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 1w5e_1_C DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIYGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RK 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.602 174.600 0.003 0.000 1.055 23 S CA 0.000 58.202 58.200 0.003 0.000 1.107 23 S CB 0.000 63.201 63.200 0.001 0.000 0.593 24 P HA -0.014 nan 4.420 nan 0.000 0.216 24 P C 0.891 178.194 177.300 0.006 0.000 1.150 24 P CA 1.277 64.377 63.100 0.001 0.000 0.837 24 P CB -0.026 31.674 31.700 0.000 0.000 0.786 25 E N -0.721 119.487 120.200 0.013 0.000 2.333 25 E HA -0.144 4.206 4.350 0.000 0.000 0.198 25 E C 1.276 177.891 176.600 0.025 0.000 1.007 25 E CA 0.868 57.283 56.400 0.024 0.000 0.845 25 E CB -0.614 29.101 29.700 0.024 0.000 0.766 25 E HN 0.377 nan 8.360 nan 0.000 0.507 26 D N -0.250 120.159 120.400 0.015 0.000 2.348 26 D HA -0.016 4.624 4.640 0.000 0.000 0.211 26 D C 1.257 177.562 176.300 0.009 0.000 0.998 26 D CA 0.472 54.480 54.000 0.014 0.000 0.873 26 D CB 0.281 41.087 40.800 0.009 0.000 0.925 26 D HN 0.227 nan 8.370 nan 0.000 0.524 27 K N 0.821 121.222 120.400 0.001 0.000 2.202 27 K HA -0.003 4.317 4.320 0.000 0.000 0.201 27 K C 1.875 178.462 176.600 -0.022 0.000 1.051 27 K CA 0.006 56.286 56.287 -0.011 0.000 0.977 27 K CB 0.160 32.649 32.500 -0.019 0.000 0.792 27 K HN 0.037 nan 8.250 nan 0.000 0.469 28 E N 1.711 121.901 120.200 -0.017 0.000 2.233 28 E HA -0.206 4.144 4.350 0.000 0.000 0.199 28 E C 1.849 178.448 176.600 -0.003 0.000 1.004 28 E CA 0.712 57.090 56.400 -0.037 0.000 0.819 28 E CB 0.115 29.836 29.700 0.036 0.000 0.738 28 E HN 0.123 nan 8.360 nan 0.000 0.478 29 L N 0.857 122.103 121.223 0.039 0.000 1.994 29 L HA -0.201 4.139 4.340 0.000 0.000 0.208 29 L C 2.603 179.491 176.870 0.031 0.000 1.071 29 L CA 1.111 55.988 54.840 0.062 0.000 0.745 29 L CB -1.278 40.808 42.059 0.045 0.000 0.892 29 L HN 0.396 nan 8.230 nan 0.000 0.431 30 L N 0.283 121.506 121.223 -0.000 0.000 2.261 30 L HA -0.215 4.125 4.340 0.000 0.000 0.216 30 L C 2.471 179.318 176.870 -0.038 0.000 1.114 30 L CA 1.746 56.578 54.840 -0.013 0.000 0.777 30 L CB -0.709 41.338 42.059 -0.020 0.000 0.910 30 L HN 0.424 nan 8.230 nan 0.000 0.440 31 E N -0.713 119.436 120.200 -0.085 0.000 2.042 31 E HA -0.207 4.143 4.350 0.000 0.000 0.189 31 E C 2.040 178.537 176.600 -0.171 0.000 0.974 31 E CA 1.129 57.420 56.400 -0.182 0.000 0.806 31 E CB -0.232 29.270 29.700 -0.330 0.000 0.769 31 E HN 0.490 nan 8.360 nan 0.000 0.451 32 Y N 0.736 121.031 120.300 -0.007 0.000 2.457 32 Y HA 0.106 4.656 4.550 -0.000 0.000 0.292 32 Y C 1.910 177.806 175.900 -0.008 0.000 1.125 32 Y CA 0.376 58.470 58.100 -0.009 0.000 1.254 32 Y CB -0.091 38.364 38.460 -0.008 0.000 1.012 32 Y HN -0.002 nan 8.280 nan 0.000 0.555 33 L N 0.722 122.024 121.223 0.131 0.000 2.798 33 L HA -0.094 4.246 4.340 0.000 0.000 0.254 33 L C 1.257 178.159 176.870 0.054 0.000 1.176 33 L CA 0.367 55.254 54.840 0.078 0.000 0.991 33 L CB -0.193 41.897 42.059 0.051 0.000 1.225 33 L HN 0.299 nan 8.230 nan 0.000 0.420 34 Q N -0.778 119.060 119.800 0.063 0.000 2.580 34 Q HA -0.013 4.327 4.340 0.000 0.000 0.239 34 Q C 0.786 176.812 176.000 0.043 0.000 0.873 34 Q CA 0.028 55.853 55.803 0.037 0.000 0.951 34 Q CB 0.071 28.817 28.738 0.013 0.000 1.172 34 Q HN 0.288 nan 8.270 nan 0.000 0.616 35 Q N 1.579 121.423 119.800 0.075 0.000 2.406 35 Q HA -0.218 4.122 4.340 0.000 0.000 0.339 35 Q C 0.644 176.650 176.000 0.011 0.000 1.337 35 Q CA 1.151 56.984 55.803 0.050 0.000 0.985 35 Q CB -1.794 26.960 28.738 0.027 0.000 1.216 35 Q HN 0.347 nan 8.270 nan 0.000 0.415 36 T N -1.044 113.518 114.554 0.013 0.000 2.736 36 T HA -0.252 4.098 4.350 0.000 0.000 0.265 36 T C 0.471 175.156 174.700 -0.026 0.000 1.031 36 T CA 2.091 64.188 62.100 -0.005 0.000 1.155 36 T CB 0.020 68.884 68.868 -0.006 0.000 0.849 36 T HN 0.512 nan 8.240 nan 0.000 0.471 37 K N -0.840 119.533 120.400 -0.045 0.000 2.532 37 K HA 0.640 4.960 4.320 0.000 0.000 0.265 37 K C -1.412 175.094 176.600 -0.158 0.000 0.948 37 K CA -0.614 55.620 56.287 -0.089 0.000 0.842 37 K CB 1.909 34.370 32.500 -0.065 0.000 1.392 37 K HN 0.102 nan 8.250 nan 0.000 0.436 38 A N 2.427 125.072 122.820 -0.291 0.000 2.340 38 A HA 0.345 4.666 4.320 0.000 0.000 0.268 38 A C -0.757 176.657 177.584 -0.283 0.000 1.100 38 A CA -0.310 51.447 52.037 -0.467 0.000 0.803 38 A CB 0.348 18.646 19.000 -1.170 0.000 1.043 38 A HN 0.645 nan 8.150 nan 0.000 0.488 39 K N 2.448 122.720 120.400 -0.213 0.000 2.250 39 K HA 0.300 4.620 4.320 0.000 0.000 0.280 39 K C -0.722 175.848 176.600 -0.050 0.000 1.098 39 K CA -0.193 56.034 56.287 -0.100 0.000 0.916 39 K CB 0.329 32.791 32.500 -0.063 0.000 1.209 39 K HN 0.484 nan 8.250 nan 0.000 0.461 40 I N 2.205 122.772 120.570 -0.006 0.000 2.440 40 I HA 0.250 4.420 4.170 0.000 0.000 0.294 40 I C 0.343 176.519 176.117 0.099 0.000 0.995 40 I CA -0.418 60.938 61.300 0.094 0.000 1.306 40 I CB 1.393 39.487 38.000 0.158 0.000 1.407 40 I HN 0.415 nan 8.210 nan 0.000 0.501 41 T N 4.666 119.311 114.554 0.151 0.000 3.050 41 T HA 0.349 4.699 4.350 0.000 0.000 0.310 41 T C -0.382 174.423 174.700 0.174 0.000 0.978 41 T CA -0.406 61.765 62.100 0.117 0.000 1.013 41 T CB 1.724 70.633 68.868 0.069 0.000 1.000 41 T HN 0.212 nan 8.240 nan 0.000 0.447 42 V N 4.172 124.166 119.914 0.133 0.000 2.385 42 V HA 0.385 4.505 4.120 0.000 0.000 0.269 42 V C 0.105 176.247 176.094 0.081 0.000 1.043 42 V CA -0.520 61.856 62.300 0.126 0.000 0.906 42 V CB 1.100 32.934 31.823 0.019 0.000 0.995 42 V HN 0.703 nan 8.190 nan 0.000 0.467 43 V N 4.265 124.236 119.914 0.095 0.000 2.417 43 V HA 0.754 4.874 4.120 0.000 0.000 0.291 43 V C 0.656 176.779 176.094 0.048 0.000 1.024 43 V CA -0.346 61.989 62.300 0.059 0.000 0.861 43 V CB 1.757 33.613 31.823 0.054 0.000 0.985 43 V HN 0.913 nan 8.190 nan 0.000 0.436 44 G N 2.949 111.765 108.800 0.026 0.000 2.487 44 G HA2 0.518 4.478 3.960 0.000 0.000 0.314 44 G HA3 0.518 4.478 3.960 0.000 0.000 0.314 44 G C -0.680 174.225 174.900 0.007 0.000 1.267 44 G CA -0.325 44.783 45.100 0.014 0.000 0.937 44 G HN 0.775 nan 8.290 nan 0.000 0.481 45 C N 1.719 121.023 119.300 0.006 0.000 2.303 45 C HA 0.963 5.423 4.460 0.000 0.000 0.326 45 C C 0.956 175.941 174.990 -0.009 0.000 1.285 45 C CA 0.302 59.321 59.018 0.001 0.000 1.675 45 C CB 0.035 27.779 27.740 0.007 0.000 2.289 45 C HN 1.567 nan 8.230 nan 0.000 0.512 46 G N 2.571 111.365 108.800 -0.011 0.000 2.746 46 G HA2 0.217 4.177 3.960 0.000 0.000 0.685 46 G HA3 0.217 4.177 3.960 0.000 0.000 0.685 46 G C 0.699 175.582 174.900 -0.028 0.000 1.350 46 G CA -0.146 44.943 45.100 -0.018 0.000 0.837 46 G HN 1.362 nan 8.290 nan 0.000 0.564 47 G N -0.059 108.721 108.800 -0.034 0.000 2.503 47 G HA2 0.144 4.104 3.960 0.000 0.000 0.221 47 G HA3 0.144 4.104 3.960 0.000 0.000 0.221 47 G C 2.097 176.957 174.900 -0.066 0.000 1.131 47 G CA 3.037 48.111 45.100 -0.043 0.000 0.756 47 G HN 2.062 nan 8.290 nan 0.000 0.572 48 A N 0.687 123.454 122.820 -0.088 0.000 1.873 48 A HA 0.225 4.545 4.320 0.000 0.000 0.215 48 A C 2.725 180.266 177.584 -0.073 0.000 1.186 48 A CA 2.025 53.993 52.037 -0.114 0.000 0.616 48 A CB -1.012 17.905 19.000 -0.138 0.000 0.823 48 A HN 0.525 nan 8.150 nan 0.000 0.442 49 G N -0.136 108.635 108.800 -0.049 0.000 2.402 49 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 49 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 49 G C 1.365 176.250 174.900 -0.025 0.000 1.162 49 G CA 1.126 46.209 45.100 -0.029 0.000 0.777 49 G HN 0.535 nan 8.290 nan 0.000 0.539 50 N N 0.867 119.552 118.700 -0.025 0.000 2.104 50 N HA -0.128 4.613 4.740 0.000 0.000 0.190 50 N C 1.977 177.473 175.510 -0.023 0.000 1.024 50 N CA 1.368 54.406 53.050 -0.019 0.000 0.853 50 N CB -0.419 38.057 38.487 -0.018 0.000 1.008 50 N HN 0.381 nan 8.380 nan 0.000 0.424 51 N N -0.180 118.500 118.700 -0.034 0.000 2.069 51 N HA -0.103 4.637 4.740 0.000 0.000 0.191 51 N C 1.362 176.854 175.510 -0.030 0.000 1.031 51 N CA 1.791 54.821 53.050 -0.034 0.000 0.852 51 N CB -0.492 37.964 38.487 -0.052 0.000 1.018 51 N HN 0.118 nan 8.380 nan 0.000 0.423 52 T N 1.114 115.648 114.554 -0.034 0.000 2.708 52 T HA -0.051 4.299 4.350 0.000 0.000 0.266 52 T C 1.788 176.473 174.700 -0.026 0.000 1.037 52 T CA 0.954 63.035 62.100 -0.030 0.000 1.146 52 T CB -0.181 68.668 68.868 -0.032 0.000 0.865 52 T HN 0.151 nan 8.240 nan 0.000 0.435 53 I N 1.842 122.399 120.570 -0.021 0.000 2.151 53 I HA -0.190 3.980 4.170 0.000 0.000 0.243 53 I C 2.670 178.777 176.117 -0.017 0.000 1.080 53 I CA 1.627 62.917 61.300 -0.017 0.000 1.339 53 I CB -1.875 36.120 38.000 -0.009 0.000 1.039 53 I HN 0.264 nan 8.210 nan 0.000 0.409 54 T N 0.688 115.233 114.554 -0.015 0.000 2.699 54 T HA -0.229 4.121 4.350 0.000 0.000 0.268 54 T C 2.127 176.819 174.700 -0.014 0.000 1.036 54 T CA 1.345 63.437 62.100 -0.012 0.000 1.147 54 T CB -0.184 68.678 68.868 -0.011 0.000 0.862 54 T HN 0.253 nan 8.240 nan 0.000 0.446 55 R N 0.330 120.821 120.500 -0.016 0.000 2.073 55 R HA 0.028 4.368 4.340 0.000 0.000 0.234 55 R C 2.538 178.826 176.300 -0.020 0.000 1.134 55 R CA 1.087 57.177 56.100 -0.017 0.000 0.952 55 R CB -0.691 29.597 30.300 -0.019 0.000 0.850 55 R HN 0.410 nan 8.270 nan 0.000 0.433 56 L N 0.685 121.893 121.223 -0.026 0.000 2.079 56 L HA -0.229 4.111 4.340 0.000 0.000 0.210 56 L C 2.550 179.406 176.870 -0.023 0.000 1.081 56 L CA 1.389 56.210 54.840 -0.031 0.000 0.752 56 L CB -0.426 41.608 42.059 -0.042 0.000 0.896 56 L HN 0.090 nan 8.230 nan 0.000 0.433 57 K N 0.501 120.890 120.400 -0.018 0.000 2.001 57 K HA -0.129 4.191 4.320 0.000 0.000 0.208 57 K C 2.076 178.670 176.600 -0.011 0.000 1.048 57 K CA 1.647 57.926 56.287 -0.013 0.000 0.932 57 K CB -0.195 32.300 32.500 -0.010 0.000 0.715 57 K HN 0.077 nan 8.250 nan 0.000 0.437 58 M N 0.276 119.870 119.600 -0.010 0.000 2.067 58 M HA -0.147 4.333 4.480 0.000 0.000 0.260 58 M C 1.953 178.247 176.300 -0.009 0.000 1.069 58 M CA 1.876 57.171 55.300 -0.008 0.000 1.117 58 M CB -0.377 32.218 32.600 -0.008 0.000 1.334 58 M HN 0.202 nan 8.290 nan 0.000 0.407 59 E N 0.151 120.345 120.200 -0.011 0.000 2.472 59 E HA 0.068 4.418 4.350 0.000 0.000 0.200 59 E C 0.340 176.933 176.600 -0.012 0.000 1.046 59 E CA 0.156 56.549 56.400 -0.012 0.000 0.871 59 E CB -0.105 29.587 29.700 -0.015 0.000 0.806 59 E HN 0.620 nan 8.360 nan 0.000 0.533 60 G N 1.867 110.660 108.800 -0.012 0.000 3.396 60 G HA2 -0.238 3.722 3.960 0.000 0.000 0.682 60 G HA3 -0.238 3.722 3.960 0.000 0.000 0.682 60 G C -0.754 174.137 174.900 -0.015 0.000 0.924 60 G CA -0.349 44.744 45.100 -0.011 0.000 0.770 60 G HN 0.151 nan 8.290 nan 0.000 0.484 61 I N 1.825 122.384 120.570 -0.018 0.000 2.354 61 I HA 0.523 4.693 4.170 0.000 0.000 0.286 61 I C 0.441 176.548 176.117 -0.017 0.000 1.007 61 I CA -1.227 60.058 61.300 -0.025 0.000 1.167 61 I CB 1.314 39.291 38.000 -0.038 0.000 1.320 61 I HN 0.612 nan 8.210 nan 0.000 0.458 62 E N 5.800 125.993 120.200 -0.012 0.000 2.417 62 E HA 0.314 4.664 4.350 0.000 0.000 0.261 62 E C 1.137 177.733 176.600 -0.007 0.000 1.000 62 E CA 0.916 57.313 56.400 -0.006 0.000 0.919 62 E CB 0.285 29.985 29.700 0.001 0.000 0.955 62 E HN 0.984 nan 8.360 nan 0.000 0.455 63 G N 2.852 111.647 108.800 -0.007 0.000 2.233 63 G HA2 -0.268 3.692 3.960 0.000 0.000 0.270 63 G HA3 -0.268 3.692 3.960 0.000 0.000 0.270 63 G C -0.054 174.845 174.900 -0.003 0.000 1.011 63 G CA 0.416 45.511 45.100 -0.009 0.000 0.762 63 G HN 0.709 nan 8.290 nan 0.000 0.511 64 A N -0.576 122.243 122.820 -0.002 0.000 2.374 64 A HA 0.764 5.084 4.320 0.000 0.000 0.305 64 A C -0.005 177.584 177.584 0.007 0.000 1.053 64 A CA -0.159 51.884 52.037 0.009 0.000 0.726 64 A CB 