0.000 0.181 61 N C 0.376 175.926 175.510 0.067 0.000 1.082 61 N CA 0.544 53.642 53.050 0.080 0.000 0.885 61 N CB -0.064 38.462 38.487 0.064 0.000 0.977 61 N HN 0.697 nan 8.380 nan 0.000 0.462 62 N N 0.265 119.001 118.700 0.060 0.000 2.451 62 N HA 0.074 4.814 4.740 -0.000 0.000 0.271 62 N C -0.486 175.011 175.510 -0.021 0.000 1.410 62 N CA -0.195 52.868 53.050 0.022 0.000 0.884 62 N CB -0.526 37.995 38.487 0.056 0.000 1.332 62 N HN -0.017 nan 8.380 nan 0.000 0.498 63 L N 0.439 121.654 121.223 -0.013 0.000 2.559 63 L HA 0.225 4.565 4.340 -0.000 0.000 0.282 63 L C 1.539 178.339 176.870 -0.116 0.000 1.232 63 L CA 1.352 56.166 54.840 -0.043 0.000 0.885 63 L CB 0.132 42.192 42.059 0.001 0.000 1.131 63 L HN 0.572 nan 8.230 nan 0.000 0.498 64 G N 1.577 110.309 108.800 -0.113 0.000 2.199 64 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 64 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 64 G C 0.862 175.656 174.900 -0.177 0.000 0.982 64 G CA 0.541 45.574 45.100 -0.112 0.000 0.632 64 G HN 0.637 nan 8.290 nan 0.000 0.529 65 T N 1.344 115.747 114.554 -0.252 0.000 2.746 65 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 65 T C 2.735 177.140 174.700 -0.492 0.000 1.039 65 T CA 2.709 64.589 62.100 -0.367 0.000 1.142 65 T CB -0.371 68.260 68.868 -0.395 0.000 0.866 65 T HN 1.239 nan 8.240 nan 0.000 0.444 66 S N 0.615 115.963 115.700 -0.585 0.000 2.453 66 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 66 S C 1.825 176.321 174.600 -0.174 0.000 1.005 66 S CA 0.997 58.913 58.200 -0.474 0.000 0.949 66 S CB -0.702 62.278 63.200 -0.366 0.000 0.774 66 S HN 0.771 nan 8.310 nan 0.000 0.510 67 H N 0.199 119.112 119.070 -0.260 0.000 2.333 67 H HA 0.040 4.596 4.556 -0.000 0.000 0.302 67 H C 2.166 177.397 175.328 -0.161 0.000 1.075 67 H CA 1.198 57.122 56.048 -0.206 0.000 1.348 67 H CB -0.145 29.510 29.762 -0.178 0.000 1.393 67 H HN 0.392 nan 8.280 nan 0.000 0.509 68 L N 0.914 122.020 121.223 -0.195 0.000 2.083 68 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 68 L C 2.338 179.119 176.870 -0.150 0.000 1.083 68 L CA 1.115 55.807 54.840 -0.247 0.000 0.752 68 L CB -0.787 41.117 42.059 -0.259 0.000 0.899 68 L HN 0.355 nan 8.230 nan 0.000 0.433 69 L N -0.132 121.003 121.223 -0.147 0.000 2.083 69 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 69 L C 2.732 179.642 176.870 0.068 0.000 1.083 69 L CA 1.971 56.788 54.840 -0.039 0.000 0.752 69 L CB -0.714 41.322 42.059 -0.038 0.000 0.899 69 L HN 0.380 nan 8.230 nan 0.000 0.433 70 R N -0.804 119.705 120.500 0.015 0.000 2.120 70 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 70 R C 1.887 178.183 176.300 -0.007 0.000 1.123 70 R CA 1.501 57.590 56.100 -0.020 0.000 0.975 70 R CB -0.218 30.063 30.300 -0.031 0.000 0.866 70 R HN 0.486 nan 8.270 nan 0.000 0.446 71 L N -0.358 120.864 121.223 -0.002 0.000 2.567 71 L HA 0.224 4.564 4.340 -0.000 0.000 0.225 71 L C 1.620 178.494 176.870 0.006 0.000 1.119 71 L CA 0.249 55.081 54.840 -0.013 0.000 0.871 71 L CB 0.263 42.282 42.059 -0.068 0.000 1.036 71 L HN 0.180 nan 8.230 nan 0.000 0.459 72 A N -0.284 122.563 122.820 0.045 0.000 2.379 72 A HA 0.060 4.380 4.320 -0.000 0.000 0.236 72 A C 2.141 179.801 177.584 0.127 0.000 1.272 72 A CA 0.551 52.643 52.037 0.091 0.000 0.886 72 A CB -0.262 18.829 19.000 0.151 0.000 0.962 72 A HN 0.376 nan 8.150 nan 0.000 0.504 73 S N 0.432 116.211 115.700 0.132 0.000 2.440 73 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 73 S C 1.569 176.211 174.600 0.070 0.000 1.010 73 S CA 1.614 59.913 58.200 0.165 0.000 0.972 73 S CB -0.601 62.711 63.200 0.186 0.000 0.774 73 S HN 0.977 nan 8.310 nan 0.000 0.501 74 S N 0.455 116.170 115.700 0.025 0.000 2.575 74 S HA 0.453 4.923 4.470 -0.000 0.000 0.237 74 S C 0.342 174.932 174.600 -0.016 0.000 0.975 74 S CA -0.829 57.359 58.200 -0.020 0.000 0.960 74 S CB -0.451 62.722 63.200 -0.045 0.000 0.822 74 S HN 0.442 nan 8.310 nan 0.000 0.472 75 L N 1.643 122.862 121.223 -0.006 0.000 2.475 75 L HA 0.322 4.662 4.340 -0.000 0.000 0.253 75 L C 0.676 177.514 176.870 -0.052 0.000 1.198 75 L CA -0.605 54.222 54.840 -0.021 0.000 0.814 75 L CB 0.227 42.279 42.059 -0.012 0.000 1.134 75 L HN 0.128 nan 8.230 nan 0.000 0.478 76 T N 0.735 115.258 114.554 -0.052 0.000 2.934 76 T HA 0.198 4.548 4.350 -0.000 0.000 0.306 76 T C 0.288 174.922 174.700 -0.110 0.000 1.042 76 T CA -0.126 61.947 62.100 -0.045 0.000 1.145 76 T CB 0.418 69.278 68.868 -0.014 0.000 0.982 76 T HN 0.789 nan 8.240 nan 0.000 0.544 77 T N 0.063 114.575 114.554 -0.069 0.000 2.910 77 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 77 T C 1.075 175.745 174.700 -0.050 0.000 1.050 77 T CA -1.173 60.868 62.100 -0.098 0.000 1.011 77 T CB 1.674 70.498 68.868 -0.073 0.000 1.195 77 T HN 0.397 nan 8.240 nan 0.000 0.540 78 K N 0.156 120.523 120.400 -0.054 0.000 2.097 78 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 78 K C 2.082 178.676 176.600 -0.009 0.000 1.049 78 K CA 1.549 57.821 56.287 -0.026 0.000 0.933 78 K CB -0.460 32.025 32.500 -0.026 0.000 0.717 78 K HN 0.773 nan 8.250 nan 0.000 0.442 79 G N -0.430 108.361 108.800 -0.014 0.000 2.986 79 G HA2 0.330 4.290 3.960 -0.000 0.000 0.213 79 G HA3 0.330 4.290 3.960 -0.000 0.000 0.213 79 G C -0.230 174.685 174.900 0.026 0.000 1.156 79 G CA 0.241 45.335 45.100 -0.010 0.000 0.763 79 G HN 0.282 nan 8.290 nan 0.000 0.547 80 A N 0.285 123.143 122.820 0.063 0.000 2.513 80 A HA 0.651 4.971 4.320 -0.000 0.000 0.296 80 A C 0.006 177.654 177.584 0.107 0.000 1.052 80 A CA -0.081 52.039 52.037 0.138 0.000 0.714 80 A CB 0.813 19.992 19.000 0.299 0.000 1.279 80 A HN 0.747 nan 8.150 nan 0.000 0.397 81 S N 1.271 117.044 115.700 0.123 0.000 2.600 81 S HA 0.361 4.831 4.470 -0.000 0.000 0.265 81 S C 1.373 176.031 174.600 0.097 0.000 1.325 81 S CA 0.457 58.725 58.200 0.114 0.000 1.002 81 S CB 1.327 64.620 63.200 0.155 0.000 0.921 81 S HN 1.548 nan 8.310 nan 0.000 0.554 82 S N 0.659 116.412 115.700 0.088 0.000 2.370 82 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 82 S C 1.446 176.082 174.600 0.059 0.000 1.033 82 S CA 1.539 59.770 58.200 0.052 0.000 1.011 82 S CB -0.949 62.292 63.200 0.068 0.000 0.852 82 S HN 0.721 nan 8.310 nan 0.000 0.457 83 F N 2.082 122.024 119.950 -0.012 0.000 2.095 83 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 83 F C 2.285 178.062 175.800 -0.039 0.000 1.104 83 F CA 2.146 60.136 58.000 -0.018 0.000 1.232 83 F CB -0.388 38.615 39.000 0.005 0.000 0.987 83 F HN 0.168 nan 8.300 nan 0.000 0.475 84 K N 0.569 121.034 120.400 0.109 0.000 2.097 84 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 84 K C 2.119 178.568 176.600 -0.252 0.000 1.050 84 K CA 1.790 58.083 56.287 0.010 0.000 0.938 84 K CB -0.306 32.317 32.500 0.205 0.000 0.718 84 K HN 0.402 nan 8.250 nan 0.000 0.442 85 I N 0.691 121.066 120.570 -0.325 0.000 2.163 85 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 85 I C 2.120 177.854 176.117 -0.638 0.000 1.085 85 I CA 1.533 62.397 61.300 -0.726 0.000 1.347 85 I CB -0.385 37.390 38.000 -0.374 0.000 1.044 85 I HN 0.256 nan 8.210 nan 0.000 0.408 86 T N 0.298 114.613 114.554 -0.397 0.000 2.701 86 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 86 T C 2.062 176.548 174.700 -0.355 0.000 1.040 86 T CA 0.941 62.842 62.100 -0.331 0.000 1.147 86 T CB -0.139 68.576 68.868 -0.255 0.000 0.865 86 T HN 0.156 nan 8.240 nan 0.000 0.426 87 R N 0.949 121.174 120.500 -0.458 0.000 2.081 87 R HA 0.042 4.382 4.340 -0.000 0.000 0.235 87 R C 2.783 178.943 176.300 -0.233 0.000 1.131 87 R CA 1.415 57.281 56.100 -0.391 0.000 0.960 87 R CB -1.420 28.523 30.300 -0.594 0.000 0.856 87 R HN 0.514 nan 8.270 nan 0.000 0.436 88 G N 0.900 109.559 108.800 -0.234 0.000 2.418 88 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 88 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 88 G C 1.623 176.502 174.900 -0.034 0.000 1.158 88 G CA 0.420 45.496 45.100 -0.040 0.000 0.771 88 G HN 0.239 nan 8.290 nan 0.000 0.545 89 I N 0.275 120.699 120.570 -0.242 0.000 2.353 89 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 89 I C 2.688 178.759 176.117 -0.077 0.000 1.119 89 I CA 0.910 62.134 61.300 -0.126 0.000 1.417 89 I CB -0.187 37.685 38.000 -0.213 0.000 1.078 89 I HN 0.230 nan 8.210 nan 0.000 0.421 90 E N 1.027 121.159 120.200 -0.114 0.000 2.150 90 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 90 E C 2.344 178.915 176.600 -0.050 0.000 0.985 90 E CA 1.045 57.397 56.400 -0.081 0.000 0.814 90 E CB -0.100 29.538 29.700 -0.103 0.000 0.752 90 E HN 0.479 nan 8.360 nan 0.000 0.466 91 A N 1.286 124.080 122.820 -0.044 0.000 1.940 91 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 91 A C 2.277 179.861 177.584 0.000 0.000 1.176 91 A CA 1.672 53.699 52.037 -0.017 0.000 0.631 91 A CB -0.484 18.515 19.000 -0.001 0.000 0.814 91 A HN 0.230 nan 8.150 nan 0.000 0.446 92 V N -3.885 116.035 119.914 0.010 0.000 3.249 92 V HA 0.566 4.686 4.120 -0.000 0.000 0.338 92 V C 1.111 177.210 176.094 0.008 0.000 1.363 92 V CA 0.248 62.557 62.300 0.016 0.000 1.205 92 V CB -0.987 30.856 31.823 0.032 0.000 1.164 92 V HN 1.406 nan 8.190 nan 0.000 0.458 93 G N 0.185 108.983 108.800 -0.004 0.000 2.283 93 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.280 93 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.280 93 G C 0.570 175.467 174.900 -0.005 0.000 1.029 93 G CA 0.413 45.508 45.100 -0.008 0.000 0.840 93 G HN 1.329 nan 8.290 nan 0.000 0.505 94 G N -1.092 107.705 108.800 -0.004 0.000 2.563 94 G HA2 0.625 4.585 3.960 -0.000 0.000 0.283 94 G HA3 0.625 4.585 3.960 -0.000 0.000 0.283 94 G C -0.132 174.762 174.900 -0.011 0.000 1.309 94 G CA -0.000 45.102 45.100 0.003 0.000 1.022 94 G HN 0.621 nan 8.290 nan 0.000 0.501 95 K N -1.214 119.184 120.400 -0.003 0.000 2.498 95 K HA 0.561 4.881 4.320 -0.000 0.000 0.254 95 K C -2.095 174.503 176.600 -0.004 0.000 0.933 95 K CA -0.771 55.509 56.287 -0.011 0.000 0.806 95 K CB 2.085 34.581 32.500 -0.006 0.000 1.301 95 K HN 0.355 nan 8.250 nan 0.000 0.432 96 L N 2.778 123.992 121.223 -0.014 0.000 2.439 96 L HA 0.598 4.938 4.340 -0.000 0.000 0.270 96 L C -1.588 175.274 176.870 -0.013 0.000 0.972 96 L CA 0.135 54.976 54.840 0.001 0.000 0.836 96 L CB 1.857 43.917 42.059 0.000 0.000 1.255 96 L HN 0.727 nan 8.230 nan 0.000 0.404 97 S N 3.459 119.146 115.700 -0.023 0.000 2.588 97 S HA 0.928 5.398 4.470 -0.000 0.000 0.275 97 S C -1.259 173.255 174.600 -0.143 0.000 1.130 97 S CA -0.733 57.427 58.200 -0.066 0.000 0.855 97 S CB 1.945 65.109 63.200 -0.060 0.000 1.116 97 S HN 0.480 nan 8.310 nan 0.000 0.472 98 V N 1.662 121.449 119.914 -0.211 0.000 2.487 98 V HA 0.678 4.798 4.120 -0.000 0.000 0.298 98 V C -0.413 175.511 176.094 -0.285 0.000 1.028 98 V CA -0.384 61.674 62.300 -0.404 0.000 0.860 98 V CB 1.592 33.095 31.823 -0.533 0.000 0.991 98 V HN 1.053 nan 8.190 nan 0.000 0.427 99 T N 3.184 117.558 114.554 -0.299 0.000 2.841 99 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 99 T C -0.391 174.192 174.700 -0.195 0.000 1.000 99 T CA -0.485 61.494 62.100 -0.201 0.000 0.977 99 T CB 1.712 70.487 68.868 -0.156 0.000 0.979 99 T HN 0.668 nan 8.240 nan 0.000 0.446 100 S N 1.499 117.108 115.700 -0.152 0.000 2.570 100 S HA 0.862 5.332 4.470 -0.000 0.000 0.286 100 S C 0.012 174.554 174.600 -0.097 0.000 1.099 100 S CA -0.980 57.146 58.200 -0.124 0.000 0.913 100 S CB 2.071 65.182 63.200 -0.147 0.000 1.085 100 S HN 0.928 nan 8.310 nan 0.000 0.480 101 T N -1.037 113.486 114.554 -0.051 0.000 2.724 101 T HA 0.514 4.864 4.350 -0.000 0.000 0.274 101 T C 0.629 175.294 174.700 -0.059 0.000 0.984 101 T CA -0.981 61.105 62.100 -0.024 0.000 1.024 101 T CB 0.988 69.895 68.868 0.065 0.000 1.320 101 T HN 0.395 nan 8.240 nan 0.000 0.555 102 R N 0.174 120.629 120.500 -0.075 0.000 2.235 102 R HA 0.072 4.412 4.340 -0.000 0.000 0.213 102 R C 1.749 177.944 176.300 -0.176 0.000 1.059 102 R CA 1.191 57.173 56.100 -0.198 0.000 0.997 102 R CB 0.008 30.075 30.300 -0.388 0.000 0.884 102 R HN 0.696 nan 8.270 nan 0.000 0.462 103 E N -0.879 119.298 120.200 -0.038 0.000 2.367 103 E HA 0.089 4.439 4.350 -0.000 0.000 0.204 103 E C -0.055 176.651 176.600 0.176 0.000 0.840 103 E CA 0.151 56.573 56.400 0.036 0.000 1.051 103 E CB 0.542 30.299 29.700 0.094 0.000 1.051 103 E HN 0.311 nan 8.360 nan 0.000 0.509 104 N N 0.284 119.063 118.700 0.132 0.000 2.381 104 N HA 0.510 5.250 4.740 -0.000 0.000 0.294 104 N C -0.996 174.549 175.510 0.059 0.000 1.216 104 N CA -0.454 52.675 53.050 0.132 0.000 0.803 104 N CB 2.024 40.613 38.487 0.170 0.000 1.372 104 N HN -0.170 nan 8.380 nan 0.000 0.500 105 M N 1.391 121.004 119.600 0.022 0.000 2.327 105 M HA 0.553 5.033 4.480 -0.000 0.000 0.298 105 M C -1.517 174.682 176.300 -0.168 0.000 1.065 105 M CA -0.610 54.650 55.300 -0.067 0.000 0.916 105 M CB 2.259 34.873 32.600 0.022 0.000 1.630 105 M HN 0.631 nan 8.290 nan 0.000 0.442 106 A N 3.216 125.836 122.820 -0.334 0.000 2.332 106 A HA 0.724 5.044 4.320 -0.000 0.000 0.300 106 A C -1.932 175.390 177.584 -0.437 0.000 1.153 106 A CA -0.431 51.270 52.037 -0.560 0.000 0.764 106 A CB 0.647 19.060 19.000 -0.978 0.000 1.174 106 A HN 0.742 nan 8.150 nan 0.000 0.467 107 Y N 1.729 121.837 120.300 -0.320 0.000 2.367 107 Y HA 0.509 5.059 4.550 -0.000 0.000 0.342 107 Y C 1.080 176.878 175.900 -0.169 0.000 0.979 107 Y CA 0.080 58.078 58.100 -0.172 0.000 1.161 107 Y CB 1.851 40.256 38.460 -0.091 0.000 1.155 107 Y HN 0.680 nan 8.280 nan 0.000 0.503 108 T N 1.020 115.559 114.554 -0.025 0.000 2.841 108 T HA 0.780 5.130 4.350 -0.000 0.000 0.283 108 T C -0.754 173.960 174.700 0.024 0.000 1.000 108 T CA -0.844 61.248 62.100 -0.013 0.000 0.977 108 T CB 1.040 69.880 68.868 -0.046 0.000 