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 1e2r_1_B DATA FIRST_RESID 25 DATA SEQUENCE YEPSLDNLAQ QDVAAPGAPE GVTALSDAQY NEANKIYFER CAGCHGVLRK DATA SEQUENCE GATGKALTPD LTRDLGFDYL QSFITYASPA GMPNWGTSGE LSAEQVDLMA DATA SEQUENCE NYLLLDPAAP PEFGMKEMRE SWKVHVAPED RPTQQENDWD LENLFSVTLR DATA SEQUENCE DAGQIALIDG STYEIKTVLD TGYAVHISRL SASGRYLFVI GRDGKVNMID DATA SEQUENCE LWMKEPTTVA EIKIGSEARS IETSKMEGWE DKYAIAGAYW PPQYVIMDGE DATA SEQUENCE TLEPKKIQST RGMTYDEQEY HPEPRVAAIL ASHYRPEFIV NVKETGKILL DATA SEQUENCE VDYTDLNNLK TTEISAERFL HDGGLDGSHR YFITAANARN KLVVIDTKEG DATA SEQUENCE KLVAIEDTGG QTPHPGRGAN FVHPTFGPVW ATSHMGDDSV ALIGTDPEGH DATA SEQUENCE PDNAWKILDS FPALGGGSLF IKTHPNSQYL YVDATLNPEA EISGSVAVFD DATA SEQUENCE IKAMTGDGSD PEFKTLPIAE WAGITEGQPR VVQGEFNKDG TEVWFSVWNG DATA SEQUENCE KDQESALVVV DDKTLELKHV IKDERLVTPT GKFNVYNTMT DTY 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 25 Y HA 0.000 nan 4.550 nan 0.000 0.201 25 Y C 0.000 175.912 175.900 0.021 0.000 1.272 25 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 25 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 26 E N 2.780 122.978 120.200 -0.005 0.000 2.263 26 E HA 0.522 4.872 4.350 -0.001 0.000 0.264 26 E C -2.519 174.066 176.600 -0.024 0.000 0.923 26 E CA -1.909 54.475 56.400 -0.027 0.000 0.802 26 E CB 1.496 31.197 29.700 0.002 0.000 1.228 26 E HN 0.268 nan 8.360 nan 0.000 0.417 27 P HA 0.055 nan 4.420 nan 0.000 0.271 27 P C -0.568 176.788 177.300 0.094 0.000 1.216 27 P CA -0.206 62.953 63.100 0.098 0.000 0.771 27 P CB 0.445 32.296 31.700 0.253 0.000 0.864 28 S N 2.874 118.635 115.700 0.102 0.000 2.422 28 S HA 0.370 4.839 4.470 -0.001 0.000 0.308 28 S C 0.320 174.997 174.600 0.129 0.000 1.097 28 S CA -0.903 57.357 58.200 0.100 0.000 1.099 28 S CB 0.397 63.658 63.200 0.103 0.000 0.976 28 S HN 0.355 nan 8.310 nan 0.000 0.471 29 L N 3.478 124.783 121.223 0.138 0.000 2.719 29 L HA 0.267 4.606 4.340 -0.001 0.000 0.236 29 L C 0.613 177.571 176.870 0.147 0.000 1.285 29 L CA -0.497 54.440 54.840 0.161 0.000 1.222 29 L CB -0.434 41.747 42.059 0.204 0.000 1.493 29 L HN 0.681 nan 8.230 nan 0.000 0.415 30 D N 0.692 121.185 120.400 0.154 0.000 2.104 30 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 30 D C 1.690 178.087 176.300 0.161 0.000 0.994 30 D CA 1.475 55.575 54.000 0.167 0.000 0.830 30 D CB 0.212 41.131 40.800 0.197 0.000 0.959 30 D HN 0.433 nan 8.370 nan 0.000 0.452 31 N N 0.733 119.522 118.700 0.148 0.000 2.104 31 N HA -0.107 4.632 4.740 -0.001 0.000 0.190 31 N C 2.007 177.486 175.510 -0.051 0.000 1.024 31 N CA 0.620 53.681 53.050 0.017 0.000 0.853 31 N CB -0.349 38.009 38.487 -0.215 0.000 1.008 31 N HN 0.137 nan 8.380 nan 0.000 0.424 32 L N -0.408 120.746 121.223 -0.114 0.000 2.131 32 L HA -0.034 4.306 4.340 -0.001 0.000 0.210 32 L C 1.605 178.299 176.870 -0.293 0.000 1.092 32 L CA 1.043 55.679 54.840 -0.341 0.000 0.759 32 L CB -0.380 41.276 42.059 -0.672 0.000 0.903 32 L HN 0.186 nan 8.230 nan 0.000 0.435 33 A N -1.173 121.632 122.820 -0.024 0.000 2.310 33 A HA 0.004 4.323 4.320 -0.001 0.000 0.230 33 A C 1.648 179.284 177.584 0.088 0.000 1.294 33 A CA 0.274 52.395 52.037 0.140 0.000 0.898 33 A CB -0.207 18.916 19.000 0.205 0.000 0.917 33 A HN 0.491 nan 8.150 nan 0.000 0.491 34 Q N -0.761 119.068 119.800 0.048 0.000 2.245 34 Q HA 0.078 4.418 4.340 -0.001 0.000 0.236 34 Q C -0.325 175.703 176.000 0.047 0.000 0.842 34 Q CA -0.051 55.789 55.803 0.062 0.000 0.945 34 Q CB 0.466 29.252 28.738 0.079 0.000 1.122 34 Q HN 0.519 nan 8.270 nan 0.000 0.506 35 Q N 1.594 121.406 119.800 0.020 0.000 2.337 35 Q HA 0.176 4.515 4.340 -0.001 0.000 0.255 35 Q C -1.006 175.033 176.000 0.066 0.000 0.997 35 Q CA 0.242 56.060 55.803 0.026 0.000 0.925 35 Q CB 0.841 29.566 28.738 -0.021 0.000 1.212 35 Q HN 0.114 nan 8.270 nan 0.000 0.436 36 D N 0.945 121.392 120.400 0.078 0.000 2.372 36 D HA 0.287 4.926 4.640 -0.001 0.000 0.243 36 D C -0.072 176.300 176.300 0.120 0.000 1.121 36 D CA 0.023 54.084 54.000 0.102 0.000 0.898 36 D CB 0.945 41.796 40.800 0.086 0.000 1.202 36 D HN 0.324 nan 8.370 nan 0.000 0.428 37 V N -1.383 118.631 119.914 0.166 0.000 3.141 37 V HA 0.864 4.984 4.120 -0.001 0.000 0.312 37 V C -0.692 175.497 176.094 0.157 0.000 1.157 37 V CA -1.350 61.059 62.300 0.182 0.000 1.041 37 V CB 1.647 33.639 31.823 0.283 0.000 1.071 37 V HN 0.540 nan 8.190 nan 0.000 0.441 38 A N 1.513 124.386 122.820 0.088 0.000 2.309 38 A HA 0.822 5.142 4.320 -0.001 0.000 0.290 38 A C 0.589 178.107 177.584 -0.109 0.000 1.206 38 A CA 0.094 52.138 52.037 0.012 0.000 0.850 38 A CB 0.052 19.048 19.000 -0.007 0.000 1.118 38 A HN 2.187 nan 8.150 nan 0.000 0.523 39 A N 5.403 128.124 122.820 -0.165 0.000 2.492 39 A HA 0.545 4.865 4.320 -0.001 0.000 0.254 39 A C -1.618 175.714 177.584 -0.420 0.000 1.091 39 A CA -0.945 50.797 52.037 -0.492 0.000 0.768 39 A CB -0.457 18.410 19.000 -0.221 0.000 1.028 39 A HN 0.729 nan 8.150 nan 0.000 0.498 40 P HA 0.329 nan 4.420 nan 0.000 0.276 40 P C 0.419 177.586 177.300 -0.222 0.000 1.244 40 P CA -0.027 62.882 63.100 -0.318 0.000 0.801 40 P CB 0.966 32.472 31.700 -0.322 0.000 1.006 41 G N 0.252 108.968 108.800 -0.139 0.000 2.599 41 G HA2 0.480 4.439 3.960 -0.001 0.000 0.264 41 G HA3 0.480 4.439 3.960 -0.001 0.000 0.264 41 G C -0.661 174.188 174.900 -0.085 0.000 1.200 41 G CA -0.468 44.575 45.100 -0.095 0.000 0.896 41 G HN 0.678 nan 8.290 nan 0.000 0.536 42 A N 1.509 124.293 122.820 -0.060 0.000 2.292 42 A HA 0.752 5.072 4.320 -0.001 0.000 0.319 42 A C -1.321 176.239 177.584 -0.040 0.000 1.206 42 A CA -1.135 50.873 52.037 -0.047 0.000 0.835 42 A CB 0.804 19.784 19.000 -0.033 0.000 1.164 42 A HN 0.634 nan 8.150 nan 0.000 0.505 43 P HA 0.201 nan 4.420 nan 0.000 0.312 43 P C -0.238 177.047 177.300 -0.025 0.000 1.308 43 P CA -0.653 62.428 63.100 -0.032 0.000 0.743 43 P CB 0.395 32.075 31.700 -0.034 0.000 1.364 44 E N -0.808 119.379 120.200 -0.021 0.000 2.465 44 E HA 0.215 4.564 4.350 -0.001 0.000 0.260 44 E C 0.746 177.338 176.600 -0.014 0.000 0.980 44 E CA 0.706 57.096 56.400 -0.017 0.000 0.927 44 E CB -0.655 29.036 29.700 -0.015 0.000 0.934 44 E HN 0.757 nan 8.360 nan 0.000 0.459 45 G N 2.633 111.425 108.800 -0.012 0.000 2.153 45 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.252 45 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.252 45 G C -0.216 174.680 174.900 -0.005 0.000 0.994 45 G CA 0.248 45.343 45.100 -0.007 0.000 0.698 45 G HN 0.480 nan 8.290 nan 0.000 0.521 46 V N -0.079 119.828 119.914 -0.013 0.000 2.841 46 V HA 0.691 4.810 4.120 -0.001 0.000 0.310 46 V C 0.331 176.410 176.094 -0.024 0.000 1.090 46 V CA -0.444 61.849 62.300 -0.011 0.000 0.930 46 V CB 2.112 33.931 31.823 -0.007 0.000 1.014 46 V HN 0.266 nan 8.190 nan 0.000 0.425 47 T N 3.337 117.872 114.554 -0.032 0.000 2.882 47 T HA 0.676 5.026 4.350 -0.001 0.000 0.287 47 T C 0.256 174.948 174.700 -0.014 0.000 0.992 47 T CA -0.037 62.039 62.100 -0.041 0.000 1.076 47 T CB 1.562 70.381 68.868 -0.082 0.000 0.961 47 T HN 1.005 nan 8.240 nan 0.000 0.490 48 A N 3.113 125.926 122.820 -0.013 0.000 2.286 48 A HA 0.786 5.105 4.320 -0.001 