1.251 20.248 19.000 -0.005 0.000 1.229 64 A HN 0.541 nan 8.150 nan 0.000 0.431 65 K N 1.813 122.224 120.400 0.019 0.000 2.234 65 K HA 0.463 4.783 4.320 0.000 0.000 0.282 65 K C -0.290 176.322 176.600 0.020 0.000 1.039 65 K CA 0.020 56.316 56.287 0.016 0.000 0.928 65 K CB 0.598 33.108 32.500 0.017 0.000 1.039 65 K HN 0.764 nan 8.250 nan 0.000 0.470 66 T N 0.329 114.890 114.554 0.011 0.000 2.771 66 T HA 0.448 4.798 4.350 0.000 0.000 0.281 66 T C -0.395 174.312 174.700 0.012 0.000 0.982 66 T CA -0.841 61.266 62.100 0.010 0.000 0.978 66 T CB 1.306 70.173 68.868 -0.001 0.000 0.930 66 T HN 0.200 nan 8.240 nan 0.000 0.447 67 V N 2.248 122.172 119.914 0.018 0.000 2.604 67 V HA 0.825 4.945 4.120 0.000 0.000 0.305 67 V C -0.084 176.017 176.094 0.013 0.000 1.043 67 V CA -0.997 61.312 62.300 0.015 0.000 0.888 67 V CB 1.681 33.515 31.823 0.019 0.000 0.995 67 V HN 1.273 nan 8.190 nan 0.000 0.429 68 A N 6.347 129.171 122.820 0.007 0.000 2.332 68 A HA 0.872 5.192 4.320 0.000 0.000 0.300 68 A C -0.717 176.868 177.584 0.003 0.000 1.153 68 A CA -0.488 51.552 52.037 0.004 0.000 0.764 68 A CB 0.854 19.854 19.000 -0.000 0.000 1.174 68 A HN 1.009 nan 8.150 nan 0.000 0.467 69 I N 0.439 121.011 120.570 0.004 0.000 2.433 69 I HA 0.705 4.875 4.170 0.000 0.000 0.292 69 I C -0.642 175.475 176.117 0.000 0.000 1.001 69 I CA -0.589 60.712 61.300 0.003 0.000 1.119 69 I CB 1.865 39.867 38.000 0.004 0.000 1.289 69 I HN 0.669 nan 8.210 nan 0.000 0.438 70 N N 2.688 121.388 118.700 -0.001 0.000 2.647 70 N HA 0.370 5.110 4.740 0.000 0.000 0.266 70 N C -0.261 175.248 175.510 -0.000 0.000 1.373 70 N CA -0.623 52.426 53.050 -0.002 0.000 0.807 70 N CB 2.703 41.187 38.487 -0.004 0.000 1.513 70 N HN 0.680 nan 8.380 nan 0.000 0.505 71 T N -0.926 113.628 114.554 -0.000 0.000 3.044 71 T HA 0.127 4.477 4.350 0.000 0.000 0.260 71 T C -1.094 173.607 174.700 0.002 0.000 1.019 71 T CA 0.080 62.180 62.100 0.001 0.000 0.921 71 T CB -0.159 68.710 68.868 0.002 0.000 1.053 71 T HN 0.403 nan 8.240 nan 0.000 0.533 72 D N 1.039 121.439 120.400 0.001 0.000 2.460 72 D HA 0.512 5.152 4.640 0.000 0.000 0.232 72 D C 1.194 177.494 176.300 0.001 0.000 1.079 72 D CA -0.148 53.853 54.000 0.001 0.000 0.864 72 D CB 1.596 42.397 40.800 0.001 0.000 1.048 72 D HN 0.192 nan 8.370 nan 0.000 0.523 73 A N 4.116 126.936 122.820 0.002 0.000 1.859 73 A HA -0.267 4.053 4.320 0.000 0.000 0.217 73 A C 1.945 179.530 177.584 0.001 0.000 1.198 73 A CA 1.855 53.893 52.037 0.001 0.000 0.629 73 A CB -0.650 18.351 19.000 0.002 0.000 0.830 73 A HN 0.729 nan 8.150 nan 0.000 0.446 74 Q N -1.058 118.743 119.800 0.002 0.000 2.133 74 Q HA -0.325 4.015 4.340 0.000 0.000 0.208 74 Q C 2.311 178.312 176.000 0.001 0.000 0.991 74 Q CA 2.292 58.096 55.803 0.002 0.000 0.867 74 Q CB -0.175 28.566 28.738 0.004 0.000 0.911 74 Q HN 0.824 nan 8.270 nan 0.000 0.417 75 Q N -0.428 119.373 119.800 0.000 0.000 2.079 75 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 75 Q C 2.105 178.103 176.000 -0.003 0.000 0.974 75 Q CA 1.102 56.904 55.803 -0.002 0.000 0.840 75 Q CB -0.021 28.714 28.738 -0.004 0.000 0.898 75 Q HN 0.349 nan 8.270 nan 0.000 0.430 76 L N 0.602 121.824 121.223 -0.002 0.000 2.131 76 L HA -0.185 4.155 4.340 0.000 0.000 0.210 76 L C 1.845 178.714 176.870 -0.002 0.000 1.092 76 L CA 1.258 56.096 54.840 -0.002 0.000 0.759 76 L CB -0.356 41.702 42.059 -0.001 0.000 0.903 76 L HN 0.273 nan 8.230 nan 0.000 0.435 77 I N 0.556 121.125 120.570 -0.001 0.000 2.090 77 I HA -0.272 3.898 4.170 0.000 0.000 0.236 77 I C 2.171 178.288 176.117 -0.001 0.000 1.064 77 I CA 1.599 62.899 61.300 -0.000 0.000 1.324 77 I CB -1.109 36.891 38.000 0.001 0.000 1.044 77 I HN 0.444 nan 8.210 nan 0.000 0.399 78 R N 0.854 121.354 120.500 -0.001 0.000 2.386 78 R HA 0.060 4.400 4.340 0.000 0.000 0.216 78 R C -0.221 176.077 176.300 -0.002 0.000 1.119 78 R CA 0.283 56.382 56.100 -0.001 0.000 1.158 78 R CB -0.889 29.411 30.300 0.000 0.000 1.057 78 R HN 0.149 nan 8.270 nan 0.000 0.489 79 T N 1.145 115.697 114.554 -0.003 0.000 2.824 79 T HA 0.285 4.635 4.350 0.000 0.000 0.280 79 T C -0.593 174.104 174.700 -0.004 0.000 0.995 79 T CA -0.694 61.404 62.100 -0.005 0.000 1.009 79 T CB 1.965 70.829 68.868 -0.006 0.000 0.955 79 T HN 0.132 nan 8.240 nan 0.000 0.452 80 K N 2.046 122.443 120.400 -0.005 0.000 2.240 80 K HA 0.751 5.071 4.320 0.000 0.000 0.271 80 K C -0.655 175.942 176.600 -0.005 0.000 1.018 80 K CA -0.579 55.705 56.287 -0.004 0.000 0.874 80 K CB 1.550 34.047 32.500 -0.005 0.000 1.098 80 K HN 0.714 nan 8.250 nan 0.000 0.458 81 A N 2.211 125.029 122.820 -0.003 0.000 2.610 81 A HA 0.261 4.581 4.320 0.000 0.000 0.291 81 A C -0.322 177.262 177.584 -0.001 0.000 1.086 81 A CA -0.741 51.295 52.037 -0.002 0.000 0.677 81 A CB 0.983 19.983 19.000 -0.001 0.000 1.278 81 A HN 0.637 nan 8.150 nan 0.000 0.414 82 D N -0.010 120.390 120.400 0.000 0.000 2.117 82 D HA -0.006 4.634 4.640 0.000 0.000 0.198 82 D C 0.346 176.647 176.300 0.002 0.000 0.982 82 D CA 1.742 55.743 54.000 0.001 0.000 0.828 82 D CB 0.206 41.008 40.800 0.002 0.000 0.967 82 D HN 0.362 nan 8.370 nan 0.000 0.464 83 K N 0.459 120.861 120.400 0.003 0.000 2.507 83 K HA 0.308 4.628 4.320 0.000 0.000 0.251 83 K C -1.206 175.395 176.600 0.003 0.000 0.943 83 K CA -0.517 55.772 56.287 0.003 0.000 0.794 83 K CB 1.891 34.393 32.500 0.004 0.000 1.188 83 K HN -0.293 nan 8.250 nan 0.000 0.428 84 K N 3.737 124.138 120.400 0.002 0.000 2.208 84 K HA 0.630 4.950 4.320 0.000 0.000 0.247 84 K C -0.599 176.002 176.600 0.001 0.000 0.953 84 K CA -0.926 55.362 56.287 0.001 0.000 0.837 84 K CB 1.562 34.062 32.500 0.000 0.000 1.131 84 K HN 0.516 nan 8.250 nan 0.000 0.431 85 I N 2.567 123.138 120.570 0.001 0.000 2.610 85 I HA 0.154 4.324 4.170 0.000 0.000 0.289 85 I C -1.405 174.713 176.117 0.001 0.000 1.163 85 I CA -0.887 60.414 61.300 0.001 0.000 1.044 85 I CB 1.914 39.915 38.000 0.002 0.000 1.251 85 I HN 0.310 nan 8.210 nan 0.000 0.424 86 L N 8.108 129.331 121.223 0.001 0.000 2.270 86 L HA 0.538 4.878 4.340 0.000 0.000 0.286 86 L C -0.064 176.807 176.870 0.001 0.000 1.059 86 L CA -0.172 54.669 54.840 0.001 0.000 0.839 86 L CB 0.441 42.500 42.059 0.001 0.000 1.221 86 L HN 0.459 nan 8.230 nan 0.000 0.431 87 I N 1.660 122.231 120.570 0.001 0.000 2.677 87 I HA 0.721 4.891 4.170 0.000 0.000 0.305 87 I C 1.060 177.177 176.117 0.001 0.000 0.988 87 I CA -0.351 60.949 61.300 0.001 0.000 1.260 87 I CB 1.208 39.208 38.000 0.001 0.000 1.410 87 I HN 0.772 nan 8.210 nan 0.000 0.523 88 G N 3.830 112.631 108.800 0.001 0.000 2.314 88 G HA2 -0.223 3.737 3.960 0.000 0.000 0.292 88 G HA3 -0.223 3.737 3.960 0.000 0.000 0.292 88 G C 0.692 175.593 174.900 0.002 0.000 1.059 88 G CA 0.218 45.319 45.100 0.002 0.000 0.982 88 G HN 0.778 nan 8.290 nan 0.000 0.505 89 K N -0.136 120.265 120.400 0.001 0.000 2.020 89 K HA -0.119 4.201 4.320 0.000 0.000 0.212 89 K C 2.528 179.129 176.600 0.002 0.000 1.050 89 K CA 1.884 58.172 56.287 0.002 0.000 0.929 89 K CB -0.266 32.235 32.500 0.001 0.000 0.714 89 K HN 0.459 nan 8.250 nan 0.000 0.443 90 K N 0.955 121.356 120.400 0.002 0.000 1.970 90 K HA -0.128 4.192 4.320 0.000 0.000 0.225 90 K C 2.220 178.822 176.600 0.003 0.000 1.045 90 K CA 1.042 57.331 56.287 0.002 0.000 1.002 90 K CB -1.003 31.498 32.500 0.002 0.000 0.743 90 K HN -0.092 nan 8.250 nan 0.000 0.445 91 L N 0.290 121.515 121.223 0.003 0.000 2.012 91 L HA -0.258 4.082 4.340 0.000 0.000 0.236 91 L C 0.978 177.851 176.870 0.004 0.000 1.099 91 L CA 1.912 56.755 54.840 0.004 0.000 0.821 91 L CB -1.747 40.315 42.059 0.004 0.000 0.918 91 L HN 0.225 nan 8.230 nan 0.000 0.445 92 T N 1.228 115.785 114.554 0.004 0.000 2.780 92 T HA 0.204 4.554 4.350 0.000 0.000 0.294 92 T C 0.662 175.364 174.700 0.004 0.000 0.949 92 T CA -0.629 61.474 62.100 0.005 0.000 1.074 92 T CB 0.781 69.652 68.868 0.005 0.000 0.910 92 T HN 0.099 nan 8.240 nan 0.000 0.501 93 R N 2.436 122.939 120.500 0.004 0.000 4.464 93 R HA 0.235 4.575 4.340 0.000 0.000 0.229 93 R C 1.465 177.768 176.300 0.004 0.000 1.916 93 R CA -0.238 55.864 56.100 0.004 0.000 1.601 93 R CB -1.155 29.148 30.300 0.004 0.000 1.315 93 R HN 1.088 nan 8.270 nan 0.000 0.725 94 G N 0.449 109.251 108.800 0.003 0.000 2.179 94 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 94 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 94 G C 0.521 175.424 174.900 0.004 0.000 1.010 94 G CA 0.202 45.304 45.100 0.003 0.000 0.736 94 G HN 0.490 nan 8.290 nan 0.000 0.513 95 L N -0.138 121.088 121.223 0.005 0.000 2.693 95 L HA 0.517 4.857 4.340 0.000 0.000 0.235 95 L C 1.400 178.274 176.870 0.006 0.000 1.127 95 L CA 0.318 55.161 54.840 0.006 0.000 0.914 95 L CB 0.056 42.119 42.059 0.006 0.000 1.193 95 L HN 1.054 nan 8.230 nan 0.000 0.502 96 G N -0.092 108.711 108.800 0.006 0.000 2.629 96 G HA2 -0.035 3.926 3.960 0.000 0.000 0.686 96 G HA3 -0.035 3.926 3.960 0.000 0.000 0.686 96 G C 0.134 175.038 174.900 0.007 0.000 1.232 96 G CA -0.386 44.718 45.100 0.006 0.000 0.803 96 G HN 0.072 nan 8.290 nan 0.000 0.638 97 A N 0.204 123.028 122.820 0.007 0.000 2.278 97 A HA 0.608 4.928 4.320 0.000 0.000 0.212 97 A C 2.346 179.937 177.584 0.011 0.000 1.213 97 A CA 1.542 53.584 52.037 0.008 0.000 0.840 97 A CB -0.719 18.285 19.000 0.008 0.000 0.866 97 A HN 2.953 nan 8.150 nan 0.000 0.489 98 G N -1.022 107.786 108.800 0.012 0.000 2.341 98 G HA2 0.084 4.044 3.960 0.000 0.000 0.292 98 G HA3 0.084 4.044 3.960 0.000 0.000 0.292 98 G C 1.433 176.343 174.900 0.017 0.000 1.021 98 G CA 0.827 45.936 45.100 0.015 0.000 0.905 98 G HN 2.051 nan 8.290 nan 0.000 0.508 99 G N -1.048 107.762 108.800 0.017 0.000 2.166 99 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 99 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 99 G C 0.321 175.231 174.900 0.016 0.000 0.986 99 G CA 0.778 45.889 45.100 0.019 0.000 0.683 99 G HN 1.477 nan 8.290 nan 0.000 0.527 100 N N 0.730 119.438 118.700 0.014 0.000 2.500 100 N HA 0.387 5.127 4.740 0.000 0.000 0.236 100 N C -0.863 174.654 175.510 0.012 0.000 1.022 100 N CA -1.949 51.109 53.050 0.013 0.000 0.935 100 N CB 1.542 40.036 38.487 0.012 0.000 1.147 100 N HN 0.000 nan 8.380 nan 0.000 0.512 101 P HA -0.157 nan 4.420 nan 0.000 0.216 101 P C 0.904 178.213 177.300 0.014 0.000 1.153 101 P CA 1.713 64.820 63.100 0.013 0.000 0.858 101 P CB 0.397 32.105 31.700 0.013 0.000 0.789 102 K N -0.745 119.663 120.400 0.014 0.000 2.044 102 K HA -0.161 4.159 4.320 0.000 0.000 0.210 102 K C 1.952 178.559 176.600 0.012 0.000 1.049 102 K CA 1.384 57.679 56.287 0.014 0.000 0.927 102 K CB -0.782 31.726 32.500 0.013 0.000 0.713 102 K HN 0.092 nan 8.250 nan 0.000 0.443 103 I N 0.956 121.532 120.570 0.011 0.000 2.264 103 I HA -0.177 3.993 4.170 0.000 0.000 0.248 103 I C 2.478 178.600 176.117 0.008 0.000 1.111 103 I CA 1.604 62.909 61.300 0.009 0.000 1.382 103 I CB -1.822 36.183 38.000 0.008 0.000 1.060 103 I HN 0.300 nan 8.210 nan 0.000 0.418 104 G N 0.486 109.292 108.800 0.009 0.000 2.453 104 G HA2 -0.282 3.678 3.960 0.000 0.000 0.215 104 G HA3 -0.282 3.678 3.960 0.000 0.000 0.215 104 G C 1.583 176.488 174.900 0.010 0.000 1.201 104 G CA 0.840 45.945 45.100 0.009 0.000 0.784 104 G HN 0.488 nan 8.290 nan 0.000 0.545 105 E N 0.365 120.573 120.200 0.013 0.000 2.049 105 E HA -0.239 4.111 4.350 0.000 0.000 0.198 105 E C 2.247 178.853 176.600 0.009 0.000 1.007 105 E CA 1.644 58.053 56.400 0.014 0.000 0.809 105 E CB -0.291 29.421 29.700 0.020 0.000 0.749 105 E HN 0.620 nan 8.360 nan 0.000 0.450 106 E N -0.067 120.138 120.200 0.009 0.000 2.038 106 E HA -0.241 4.109 4.350 0.000 0.000 0.195 106 E C 2.026 178.628 176.600 0.004 0.000 1.000 106 E CA 1.244 57.648 56.400 0.006 0.000 0.803 