0.979 108 T HN 0.464 nan 8.240 nan 0.000 0.446 109 V N -0.023 119.914 119.914 0.039 0.000 2.769 109 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 109 V C -0.851 175.265 176.094 0.037 0.000 1.061 109 V CA -1.055 61.271 62.300 0.042 0.000 0.931 109 V CB 1.584 33.442 31.823 0.058 0.000 1.010 109 V HN 1.066 nan 8.190 nan 0.000 0.433 110 E N 2.352 122.570 120.200 0.030 0.000 2.272 110 E HA 0.808 5.158 4.350 -0.000 0.000 0.269 110 E C -1.005 175.609 176.600 0.024 0.000 0.877 110 E CA -0.519 55.897 56.400 0.026 0.000 0.755 110 E CB 2.279 31.991 29.700 0.020 0.000 1.192 110 E HN 1.264 nan 8.360 nan 0.000 0.422 111 C N -0.312 119.001 119.300 0.022 0.000 3.216 111 C HA 0.462 4.922 4.460 -0.000 0.000 0.346 111 C C -0.900 174.100 174.990 0.016 0.000 1.384 111 C CA -1.202 57.828 59.018 0.020 0.000 1.208 111 C CB -0.254 27.503 27.740 0.028 0.000 1.483 111 C HN 0.766 nan 8.230 nan 0.000 0.453 112 L N 2.220 123.452 121.223 0.015 0.000 2.467 112 L HA 0.299 4.639 4.340 -0.000 0.000 0.270 112 L C 2.267 179.144 176.870 0.012 0.000 1.205 112 L CA -0.122 54.725 54.840 0.012 0.000 0.828 112 L CB 0.470 42.536 42.059 0.012 0.000 1.101 112 L HN 1.013 nan 8.230 nan 0.000 0.479 113 R N 0.253 120.760 120.500 0.011 0.000 2.159 113 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 113 R C 0.496 176.801 176.300 0.009 0.000 1.131 113 R CA 1.493 57.599 56.100 0.009 0.000 0.982 113 R CB -0.323 29.983 30.300 0.009 0.000 0.868 113 R HN 0.602 nan 8.270 nan 0.000 0.453 114 D N 1.059 121.465 120.400 0.010 0.000 2.347 114 D HA -0.061 4.579 4.640 -0.000 0.000 0.215 114 D C 0.363 176.666 176.300 0.005 0.000 0.976 114 D CA 0.801 54.806 54.000 0.008 0.000 0.884 114 D CB -0.004 40.801 40.800 0.009 0.000 0.915 114 D HN 0.354 nan 8.370 nan 0.000 0.526 115 D N 0.019 120.424 120.400 0.008 0.000 2.402 115 D HA 0.038 4.678 4.640 -0.000 0.000 0.216 115 D C 1.896 178.200 176.300 0.007 0.000 1.128 115 D CA -0.053 53.953 54.000 0.009 0.000 0.833 115 D CB 1.096 41.908 40.800 0.020 0.000 0.971 115 D HN -0.004 nan 8.370 nan 0.000 0.503 116 V N 2.269 122.184 119.914 0.002 0.000 2.469 116 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 116 V C 2.272 178.354 176.094 -0.021 0.000 1.064 116 V CA 2.101 64.400 62.300 -0.002 0.000 1.066 116 V CB -0.385 31.437 31.823 -0.002 0.000 0.667 116 V HN 0.267 nan 8.190 nan 0.000 0.461 117 D N 0.376 120.757 120.400 -0.032 0.000 2.123 117 D HA -0.222 4.418 4.640 -0.000 0.000 0.196 117 D C 1.920 178.155 176.300 -0.109 0.000 0.992 117 D CA 1.685 55.648 54.000 -0.063 0.000 0.833 117 D CB -0.551 40.217 40.800 -0.053 0.000 0.954 117 D HN 0.463 nan 8.370 nan 0.000 0.455 118 I N 0.027 120.544 120.570 -0.088 0.000 2.163 118 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 118 I C 2.523 178.575 176.117 -0.108 0.000 1.081 118 I CA 0.528 61.746 61.300 -0.137 0.000 1.353 118 I CB -0.182 37.807 38.000 -0.018 0.000 1.054 118 I HN 0.003 nan 8.210 nan 0.000 0.407 119 L N -0.252 120.995 121.223 0.040 0.000 2.083 119 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 119 L C 2.525 179.424 176.870 0.048 0.000 1.083 119 L CA 1.837 56.752 54.840 0.125 0.000 0.752 119 L CB -0.938 41.174 42.059 0.089 0.000 0.899 119 L HN 0.360 nan 8.230 nan 0.000 0.433 120 M N 0.043 119.622 119.600 -0.036 0.000 2.159 120 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 120 M C 2.139 178.347 176.300 -0.153 0.000 1.063 120 M CA 1.607 56.863 55.300 -0.072 0.000 1.110 120 M CB -0.414 32.139 32.600 -0.079 0.000 1.374 120 M HN 0.216 nan 8.290 nan 0.000 0.411 121 E N -1.072 118.975 120.200 -0.255 0.000 2.110 121 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 121 E C 1.674 178.096 176.600 -0.298 0.000 0.988 121 E CA 1.351 57.527 56.400 -0.374 0.000 0.804 121 E CB -0.124 29.275 29.700 -0.501 0.000 0.745 121 E HN 0.507 nan 8.360 nan 0.000 0.458 122 F N 0.497 120.390 119.950 -0.096 0.000 2.163 122 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 122 F C 2.191 177.945 175.800 -0.076 0.000 1.094 122 F CA 0.637 58.591 58.000 -0.076 0.000 1.290 122 F CB -0.815 38.154 39.000 -0.051 0.000 1.017 122 F HN 0.138 nan 8.300 nan 0.000 0.483 123 L N 0.167 121.457 121.223 0.111 0.000 2.012 123 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 123 L C 2.047 178.890 176.870 -0.045 0.000 1.073 123 L CA 1.812 56.673 54.840 0.034 0.000 0.748 123 L CB -0.926 41.147 42.059 0.023 0.000 0.891 123 L HN 0.130 nan 8.230 nan 0.000 0.431 124 L N -0.651 120.518 121.223 -0.089 0.000 2.093 124 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 124 L C 2.420 179.228 176.870 -0.103 0.000 1.085 124 L CA 1.110 55.876 54.840 -0.123 0.000 0.755 124 L CB -0.757 41.155 42.059 -0.246 0.000 0.904 124 L HN 0.401 nan 8.230 nan 0.000 0.435 125 N N -0.145 118.501 118.700 -0.090 0.000 2.142 125 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 125 N C 1.889 177.361 175.510 -0.064 0.000 1.023 125 N CA 1.299 54.311 53.050 -0.063 0.000 0.852 125 N CB -0.071 38.407 38.487 -0.015 0.000 0.998 125 N HN 0.104 nan 8.380 nan 0.000 0.424 126 V N 1.234 121.122 119.914 -0.042 0.000 2.343 126 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 126 V C 2.512 178.532 176.094 -0.123 0.000 1.051 126 V CA 2.278 64.540 62.300 -0.064 0.000 1.036 126 V CB -0.934 30.888 31.823 -0.001 0.000 0.654 126 V HN 0.550 nan 8.190 nan 0.000 0.451 127 T N -2.936 111.527 114.554 -0.150 0.000 3.054 127 T HA -0.060 4.290 4.350 -0.000 0.000 0.259 127 T C 1.518 176.253 174.700 0.059 0.000 1.092 127 T CA 1.266 63.318 62.100 -0.080 0.000 1.121 127 T CB -0.071 68.666 68.868 -0.219 0.000 0.912 127 T HN 0.594 nan 8.240 nan 0.000 0.489 128 T N -2.108 112.442 114.554 -0.007 0.000 3.003 128 T HA 0.645 4.995 4.350 -0.000 0.000 0.261 128 T C 1.054 175.742 174.700 -0.020 0.000 1.003 128 T CA 0.145 62.256 62.100 0.019 0.000 0.917 128 T CB 0.279 69.171 68.868 0.040 0.000 1.084 128 T HN 0.428 nan 8.240 nan 0.000 0.522 129 A N 2.382 125.160 122.820 -0.069 0.000 2.663 129 A HA 0.548 4.868 4.320 -0.000 0.000 0.273 129 A C -2.836 174.646 177.584 -0.171 0.000 0.932 129 A CA -1.078 50.908 52.037 -0.085 0.000 1.055 129 A CB 0.469 19.436 19.000 -0.056 0.000 1.206 129 A HN 0.392 nan 8.150 nan 0.000 0.485 130 P HA 0.185 nan 4.420 nan 0.000 0.275 130 P C -0.056 176.886 177.300 -0.597 0.000 1.228 130 P CA 0.254 62.990 63.100 -0.606 0.000 0.786 130 P CB 1.360 32.418 31.700 -1.069 0.000 0.927 131 E N 0.514 120.398 120.200 -0.526 0.000 2.389 131 E HA 0.093 4.443 4.350 -0.000 0.000 0.199 131 E C -0.264 176.217 176.600 -0.198 0.000 0.978 131 E CA -0.093 56.166 56.400 -0.236 0.000 0.912 131 E CB -0.218 29.398 29.700 -0.141 0.000 0.907 131 E HN 0.290 nan 8.360 nan 0.000 0.494 132 F N 1.773 121.593 119.950 -0.217 0.000 2.829 132 F HA -0.255 4.272 4.527 -0.000 0.000 0.237 132 F C 0.148 175.794 175.800 -0.257 0.000 1.017 132 F CA 0.377 58.208 58.000 -0.283 0.000 0.882 132 F CB -2.088 36.622 39.000 -0.484 0.000 0.795 132 F HN -0.063 nan 8.300 nan 0.000 0.848 133 R N 0.679 121.032 120.500 -0.245 0.000 2.522 133 R HA 0.092 4.432 4.340 -0.000 0.000 0.284 133 R C 1.682 177.627 176.300 -0.593 0.000 1.032 133 R CA -0.057 55.684 56.100 -0.598 0.000 1.049 133 R CB 0.381 30.059 30.300 -1.036 0.000 0.956 133 R HN 0.451 nan 8.270 nan 0.000 0.422 134 R N 2.753 122.954 120.500 -0.497 0.000 2.133 134 R HA -0.240 4.100 4.340 -0.000 0.000 0.245 134 R C 1.643 177.888 176.300 -0.091 0.000 1.137 134 R CA 2.732 58.717 56.100 -0.191 0.000 0.947 134 R CB -0.194 30.102 30.300 -0.007 0.000 0.865 134 R HN 0.840 nan 8.270 nan 0.000 0.437 135 W N 0.003 121.322 121.300 0.032 0.000 2.467 135 W HA 0.065 4.725 4.660 -0.000 0.000 0.275 135 W C 1.342 177.874 176.519 0.021 0.000 1.239 135 W CA 0.665 58.023 57.345 0.021 0.000 1.266 135 W CB -0.290 29.180 29.460 0.017 0.000 1.112 135 W HN 0.086 nan 8.180 nan 0.000 0.576 136 E N 0.975 121.053 120.200 -0.205 0.000 2.112 136 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 136 E C 2.267 178.843 176.600 -0.040 0.000 0.979 136 E CA 1.350 57.713 56.400 -0.060 0.000 0.814 136 E CB -0.233 29.381 29.700 -0.142 0.000 0.762 136 E HN 0.193 nan 8.360 nan 0.000 0.460 137 V N 1.513 121.377 119.914 -0.082 0.000 2.358 137 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 137 V C 2.334 178.404 176.094 -0.039 0.000 1.047 137 V CA 1.810 64.075 62.300 -0.059 0.000 1.035 137 V CB -0.586 31.188 31.823 -0.081 0.000 0.658 137 V HN 0.283 nan 8.190 nan 0.000 0.452 138 A N 0.116 122.932 122.820 -0.007 0.000 1.877 138 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 138 A C 2.394 179.989 177.584 0.018 0.000 1.186 138 A CA 1.956 54.001 52.037 0.013 0.000 0.620 138 A CB -0.785 18.247 19.000 0.054 0.000 0.822 138 A HN 0.567 nan 8.150 nan 0.000 0.443 139 A N -0.994 121.852 122.820 0.043 0.000 2.070 139 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 139 A C 2.021 179.613 177.584 0.013 0.000 1.159 139 A CA 1.604 53.666 52.037 0.042 0.000 0.656 139 A CB -0.408 18.638 19.000 0.077 0.000 0.800 139 A HN 0.638 nan 8.150 nan 0.000 0.453 140 L N -0.841 120.378 121.223 -0.006 0.000 2.341 140 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 140 L C 2.216 179.053 176.870 -0.055 0.000 1.115 140 L CA 1.224 56.048 54.840 -0.028 0.000 0.820 140 L CB -0.473 41.565 42.059 -0.034 0.000 0.944 140 L HN 0.323 nan 8.230 nan 0.000 0.452 141 Q N 0.497 120.262 119.800 -0.059 0.000 2.082 141 Q HA -0.217 4.123 4.340 -0.000 0.000 0.211 141 Q C -0.111 175.846 176.000 -0.072 0.000 1.002 141 Q CA 2.548 58.304 55.803 -0.078 0.000 0.868 141 Q CB -2.129 26.572 28.738 -0.061 0.000 0.931 141 Q HN 0.421 nan 8.270 nan 0.000 0.414 142 P HA -0.173 nan 4.420 nan 0.000 0.217 142 P C 1.304 178.580 177.300 -0.040 0.000 1.148 142 P CA 1.446 64.525 63.100 -0.034 0.000 0.828 142 P CB -0.089 31.600 31.700 -0.017 0.000 0.783 143 Q N -0.509 119.262 119.800 -0.049 0.000 2.226 143 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 143 Q C 1.867 177.825 176.000 -0.071 0.000 0.975 143 Q CA 1.294 57.068 55.803 -0.048 0.000 0.866 143 Q CB -1.163 27.546 28.738 -0.049 0.000 0.915 143 Q HN 0.225 nan 8.270 nan 0.000 0.440 144 L N -0.691 120.455 121.223 -0.129 0.000 2.083 144 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 144 L C 2.582 179.434 176.870 -0.031 0.000 1.083 144 L CA 1.460 56.186 54.840 -0.190 0.000 0.752 144 L CB -0.341 41.574 42.059 -0.240 0.000 0.899 144 L HN 0.185 nan 8.230 nan 0.000 0.433 145 R N 0.333 120.815 120.500 -0.030 0.000 2.075 145 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 145 R C 2.322 178.622 176.300 -0.001 0.000 1.126 145 R CA 1.314 57.409 56.100 -0.008 0.000 0.963 145 R CB -0.134 30.157 30.300 -0.015 0.000 0.858 145 R HN 0.279 nan 8.270 nan 0.000 0.435 146 I N 0.385 120.953 120.570 -0.003 0.000 2.142 146 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 146 I C 2.006 178.131 176.117 0.014 0.000 1.078 146 I CA 1.606 62.906 61.300 0.001 0.000 1.343 146 I CB -0.384 37.616 38.000 -0.001 0.000 1.046 146 I HN 0.234 nan 8.210 nan 0.000 0.405 147 D N 0.956 121.386 120.400 0.050 0.000 2.123 147 D HA -0.254 4.386 4.640 -0.000 0.000 0.196 147 D C 2.188 178.534 176.300 0.076 0.000 0.992 147 D CA 1.489 55.555 54.000 0.111 0.000 0.833 147 D CB 0.026 40.965 40.800 0.233 0.000 0.954 147 D HN 0.100 nan 8.370 nan 0.000 0.455 148 K N -0.411 120.034 120.400 0.076 0.000 2.057 148 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 148 K C 2.048 178.519 176.600 -0.215 0.000 1.050 148 K CA 1.067 57.276 56.287 -0.130 0.000 0.935 148 K CB -0.175 32.324 32.500 -0.002 0.000 0.715 148 K HN 0.127 nan 8.250 nan 0.000 0.439 149 A N 0.659 123.419 122.820 -0.100 0.000 1.940 149 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 149 A C 2.208 179.736 177.584 -0.093 0.000 1.176 149 A CA 1.614 53.599 52.037 -0.086 0.000 0.631 149 A CB -0.617 18.359 19.000 -0.040 0.000 0.814 149 A HN 0.178 nan 8.150 nan 0.000 0.446 150 V N -0.296 119.570 119.914 -0.079 0.000 2.307 150 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 150 V C 3.074 179.106 176.094 -0.103 0.000 1.045 150 V CA 1.966 64.228 62.300 -0.063 0.000 1.024 150 V CB -1.208 30.598 31.823 -0.028 0.000 0.651 150 V HN 0.619 nan 8.190 nan 0.000 0.449 151 A N -0.227 122.481 122.820 -0.187 0.000 1.902 151 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 151 A C 2.033 179.445 177.584 -0.285 0.000 1.181 151 A CA 1.531 53.409 52.037 -0.266 0.000 0.623 151 A CB -0.576 18.076 19.000 -0.580 0.000 0.818 151 A HN 0.512 nan 8.150 nan 0.000 0.443 152 L N -0.189 120.820 121.223 -0.356 0.000 2.675 152 L HA -0.095 4.245 4.340 -0.000 0.000 0.238 152 L C 2.092 178.931 176.870 -0.052 0.000 1.155 152 L CA 0.354 54.993 54.840 -0.336 0.000 0.881 152 L CB -0.575 41.191 42.059 -0.489 0.000 1.008 152 L HN 0.555 nan 8.230 nan 0.000 0.443 153 Q N -0.123 119.650 119.800 -0.045 0.000 2.378 153 Q HA 0.012 4.352 4.340 -0.000 0.000 0.205 153 Q C 0.149 176.159 176.000 0.017 0.000 0.954 153 Q CA 0.361 56.167 55.803 0.005 0.000 0.901 153 Q CB 0.221 28.952 28.738 -0.013 0.000 0.981 153 Q HN 0.507 nan 8.270 nan 0.000 0.483 154 N N 1.332 120.038 118.700 0.009 0.000 2.420 154 N HA 0.100 4.840 4.740 -0.000 0.000 0.249 154 N C -2.139 173.408 175.510 0.061 0.000 1.033 154 N CA -1.288 51.773 53.050 0.018 0.000 0.944 154 N CB 1.447 39.940 38.487 0.009 0.000 1.113 154 N HN -0.066 nan 8.380 nan 0.000 0.502 155 P HA -0.130 nan 4.420 nan 0.000 0.218 155 P C 0.995 178.301 177.300 0.010 0.000 1.148 155 P CA 1.302 64.316 63.100 -0.144 0.000 0.822 155 P CB 0.492 31.768 31.700 -0.706 0.000 0.784 156 Q N -0.449 119.401 119.800 0.082 0.000 2.135 156 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 156 Q C 2.255 178.364 