0.000 0.286 48 A C -0.425 177.176 177.584 0.028 0.000 1.097 48 A CA -0.657 51.380 52.037 0.000 0.000 0.821 48 A CB 0.328 19.317 19.000 -0.018 0.000 1.076 48 A HN 0.818 nan 8.150 nan 0.000 0.490 49 L N 1.071 122.331 121.223 0.061 0.000 2.342 49 L HA 0.442 4.782 4.340 -0.001 0.000 0.271 49 L C 0.833 177.755 176.870 0.087 0.000 1.008 49 L CA -0.713 54.189 54.840 0.103 0.000 0.818 49 L CB 2.148 44.333 42.059 0.210 0.000 1.296 49 L HN 0.929 nan 8.230 nan 0.000 0.427 50 S N -0.658 115.090 115.700 0.080 0.000 2.608 50 S HA 0.067 4.536 4.470 -0.001 0.000 0.261 50 S C 0.451 175.114 174.600 0.105 0.000 1.314 50 S CA -0.586 57.654 58.200 0.066 0.000 0.992 50 S CB 0.890 64.122 63.200 0.053 0.000 0.935 50 S HN 0.606 nan 8.310 nan 0.000 0.564 51 D N 1.244 121.694 120.400 0.082 0.000 2.182 51 D HA -0.034 4.605 4.640 -0.001 0.000 0.201 51 D C 2.135 178.519 176.300 0.140 0.000 0.986 51 D CA 1.736 55.804 54.000 0.113 0.000 0.847 51 D CB -0.853 39.990 40.800 0.071 0.000 0.942 51 D HN 0.671 nan 8.370 nan 0.000 0.467 52 A N 0.714 123.593 122.820 0.098 0.000 1.855 52 A HA -0.223 4.096 4.320 -0.001 0.000 0.215 52 A C 2.141 179.777 177.584 0.086 0.000 1.191 52 A CA 1.432 53.518 52.037 0.081 0.000 0.613 52 A CB -0.643 18.391 19.000 0.056 0.000 0.829 52 A HN 0.190 nan 8.150 nan 0.000 0.442 53 Q N -2.020 117.837 119.800 0.095 0.000 2.050 53 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 53 Q C 2.053 178.119 176.000 0.109 0.000 0.980 53 Q CA 1.857 57.712 55.803 0.087 0.000 0.840 53 Q CB -0.379 28.415 28.738 0.093 0.000 0.898 53 Q HN 0.799 nan 8.270 nan 0.000 0.424 54 Y N 1.812 122.155 120.300 0.072 0.000 2.145 54 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 54 Y C 1.938 177.910 175.900 0.120 0.000 1.145 54 Y CA 1.484 59.659 58.100 0.124 0.000 1.148 54 Y CB -0.136 38.390 38.460 0.110 0.000 0.981 54 Y HN 0.123 nan 8.280 nan 0.000 0.507 55 N N 0.346 119.137 118.700 0.151 0.000 2.223 55 N HA -0.204 4.536 4.740 -0.001 0.000 0.185 55 N C 1.859 177.353 175.510 -0.027 0.000 1.016 55 N CA 1.446 54.542 53.050 0.077 0.000 0.863 55 N CB -0.257 38.305 38.487 0.126 0.000 0.983 55 N HN 0.606 nan 8.380 nan 0.000 0.429 56 E N 0.793 120.973 120.200 -0.033 0.000 2.072 56 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 56 E C 1.812 178.312 176.600 -0.166 0.000 0.985 56 E CA 0.917 57.278 56.400 -0.065 0.000 0.801 56 E CB 0.043 29.723 29.700 -0.034 0.000 0.750 56 E HN 0.287 nan 8.360 nan 0.000 0.452 57 A N 0.901 123.570 122.820 -0.251 0.000 1.930 57 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 57 A C 1.919 179.018 177.584 -0.808 0.000 1.175 57 A CA 1.603 53.352 52.037 -0.480 0.000 0.627 57 A CB -0.694 18.049 19.000 -0.429 0.000 0.815 57 A HN 0.314 nan 8.150 nan 0.000 0.443 58 N N -0.001 118.313 118.700 -0.643 0.000 2.120 58 N HA -0.187 4.553 4.740 -0.001 0.000 0.188 58 N C 1.735 177.161 175.510 -0.140 0.000 1.024 58 N CA 1.909 54.703 53.050 -0.427 0.000 0.852 58 N CB -0.257 38.194 38.487 -0.060 0.000 1.003 58 N HN 0.544 nan 8.380 nan 0.000 0.424 59 K N 0.314 120.664 120.400 -0.083 0.000 2.032 59 K HA -0.109 4.211 4.320 -0.001 0.000 0.209 59 K C 1.922 178.477 176.600 -0.076 0.000 1.048 59 K CA 1.423 57.710 56.287 0.000 0.000 0.927 59 K CB -0.224 32.269 32.500 -0.011 0.000 0.712 59 K HN 0.235 nan 8.250 nan 0.000 0.441 60 I N 0.249 120.700 120.570 -0.198 0.000 2.226 60 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 60 I C 2.331 178.239 176.117 -0.348 0.000 1.100 60 I CA 1.249 62.390 61.300 -0.265 0.000 1.374 60 I CB -0.413 37.395 38.000 -0.319 0.000 1.057 60 I HN 0.253 nan 8.210 nan 0.000 0.413 61 Y N 1.326 121.295 120.300 -0.551 0.000 2.097 61 Y HA -0.313 4.237 4.550 -0.001 0.000 0.282 61 Y C 2.229 177.854 175.900 -0.458 0.000 1.152 61 Y CA 1.809 59.540 58.100 -0.615 0.000 1.136 61 Y CB -0.489 37.432 38.460 -0.899 0.000 0.975 61 Y HN -0.009 nan 8.280 nan 0.000 0.498 62 F N 0.329 120.173 119.950 -0.177 0.000 2.259 62 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 62 F C 2.293 178.006 175.800 -0.146 0.000 1.088 62 F CA 1.547 59.457 58.000 -0.150 0.000 1.358 62 F CB -0.542 38.450 39.000 -0.015 0.000 1.040 62 F HN 0.118 nan 8.300 nan 0.000 0.505 63 E N -0.306 119.903 120.200 0.015 0.000 2.158 63 E HA -0.072 4.278 4.350 -0.001 0.000 0.191 63 E C 1.869 178.441 176.600 -0.046 0.000 0.982 63 E CA 0.814 57.220 56.400 0.009 0.000 0.823 63 E CB 0.032 29.735 29.700 0.005 0.000 0.766 63 E HN 0.413 nan 8.360 nan 0.000 0.468 64 R N -1.301 119.089 120.500 -0.182 0.000 2.435 64 R HA 0.191 4.531 4.340 -0.001 0.000 0.221 64 R C 1.707 177.869 176.300 -0.230 0.000 0.885 64 R CA 0.240 56.227 56.100 -0.189 0.000 1.018 64 R CB 0.569 30.606 30.300 -0.438 0.000 1.259 64 R HN 0.131 nan 8.270 nan 0.000 0.597 65 C N -0.388 118.640 119.300 -0.453 0.000 2.800 65 C HA 0.391 4.850 4.460 -0.001 0.000 0.379 65 C C 2.562 177.262 174.990 -0.483 0.000 1.304 65 C CA 0.092 58.843 59.018 -0.445 0.000 1.960 65 C CB 0.139 27.498 27.740 -0.634 0.000 2.599 65 C HN 0.474 nan 8.230 nan 0.000 0.578 66 A N 1.801 124.154 122.820 -0.779 0.000 2.024 66 A HA 0.084 4.404 4.320 -0.001 0.000 0.220 66 A C 2.281 179.821 177.584 -0.074 0.000 1.164 66 A CA 2.112 53.907 52.037 -0.403 0.000 0.643 66 A CB -1.173 17.727 19.000 -0.167 0.000 0.806 66 A HN 0.575 nan 8.150 nan 0.000 0.451 67 G N -1.028 107.737 108.800 -0.059 0.000 2.446 67 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 67 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 67 G C 1.537 176.414 174.900 -0.038 0.000 1.168 67 G CA 1.434 46.527 45.100 -0.011 0.000 0.771 67 G HN 0.538 nan 8.290 nan 0.000 0.551 68 C N -0.778 118.478 119.300 -0.073 0.000 2.504 68 C HA 0.235 4.695 4.460 -0.001 0.000 0.279 68 C C 2.187 177.035 174.990 -0.238 0.000 1.358 68 C CA 0.198 59.112 59.018 -0.173 0.000 1.747 68 C CB -0.683 26.903 27.740 -0.256 0.000 2.037 68 C HN 0.496 nan 8.230 nan 0.000 0.503 69 H N 0.290 119.371 119.070 0.019 0.000 2.575 69 H HA 0.287 4.843 4.556 -0.001 0.000 0.267 69 H C 1.300 176.701 175.328 0.122 0.000 0.966 69 H CA 1.130 57.224 56.048 0.078 0.000 1.165 69 H CB 0.094 29.930 29.762 0.124 0.000 1.433 69 H HN 0.541 nan 8.280 nan 0.000 0.544 70 G N 0.334 109.244 108.800 0.184 0.000 2.721 70 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.686 70 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.686 70 G C 0.795 175.844 174.900 0.247 0.000 1.236 70 G CA -0.173 45.042 45.100 0.192 0.000 0.786 70 G HN 0.089 nan 8.290 nan 0.000 0.616 71 V N 1.710 121.750 119.914 0.211 0.000 2.392 71 V HA -0.137 3.983 4.120 -0.001 0.000 0.249 71 V C 2.666 178.843 176.094 0.138 0.000 1.059 71 V CA 2.488 64.926 62.300 0.229 0.000 1.051 71 V CB -0.500 31.235 31.823 -0.147 0.000 0.658 71 V HN 0.560 nan 8.190 nan 0.000 0.455 72 L N -0.601 120.654 121.223 0.053 0.000 2.611 72 L HA 0.251 4.591 4.340 -0.001 0.000 0.229 72 L C 1.109 177.995 176.870 0.027 0.000 1.137 72 L CA 0.064 54.918 54.840 0.022 0.000 0.901 72 L CB -0.192 41.905 42.059 0.063 0.000 1.098 72 L HN 0.287 nan 8.230 nan 0.000 0.456 73 R N -0.969 119.586 120.500 0.092 0.000 3.875 73 R HA -0.166 4.174 4.340 -0.001 