106 E CB -0.286 29.418 29.700 0.006 0.000 0.750 106 E HN 0.368 nan 8.360 nan 0.000 0.448 107 A N 1.137 123.960 122.820 0.004 0.000 1.948 107 A HA -0.224 4.096 4.320 0.000 0.000 0.220 107 A C 2.349 179.934 177.584 0.001 0.000 1.177 107 A CA 2.147 54.186 52.037 0.003 0.000 0.636 107 A CB -0.876 18.126 19.000 0.004 0.000 0.815 107 A HN 0.463 nan 8.150 nan 0.000 0.449 108 A N 0.007 122.828 122.820 0.002 0.000 1.835 108 A HA -0.170 4.150 4.320 0.000 0.000 0.215 108 A C 2.094 179.675 177.584 -0.005 0.000 1.199 108 A CA 1.803 53.840 52.037 -0.001 0.000 0.615 108 A CB -0.561 18.440 19.000 0.001 0.000 0.838 108 A HN 0.545 nan 8.150 nan 0.000 0.444 109 K N -0.370 120.027 120.400 -0.006 0.000 2.074 109 K HA -0.237 4.083 4.320 0.000 0.000 0.209 109 K C 2.107 178.702 176.600 -0.007 0.000 1.048 109 K CA 1.568 57.849 56.287 -0.009 0.000 0.926 109 K CB -0.283 32.212 32.500 -0.008 0.000 0.713 109 K HN 0.721 nan 8.250 nan 0.000 0.444 110 E N 0.954 121.152 120.200 -0.004 0.000 2.114 110 E HA -0.196 4.154 4.350 0.000 0.000 0.199 110 E C 0.632 177.230 176.600 -0.004 0.000 1.008 110 E CA 1.565 57.963 56.400 -0.003 0.000 0.810 110 E CB 0.068 29.767 29.700 -0.001 0.000 0.739 110 E HN 0.126 nan 8.360 nan 0.000 0.456 111 S N -0.291 115.407 115.700 -0.004 0.000 2.561 111 S HA 0.342 4.812 4.470 0.000 0.000 0.245 111 S C 0.893 175.489 174.600 -0.007 0.000 1.001 111 S CA 0.178 58.376 58.200 -0.004 0.000 1.002 111 S CB 1.123 64.321 63.200 -0.003 0.000 0.805 111 S HN 0.414 nan 8.310 nan 0.000 0.458 112 A N 1.113 123.928 122.820 -0.009 0.000 2.186 112 A HA -0.108 4.212 4.320 0.000 0.000 0.219 112 A C 2.041 179.617 177.584 -0.014 0.000 1.159 112 A CA 1.404 53.433 52.037 -0.014 0.000 0.680 112 A CB -0.220 18.769 19.000 -0.019 0.000 0.787 112 A HN 0.405 nan 8.150 nan 0.000 0.467 113 E N 0.055 120.249 120.200 -0.011 0.000 2.099 113 E HA -0.016 4.334 4.350 0.000 0.000 0.191 113 E C 1.745 178.340 176.600 -0.008 0.000 0.962 113 E CA 1.090 57.484 56.400 -0.010 0.000 0.826 113 E CB -0.223 29.471 29.700 -0.008 0.000 0.788 113 E HN 0.496 nan 8.360 nan 0.000 0.461 114 E N 0.169 120.365 120.200 -0.006 0.000 2.209 114 E HA -0.122 4.229 4.350 0.000 0.000 0.196 114 E C 1.881 178.478 176.600 -0.004 0.000 0.993 114 E CA 1.034 57.431 56.400 -0.004 0.000 0.819 114 E CB -0.133 29.565 29.700 -0.003 0.000 0.745 114 E HN 0.388 nan 8.360 nan 0.000 0.477 115 I N 0.251 120.819 120.570 -0.005 0.000 2.406 115 I HA -0.165 4.005 4.170 0.000 0.000 0.249 115 I C 2.314 178.428 176.117 -0.005 0.000 1.122 115 I CA 0.720 62.018 61.300 -0.003 0.000 1.431 115 I CB -0.149 37.849 38.000 -0.005 0.000 1.087 115 I HN 0.025 nan 8.210 nan 0.000 0.424 116 K N 1.703 122.098 120.400 -0.009 0.000 2.211 116 K HA -0.130 4.190 4.320 0.000 0.000 0.203 116 K C 2.054 178.649 176.600 -0.008 0.000 1.050 116 K CA 1.330 57.611 56.287 -0.011 0.000 0.945 116 K CB 0.044 32.536 32.500 -0.014 0.000 0.732 116 K HN 0.286 nan 8.250 nan 0.000 0.451 117 A N 0.670 123.486 122.820 -0.007 0.000 1.975 117 A HA 0.107 4.427 4.320 0.000 0.000 0.215 117 A C 2.185 179.767 177.584 -0.003 0.000 1.170 117 A CA 1.115 53.149 52.037 -0.006 0.000 0.656 117 A CB -0.377 18.619 19.000 -0.006 0.000 0.821 117 A HN 0.399 nan 8.150 nan 0.000 0.449 118 A N 0.240 123.059 122.820 -0.001 0.000 2.067 118 A HA 0.095 4.415 4.320 0.000 0.000 0.219 118 A C 1.683 179.270 177.584 0.005 0.000 1.158 118 A CA 1.382 53.421 52.037 0.003 0.000 0.661 118 A CB -0.630 18.373 19.000 0.005 0.000 0.801 118 A HN 1.007 nan 8.150 nan 0.000 0.452 119 I N -4.991 115.581 120.570 0.004 0.000 4.102 119 I HA 0.274 4.444 4.170 0.000 0.000 0.325 119 I C 1.434 177.550 176.117 -0.001 0.000 1.471 119 I CA 0.102 61.406 61.300 0.006 0.000 1.133 119 I CB 0.150 38.156 38.000 0.011 0.000 1.184 119 I HN 0.046 nan 8.210 nan 0.000 0.451 120 Q N 2.891 122.688 119.800 -0.005 0.000 2.182 120 Q HA -0.222 4.118 4.340 0.000 0.000 0.213 120 Q C 0.361 176.353 176.000 -0.014 0.000 1.000 120 Q CA 2.199 57.996 55.803 -0.010 0.000 0.889 120 Q CB -0.201 28.530 28.738 -0.012 0.000 0.932 120 Q HN 0.626 nan 8.270 nan 0.000 0.415 121 D N 0.167 120.559 120.400 -0.014 0.000 2.943 121 D HA 0.208 4.848 4.640 0.000 0.000 0.347 121 D C -0.973 175.316 176.300 -0.018 0.000 1.305 121 D CA -0.013 53.975 54.000 -0.021 0.000 0.870 121 D CB 0.590 41.373 40.800 -0.029 0.000 1.081 121 D HN -0.017 nan 8.370 nan 0.000 0.492 122 S N 0.347 116.041 115.700 -0.009 0.000 2.475 122 S HA 0.205 4.675 4.470 0.000 0.000 0.298 122 S C 0.868 175.471 174.600 0.005 0.000 1.119 122 S CA -0.758 57.440 58.200 -0.003 0.000 1.085 122 S CB 2.431 65.638 63.200 0.012 0.000 1.028 122 S HN 0.118 nan 8.310 nan 0.000 0.489 123 D N 1.311 121.711 120.400 0.001 0.000 2.305 123 D HA 0.086 4.726 4.640 0.000 0.000 0.206 123 D C 0.308 176.695 176.300 0.146 0.000 0.974 123 D CA 0.810 54.847 54.000 0.061 0.000 0.871 123 D CB 0.323 41.116 40.800 -0.012 0.000 0.947 123 D HN 0.415 nan 8.370 nan 0.000 0.516 124 M N 0.774 120.431 119.600 0.094 0.000 2.371 124 M HA 0.309 4.789 4.480 0.000 0.000 0.287 124 M C -2.367 173.935 176.300 0.003 0.000 1.149 124 M CA -0.456 54.883 55.300 0.065 0.000 0.929 124 M CB 2.797 35.508 32.600 0.186 0.000 1.683 124 M HN -0.404 nan 8.290 nan 0.000 0.470 125 V N 4.860 124.718 119.914 -0.093 0.000 2.525 125 V HA 0.531 4.651 4.120 0.000 0.000 0.299 125 V C -1.221 174.802 176.094 -0.119 0.000 1.034 125 V CA -0.477 61.805 62.300 -0.030 0.000 0.863 125 V CB 1.904 33.728 31.823 0.002 0.000 0.999 125 V HN 0.751 nan 8.190 nan 0.000 0.423 126 F N 4.785 124.755 119.950 0.033 0.000 2.404 126 F HA 0.616 5.144 4.527 0.000 0.000 0.339 126 F C 0.345 176.158 175.800 0.022 0.000 1.105 126 F CA -0.507 57.511 58.000 0.030 0.000 1.087 126 F CB 1.315 40.333 39.000 0.029 0.000 1.143 126 F HN 0.232 nan 8.300 nan 0.000 0.491 127 I N 2.604 123.286 120.570 0.186 0.000 2.411 127 I HA 0.290 4.460 4.170 0.000 0.000 0.284 127 I C -0.309 175.874 176.117 0.109 0.000 1.012 127 I CA -0.300 61.069 61.300 0.114 0.000 1.119 127 I CB 1.860 39.902 38.000 0.069 0.000 1.261 127 I HN 0.482 nan 8.210 nan 0.000 0.448 128 T N 5.866 120.471 114.554 0.084 0.000 2.861 128 T HA 0.757 5.107 4.350 0.000 0.000 0.287 128 T C -0.727 173.986 174.700 0.021 0.000 1.003 128 T CA -0.327 61.806 62.100 0.054 0.000 0.977 128 T CB 1.011 69.906 68.868 0.044 0.000 0.996 128 T HN 0.903 nan 8.240 nan 0.000 0.448 129 C N 1.617 120.919 119.300 0.004 0.000 3.211 129 C HA 0.913 5.373 4.460 0.000 0.000 0.350 129 C C 0.062 175.033 174.990 -0.032 0.000 1.413 129 C CA -0.630 58.378 59.018 -0.016 0.000 1.203 129 C CB 0.659 28.394 27.740 -0.008 0.000 1.506 129 C HN 1.119 nan 8.230 nan 0.000 0.448 130 G N 1.253 110.023 108.800 -0.050 0.000 2.415 130 G HA2 0.590 4.550 3.960 0.000 0.000 0.317 130 G HA3 0.590 4.550 3.960 0.000 0.000 0.317 130 G C -0.655 174.217 174.900 -0.047 0.000 1.152 130 G CA -0.521 44.541 45.100 -0.064 0.000 0.956 130 G HN 0.900 nan 8.290 nan 0.000 0.458 131 L N 1.641 122.838 121.223 -0.042 0.000 2.467 131 L HA 0.452 4.792 4.340 0.000 0.000 0.270 131 L C 1.532 178.388 176.870 -0.024 0.000 1.205 131 L CA 1.166 55.986 54.840 -0.034 0.000 0.828 131 L CB 1.117 43.148 42.059 -0.047 0.000 1.101 131 L HN 0.852 nan 8.230 nan 0.000 0.479 132 G N 1.127 109.920 108.800 -0.013 0.000 2.336 132 G HA2 -0.138 3.822 3.960 0.000 0.000 0.194 132 G HA3 -0.138 3.822 3.960 0.000 0.000 0.194 132 G C 0.295 175.204 174.900 0.015 0.000 0.999 132 G CA -0.297 44.805 45.100 0.005 0.000 0.669 132 G HN 1.008 nan 8.290 nan 0.000 0.482 133 G N -0.626 108.178 108.800 0.006 0.000 2.606 133 G HA2 0.608 4.568 3.960 0.000 0.000 0.262 133 G HA3 0.608 4.568 3.960 0.000 0.000 0.262 133 G C 1.130 176.035 174.900 0.008 0.000 1.394 133 G CA 0.375 45.481 45.100 0.010 0.000 1.044 133 G HN 1.072 nan 8.290 nan 0.000 0.553 134 G N -1.624 107.181 108.800 0.008 0.000 2.486 134 G HA2 0.078 4.038 3.960 0.000 0.000 0.210 134 G HA3 0.078 4.038 3.960 0.000 0.000 0.210 134 G C 1.622 176.526 174.900 0.007 0.000 1.168 134 G CA 1.493 46.599 45.100 0.009 0.000 0.820 134 G HN 0.548 nan 8.290 nan 0.000 0.544 135 T N 1.040 115.597 114.554 0.004 0.000 2.701 135 T HA 0.009 4.359 4.350 0.000 0.000 0.263 135 T C 2.445 177.147 174.700 0.002 0.000 1.040 135 T CA 1.567 63.669 62.100 0.003 0.000 1.147 135 T CB -0.588 68.280 68.868 -0.001 0.000 0.865 135 T HN 0.299 nan 8.240 nan 0.000 0.426 136 G N 1.212 110.010 108.800 -0.002 0.000 2.464 136 G HA2 -0.198 3.762 3.960 0.000 0.000 0.214 136 G HA3 -0.198 3.762 3.960 0.000 0.000 0.214 136 G C 1.747 176.649 174.900 0.004 0.000 1.218 136 G CA 1.454 46.553 45.100 -0.002 0.000 0.794 136 G HN 0.440 nan 8.290 nan 0.000 0.542 137 T N 1.050 115.604 114.554 0.001 0.000 2.685 137 T HA -0.140 4.210 4.350 0.000 0.000 0.268 137 T C 2.396 177.104 174.700 0.015 0.000 1.034 137 T CA 1.791 63.894 62.100 0.004 0.000 1.149 137 T CB -0.629 68.240 68.868 0.001 0.000 0.860 137 T HN 0.384 nan 8.240 nan 0.000 0.449 138 G N 0.997 109.805 108.800 0.014 0.000 2.394 138 G HA2 -0.154 3.806 3.960 0.000 0.000 0.214 138 G HA3 -0.154 3.806 3.960 0.000 0.000 0.214 138 G C 1.940 176.853 174.900 0.022 0.000 1.176 138 G CA 1.171 46.282 45.100 0.019 0.000 0.786 138 G HN 0.637 nan 8.290 nan 0.000 0.533 139 S N 1.074 116.784 115.700 0.017 0.000 2.406 139 S HA 0.292 4.762 4.470 0.000 0.000 0.224 139 S C 2.638 177.251 174.600 0.022 0.000 1.030 139 S CA 1.265 59.474 58.200 0.015 0.000 0.958 139 S CB -0.436 62.770 63.200 0.010 0.000 0.811 139 S HN 0.588 nan 8.310 nan 0.000 0.489 140 A N 3.408 126.243 122.820 0.025 0.000 1.929 140 A HA -0.098 4.222 4.320 0.000 0.000 0.221 140 A C 0.133 177.747 177.584 0.049 0.000 1.211 140 A CA 2.183 54.240 52.037 0.033 0.000 0.657 140 A CB -2.020 16.998 19.000 0.031 0.000 0.827 140 A HN 0.564 nan 8.150 nan 0.000 0.462 141 P HA -0.025 nan 4.420 nan 0.000 0.220 141 P C 1.570 178.913 177.300 0.072 0.000 1.152 141 P CA 0.966 64.137 63.100 0.119 0.000 0.812 141 P CB -0.053 31.739 31.700 0.153 0.000 0.792 142 V N -0.412 119.518 119.914 0.027 0.000 2.343 142 V HA -0.199 3.921 4.120 0.000 0.000 0.247 142 V C 2.400 178.472 176.094 -0.037 0.000 1.051 142 V CA 1.747 64.033 62.300 -0.024 0.000 1.036 142 V CB -1.175 30.641 31.823 -0.012 0.000 0.654 142 V HN -0.027 nan 8.190 nan 0.000 0.451 143 V N 0.271 120.180 119.914 -0.007 0.000 2.295 143 V HA -0.267 3.853 4.120 0.000 0.000 0.246 143 V C 2.748 178.838 176.094 -0.008 0.000 1.049 143 V CA 2.014 64.311 62.300 -0.005 0.000 1.024 143 V CB -1.215 30.615 31.823 0.012 0.000 0.648 143 V HN 0.558 nan 8.190 nan 0.000 0.447 144 A N -0.331 122.497 122.820 0.015 0.000 1.903 144 A HA -0.359 3.961 4.320 0.000 0.000 0.219 144 A C 2.278 179.859 177.584 -0.006 0.000 1.191 144 A CA 2.489 54.544 52.037 0.030 0.000 0.638 144 A CB -0.675 18.381 19.000 0.093 0.000 0.823 144 A HN 0.658 nan 8.150 nan 0.000 0.451 145 E N -0.338 119.803 120.200 -0.099 0.000 2.058 145 E HA -0.195 4.155 4.350 0.000 0.000 0.194 145 E C 1.938 178.463 176.600 -0.125 0.000 0.997 145 E CA 1.474 57.729 56.400 -0.241 0.000 0.801 145 E CB -0.262 29.103 29.700 -0.560 0.000 0.746 145 E HN 0.678 nan 8.360 nan 0.000 0.450 146 I N 0.488 121.001 120.570 -0.094 0.000 2.163 146 I HA -0.302 3.868 4.170 0.000 0.000 0.243 146 I C 2.755 178.850 176.117 -0.037 0.000 1.085 146 I CA 1.206 62.471 61.300 -0.058 0.000 1.347 146 I CB -0.532 37.444 38.000 -0.041 0.000 1.044 146 I HN 0.182 nan 8.210 nan 0.000 0.408 147 S N 0.810 116.494 115.700 -0.027 0.000 2.359 147 S HA -0.281 4.189 4.470 0.000 0.000 0.222 147 S C 2.135 176.726 174.600 -0.016 0.000 1.038 147 S CA 1.795 59.985 58.200 -0.015 0.000 1.051 147 S CB -0.204 62.990 63.200 -0.010 0.000 0.944 147 S HN 0.295 nan 