176.000 0.182 0.000 0.981 156 Q CA 1.957 57.894 55.803 0.224 0.000 0.856 156 Q CB -1.291 27.513 28.738 0.111 0.000 0.902 156 Q HN 0.205 nan 8.270 nan 0.000 0.425 157 A N 0.340 123.224 122.820 0.107 0.000 1.902 157 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 157 A C 1.807 179.424 177.584 0.054 0.000 1.181 157 A CA 1.490 53.561 52.037 0.057 0.000 0.623 157 A CB -0.742 18.216 19.000 -0.069 0.000 0.818 157 A HN 0.422 nan 8.150 nan 0.000 0.443 158 H N -0.662 118.409 119.070 0.001 0.000 2.290 158 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 158 H C 2.346 177.692 175.328 0.031 0.000 1.087 158 H CA 1.985 58.031 56.048 -0.004 0.000 1.291 158 H CB -0.405 29.332 29.762 -0.042 0.000 1.369 158 H HN 0.298 nan 8.280 nan 0.000 0.492 159 V N 1.437 121.471 119.914 0.199 0.000 2.295 159 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 159 V C 2.648 178.818 176.094 0.127 0.000 1.049 159 V CA 1.293 63.669 62.300 0.128 0.000 1.024 159 V CB -0.382 31.526 31.823 0.141 0.000 0.648 159 V HN 0.292 nan 8.190 nan 0.000 0.447 160 I N -0.209 120.478 120.570 0.196 0.000 2.315 160 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 160 I C 2.558 178.861 176.117 0.309 0.000 1.117 160 I CA 1.246 62.687 61.300 0.235 0.000 1.404 160 I CB -1.301 36.883 38.000 0.306 0.000 1.071 160 I HN 0.361 nan 8.210 nan 0.000 0.419 161 E N 0.895 121.219 120.200 0.207 0.000 2.072 161 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 161 E C 1.894 178.595 176.600 0.168 0.000 0.985 161 E CA 0.841 57.346 56.400 0.175 0.000 0.801 161 E CB -0.407 29.358 29.700 0.108 0.000 0.750 161 E HN 0.469 nan 8.360 nan 0.000 0.452 162 N N 0.922 119.694 118.700 0.120 0.000 2.244 162 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 162 N C 1.914 177.455 175.510 0.052 0.000 1.016 162 N CA 0.388 53.484 53.050 0.077 0.000 0.866 162 N CB -0.316 38.200 38.487 0.048 0.000 0.980 162 N HN 0.094 nan 8.380 nan 0.000 0.430 163 L N 0.790 122.039 121.223 0.042 0.000 2.017 163 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 163 L C 1.788 178.631 176.870 -0.045 0.000 1.073 163 L CA 1.885 56.690 54.840 -0.059 0.000 0.745 163 L CB -0.673 41.294 42.059 -0.155 0.000 0.894 163 L HN 0.177 nan 8.230 nan 0.000 0.432 164 H N -0.895 118.232 119.070 0.096 0.000 2.389 164 H HA 0.021 4.577 4.556 -0.000 0.000 0.299 164 H C 2.163 177.580 175.328 0.148 0.000 1.081 164 H CA 1.395 57.555 56.048 0.186 0.000 1.345 164 H CB -0.326 29.553 29.762 0.194 0.000 1.393 164 H HN 0.494 nan 8.280 nan 0.000 0.520 165 A N 0.599 123.536 122.820 0.195 0.000 1.969 165 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 165 A C 2.440 180.062 177.584 0.063 0.000 1.169 165 A CA 1.454 53.565 52.037 0.122 0.000 0.635 165 A CB -0.816 18.239 19.000 0.091 0.000 0.810 165 A HN 0.467 nan 8.150 nan 0.000 0.445 166 A N -0.509 122.313 122.820 0.005 0.000 1.970 166 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 166 A C 2.390 179.867 177.584 -0.178 0.000 1.170 166 A CA 1.535 53.533 52.037 -0.065 0.000 0.645 166 A CB -0.692 18.253 19.000 -0.092 0.000 0.816 166 A HN 0.894 nan 8.150 nan 0.000 0.447 167 A N -1.554 121.106 122.820 -0.266 0.000 1.930 167 A HA 0.285 4.604 4.320 -0.000 0.000 0.215 167 A C 0.636 177.738 177.584 -0.802 0.000 1.176 167 A CA 0.579 52.223 52.037 -0.655 0.000 0.632 167 A CB -0.285 18.320 19.000 -0.658 0.000 0.819 167 A HN 0.450 nan 8.150 nan 0.000 0.445 168 Y N -1.488 118.739 120.300 -0.120 0.000 2.446 168 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 168 Y C 1.257 177.145 175.900 -0.020 0.000 1.055 168 Y CA -0.879 57.190 58.100 -0.052 0.000 1.101 168 Y CB 1.388 39.849 38.460 0.003 0.000 1.221 168 Y HN 0.016 nan 8.280 nan 0.000 0.460 169 R N 1.015 121.598 120.500 0.139 0.000 2.200 169 R HA 0.029 4.369 4.340 -0.000 0.000 0.208 169 R C -0.011 176.309 176.300 0.034 0.000 1.033 169 R CA 0.822 56.926 56.100 0.008 0.000 1.000 169 R CB -0.041 30.222 30.300 -0.062 0.000 0.906 169 R HN 0.784 nan 8.270 nan 0.000 0.462 170 N N -2.104 116.638 118.700 0.071 0.000 3.517 170 N HA 0.196 4.935 4.740 -0.000 0.000 0.329 170 N C 0.325 175.808 175.510 -0.045 0.000 1.569 170 N CA 0.022 53.081 53.050 0.016 0.000 0.852 170 N CB 0.075 38.564 38.487 0.003 0.000 1.955 170 N HN -0.112 nan 8.380 nan 0.000 0.555 171 A N 0.455 123.220 122.820 -0.092 0.000 4.529 171 A HA -0.340 3.980 4.320 -0.000 0.000 0.369 171 A C 1.749 179.166 177.584 -0.278 0.000 1.648 171 A CA 3.097 55.015 52.037 -0.198 0.000 0.786 171 A CB -2.177 16.679 19.000 -0.241 0.000 1.518 171 A HN 0.729 nan 8.150 nan 0.000 0.515 172 L N -0.292 120.669 121.223 -0.437 0.000 2.549 172 L HA -0.036 4.304 4.340 -0.000 0.000 0.230 172 L C 2.833 179.576 176.870 -0.212 0.000 1.162 172 L CA 0.941 55.449 54.840 -0.554 0.000 0.834 172 L CB -0.541 40.845 42.059 -1.122 0.000 0.947 172 L HN 0.735 nan 8.230 nan 0.000 0.452 173 A N -0.716 122.072 122.820 -0.053 0.000 2.016 173 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 173 A C 0.948 178.558 177.584 0.042 0.000 1.162 173 A CA 0.315 52.423 52.037 0.117 0.000 0.662 173 A CB -0.339 18.740 19.000 0.132 0.000 0.812 173 A HN 0.362 nan 8.150 nan 0.000 0.450 174 N N 1.024 119.700 118.700 -0.041 0.000 2.454 174 N HA 0.112 4.852 4.740 -0.000 0.000 0.254 174 N C 0.066 175.532 175.510 -0.072 0.000 1.228 174 N CA 0.332 53.352 53.050 -0.050 0.000 0.900 174 N CB 0.561 39.000 38.487 -0.080 0.000 1.089 174 N HN 0.252 nan 8.380 nan 0.000 0.449 175 S N 1.002 116.676 115.700 -0.043 0.000 2.617 175 S HA 0.258 4.728 4.470 -0.000 0.000 0.269 175 S C 1.538 176.047 174.600 -0.150 0.000 1.292 175 S CA -0.681 57.488 58.200 -0.052 0.000 1.010 175 S CB 0.409 63.623 63.200 0.023 0.000 0.944 175 S HN 0.462 nan 8.310 nan 0.000 0.536 176 L N 2.092 123.168 121.223 -0.246 0.000 2.395 176 L HA 0.128 4.468 4.340 -0.000 0.000 0.218 176 L C -0.417 175.950 176.870 -0.838 0.000 1.130 176 L CA 0.496 55.023 54.840 -0.522 0.000 0.826 176 L CB -0.189 41.476 42.059 -0.657 0.000 0.941 176 L HN 0.614 nan 8.230 nan 0.000 0.451 177 Y N -1.768 118.367 120.300 -0.275 0.000 2.409 177 Y HA 0.240 4.790 4.550 -0.000 0.000 0.339 177 Y C 0.387 176.260 175.900 -0.046 0.000 1.033 177 Y CA -1.284 56.619 58.100 -0.329 0.000 1.094 177 Y CB 1.126 39.430 38.460 -0.260 0.000 1.210 177 Y HN -0.191 nan 8.280 nan 0.000 0.456 178 C N 5.734 125.248 119.300 0.356 0.000 2.634 178 C HA 0.216 4.676 4.460 -0.000 0.000 0.418 178 C C -2.098 172.924 174.990 0.054 0.000 1.373 178 C CA -1.384 57.719 59.018 0.143 0.000 1.756 178 C CB -0.623 27.169 27.740 0.086 0.000 2.589 178 C HN 0.546 nan 8.230 nan 0.000 0.602 179 P HA 0.119 nan 4.420 nan 0.000 0.269 179 P C 0.371 177.629 177.300 -0.070 0.000 1.209 179 P CA 0.220 63.306 63.100 -0.023 0.000 0.776 179 P CB 0.545 32.228 31.700 -0.028 0.000 0.876 180 D N 0.968 121.385 120.400 0.028 0.000 2.123 180 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 180 D C 1.661 177.970 176.300 0.015 0.000 0.992 180 D CA 1.773 55.788 54.000 0.025 0.000 0.833 180 D CB -0.769 40.069 40.800 0.063 0.000 0.954 180 D HN 0.608 nan 8.370 nan 0.000 0.455 181 Y N -0.058 120.246 120.300 0.007 0.000 2.497 181 Y HA 0.049 4.599 4.550 -0.000 0.000 0.292 181 Y C 1.742 177.640 175.900 -0.002 0.000 1.137 181 Y CA 0.727 58.828 58.100 0.002 0.000 1.285 181 Y CB -0.080 38.382 38.460 0.004 0.000 0.991 181 Y HN -0.216 nan 8.280 nan 0.000 0.556 182 R N 1.043 121.137 120.500 -0.677 0.000 2.254 182 R HA 0.245 4.585 4.340 -0.000 0.000 0.195 182 R C 0.245 176.398 176.300 -0.246 0.000 0.957 182 R CA -0.002 55.775 56.100 -0.539 0.000 1.024 182 R CB -0.122 29.790 30.300 -0.647 0.000 0.952 182 R HN 0.387 nan 8.270 nan 0.000 0.484 183 I N 1.243 121.709 120.570 -0.173 0.000 2.664 183 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 183 I C 1.227 177.296 176.117 -0.080 0.000 1.154 183 I CA 1.074 62.307 61.300 -0.112 0.000 1.402 183 I CB 0.384 38.341 38.000 -0.073 0.000 1.395 183 I HN 0.427 nan 8.210 nan 0.000 0.545 184 G N 5.262 114.013 108.800 -0.082 0.000 2.194 184 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 184 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 184 G C 0.894 175.763 174.900 -0.051 0.000 0.987 184 G CA -0.276 44.792 45.100 -0.054 0.000 0.635 184 G HN 0.560 nan 8.290 nan 0.000 0.520 185 K N 0.064 120.420 120.400 -0.074 0.000 2.373 185 K HA 0.359 4.679 4.320 -0.000 0.000 0.200 185 K C 0.916 177.467 176.600 -0.081 0.000 1.054 185 K CA 0.188 56.438 56.287 -0.062 0.000 1.065 185 K CB 1.197 33.664 32.500 -0.054 0.000 0.886 185 K HN 0.350 nan 8.250 nan 0.000 0.546 186 V N 4.035 123.881 119.914 -0.114 0.000 2.446 186 V HA 0.014 4.134 4.120 -0.000 0.000 0.276 186 V C 0.858 176.879 176.094 -0.122 0.000 1.030 186 V CA -0.093 62.127 62.300 -0.135 0.000 1.033 186 V CB 0.202 31.917 31.823 -0.180 0.000 0.993 186 V HN 0.316 nan 8.190 nan 0.000 0.477 187 T N 3.377 117.868 114.554 -0.104 0.000 2.902 187 T HA 0.388 4.738 4.350 -0.000 0.000 0.280 187 T C -1.805 172.822 174.700 -0.122 0.000 0.992 187 T CA -2.005 60.045 62.100 -0.083 0.000 1.015 187 T CB 1.809 70.653 68.868 -0.039 0.000 1.044 187 T HN 0.350 nan 8.240 nan 0.000 0.520 188 P HA -0.046 nan 4.420 nan 0.000 0.216 188 P C 1.759 179.066 177.300 0.011 0.000 1.153 188 P CA 0.428 63.487 63.100 -0.069 0.000 0.848 188 P CB -0.107 31.618 31.700 0.041 0.000 0.787 189 V N 0.178 120.128 119.914 0.060 0.000 2.343 189 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 189 V C 2.206 178.325 176.094 0.042 0.000 1.051 189 V CA 1.865 64.221 62.300 0.093 0.000 1.036 189 V CB -1.103 30.749 31.823 0.048 0.000 0.654 189 V HN 0.213 nan 8.190 nan 0.000 0.451 190 E N -0.164 120.018 120.200 -0.030 0.000 2.106 190 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 190 E C 2.226 178.769 176.600 -0.095 0.000 0.984 190 E CA 1.138 57.516 56.400 -0.037 0.000 0.806 190 E CB -0.178 29.484 29.700 -0.063 0.000 0.750 190 E HN 0.505 nan 8.360 nan 0.000 0.458 191 L N 0.493 121.534 121.223 -0.304 0.000 2.056 191 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 191 L C 2.576 179.188 176.870 -0.429 0.000 1.078 191 L CA 0.991 55.447 54.840 -0.640 0.000 0.749 191 L CB -0.485 40.712 42.059 -1.436 0.000 0.901 191 L HN 0.231 nan 8.230 nan 0.000 0.433 192 H N 0.002 118.984 119.070 -0.148 0.000 2.321 192 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 192 H C 1.887 177.233 175.328 0.030 0.000 1.087 192 H CA 1.721 57.822 56.048 0.088 0.000 1.319 192 H CB -0.092 29.732 29.762 0.103 0.000 1.379 192 H HN 0.337 nan 8.280 nan 0.000 0.501 193 D N -0.041 120.445 120.400 0.143 0.000 2.117 193 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 193 D C 2.110 178.454 176.300 0.073 0.000 0.987 193 D CA 0.788 54.837 54.000 0.081 0.000 0.829 193 D CB -0.651 40.191 40.800 0.071 0.000 0.961 193 D HN 0.354 nan 8.370 nan 0.000 0.460 194 Y N 1.085 121.387 120.300 0.003 0.000 2.145 194 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 194 Y C 2.318 178.261 175.900 0.073 0.000 1.145 194 Y CA 1.122 59.286 58.100 0.107 0.000 1.148 194 Y CB -0.149 38.328 38.460 0.029 0.000 0.981 194 Y HN -0.204 nan 8.280 nan 0.000 0.507 195 V N 0.122 120.035 119.914 -0.002 0.000 2.358 195 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 195 V C 2.080 178.098 176.094 -0.125 0.000 1.047 195 V CA 2.256 64.345 62.300 -0.353 0.000 1.035 195 V CB -0.624 30.978 31.823 -0.368 0.000 0.658 195 V HN 0.441 nan 8.190 nan 0.000 0.452 196 Q N -0.190 119.586 119.800 -0.042 0.000 2.119 196 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 196 Q C 2.046 177.979 176.000 -0.113 0.000 0.972 196 Q CA 1.459 57.241 55.803 -0.035 0.000 0.847 196 Q CB -0.151 28.583 28.738 -0.007 0.000 0.903 196 Q HN 0.610 nan 8.270 nan 0.000 0.433 197 N N -0.764 117.786 118.700 -0.249 0.000 2.416 197 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 197 N C 0.716 175.800 175.510 -0.711 0.000 1.036 197 N CA 1.035 53.778 53.050 -0.512 0.000 0.901 197 N CB 0.227 38.269 38.487 -0.741 0.000 0.976 197 N HN 0.444 nan 8.380 nan 0.000 0.444 198 H N -2.048 116.952 119.070 -0.117 0.000 2.927 198 H HA 0.268 4.824 4.556 -0.000 0.000 0.255 198 H C -0.263 175.167 175.328 0.171 0.000 0.974 198 H CA -0.250 55.755 56.048 -0.072 0.000 1.199 198 H CB 0.165 29.791 29.762 -0.227 0.000 1.447 198 H HN -0.044 nan 8.280 nan 0.000 0.467 199 F N 3.527 123.486 119.950 0.015 0.000 2.659 199 F HA 0.208 4.735 4.527 -0.000 0.000 0.360 199 F C 0.779 176.571 175.800 -0.012 0.000 1.218 199 F CA -0.616 57.396 58.000 0.020 0.000 1.317 199 F CB -0.841 38.179 39.000 0.034 0.000 1.697 199 F HN 0.008 nan 8.300 nan 0.000 0.637 200 T N -3.732 110.886 114.554 0.106 0.000 2.932 200 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 200 T C 1.342 176.052 174.700 0.017 0.000 1.039 200 T CA -0.620 61.506 62.100 0.044 0.000 1.024 200 T CB 1.797 70.666 68.868 0.002 0.000 1.090 200 T HN 0.055 nan 8.240 nan 0.000 0.496 201 S N 1.034 116.741 115.700 0.011 0.000 2.372 201 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 201 S C 2.299 176.897 174.600 -0.004 0.000 1.044 201 S CA 1.683 59.883 58.200 0.001 0.000 1.050 201 S CB -0.960 62.239 63.200 -0.002 0.000 0.901 201 S HN 0.980 nan 8.310 nan 0.000 0.447 202 A N 0.573 123.390 122.820 -0.005 0.000 2.239 202 A HA 0.049 4.369 4.320 -0.000 0.000 0.209 202 A C 1.687 179.269 177.584 -0.003 0.000 1.171 202 A CA 0.620 52.656 52.037 -0.002 0.000 0.768 202 A CB -0.179 18.820 19.000 -0.002 0.000 0.790 202 A HN 0.454 nan 8.150 nan 0.000 0.478 203 R N -1.371 119.123 120.500 -0.010 0.000 2.577 203 R HA 0.434 4.774 4.340 -0.000 0.000 0.344 203 R C -0.532 175.760 176.300 -0.013 0.000 1.037 203 R CA -0.008 56.082 56.100 -0.017 0.000 1.102 203 R CB 0.348 30.622 