0.000 0.321 73 R C 0.692 177.032 176.300 0.067 0.000 1.196 73 R CA 0.367 56.518 56.100 0.085 0.000 0.868 73 R CB -1.488 28.759 30.300 -0.087 0.000 1.333 73 R HN 0.265 nan 8.270 nan 0.000 0.522 74 K N 0.872 121.313 120.400 0.069 0.000 2.418 74 K HA 0.087 4.407 4.320 -0.001 0.000 0.195 74 K C 1.121 177.746 176.600 0.042 0.000 1.035 74 K CA 1.192 57.492 56.287 0.023 0.000 1.003 74 K CB 0.313 32.792 32.500 -0.035 0.000 0.793 74 K HN 0.568 nan 8.250 nan 0.000 0.494 75 G N 0.027 108.895 108.800 0.112 0.000 2.719 75 G HA2 0.097 4.057 3.960 -0.001 0.000 0.686 75 G HA3 0.097 4.057 3.960 -0.001 0.000 0.686 75 G C -0.189 174.794 174.900 0.139 0.000 1.201 75 G CA -0.297 44.881 45.100 0.130 0.000 0.768 75 G HN 0.397 nan 8.290 nan 0.000 0.629 76 A N 0.516 123.400 122.820 0.107 0.000 2.098 76 A HA 0.817 5.136 4.320 -0.001 0.000 0.179 76 A C 1.927 179.533 177.584 0.036 0.000 1.358 76 A CA 1.389 53.508 52.037 0.138 0.000 1.998 76 A CB -0.600 18.464 19.000 0.107 0.000 2.323 76 A HN 1.569 nan 8.150 nan 0.000 0.955 77 T N 1.113 115.625 114.554 -0.070 0.000 2.788 77 T HA 0.189 4.539 4.350 -0.001 0.000 0.268 77 T C 1.039 175.649 174.700 -0.149 0.000 1.044 77 T CA 1.399 63.407 62.100 -0.154 0.000 1.139 77 T CB -0.477 68.293 68.868 -0.164 0.000 0.867 77 T HN 0.863 nan 8.240 nan 0.000 0.454 78 G N 0.711 109.363 108.800 -0.247 0.000 2.437 78 G HA2 0.536 4.495 3.960 -0.001 0.000 0.319 78 G HA3 0.536 4.495 3.960 -0.001 0.000 0.319 78 G C -0.592 174.285 174.900 -0.038 0.000 1.158 78 G CA -0.773 44.129 45.100 -0.330 0.000 0.899 78 G HN 0.225 nan 8.290 nan 0.000 0.502 79 K N -0.055 120.418 120.400 0.122 0.000 2.286 79 K HA 0.380 4.700 4.320 -0.001 0.000 0.256 79 K C 0.753 177.483 176.600 0.217 0.000 0.999 79 K CA -0.050 56.321 56.287 0.141 0.000 0.908 79 K CB 0.661 33.207 32.500 0.076 0.000 0.981 79 K HN 0.561 nan 8.250 nan 0.000 0.500 80 A N 1.885 124.771 122.820 0.110 0.000 2.483 80 A HA 0.148 4.467 4.320 -0.001 0.000 0.238 80 A C 0.280 177.884 177.584 0.034 0.000 1.070 80 A CA 0.047 52.131 52.037 0.080 0.000 0.770 80 A CB -0.125 18.893 19.000 0.029 0.000 1.008 80 A HN 0.692 nan 8.150 nan 0.000 0.497 81 L N 2.366 123.590 121.223 0.003 0.000 3.288 81 L HA 0.155 4.494 4.340 -0.001 0.000 0.293 81 L C 0.503 177.317 176.870 -0.094 0.000 1.294 81 L CA -0.256 54.540 54.840 -0.074 0.000 1.006 81 L CB 0.005 41.979 42.059 -0.141 0.000 1.407 81 L HN 0.867 nan 8.230 nan 0.000 0.592 82 T N -3.871 110.642 114.554 -0.067 0.000 2.899 82 T HA 0.206 4.555 4.350 -0.001 0.000 0.295 82 T C -1.761 172.892 174.700 -0.078 0.000 1.033 82 T CA -1.466 60.587 62.100 -0.078 0.000 1.084 82 T CB 1.209 70.048 68.868 -0.049 0.000 0.979 82 T HN -0.129 nan 8.240 nan 0.000 0.532 83 P HA -0.196 nan 4.420 nan 0.000 0.217 83 P C 1.466 178.734 177.300 -0.054 0.000 1.151 83 P CA 1.348 64.405 63.100 -0.071 0.000 0.849 83 P CB -0.042 31.613 31.700 -0.074 0.000 0.787 84 D N -0.866 119.506 120.400 -0.047 0.000 2.263 84 D HA -0.148 4.492 4.640 -0.001 0.000 0.208 84 D C 1.673 177.946 176.300 -0.045 0.000 0.971 84 D CA 1.186 55.162 54.000 -0.040 0.000 0.867 84 D CB -0.765 40.016 40.800 -0.031 0.000 0.929 84 D HN 0.254 nan 8.370 nan 0.000 0.492 85 L N 0.305 121.497 121.223 -0.053 0.000 2.347 85 L HA 0.003 4.342 4.340 -0.001 0.000 0.196 85 L C 2.851 179.672 176.870 -0.081 0.000 1.072 85 L CA 1.071 55.872 54.840 -0.065 0.000 0.817 85 L CB -0.728 41.295 42.059 -0.061 0.000 1.029 85 L HN 0.066 nan 8.230 nan 0.000 0.478 86 T N -1.811 112.701 114.554 -0.071 0.000 2.788 86 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 86 T C 1.960 176.637 174.700 -0.038 0.000 1.044 86 T CA 1.060 63.124 62.100 -0.059 0.000 1.139 86 T CB -0.353 68.485 68.868 -0.051 0.000 0.867 86 T HN 0.200 nan 8.240 nan 0.000 0.454 87 R N 1.132 121.612 120.500 -0.033 0.000 2.120 87 R HA -0.030 4.310 4.340 -0.001 0.000 0.234 87 R C 2.149 178.436 176.300 -0.022 0.000 1.123 87 R CA 1.468 57.559 56.100 -0.014 0.000 0.975 87 R CB -0.283 30.007 30.300 -0.018 0.000 0.866 87 R HN 0.455 nan 8.270 nan 0.000 0.446 88 D N 0.573 120.943 120.400 -0.049 0.000 2.183 88 D HA -0.073 4.566 4.640 -0.001 0.000 0.203 88 D C 1.929 178.171 176.300 -0.096 0.000 0.969 88 D CA 0.902 54.864 54.000 -0.063 0.000 0.842 88 D CB 0.034 40.790 40.800 -0.074 0.000 0.957 88 D HN 0.188 nan 8.370 nan 0.000 0.484 89 L N 0.049 121.184 121.223 -0.147 0.000 2.109 89 L HA 0.093 4.432 4.340 -0.001 0.000 0.207 89 L C 1.255 178.093 176.870 -0.053 0.000 1.086 89 L CA 0.727 55.408 54.840 -0.265 0.000 0.760 89 L CB -0.629 41.182 42.059 -0.414 0.000 0.910 89 L HN 0.100 nan 8.230 nan 0.000 0.437 90 G N -1.341 107.476 108.800 0.028 0.000 2.712 90 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.686 90 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.686 90 G C -0.051 174.963 174.900 0.190 0.000 1.321 90 G CA -0.100 45.071 45.100 0.118 0.000 0.813 90 G HN 0.080 nan 8.290 nan 0.000 0.599 91 F N 1.031 121.029 119.950 0.080 0.000 2.065 91 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 91 F C 2.342 178.213 175.800 0.118 0.000 1.112 91 F CA 2.835 60.886 58.000 0.086 0.000 1.212 91 F CB -0.078 38.957 39.000 0.059 0.000 0.975 91 F HN 0.532 nan 8.300 nan 0.000 0.476 92 D N -0.762 119.756 120.400 0.198 0.000 2.116 92 D HA -0.276 4.363 4.640 -0.001 0.000 0.193 92 D C 2.010 178.345 176.300 0.060 0.000 0.998 92 D CA 1.897 55.959 54.000 0.104 0.000 0.836 92 D CB -0.980 39.930 40.800 0.184 0.000 0.951 92 D HN 0.481 nan 8.370 nan 0.000 0.449 93 Y N 1.268 121.582 120.300 0.023 0.000 2.097 93 Y HA -0.189 4.360 4.550 -0.001 0.000 0.282 93 Y C 2.246 178.187 175.900 0.068 0.000 1.152 93 Y CA 1.443 59.584 58.100 0.069 0.000 1.136 93 Y CB -0.367 38.138 38.460 0.075 0.000 0.975 93 Y HN -0.073 nan 8.280 nan 0.000 0.498 94 L N 0.045 121.372 121.223 0.174 0.000 2.017 94 L HA -0.278 4.061 4.340 -0.001 0.000 0.208 94 L C 2.693 179.506 176.870 -0.096 0.000 1.073 94 L CA 1.960 56.826 54.840 0.043 0.000 0.745 94 L CB -0.912 41.132 42.059 -0.025 0.000 0.894 94 L HN 0.315 nan 8.230 nan 0.000 0.432 95 Q N -0.206 119.408 119.800 -0.310 0.000 2.061 95 Q HA -0.270 4.069 4.340 -0.001 0.000 0.204 95 Q C 2.417 178.342 176.000 -0.124 0.000 0.984 95 Q CA 2.341 57.944 55.803 -0.333 0.000 0.846 95 Q CB -0.101 28.301 28.738 -0.559 0.000 0.902 95 Q HN 0.401 nan 8.270 nan 0.000 0.421 96 S N -0.721 114.945 115.700 -0.056 0.000 2.356 96 S HA -0.151 4.318 4.470 -0.001 0.000 0.223 96 S C 1.650 176.278 174.600 0.046 0.000 1.032 96 S CA 1.093 59.327 58.200 0.056 0.000 1.005 96 S CB -0.454 62.764 63.200 0.029 0.000 0.867 96 S HN 0.509 nan 8.310 nan 0.000 0.449 97 F N 1.699 121.565 119.950 -0.139 0.000 2.134 97 F HA 0.061 4.587 4.527 -0.001 0.000 0.299 97 F C 1.964 177.762 175.800 -0.003 0.000 1.097 97 F CA 1.343 59.281 58.000 -0.105 0.000 1.264 97 F CB -0.266 38.624 39.000 -0.183 0.000 1.001 97 F HN 0.233 nan 8.300 nan 0.000 0.479 98 I N -1.303 119.389 120.570 0.203 0.000 2.394 98 I HA -0.264 3.905 4.170 -0.001 0.000 0.251 98 I C 2.109 178.296 176.117 0.118 0.000 1.136 98 I CA 1.378 62.794 61.300 0.194 0.000 1.425 98 I CB -0.697 37.340 38.000 0.061 