8.310 nan 0.000 0.433 148 K N 0.434 120.825 120.400 -0.016 0.000 2.063 148 K HA -0.095 4.225 4.320 0.000 0.000 0.208 148 K C 2.340 178.932 176.600 -0.013 0.000 1.048 148 K CA 1.407 57.689 56.287 -0.009 0.000 0.928 148 K CB -0.163 32.342 32.500 0.008 0.000 0.713 148 K HN 0.356 nan 8.250 nan 0.000 0.442 149 K N 0.770 121.155 120.400 -0.024 0.000 2.103 149 K HA -0.153 4.167 4.320 0.000 0.000 0.207 149 K C 1.941 178.531 176.600 -0.017 0.000 1.048 149 K CA 1.586 57.859 56.287 -0.023 0.000 0.930 149 K CB -0.262 32.218 32.500 -0.033 0.000 0.716 149 K HN 0.369 nan 8.250 nan 0.000 0.444 150 I N -2.791 117.769 120.570 -0.016 0.000 3.646 150 I HA 0.150 4.321 4.170 0.000 0.000 0.301 150 I C 0.919 177.031 176.117 -0.008 0.000 1.276 150 I CA 0.692 61.984 61.300 -0.013 0.000 1.254 150 I CB -0.177 37.815 38.000 -0.013 0.000 1.020 150 I HN 0.257 nan 8.210 nan 0.000 0.473 151 G N 1.246 110.043 108.800 -0.006 0.000 2.225 151 G HA2 -0.300 3.660 3.960 0.000 0.000 0.254 151 G HA3 -0.300 3.660 3.960 0.000 0.000 0.254 151 G C 0.558 175.461 174.900 0.006 0.000 0.988 151 G CA 0.058 45.158 45.100 -0.001 0.000 0.625 151 G HN 0.994 nan 8.290 nan 0.000 0.527 152 A N 0.379 123.202 122.820 0.005 0.000 2.483 152 A HA 0.546 4.866 4.320 0.000 0.000 0.238 152 A C 0.808 178.392 177.584 -0.001 0.000 1.070 152 A CA 0.418 52.463 52.037 0.013 0.000 0.770 152 A CB 0.372 19.376 19.000 0.006 0.000 1.008 152 A HN 1.460 nan 8.150 nan 0.000 0.497 153 L N 2.787 124.015 121.223 0.008 0.000 2.456 153 L HA 0.188 4.528 4.340 0.000 0.000 0.277 153 L C -0.129 176.680 176.870 -0.102 0.000 1.124 153 L CA 0.017 54.831 54.840 -0.043 0.000 0.880 153 L CB 0.054 42.086 42.059 -0.045 0.000 1.192 153 L HN 0.730 nan 8.230 nan 0.000 0.463 154 T N 4.772 119.269 114.554 -0.095 0.000 2.743 154 T HA 0.413 4.763 4.350 0.000 0.000 0.293 154 T C -0.268 174.341 174.700 -0.153 0.000 0.945 154 T CA -0.266 61.767 62.100 -0.111 0.000 1.030 154 T CB 1.263 70.105 68.868 -0.043 0.000 0.912 154 T HN 0.373 nan 8.240 nan 0.000 0.483 155 V N 2.733 122.501 119.914 -0.243 0.000 2.577 155 V HA 0.749 4.869 4.120 0.000 0.000 0.303 155 V C -0.156 175.902 176.094 -0.061 0.000 1.042 155 V CA -1.030 61.136 62.300 -0.223 0.000 0.872 155 V CB 1.703 33.228 31.823 -0.497 0.000 0.998 155 V HN 1.032 nan 8.190 nan 0.000 0.423 156 A N 4.184 127.020 122.820 0.027 0.000 2.337 156 A HA 0.881 5.201 4.320 0.000 0.000 0.329 156 A C -0.719 176.930 177.584 0.107 0.000 1.146 156 A CA -0.556 51.529 52.037 0.080 0.000 0.800 156 A CB 1.736 20.771 19.000 0.057 0.000 1.220 156 A HN 0.824 nan 8.150 nan 0.000 0.472 157 V N 3.746 123.732 119.914 0.120 0.000 2.315 157 V HA 0.395 4.515 4.120 0.000 0.000 0.265 157 V C -0.040 176.083 176.094 0.047 0.000 1.019 157 V CA -0.405 61.952 62.300 0.095 0.000 0.824 157 V CB 0.285 32.178 31.823 0.117 0.000 1.072 157 V HN 0.924 nan 8.190 nan 0.000 0.448 158 V N 1.069 120.999 119.914 0.027 0.000 2.881 158 V HA 0.961 5.081 4.120 0.000 0.000 0.316 158 V C 0.253 176.331 176.094 -0.028 0.000 1.070 158 V CA -0.348 61.951 62.300 -0.003 0.000 0.976 158 V CB 1.956 33.776 31.823 -0.006 0.000 1.038 158 V HN 0.696 nan 8.190 nan 0.000 0.446 159 T N 0.826 115.350 114.554 -0.050 0.000 2.950 159 T HA 0.798 5.148 4.350 0.000 0.000 0.288 159 T C -0.848 173.795 174.700 -0.095 0.000 1.035 159 T CA -0.729 61.323 62.100 -0.080 0.000 1.028 159 T CB 1.600 70.409 68.868 -0.098 0.000 1.109 159 T HN 0.580 nan 8.240 nan 0.000 0.514 160 L N 2.797 123.945 121.223 -0.125 0.000 2.329 160 L HA 0.567 4.907 4.340 0.000 0.000 0.279 160 L C -2.081 174.701 176.870 -0.148 0.000 1.014 160 L CA -2.410 52.357 54.840 -0.122 0.000 0.814 160 L CB 1.294 43.277 42.059 -0.126 0.000 1.257 160 L HN 0.568 nan 8.230 nan 0.000 0.424 161 P HA -0.020 nan 4.420 nan 0.000 0.268 161 P C -0.490 176.802 177.300 -0.014 0.000 1.208 161 P CA -0.018 63.079 63.100 -0.004 0.000 0.777 161 P CB 0.335 32.078 31.700 0.071 0.000 0.875 162 F N 0.243 120.275 119.950 0.137 0.000 2.450 162 F HA -0.024 4.503 4.527 -0.000 0.000 0.339 162 F C 2.093 177.950 175.800 0.095 0.000 1.146 162 F CA -0.067 58.019 58.000 0.143 0.000 1.267 162 F CB 0.030 39.131 39.000 0.167 0.000 1.178 162 F HN 0.048 nan 8.300 nan 0.000 0.585 163 V N 2.674 122.767 119.914 0.299 0.000 2.392 163 V HA -0.361 3.759 4.120 0.000 0.000 0.249 163 V C 2.196 178.360 176.094 0.116 0.000 1.059 163 V CA 1.992 64.383 62.300 0.152 0.000 1.051 163 V CB -0.728 31.156 31.823 0.102 0.000 0.658 163 V HN 0.799 nan 8.190 nan 0.000 0.455 164 M N -0.417 119.255 119.600 0.120 0.000 2.260 164 M HA -0.240 4.240 4.480 0.000 0.000 0.261 164 M C 1.993 178.326 176.300 0.054 0.000 1.066 164 M CA 1.785 57.107 55.300 0.037 0.000 1.082 164 M CB -0.598 31.980 32.600 -0.036 0.000 1.388 164 M HN 0.433 nan 8.290 nan 0.000 0.419 165 E N 0.305 120.576 120.200 0.118 0.000 2.418 165 E HA 0.150 4.500 4.350 0.000 0.000 0.197 165 E C 0.911 177.559 176.600 0.080 0.000 1.026 165 E CA 0.241 56.710 56.400 0.116 0.000 0.862 165 E CB -0.004 29.808 29.700 0.186 0.000 0.799 165 E HN 0.588 nan 8.360 nan 0.000 0.518 166 G N 1.238 110.078 108.800 0.067 0.000 2.612 166 G HA2 -0.259 3.701 3.960 0.000 0.000 0.686 166 G HA3 -0.259 3.701 3.960 0.000 0.000 0.686 166 G C 0.014 174.938 174.900 0.041 0.000 1.274 166 G CA -0.125 45.002 45.100 0.045 0.000 0.849 166 G HN 0.072 nan 8.290 nan 0.000 0.595 167 K N -0.654 119.763 120.400 0.028 0.000 1.984 167 K HA 0.060 4.380 4.320 0.000 0.000 0.209 167 K C 2.761 179.373 176.600 0.021 0.000 1.046 167 K CA 2.018 58.318 56.287 0.022 0.000 0.934 167 K CB -0.423 32.087 32.500 0.016 0.000 0.717 167 K HN 0.454 nan 8.250 nan 0.000 0.438 168 V N 1.414 121.341 119.914 0.021 0.000 2.278 168 V HA -0.316 3.804 4.120 0.000 0.000 0.251 168 V C 2.462 178.569 176.094 0.022 0.000 1.062 168 V CA 2.100 64.412 62.300 0.020 0.000 1.038 168 V CB -0.558 31.277 31.823 0.021 0.000 0.646 168 V HN 0.319 nan 8.190 nan 0.000 0.447 169 R N -0.553 119.967 120.500 0.032 0.000 2.080 169 R HA -0.160 4.180 4.340 0.000 0.000 0.236 169 R C 2.179 178.492 176.300 0.023 0.000 1.137 169 R CA 2.261 58.383 56.100 0.038 0.000 0.943 169 R CB -0.796 29.543 30.300 0.064 0.000 0.846 169 R HN 0.500 nan 8.270 nan 0.000 0.431 170 M N 0.449 120.062 119.600 0.021 0.000 2.159 170 M HA -0.129 4.351 4.480 0.000 0.000 0.263 170 M C 1.808 178.097 176.300 -0.018 0.000 1.063 170 M CA 1.789 57.088 55.300 -0.001 0.000 1.110 170 M CB -0.275 32.326 32.600 0.003 0.000 1.374 170 M HN -0.026 nan 8.290 nan 0.000 0.411 171 K N 0.360 120.757 120.400 -0.005 0.000 1.987 171 K HA -0.156 4.164 4.320 0.000 0.000 0.216 171 K C 1.541 178.133 176.600 -0.013 0.000 1.051 171 K CA 2.611 58.894 56.287 -0.008 0.000 0.942 171 K CB -0.800 31.702 32.500 0.004 0.000 0.722 171 K HN 0.671 nan 8.250 nan 0.000 0.444 172 N N -0.188 118.509 118.700 -0.004 0.000 2.094 172 N HA -0.210 4.530 4.740 0.000 0.000 0.191 172 N C 1.769 177.268 175.510 -0.018 0.000 1.023 172 N CA 0.980 54.028 53.050 -0.004 0.000 0.857 172 N CB -0.288 38.201 38.487 0.005 0.000 1.013 172 N HN 0.366 nan 8.380 nan 0.000 0.426 173 A N 1.587 124.390 122.820 -0.028 0.000 1.892 173 A HA -0.203 4.117 4.320 0.000 0.000 0.218 173 A C 2.187 179.717 177.584 -0.091 0.000 1.188 173 A CA 1.468 53.474 52.037 -0.052 0.000 0.631 173 A CB -0.395 18.571 19.000 -0.056 0.000 0.822 173 A HN 0.144 nan 8.150 nan 0.000 0.447 174 M N -0.398 119.138 119.600 -0.107 0.000 2.067 174 M HA -0.145 4.335 4.480 0.000 0.000 0.260 174 M C 1.976 178.218 176.300 -0.097 0.000 1.069 174 M CA 1.712 56.911 55.300 -0.169 0.000 1.117 174 M CB -1.726 30.792 32.600 -0.137 0.000 1.334 174 M HN 0.555 nan 8.290 nan 0.000 0.407 175 E N -0.288 119.893 120.200 -0.031 0.000 2.058 175 E HA -0.166 4.184 4.350 0.000 0.000 0.194 175 E C 2.076 178.686 176.600 0.016 0.000 0.997 175 E CA 1.293 57.699 56.400 0.011 0.000 0.801 175 E CB -0.500 29.209 29.700 0.015 0.000 0.746 175 E HN 0.644 nan 8.360 nan 0.000 0.450 176 G N 1.629 110.428 108.800 -0.001 0.000 2.446 176 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 176 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 176 G C 1.559 176.467 174.900 0.013 0.000 1.168 176 G CA 0.799 45.904 45.100 0.009 0.000 0.771 176 G HN 0.152 nan 8.290 nan 0.000 0.551 177 L N 0.857 122.060 121.223 -0.033 0.000 2.043 177 L HA -0.090 4.250 4.340 0.000 0.000 0.212 177 L C 2.602 179.552 176.870 0.134 0.000 1.075 177 L CA 2.676 57.493 54.840 -0.038 0.000 0.752 177 L CB -0.686 41.200 42.059 -0.289 0.000 0.891 177 L HN 0.364 nan 8.230 nan 0.000 0.432 178 E N -0.142 120.160 120.200 0.170 0.000 2.012 178 E HA -0.235 4.115 4.350 0.000 0.000 0.197 178 E C 2.347 179.007 176.600 0.101 0.000 1.007 178 E CA 1.736 58.290 56.400 0.257 0.000 0.816 178 E CB -0.269 29.545 29.700 0.190 0.000 0.762 178 E HN 0.391 nan 8.360 nan 0.000 0.451 179 R N -0.349 120.183 120.500 0.054 0.000 2.133 179 R HA -0.227 4.113 4.340 0.000 0.000 0.245 179 R C 2.485 178.770 176.300 -0.025 0.000 1.137 179 R CA 1.673 57.778 56.100 0.009 0.000 0.947 179 R CB -0.885 29.450 30.300 0.057 0.000 0.865 179 R HN 0.234 nan 8.270 nan 0.000 0.437 180 L N 1.609 122.858 121.223 0.043 0.000 1.990 180 L HA -0.258 4.082 4.340 0.000 0.000 0.213 180 L C 2.398 179.274 176.870 0.010 0.000 1.072 180 L CA 1.921 56.795 54.840 0.056 0.000 0.755 180 L CB -0.554 41.544 42.059 0.066 0.000 0.889 180 L HN 0.101 nan 8.230 nan 0.000 0.432 181 K N -0.952 119.468 120.400 0.033 0.000 2.127 181 K HA -0.295 4.025 4.320 0.000 0.000 0.208 181 K C 2.007 178.550 176.600 -0.095 0.000 1.047 181 K CA 2.120 58.408 56.287 0.002 0.000 0.927 181 K CB -0.142 32.372 32.500 0.023 0.000 0.716 181 K HN 0.526 nan 8.250 nan 0.000 0.450 182 Q N -1.051 118.618 119.800 -0.219 0.000 2.291 182 Q HA -0.113 4.227 4.340 0.000 0.000 0.205 182 Q C 0.410 176.162 176.000 -0.413 0.000 0.970 182 Q CA 0.896 56.473 55.803 -0.377 0.000 0.876 182 Q CB 0.175 28.572 28.738 -0.568 0.000 0.935 182 Q HN 0.465 nan 8.270 nan 0.000 0.455 183 H N -0.852 118.222 119.070 0.007 0.000 2.492 183 H HA 0.350 4.906 4.556 0.000 0.000 0.264 183 H C -0.474 174.851 175.328 -0.005 0.000 1.150 183 H CA 0.025 56.074 56.048 -0.000 0.000 0.962 183 H CB 0.487 30.251 29.762 0.003 0.000 1.766 183 H HN -0.043 nan 8.280 nan 0.000 0.589 184 T N -0.210 114.377 114.554 0.056 0.000 2.906 184 T HA 0.170 4.521 4.350 0.000 0.000 0.295 184 T C 0.689 175.388 174.700 -0.002 0.000 1.061 184 T CA -0.648 61.468 62.100 0.027 0.000 1.000 184 T CB 2.714 71.596 68.868 0.024 0.000 1.103 184 T HN 0.088 nan 8.240 nan 0.000 0.486 185 D N 0.857 121.243 120.400 -0.022 0.000 2.301 185 D HA 0.080 4.720 4.640 0.000 0.000 0.206 185 D C 0.614 176.893 176.300 -0.036 0.000 0.979 185 D CA 0.912 54.890 54.000 -0.035 0.000 0.874 185 D CB 0.719 41.486 40.800 -0.055 0.000 0.968 185 D HN 0.550 nan 8.370 nan 0.000 0.510 186 T N 0.615 115.150 114.554 -0.032 0.000 3.842 186 T HA 0.270 4.620 4.350 0.000 0.000 0.336 186 T C -1.947 172.756 174.700 0.005 0.000 0.900 186 T CA -0.708 61.383 62.100 -0.016 0.000 1.022 186 T CB 0.443 69.296 68.868 -0.025 0.000 1.068 186 T HN -0.156 nan 8.240 nan 0.000 0.464 187 L N 6.719 127.958 121.223 0.027 0.000 2.257 187 L HA 0.741 5.081 4.340 0.000 0.000 0.290 187 L C -0.758 176.149 176.870 0.061 0.000 1.044 187 L CA -0.251 54.620 54.840 0.051 0.000 0.810 187 L CB 1.059 43.160 42.059 0.071 0.000 1.193 187 L HN 0.530 nan 8.230 nan 0.000 0.425 188 V N 6.162 126.114 119.914 0.064 0.000 2.370 188 V HA 0.607 4.727 4.120 0.000 0.000 0.283 188 V C -0.268 175.853 176.094 0.045 0.000 1.023 188 V CA -0.642 61.695 62.300 0.061 0.000 0.857 188 V CB 1.584 33.452 31.823 0.076 0.000 0.985 188 V HN 0.589 nan 8.190 nan 0.000 0.443 189 V N 3.233 123.167 