30.300 -0.043 0.000 1.313 203 R HN 0.432 nan 8.270 nan 0.000 0.561 204 M N -0.103 119.493 119.600 -0.007 0.000 2.644 204 M HA 0.641 5.121 4.480 -0.000 0.000 0.304 204 M C -1.175 175.130 176.300 0.008 0.000 1.215 204 M CA -0.995 54.304 55.300 -0.002 0.000 0.871 204 M CB 2.621 35.207 32.600 -0.024 0.000 1.740 204 M HN -0.042 nan 8.290 nan 0.000 0.464 205 A N 2.072 124.917 122.820 0.042 0.000 2.408 205 A HA 0.746 5.066 4.320 -0.000 0.000 0.295 205 A C -1.921 175.701 177.584 0.062 0.000 1.040 205 A CA -0.555 51.484 52.037 0.004 0.000 0.707 205 A CB 1.311 20.285 19.000 -0.043 0.000 1.235 205 A HN 0.722 nan 8.150 nan 0.000 0.418 206 L N 4.736 125.956 121.223 -0.005 0.000 2.262 206 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 206 L C -1.004 175.865 176.870 -0.002 0.000 1.035 206 L CA -0.377 54.478 54.840 0.025 0.000 0.820 206 L CB 0.547 42.595 42.059 -0.019 0.000 1.204 206 L HN 0.538 nan 8.230 nan 0.000 0.424 207 I N 4.322 124.938 120.570 0.076 0.000 2.412 207 I HA 0.713 4.883 4.170 -0.000 0.000 0.296 207 I C 0.626 176.794 176.117 0.086 0.000 0.987 207 I CA -0.564 60.758 61.300 0.036 0.000 1.180 207 I CB 1.140 39.134 38.000 -0.011 0.000 1.340 207 I HN 0.669 nan 8.210 nan 0.000 0.455 208 G N 5.154 113.998 108.800 0.073 0.000 2.620 208 G HA2 0.660 4.620 3.960 -0.000 0.000 0.301 208 G HA3 0.660 4.620 3.960 -0.000 0.000 0.301 208 G C -2.064 172.906 174.900 0.118 0.000 1.347 208 G CA -0.427 44.724 45.100 0.085 0.000 0.971 208 G HN 0.404 nan 8.290 nan 0.000 0.488 209 L N 1.418 122.699 121.223 0.096 0.000 2.409 209 L HA 0.711 5.051 4.340 -0.000 0.000 0.272 209 L C 0.802 177.665 176.870 -0.012 0.000 0.980 209 L CA 0.796 55.670 54.840 0.057 0.000 0.826 209 L CB 1.739 43.853 42.059 0.092 0.000 1.268 209 L HN 1.613 nan 8.230 nan 0.000 0.407 210 G N 3.208 111.964 108.800 -0.074 0.000 2.176 210 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.252 210 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.252 210 G C -0.392 174.470 174.900 -0.063 0.000 1.024 210 G CA 0.432 45.477 45.100 -0.091 0.000 0.755 210 G HN 1.033 nan 8.290 nan 0.000 0.507 211 V N -0.239 119.643 119.914 -0.054 0.000 2.925 211 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 211 V C 0.481 176.555 176.094 -0.032 0.000 1.104 211 V CA 0.180 62.462 62.300 -0.031 0.000 0.954 211 V CB 2.153 33.971 31.823 -0.009 0.000 1.022 211 V HN 1.453 nan 8.190 nan 0.000 0.427 212 S N 3.369 119.057 115.700 -0.021 0.000 2.565 212 S HA 0.240 4.710 4.470 -0.000 0.000 0.274 212 S C 0.907 175.524 174.600 0.028 0.000 1.309 212 S CA 0.585 58.786 58.200 0.002 0.000 1.043 212 S CB 0.894 64.098 63.200 0.007 0.000 0.939 212 S HN 1.007 nan 8.310 nan 0.000 0.504 213 H N 3.716 122.766 119.070 -0.033 0.000 2.387 213 H HA 0.075 4.631 4.556 -0.000 0.000 0.299 213 H C -1.285 174.032 175.328 -0.020 0.000 1.099 213 H CA 2.172 58.203 56.048 -0.028 0.000 1.315 213 H CB -1.092 28.656 29.762 -0.024 0.000 1.380 213 H HN 0.551 nan 8.280 nan 0.000 0.513 214 P HA -0.181 nan 4.420 nan 0.000 0.215 214 P C 1.820 179.085 177.300 -0.058 0.000 1.153 214 P CA 2.106 65.195 63.100 -0.018 0.000 0.853 214 P CB -0.153 31.561 31.700 0.023 0.000 0.788 215 V N -2.896 116.993 119.914 -0.041 0.000 2.343 215 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 215 V C 2.156 178.216 176.094 -0.057 0.000 1.051 215 V CA 1.706 63.985 62.300 -0.034 0.000 1.036 215 V CB -1.857 29.956 31.823 -0.016 0.000 0.654 215 V HN 0.011 nan 8.190 nan 0.000 0.451 216 L N 0.062 121.223 121.223 -0.103 0.000 2.083 216 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 216 L C 2.870 179.643 176.870 -0.163 0.000 1.083 216 L CA 2.365 57.131 54.840 -0.123 0.000 0.752 216 L CB -0.579 41.385 42.059 -0.158 0.000 0.899 216 L HN 0.422 nan 8.230 nan 0.000 0.433 217 K N 0.072 120.322 120.400 -0.251 0.000 2.057 217 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 217 K C 2.160 178.695 176.600 -0.109 0.000 1.050 217 K CA 1.461 57.616 56.287 -0.219 0.000 0.935 217 K CB 0.015 32.373 32.500 -0.236 0.000 0.715 217 K HN 0.218 nan 8.250 nan 0.000 0.439 218 Q N 0.122 119.876 119.800 -0.077 0.000 2.050 218 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 218 Q C 1.979 177.969 176.000 -0.016 0.000 0.980 218 Q CA 1.654 57.430 55.803 -0.045 0.000 0.840 218 Q CB 0.090 28.814 28.738 -0.023 0.000 0.898 218 Q HN 0.177 nan 8.270 nan 0.000 0.424 219 V N 0.725 120.658 119.914 0.033 0.000 2.287 219 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 219 V C 2.268 178.437 176.094 0.126 0.000 1.053 219 V CA 1.952 64.343 62.300 0.152 0.000 1.027 219 V CB -0.967 30.918 31.823 0.102 0.000 0.646 219 V HN 0.547 nan 8.190 nan 0.000 0.447 220 A N -0.827 122.006 122.820 0.022 0.000 1.902 220 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 220 A C 2.159 179.726 177.584 -0.027 0.000 1.181 220 A CA 1.909 53.946 52.037 0.000 0.000 0.623 220 A CB -0.488 18.485 19.000 -0.046 0.000 0.818 220 A HN 0.616 nan 8.150 nan 0.000 0.443 221 E N -0.450 119.714 120.200 -0.060 0.000 2.077 221 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 221 E C 2.279 178.791 176.600 -0.147 0.000 0.989 221 E CA 1.441 57.789 56.400 -0.086 0.000 0.800 221 E CB -0.089 29.560 29.700 -0.084 0.000 0.746 221 E HN 0.718 nan 8.360 nan 0.000 0.452 222 Q N -1.189 118.467 119.800 -0.240 0.000 2.302 222 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 222 Q C 1.020 176.576 176.000 -0.740 0.000 0.936 222 Q CA 0.730 56.209 55.803 -0.541 0.000 0.886 222 Q CB 0.397 28.655 28.738 -0.801 0.000 0.986 222 Q HN 0.305 nan 8.270 nan 0.000 0.487 223 F N -1.091 118.839 119.950 -0.034 0.000 2.784 223 F HA 0.235 4.762 4.527 -0.000 0.000 0.323 223 F C 1.107 176.891 175.800 -0.027 0.000 1.085 223 F CA 0.023 58.004 58.000 -0.031 0.000 1.196 223 F CB 0.768 39.746 39.000 -0.036 0.000 1.053 223 F HN -0.148 nan 8.300 nan 0.000 0.578 224 L N 0.416 121.699 121.223 0.100 0.000 3.062 224 L HA 0.283 4.623 4.340 -0.000 0.000 0.255 224 L C 0.178 177.058 176.870 0.017 0.000 1.274 224 L CA -0.061 54.813 54.840 0.057 0.000 1.047 224 L CB -0.153 41.931 42.059 0.041 0.000 1.402 224 L HN -0.031 nan 8.230 nan 0.000 0.550 225 N N 2.099 120.799 118.700 0.000 0.000 2.767 225 N HA 0.394 5.134 4.740 -0.000 0.000 0.238 225 N C -0.994 174.515 175.510 -0.002 0.000 1.083 225 N CA -0.019 53.022 53.050 -0.014 0.000 0.964 225 N CB 0.400 38.864 38.487 -0.038 0.000 1.252 225 N HN 0.190 nan 8.380 nan 0.000 0.512 226 I N 2.571 123.146 120.570 0.008 0.000 2.499 226 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 226 I C 0.128 176.248 176.117 0.006 0.000 1.048 226 I CA -0.884 60.424 61.300 0.013 0.000 1.062 226 I CB 1.863 39.884 38.000 0.035 0.000 1.238 226 I HN -0.053 nan 8.210 nan 0.000 0.426 227 R N 3.633 124.132 120.500 -0.002 0.000 2.474 227 R HA 0.715 5.055 4.340 -0.000 0.000 0.295 227 R C -0.076 176.214 176.300 -0.016 0.000 0.980 227 R CA -0.650 55.444 56.100 -0.010 0.000 0.934 227 R CB 2.004 32.296 30.300 -0.013 0.000 1.101 227 R HN 0.859 nan 8.270 nan 0.000 0.469 228 G N -0.220 108.562 108.800 -0.030 0.000 2.498 228 G HA2 0.470 4.430 3.960 -0.000 0.000 0.312 228 G HA3 0.470 4.430 3.960 -0.000 0.000 0.312 228 G C 0.422 175.280 174.900 -0.071 0.000 1.230 228 G CA -0.401 44.668 45.100 -0.052 0.000 0.968 228 G HN 0.508 nan 8.290 nan 0.000 0.481 229 G N -0.298 108.447 108.800 -0.091 0.000 2.645 229 G HA2 0.141 4.101 3.960 -0.000 0.000 0.179 229 G HA3 0.141 4.101 3.960 -0.000 0.000 0.179 229 G C 0.223 175.061 174.900 -0.103 0.000 1.515 229 G CA 0.499 45.545 45.100 -0.091 0.000 0.852 229 G HN 0.494 nan 8.290 nan 0.000 0.481 230 L N 1.458 122.601 121.223 -0.134 0.000 2.959 230 L HA 0.671 5.011 4.340 -0.000 0.000 0.236 230 L C 0.650 177.419 176.870 -0.169 0.000 1.296 230 L CA 0.211 54.984 54.840 -0.112 0.000 1.047 230 L CB 0.359 42.379 42.059 -0.065 0.000 1.395 230 L HN 0.727 nan 8.230 nan 0.000 0.492 231 G N -0.353 108.311 108.800 -0.228 0.000 0.000 231 G HA2 0.566 4.526 3.960 -0.000 0.000 0.000 231 G HA3 0.566 4.526 3.960 -0.000 0.000 0.000 231 G C -1.511 nan 174.900 nan 0.000 0.000 231 G CA -0.506 44.430 45.100 -0.273 0.000 0.000 231 G HN -0.120 nan 8.290 nan 0.000 0.000 232 L N 0.194 121.477 121.223 0.100 0.000 0.000 232 L HA 0.281 4.621 4.340 -0.000 0.000 0.000 232 L C 0.565 177.535 176.870 0.168 0.000 0.000 232 L CA -0.357 54.542 54.840 0.099 0.000 0.000 232 L CB 0.621 42.715 42.059 0.059 0.000 0.000 232 L HN 0.379 nan 8.230 nan 0.000 0.000 233 S N 0.420 116.264 115.700 0.241 0.000 3.149 233 S HA 0.638 5.108 4.470 -0.000 0.000 0.228 233 S C 1.185 176.014 174.600 0.381 0.000 1.393 233 S CA 0.588 59.063 58.200 0.458 0.000 1.224 233 S CB 0.253 63.744 63.200 0.485 0.000 1.112 233 S HN 0.702 nan 8.310 nan 0.000 0.502 234 G N 0.457 109.454 108.800 0.328 0.000 4.180 234 G HA2 0.235 4.195 3.960 -0.000 0.000 0.166 234 G HA3 0.235 4.195 3.960 -0.000 0.000 0.166 234 G C 0.234 175.224 174.900 0.149 0.000 0.816 234 G CA -0.007 45.239 45.100 0.243 0.000 0.880 234 G HN 0.679 nan 8.290 nan 0.000 0.399 235 A N 1.833 124.717 122.820 0.107 0.000 2.608 235 A HA 0.334 4.654 4.320 -0.000 0.000 0.246 235 A C 0.643 178.242 177.584 0.026 0.000 0.998 235 A CA 0.643 52.712 52.037 0.054 0.000 0.796 235 A CB 0.091 19.113 19.000 0.037 0.000 0.895 235 A HN 0.175 nan 8.150 nan 0.000 0.508 236 K N 1.252 121.673 120.400 0.035 0.000 2.382 236 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 236 K C 0.573 177.180 176.600 0.012 0.000 1.009 236 K CA 0.594 56.899 56.287 0.031 0.000 0.970 236 K CB 0.888 33.420 32.500 0.054 0.000 0.934 236 K HN 0.814 nan 8.250 nan 0.000 0.479 237 A N 4.020 126.828 122.820 -0.019 0.000 2.409 237 A HA 0.156 4.476 4.320 -0.000 0.000 0.262 237 A C -0.145 177.524 177.584 0.141 0.000 1.113 237 A CA -0.178 51.828 52.037 -0.050 0.000 0.790 237 A CB 0.222 19.048 19.000 -0.290 0.000 1.046 237 A HN 0.380 nan 8.150 nan 0.000 0.496 238 K N 2.853 123.378 120.400 0.208 0.000 2.334 238 K HA 0.159 4.479 4.320 -0.000 0.000 0.265 238 K C -0.982 175.845 176.600 0.379 0.000 1.039 238 K CA -0.247 56.191 56.287 0.251 0.000 0.920 238 K CB 0.965 33.547 32.500 0.137 0.000 1.160 238 K HN 0.711 nan 8.250 nan 0.000 0.451 239 Y N 2.682 123.148 120.300 0.276 0.000 2.511 239 Y HA -0.107 4.443 4.550 -0.000 0.000 0.332 239 Y C 1.560 177.518 175.900 0.098 0.000 1.177 239 Y CA 1.037 59.185 58.100 0.079 0.000 1.422 239 Y CB 0.454 38.915 38.460 0.002 0.000 1.271 239 Y HN 0.713 nan 8.280 nan 0.000 0.550 240 H N 3.325 122.012 119.070 -0.639 0.000 2.179 240 H HA 0.351 4.907 4.556 -0.000 0.000 0.246 240 H C 0.431 175.477 175.328 -0.470 0.000 0.904 240 H CA 0.574 56.403 56.048 -0.364 0.000 1.113 240 H CB 0.855 30.473 29.762 -0.241 0.000 1.396 240 H HN 0.891 nan 8.280 nan 0.000 0.484 241 G N -0.048 108.184 108.800 -0.947 0.000 2.712 241 G HA2 0.305 4.265 3.960 -0.000 0.000 0.686 241 G HA3 0.305 4.265 3.960 -0.000 0.000 0.686 241 G C -0.136 174.381 174.900 -0.640 0.000 1.181 241 G CA -0.343 44.342 45.100 -0.692 0.000 0.762 241 G HN 1.014 nan 8.290 nan 0.000 0.641 242 G N 0.181 108.755 108.800 -0.375 0.000 2.327 242 G HA2 0.812 4.772 3.960 -0.000 0.000 0.291 242 G HA3 0.812 4.772 3.960 -0.000 0.000 0.291 242 G C -0.933 173.871 174.900 -0.161 0.000 1.290 242 G CA 0.741 45.683 45.100 -0.263 0.000 0.857 242 G HN 2.116 nan 8.290 nan 0.000 0.520 243 E N -1.151 118.992 120.200 -0.095 0.000 2.343 243 E HA 0.667 5.017 4.350 -0.000 0.000 0.278 243 E C -1.649 174.925 176.600 -0.043 0.000 0.910 243 E CA -1.005 55.350 56.400 -0.076 0.000 0.757 243 E CB 2.480 32.146 29.700 -0.056 0.000 1.218 243 E HN 0.520 nan 8.360 nan 0.000 0.435 244 I N 2.186 122.722 120.570 -0.057 0.000 2.447 244 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 244 I C -0.519 175.561 176.117 -0.061 0.000 1.023 244 I CA -0.827 60.452 61.300 -0.035 0.000 1.083 244 I CB 1.810 39.800 38.000 -0.017 0.000 1.245 244 I HN 0.378 nan 8.210 nan 0.000 0.434 245 R N 4.787 125.255 120.500 -0.055 0.000 2.393 245 R HA 0.354 4.694 4.340 -0.000 0.000 0.315 245 R C -0.617 175.649 176.300 -0.057 0.000 0.952 245 R CA -0.613 55.433 56.100 -0.090 0.000 0.842 245 R CB 2.076 32.296 30.300 -0.135 0.000 1.163 245 R HN 0.517 nan 8.270 nan 0.000 0.450 246 E N 3.249 123.411 120.200 -0.064 0.000 2.101 246 E HA 0.050 4.400 4.350 -0.000 0.000 0.260 246 E C -1.055 175.503 176.600 -0.071 0.000 0.897 246 E CA -0.743 55.625 56.400 -0.052 0.000 0.744 246 E CB 1.066 30.739 29.700 -0.045 0.000 1.140 246 E HN 0.304 nan 8.360 nan 0.000 0.419 247 Q N 3.343 123.109 119.800 -0.057 0.000 2.293 247 Q HA 0.111 4.451 4.340 -0.000 0.000 0.263 247 Q C -0.403 175.561 176.000 -0.060 0.000 1.002 247 Q CA 0.411 56.180 55.803 -0.057 0.000 0.910 247 Q CB 0.556 29.271 28.738 -0.039 0.000 1.185 247 Q HN 0.657 nan 8.270 nan 0.000 0.401 248 N N 2.215 120.872 118.700 -0.071 0.000 2.081 248 N HA 0.159 4.899 4.740 -0.000 0.000 0.230 248 N C 0.530 176.003 175.510 -0.061 0.000 1.351 248 N CA 0.139 53.145 53.050 -0.074 0.000 0.840 248 N CB 0.294 38.712 38.487 -0.116 0.000 1.189 248 N HN 0.714 nan 8.380 nan 0.000 0.503 249 G N 0.108 108.875 108.800 -0.054 0.000 2.187 249 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.261 249 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.261 249 G C -0.759 174.117 174.900 -0.039 0.000 1.000 249 G CA 0.568 45.641 45.100 -0.045 0.000 0.718 249 G HN 0.488 nan 8.290 nan 0.000 0.519 250 D N 0.129 120.504 120.400 -0.041 0.000 2.382 250 D HA 0.391 5.031 4.640 -0.000 0.000 0.245 250 D C 1.910 178.205 176.300 -0.009 0.000 1.120 250 D CA 0.470 54.455 54.000 -0.025 0.000 0.890 250 D CB 1.075 41.859 40.800 -0.027 0.000 1.201 250 D HN 0.308 nan 8.370 nan 0.000 0.433 251 S N 1.534 117.235 