0.000 1.079 98 I HN 0.078 nan 8.210 nan 0.000 0.425 99 T N -0.233 114.279 114.554 -0.070 0.000 2.698 99 T HA -0.126 4.223 4.350 -0.001 0.000 0.260 99 T C 1.583 176.027 174.700 -0.425 0.000 1.044 99 T CA 1.535 63.450 62.100 -0.309 0.000 1.149 99 T CB -0.287 68.223 68.868 -0.596 0.000 0.864 99 T HN 0.230 nan 8.240 nan 0.000 0.419 100 Y N 1.260 121.520 120.300 -0.067 0.000 2.503 100 Y HA 0.551 5.101 4.550 -0.001 0.000 0.278 100 Y C 1.454 177.259 175.900 -0.158 0.000 1.111 100 Y CA -0.169 57.859 58.100 -0.120 0.000 1.270 100 Y CB -0.504 37.858 38.460 -0.163 0.000 1.063 100 Y HN 0.362 nan 8.280 nan 0.000 0.548 101 A N 0.612 123.402 122.820 -0.049 0.000 6.225 101 A HA 0.004 4.324 4.320 -0.001 0.000 0.246 101 A C 0.338 177.754 177.584 -0.281 0.000 2.218 101 A CA 0.532 52.526 52.037 -0.072 0.000 0.703 101 A CB -1.839 17.142 19.000 -0.032 0.000 0.991 101 A HN 0.815 nan 8.150 nan 0.000 0.360 102 S N -1.696 113.931 115.700 -0.120 0.000 2.556 102 S HA 0.765 5.235 4.470 -0.001 0.000 0.271 102 S C -2.350 172.243 174.600 -0.013 0.000 1.135 102 S CA -0.383 57.747 58.200 -0.117 0.000 0.858 102 S CB 1.931 65.118 63.200 -0.022 0.000 1.114 102 S HN 0.637 nan 8.310 nan 0.000 0.468 103 P HA 0.139 nan 4.420 nan 0.000 0.225 103 P C 1.197 178.504 177.300 0.011 0.000 1.148 103 P CA 1.103 64.195 63.100 -0.013 0.000 0.779 103 P CB -0.075 31.613 31.700 -0.019 0.000 0.780 104 A N -0.837 122.010 122.820 0.046 0.000 2.239 104 A HA 0.342 4.662 4.320 -0.001 0.000 0.209 104 A C 1.700 179.307 177.584 0.038 0.000 1.171 104 A CA 1.233 53.300 52.037 0.050 0.000 0.768 104 A CB -0.997 18.054 19.000 0.085 0.000 0.790 104 A HN 0.288 nan 8.150 nan 0.000 0.478 105 G N -2.667 106.156 108.800 0.038 0.000 2.425 105 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.177 105 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.177 105 G C 0.057 174.982 174.900 0.042 0.000 0.999 105 G CA 0.074 45.185 45.100 0.018 0.000 0.723 105 G HN 0.473 nan 8.290 nan 0.000 0.491 106 M N 2.699 122.364 119.600 0.109 0.000 2.105 106 M HA 0.618 5.097 4.480 -0.001 0.000 0.350 106 M C -2.513 173.817 176.300 0.049 0.000 1.308 106 M CA -3.003 52.406 55.300 0.181 0.000 1.108 106 M CB 0.604 33.437 32.600 0.389 0.000 1.622 106 M HN -0.077 nan 8.290 nan 0.000 0.468 107 P HA 0.121 nan 4.420 nan 0.000 0.269 107 P C -0.984 176.044 177.300 -0.453 0.000 1.209 107 P CA -0.015 62.815 63.100 -0.451 0.000 0.776 107 P CB 0.274 31.366 31.700 -1.015 0.000 0.876 108 N N 2.677 121.156 118.700 -0.368 0.000 3.124 108 N HA -0.012 4.728 4.740 -0.001 0.000 0.284 108 N C 0.287 175.667 175.510 -0.217 0.000 1.209 108 N CA -0.315 52.611 53.050 -0.207 0.000 1.149 108 N CB -0.557 37.851 38.487 -0.133 0.000 1.434 108 N HN 0.475 nan 8.380 nan 0.000 0.529 109 W N 1.273 122.544 121.300 -0.049 0.000 2.321 109 W HA -0.081 4.578 4.660 -0.001 0.000 0.306 109 W C 2.250 178.717 176.519 -0.086 0.000 1.217 109 W CA 1.399 58.710 57.345 -0.056 0.000 1.257 109 W CB -0.480 28.953 29.460 -0.045 0.000 1.145 109 W HN 0.473 nan 8.180 nan 0.000 0.509 110 G N -0.090 108.753 108.800 0.072 0.000 2.454 110 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.214 110 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.214 110 G C 1.453 176.296 174.900 -0.095 0.000 1.217 110 G CA 2.156 47.223 45.100 -0.055 0.000 0.799 110 G HN 0.275 nan 8.290 nan 0.000 0.538 111 T N 0.119 114.582 114.554 -0.153 0.000 2.881 111 T HA -0.151 4.199 4.350 -0.001 0.000 0.270 111 T C 2.509 177.174 174.700 -0.060 0.000 1.068 111 T CA 2.033 64.073 62.100 -0.099 0.000 1.131 111 T CB -0.480 68.349 68.868 -0.066 0.000 0.871 111 T HN 0.438 nan 8.240 nan 0.000 0.479 112 S N 0.845 116.503 115.700 -0.069 0.000 2.461 112 S HA 0.344 4.813 4.470 -0.001 0.000 0.228 112 S C 2.120 176.701 174.600 -0.033 0.000 1.005 112 S CA 0.659 58.819 58.200 -0.067 0.000 0.942 112 S CB -0.790 62.339 63.200 -0.118 0.000 0.776 112 S HN 1.291 nan 8.310 nan 0.000 0.514 113 G N 0.817 109.610 108.800 -0.010 0.000 2.175 113 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 113 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 113 G C 0.715 175.642 174.900 0.046 0.000 0.982 113 G CA 0.415 45.521 45.100 0.011 0.000 0.641 113 G HN 0.371 nan 8.290 nan 0.000 0.527 114 E N -0.143 120.105 120.200 0.079 0.000 2.058 114 E HA 0.007 4.357 4.350 -0.001 0.000 0.194 114 E C 1.428 178.142 176.600 0.190 0.000 0.997 114 E CA 0.959 57.460 56.400 0.170 0.000 0.801 114 E CB -0.083 29.798 29.700 0.302 0.000 0.746 114 E HN 0.647 nan 8.360 nan 0.000 0.450 115 L N 0.776 122.114 121.223 0.193 0.000 2.346 115 L HA 0.222 4.562 4.340 -0.001 0.000 0.276 115 L C 0.452 177.352 176.870 0.050 0.000 1.006 115 L CA -0.724 54.175 54.840 0.097 0.000 0.817 115 L CB 1.896 43.998 42.059 0.072 0.000 1.272 115 L HN -0.058 nan 8.230 nan 0.000 0.421 116 S N 1.465 117.178 115.700 0.020 0.000 2.608 116 S HA 0.299 4.769 4.470 -0.001 0.000 0.261 116 S C 1.179 175.782 174.600 0.004 0.000 1.314 116 S CA -0.013 58.193 58.200 0.011 0.000 0.992 116 S CB 1.512 64.717 63.200 0.008 0.000 0.935 116 S HN 0.717 nan 8.310 nan 0.000 0.564 117 A N 0.937 123.759 122.820 0.003 0.000 1.908 117 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 117 A C 2.206 179.801 177.584 0.019 0.000 1.181 117 A CA 1.489 53.529 52.037 0.004 0.000 0.627 117 A CB -0.928 18.078 19.000 0.009 0.000 0.818 117 A HN 0.872 nan 8.150 nan 0.000 0.445 118 E N -0.059 120.154 120.200 0.020 0.000 2.077 118 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 118 E C 2.193 178.804 176.600 0.019 0.000 0.989 118 E CA 1.422 57.839 56.400 0.028 0.000 0.800 118 E CB -0.425 29.288 29.700 0.021 0.000 0.746 118 E HN 0.799 nan 8.360 nan 0.000 0.452 119 Q N 0.288 120.086 119.800 -0.004 0.000 2.124 119 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 119 Q C 2.396 178.369 176.000 -0.045 0.000 0.977 119 Q CA 1.108 56.890 55.803 -0.035 0.000 0.850 119 Q CB -0.033 28.674 28.738 -0.050 0.000 0.901 119 Q HN 0.085 nan 8.270 nan 0.000 0.429 120 V N 1.592 121.490 119.914 -0.028 0.000 2.287 120 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 120 V C 1.525 177.610 176.094 -0.016 0.000 1.053 120 V CA 2.075 64.352 62.300 -0.039 0.000 1.027 120 V CB -0.483 31.319 31.823 -0.036 0.000 0.646 120 V HN 0.338 nan 8.190 nan 0.000 0.447 121 D N -0.124 120.307 120.400 0.053 0.000 2.144 121 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 121 D C 2.147 178.561 176.300 0.190 0.000 0.984 121 D CA 1.062 55.174 54.000 0.186 0.000 0.834 121 D CB -0.265 40.685 40.800 0.251 0.000 0.955 121 D HN 0.332 nan 8.370 nan 0.000 0.465 122 L N -0.015 121.262 121.223 0.090 0.000 2.046 122 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 122 L C 2.348 179.253 176.870 0.058 0.000 1.077 122 L CA 0.772 55.652 54.840 0.067 0.000 0.747 122 L CB -0.301 41.754 42.059 -0.005 0.000 0.896 122 L HN 0.068 nan 8.230 nan 0.000 0.432 123 M N -0.597 118.992 119.600 -0.018 0.000 2.132 123 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 123 M C 2.561 178.892 176.300 0.052 0.000 1.065 123 M CA 1.853 57.127 55.300 -0.043 0.000 1.122 123 M CB -1.520 30.992 32.600 -0.146 0.000 1.365 123 M HN 0.260 nan 8.290 nan 0.000 0.411 124 A N 0.856 123.694 122.820 0.030 0.000 1.877 124 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 124 A C 2.123 179.819 177.584 0.188 0.000 1.186 124 A CA 1.752 53.788 52.037 -0.001 0.000 0.620 124 A CB -0.746 18.052 19.000 -0.336 0.000 0.822 124 A HN 0.501 nan 8.150 nan 0.000 0.443 125 N N -1.505 117.387 118.700 0.320 0.000 2.142 125 N HA -0.167 4.573 4.740 -0.001 0.000 0.186 125 N C 1.646 177.274 175.510 0.197 0.000 1.023 125 N CA 1.672 54.894 53.050 0.287 0.000 0.852 125 N CB -0.551 38.079 38.487 0.238 0.000 0.998 125 N HN 0.675 nan 8.380 nan 0.000 0.424 126 Y N 1.981 122.306 120.300 0.041 0.000 2.165 126 Y HA -0.099 4.451 4.550 -0.001 0.000 0.286 126 Y C 2.182 178.047 175.900 -0.059 0.000 1.155 126 Y CA 1.366 59.452 58.100 -0.023 0.000 1.164 126 Y CB -0.380 37.978 38.460 -0.170 0.000 0.978 126 Y HN -0.024 nan 8.280 nan 0.000 0.513 127 L N -0.281 120.968 121.223 0.043 0.000 2.275 127 L HA -0.192 4.147 4.340 -0.001 0.000 0.215 127 L C 2.030 178.839 176.870 -0.101 0.000 1.119 127 L CA 0.787 55.574 54.840 -0.089 0.000 0.790 127 L CB -0.400 41.638 42.059 -0.035 0.000 0.919 127 L HN 0.341 nan 8.230 nan 0.000 0.443 128 L N -0.824 120.382 121.223 -0.028 0.000 2.375 128 L HA 0.046 4.386 4.340 -0.001 0.000 0.215 128 L C 0.959 177.795 176.870 -0.055 0.000 1.108 128 L CA 0.060 54.892 54.840 -0.014 0.000 0.830 128 L CB 0.040 42.136 42.059 0.060 0.000 0.959 128 L HN 0.156 nan 8.230 nan 0.000 0.457 129 L N -0.437 120.734 121.223 -0.087 0.000 2.456 129 L HA 0.153 4.493 4.340 -0.001 0.000 0.257 129 L C -0.065 176.703 176.870 -0.170 0.000 1.162 129 L CA -0.841 53.936 54.840 -0.105 0.000 0.808 129 L CB 0.372 42.403 42.059 -0.047 0.000 1.136 129 L HN -0.023 nan 8.230 nan 0.000 0.466 130 D N 1.426 121.737 120.400 -0.149 0.000 2.488 130 D HA 0.095 4.734 4.640 -0.001 0.000 0.238 130 D C -2.151 174.043 176.300 -0.176 0.000 1.138 130 D CA -0.620 53.294 54.000 -0.143 0.000 0.873 130 D CB 0.245 40.975 40.800 -0.117 0.000 1.183 130 D HN 0.193 nan 8.370 nan 0.000 0.458 131 P HA 0.130 nan 4.420 nan 0.000 0.268 131 P C -0.681 176.578 177.300 -0.069 0.000 1.205 131 P CA -0.191 62.788 63.100 -0.201 0.000 0.771 131 P CB 0.594 32.197 31.700 -0.162 0.000 0.858 132 A N 2.735 125.564 122.820 0.014 0.000 2.445 132 A HA 0.473 4.793 4.320 -0.001 0.000 0.242 132 A C 0.349 177.995 177.584 0.104 0.000 1.075 132 A CA 0.032 52.160 52.037 0.151 0.000 0.777 132 A CB -0.224 18.980 19.000 0.339 0.000 1.013 132 A HN 0.529 nan 8.150 nan 0.000 0.493 133 A N 3.897 126.771 122.820 0.091 0.000 2.690 133 A HA 0.604 4.923 4.320 -0.001 0.000 0.342 133 A C -2.368 175.270 177.584 0.089 0.000 1.410 133 A CA -1.400 50.685 52.037 0.080 0.000 0.958 133 A CB -0.599 18.450 19.000 0.082 0.000 1.153 133 A HN 0.641 nan 8.150 nan 0.000 0.497 134 P HA 0.196 nan 4.420 nan 0.000 0.265 134 P C -2.248 175.219 177.300 0.278 0.000 1.193 134 P CA -0.498 62.600 63.100 -0.003 0.000 0.765 134 P CB 0.270 31.697 31.700 -0.455 0.000 0.823 135 P HA 0.045 nan 4.420 nan 0.000 0.269 135 P C -0.136 177.399 177.300 0.391 0.000 1.215 135 P CA 0.096 63.370 63.100 0.290 0.000 0.780 135 P CB 0.883 32.708 31.700 0.208 0.000 0.898 136 E N 0.549 120.893 120.200 0.240 0.000 2.376 136 E HA 0.303 4.652 4.350 -0.001 0.000 0.254 136 E C -0.844 175.859 176.600 0.173 0.000 1.213 136 E CA -0.121 56.356 56.400 0.128 0.000 0.945 136 E CB 0.357 30.084 29.700 0.044 0.000 1.057 136 E HN 0.422 nan 8.360 nan 0.000 0.479 137 F N 0.168 120.073 119.950 -0.076 0.000 3.094 137 F HA 0.361 4.887 4.527 -0.001 0.000 0.385 137 F C 0.219 175.969 175.800 -0.083 0.000 1.231 137 F CA -0.332 57.632 58.000 -0.060 0.000 1.207 137 F CB 0.730 39.693 39.000 -0.062 0.000 1.703 137 F HN 0.415 nan 8.300 nan 0.000 0.610 138 G N 2.338 111.012 108.800 -0.210 0.000 2.543 138 G HA2 0.255 4.214 3.960 -0.001 0.000 0.267 138 G HA3 0.255 4.214 3.960 -0.001 0.000 0.267 138 G C 0.781 175.561 174.900 -0.201 0.000 1.406 138 G CA -0.482 44.523 45.100 -0.159 0.000 1.048 138 G HN 0.553 nan 8.290 nan 0.000 0.548 139 M N -0.232 119.284 119.600 -0.141 0.000 2.108 139 M HA -0.033 4.447 4.480 -0.001 0.000 0.261 139 M C 2.355 178.576 176.300 -0.131 0.000 1.066 139 M CA 1.972 57.199 55.300 -0.122 0.000 1.107 139 M CB -0.443 32.099 32.600 -0.096 0.000 1.356 139 M HN 0.627 nan 8.290 nan 0.000 0.406 140 K N -0.490 119.826 120.400 -0.141 0.000 2.032 140 K HA -0.243 4.076 4.320 -0.001 0.000 0.209 140 K C 1.678 178.172 176.600 -0.178 0.000 1.048 140 K CA 2.132 58.345 56.287 -0.124 0.000 0.927 140 K CB -0.136 32.296 32.500 -0.114 0.000 0.712 140 K HN 0.325 nan 8.250 nan 0.000 0.441 141 E N 0.429 120.416 120.200 -0.354 0.000 2.072 141 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 141 E C 2.003 178.363 176.600 -0.400 0.000 0.985 141 E CA 1.568 57.617 56.400 -0.584 0.000 0.801 141 E CB -0.092 28.777 29.700 -1.384 0.000 0.750 141 E HN 0.355 nan 8.360 nan 0.000 0.452 142 M N -0.065 119.372 119.600 -0.272 0.000 2.099 142 M HA -0.116 4.363 4.480 -0.001 0.000 0.262 142 M C 2.162 178.519 176.300 0.095 0.000 1.067 142 M CA 1.484 56.815 55.300 0.050 0.000 1.124 142 M CB -0.208 32.414 32.600 0.037 0.000 1.353 142 M HN -0.006 nan 8.290 nan 0.000 0.410 143 R N -0.155 120.377 120.500 0.054 0.000 2.120 143 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 143 R C 2.032 178.458 176.300 0.210 0.000 1.123 143 R CA 0.823 57.039 56.100 0.193 0.000 0.975 143 R CB -0.305 30.079 30.300 0.140 0.000 0.866 143 R HN 0.343 nan 8.270 nan 0.000 0.446 144 E N 0.477 120.733 120.200 0.094 0.000 2.150 144 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 144 E C 1.907 178.571 176.600 0.107 0.000 0.985 144 E CA 1.533 57.977 56.400 0.072 0.000 0.814 144 E CB 0.081 29.792 29.700 0.017 0.000 0.752 144 E HN 0.321 nan 8.360 nan 0.000 0.466 145 S N -0.849 114.947 115.700 0.160 0.000 2.528 145 S HA -0.053 4.417 4.470 -0.001 0.000 0.219 145 S C 0.603 175.330 174.600 0.212 0.000 0.985 145 S CA -0.480 57.831 58.200 0.184 0.000 0.914 145 S CB -0.362 62.988 63.200 0.249 0.000 0.776 145 S HN 0.233 nan 8.310 nan 0.000 0.526 146 W N 3.819 125.127 121.300 0.013 0.000 2.469 146 W HA 0.440 5.100 4.660 -0.001 0.000 0.321 146 W C -0.530 175.953 176.519 -0.061 0.000 1.415 146 W CA -1.071 56.263 57.345 -0.019 0.000 1.308 146 W CB -0.130 29.319 29.460 -0.017 0.000 1.368 146 W HN 0.039 nan 8.180 nan 0.000 0.546 147 K N 5.236 125.505 120.400 -0.220 0.000 2.507 147 K HA 0.405 4.724 4.320 -0.001 0.000 0.252 147 K C -1.401 174.816 176.600 -0.639 0.000 0.943 147 K CA -0.990 55.004 56.287 -0.488 0.000 0.808 147 K CB 2.241 34.528 32.500 -0.355 0.000 1.142 147 K HN 0.069 nan 8.250 nan 0.000 0.426 148 V N 5.011 124.529 119.914 -0.662 0.000 2.304 148 V HA 0.087 4.207 4.120 -0.001 0.000 0.269 148 V C 0.907 176.794 176.094 -0.345 0.000 1.036 148 V CA -0.537 61.496 62.300 -0.443 0.000 0.840 148 V CB 0.444 32.046 31.823 -0.368 0.000 1.036 148 V HN 0.811 nan 8.190 nan 0.000 0.466 149 H N 3.110 122.134 119.070 -0.077 0.000 2.395 149 H HA 0.093 4.648 4.556 -0.001 0.000 0.299 149 H C 0.387 175.691 175.328 -0.040 0.000 1.070 149 H CA 1.099 57.116 56.048 -0.051 0.000 1.356 149 H CB 0.552 30.298 29.762 -0.026 0.000 1.401 149 H HN 0.400 nan 8.280 nan 0.000 0.524 150 V N 1.141 121.096 119.914 0.069 0.000 2.447 150 V HA 0.462 4.582 4.120 -0.001 0.000 0.292 150 V C 0.057 176.158 176.094 0.011 0.000 1.021 150 V CA -1.063 61.261 62.300 0.040 0.000 0.850 150 V CB 1.370 33.228 31.823 0.058 0.000 1.005 150 V HN 0.352 nan 8.190 nan 0.000 0.426 151 A N 7.125 129.941 122.820 -0.006 0.000 2.483 151 A HA 0.506 4.826 4.320 -0.001 0.000 0.238 151 A C -0.977 176.616 177.584 0.015 0.000 1.070 151 A CA -0.803 51.228 52.037 -0.011 0.000 0.770 151 A CB 0.045 19.034 19.000 -0.019 0.000 1.008 151 A HN 0.652 nan 8.150 nan 0.000 0.497 152 P HA -0.216 nan 4.420 nan 0.000 0.217 152 P C 1.011 178.337 177.300 0.044 0.000 1.151 152 P CA 1.806 64.928 63.100 0.037 0.000 0.849 152 P CB 0.076 31.792 31.700 0.025 0.000 0.787 153 E N -0.469 119.748 120.200 0.029 0.000 2.097 153 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 153 E C 1.193 177.812 176.600 0.032 0.000 1.000 153 E CA 1.203 57.619 56.400 0.028 0.000 0.804 153 E CB -0.428 29.282 29.700 0.016 0.000 0.740 153 E HN 0.355 nan 8.360 nan 0.000 0.454 154 D N 0.077 120.495 120.400 0.029 0.000 2.340 154 D HA 0.026 4.665 4.640 -0.001 0.000 0.220 154 D C 0.331 176.657 176.300 0.043 0.000 1.039 154 D CA 0.310 54.328 54.000 0.030 0.000 0.866 154 D CB 0.149 40.961 40.800 0.020 0.000 0.913 154 D HN 0.083 nan 8.370 nan 0.000 0.523 155 R N 1.037 121.574 120.500 0.061 0.000 2.577 155 R HA 0.372 4.711 4.340 -0.001 0.000 0.269 155 R C -2.242 174.118 176.300 0.100 0.000 1.084 155 R CA -1.445 54.705 56.100 0.084 0.000 1.163 155 R CB -0.064 30.303 30.300 0.111 0.000 1.100 155 R HN -0.132 nan 8.270 nan 0.000 0.547 156 P HA -0.013 nan 4.420 nan 0.000 0.269 156 P C 0.279 177.715 177.300 0.227 0.000 1.215 156 P CA 0.179 63.363 63.100 0.139 0.000 0.780 156 P CB 0.612 32.401 31.700 0.149 0.000 0.898 157 T N -2.286 112.360 114.554 0.154 0.000 3.069 157 T HA 0.140 4.490 4.350 -0.001 0.000 0.252 157 T C 0.343 175.121 174.700 0.131 0.000 1.053 157 T CA -0.061 62.152 62.100 0.188 0.000 0.964 157 T CB -0.256 68.665 68.868 0.088 0.000 1.005 157 T HN 0.623 nan 8.240 nan 0.000 0.532 158 Q N -0.267 119.462 119.800 -0.118 0.000 2.575 158 Q HA 0.359 4.699 4.340 -0.001 0.000 0.290 158 Q C -1.365 174.115 176.000 -0.867 0.000 0.963 158 Q CA -1.189 54.188 55.803 -0.710 0.000 0.783 158 Q CB 1.055 29.545 28.738 -0.413 0.000 1.467 158 Q HN 0.139 nan 8.270 nan 0.000 0.402 159 Q N 0.506 119.497 119.800 -1.348 0.000 2.274 159 Q HA -0.019 4.320 4.340 -0.001 0.000 0.280 159 Q C -0.139 175.601 176.000 -0.434 0.000 1.047 159 Q CA 0.640 55.874 55.803 -0.948 0.000 0.907 159 Q CB 0.610 28.840 28.738 -0.848 0.000 1.171 159 Q HN 0.726 nan 8.270 nan 0.000 0.381 160 E N 2.503 122.539 120.200 -0.275 0.000 2.364 160 E HA -0.028 4.322 4.350 -0.001 0.000 0.196 160 E C -0.101 176.389 176.600 -0.183 0.000 0.990 160 E CA 0.176 56.463 56.400 -0.188 0.000 0.886 160 E CB 0.314 29.941 29.700 -0.123 0.000 0.866 160 E HN 0.684 nan 8.360 nan 0.000 0.493 161 N N 1.148 119.692 118.700 -0.260 0.000 2.434 161 N HA -0.011 4.728 4.740 -0.001 0.000 0.266 161 N C -0.008 175.406 175.510 -0.159 0.000 1.223 161 N CA -0.350 52.524 53.050 -0.293 0.000 0.972 161 N CB 0.502 38.541 38.487 -0.746 0.000 1.207 161 N HN -0.210 nan 8.380 nan 0.000 0.525 162 D N -2.108 118.302 120.400 0.017 0.000 2.427 162 D HA 0.074 4.713 4.640 -0.001 0.000 0.224 162 D C -0.790 175.674 176.300 0.274 0.000 1.157 162 D CA -0.591 53.475 54.000 0.110 0.000 0.828 162 D CB -0.413 40.448 40.800 0.102 0.000 0.974 162 D HN 0.371 nan 8.370 nan 0.000 0.498 163 W N 1.114 122.415 121.300 0.003 0.000 2.150 163 W HA 0.301 4.960 4.660 -0.001 0.000 0.341 163 W C 0.785 177.317 176.519 0.020 0.000 1.276 163 W CA -1.046 56.311 57.345 0.019 0.000 1.238 163 W CB 0.046 29.530 29.460 0.041 0.000 1.128 163 W HN -0.101 nan 8.180 nan 0.000 0.581 164 D N 2.431 122.983 120.400 0.254 0.000 2.522 164 D HA 0.110 4.750 4.640 -0.001 0.000 0.218 164 D C 1.260 177.677 176.300 0.195 0.000 1.149 164 D CA 0.061 54.156 54.000 0.158 0.000 0.981 164 D CB 0.105 40.959 40.800 0.091 0.000 1.041 164 D HN 0.294 nan 8.370 nan 0.000 0.518 165 L N 1.955 123.313 121.223 0.225 0.000 2.043 165 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 165 L C 2.047 179.026 176.870 0.181 0.000 1.075 165 L CA 1.211 56.193 54.840 0.236 0.000 0.752 165 L CB -0.245 41.952 42.059 0.229 0.000 0.891 165 L HN 0.388 nan 8.230 nan 0.000 0.432 166 E N -0.331 119.967 120.200 0.163 0.000 2.265 166 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 166 E C 1.144 177.812 176.600 0.112 0.000 0.996 166 E CA 0.767 57.272 56.400 0.175 0.000 0.832 166 E CB -0.125 29.700 29.700 0.208 0.000 0.756 166 E HN 0.350 nan 8.360 nan 0.000 0.491 167 N N 0.354 119.106 118.700 0.087 0.000 2.235 167 N HA 0.036 4.775 4.740 -0.001 0.000 0.209 167 N C -0.480 175.089 175.510 0.098 0.000 1.122 167 N CA -0.145 52.945 53.050 0.066 0.000 0.845 167 N CB 0.304 38.842 38.487 0.085 0.000 1.004 167 N HN -0.014 nan 8.380 nan 0.000 0.499 168 L N 0.551 121.829 121.223 0.092 0.000 2.417 168 L HA 0.403 4.742 4.340 -0.001 0.000 0.268 168 L C -0.895 175.991 176.870 0.027 0.000 1.158 168 L CA 0.104 55.028 54.840 0.140 0.000 0.819 168 L CB 0.228 42.400 42.059 0.188 0.000 1.112 168 L HN -0.080 nan 8.230 nan 0.000 0.458 169 F N 2.338 122.230 119.950 -0.097 0.000 2.482 169 F HA 0.409 4.936 4.527 -0.001 0.000 0.331 169 F C 0.271 176.058 175.800 -0.023 0.000 1.115 169 F CA -0.399 57.496 58.000 -0.175 0.000 0.955 169 F CB 1.927 40.625 39.000 -0.503 0.000 1.136 169 F HN 0.383 nan 8.300 nan 0.000 0.452 170 S N 3.375 119.178 115.700 0.172 0.000 2.420 170 S HA 0.692 5.162 4.470 -0.001 0.000 0.313 170 S C -1.041 173.671 174.600 0.186 0.000 1.079 170 S CA -0.475 57.838 58.200 0.188 0.000 1.104 170 S CB 0.270 63.588 63.200 0.196 0.000 0.969 170 S HN 0.359 nan 8.310 nan 0.000 0.471 171 V N 5.203 125.208 119.914 0.151 0.000 2.459 171 V HA 0.392 4.511 4.120 -0.001 0.000 0.295 171 V C 0.438 176.577 176.094 0.076 0.000 1.029 171 V CA -0.783 61.575 62.300 0.097 0.000 0.874 171 V CB 1.791 33.679 31.823 0.109 0.000 0.985 171 V HN 0.849 nan 8.190 nan 0.000 0.438 172 T N 6.722 121.298 114.554 0.037 0.000 2.752 172 T HA 0.346 4.695 4.350 -0.001 0.000 0.295 172 T C 0.215 174.901 174.700 -0.024 0.000 0.923 172 T CA 0.089 62.197 62.100 0.015 0.000 1.112 172 T CB -0.054 68.799 68.868 -0.026 0.000 0.884 172 T HN 0.394 nan 8.240 nan 0.000 0.525 173 L N 4.849 126.076 121.223 0.008 0.000 2.475 173 L HA 0.348 4.688 4.340 -0.001 0.000 0.253 173 L C 1.911 178.783 176.870 0.004 0.000 1.137 173 L CA -0.573 54.271 54.840 0.007 0.000 1.058 173 L CB -0.021 42.058 42.059 0.033 0.000 1.382 173 L HN 0.682 nan 8.230 nan 0.000 0.416 174 R N 1.118 121.597 120.500 -0.034 0.000 2.273 174 R HA -0.269 4.071 4.340 -0.001 0.000 0.229 174 R C 1.071 177.381 176.300 0.017 0.000 1.104 174 R CA 2.810 58.900 56.100 -0.017 0.000 0.870 174 R CB 0.056 30.318 30.300 -0.064 0.000 0.894 174 R HN 0.551 nan 8.270 