119.914 0.032 0.000 2.735 189 V HA 0.764 4.884 4.120 0.000 0.000 0.310 189 V C -0.856 175.231 176.094 -0.011 0.000 1.061 189 V CA -0.899 61.403 62.300 0.002 0.000 0.913 189 V CB 1.855 33.669 31.823 -0.014 0.000 1.005 189 V HN 0.595 nan 8.190 nan 0.000 0.428 190 I N 4.311 124.860 120.570 -0.035 0.000 2.406 190 I HA 0.578 4.748 4.170 0.000 0.000 0.290 190 I C -2.635 173.431 176.117 -0.086 0.000 0.999 190 I CA -2.184 59.086 61.300 -0.049 0.000 1.124 190 I CB 2.106 40.074 38.000 -0.053 0.000 1.289 190 I HN 0.440 nan 8.210 nan 0.000 0.441 191 P HA 0.305 nan 4.420 nan 0.000 0.241 191 P C 0.285 177.481 177.300 -0.174 0.000 1.780 191 P CA -0.240 62.794 63.100 -0.110 0.000 1.111 191 P CB 0.070 31.733 31.700 -0.061 0.000 1.852 192 N N 1.588 120.108 118.700 -0.300 0.000 2.139 192 N HA -0.318 4.422 4.740 0.000 0.000 0.199 192 N C 1.627 176.811 175.510 -0.544 0.000 1.003 192 N CA 1.263 53.979 53.050 -0.556 0.000 0.892 192 N CB -0.090 37.783 38.487 -1.024 0.000 1.039 192 N HN 0.387 nan 8.380 nan 0.000 0.461 193 E N 1.427 121.425 120.200 -0.337 0.000 2.097 193 E HA -0.173 4.177 4.350 0.000 0.000 0.196 193 E C 1.351 178.050 176.600 0.165 0.000 1.000 193 E CA 1.288 57.738 56.400 0.084 0.000 0.804 193 E CB 0.092 29.856 29.700 0.107 0.000 0.740 193 E HN 0.112 nan 8.360 nan 0.000 0.454 194 K N -0.037 120.387 120.400 0.040 0.000 2.360 194 K HA -0.113 4.207 4.320 0.000 0.000 0.201 194 K C 1.774 178.403 176.600 0.049 0.000 1.046 194 K CA 0.330 56.650 56.287 0.055 0.000 0.945 194 K CB -0.272 32.236 32.500 0.013 0.000 0.750 194 K HN 0.209 nan 8.250 nan 0.000 0.464 195 L N -0.060 121.159 121.223 -0.006 0.000 2.042 195 L HA -0.123 4.217 4.340 0.000 0.000 0.210 195 L C 1.798 178.639 176.870 -0.049 0.000 1.076 195 L CA 1.535 56.336 54.840 -0.065 0.000 0.749 195 L CB -0.832 41.145 42.059 -0.135 0.000 0.893 195 L HN 0.051 nan 8.230 nan 0.000 0.432 196 F N -0.391 119.640 119.950 0.135 0.000 2.641 196 F HA -0.108 4.419 4.527 0.000 0.000 0.298 196 F C 2.296 178.129 175.800 0.055 0.000 1.146 196 F CA 0.598 58.652 58.000 0.090 0.000 1.464 196 F CB -0.524 38.531 39.000 0.092 0.000 1.101 196 F HN 0.245 nan 8.300 nan 0.000 0.585 197 E N -0.419 119.896 120.200 0.193 0.000 2.442 197 E HA 0.020 4.370 4.350 0.000 0.000 0.195 197 E C 1.854 178.503 176.600 0.082 0.000 1.030 197 E CA 0.280 56.752 56.400 0.121 0.000 0.869 197 E CB 0.215 29.969 29.700 0.089 0.000 0.857 197 E HN 0.433 nan 8.360 nan 0.000 0.505 198 I N -0.795 119.817 120.570 0.070 0.000 3.523 198 I HA 0.025 4.195 4.170 0.000 0.000 0.244 198 I C 0.887 177.031 176.117 0.045 0.000 1.110 198 I CA -0.042 61.282 61.300 0.040 0.000 1.517 198 I CB 0.342 38.350 38.000 0.014 0.000 1.505 198 I HN -0.149 nan 8.210 nan 0.000 0.460 199 V N 2.260 122.192 119.914 0.030 0.000 3.003 199 V HA 0.205 4.325 4.120 0.000 0.000 0.305 199 V C -2.099 174.066 176.094 0.118 0.000 1.078 199 V CA -1.457 60.862 62.300 0.032 0.000 1.083 199 V CB 1.284 33.083 31.823 -0.040 0.000 1.039 199 V HN 0.007 nan 8.190 nan 0.000 0.481 200 P HA 0.170 nan 4.420 nan 0.000 0.274 200 P C -0.869 176.580 177.300 0.249 0.000 1.256 200 P CA -0.530 62.657 63.100 0.145 0.000 0.795 200 P CB 0.329 32.075 31.700 0.077 0.000 1.038 201 N N 1.482 120.278 118.700 0.161 0.000 2.412 201 N HA 0.110 4.850 4.740 0.000 0.000 0.258 201 N C -0.005 175.572 175.510 0.112 0.000 1.236 201 N CA 0.953 54.051 53.050 0.080 0.000 0.882 201 N CB -0.178 38.278 38.487 -0.052 0.000 1.066 201 N HN 0.430 nan 8.380 nan 0.000 0.465 202 M N -0.722 118.978 119.600 0.167 0.000 2.643 202 M HA 0.509 4.989 4.480 0.000 0.000 0.276 202 M C -3.119 173.183 176.300 0.003 0.000 1.200 202 M CA -1.801 53.546 55.300 0.079 0.000 0.863 202 M CB 1.693 34.341 32.600 0.080 0.000 1.711 202 M HN -0.012 nan 8.290 nan 0.000 0.492 203 P HA 0.005 nan 4.420 nan 0.000 0.266 203 P C 0.702 177.877 177.300 -0.208 0.000 1.193 203 P CA -0.496 62.534 63.100 -0.116 0.000 0.770 203 P CB 0.541 32.187 31.700 -0.089 0.000 0.836 204 L N 2.712 123.753 121.223 -0.302 0.000 2.261 204 L HA -0.192 4.148 4.340 0.000 0.000 0.216 204 L C 1.767 178.217 176.870 -0.700 0.000 1.114 204 L CA 1.968 56.460 54.840 -0.581 0.000 0.777 204 L CB -0.471 41.277 42.059 -0.518 0.000 0.910 204 L HN 0.491 nan 8.230 nan 0.000 0.440 205 K N -0.448 119.748 120.400 -0.338 0.000 2.031 205 K HA -0.175 4.145 4.320 0.000 0.000 0.205 205 K C 1.999 178.556 176.600 -0.072 0.000 1.049 205 K CA 0.954 57.148 56.287 -0.154 0.000 0.939 205 K CB 0.105 32.573 32.500 -0.052 0.000 0.717 205 K HN 0.247 nan 8.250 nan 0.000 0.438 206 L N 0.962 122.127 121.223 -0.096 0.000 2.179 206 L HA 0.073 4.413 4.340 0.000 0.000 0.208 206 L C 2.422 179.255 176.870 -0.061 0.000 1.096 206 L CA 1.517 56.331 54.840 -0.043 0.000 0.779 206 L CB -0.980 41.057 42.059 -0.035 0.000 0.922 206 L HN 0.206 nan 8.230 nan 0.000 0.443 207 A N -0.919 121.784 122.820 -0.196 0.000 1.933 207 A HA -0.195 4.125 4.320 0.000 0.000 0.218 207 A C 2.121 179.726 177.584 0.034 0.000 1.175 207 A CA 1.253 53.118 52.037 -0.286 0.000 0.628 207 A CB -0.742 17.779 19.000 -0.799 0.000 0.814 207 A HN 0.287 nan 8.150 nan 0.000 0.444 208 F N 0.589 120.523 119.950 -0.026 0.000 2.171 208 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 208 F C 2.222 178.055 175.800 0.055 0.000 1.090 208 F CA 1.179 59.236 58.000 0.096 0.000 1.293 208 F CB -0.432 38.607 39.000 0.064 0.000 1.013 208 F HN 0.131 nan 8.300 nan 0.000 0.486 209 K N 0.367 120.896 120.400 0.214 0.000 1.985 209 K HA -0.107 4.213 4.320 0.000 0.000 0.210 209 K C 2.339 178.989 176.600 0.084 0.000 1.047 209 K CA 1.219 57.573 56.287 0.112 0.000 0.932 209 K CB -1.290 31.250 32.500 0.066 0.000 0.716 209 K HN 0.126 nan 8.250 nan 0.000 0.439 210 V N 2.040 121.993 119.914 0.065 0.000 2.278 210 V HA -0.327 3.793 4.120 0.000 0.000 0.251 210 V C 2.534 178.661 176.094 0.055 0.000 1.062 210 V CA 2.264 64.586 62.300 0.036 0.000 1.038 210 V CB -1.052 30.769 31.823 -0.004 0.000 0.646 210 V HN 0.359 nan 8.190 nan 0.000 0.447 211 A N -0.206 122.687 122.820 0.122 0.000 1.865 211 A HA -0.304 4.016 4.320 0.000 0.000 0.217 211 A C 2.041 179.651 177.584 0.043 0.000 1.191 211 A CA 2.124 54.217 52.037 0.094 0.000 0.623 211 A CB -0.821 18.292 19.000 0.189 0.000 0.826 211 A HN 0.588 nan 8.150 nan 0.000 0.444 212 D N -0.519 119.913 120.400 0.054 0.000 2.157 212 D HA -0.216 4.424 4.640 0.000 0.000 0.191 212 D C 1.829 178.131 176.300 0.003 0.000 1.004 212 D CA 1.932 55.941 54.000 0.015 0.000 0.854 212 D CB -0.284 40.530 40.800 0.023 0.000 0.936 212 D HN 0.516 nan 8.370 nan 0.000 0.446 213 E N 0.590 120.795 120.200 0.009 0.000 1.997 213 E HA -0.147 4.203 4.350 0.000 0.000 0.201 213 E C 2.346 178.940 176.600 -0.011 0.000 1.011 213 E CA 0.708 57.106 56.400 -0.003 0.000 0.847 213 E CB -0.641 29.058 29.700 -0.001 0.000 0.787 213 E HN -0.003 nan 8.360 nan 0.000 0.472 214 V N 0.911 120.819 119.914 -0.010 0.000 2.280 214 V HA -0.363 3.757 4.120 0.000 0.000 0.258 214 V C 2.539 178.621 176.094 -0.019 0.000 1.081 214 V CA 2.242 64.533 62.300 -0.016 0.000 1.070 214 V CB -0.700 31.112 31.823 -0.017 0.000 0.666 214 V HN 0.298 nan 8.190 nan 0.000 0.450 215 L N -1.444 119.767 121.223 -0.020 0.000 1.970 215 L HA -0.225 4.115 4.340 0.000 0.000 0.212 215 L C 2.386 179.237 176.870 -0.031 0.000 1.071 215 L CA 1.792 56.617 54.840 -0.024 0.000 0.751 215 L CB -0.464 41.578 42.059 -0.028 0.000 0.889 215 L HN 0.240 nan 8.230 nan 0.000 0.432 216 I N 0.071 120.622 120.570 -0.032 0.000 2.113 216 I HA -0.376 3.794 4.170 0.000 0.000 0.242 216 I C 2.385 178.476 176.117 -0.044 0.000 1.064 216 I CA 1.437 62.714 61.300 -0.039 0.000 1.320 216 I CB -0.893 37.089 38.000 -0.031 0.000 1.028 216 I HN 0.341 nan 8.210 nan 0.000 0.406 217 N N 0.552 119.230 118.700 -0.036 0.000 2.011 217 N HA -0.239 4.501 4.740 0.000 0.000 0.199 217 N C 1.877 177.366 175.510 -0.036 0.000 1.047 217 N CA 2.211 55.237 53.050 -0.040 0.000 0.863 217 N CB -0.334 38.132 38.487 -0.035 0.000 1.056 217 N HN 0.409 nan 8.380 nan 0.000 0.427 218 A N 0.864 123.670 122.820 -0.024 0.000 1.859 218 A HA -0.132 4.188 4.320 0.000 0.000 0.217 218 A C 2.685 180.252 177.584 -0.028 0.000 1.198 218 A CA 2.153 54.186 52.037 -0.008 0.000 0.629 218 A CB -1.124 17.878 19.000 0.004 0.000 0.830 218 A HN 0.195 nan 8.150 nan 0.000 0.446 219 V N 0.217 120.094 119.914 -0.062 0.000 2.233 219 V HA -0.304 3.816 4.120 0.000 0.000 0.247 219 V C 2.587 178.546 176.094 -0.226 0.000 1.050 219 V CA 2.557 64.762 62.300 -0.159 0.000 1.010 219 V CB -0.728 31.008 31.823 -0.144 0.000 0.637 219 V HN 0.695 nan 8.190 nan 0.000 0.444 220 K N 0.030 120.346 120.400 -0.140 0.000 2.009 220 K HA -0.184 4.136 4.320 0.000 0.000 0.210 220 K C 2.213 178.784 176.600 -0.048 0.000 1.049 220 K CA 1.823 58.045 56.287 -0.110 0.000 0.929 220 K CB -0.842 31.619 32.500 -0.065 0.000 0.714 220 K HN 0.489 nan 8.250 nan 0.000 0.440 221 G N 1.599 110.394 108.800 -0.008 0.000 2.505 221 G HA2 -0.291 3.669 3.960 0.000 0.000 0.220 221 G HA3 -0.291 3.669 3.960 0.000 0.000 0.220 221 G C 1.520 176.547 174.900 0.212 0.000 1.145 221 G CA 1.115 46.278 45.100 0.105 0.000 0.761 221 G HN 0.255 nan 8.290 nan 0.000 0.571 222 L N -0.266 120.998 121.223 0.067 0.000 2.005 222 L HA -0.073 4.267 4.340 0.000 0.000 0.207 222 L C 3.070 179.969 176.870 0.048 0.000 1.072 222 L CA 0.666 55.560 54.840 0.090 0.000 0.744 222 L CB -0.524 41.614 42.059 0.132 0.000 0.895 222 L HN 0.133 nan 8.230 nan 0.000 0.433 223 V N 0.116 119.934 119.914 -0.160 0.000 2.233 223 V HA -0.318 3.802 4.120 0.000 0.000 0.247 223 V C 2.264 178.354 176.094 -0.007 0.000 1.050 223 V CA 1.999 64.221 62.300 -0.131 0.000 1.010 223 V CB -0.514 31.119 31.823 -0.318 0.000 0.637 223 V HN 0.484 nan 8.190 nan 0.000 0.444 224 E N -0.224 119.978 120.200 0.003 0.000 2.401 224 E HA -0.200 4.150 4.350 0.000 0.000 0.199 224 E C 1.946 178.517 176.600 -0.048 0.000 1.023 224 E CA 0.745 57.167 56.400 0.037 0.000 0.859 224 E CB -0.172 29.594 29.700 0.110 0.000 0.780 224 E HN 0.452 nan 8.360 nan 0.000 0.523 225 L N 0.387 121.531 121.223 -0.131 0.000 2.291 225 L HA -0.064 4.276 4.340 0.000 0.000 0.214 225 L C 1.706 178.465 176.870 -0.185 0.000 1.120 225 L CA 1.409 55.984 54.840 -0.441 0.000 0.799 225 L CB 0.073 41.976 42.059 -0.261 0.000 0.925 225 L HN 0.042 nan 8.230 nan 0.000 0.446 226 I N -1.347 119.201 120.570 -0.036 0.000 2.927 226 I HA -0.061 4.109 4.170 0.000 0.000 0.268 226 I C 1.863 177.996 176.117 0.026 0.000 1.153 226 I CA 1.112 62.437 61.300 0.041 0.000 1.459 226 I CB -0.216 37.883 38.000 0.165 0.000 1.149 226 I HN 0.354 nan 8.210 nan 0.000 0.443 227 T N -2.189 112.373 114.554 0.013 0.000 3.040 227 T HA 0.112 4.462 4.350 0.000 0.000 0.250 227 T C 0.669 175.367 174.700 -0.005 0.000 1.058 227 T CA -0.204 61.898 62.100 0.003 0.000 0.988 227 T CB 0.063 68.935 68.868 0.006 0.000 0.993 227 T HN 0.004 nan 8.240 nan 0.000 0.519 228 K N 1.780 122.174 120.400 -0.010 0.000 2.206 228 K HA 0.257 4.577 4.320 0.000 0.000 0.264 228 K C -1.125 175.471 176.600 -0.007 0.000 0.967 228 K CA -0.680 55.609 56.287 0.003 0.000 0.844 228 K CB 0.850 33.370 32.500 0.033 0.000 1.099 228 K HN 0.098 nan 8.250 nan 0.000 0.441 229 D N 2.588 122.988 120.400 0.000 0.000 2.390 229 D HA 0.177 4.817 4.640 0.000 0.000 0.249 229 D C 0.158 176.463 176.300 0.009 0.000 1.144 229 D CA 0.408 54.407 54.000 -0.002 0.000 0.880 229 D CB 1.678 42.478 40.800 0.001 0.000 1.182 229 D HN 0.765 nan 8.370 nan 0.000 0.451 230 G N 0.437 109.239 108.800 0.004 0.000 3.135 230 G HA2 0.344 4.304 3.960 0.000 0.000 0.278 230 G HA3 0.344 4.304 3.960 0.000 0.000 0.278 230 G C 0.824 175.734 174.900 0.017 0.000 1.302 230 G CA -0.650 44.462 45.100 0.020 0.000 0.880 230 G HN 0.404 nan 