115.700 0.001 0.000 2.402 251 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 251 S C 0.952 175.565 174.600 0.022 0.000 1.030 251 S CA 0.760 58.964 58.200 0.007 0.000 1.003 251 S CB -0.203 63.005 63.200 0.013 0.000 0.813 251 S HN 0.403 nan 8.310 nan 0.000 0.477 252 L N 1.474 122.725 121.223 0.048 0.000 2.334 252 L HA 0.604 4.944 4.340 -0.000 0.000 0.276 252 L C -0.760 176.174 176.870 0.106 0.000 1.014 252 L CA -0.944 53.942 54.840 0.077 0.000 0.815 252 L CB 1.970 44.101 42.059 0.119 0.000 1.268 252 L HN -0.039 nan 8.230 nan 0.000 0.428 253 V N 1.929 121.883 119.914 0.067 0.000 2.427 253 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 253 V C -0.242 175.880 176.094 0.047 0.000 1.034 253 V CA -0.486 61.845 62.300 0.051 0.000 0.893 253 V CB 1.344 33.160 31.823 -0.012 0.000 0.982 253 V HN 0.592 nan 8.190 nan 0.000 0.452 254 H N 3.169 122.191 119.070 -0.081 0.000 2.459 254 H HA 0.769 5.325 4.556 -0.000 0.000 0.332 254 H C -0.185 174.961 175.328 -0.303 0.000 1.094 254 H CA -0.284 55.678 56.048 -0.144 0.000 1.224 254 H CB 2.124 31.872 29.762 -0.024 0.000 1.449 254 H HN 0.781 nan 8.280 nan 0.000 0.484 255 A N 2.090 124.643 122.820 -0.445 0.000 2.549 255 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 255 A C -1.449 175.745 177.584 -0.649 0.000 1.061 255 A CA -0.412 51.367 52.037 -0.430 0.000 0.690 255 A CB 1.761 20.612 19.000 -0.249 0.000 1.287 255 A HN 0.718 nan 8.150 nan 0.000 0.402 256 A N 0.691 123.204 122.820 -0.511 0.000 2.422 256 A HA 0.752 5.072 4.320 -0.000 0.000 0.302 256 A C -1.575 175.742 177.584 -0.444 0.000 1.041 256 A CA -0.396 51.343 52.037 -0.497 0.000 0.708 256 A CB 1.340 20.058 19.000 -0.469 0.000 1.257 256 A HN 1.897 nan 8.150 nan 0.000 0.414 257 L N 3.546 124.427 121.223 -0.570 0.000 2.376 257 L HA 0.809 5.149 4.340 -0.000 0.000 0.275 257 L C -0.541 176.151 176.870 -0.296 0.000 0.987 257 L CA -0.352 54.194 54.840 -0.490 0.000 0.828 257 L CB 1.811 43.459 42.059 -0.685 0.000 1.249 257 L HN 1.111 nan 8.230 nan 0.000 0.409 258 V N 1.836 121.703 119.914 -0.079 0.000 3.167 258 V HA 1.097 5.217 4.120 -0.000 0.000 0.310 258 V C -0.697 175.519 176.094 0.204 0.000 1.207 258 V CA -0.153 62.249 62.300 0.170 0.000 1.059 258 V CB 1.340 33.210 31.823 0.079 0.000 1.079 258 V HN 1.129 nan 8.190 nan 0.000 0.446 259 A N 0.143 123.138 122.820 0.291 0.000 2.566 259 A HA 0.765 5.085 4.320 -0.000 0.000 0.292 259 A C -0.620 176.924 177.584 -0.066 0.000 1.112 259 A CA -0.578 51.511 52.037 0.087 0.000 0.707 259 A CB 1.605 20.637 19.000 0.055 0.000 1.302 259 A HN 1.144 nan 8.150 nan 0.000 0.409 260 E N 0.452 120.321 120.200 -0.553 0.000 2.384 260 E HA 0.349 4.699 4.350 -0.000 0.000 0.266 260 E C 0.783 177.224 176.600 -0.265 0.000 1.012 260 E CA 0.475 56.532 56.400 -0.571 0.000 0.901 260 E CB 0.546 29.662 29.700 -0.974 0.000 0.967 260 E HN 0.722 nan 8.360 nan 0.000 0.435 261 S N 3.517 119.045 115.700 -0.287 0.000 3.200 261 S HA 0.715 5.185 4.470 -0.000 0.000 0.173 261 S C -0.013 174.392 174.600 -0.325 0.000 0.768 261 S CA -0.093 57.723 58.200 -0.640 0.000 1.018 261 S CB 0.322 62.720 63.200 -1.337 0.000 0.769 261 S HN 0.623 nan 8.310 nan 0.000 0.736 262 A N 0.086 122.737 122.820 -0.282 0.000 2.572 262 A HA 0.839 5.159 4.320 -0.000 0.000 0.295 262 A C -0.469 177.119 177.584 0.007 0.000 1.072 262 A CA -0.490 51.528 52.037 -0.031 0.000 0.691 262 A CB 0.874 19.937 19.000 0.104 0.000 1.291 262 A HN 1.324 nan 8.150 nan 0.000 0.404 263 A N 0.970 123.821 122.820 0.051 0.000 2.462 263 A HA 0.504 4.824 4.320 -0.000 0.000 0.243 263 A C 0.358 177.969 177.584 0.045 0.000 1.076 263 A CA -0.074 52.003 52.037 0.066 0.000 0.773 263 A CB -0.144 18.902 19.000 0.077 0.000 1.010 263 A HN 1.177 nan 8.150 nan 0.000 0.493 264 I N 1.589 122.181 120.570 0.036 0.000 2.710 264 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 264 I C 1.381 177.512 176.117 0.023 0.000 1.181 264 I CA 1.919 63.229 61.300 0.016 0.000 1.430 264 I CB 0.598 38.602 38.000 0.006 0.000 1.367 264 I HN 1.120 nan 8.210 nan 0.000 0.577 265 G N 3.901 112.705 108.800 0.006 0.000 2.232 265 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.226 265 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.226 265 G C 0.197 175.097 174.900 0.001 0.000 0.996 265 G CA 0.123 45.222 45.100 -0.000 0.000 0.626 265 G HN 0.913 nan 8.290 nan 0.000 0.509 266 S N 0.220 115.929 115.700 0.015 0.000 2.672 266 S HA 0.798 5.268 4.470 -0.000 0.000 0.276 266 S C 1.565 176.173 174.600 0.013 0.000 1.207 266 S CA 0.464 58.675 58.200 0.019 0.000 1.002 266 S CB 1.908 65.132 63.200 0.040 0.000 0.998 266 S HN 1.601 nan 8.310 nan 0.000 0.542 267 A N 0.366 123.189 122.820 0.006 0.000 1.969 267 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 267 A C 2.026 179.613 177.584 0.005 0.000 1.169 267 A CA 1.459 53.491 52.037 -0.008 0.000 0.635 267 A CB -1.037 17.953 19.000 -0.017 0.000 0.810 267 A HN 1.003 nan 8.150 nan 0.000 0.445 268 E N 0.024 120.246 120.200 0.036 0.000 2.204 268 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 268 E C 1.997 178.698 176.600 0.169 0.000 0.990 268 E CA 0.862 57.305 56.400 0.072 0.000 0.821 268 E CB -0.216 29.558 29.700 0.123 0.000 0.750 268 E HN 0.562 nan 8.360 nan 0.000 0.477 269 A N 1.247 124.151 122.820 0.140 0.000 1.933 269 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 269 A C 1.893 179.545 177.584 0.113 0.000 1.175 269 A CA 1.366 53.495 52.037 0.154 0.000 0.628 269 A CB -0.456 18.584 19.000 0.065 0.000 0.814 269 A HN 0.268 nan 8.150 nan 0.000 0.444 270 N N 0.493 119.215 118.700 0.036 0.000 2.188 270 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 270 N C 1.909 177.404 175.510 -0.025 0.000 1.018 270 N CA 1.386 54.431 53.050 -0.009 0.000 0.858 270 N CB -0.456 38.004 38.487 -0.045 0.000 0.989 270 N HN 0.480 nan 8.380 nan 0.000 0.426 271 A N 0.637 123.419 122.820 -0.063 0.000 1.902 271 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 271 A C 1.965 179.403 177.584 -0.243 0.000 1.181 271 A CA 0.967 52.897 52.037 -0.178 0.000 0.623 271 A CB -0.834 17.999 19.000 -0.278 0.000 0.818 271 A HN 0.145 nan 8.150 nan 0.000 0.443 272 F N 0.742 120.596 119.950 -0.161 0.000 2.186 272 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 272 F C 2.797 178.541 175.800 -0.094 0.000 1.090 272 F CA 1.600 59.430 58.000 -0.283 0.000 1.307 272 F CB -0.349 38.497 39.000 -0.256 0.000 1.019 272 F HN 0.138 nan 8.300 nan 0.000 0.489 273 S N -0.451 115.349 115.700 0.168 0.000 2.383 273 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 273 S C 2.285 177.022 174.600 0.228 0.000 1.026 273 S CA 1.126 59.448 58.200 0.203 0.000 0.981 273 S CB -0.445 62.822 63.200 0.112 0.000 0.818 273 S HN 0.133 nan 8.310 nan 0.000 0.472 274 V N 1.713 121.679 119.914 0.086 0.000 2.453 274 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 274 V C 2.184 178.339 176.094 0.101 0.000 1.048 274 V CA 1.213 63.553 62.300 0.067 0.000 1.049 274 V CB -0.541 31.270 31.823 -0.019 0.000 0.672 274 V HN 0.374 nan 8.190 nan 0.000 0.457 275 L N 0.317 121.551 121.223 0.018 0.000 2.083 275 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 275 L C 2.460 179.459 176.870 0.214 0.000 1.083 275 L CA 2.239 57.086 54.840 0.011 0.000 0.752 275 L CB -0.860 41.053 42.059 -0.244 0.000 0.899 275 L HN 0.439 nan 8.230 nan 0.000 0.433 276 Q N -1.209 118.799 119.800 0.347 0.000 2.096 276 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 276 Q C 1.902 177.981 176.000 0.132 0.000 0.982 276 Q CA 2.222 58.252 55.803 0.377 0.000 0.850 276 Q CB -0.195 28.751 28.738 0.347 0.000 0.901 276 Q HN 0.688 nan 8.270 nan 0.000 0.422 277 H N -1.117 118.040 119.070 0.144 0.000 2.547 277 H HA 0.031 4.587 4.556 -0.000 0.000 0.272 277 H C 1.780 177.163 175.328 0.092 0.000 0.989 277 H CA 0.859 56.977 56.048 0.116 0.000 1.214 277 H CB 0.411 30.231 29.762 0.097 0.000 1.389 277 H HN 0.063 nan 8.280 nan 0.000 0.577 278 V N 0.229 120.246 119.914 0.172 0.000 2.346 278 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 278 V C 2.183 178.335 176.094 0.097 0.000 1.037 278 V CA 1.335 63.699 62.300 0.108 0.000 1.029 278 V CB -0.331 31.536 31.823 0.075 0.000 0.663 278 V HN 0.366 nan 8.190 nan 0.000 0.454 279 L N 0.094 121.386 121.223 0.115 0.000 2.141 279 L HA 0.218 4.558 4.340 -0.000 0.000 0.209 279 L C 1.064 177.989 176.870 0.090 0.000 1.094 279 L CA 1.158 56.059 54.840 0.101 0.000 0.763 279 L CB -0.523 41.616 42.059 0.134 0.000 0.908 279 L HN 0.560 nan 8.230 nan 0.000 0.437 280 G N -0.805 108.041 108.800 0.076 0.000 3.313 280 G HA2 0.179 4.139 3.960 -0.000 0.000 0.659 280 G HA3 0.179 4.139 3.960 -0.000 0.000 0.659 280 G C -0.352 174.551 174.900 0.005 0.000 1.286 280 G CA -0.447 44.692 45.100 0.065 0.000 1.077 280 G HN 0.167 nan 8.290 nan 0.000 0.551 281 A N 0.856 123.629 122.820 -0.078 0.000 2.606 281 A HA 0.935 5.255 4.320 -0.000 0.000 0.290 281 A C 1.224 178.739 177.584 -0.114 0.000 1.174 281 A CA 0.928 52.863 52.037 -0.170 0.000 0.958 281 A CB 0.029 18.717 19.000 -0.520 0.000 1.194 281 A HN 2.799 nan 8.150 nan 0.000 0.526 282 G N 0.278 109.040 108.800 -0.062 0.000 2.317 282 G HA2 0.308 4.268 3.960 -0.000 0.000 0.445 282 G HA3 0.308 4.268 3.960 -0.000 0.000 0.445 282 G C -3.385 171.444 174.900 -0.119 0.000 1.486 282 G CA -0.460 44.585 45.100 -0.091 0.000 0.991 282 G HN 0.177 nan 8.290 nan 0.000 0.660 283 P HA 0.366 nan 4.420 nan 0.000 0.274 283 P C -0.243 176.949 177.300 -0.181 0.000 1.231 283 P CA -0.162 62.871 63.100 -0.113 0.000 0.790 283 P CB 1.045 32.681 31.700 -0.108 0.000 0.951 284 H N -0.507 118.532 119.070 -0.052 0.000 3.017 284 H HA 0.232 4.788 4.556 -0.000 0.000 0.255 284 H C -0.048 175.263 175.328 -0.029 0.000 0.990 284 H CA 0.280 56.313 56.048 -0.026 0.000 1.205 284 H CB 1.328 31.081 29.762 -0.014 0.000 1.460 284 H HN 0.101 nan 8.280 nan 0.000 0.478 285 V N 2.067 122.020 119.914 0.064 0.000 2.531 285 V HA 0.122 4.242 4.120 -0.000 0.000 0.301 285 V C 0.165 176.250 176.094 -0.014 0.000 1.034 285 V CA -1.162 61.151 62.300 0.021 0.000 0.865 285 V CB 2.863 34.694 31.823 0.013 0.000 0.995 285 V HN 0.074 nan 8.190 nan 0.000 0.424 286 K N 4.230 124.622 120.400 -0.013 0.000 2.430 286 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 286 K C 0.684 177.268 176.600 -0.026 0.000 1.063 286 K CA 0.307 56.581 56.287 -0.022 0.000 1.071 286 K CB -0.073 32.419 32.500 -0.014 0.000 0.899 286 K HN 0.667 nan 8.250 nan 0.000 0.473 287 R N 0.929 121.406 120.500 -0.038 0.000 3.878 287 R HA -0.167 4.173 4.340 -0.000 0.000 0.330 287 R C 0.531 176.803 176.300 -0.048 0.000 1.186 287 R CA 0.553 56.629 56.100 -0.040 0.000 0.885 287 R CB -2.208 28.078 30.300 -0.024 0.000 1.377 287 R HN 0.853 nan 8.270 nan 0.000 0.523 288 G N 0.115 108.878 108.800 -0.061 0.000 2.634 288 G HA2 0.237 4.197 3.960 -0.000 0.000 0.255 288 G HA3 0.237 4.197 3.960 -0.000 0.000 0.255 288 G C 0.808 175.644 174.900 -0.107 0.000 1.205 288 G CA 0.092 45.153 45.100 -0.065 0.000 0.884 288 G HN 0.256 nan 8.290 nan 0.000 0.549 289 S N -0.659 114.993 115.700 -0.079 0.000 2.605 289 S HA 0.008 4.478 4.470 -0.000 0.000 0.217 289 S C 0.797 175.304 174.600 -0.156 0.000 0.958 289 S CA 0.205 58.364 58.200 -0.067 0.000 0.919 289 S CB -0.279 62.934 63.200 0.022 0.000 0.780 289 S HN 0.664 nan 8.310 nan 0.000 0.507 290 N N 1.141 119.717 118.700 -0.207 0.000 2.725 290 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 290 N C 0.935 176.414 175.510 -0.053 0.000 1.031 290 N CA 0.736 53.664 53.050 -0.204 0.000 0.720 290 N CB -1.598 36.572 38.487 -0.527 0.000 0.930 290 N HN 0.663 nan 8.380 nan 0.000 0.543 291 A N 0.252 123.061 122.820 -0.019 0.000 1.997 291 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 291 A C 2.104 179.700 177.584 0.020 0.000 1.172 291 A CA 2.362 54.409 52.037 0.017 0.000 0.645 291 A CB -0.455 18.548 19.000 0.005 0.000 0.813 291 A HN 0.665 nan 8.150 nan 0.000 0.454 292 T N -3.368 111.184 114.554 -0.003 0.000 3.145 292 T HA 0.323 4.673 4.350 -0.000 0.000 0.255 292 T C 0.493 175.209 174.700 0.026 0.000 1.039 292 T CA 0.518 62.618 62.100 0.001 0.000 0.928 292 T CB -0.239 68.608 68.868 -0.034 0.000 1.029 292 T HN 0.271 nan 8.240 nan 0.000 0.554 293 S N 1.016 116.747 115.700 0.051 0.000 2.411 293 S HA 0.384 4.854 4.470 -0.000 0.000 0.294 293 S C 1.437 176.107 174.600 0.115 0.000 1.115 293 S CA -0.335 57.918 58.200 0.088 0.000 1.071 293 S CB 0.954 64.214 63.200 0.101 0.000 0.967 293 S HN 0.392 nan 8.310 nan 0.000 0.488 294 S N 4.813 120.563 115.700 0.084 0.000 2.359 294 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 294 S C 1.756 176.390 174.600 0.056 0.000 1.035 294 S CA 1.368 59.606 58.200 0.063 0.000 1.018 294 S CB -0.514 62.714 63.200 0.047 0.000 0.876 294 S HN 0.812 nan 8.310 nan 0.000 0.448 295 L N -0.599 120.660 121.223 0.060 0.000 2.056 295 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 295 L C 2.402 179.304 176.870 0.052 0.000 1.078 295 L CA 1.756 56.599 54.840 0.004 0.000 0.749 295 L CB -0.630 41.419 42.059 -0.017 0.000 0.901 295 L HN 0.421 nan 8.230 nan 0.000 0.433 296 Y N 0.570 120.903 120.300 0.055 0.000 2.181 296 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 296 Y C 2.834 178.815 175.900 0.136 0.000 1.146 296 Y CA 1.520 59.714 58.100 0.156 0.000 1.164 296 Y CB 0.069 38.610 38.460 0.135 0.000 0.982 296 Y HN 0.169 nan 8.280 nan 0.000 0.515 297 Q N -0.357 119.586 119.800 0.239 0.000 2.167 297 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 297 Q C 2.450 178.460 176.000 0.016 0.000 0.970 297 Q CA 1.190 57.075 55.803 0.136 0.000 0.855 297 Q CB -0.655 28.149 28.738 0.110 0.000 0.911 297 Q HN 0.601 nan 8.270 nan 0.000 0.438 298 A N 0.161 122.966 122.820 -0.025 0.000 1.898 298 