nan 0.000 0.421 175 D N -0.730 119.696 120.400 0.044 0.000 2.309 175 D HA -0.068 4.572 4.640 -0.001 0.000 0.212 175 D C 1.217 177.515 176.300 -0.003 0.000 0.968 175 D CA 1.229 55.244 54.000 0.025 0.000 0.882 175 D CB -0.033 40.807 40.800 0.067 0.000 0.918 175 D HN 0.475 nan 8.370 nan 0.000 0.503 176 A N -0.245 122.582 122.820 0.013 0.000 2.218 176 A HA 0.433 4.752 4.320 -0.001 0.000 0.209 176 A C 1.827 179.417 177.584 0.010 0.000 1.168 176 A CA 0.732 52.777 52.037 0.013 0.000 0.804 176 A CB -0.296 18.721 19.000 0.028 0.000 0.834 176 A HN 0.198 nan 8.150 nan 0.000 0.482 177 G N -0.780 108.024 108.800 0.006 0.000 2.225 177 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 177 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 177 G C -0.016 174.918 174.900 0.057 0.000 1.024 177 G CA 0.785 45.904 45.100 0.031 0.000 0.784 177 G HN 0.673 nan 8.290 nan 0.000 0.507 178 Q N -1.135 118.696 119.800 0.051 0.000 2.552 178 Q HA 0.829 5.168 4.340 -0.001 0.000 0.289 178 Q C 0.265 176.304 176.000 0.065 0.000 1.097 178 Q CA -0.891 54.947 55.803 0.059 0.000 0.812 178 Q CB 2.116 30.886 28.738 0.053 0.000 1.460 178 Q HN 0.768 nan 8.270 nan 0.000 0.452 179 I N -2.724 117.891 120.570 0.075 0.000 2.769 179 I HA 0.916 5.086 4.170 -0.001 0.000 0.298 179 I C -1.360 174.812 176.117 0.092 0.000 1.128 179 I CA -1.199 60.153 61.300 0.087 0.000 1.031 179 I CB 2.222 40.284 38.000 0.103 0.000 1.235 179 I HN 0.560 nan 8.210 nan 0.000 0.423 180 A N 6.365 129.244 122.820 0.099 0.000 2.318 180 A HA 0.796 5.115 4.320 -0.001 0.000 0.324 180 A C -0.773 176.885 177.584 0.125 0.000 1.170 180 A CA -0.651 51.447 52.037 0.101 0.000 0.810 180 A CB 1.106 20.161 19.000 0.092 0.000 1.198 180 A HN 0.768 nan 8.150 nan 0.000 0.484 181 L N 3.767 125.060 121.223 0.117 0.000 2.255 181 L HA 0.459 4.799 4.340 -0.001 0.000 0.289 181 L C -0.754 176.148 176.870 0.054 0.000 1.046 181 L CA -0.003 54.911 54.840 0.124 0.000 0.816 181 L CB 0.607 42.774 42.059 0.179 0.000 1.197 181 L HN 0.568 nan 8.230 nan 0.000 0.427 182 I N 2.271 122.916 120.570 0.125 0.000 2.433 182 I HA 0.230 4.400 4.170 -0.001 0.000 0.292 182 I C 0.031 176.245 176.117 0.162 0.000 1.001 182 I CA -0.678 60.708 61.300 0.144 0.000 1.119 182 I CB 2.245 40.428 38.000 0.305 0.000 1.289 182 I HN 0.519 nan 8.210 nan 0.000 0.438 183 D N 4.534 124.960 120.400 0.043 0.000 2.417 183 D HA 0.018 4.658 4.640 -0.001 0.000 0.250 183 D C 1.134 177.528 176.300 0.158 0.000 1.166 183 D CA 0.278 54.288 54.000 0.016 0.000 0.881 183 D CB 1.876 42.595 40.800 -0.135 0.000 1.164 183 D HN 0.825 nan 8.370 nan 0.000 0.467 184 G N 2.233 111.164 108.800 0.218 0.000 2.509 184 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 184 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 184 G C 1.358 176.323 174.900 0.109 0.000 1.124 184 G CA 0.964 46.270 45.100 0.343 0.000 0.776 184 G HN 0.538 nan 8.290 nan 0.000 0.547 185 S N -0.581 115.027 115.700 -0.155 0.000 2.527 185 S HA -0.016 4.453 4.470 -0.001 0.000 0.227 185 S C 2.110 176.234 174.600 -0.794 0.000 1.059 185 S CA 1.181 59.161 58.200 -0.368 0.000 0.919 185 S CB -0.083 63.015 63.200 -0.169 0.000 0.805 185 S HN 0.348 nan 8.310 nan 0.000 0.500 186 T N -2.733 111.447 114.554 -0.623 0.000 3.037 186 T HA 0.186 4.536 4.350 -0.001 0.000 0.251 186 T C 0.370 174.721 174.700 -0.582 0.000 1.079 186 T CA 0.259 62.019 62.100 -0.567 0.000 1.067 186 T CB -0.753 67.954 68.868 -0.269 0.000 0.948 186 T HN 0.354 nan 8.240 nan 0.000 0.496 187 Y N 0.409 120.631 120.300 -0.129 0.000 4.668 187 Y HA -0.186 4.364 4.550 -0.001 0.000 0.234 187 Y C 0.314 176.160 175.900 -0.091 0.000 1.056 187 Y CA 0.005 58.011 58.100 -0.157 0.000 2.025 187 Y CB -2.763 35.432 38.460 -0.442 0.000 1.613 187 Y HN 0.569 nan 8.280 nan 0.000 0.653 188 E N 1.356 121.541 120.200 -0.025 0.000 2.316 188 E HA 0.371 4.721 4.350 -0.001 0.000 0.275 188 E C 0.021 176.596 176.600 -0.041 0.000 1.029 188 E CA -0.453 55.923 56.400 -0.039 0.000 0.871 188 E CB 0.468 30.107 29.700 -0.102 0.000 1.022 188 E HN 0.354 nan 8.360 nan 0.000 0.418 189 I N 6.381 126.942 120.570 -0.015 0.000 2.406 189 I HA -0.043 4.126 4.170 -0.001 0.000 0.293 189 I C 1.326 177.395 176.117 -0.080 0.000 1.101 189 I CA -0.254 61.037 61.300 -0.014 0.000 1.334 189 I CB 0.496 38.508 38.000 0.020 0.000 1.421 189 I HN 0.448 nan 8.210 nan 0.000 0.513 190 K N 3.094 123.382 120.400 -0.187 0.000 2.097 190 K HA 0.014 4.334 4.320 -0.001 0.000 0.205 190 K C 0.842 177.392 176.600 -0.083 0.000 1.050 190 K CA 0.814 56.901 56.287 -0.332 0.000 0.938 190 K CB -0.051 31.858 32.500 -0.985 0.000 0.718 190 K HN 0.650 nan 8.250 nan 0.000 0.442 191 T N -0.951 113.605 114.554 0.005 0.000 2.831 191 T HA 0.333 4.683 4.350 -0.001 0.000 0.333 191 T C -1.999 172.755 174.700 0.091 0.000 1.684 191 T CA -0.689 61.469 62.100 0.097 0.000 1.049 191 T CB 1.382 70.377 68.868 0.211 0.000 1.518 191 T HN -0.241 nan 8.240 nan 0.000 0.491 192 V N 4.395 124.360 119.914 0.085 0.000 2.407 192 V HA 0.564 4.683 4.120 -0.001 0.000 0.291 192 V C -0.358 175.782 176.094 0.078 0.000 1.018 192 V CA -0.683 61.663 62.300 0.077 0.000 0.842 192 V CB 1.300 33.159 31.823 0.060 0.000 0.996 192 V HN 0.741 nan 8.190 nan 0.000 0.426 193 L N 3.894 125.167 121.223 0.083 0.000 2.325 193 L HA 0.621 4.961 4.340 -0.001 0.000 0.278 193 L C -0.497 176.412 176.870 0.064 0.000 1.023 193 L CA -0.595 54.289 54.840 0.074 0.000 0.811 193 L CB 1.884 43.993 42.059 0.083 0.000 1.249 193 L HN 0.544 nan 8.230 nan 0.000 0.431 194 D N -0.388 120.044 120.400 0.054 0.000 2.193 194 D HA 0.371 5.011 4.640 -0.001 0.000 0.249 194 D C 0.675 177.011 176.300 0.060 0.000 1.034 194 D CA -0.136 53.896 54.000 0.054 0.000 0.902 194 D CB 1.901 42.728 40.800 0.045 0.000 1.182 194 D HN 0.675 nan 8.370 nan 0.000 0.436 195 T N -1.902 112.697 114.554 0.075 0.000 2.958 195 T HA 0.360 4.710 4.350 -0.001 0.000 0.256 195 T C 1.492 176.257 174.700 0.109 0.000 0.983 195 T CA 0.332 62.486 62.100 0.090 0.000 0.924 195 T CB 0.493 69.422 68.868 0.103 0.000 1.136 195 T HN 0.602 nan 8.240 nan 0.000 0.506 196 G N 0.413 109.278 108.800 0.107 0.000 2.195 196 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.246 196 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.246 196 G C -0.189 174.832 174.900 0.201 0.000 0.984 196 G CA 0.197 45.373 45.100 0.127 0.000 0.633 196 G HN 0.827 nan 8.290 nan 0.000 0.525 197 Y N -0.013 120.312 120.300 0.041 0.000 2.565 197 Y HA 0.554 5.103 4.550 -0.001 0.000 0.330 197 Y C 0.121 176.048 175.900 0.046 0.000 1.150 197 Y CA -0.327 57.797 58.100 0.041 0.000 1.055 197 Y CB 1.038 39.517 38.460 0.031 0.000 1.337 197 Y HN 0.971 nan 8.280 nan 0.000 0.457 198 A N 3.462 126.247 122.820 -0.059 0.000 2.591 198 A HA 0.360 4.680 4.320 -0.001 0.000 0.244 198 A C -0.610 177.102 177.584 0.212 0.000 1.031 198 A CA 0.338 52.407 52.037 0.054 0.000 0.767 198 A CB -0.573 18.411 19.000 -0.028 0.000 0.942 198 A HN 0.543 nan 8.150 nan 0.000 0.514 199 V N 2.953 122.955 119.914 0.147 0.000 2.644 199 V HA 0.221 4.341 4.120 -0.001 0.000 0.295 199 V C 1.153 177.346 176.094 0.166 0.000 1.053 199 V CA -0.023 62.367 62.300 