8.290 nan 0.000 0.574 231 L N -0.405 120.836 121.223 0.029 0.000 2.465 231 L HA 0.272 4.612 4.340 0.000 0.000 0.224 231 L C 0.428 177.312 176.870 0.024 0.000 1.145 231 L CA 0.934 55.792 54.840 0.029 0.000 0.834 231 L CB -0.511 41.573 42.059 0.041 0.000 0.944 231 L HN 0.133 nan 8.230 nan 0.000 0.451 232 I N -0.914 119.663 120.570 0.011 0.000 2.689 232 I HA 0.181 4.351 4.170 0.000 0.000 0.299 232 I C -0.374 175.710 176.117 -0.055 0.000 1.059 232 I CA -0.635 60.657 61.300 -0.014 0.000 1.055 232 I CB 2.164 40.158 38.000 -0.011 0.000 1.243 232 I HN -0.053 nan 8.210 nan 0.000 0.425 233 N N 2.810 121.469 118.700 -0.068 0.000 2.514 233 N HA 0.352 5.092 4.740 0.000 0.000 0.277 233 N C -1.004 174.431 175.510 -0.125 0.000 1.126 233 N CA -0.190 52.817 53.050 -0.073 0.000 0.978 233 N CB 1.853 40.310 38.487 -0.050 0.000 1.106 233 N HN 0.233 nan 8.380 nan 0.000 0.461 234 V N 2.343 122.199 119.914 -0.096 0.000 2.357 234 V HA 0.203 4.323 4.120 0.000 0.000 0.281 234 V C -1.135 174.937 176.094 -0.035 0.000 1.015 234 V CA -0.763 61.473 62.300 -0.107 0.000 0.827 234 V CB 1.128 32.885 31.823 -0.111 0.000 1.018 234 V HN 0.663 nan 8.190 nan 0.000 0.432 235 D N 4.339 124.718 120.400 -0.036 0.000 2.343 235 D HA 0.127 4.767 4.640 0.000 0.000 0.255 235 D C 0.765 177.098 176.300 0.055 0.000 1.187 235 D CA -0.079 53.931 54.000 0.017 0.000 0.875 235 D CB 0.947 41.741 40.800 -0.009 0.000 1.136 235 D HN 0.499 nan 8.370 nan 0.000 0.469 236 F N 4.260 124.192 119.950 -0.030 0.000 2.250 236 F HA -0.146 4.381 4.527 0.000 0.000 0.301 236 F C 1.986 177.774 175.800 -0.020 0.000 1.077 236 F CA 1.526 59.514 58.000 -0.020 0.000 1.348 236 F CB -0.114 38.880 39.000 -0.010 0.000 1.040 236 F HN 0.502 nan 8.300 nan 0.000 0.509 237 A N -0.231 122.580 122.820 -0.015 0.000 1.972 237 A HA -0.181 4.139 4.320 0.000 0.000 0.219 237 A C 1.966 179.456 177.584 -0.157 0.000 1.169 237 A CA 1.982 53.962 52.037 -0.095 0.000 0.635 237 A CB -0.771 18.224 19.000 -0.009 0.000 0.810 237 A HN 0.411 nan 8.150 nan 0.000 0.446 238 D N -0.534 119.791 120.400 -0.124 0.000 2.162 238 D HA -0.036 4.604 4.640 0.000 0.000 0.203 238 D C 2.072 178.279 176.300 -0.155 0.000 0.967 238 D CA 1.118 55.050 54.000 -0.113 0.000 0.840 238 D CB -0.337 40.415 40.800 -0.080 0.000 0.972 238 D HN 0.208 nan 8.370 nan 0.000 0.482 239 V N 1.076 120.866 119.914 -0.206 0.000 2.343 239 V HA -0.231 3.890 4.120 0.000 0.000 0.247 239 V C 2.445 178.353 176.094 -0.309 0.000 1.051 239 V CA 1.536 63.708 62.300 -0.214 0.000 1.036 239 V CB -0.356 31.357 31.823 -0.183 0.000 0.654 239 V HN 0.125 nan 8.190 nan 0.000 0.451 240 K N 0.064 120.152 120.400 -0.521 0.000 2.097 240 K HA -0.139 4.181 4.320 0.000 0.000 0.206 240 K C 2.183 178.636 176.600 -0.244 0.000 1.049 240 K CA 1.424 57.427 56.287 -0.473 0.000 0.933 240 K CB -0.326 31.802 32.500 -0.621 0.000 0.717 240 K HN 0.433 nan 8.250 nan 0.000 0.442 241 A N 0.388 123.092 122.820 -0.192 0.000 1.858 241 A HA -0.115 4.205 4.320 0.000 0.000 0.216 241 A C 2.198 179.727 177.584 -0.091 0.000 1.190 241 A CA 1.759 53.727 52.037 -0.116 0.000 0.617 241 A CB -0.735 18.213 19.000 -0.088 0.000 0.827 241 A HN 0.149 nan 8.150 nan 0.000 0.443 242 V N -0.205 119.657 119.914 -0.087 0.000 2.594 242 V HA -0.227 3.893 4.120 0.000 0.000 0.253 242 V C 2.367 178.427 176.094 -0.057 0.000 1.069 242 V CA 1.951 64.217 62.300 -0.056 0.000 1.082 242 V CB -0.688 31.113 31.823 -0.037 0.000 0.680 242 V HN 0.544 nan 8.190 nan 0.000 0.469 243 M N -0.568 118.981 119.600 -0.085 0.000 2.441 243 M HA 0.101 4.581 4.480 0.000 0.000 0.244 243 M C 1.631 177.882 176.300 -0.083 0.000 1.122 243 M CA 0.238 55.490 55.300 -0.079 0.000 1.041 243 M CB -0.272 32.269 32.600 -0.098 0.000 1.438 243 M HN 0.285 nan 8.290 nan 0.000 0.484 244 N N 2.402 121.049 118.700 -0.088 0.000 2.520 244 N HA -0.083 4.657 4.740 0.000 0.000 0.185 244 N C 0.185 175.664 175.510 -0.052 0.000 1.068 244 N CA 0.949 53.955 53.050 -0.074 0.000 0.911 244 N CB -0.038 38.404 38.487 -0.074 0.000 0.961 244 N HN 0.646 nan 8.380 nan 0.000 0.446 245 N N -2.761 115.911 118.700 -0.046 0.000 2.475 245 N HA 0.177 4.918 4.740 0.000 0.000 0.272 245 N C 1.109 176.601 175.510 -0.030 0.000 1.482 245 N CA -0.227 52.802 53.050 -0.036 0.000 0.863 245 N CB 0.230 38.697 38.487 -0.033 0.000 1.400 245 N HN -0.177 nan 8.380 nan 0.000 0.489 246 G N 0.290 109.072 108.800 -0.030 0.000 2.462 246 G HA2 0.121 4.081 3.960 0.000 0.000 0.220 246 G HA3 0.121 4.081 3.960 0.000 0.000 0.220 246 G C 1.162 176.055 174.900 -0.011 0.000 1.121 246 G CA 0.730 45.820 45.100 -0.017 0.000 0.758 246 G HN 0.750 nan 8.290 nan 0.000 0.559 247 G N -0.296 108.494 108.800 -0.017 0.000 2.596 247 G HA2 -0.311 3.649 3.960 0.000 0.000 0.304 247 G HA3 -0.311 3.649 3.960 0.000 0.000 0.304 247 G C 0.107 175.006 174.900 -0.001 0.000 1.189 247 G CA 0.271 45.359 45.100 -0.020 0.000 0.986 247 G HN 0.746 nan 8.290 nan 0.000 0.548 248 L N 1.367 122.593 121.223 0.006 0.000 2.317 248 L HA 0.701 5.041 4.340 0.000 0.000 0.281 248 L C 0.442 177.335 176.870 0.039 0.000 1.024 248 L CA -0.133 54.730 54.840 0.039 0.000 0.810 248 L CB 1.357 43.447 42.059 0.052 0.000 1.240 248 L HN 1.345 nan 8.230 nan 0.000 0.427 249 A N 5.704 128.554 122.820 0.050 0.000 2.475 249 A HA 0.828 5.148 4.320 0.000 0.000 0.301 249 A C -1.140 176.472 177.584 0.047 0.000 1.059 249 A CA -0.644 51.420 52.037 0.044 0.000 0.710 249 A CB 2.112 21.138 19.000 0.043 0.000 1.288 249 A HN 0.738 nan 8.150 nan 0.000 0.408 250 M N 2.806 122.430 119.600 0.041 0.000 2.327 250 M HA 0.385 4.865 4.480 0.000 0.000 0.298 250 M C -0.284 176.035 176.300 0.032 0.000 1.065 250 M CA -0.365 54.956 55.300 0.035 0.000 0.916 250 M CB 1.939 34.558 32.600 0.031 0.000 1.630 250 M HN 0.809 nan 8.290 nan 0.000 0.442 251 I N 1.620 122.207 120.570 0.028 0.000 3.112 251 I HA 0.499 4.669 4.170 0.000 0.000 0.284 251 I C 0.023 176.152 176.117 0.019 0.000 1.227 251 I CA 0.482 61.798 61.300 0.026 0.000 1.369 251 I CB 0.828 38.839 38.000 0.019 0.000 1.376 251 I HN 0.813 nan 8.210 nan 0.000 0.608 252 G N 7.748 116.559 108.800 0.018 0.000 2.513 252 G HA2 0.487 4.448 3.960 0.000 0.000 0.282 252 G HA3 0.487 4.448 3.960 0.000 0.000 0.282 252 G C -1.193 173.713 174.900 0.011 0.000 1.397 252 G CA -0.515 44.593 45.100 0.014 0.000 1.291 252 G HN 0.550 nan 8.290 nan 0.000 0.596 253 I N 1.461 122.034 120.570 0.004 0.000 2.525 253 I HA 0.854 5.024 4.170 0.000 0.000 0.301 253 I C 0.664 176.780 176.117 -0.002 0.000 0.992 253 I CA -0.856 60.443 61.300 -0.002 0.000 1.162 253 I CB 2.384 40.379 38.000 -0.008 0.000 1.332 253 I HN 0.594 nan 8.210 nan 0.000 0.458 254 G N 3.637 112.434 108.800 -0.005 0.000 2.698 254 G HA2 0.700 4.661 3.960 0.000 0.000 0.293 254 G HA3 0.700 4.661 3.960 0.000 0.000 0.293 254 G C -1.907 172.988 174.900 -0.009 0.000 1.437 254 G CA -0.504 44.594 45.100 -0.004 0.000 0.852 254 G HN 0.738 nan 8.290 nan 0.000 0.499 255 E N -1.019 119.177 120.200 -0.007 0.000 2.422 255 E HA 0.596 4.946 4.350 0.000 0.000 0.289 255 E C -1.415 175.182 176.600 -0.005 0.000 0.985 255 E CA -0.929 55.466 56.400 -0.009 0.000 0.812 255 E CB 1.601 31.292 29.700 -0.014 0.000 1.226 255 E HN 0.569 nan 8.360 nan 0.000 0.419 256 S N 0.285 115.983 115.700 -0.004 0.000 2.634 256 S HA 0.384 4.854 4.470 0.000 0.000 0.296 256 S C -0.819 173.780 174.600 -0.002 0.000 1.104 256 S CA -0.393 57.806 58.200 -0.002 0.000 0.920 256 S CB 1.889 65.089 63.200 -0.000 0.000 1.111 256 S HN 0.694 nan 8.310 nan 0.000 0.493 257 D N 0.476 120.875 120.400 -0.001 0.000 2.448 257 D HA 0.156 4.796 4.640 0.000 0.000 0.256 257 D C 1.009 177.310 176.300 0.001 0.000 1.108 257 D CA 0.462 54.461 54.000 -0.000 0.000 0.848 257 D CB 0.433 41.233 40.800 -0.000 0.000 1.281 257 D HN 0.579 nan 8.370 nan 0.000 0.509 258 S N 0.315 116.015 115.700 0.001 0.000 2.629 258 S HA 0.049 4.519 4.470 0.000 0.000 0.250 258 S C 1.430 176.031 174.600 0.002 0.000 1.318 258 S CA -0.117 58.084 58.200 0.002 0.000 0.970 258 S CB 0.592 63.793 63.200 0.002 0.000 0.996 258 S HN -0.047 nan 8.310 nan 0.000 0.563 259 E N 1.576 121.777 120.200 0.002 0.000 2.007 259 E HA -0.094 4.256 4.350 0.000 0.000 0.194 259 E C 1.177 177.778 176.600 0.002 0.000 0.999 259 E CA 1.183 57.585 56.400 0.002 0.000 0.811 259 E CB -0.322 29.380 29.700 0.002 0.000 0.762 259 E HN 0.746 nan 8.360 nan 0.000 0.450 260 K N 2.516 122.917 120.400 0.002 0.000 3.226 260 K HA 0.092 4.412 4.320 0.000 0.000 0.268 260 K C 1.161 177.763 176.600 0.002 0.000 1.217 260 K CA -0.081 56.207 56.287 0.002 0.000 1.242 260 K CB -0.305 32.196 32.500 0.001 0.000 1.389 260 K HN 0.128 nan 8.250 nan 0.000 0.406 261 R N 0.067 120.569 120.500 0.002 0.000 2.119 261 R HA -0.237 4.103 4.340 0.000 0.000 0.246 261 R C 1.895 178.196 176.300 0.002 0.000 1.146 261 R CA 1.741 57.842 56.100 0.002 0.000 0.962 261 R CB -1.011 29.290 30.300 0.002 0.000 0.863 261 R HN 0.240 nan 8.270 nan 0.000 0.442 262 A N 1.734 124.556 122.820 0.004 0.000 1.858 262 A HA -0.205 4.115 4.320 0.000 0.000 0.216 262 A C 2.248 179.833 177.584 0.003 0.000 1.190 262 A CA 1.796 53.836 52.037 0.005 0.000 0.617 262 A CB -0.512 18.492 19.000 0.007 0.000 0.827 262 A HN 0.392 nan 8.150 nan 0.000 0.443 263 K N -0.131 120.270 120.400 0.001 0.000 2.211 263 K HA -0.157 4.163 4.320 0.000 0.000 0.204 263 K C 1.855 178.455 176.600 0.000 0.000 1.047 263 K CA 1.863 58.150 56.287 -0.000 0.000 0.935 263 K CB -0.123 32.377 32.500 -0.000 0.000 0.728 263 K HN 0.671 nan 8.250 nan 0.000 0.452 264 E N -0.855 119.346 120.200 0.001 0.000 2.045 264 E HA -0.015 4.335 4.350 0.000 0.000 0.190 264 E C 1.986 178.587 176.600 0.001 0.000 0.968 264 E CA 0.607 57.008 56.400 0.001 0.000 0.813 264 E CB -0.136 29.565 29.700 0.001 0.000 0.780 264 E HN 0.372 nan 8.360 nan 0.000 0.455 265 A N 1.188 124.008 122.820 0.001 0.000 1.940 265 A HA -0.237 4.083 4.320 0.000 0.000 0.221 265 A C 2.435 180.020 177.584 0.002 0.000 1.190 265 A CA 1.816 53.853 52.037 0.000 0.000 0.647 265 A CB -0.977 18.023 19.000 -0.001 0.000 0.821 265 A HN 0.136 nan 8.150 nan 0.000 0.457 266 V N 0.762 120.678 119.914 0.003 0.000 2.216 266 V HA -0.265 3.855 4.120 0.000 0.000 0.243 266 V C 2.868 178.964 176.094 0.004 0.000 1.044 266 V CA 2.477 64.780 62.300 0.004 0.000 0.995 266 V CB -1.399 30.424 31.823 0.001 0.000 0.633 266 V HN 0.803 nan 8.190 nan 0.000 0.446 267 S N -0.248 115.453 115.700 0.002 0.000 2.465 267 S HA -0.265 4.205 4.470 0.000 0.000 0.241 267 S C 1.885 176.487 174.600 0.004 0.000 1.000 267 S CA 2.088 60.290 58.200 0.003 0.000 0.964 267 S CB -0.690 62.511 63.200 0.002 0.000 0.763 267 S HN 0.570 nan 8.310 nan 0.000 0.512 268 M N 1.207 120.810 119.600 0.004 0.000 2.193 268 M HA 0.149 4.629 4.480 0.000 0.000 0.265 268 M C 2.294 178.597 176.300 0.006 0.000 1.071 268 M CA 1.370 56.673 55.300 0.005 0.000 1.140 268 M CB -0.365 32.237 32.600 0.003 0.000 1.369 268 M HN 0.459 nan 8.290 nan 0.000 0.423 269 A N 0.350 123.174 122.820 0.005 0.000 1.968 269 A HA -0.030 4.290 4.320 0.000 0.000 0.217 269 A C 1.916 179.506 177.584 0.010 0.000 1.169 269 A CA 0.922 52.964 52.037 0.007 0.000 0.638 269 A CB -0.819 18.186 19.000 0.008 0.000 0.812 269 A HN 0.566 nan 8.150 nan 0.000 0.446 270 L N -0.761 120.468 121.223 0.009 0.000 2.376 270 L HA -0.077 4.263 4.340 0.000 0.000 0.219 270 L C 1.203 178.078 176.870 0.009 0.000 1.133 270 L CA 0.961 55.806 54.840 0.009 0.000 0.816 270 L CB -0.289 41.774 42.059 0.006 0.000 0.933 270 L HN 0.492 nan 8.230 nan 0.000 0.449 271 N N -1.589 117.117 118.700 0.009 0.000 2.200 271 N HA 0.023 4.763 4.740 0.000 0.000 0.224 271 N C 0.184 175.701 175.510 0.012 0.000 1.179 271 N CA -0.247 52.810 53.050 0.010 0.000 0.877 271 N CB 0.776 39.269 38.487 0.009 0.000 