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 298 A C 2.400 179.881 177.584 -0.172 0.000 1.181 298 A CA 1.311 53.298 52.037 -0.083 0.000 0.620 298 A CB -0.491 18.457 19.000 -0.088 0.000 0.819 298 A HN 0.197 nan 8.150 nan 0.000 0.442 299 V N -0.097 119.647 119.914 -0.283 0.000 2.379 299 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 299 V C 3.037 178.808 176.094 -0.538 0.000 1.044 299 V CA 1.692 63.668 62.300 -0.540 0.000 1.036 299 V CB -1.203 30.039 31.823 -0.967 0.000 0.664 299 V HN 0.589 nan 8.190 nan 0.000 0.453 300 A N 0.053 122.692 122.820 -0.301 0.000 1.978 300 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 300 A C 2.257 179.706 177.584 -0.224 0.000 1.170 300 A CA 2.104 54.075 52.037 -0.109 0.000 0.636 300 A CB -0.453 18.583 19.000 0.060 0.000 0.810 300 A HN 0.583 nan 8.150 nan 0.000 0.448 301 K N -1.120 119.191 120.400 -0.148 0.000 2.148 301 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 301 K C 1.964 178.530 176.600 -0.057 0.000 1.050 301 K CA 1.148 57.385 56.287 -0.084 0.000 0.942 301 K CB -0.237 32.242 32.500 -0.035 0.000 0.724 301 K HN 0.475 nan 8.250 nan 0.000 0.446 302 G N 0.262 108.993 108.800 -0.115 0.000 2.608 302 G HA2 0.015 3.975 3.960 -0.000 0.000 0.210 302 G HA3 0.015 3.975 3.960 -0.000 0.000 0.210 302 G C 0.050 174.945 174.900 -0.008 0.000 1.139 302 G CA -0.190 44.891 45.100 -0.033 0.000 0.812 302 G HN 0.123 nan 8.290 nan 0.000 0.529 303 V N 1.048 120.850 119.914 -0.187 0.000 2.435 303 V HA 0.577 4.697 4.120 -0.000 0.000 0.290 303 V C -0.177 175.831 176.094 -0.143 0.000 1.030 303 V CA -0.709 61.527 62.300 -0.106 0.000 0.881 303 V CB 1.360 33.028 31.823 -0.259 0.000 0.983 303 V HN 0.402 nan 8.190 nan 0.000 0.445 304 H N 3.950 123.051 119.070 0.052 0.000 2.528 304 H HA 0.423 4.979 4.556 -0.000 0.000 0.282 304 H C 0.077 175.461 175.328 0.093 0.000 1.097 304 H CA -0.323 55.775 56.048 0.083 0.000 1.121 304 H CB 0.313 30.104 29.762 0.048 0.000 1.590 304 H HN 0.535 nan 8.280 nan 0.000 0.553 305 Q N 0.582 120.494 119.800 0.187 0.000 2.204 305 Q HA 0.361 4.701 4.340 -0.000 0.000 0.254 305 Q C -2.397 173.707 176.000 0.174 0.000 0.981 305 Q CA -2.423 53.469 55.803 0.148 0.000 0.897 305 Q CB 0.681 29.491 28.738 0.119 0.000 1.273 305 Q HN 0.105 nan 8.270 nan 0.000 0.464 306 P HA 0.164 nan 4.420 nan 0.000 0.268 306 P C -0.911 176.457 177.300 0.113 0.000 1.205 306 P CA 0.145 63.263 63.100 0.030 0.000 0.771 306 P CB 0.266 31.973 31.700 0.011 0.000 0.858 307 F N -0.698 119.233 119.950 -0.032 0.000 2.858 307 F HA 0.748 5.275 4.527 -0.000 0.000 0.319 307 F C -2.089 173.701 175.800 -0.016 0.000 1.166 307 F CA -1.088 56.880 58.000 -0.053 0.000 0.899 307 F CB 1.223 40.154 39.000 -0.115 0.000 1.332 307 F HN 0.153 nan 8.300 nan 0.000 0.461 308 D N 0.605 121.144 120.400 0.231 0.000 2.837 308 D HA 0.633 5.273 4.640 -0.000 0.000 0.220 308 D C -2.003 174.525 176.300 0.379 0.000 1.236 308 D CA -0.333 53.804 54.000 0.227 0.000 0.838 308 D CB 2.690 43.569 40.800 0.132 0.000 1.647 308 D HN 0.874 nan 8.370 nan 0.000 0.486 309 V N 1.719 121.880 119.914 0.412 0.000 3.012 309 V HA 0.877 4.997 4.120 -0.000 0.000 0.307 309 V C -1.665 174.606 176.094 0.296 0.000 1.166 309 V CA -0.127 62.364 62.300 0.320 0.000 0.974 309 V CB 1.995 33.936 31.823 0.197 0.000 1.040 309 V HN 0.633 nan 8.190 nan 0.000 0.428 310 S N 4.259 120.116 115.700 0.262 0.000 2.535 310 S HA 0.821 5.291 4.470 -0.000 0.000 0.272 310 S C -0.482 174.238 174.600 0.201 0.000 1.149 310 S CA 0.079 58.396 58.200 0.194 0.000 0.888 310 S CB 1.643 64.928 63.200 0.142 0.000 1.110 310 S HN 2.096 nan 8.310 nan 0.000 0.463 311 A N 2.939 125.824 122.820 0.108 0.000 2.462 311 A HA 0.624 4.944 4.320 -0.000 0.000 0.243 311 A C -0.633 176.968 177.584 0.029 0.000 1.076 311 A CA -0.118 51.937 52.037 0.030 0.000 0.773 311 A CB -0.163 18.848 19.000 0.018 0.000 1.010 311 A HN 1.033 nan 8.150 nan 0.000 0.493 312 F N 2.161 121.953 119.950 -0.263 0.000 2.482 312 F HA 0.595 5.122 4.527 -0.000 0.000 0.331 312 F C -0.326 175.325 175.800 -0.249 0.000 1.115 312 F CA -0.682 57.210 58.000 -0.179 0.000 0.955 312 F CB 1.634 40.581 39.000 -0.088 0.000 1.136 312 F HN 0.599 nan 8.300 nan 0.000 0.452 313 N N 4.214 122.527 118.700 -0.645 0.000 2.500 313 N HA 0.675 5.415 4.740 -0.000 0.000 0.291 313 N C -1.926 173.275 175.510 -0.515 0.000 1.092 313 N CA -0.343 52.519 53.050 -0.313 0.000 0.890 313 N CB 1.875 40.393 38.487 0.051 0.000 1.466 313 N HN 0.778 nan 8.380 nan 0.000 0.507 314 A N 2.207 124.811 122.820 -0.361 0.000 2.335 314 A HA 0.684 5.004 4.320 -0.000 0.000 0.304 314 A C -0.905 176.465 177.584 -0.358 0.000 1.118 314 A CA -0.627 51.192 52.037 -0.363 0.000 0.757 314 A CB 1.189 20.136 19.000 -0.088 0.000 1.188 314 A HN 0.447 nan 8.150 nan 0.000 0.460 315 S N 1.828 117.241 115.700 -0.479 0.000 2.519 315 S HA 0.766 5.236 4.470 -0.000 0.000 0.309 315 S C -1.212 173.108 174.600 -0.467 0.000 1.100 315 S CA -0.261 57.739 58.200 -0.333 0.000 1.059 315 S CB 0.194 63.309 63.200 -0.142 0.000 1.008 315 S HN 0.485 nan 8.310 nan 0.000 0.478 316 Y N 1.292 121.633 120.300 0.068 0.000 2.675 316 Y HA 0.361 4.911 4.550 -0.000 0.000 0.328 316 Y C 1.966 177.892 175.900 0.043 0.000 1.092 316 Y CA -0.514 57.616 58.100 0.051 0.000 1.190 316 Y CB 0.717 39.199 38.460 0.038 0.000 1.350 316 Y HN 0.680 nan 8.280 nan 0.000 0.525 317 S N -0.273 115.562 115.700 0.226 0.000 2.370 317 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 317 S C 0.693 175.363 174.600 0.117 0.000 1.033 317 S CA 1.921 60.203 58.200 0.138 0.000 1.011 317 S CB -0.388 62.887 63.200 0.126 0.000 0.852 317 S HN 0.803 nan 8.310 nan 0.000 0.457 318 D N -0.404 120.069 120.400 0.121 0.000 2.535 318 D HA 0.472 5.112 4.640 -0.000 0.000 0.229 318 D C 0.214 176.595 176.300 0.134 0.000 1.238 318 D CA -0.105 53.957 54.000 0.103 0.000 0.824 318 D CB 0.332 41.176 40.800 0.074 0.000 1.045 318 D HN 0.342 nan 8.370 nan 0.000 0.500 319 S N -1.832 113.979 115.700 0.186 0.000 2.669 319 S HA 0.687 5.157 4.470 -0.000 0.000 0.266 319 S C -1.507 173.263 174.600 0.284 0.000 1.149 319 S CA -0.214 58.132 58.200 0.243 0.000 0.842 319 S CB 1.063 64.476 63.200 0.355 0.000 1.160 319 S HN 0.565 nan 8.310 nan 0.000 0.487 320 G N 0.421 109.387 108.800 0.278 0.000 2.632 320 G HA2 0.591 4.551 3.960 -0.000 0.000 0.292 320 G HA3 0.591 4.551 3.960 -0.000 0.000 0.292 320 G C -2.375 172.629 174.900 0.173 0.000 1.465 320 G CA -0.596 44.617 45.100 0.187 0.000 0.824 320 G HN 0.736 nan 8.290 nan 0.000 0.509 321 L N 0.574 121.906 121.223 0.182 0.000 2.385 321 L HA 0.736 5.076 4.340 -0.000 0.000 0.273 321 L C -1.275 175.717 176.870 0.204 0.000 0.990 321 L CA -0.824 54.139 54.840 0.205 0.000 0.821 321 L CB 2.291 44.540 42.059 0.316 0.000 1.279 321 L HN 0.567 nan 8.230 nan 0.000 0.412 322 F N 1.720 121.697 119.950 0.045 0.000 2.578 322 F HA 0.874 5.401 4.527 -0.000 0.000 0.311 322 F C 0.053 175.946 175.800 0.155 0.000 1.094 322 F CA 0.062 58.101 58.000 0.066 0.000 0.923 322 F CB 2.197 41.131 39.000 -0.111 0.000 1.230 322 F HN 0.521 nan 8.300 nan 0.000 0.450 323 G N 3.108 111.318 108.800 -0.984 0.000 2.498 323 G HA2 0.382 4.342 3.960 -0.000 0.000 0.181 323 G HA3 0.382 4.342 3.960 -0.000 0.000 0.181 323 G C -1.880 172.688 174.900 -0.553 0.000 1.169 323 G CA -0.062 44.577 45.100 -0.768 0.000 0.992 323 G HN 1.077 nan 8.290 nan 0.000 0.490 324 F N -1.578 118.238 119.950 -0.223 0.000 2.643 324 F HA 0.879 5.406 4.527 -0.000 0.000 0.314 324 F C -1.558 174.262 175.800 0.034 0.000 1.096 324 F CA -1.978 55.978 58.000 -0.073 0.000 0.953 324 F CB 1.755 40.720 39.000 -0.059 0.000 1.345 324 F HN 0.631 nan 8.300 nan 0.000 0.468 325 Y N 1.242 121.685 120.300 0.239 0.000 2.409 325 Y HA 0.663 5.213 4.550 -0.000 0.000 0.343 325 Y C -0.562 175.456 175.900 0.196 0.000 0.973 325 Y CA -0.541 57.630 58.100 0.118 0.000 1.064 325 Y CB 1.982 40.488 38.460 0.076 0.000 1.207 325 Y HN 0.976 nan 8.280 nan 0.000 0.452 326 T N 4.383 118.988 114.554 0.085 0.000 2.893 326 T HA 0.790 5.140 4.350 -0.000 0.000 0.291 326 T C -1.041 173.643 174.700 -0.026 0.000 1.028 326 T CA -0.740 61.432 62.100 0.119 0.000 0.995 326 T CB 1.495 70.418 68.868 0.091 0.000 1.051 326 T HN 0.518 nan 8.240 nan 0.000 0.470 327 I N 2.558 123.145 120.570 0.027 0.000 2.512 327 I HA 0.591 4.761 4.170 -0.000 0.000 0.287 327 I C -0.247 175.878 176.117 0.014 0.000 1.069 327 I CA -0.627 60.597 61.300 -0.126 0.000 1.056 327 I CB 2.072 39.953 38.000 -0.198 0.000 1.229 327 I HN 1.057 nan 8.210 nan 0.000 0.429 328 S N 4.044 119.745 115.700 0.002 0.000 2.643 328 S HA 0.474 4.944 4.470 -0.000 0.000 0.270 328 S C -1.164 173.461 174.600 0.042 0.000 1.166 328 S CA -1.097 57.139 58.200 0.060 0.000 0.815 328 S CB 1.728 64.962 63.200 0.057 0.000 1.139 328 S HN 0.567 nan 8.310 nan 0.000 0.472 329 Q N 0.348 120.180 119.800 0.054 0.000 2.392 329 Q HA 0.451 4.791 4.340 -0.000 0.000 0.262 329 Q C 1.564 177.579 176.000 0.025 0.000 1.003 329 Q CA 0.125 55.951 55.803 0.039 0.000 0.888 329 Q CB 0.768 29.532 28.738 0.044 0.000 1.260 329 Q HN 0.887 nan 8.270 nan 0.000 0.435 330 A N 2.406 125.228 122.820 0.005 0.000 1.948 330 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 330 A C 2.014 179.591 177.584 -0.010 0.000 1.177 330 A CA 2.140 54.165 52.037 -0.020 0.000 0.636 330 A CB -0.802 18.165 19.000 -0.056 0.000 0.815 330 A HN 0.858 nan 8.150 nan 0.000 0.449 331 A N -1.216 121.607 122.820 0.005 0.000 2.066 331 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 331 A C 2.112 179.818 177.584 0.203 0.000 1.157 331 A CA 1.646 53.760 52.037 0.127 0.000 0.670 331 A CB -0.370 18.689 19.000 0.097 0.000 0.804 331 A HN 0.420 nan 8.150 nan 0.000 0.453 332 S N -0.609 115.147 115.700 0.094 0.000 2.556 332 S HA 0.362 4.832 4.470 -0.000 0.000 0.216 332 S C 1.911 176.524 174.600 0.021 0.000 0.970 332 S CA 0.367 58.598 58.200 0.052 0.000 0.912 332 S CB 0.128 63.349 63.200 0.035 0.000 0.790 332 S HN 0.719 nan 8.310 nan 0.000 0.504 333 A N 2.068 124.909 122.820 0.035 0.000 1.892 333 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 333 A C 2.278 179.859 177.584 -0.005 0.000 1.188 333 A CA 1.994 54.035 52.037 0.006 0.000 0.631 333 A CB -1.476 17.526 19.000 0.003 0.000 0.822 333 A HN 0.520 nan 8.150 nan 0.000 0.447 334 G N -0.407 108.399 108.800 0.010 0.000 2.418 334 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 334 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 334 G C 1.151 176.038 174.900 -0.021 0.000 1.158 334 G CA 1.245 46.340 45.100 -0.007 0.000 0.771 334 G HN 0.493 nan 8.290 nan 0.000 0.545 335 D N 0.263 120.642 120.400 -0.036 0.000 2.117 335 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 335 D C 2.783 179.018 176.300 -0.109 0.000 0.987 335 D CA 0.807 54.771 54.000 -0.061 0.000 0.829 335 D CB -0.492 40.272 40.800 -0.059 0.000 0.961 335 D HN 0.221 nan 8.370 nan 0.000 0.460 336 V N 1.227 121.060 119.914 -0.135 0.000 2.307 336 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 336 V C 2.559 178.564 176.094 -0.149 0.000 1.045 336 V CA 1.073 63.238 62.300 -0.226 0.000 1.024 336 V CB -0.343 31.350 31.823 -0.216 0.000 0.651 336 V HN 0.149 nan 8.190 nan 0.000 0.449 337 I N -0.409 120.141 120.570 -0.033 0.000 2.226 337 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 337 I C 2.546 178.729 176.117 0.111 0.000 1.100 337 I CA 1.665 63.024 61.300 0.097 0.000 1.374 337 I CB -0.374 37.691 38.000 0.109 0.000 1.057 337 I HN 0.259 nan 8.210 nan 0.000 0.413 338 K N 0.762 121.199 120.400 0.062 0.000 2.057 338 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 338 K C 2.280 178.912 176.600 0.053 0.000 1.050 338 K CA 1.387 57.737 56.287 0.104 0.000 0.935 338 K CB -0.254 32.282 32.500 0.060 0.000 0.715 338 K HN 0.289 nan 8.250 nan 0.000 0.439 339 A N 1.631 124.419 122.820 -0.053 0.000 1.902 339 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 339 A C 2.381 179.872 177.584 -0.154 0.000 1.181 339 A CA 1.863 53.834 52.037 -0.110 0.000 0.623 339 A CB -0.674 18.217 19.000 -0.182 0.000 0.818 339 A HN 0.329 nan 8.150 nan 0.000 0.443 340 A N -1.564 121.102 122.820 -0.257 0.000 1.877 340 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 340 A C 2.167 179.544 177.584 -0.345 0.000 1.186 340 A CA 1.689 53.436 52.037 -0.483 0.000 0.620 340 A CB -0.822 17.591 19.000 -0.978 0.000 0.822 340 A HN 0.641 nan 8.150 nan 0.000 0.443 341 Y N 1.649 121.815 120.300 -0.222 0.000 2.145 341 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 341 Y C 2.200 178.164 175.900 0.106 0.000 1.145 341 Y CA 1.826 60.022 58.100 0.160 0.000 1.148 341 Y CB -0.439 38.205 38.460 0.306 0.000 0.981 341 Y HN 0.335 nan 8.280 nan 0.000 0.507 342 N N 0.234 118.940 118.700 0.010 0.000 2.149 342 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 342 N C 1.824 177.283 175.510 -0.084 0.000 1.019 342 N CA 1.492 54.492 53.050 -0.083 0.000 0.857 342 N CB -0.560 37.906 38.487 -0.035 0.000 0.997 342 N HN 0.423 nan 8.380 nan 0.000 0.426 343 Q N 0.976 120.733 119.800 -0.071 0.000 2.124 343 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 343 Q C 1.721 177.704 176.000 -0.028 0.000 0.977 343 Q CA 1.073 56.841 55.803 -0.058 0.000 0.850 343 Q CB -0.213 28.478 28.738 -0.078 0.000 0.901 343 Q HN 0.170 nan 8.270 nan 0.000 0.429 344 V N 0.487 120.400 119.914 -0.003 0.000 2.667 344 V HA -0.158 3.962 4.120 -0.000 0.000 0.252 344 V C 2.048 178.166 176.094 0.039 0.000 1.065 344 V CA 1.737 64.083 62.300 0.077 0.000 1.083 344 V CB -0.452 31.516 31.823 0.242 0.000 0.692 344 V HN 0.319 nan 8.190 nan 0.000 0.468 345 K N 0.649 121.005 120.400 -0.074 0.000 2.148 345 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 345 K C 2.331 178.903 176.600 -0.047 0.000 1.050 345 K CA 1.849 58.074 56.287 -0.105 0.000 0.942 345 K CB -0.392 31.986 32.500 -0.203 0.000 0.724 345 K HN 0.710 nan 8.250 nan 0.000 0.446 346 T N -0.144 114.387 114.554 -0.038 0.000 2.867 346 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 346 T C 1.871 176.565 174.700 -0.011 0.000 1.057 346 T CA 0.617 62.702 62.100 -0.024 0.000 1.136 346 T CB -0.115 68.740 68.868 -0.023 0.000 0.874 346 T HN -0.065 nan 8.240 nan 0.000 0.466 347 I N 2.465 123.035 120.570 -0.000 0.000 2.252 347 I HA 0.028 4.198 4.170 -0.000 0.000 0.245 347 I C 3.119 179.236 176.117 0.000 0.000 1.102 347 I CA 1.181 62.483 61.300 0.004 0.000 1.385 347 I CB -1.776 36.235 38.000 0.018 0.000 1.064 347 I HN 0.395 nan 8.210 nan 0.000 0.414 348 A N 0.072 122.900 122.820 0.013 0.000 2.070 348 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 348 A C 2.083 179.665 177.584 -0.003 0.000 1.159 348 A CA 1.108 53.153 52.037 0.013 0.000 0.656 348 A CB -0.558 18.464 19.000 0.037 0.000 0.800 348 A HN 0.534 nan 8.150 nan 0.000 0.453 349 Q N -1.785 118.010 119.800 -0.009 0.000 2.403 349 Q HA 0.297 4.637 4.340 -0.000 0.000 0.203 349 Q C 1.106 177.098 176.000 -0.013 0.000 0.932 349 Q CA 0.408 56.204 55.803 -0.012 0.000 0.945 349 Q CB 0.251 28.980 28.738 -0.015 0.000 1.045 349 Q HN 0.827 nan 8.270 nan 0.000 0.511 350 G N 0.993 109.784 108.800 -0.014 0.000 2.176 350 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.232 350 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.232 350 G C -0.041 174.850 174.900 -0.014 0.000 0.986 350 G CA -0.384 44.707 45.100 -0.016 0.000 0.643 350 G HN 0.294 nan 8.290 nan 0.000 0.522 351 N N 0.614 119.307 118.700 -0.012 0.000 2.819 351 N HA 0.356 5.096 4.740 -0.000 0.000 0.284 351 N C -0.614 174.891 175.510 -0.008 0.000 1.196 351 N CA 0.479 53.523 53.050 -0.010 0.000 1.114 351 N CB 0.918 39.399 38.487 -0.010 0.000 1.437 351 N HN 0.509 nan 8.380 nan 0.000 0.518 352 L N 0.951 122.168 121.223 -0.010 0.000 2.482 352 L HA 0.308 4.648 4.340 -0.000 0.000 0.269 352 L C -0.107 176.757 176.870 -0.010 0.000 0.967 352 L CA -0.608 54.227 54.840 -0.009 0.000 0.851 352 L CB 1.678 43.728 42.059 -0.015 0.000 1.242 352 L HN 0.179 nan 8.230 nan 0.000 0.404 353 S N 2.284 117.980 115.700 -0.007 0.000 2.586 353 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 353 S C 0.752 175.347 174.600 -0.009 0.000 1.281 353 S CA -0.124 58.071 58.200 -0.008 0.000 1.035 353 S CB 0.961 64.158 63.200 -0.005 0.000 0.962 353 S HN 0.780 nan 8.310 nan 0.000 0.512 354 N N 2.286 120.980 118.700 -0.011 0.000 2.104 354 N HA -0.036 4.704 4.740 -0.000 0.000 0.190 354 N C -1.295 174.209 175.510 -0.011 0.000 1.024 354 N CA 1.415 54.457 53.050 -0.013 0.000 0.853 354 N CB -1.031 37.448 38.487 -0.013 0.000 1.008 354 N HN 0.549 nan 8.380 nan 0.000 0.424 355 P HA -0.103 nan 4.420 nan 0.000 0.216 355 P C 0.444 177.740 177.300 -0.007 0.000 1.150 355 P CA 1.137 64.232 63.100 -0.008 0.000 0.837 355 P CB 0.107 31.802 31.700 -0.007 0.000 0.786 356 D N -1.054 119.344 120.400 -0.003 0.000 2.144 356 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 356 D C 1.968 178.272 176.300 0.006 0.000 0.978 356 D CA 1.030 55.032 54.000 0.003 0.000 0.833 356 D CB -0.587 40.218 40.800 0.007 0.000 0.961 356 D HN 0.007 nan 8.370 nan 0.000 0.470 357 V N 0.776 120.689 119.914 -0.002 0.000 2.453 357 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 357 V C 2.454 178.543 176.094 -0.008 0.000 1.048 357 V CA 1.307 63.604 62.300 -0.005 0.000 1.049 357 V CB -0.381 31.432 31.823 -0.017 0.000 0.672 357 V HN 0.077 nan 8.190 nan 0.000 0.457 358 Q N 0.735 120.528 119.800 -0.012 0.000 2.079 358 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 358 Q C 2.148 178.140 176.000 -0.014 0.000 0.974 358 Q CA 2.056 57.849 55.803 -0.015 0.000 0.840 358 Q CB -0.621 28.108 28.738 -0.015 0.000 0.898 358 Q HN 0.573 nan 8.270 nan 0.000 0.430 359 A N 0.265 123.079 122.820 -0.011 0.000 1.902 359 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 359 A C 2.285 179.869 177.584 -0.001 0.000 1.181 359 A CA 1.938 53.966 52.037 -0.015 0.000 0.623 359 A CB -1.170 17.819 19.000 -0.019 0.000 0.818 359 A HN 0.496 nan 8.150 nan 0.000 0.443 360 A N -0.262 122.571 122.820 0.023 0.000 1.902 360 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 360 A C 2.115 179.699 177.584 -0.000 0.000 1.181 360 A CA 1.836 53.913 52.037 0.067 0.000 0.623 360 A CB -0.434 18.618 19.000 0.088 0.000 0.818 360 A HN 0.540 nan 8.150 nan 0.000 0.443 361 K N -0.446 119.939 120.400 -0.025 0.000 2.097 361 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 361 K C 1.701 178.266 176.600 -0.058 0.000 1.049 361 K CA 1.353 57.606 56.287 -0.057 0.000 0.933 361 K CB -0.199 32.275 32.500 -0.042 0.000 0.717 361 K HN 0.396 nan 8.250 nan 0.000 0.442 362 N N 1.130 119.811 118.700 -0.033 0.000 2.142 362 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 362 N C 1.421 176.926 175.510 -0.008 0.000 1.023 362 N CA 1.233 54.271 53.050 -0.019 0.000 0.852 362 N CB -0.038 38.440 38.487 -0.015 0.000 0.998 362 N HN 0.168 nan 8.380 nan 0.000 0.424 363 K N 0.271 120.673 120.400 0.003 0.000 2.057 363 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 363 K C 1.866 178.443 176.600 -0.038 0.000 1.049 363 K CA 0.664 57.006 56.287 0.092 0.000 0.931 363 K CB -0.240 32.404 32.500 0.240 0.000 0.714 363 K HN 0.032 nan 8.250 nan 0.000 0.440 364 L N 1.936 122.973 121.223 -0.311 0.000 2.027 364 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 364 L C 1.766 178.556 176.870 -0.134 0.000 1.074 364 L CA 1.853 56.398 54.840 -0.491 0.000 0.745 364 L CB -0.222 41.530 42.059 -0.512 0.000 0.898 364 L HN -0.018 nan 8.230 nan 0.000 0.433 365 K N -0.602 119.758 120.400 -0.067 0.000 2.025 365 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 365 K C 2.099 178.743 176.600 0.074 0.000 1.049 365 K CA 1.375 57.672 56.287 0.017 0.000 0.933 365 K CB -0.459 32.042 32.500 0.001 0.000 0.714 365 K HN 0.440 nan 8.250 nan 0.000 0.438 366 A N 1.077 123.927 122.820 0.051 0.000 1.930 366 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 366 A C 2.391 180.022 177.584 0.080 0.000 1.175 366 A CA 1.820 53.896 52.037 0.066 0.000 0.627 366 A CB -1.123 17.918 19.000 0.067 0.000 0.815 366 A HN 0.427 nan 8.150 nan 0.000 0.443 367 G N -1.704 107.151 108.800 0.091 0.000 2.402 367 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 367 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 367 G C 1.540 176.509 174.900 0.114 0.000 1.162 367 G CA 1.224 46.387 45.100 0.105 0.000 0.777 367 G HN 0.556 nan 8.290 nan 0.000 0.539 368 Y N 1.239 121.543 120.300 0.007 0.000 2.145 368 Y HA -0.004 4.546 4.550 -0.000 0.000 0.286 368 Y C 2.576 178.495 175.900 0.031 0.000 1.145 368 Y CA 1.254 59.362 58.100 0.014 0.000 1.148 368 Y CB -0.331 38.125 38.460 -0.007 0.000 0.981 368 Y HN 0.096 nan 8.280 nan 0.000 0.507 369 L N -0.613 120.609 121.223 -0.003 0.000 2.083 369 L HA -0.276 4.064 4.340 -0.000 0.000 0.209 369 L C 2.493 179.316 176.870 -0.079 0.000 1.083 369 L CA 1.643 56.440 54.840 -0.072 0.000 0.752 369 L CB -0.517 41.563 42.059 0.036 0.000 0.899 369 L HN 0.329 nan 8.230 nan 0.000 0.433 370 M N -0.644 118.937 119.600 -0.032 0.000 2.319 370 M HA -0.130 4.350 4.480 -0.000 0.000 0.265 370 M C 2.431 178.709 176.300 -0.037 0.000 1.068 370 M CA 1.678 56.966 55.300 -0.019 0.000 1.118 370 M CB -0.196 32.410 32.600 0.009 0.000 1.395 370 M HN 0.344 nan 8.290 nan 0.000 0.435 371 S N -0.185 115.472 115.700 -0.071 0.000 2.522 371 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 371 S C 1.261 175.813 174.600 -0.080 0.000 0.986 371 S CA 0.668 58.828 58.200 -0.066 0.000 0.929 371 S CB -0.627 62.539 63.200 -0.056 0.000 0.769 371 S HN 0.434 nan 8.310 nan 0.000 0.529 372 V N -2.099 117.741 119.914 -0.125 0.000 3.121 372 V HA 0.457 4.577 4.120 -0.000 0.000 0.344 372 V C 1.412 177.532 176.094 0.042 0.000 1.390 372 V CA -0.036 62.249 62.300 -0.025 0.000 1.177 372 V CB -0.337 31.436 31.823 -0.084 0.000 1.163 372 V HN 0.344 nan 8.190 nan 0.000 0.484 373 E N 1.956 122.158 120.200 0.002 0.000 2.112 373 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 373 E C 1.383 177.986 176.600 0.005 0.000 0.979 373 E CA 1.012 57.411 56.400 -0.002 0.000 0.814 373 E CB 0.220 29.915 29.700 -0.008 0.000 0.762 373 E HN 0.845 nan 8.360 nan 0.000 0.460 374 S N -0.569 115.146 115.700 0.026 0.000 2.687 374 S HA 0.128 4.598 4.470 -0.000 0.000 0.283 374 S C 1.194 175.838 174.600 0.074 0.000 1.170 374 S CA -0.111 58.108 58.200 0.031 0.000 1.008 374 S CB 1.661 64.879 63.200 0.030 0.000 1.026 374 S HN 0.169 nan 8.310 nan 0.000 0.541 375 S N 0.291 116.028 115.700 0.060 0.000 2.383 375 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 375 S C 1.641 176.343 174.600 0.169 0.000 1.030 375 S CA 1.344 59.611 58.200 0.111 0.000 1.002 375 S CB -0.924 62.315 63.200 0.064 0.000 0.829 375 S HN 0.897 nan 8.310 nan 0.000 0.467 376 E N 1.708 121.975 120.200 0.112 0.000 2.051 376 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 376 E C 2.226 178.897 176.600 0.118 0.000 0.991 376 E CA 1.207 57.670 56.400 0.106 0.000 0.799 376 E CB -0.954 28.785 29.700 0.065 0.000 0.748 376 E HN 0.627 nan 8.360 nan 0.000 0.449 377 G N 0.244 109.105 108.800 0.101 0.000 2.402 377 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 377 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 377 G C 1.359 176.315 174.900 0.095 0.000 1.162 377 G CA 0.643 45.790 45.100 0.078 0.000 0.777 377 G HN 0.382 nan 8.290 nan 0.000 0.539 378 F N 0.924 120.873 119.950 -0.003 0.000 2.069 378 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 378 F C 2.348 178.158 175.800 0.016 0.000 1.113 378 F CA 1.368 59.366 58.000 -0.005 0.000 1.214 378 F CB -0.443 38.551 39.000 -0.009 0.000 0.978 378 F HN 0.091 nan 8.300 nan 0.000 0.474 379 L N 0.800 122.065 121.223 0.069 0.000 2.012 379 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 379 L C 2.131 178.995 176.870 -0.010 0.000 1.073 379 L CA 2.387 57.238 54.840 0.018 0.000 0.748 379 L CB -1.001 41.204 42.059 0.243 0.000 0.891 379 L HN 0.272 nan 8.230 nan 0.000 0.431 380 D N -1.207 119.265 120.400 0.121 0.000 2.144 380 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 380 D C 2.070 178.351 176.300 -0.031 0.000 0.984 380 D CA 1.154 55.253 54.000 0.164 0.000 0.834 380 D CB 0.103 40.995 40.800 0.153 0.000 0.955 380 D HN 0.348 nan 8.370 nan 0.000 0.465 381 E N -0.274 119.872 120.200 -0.089 0.000 2.028 381 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 381 E C 2.131 178.637 176.600 -0.156 0.000 0.988 381 E CA 1.148 57.501 56.400 -0.079 0.000 0.799 381 E CB -0.411 29.252 29.700 -0.061 0.000 0.755 381 E HN 0.186 nan 8.360 nan 0.000 0.447 382 V N 0.402 120.108 119.914 -0.347 0.000 2.295 382 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 382 V C 2.355 178.213 176.094 -0.395 0.000 1.049 382 V CA 1.929 64.022 62.300 -0.345 0.000 1.024 382 V CB -1.220 30.243 31.823 -0.601 0.000 0.648 382 V HN 0.484 nan 8.190 nan 0.000 0.447 383 G N -0.476 107.865 108.800 -0.765 0.000 2.440 383 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 383 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 383 G C 1.829 176.328 174.900 -0.668 0.000 1.154 383 G CA 1.251 45.529 45.100 -1.370 0.000 0.767 383 G HN 0.522 nan 8.290 nan 0.000 0.552 384 S N 0.122 115.613 115.700 -0.348 0.000 2.371 384 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 384 S C 2.325 176.908 174.600 -0.029 0.000 1.029 384 S CA 1.100 59.257 58.200 -0.072 0.000 0.978 384 S CB -0.214 62.994 63.200 0.014 0.000 0.833 384 S HN 0.486 nan 8.310 nan 0.000 0.466 385 Q N 0.748 120.532 119.800 -0.026 0.000 2.084 385 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 385 Q C 2.531 178.574 176.000 0.072 0.000 0.978 385 Q CA 1.334 57.162 55.803 0.041 0.000 0.844 385 Q CB -0.373 28.422 28.738 0.096 0.000 0.898 385 Q HN 0.594 nan 8.270 nan 0.000 0.426 386 A N 0.753 123.603 122.820 0.050 0.000 1.940 386 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 386 A C 1.974 179.595 177.584 0.061 0.000 1.176 386 A CA 1.230 53.321 52.037 0.089 0.000 0.631 386 A CB -0.541 18.431 19.000 -0.047 0.000 0.814 386 A HN 0.301 nan 8.150 nan 0.000 0.446 387 L N -1.676 119.564 121.223 0.028 0.000 2.249 387 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 387 L C 2.977 179.892 176.870 0.074 0.000 1.090 387 L CA 0.748 55.623 54.840 0.059 0.000 0.802 387 L CB -0.450 41.657 42.059 0.081 0.000 0.947 387 L HN 0.436 nan 8.230 nan 0.000 0.453 388 A N 0.019 122.881 122.820 0.069 0.000 1.855 388 A HA 0.097 4.417 4.320 -0.000 0.000 0.213 388 A C 2.115 179.736 177.584 0.062 0.000 1.195 388 A CA 1.521 53.600 52.037 0.070 0.000 0.610 388 A CB -0.320 18.716 19.000 0.061 0.000 0.837 388 A HN 0.333 nan 8.150 nan 0.000 0.444 389 A N -2.202 120.653 122.820 0.059 0.000 2.469 389 A HA 0.470 4.790 4.320 -0.000 0.000 0.245 389 A C 1.510 179.138 177.584 0.073 0.000 1.221 389 A CA 0.999 53.066 52.037 0.050 0.000 0.946 389 A CB -0.546 18.466 19.000 0.019 0.000 1.049 389 A HN 1.847 nan 8.150 nan 0.000 0.529 390 G N 0.660 109.531 108.800 0.119 0.000 2.341 390 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.292 390 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.292 390 G C 0.280 175.336 174.900 0.259 0.000 1.021 390 G CA 1.233 46.452 45.100 0.198 0.000 0.905 390 G HN 1.927 nan 8.290 nan 0.000 0.508 391 S N -1.844 113.950 115.700 0.157 0.000 2.643 391 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 391 S C -1.214 173.301 174.600 -0.142 0.000 1.166 391 S CA -0.934 57.153 58.200 -0.188 0.000 0.815 391 S CB 2.123 65.225 63.200 -0.163 0.000 1.139 391 S HN 1.426 nan 8.310 nan 0.000 0.472 392 Y N 1.036 