1.072 271 N HN -0.040 nan 8.380 nan 0.000 0.519 272 S N 2.355 118.062 115.700 0.011 0.000 2.510 272 S HA 0.108 4.578 4.470 0.000 0.000 0.279 272 S C -1.149 173.458 174.600 0.012 0.000 1.284 272 S CA -1.491 56.715 58.200 0.010 0.000 1.059 272 S CB 0.685 63.890 63.200 0.007 0.000 0.901 272 S HN 0.188 nan 8.310 nan 0.000 0.491 273 P HA -0.128 nan 4.420 nan 0.000 0.222 273 P C 1.214 178.521 177.300 0.012 0.000 1.142 273 P CA 0.650 63.761 63.100 0.018 0.000 0.788 273 P CB 0.113 31.829 31.700 0.027 0.000 0.767 274 L N -1.020 120.206 121.223 0.005 0.000 2.275 274 L HA -0.046 4.294 4.340 0.000 0.000 0.215 274 L C 1.909 178.781 176.870 0.004 0.000 1.119 274 L CA 1.153 55.992 54.840 -0.003 0.000 0.790 274 L CB -1.019 41.035 42.059 -0.008 0.000 0.919 274 L HN -0.026 nan 8.230 nan 0.000 0.443 275 L N 0.480 121.709 121.223 0.010 0.000 2.480 275 L HA 0.059 4.399 4.340 0.000 0.000 0.243 275 L C -0.085 176.795 176.870 0.017 0.000 1.315 275 L CA -0.252 54.597 54.840 0.015 0.000 1.231 275 L CB -0.345 41.724 42.059 0.016 0.000 1.444 275 L HN 0.039 nan 8.230 nan 0.000 0.409 276 D N 1.957 122.367 120.400 0.017 0.000 2.508 276 D HA 0.327 4.967 4.640 0.000 0.000 0.224 276 D C -0.728 175.588 176.300 0.025 0.000 1.171 276 D CA 0.323 54.335 54.000 0.020 0.000 1.006 276 D CB 0.366 41.176 40.800 0.017 0.000 1.073 276 D HN 0.057 nan 8.370 nan 0.000 0.513 277 V N 2.553 122.481 119.914 0.023 0.000 2.934 277 V HA 0.114 4.234 4.120 0.000 0.000 0.256 277 V C -1.630 174.476 176.094 0.019 0.000 1.791 277 V CA -1.091 61.224 62.300 0.025 0.000 0.927 277 V CB 1.952 33.792 31.823 0.030 0.000 1.354 277 V HN 0.252 nan 8.190 nan 0.000 0.455 278 D N 3.687 124.097 120.400 0.017 0.000 2.382 278 D HA 0.357 4.997 4.640 0.000 0.000 0.245 278 D C 0.953 177.260 176.300 0.012 0.000 1.120 278 D CA 0.476 54.483 54.000 0.013 0.000 0.890 278 D CB 1.316 42.122 40.800 0.011 0.000 1.201 278 D HN 0.729 nan 8.370 nan 0.000 0.433 279 I N -0.511 120.065 120.570 0.010 0.000 4.147 279 I HA 0.185 4.355 4.170 0.000 0.000 0.329 279 I C 0.980 177.101 176.117 0.006 0.000 1.424 279 I CA -0.411 60.895 61.300 0.010 0.000 1.127 279 I CB 0.329 38.336 38.000 0.011 0.000 1.128 279 I HN 0.103 nan 8.210 nan 0.000 0.417 280 D N 2.395 122.798 120.400 0.005 0.000 2.228 280 D HA -0.176 4.464 4.640 0.000 0.000 0.203 280 D C 1.699 178.000 176.300 0.001 0.000 0.988 280 D CA 1.564 55.566 54.000 0.002 0.000 0.864 280 D CB -0.516 40.285 40.800 0.002 0.000 0.928 280 D HN 0.422 nan 8.370 nan 0.000 0.469 281 G N -0.710 108.091 108.800 0.002 0.000 3.959 281 G HA2 0.479 4.439 3.960 0.000 0.000 0.298 281 G HA3 0.479 4.439 3.960 0.000 0.000 0.298 281 G C 0.160 175.060 174.900 0.001 0.000 1.211 281 G CA -0.131 44.969 45.100 -0.000 0.000 1.001 281 G HN 0.507 nan 8.290 nan 0.000 0.561 282 A N -0.223 122.599 122.820 0.003 0.000 2.546 282 A HA 0.430 4.750 4.320 0.000 0.000 0.243 282 A C 1.448 179.034 177.584 0.003 0.000 1.063 282 A CA 0.800 52.840 52.037 0.005 0.000 0.757 282 A CB 0.559 19.564 19.000 0.008 0.000 0.991 282 A HN 0.218 nan 8.150 nan 0.000 0.503 283 T N 1.647 116.202 114.554 0.002 0.000 2.939 283 T HA 0.359 4.709 4.350 0.000 0.000 0.254 283 T C 0.922 175.624 174.700 0.003 0.000 1.041 283 T CA 1.527 63.627 62.100 -0.000 0.000 1.142 283 T CB -0.201 68.664 68.868 -0.005 0.000 0.874 283 T HN 1.122 nan 8.240 nan 0.000 0.452 284 G N -0.516 108.288 108.800 0.007 0.000 2.725 284 G HA2 0.735 4.695 3.960 0.000 0.000 0.288 284 G HA3 0.735 4.695 3.960 0.000 0.000 0.288 284 G C -1.716 173.198 174.900 0.022 0.000 1.399 284 G CA -0.096 45.012 45.100 0.013 0.000 0.859 284 G HN 0.511 nan 8.290 nan 0.000 0.479 285 A N -0.953 121.887 122.820 0.034 0.000 2.601 285 A HA 0.793 5.113 4.320 0.000 0.000 0.291 285 A C -1.933 175.690 177.584 0.065 0.000 1.075 285 A CA -0.522 51.543 52.037 0.046 0.000 0.671 285 A CB 1.204 20.230 19.000 0.045 0.000 1.277 285 A HN 0.983 nan 8.150 nan 0.000 0.417 286 L N 1.262 122.530 121.223 0.075 0.000 2.482 286 L HA 0.564 4.905 4.340 0.000 0.000 0.269 286 L C -1.213 175.724 176.870 0.112 0.000 0.967 286 L CA -0.027 54.868 54.840 0.091 0.000 0.851 286 L CB 1.678 43.786 42.059 0.082 0.000 1.242 286 L HN 0.630 nan 8.230 nan 0.000 0.404 287 I N 2.014 122.671 120.570 0.145 0.000 2.474 287 I HA 0.373 4.543 4.170 0.000 0.000 0.294 287 I C -0.554 175.691 176.117 0.213 0.000 1.005 287 I CA -0.537 60.860 61.300 0.161 0.000 1.113 287 I CB 1.957 40.047 38.000 0.150 0.000 1.289 287 I HN 0.611 nan 8.210 nan 0.000 0.436 288 H N 5.592 124.706 119.070 0.073 0.000 3.036 288 H HA 0.400 4.956 4.556 0.000 0.000 0.295 288 H C -1.580 173.778 175.328 0.048 0.000 1.124 288 H CA -0.653 55.431 56.048 0.061 0.000 1.507 288 H CB 1.775 31.563 29.762 0.043 0.000 1.591 288 H HN 0.432 nan 8.280 nan 0.000 0.510 289 V N 7.255 127.320 119.914 0.252 0.000 2.408 289 V HA 0.346 4.466 4.120 0.000 0.000 0.267 289 V C -0.466 175.682 176.094 0.089 0.000 1.047 289 V CA -0.052 62.315 62.300 0.112 0.000 0.937 289 V CB 0.540 32.422 31.823 0.099 0.000 0.999 289 V HN 0.740 nan 8.190 nan 0.000 0.472 290 M N 6.369 125.946 119.600 -0.037 0.000 2.578 290 M HA 0.905 5.385 4.480 0.000 0.000 0.321 290 M C 0.297 176.584 176.300 -0.021 0.000 1.182 290 M CA -0.112 55.156 55.300 -0.054 0.000 0.965 290 M CB 2.203 34.693 32.600 -0.185 0.000 1.694 290 M HN 0.808 nan 8.290 nan 0.000 0.461 291 G N 0.605 109.402 108.800 -0.005 0.000 2.489 291 G HA2 0.582 4.542 3.960 0.000 0.000 0.305 291 G HA3 0.582 4.542 3.960 0.000 0.000 0.305 291 G C -3.407 171.496 174.900 0.004 0.000 1.311 291 G CA -0.799 44.300 45.100 -0.001 0.000 0.813 291 G HN 0.399 nan 8.290 nan 0.000 0.480 292 P HA 0.216 nan 4.420 nan 0.000 0.275 292 P C 0.324 177.630 177.300 0.010 0.000 1.266 292 P CA -0.026 63.078 63.100 0.005 0.000 0.793 292 P CB 1.492 33.194 31.700 0.004 0.000 1.074 293 E N 0.794 120.999 120.200 0.009 0.000 2.219 293 E HA -0.229 4.121 4.350 0.000 0.000 0.198 293 E C 0.698 177.305 176.600 0.012 0.000 0.998 293 E CA 1.939 58.345 56.400 0.011 0.000 0.818 293 E CB -1.021 28.685 29.700 0.008 0.000 0.741 293 E HN 0.453 nan 8.360 nan 0.000 0.477 294 D N -0.455 119.951 120.400 0.010 0.000 2.352 294 D HA 0.010 4.650 4.640 0.000 0.000 0.236 294 D C 0.083 176.391 176.300 0.013 0.000 1.148 294 D CA -0.336 53.670 54.000 0.011 0.000 0.844 294 D CB -0.382 40.423 40.800 0.009 0.000 0.933 294 D HN 0.146 nan 8.370 nan 0.000 0.507 295 L N 1.894 123.127 121.223 0.017 0.000 2.455 295 L HA 0.303 4.643 4.340 0.000 0.000 0.272 295 L C 0.247 177.132 176.870 0.024 0.000 1.174 295 L CA 0.286 55.139 54.840 0.021 0.000 0.869 295 L CB 0.599 42.675 42.059 0.027 0.000 1.130 295 L HN 0.256 nan 8.230 nan 0.000 0.474 296 T N 1.826 116.394 114.554 0.024 0.000 2.950 296 T HA 0.410 4.760 4.350 0.000 0.000 0.288 296 T C 1.226 175.944 174.700 0.031 0.000 1.035 296 T CA -0.840 61.275 62.100 0.024 0.000 1.028 296 T CB 0.864 69.743 68.868 0.019 0.000 1.109 296 T HN 0.553 nan 8.240 nan 0.000 0.514 297 L N 0.461 121.703 121.223 0.032 0.000 2.275 297 L HA -0.024 4.316 4.340 0.000 0.000 0.215 297 L C 2.705 179.594 176.870 0.032 0.000 1.119 297 L CA 0.950 55.814 54.840 0.039 0.000 0.790 297 L CB -0.409 41.673 42.059 0.038 0.000 0.919 297 L HN 0.704 nan 8.230 nan 0.000 0.443 298 E N 0.363 120.577 120.200 0.023 0.000 2.028 298 E HA -0.186 4.164 4.350 0.000 0.000 0.190 298 E C 2.008 178.616 176.600 0.013 0.000 0.984 298 E CA 1.050 57.458 56.400 0.015 0.000 0.800 298 E CB -0.085 29.621 29.700 0.011 0.000 0.758 298 E HN 0.532 nan 8.360 nan 0.000 0.448 299 E N 1.183 121.393 120.200 0.016 0.000 2.038 299 E HA -0.188 4.162 4.350 0.000 0.000 0.195 299 E C 2.085 178.696 176.600 0.019 0.000 1.000 299 E CA 1.342 57.751 56.400 0.015 0.000 0.803 299 E CB -0.214 29.496 29.700 0.017 0.000 0.750 299 E HN 0.223 nan 8.360 nan 0.000 0.448 300 A N 1.304 124.144 122.820 0.034 0.000 1.873 300 A HA -0.302 4.018 4.320 0.000 0.000 0.218 300 A C 2.133 179.731 177.584 0.023 0.000 1.193 300 A CA 2.140 54.208 52.037 0.051 0.000 0.629 300 A CB -0.597 18.453 19.000 0.083 0.000 0.826 300 A HN 0.052 nan 8.150 nan 0.000 0.447 301 R N -0.212 120.296 120.500 0.013 0.000 2.096 301 R HA -0.196 4.144 4.340 0.000 0.000 0.240 301 R C 2.127 178.402 176.300 -0.042 0.000 1.139 301 R CA 2.055 58.141 56.100 -0.024 0.000 0.952 301 R CB -0.478 29.818 30.300 -0.007 0.000 0.854 301 R HN 0.635 nan 8.270 nan 0.000 0.436 302 E N -0.464 119.725 120.200 -0.019 0.000 2.058 302 E HA -0.150 4.200 4.350 0.000 0.000 0.194 302 E C 1.788 178.374 176.600 -0.024 0.000 0.997 302 E CA 1.907 58.295 56.400 -0.019 0.000 0.801 302 E CB -0.350 29.346 29.700 -0.007 0.000 0.746 302 E HN 0.169 nan 8.360 nan 0.000 0.450 303 V N -0.165 119.739 119.914 -0.016 0.000 2.233 303 V HA -0.280 3.840 4.120 0.000 0.000 0.247 303 V C 2.482 178.552 176.094 -0.039 0.000 1.050 303 V CA 1.772 64.064 62.300 -0.013 0.000 1.010 303 V CB -0.639 31.191 31.823 0.011 0.000 0.637 303 V HN 0.220 nan 8.190 nan 0.000 0.444 304 V N 0.313 120.180 119.914 -0.079 0.000 2.252 304 V HA -0.321 3.799 4.120 0.000 0.000 0.249 304 V C 2.747 178.756 176.094 -0.141 0.000 1.056 304 V CA 2.223 64.425 62.300 -0.164 0.000 1.022 304 V CB -1.350 30.241 31.823 -0.387 0.000 0.641 304 V HN 0.581 nan 8.190 nan 0.000 0.445 305 A N -0.282 122.467 122.820 -0.118 0.000 1.903 305 A HA -0.308 4.012 4.320 0.000 0.000 0.219 305 A C 2.387 179.935 177.584 -0.058 0.000 1.191 305 A CA 2.928 54.914 52.037 -0.085 0.000 0.638 305 A CB -1.187 17.776 19.000 -0.061 0.000 0.823 305 A HN 0.539 nan 8.150 nan 0.000 0.451 306 T N -0.416 114.111 114.554 -0.045 0.000 2.622 306 T HA -0.141 4.209 4.350 0.000 0.000 0.266 306 T C 1.862 176.546 174.700 -0.026 0.000 1.047 306 T CA 1.766 63.849 62.100 -0.029 0.000 1.159 306 T CB -0.617 68.240 68.868 -0.019 0.000 0.863 306 T HN 0.152 nan 8.240 nan 0.000 0.422 307 V N 1.311 121.208 119.914 -0.028 0.000 2.594 307 V HA -0.157 3.963 4.120 0.000 0.000 0.253 307 V C 2.686 178.765 176.094 -0.025 0.000 1.069 307 V CA 1.795 64.083 62.300 -0.019 0.000 1.082 307 V CB -0.739 31.077 31.823 -0.011 0.000 0.680 307 V HN 0.485 nan 8.190 nan 0.000 0.469 308 S N 0.809 116.482 115.700 -0.045 0.000 2.368 308 S HA -0.149 4.321 4.470 0.000 0.000 0.224 308 S C 2.033 176.616 174.600 -0.029 0.000 1.029 308 S CA 1.662 59.835 58.200 -0.045 0.000 0.988 308 S CB -0.310 62.846 63.200 -0.074 0.000 0.838 308 S HN 0.801 nan 8.310 nan 0.000 0.462 309 S N 0.356 116.040 115.700 -0.027 0.000 2.720 309 S HA 0.226 4.696 4.470 0.000 0.000 0.222 309 S C 1.337 175.930 174.600 -0.012 0.000 0.958 309 S CA -0.251 57.938 58.200 -0.018 0.000 0.943 309 S CB -0.120 63.069 63.200 -0.018 0.000 0.779 309 S HN 0.347 nan 8.310 nan 0.000 0.526 310 R N 0.197 120.691 120.500 -0.010 0.000 2.287 310 R HA 0.461 4.801 4.340 0.000 0.000 0.197 310 R C 0.743 177.041 176.300 -0.002 0.000 0.900 310 R CA 0.129 56.227 56.100 -0.005 0.000 1.052 310 R CB -0.403 29.895 30.300 -0.003 0.000 1.117 310 R HN 0.415 nan 8.270 nan 0.000 0.568 311 L N 0.651 121.872 121.223 -0.003 0.000 2.642 311 L HA 0.296 4.636 4.340 0.000 0.000 0.229 311 L C 0.450 177.319 176.870 -0.002 0.000 1.179 311 L CA -0.992 53.848 54.840 0.000 0.000 0.834 311 L CB -0.001 42.060 42.059 0.003 0.000 1.515 311 L HN -0.099 nan 8.230 nan 0.000 0.512 312 D N 0.967 121.367 120.400 -0.000 0.000 2.488 312 D HA -0.003 4.637 4.640 0.000 0.000 0.238 312 D C -1.491 174.807 176.300 -0.002 0.000 1.138 312 D CA -1.047 52.952 54.000 -0.002 0.000 0.873 312 D CB 0.809 41.608 40.800 -0.001 0.000 1.183 312 D HN 0.229 nan 8.370 nan 0.000 0.458 313 P HA -0.169 nan 4.420 nan 0.000 0.224 313 P C -0.282 177.016 177.300 -0.003 0.000 1.142 313 P CA 1.146 64.244 63.100 -0.004 0.000 0.778 313 P CB 0.129 31.826 31.700 -0.004 0.000 0.764 314 N N -0.607 118.092 118.700 -0.001 0.000 2.480 314 N HA 0.318 5.058 4.740 0.000 0.000 0.281 314 N C -0.430 175.082 175.510 0.003 0.000 1.381 314 N CA -0.412 52.639 53.050 0.001 0.000 0.903 314 N CB 0.571 39.058 38.487 -0.000 0.000 1.274 314 N HN 0.036 nan 8.380 nan 0.000 0.505 315 A N 0.996 123.819 122.820 0.004 0.000 2.328 315 A HA 0.283 4.603 4.320 0.000 0.000 0.284 315 A C 0.681 178.275 177.584 0.016 0.000 1.160 315 A CA -0.355 51.687 52.037 0.008 0.000 0.818 315 A CB 0.209 19.213 19.000 0.007 0.000 1.087 315 A HN 0.255 nan 8.150 nan 0.000 0.504 316 T N 1.223 115.788 114.554 0.017 0.000 2.752 316 T HA 0.531 4.881 4.350 0.000 0.000 0.295 316 T C -0.198 174.529 174.700 0.046 0.000 0.923 316 T CA 0.002 62.118 62.100 0.027 0.000 1.112 316 T CB -0.628 68.246 68.868 0.011 0.000 0.884 316 T HN 0.349 nan 8.240 nan 0.000 0.525 317 I N 4.456 125.077 120.570 0.085 0.000 2.378 317 I HA 0.403 4.573 4.170 0.000 0.000 0.291 317 I C -0.228 176.020 176.117 0.218 0.000 0.992 317 I CA -1.285 60.097 61.300 0.137 0.000 1.154 317 I CB 1.620 39.699 38.000 0.132 0.000 1.315 317 I HN 0.441 nan 8.210 nan 0.000 0.448 318 I N 7.311 127.975 120.570 0.158 0.000 2.339 318 I HA 0.343 4.513 4.170 0.000 0.000 0.290 318 I C -0.705 175.494 176.117 0.138 0.000 0.994 318 I CA -0.652 60.685 61.300 0.061 0.000 1.191 318 I CB 0.923 38.922 38.000 -0.002 0.000 1.343 318 I HN 0.461 nan 8.210 nan 0.000 0.458 319 Y N 3.455 123.755 120.300 0.001 0.000 2.524 319 Y HA 0.915 5.465 4.550 0.000 0.000 0.347 319 Y C -0.184 175.711 175.900 -0.007 0.000 1.005 319 Y CA -1.388 56.716 58.100 0.008 0.000 1.025 319 Y CB 1.561 40.032 38.460 0.019 0.000 1.275 319 Y HN 0.608 nan 8.280 nan 0.000 0.460 320 G N 0.108 108.939 108.800 0.053 0.000 2.694 320 G HA2 0.763 4.723 3.960 0.000 0.000 0.290 320 G HA3 0.763 4.723 3.960 0.000 0.000 0.290 320 G C -1.984 172.981 174.900 0.109 0.000 1.386 320 G CA -0.850 44.237 45.100 -0.022 0.000 0.872 320 G HN 1.275 nan 8.290 nan 0.000 0.475 321 A N 0.552 123.430 122.820 0.097 0.000 2.569 321 A HA 0.759 5.079 4.320 0.000 0.000 0.282 321 A C 0.054 177.715 177.584 0.128 0.000 1.165 321 A CA -0.002 52.126 52.037 0.151 0.000 0.747 321 A CB 0.721 19.794 19.000 0.120 0.000 1.215 321 A HN 1.532 nan 8.150 nan 0.000 0.431 322 T N -0.424 114.248 114.554 0.198 0.000 2.948 322 T HA 0.801 5.151 4.350 0.000 0.000 0.285 322 T C -0.139 174.617 174.700 0.093 0.000 1.019 322 T CA -0.686 61.504 62.100 0.151 0.000 1.013 322 T CB 1.004 70.012 68.868 0.233 0.000 1.117 322 T HN 0.390 nan 8.240 nan 0.000 0.533 323 I N 1.520 122.127 120.570 0.062 0.000 2.354 323 I HA 0.307 4.477 4.170 0.000 0.000 0.292 323 I C -0.432 175.701 176.117 0.027 0.000 0.989 323 I CA -0.736 60.586 61.300 0.036 0.000 1.188 323 I CB 1.470 39.486 38.000 0.027 0.000 1.342 323 I HN 0.729 nan 8.210 nan 0.000 0.457 324 D N 4.833 125.240 120.400 0.011 0.000 2.295 324 D HA 0.061 4.701 4.640 0.000 0.000 0.248 324 D C 1.047 177.348 176.300 0.001 0.000 1.154 324 D CA -0.106 53.894 54.000 0.001 0.000 0.857 324 D CB 1.177 41.966 40.800 -0.018 0.000 1.117 324 D HN 0.540 nan 8.370 nan 0.000 0.468 325 E N 3.611 123.813 120.200 0.003 0.000 2.170 325 E HA -0.328 4.022 4.350 0.000 0.000 0.229 325 E C -0.270 176.329 176.600 -0.000 0.000 1.074 325 E CA 2.055 58.456 56.400 0.002 0.000 0.930 325 E CB -0.215 29.485 29.700 0.001 0.000 0.806 325 E HN 0.655 nan 8.360 nan 0.000 0.478 326 N N 0.077 118.775 118.700 -0.004 0.000 2.817 326 N HA 0.389 5.129 4.740 0.000 0.000 0.234 326 N C -1.383 174.123 175.510 -0.007 0.000 1.066 326 N CA -0.290 52.757 53.050 -0.005 0.000 0.926 326 N CB 1.303 39.787 38.487 -0.005 0.000 1.176 326 N HN 0.136 nan 8.380 nan 0.000 0.506 327 L N 1.409 122.629 121.223 -0.005 0.000 2.487 327 L HA 0.233 4.573 4.340 0.000 0.000 0.261 327 L C 0.703 177.571 176.870 -0.003 0.000 1.223 327 L CA -0.156 54.680 54.840 -0.007 0.000 0.883 327 L CB 0.895 42.948 42.059 -0.010 0.000 1.065 327 L HN 0.320 nan 8.230 nan 0.000 0.488 328 E N 1.647 121.845 120.200 -0.003 0.000 2.054 328 E HA -0.225 4.125 4.350 0.000 0.000 0.225 328 E C 0.250 176.850 176.600 -0.000 0.000 1.048 328 E CA 2.313 58.712 56.400 -0.001 0.000 0.899 328 E CB -0.004 29.695 29.700 -0.001 0.000 0.801 328 E HN 0.788 nan 8.360 nan 0.000 0.495 329 N N -0.761 117.939 118.700 -0.001 0.000 2.646 329 N HA 0.187 4.927 4.740 0.000 0.000 0.296 329 N C -1.361 174.148 175.510 -0.001 0.000 1.886 329 N CA -0.180 52.870 53.050 0.000 0.000 0.855 329 N CB 1.049 39.537 38.487 0.001 0.000 1.336 329 N HN -0.181 nan 8.380 nan 0.000 0.496 330 T N 0.098 114.650 114.554 -0.003 0.000 2.881 330 T HA 0.515 4.865 4.350 0.000 0.000 0.290 330 T C -0.593 174.102 174.700 -0.008 0.000 1.000 330 T CA -0.768 61.329 62.100 -0.005 0.000 0.978 330 T CB 1.962 70.825 68.868 -0.008 0.000 0.997 330 T HN 0.191 nan 8.240 nan 0.000 0.443 331 V N 1.826 121.736 119.914 -0.007 0.000 2.357 331 V HA 0.708 4.828 4.120 0.000 0.000 0.284 331 V C 0.011 176.095 176.094 -0.016 0.000 1.018 331 V CA -1.096 61.199 62.300 -0.009 0.000 0.841 331 V CB 1.105 32.928 31.823 0.000 0.000 0.991 331 V HN 0.846 nan 8.190 nan 0.000 0.437 332 R N 3.420 123.901 120.500 -0.031 0.000 2.536 332 R HA 0.856 5.197 4.340 0.000 0.000 0.279 332 R C -1.566 174.707 176.300 -0.045 0.000 1.001 332 R CA -0.529 55.546 56.100 -0.041 0.000 1.027 332 R CB 2.028 32.291 30.300 -0.061 0.000 1.096 332 R HN 0.670 nan 8.270 nan 0.000 0.502 333 V N 4.915 124.809 119.914 -0.033 0.000 2.686 333 V HA 0.339 4.459 4.120 0.000 0.000 0.306 333 V C -1.241 174.847 176.094 -0.011 0.000 1.065 333 V CA -0.914 61.376 62.300 -0.016 0.000 0.894 333 V CB 1.717 33.544 31.823 0.006 0.000 1.004 333 V HN 0.625 nan 8.190 nan 0.000 0.424 334 L N 6.129 127.354 121.223 0.004 0.000 2.329 334 L HA 0.798 5.138 4.340 0.000 0.000 0.279 334 L C -1.321 175.584 176.870 0.058 0.000 1.014 334 L CA -0.296 54.558 54.840 0.024 0.000 0.814 334 L CB 1.486 43.559 42.059 0.024 0.000 1.257 334 L HN 0.516 nan 8.230 nan 0.000 0.424 335 L N 5.634 126.885 121.223 0.047 0.000 2.381 335 L HA 0.591 4.931 4.340 0.000 0.000 0.274 335 L C -0.751 176.150 176.870 0.052 0.000 0.988 335 L CA -0.244 54.627 54.840 0.051 0.000 0.824 335 L CB 2.166 44.246 42.059 0.036 0.000 1.263 335 L HN 0.377 nan 8.230 nan 0.000 0.410 336 V N 5.377 125.328 119.914 0.062 0.000 2.315 336 V HA 0.326 4.446 4.120 0.000 0.000 0.265 336 V C -0.124 176.001 176.094 0.051 0.000 1.019 336 V CA -0.484 61.852 62.300 0.060 0.000 0.824 336 V CB 1.037 32.907 31.823 0.078 0.000 1.072 336 V HN 0.456 nan 8.190 nan 0.000 0.448 337 I N 4.856 125.450 120.570 0.041 0.000 2.406 337 I HA 0.205 4.375 4.170 0.000 0.000 0.293 337 I C 1.264 177.399 176.117 0.031 0.000 1.101 337 I CA 0.933 62.253 61.300 0.033 0.000 1.334 337 I CB 1.035 39.051 38.000 0.027 0.000 1.421 337 I HN 0.726 nan 8.210 nan 0.000 0.513 338 T N 2.061 116.631 114.554 0.027 0.000 2.912 338 T HA 0.642 4.992 4.350 0.000 0.000 0.280 338 T C 0.826 175.533 174.700 0.012 0.000 0.989 338 T CA -0.263 61.849 62.100 0.020 0.000 0.995 338 T CB 1.388 70.264 68.868 0.014 0.000 1.077 338 T HN 1.070 nan 8.240 nan 0.000 0.531 339 G N -0.196 108.607 108.800 0.005 0.000 2.324 339 G HA2 -0.133 3.827 3.960 0.000 0.000 0.292 339 G HA3 -0.133 3.827 3.960 0.000 0.000 0.292 339 G C 0.312 175.211 174.900 -0.001 0.000 1.079 339 G CA 0.280 45.378 45.100 -0.003 0.000 1.026 339 G HN 1.921 nan 8.290 nan 0.000 0.506 340 V N -2.437 117.480 119.914 0.004 0.000 3.346 340 V HA 0.283 4.403 4.120 0.000 0.000 0.309 340 V C 1.900 177.996 176.094 0.003 0.000 1.457 340 V CA 0.993 63.298 62.300 0.008 0.000 1.069 340 V CB 0.698 32.533 31.823 0.020 0.000 0.944 340 V HN 0.573 nan 8.190 nan 0.000 0.449 341 Q N 2.505 122.297 119.800 -0.014 0.000 2.439 341 Q HA -0.136 4.204 4.340 0.000 0.000 0.211 341 Q C 1.777 177.743 176.000 -0.057 0.000 0.978 341 Q CA 1.980 57.755 55.803 -0.047 0.000 0.897 341 Q CB -0.782 27.905 28.738 -0.084 0.000 0.956 341 Q HN 0.845 nan 8.270 nan 0.000 0.483 342 S N -0.202 115.477 115.700 -0.035 0.000 2.562 342 S HA 0.148 4.618 4.470 0.000 0.000 0.221 342 S C 1.291 175.880 174.600 -0.018 0.000 0.975 342 S CA -0.244 57.937 58.200 -0.032 0.000 0.918 342 S CB 0.260 63.445 63.200 -0.024 0.000 0.772 342 S HN 0.208 nan 8.310 nan 0.000 0.531 343 R N -0.200 120.296 120.500 -0.006 0.000 2.572 343 R HA 0.502 4.842 4.340 0.000 0.000 0.370 343 R C -1.055 175.258 176.300 0.021 0.000 1.005 343 R CA -0.235 55.869 56.100 0.006 0.000 1.146 343 R CB -0.030 30.276 30.300 0.010 0.000 1.390 343 R HN 0.357 nan 8.270 nan 0.000 0.553 344 I N 0.536 121.121 120.570 0.025 0.000 2.608 344 I HA 0.275 4.445 4.170 0.000 0.000 0.295 344 I C -0.479 175.677 176.117 0.064 0.000 1.049 344 I CA -1.204 60.137 61.300 0.068 0.000 1.063 344 I CB 2.469 40.542 38.000 0.123 0.000 1.248 344 I HN -0.065 nan 8.210 nan 0.000 0.424 345 E N 5.278 125.549 120.200 0.119 0.000 2.199 345 E HA 0.404 4.754 4.350 0.000 0.000 0.265 345 E C -1.463 175.317 176.600 0.299 0.000 0.882 345 E CA -0.611 55.863 56.400 0.124 0.000 0.759 345 E CB 0.945 30.688 29.700 0.072 0.000 1.148 345 E HN 0.219 nan 8.360 nan 0.000 0.412 346 F N 2.464 122.411 119.950 -0.005 0.000 2.495 346 F HA 0.264 4.791 4.527 0.000 0.000 0.365 346 F C 0.543 176.342 175.800 -0.002 0.000 1.090 346 F CA -0.159 57.839 58.000 -0.005 0.000 1.235 346 F CB 1.394 40.389 39.000 -0.008 0.000 1.119 346 F HN 0.287 nan 8.300 nan 0.000 0.562 347 T N 3.330 117.950 114.554 0.109 0.000 2.900 347 T HA 0.161 4.511 4.350 0.000 0.000 0.295 347 T C 0.627 175.333 174.700 0.009 0.000 1.044 347 T CA -0.601 61.533 62.100 0.056 0.000 0.995 347 T CB 1.897 70.789 68.868 0.040 0.000 1.072 347 T HN 0.360 nan 8.240 nan 0.000 0.473 348 D N 1.534 121.943 120.400 0.016 0.000 2.265 348 D HA -0.081 4.559 4.640 0.000 0.000 0.208 348 D C 1.987 178.282 176.300 -0.009 0.000 0.977 348 D CA 1.437 55.438 54.000 0.002 0.000 0.871 348 D CB 0.103 40.910 40.800 0.011 0.000 0.925 348 D HN 0.714 nan 8.370 nan 0.000 0.485 349 T N -3.337 111.214 114.554 -0.005 0.000 3.069 349 T HA 0.507 4.857 4.350 0.000 0.000 0.252 349 T C 0.933 175.623 174.700 -0.016 0.000 1.053 349 T CA 0.204 62.301 62.100 -0.004 0.000 0.964 349 T CB 1.143 70.015 68.868 0.006 0.000 1.005 349 T HN 0.216 nan 8.240 nan 0.000 0.532 350 G N 1.239 110.016 108.800 -0.038 0.000 2.270 350 G HA2 0.180 4.140 3.960 0.000 0.000 0.268 350 G HA3 0.180 4.140 3.960 0.000 0.000 0.268 350 G C -1.818 173.049 174.900 -0.055 0.000 1.312 350 G CA -0.994 44.070 45.100 -0.061 0.000 1.050 350 G HN 0.409 nan 8.290 nan 0.000 0.474 351 L N 0.856 122.055 121.223 -0.039 0.000 2.275 351 L HA 0.563 4.903 4.340 0.000 0.000 0.288 351 L C 0.549 177.443 176.870 0.041 0.000 1.046 351 L CA -0.578 54.270 54.840 0.013 0.000 0.805 351 L CB 1.494 43.560 42.059 0.012 0.000 1.193 351 L HN 0.399 nan 8.230 nan 0.000 0.426 352 K N 2.986 123.427 120.400 0.068 0.000 2.123 352 K HA 0.502 4.822 4.320 0.000 0.000 0.259 352 K C -0.591 176.043 176.600 0.056 0.000 0.960 352 K CA -0.844 55.475 56.287 0.054 0.000 0.872 352 K CB 1.618 34.149 32.500 0.051 0.000 1.079 352 K HN 0.479 nan 8.250 nan 0.000 0.440 353 R N 2.700 123.224 120.500 0.040 0.000 2.207 353 R HA 0.180 4.520 4.340 0.000 0.000 0.334 353 R C -0.003 176.313 176.300 0.027 0.000 1.013 353 R CA -0.406 55.715 56.100 0.035 0.000 0.858 353 R CB 1.083 31.400 30.300 0.028 0.000 1.094 353 R HN 0.362 nan 8.270 nan 0.000 0.457 354 K N 0.000 120.414 120.400 0.024 0.000 2.780 354 K HA 0.000 4.320 4.320 0.000 0.000 0.191 354 K CA 0.000 56.296 56.287 0.015 0.000 0.838 354 K CB 0.000 32.505 32.500 0.008 0.000 1.064 354 K HN 0.000 nan 8.250 nan 0.000 0.543