121.025 120.300 -0.517 0.000 2.331 392 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 392 Y C -0.811 174.988 175.900 -0.169 0.000 0.960 392 Y CA -0.347 57.603 58.100 -0.250 0.000 1.130 392 Y CB 1.954 40.286 38.460 -0.215 0.000 1.164 392 Y HN 0.831 nan 8.280 nan 0.000 0.458 393 T N 9.428 123.573 114.554 -0.681 0.000 2.756 393 T HA 0.357 4.707 4.350 -0.000 0.000 0.290 393 T C -2.731 171.443 174.700 -0.878 0.000 0.985 393 T CA -1.354 60.397 62.100 -0.582 0.000 0.955 393 T CB 1.070 69.752 68.868 -0.310 0.000 0.930 393 T HN 0.437 nan 8.240 nan 0.000 0.451 394 P HA 0.245 nan 4.420 nan 0.000 0.274 394 P C -2.253 174.975 177.300 -0.121 0.000 1.237 394 P CA -1.636 61.221 63.100 -0.407 0.000 0.793 394 P CB 0.811 32.432 31.700 -0.131 0.000 0.977 395 P HA -0.246 nan 4.420 nan 0.000 0.215 395 P C 1.921 179.261 177.300 0.066 0.000 1.163 395 P CA 2.458 65.663 63.100 0.175 0.000 0.894 395 P CB -0.470 31.348 31.700 0.197 0.000 0.791 396 S N -1.957 113.763 115.700 0.035 0.000 2.387 396 S HA -0.185 4.285 4.470 -0.000 0.000 0.230 396 S C 1.902 176.483 174.600 -0.031 0.000 1.035 396 S CA 2.141 60.345 58.200 0.007 0.000 1.014 396 S CB -1.974 61.231 63.200 0.008 0.000 0.836 396 S HN 0.153 nan 8.310 nan 0.000 0.466 397 T N 2.056 116.572 114.554 -0.063 0.000 2.857 397 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 397 T C 1.939 176.571 174.700 -0.114 0.000 1.048 397 T CA 1.138 63.184 62.100 -0.091 0.000 1.139 397 T CB -0.483 68.312 68.868 -0.122 0.000 0.874 397 T HN 0.295 nan 8.240 nan 0.000 0.455 398 V N 1.957 121.784 119.914 -0.144 0.000 2.287 398 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 398 V C 2.486 178.472 176.094 -0.180 0.000 1.053 398 V CA 1.509 63.673 62.300 -0.228 0.000 1.027 398 V CB -0.767 30.804 31.823 -0.421 0.000 0.646 398 V HN 0.452 nan 8.190 nan 0.000 0.447 399 L N -0.589 120.572 121.223 -0.104 0.000 2.131 399 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 399 L C 2.661 179.492 176.870 -0.066 0.000 1.092 399 L CA 1.591 56.391 54.840 -0.066 0.000 0.759 399 L CB -0.648 41.403 42.059 -0.013 0.000 0.903 399 L HN 0.396 nan 8.230 nan 0.000 0.435 400 Q N -0.353 119.409 119.800 -0.064 0.000 2.119 400 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 400 Q C 2.235 178.195 176.000 -0.067 0.000 0.972 400 Q CA 1.218 56.987 55.803 -0.057 0.000 0.847 400 Q CB -0.053 28.654 28.738 -0.051 0.000 0.903 400 Q HN 0.579 nan 8.270 nan 0.000 0.433 401 Q N 0.122 119.871 119.800 -0.086 0.000 2.224 401 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 401 Q C 1.938 177.886 176.000 -0.087 0.000 0.970 401 Q CA 0.850 56.600 55.803 -0.088 0.000 0.865 401 Q CB 0.050 28.723 28.738 -0.107 0.000 0.922 401 Q HN 0.432 nan 8.270 nan 0.000 0.445 402 I N 0.826 121.337 120.570 -0.097 0.000 2.286 402 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 402 I C 1.538 177.614 176.117 -0.069 0.000 1.104 402 I CA 0.867 62.113 61.300 -0.091 0.000 1.397 402 I CB -0.126 37.811 38.000 -0.105 0.000 1.072 402 I HN 0.116 nan 8.210 nan 0.000 0.417 403 D N 1.229 121.593 120.400 -0.059 0.000 2.178 403 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 403 D C 2.164 178.437 176.300 -0.045 0.000 0.980 403 D CA 1.369 55.341 54.000 -0.047 0.000 0.842 403 D CB -0.035 40.742 40.800 -0.039 0.000 0.948 403 D HN 0.332 nan 8.370 nan 0.000 0.472 404 A N 0.691 123.482 122.820 -0.049 0.000 2.121 404 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 404 A C 1.268 178.823 177.584 -0.048 0.000 1.154 404 A CA 0.180 52.190 52.037 -0.046 0.000 0.679 404 A CB -0.122 18.850 19.000 -0.047 0.000 0.795 404 A HN 0.054 nan 8.150 nan 0.000 0.458 405 V N 0.856 120.738 119.914 -0.055 0.000 2.529 405 V HA 0.333 4.453 4.120 -0.000 0.000 0.292 405 V C 0.813 176.874 176.094 -0.055 0.000 1.028 405 V CA 0.059 62.323 62.300 -0.060 0.000 1.074 405 V CB 0.348 32.131 31.823 -0.067 0.000 0.958 405 V HN 0.511 nan 8.190 nan 0.000 0.481 406 A N 3.520 126.305 122.820 -0.058 0.000 2.295 406 A HA 0.453 4.773 4.320 -0.000 0.000 0.318 406 A C 0.895 178.444 177.584 -0.058 0.000 1.134 406 A CA -0.543 51.464 52.037 -0.051 0.000 0.827 406 A CB 0.427 19.399 19.000 -0.046 0.000 1.136 406 A HN 0.842 nan 8.150 nan 0.000 0.493 407 D N 1.390 121.761 120.400 -0.048 0.000 2.158 407 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 407 D C 2.016 178.281 176.300 -0.058 0.000 0.995 407 D CA 2.222 56.193 54.000 -0.048 0.000 0.846 407 D CB -0.067 40.712 40.800 -0.036 0.000 0.941 407 D HN 0.636 nan 8.370 nan 0.000 0.456 408 A N 0.512 123.299 122.820 -0.055 0.000 2.014 408 A HA -0.141 4.178 4.320 -0.000 0.000 0.218 408 A C 1.665 179.200 177.584 -0.081 0.000 1.163 408 A CA 1.292 53.294 52.037 -0.058 0.000 0.652 408 A CB -0.161 18.811 19.000 -0.046 0.000 0.808 408 A HN 0.047 nan 8.150 nan 0.000 0.449 409 D N -0.122 120.223 120.400 -0.093 0.000 2.144 409 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 409 D C 2.063 178.247 176.300 -0.192 0.000 0.978 409 D CA 1.322 55.246 54.000 -0.128 0.000 0.833 409 D CB -0.312 40.419 40.800 -0.114 0.000 0.961 409 D HN 0.252 nan 8.370 nan 0.000 0.470 410 V N 1.350 121.164 119.914 -0.167 0.000 2.307 410 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 410 V C 2.573 178.553 176.094 -0.190 0.000 1.045 410 V CA 1.008 63.189 62.300 -0.198 0.000 1.024 410 V CB -0.333 31.416 31.823 -0.122 0.000 0.651 410 V HN 0.149 nan 8.190 nan 0.000 0.449 411 I N 0.564 121.060 120.570 -0.123 0.000 2.208 411 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 411 I C 2.236 178.292 176.117 -0.101 0.000 1.097 411 I CA 2.015 63.262 61.300 -0.089 0.000 1.363 411 I CB -0.549 37.416 38.000 -0.058 0.000 1.051 411 I HN 0.424 nan 8.210 nan 0.000 0.413 412 N N 0.436 119.061 118.700 -0.124 0.000 2.244 412 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 412 N C 1.927 177.329 175.510 -0.179 0.000 1.016 412 N CA 0.949 53.930 53.050 -0.115 0.000 0.866 412 N CB -0.095 38.330 38.487 -0.103 0.000 0.980 412 N HN 0.334 nan 8.380 nan 0.000 0.430 413 A N 1.173 123.772 122.820 -0.369 0.000 1.898 413 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 413 A C 2.321 179.705 177.584 -0.333 0.000 1.181 413 A CA 1.493 53.084 52.037 -0.743 0.000 0.620 413 A CB -0.723 17.413 19.000 -1.440 0.000 0.819 413 A HN 0.323 nan 8.150 nan 0.000 0.442 414 A N 0.009 122.718 122.820 -0.185 0.000 1.902 414 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 414 A C 2.102 179.787 177.584 0.168 0.000 1.181 414 A CA 1.857 53.927 52.037 0.055 0.000 0.623 414 A CB -0.436 18.583 19.000 0.031 0.000 0.818 414 A HN 0.546 nan 8.150 nan 0.000 0.443 415 K N -0.418 120.021 120.400 0.065 0.000 2.057 415 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 415 K C 2.190 178.858 176.600 0.113 0.000 1.049 415 K CA 1.624 57.955 56.287 0.073 0.000 0.931 415 K CB -0.149 32.364 32.500 0.022 0.000 0.714 415 K HN 0.510 nan 8.250 nan 0.000 0.440 416 K N 0.491 120.969 120.400 0.130 0.000 2.097 416 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 416 K C 1.985 178.737 176.600 0.252 0.000 1.049 416 K CA 1.205 57.600 56.287 0.180 0.000 0.933 416 K CB -0.141 32.511 32.500 0.253 0.000 0.717 416 K HN 0.056 nan 8.250 nan 0.000 0.442 417 F N 0.851 120.945 119.950 0.240 0.000 2.084 417 F HA -0.165 4.362 4.527 -0.000 0.000 0.296 417 F C 1.743 177.699 175.800 0.260 0.000 1.111 417 F CA 1.253 59.438 58.000 0.308 0.000 1.224 417 F CB -0.517 38.766 39.000 0.471 0.000 0.991 417 F HN -0.213 nan 8.300 nan 0.000 0.471 418 V N 0.520 120.508 119.914 0.122 0.000 2.332 418 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 418 V C 2.524 178.608 176.094 -0.018 0.000 1.055 418 V CA 2.293 64.601 62.300 0.013 0.000 1.038 418 V CB -1.189 30.678 31.823 0.073 0.000 0.651 418 V HN 0.609 nan 8.190 nan 0.000 0.450 419 S N -0.311 115.393 115.700 0.006 0.000 2.528 419 S HA 0.197 4.667 4.470 -0.000 0.000 0.219 419 S C 1.152 175.742 174.600 -0.017 0.000 0.985 419 S CA 0.333 58.535 58.200 0.003 0.000 0.914 419 S CB -0.143 63.068 63.200 0.018 0.000 0.776 419 S HN 0.553 nan 8.310 nan 0.000 0.526 420 G N 1.390 110.165 108.800 -0.041 0.000 2.503 420 G HA2 0.401 4.361 3.960 -0.000 0.000 0.257 420 G HA3 0.401 4.361 3.960 -0.000 0.000 0.257 420 G C -0.411 174.449 174.900 -0.066 0.000 1.214 420 G CA -0.950 44.119 45.100 -0.051 0.000 0.839 420 G HN 0.480 nan 8.290 nan 0.000 0.559 421 R N 0.995 121.486 120.500 -0.014 0.000 2.522 421 R HA 0.102 4.442 4.340 -0.000 0.000 0.284 421 R C 0.119 176.450 176.300 0.051 0.000 1.032 421 R CA -0.027 56.089 56.100 0.027 0.000 1.049 421 R CB 0.348 30.707 30.300 0.099 0.000 0.956 421 R HN 0.265 nan 8.270 nan 0.000 0.422 422 K N 1.991 122.372 120.400 -0.032 0.000 2.090 422 K HA 0.305 4.625 4.320 -0.000 0.000 0.249 422 K C -0.572 175.994 176.600 -0.056 0.000 0.995 422 K CA -0.525 55.726 56.287 -0.059 0.000 0.914 422 K CB 1.871 34.267 32.500 -0.174 0.000 1.057 422 K HN 0.526 nan 8.250 nan 0.000 0.462 423 S N 0.953 116.613 115.700 -0.067 0.000 2.538 423 S HA 0.589 5.059 4.470 -0.000 0.000 0.288 423 S C -0.798 173.705 174.600 -0.162 0.000 1.108 423 S CA -0.748 57.367 58.200 -0.142 0.000 0.971 423 S CB 1.571 64.673 63.200 -0.163 0.000 1.041 423 S HN 0.591 nan 8.310 nan 0.000 0.483 424 M N 2.738 122.234 119.600 -0.173 0.000 2.484 424 M HA 0.793 5.273 4.480 -0.000 0.000 0.289 424 M C -2.058 174.137 176.300 -0.174 0.000 1.206 424 M CA -0.534 54.647 55.300 -0.197 0.000 0.892 424 M CB 1.898 34.379 32.600 -0.198 0.000 1.712 424 M HN 0.772 nan 8.290 nan 0.000 0.462 425 A N 2.642 125.346 122.820 -0.194 0.000 2.455 425 A HA 0.980 5.300 4.320 -0.000 0.000 0.300 425 A C -1.730 175.747 177.584 -0.178 0.000 1.040 425 A CA -0.305 51.641 52.037 -0.152 0.000 0.697 425 A CB 1.641 20.572 19.000 -0.115 0.000 1.265 425 A HN 1.156 nan 8.150 nan 0.000 0.407 426 A N 1.000 123.732 122.820 -0.147 0.000 2.572 426 A HA 0.943 5.263 4.320 -0.000 0.000 0.295 426 A C -0.407 177.114 177.584 -0.106 0.000 1.072 426 A CA 0.098 52.046 52.037 -0.148 0.000 0.691 426 A CB 1.464 20.358 19.000 -0.177 0.000 1.291 426 A HN 2.360 nan 8.150 nan 0.000 0.404 427 S N 0.289 115.940 115.700 -0.083 0.000 2.540 427 S HA 0.949 5.419 4.470 -0.000 0.000 0.275 427 S C -0.077 174.484 174.600 -0.066 0.000 1.123 427 S CA 0.236 58.382 58.200 -0.091 0.000 0.907 427 S CB 1.281 64.403 63.200 -0.130 0.000 1.081 427 S HN 2.849 nan 8.310 nan 0.000 0.476 428 G N 1.946 110.698 108.800 -0.079 0.000 2.293 428 G HA2 0.065 4.025 3.960 -0.000 0.000 0.282 428 G HA3 0.065 4.025 3.960 -0.000 0.000 0.282 428 G C -1.501 173.363 174.900 -0.060 0.000 1.299 428 G CA -0.791 44.276 45.100 -0.055 0.000 1.018 428 G HN 0.952 nan 8.290 nan 0.000 0.478 429 N N 1.087 119.756 118.700 -0.052 0.000 2.402 429 N HA 0.308 5.048 4.740 -0.000 0.000 0.252 429 N C 1.214 176.681 175.510 -0.071 0.000 1.118 429 N CA -0.303 52.710 53.050 -0.062 0.000 0.945 429 N CB 0.241 38.688 38.487 -0.066 0.000 1.147 429 N HN 0.481 nan 8.380 nan 0.000 0.495 430 L N 2.430 123.609 121.223 -0.073 0.000 2.653 430 L HA 0.227 4.567 4.340 -0.000 0.000 0.232 430 L C 2.057 178.891 176.870 -0.058 0.000 1.169 430 L CA -0.209 54.581 54.840 -0.084 0.000 0.951 430 L CB -0.197 41.789 42.059 -0.122 0.000 1.181 430 L HN 0.528 nan 8.230 nan 0.000 0.460 431 G N -0.604 108.160 108.800 -0.059 0.000 2.475 431 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 431 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 431 G C 1.118 176.101 174.900 0.138 0.000 1.125 431 G CA 0.693 45.781 45.100 -0.019 0.000 0.755 431 G HN 0.597 nan 8.290 nan 0.000 0.565 432 H N -0.994 118.059 119.070 -0.028 0.000 2.581 432 H HA 0.208 4.764 4.556 -0.000 0.000 0.275 432 H C -0.116 175.183 175.328 -0.048 0.000 1.126 432 H CA -0.488 55.545 56.048 -0.024 0.000 1.097 432 H CB 0.805 30.558 29.762 -0.016 0.000 1.626 432 H HN 0.107 nan 8.280 nan 0.000 0.565 433 T N 4.803 119.368 114.554 0.019 0.000 2.733 433 T HA 0.152 4.502 4.350 -0.000 0.000 0.294 433 T C -2.155 172.452 174.700 -0.156 0.000 0.956 433 T CA -1.358 60.694 62.100 -0.080 0.000 0.987 433 T CB 1.593 70.377 68.868 -0.140 0.000 0.920 433 T HN 0.225 nan 8.240 nan 0.000 0.470 434 P HA 0.288 nan 4.420 nan 0.000 0.274 434 P C -0.673 176.522 177.300 -0.175 0.000 1.237 434 P CA -0.508 62.556 63.100 -0.061 0.000 0.793 434 P CB 0.690 32.393 31.700 0.004 0.000 0.977 435 F N -0.212 119.710 119.950 -0.047 0.000 2.380 435 F HA 0.260 4.787 4.527 -0.000 0.000 0.321 435 F C 2.325 178.075 175.800 -0.083 0.000 1.103 435 F CA -0.483 57.479 58.000 -0.063 0.000 1.067 435 F CB 0.157 39.126 39.000 -0.050 0.000 1.265 435 F HN 0.197 nan 8.300 nan 0.000 0.517 436 I N 0.785 121.406 120.570 0.086 0.000 2.151 436 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 436 I C 1.881 177.992 176.117 -0.009 0.000 1.080 436 I CA 1.752 63.034 61.300 -0.029 0.000 1.339 436 I CB -0.398 37.567 38.000 -0.058 0.000 1.039 436 I HN 0.649 nan 8.210 nan 0.000 0.409 437 D N 0.488 120.908 120.400 0.034 0.000 2.392 437 D HA -0.177 4.463 4.640 -0.000 0.000 0.228 437 D C 1.257 177.574 176.300 0.029 0.000 1.003 437 D CA 0.824 54.832 54.000 0.013 0.000 0.917 437 D CB -0.508 40.286 40.800 -0.010 0.000 0.890 437 D HN 0.477 nan 8.370 nan 0.000 0.532 438 E N -0.383 119.852 120.200 0.057 0.000 2.501 438 E HA 0.233 4.583 4.350 -0.000 0.000 0.201 438 E C 0.456 177.086 176.600 0.050 0.000 1.016 438 E CA -0.242 56.194 56.400 0.060 0.000 0.920 438 E CB 0.740 30.499 29.700 0.099 0.000 1.023 438 E HN 0.319 nan 8.360 nan 0.000 0.474 439 L N 0.000 121.240 121.223 0.028 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.865 54.840 0.042 0.000 0.813 439 L CB 0.000 41.956 42.059 -0.171 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502