0.149 0.000 0.987 199 V CB 1.428 33.317 31.823 0.110 0.000 1.006 199 V HN 1.133 nan 8.190 nan 0.000 0.472 200 H N 3.446 122.551 119.070 0.058 0.000 2.334 200 H HA 0.423 4.979 4.556 -0.001 0.000 0.315 200 H C 0.207 175.590 175.328 0.091 0.000 1.056 200 H CA 1.403 57.485 56.048 0.057 0.000 1.418 200 H CB 0.475 30.253 29.762 0.028 0.000 1.464 200 H HN 0.602 nan 8.280 nan 0.000 0.587 201 I N -2.342 118.281 120.570 0.088 0.000 3.174 201 I HA 0.576 4.745 4.170 -0.001 0.000 0.313 201 I C -0.802 175.260 176.117 -0.092 0.000 1.155 201 I CA -0.912 60.383 61.300 -0.009 0.000 0.977 201 I CB 2.555 40.456 38.000 -0.165 0.000 1.248 201 I HN -0.121 nan 8.210 nan 0.000 0.453 202 S N 1.968 117.501 115.700 -0.277 0.000 2.501 202 S HA 0.789 5.258 4.470 -0.001 0.000 0.301 202 S C -0.561 173.814 174.600 -0.376 0.000 1.096 202 S CA -0.813 57.286 58.200 -0.168 0.000 1.063 202 S CB 1.281 64.526 63.200 0.076 0.000 1.042 202 S HN 0.483 nan 8.310 nan 0.000 0.494 203 R N 1.331 121.760 120.500 -0.118 0.000 2.771 203 R HA 0.551 4.891 4.340 -0.001 0.000 0.274 203 R C -1.576 174.782 176.300 0.097 0.000 0.987 203 R CA -0.799 55.247 56.100 -0.090 0.000 0.908 203 R CB 1.235 31.465 30.300 -0.117 0.000 1.213 203 R HN 0.418 nan 8.270 nan 0.000 0.468 204 L N 1.172 122.447 121.223 0.087 0.000 2.342 204 L HA 0.422 4.762 4.340 -0.001 0.000 0.271 204 L C 0.799 177.767 176.870 0.163 0.000 1.008 204 L CA -0.458 54.475 54.840 0.156 0.000 0.818 204 L CB 1.882 43.993 42.059 0.087 0.000 1.296 204 L HN 0.811 nan 8.230 nan 0.000 0.427 205 S N 0.989 116.843 115.700 0.256 0.000 2.584 205 S HA 0.256 4.726 4.470 -0.001 0.000 0.270 205 S C 1.253 175.905 174.600 0.087 0.000 1.346 205 S CA 0.113 58.436 58.200 0.206 0.000 1.018 205 S CB 1.057 64.457 63.200 0.333 0.000 0.899 205 S HN 0.715 nan 8.310 nan 0.000 0.542 206 A N 1.545 124.394 122.820 0.048 0.000 2.076 206 A HA -0.035 4.284 4.320 -0.001 0.000 0.220 206 A C 2.327 179.924 177.584 0.021 0.000 1.160 206 A CA 1.680 53.728 52.037 0.018 0.000 0.653 206 A CB -1.331 17.671 19.000 0.004 0.000 0.801 206 A HN 1.296 nan 8.150 nan 0.000 0.455 207 S N -2.433 113.280 115.700 0.022 0.000 2.501 207 S HA 0.363 4.833 4.470 -0.001 0.000 0.220 207 S C 1.528 176.135 174.600 0.012 0.000 0.997 207 S CA 1.094 59.299 58.200 0.008 0.000 0.919 207 S CB -0.202 62.971 63.200 -0.044 0.000 0.778 207 S HN 1.866 nan 8.310 nan 0.000 0.523 208 G N 1.833 110.636 108.800 0.006 0.000 2.157 208 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.248 208 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.248 208 G C 0.816 175.680 174.900 -0.060 0.000 0.979 208 G CA 0.442 45.555 45.100 0.022 0.000 0.650 208 G HN 0.587 nan 8.290 nan 0.000 0.529 209 R N -0.946 119.398 120.500 -0.261 0.000 2.080 209 R HA 0.207 4.547 4.340 -0.001 0.000 0.222 209 R C 0.210 176.117 176.300 -0.655 0.000 1.107 209 R CA 0.614 56.307 56.100 -0.677 0.000 0.980 209 R CB 0.040 29.512 30.300 -1.379 0.000 0.879 209 R HN 0.350 nan 8.270 nan 0.000 0.439 210 Y N 0.715 120.902 120.300 -0.189 0.000 2.330 210 Y HA 0.310 4.860 4.550 -0.001 0.000 0.336 210 Y C -0.456 175.345 175.900 -0.166 0.000 1.036 210 Y CA -1.203 56.758 58.100 -0.232 0.000 1.125 210 Y CB 1.567 39.859 38.460 -0.279 0.000 1.194 210 Y HN -0.016 nan 8.280 nan 0.000 0.469 211 L N 4.994 126.169 121.223 -0.080 0.000 2.272 211 L HA 0.590 4.929 4.340 -0.001 0.000 0.289 211 L C -1.712 175.047 176.870 -0.186 0.000 1.032 211 L CA -0.525 54.300 54.840 -0.026 0.000 0.810 211 L CB -0.171 41.902 42.059 0.023 0.000 1.205 211 L HN 0.355 nan 8.230 nan 0.000 0.422 212 F N 5.098 125.064 119.950 0.028 0.000 2.436 212 F HA 0.648 5.175 4.527 -0.001 0.000 0.340 212 F C 0.094 175.885 175.800 -0.014 0.000 1.113 212 F CA -0.667 57.333 58.000 0.001 0.000 1.022 212 F CB 1.935 40.915 39.000 -0.033 0.000 1.128 212 F HN 0.381 nan 8.300 nan 0.000 0.466 213 V N 2.141 122.145 119.914 0.150 0.000 2.656 213 V HA 0.701 4.821 4.120 -0.001 0.000 0.307 213 V C -1.103 175.043 176.094 0.087 0.000 1.051 213 V CA -0.927 61.431 62.300 0.096 0.000 0.893 213 V CB 1.838 33.712 31.823 0.085 0.000 0.999 213 V HN 0.636 nan 8.190 nan 0.000 0.426 214 I N 4.155 124.761 120.570 0.060 0.000 2.355 214 I HA 0.833 5.003 4.170 -0.001 0.000 0.288 214 I C 0.682 176.834 176.117 0.058 0.000 0.999 214 I CA 0.090 61.412 61.300 0.037 0.000 1.163 214 I CB 1.083 39.078 38.000 -0.008 0.000 1.316 214 I HN 0.999 nan 8.210 nan 0.000 0.454 215 G N 6.036 114.866 108.800 0.049 0.000 2.476 215 G HA2 0.260 4.219 3.960 -0.001 0.000 0.269 215 G HA3 0.260 4.219 3.960 -0.001 0.000 0.269 215 G C 0.531 175.452 174.900 0.034 0.000 1.195 215 G CA -0.581 44.572 45.100 0.088 0.000 0.843 215 G HN 0.743 nan 8.290 nan 0.000 0.545 216 R N 0.177 120.749 120.500 0.120 0.000 2.200 216 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 216 R C 1.433 177.664 176.300 -0.115 0.000 1.127 216 R CA 1.415 57.539 56.100 0.039 0.000 0.989 216 R CB 0.131 30.556 30.300 0.209 0.000 0.869 216 R HN 0.706 nan 8.270 nan 0.000 0.459 217 D N -0.817 119.399 120.400 -0.308 0.000 2.336 217 D HA 0.021 4.660 4.640 -0.001 0.000 0.229 217 D C 1.053 177.150 176.300 -0.340 0.000 1.061 217 D CA 0.769 54.439 54.000 -0.550 0.000 0.875 217 D CB 0.192 40.333 40.800 -1.098 0.000 0.904 217 D HN 0.265 nan 8.370 nan 0.000 0.525 218 G N 0.462 109.123 108.800 -0.231 0.000 2.157 218 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.248 218 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.248 218 G C 0.182 174.983 174.900 -0.165 0.000 0.979 218 G CA 0.203 45.175 45.100 -0.214 0.000 0.650 218 G HN 0.574 nan 8.290 nan 0.000 0.529 219 K N 0.854 121.183 120.400 -0.118 0.000 2.258 219 K HA 0.614 4.933 4.320 -0.001 0.000 0.284 219 K C 0.089 176.694 176.600 0.008 0.000 1.051 219 K CA -0.481 55.781 56.287 -0.042 0.000 0.923 219 K CB 1.293 33.785 32.500 -0.013 0.000 1.046 219 K HN 0.180 nan 8.250 nan 0.000 0.474 220 V N 5.559 125.494 119.914 0.035 0.000 2.398 220 V HA 0.399 4.519 4.120 -0.001 0.000 0.286 220 V C -0.319 175.834 176.094 0.098 0.000 1.026 220 V CA -0.885 61.458 62.300 0.071 0.000 0.868 220 V CB 1.433 33.301 31.823 0.076 0.000 0.982 220 V HN 0.805 nan 8.190 nan 0.000 0.443 221 N N 4.419 123.178 118.700 0.097 0.000 2.284 221 N HA 0.542 5.282 4.740 -0.001 0.000 0.300 221 N C -1.039 174.471 175.510 -0.000 0.000 1.047 221 N CA -0.506 52.588 53.050 0.073 0.000 0.821 221 N CB 2.499 41.030 38.487 0.072 0.000 1.337 221 N HN 0.653 nan 8.380 nan 0.000 0.482 222 M N 3.730 123.282 119.600 -0.081 0.000 2.181 222 M HA 0.497 4.976 4.480 -0.001 0.000 0.323 222 M C -1.528 174.657 176.300 -0.191 0.000 1.004 222 M CA -0.510 54.577 55.300 -0.354 0.000 0.941 222 M CB 0.887 33.247 32.600 -0.400 0.000 1.579 222 M HN 0.425 nan 8.290 nan 0.000 0.427 223 I N 3.777 124.238 120.570 -0.183 0.000 2.378 223 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 223 I C -0.627 175.504 176.117 0.024 0.000 0.992 223 I CA -0.689 60.588 61.300 -0.038 0.000 1.154 223 I CB 1.734 39.731 38.000 -0.006 0.000 1.315 223 I HN 0.583 nan 8.210 nan 0.000 0.448 224 D N 6.756 127.191 120.400 0.058 0.000 2.380 224 D HA 0.207 4.846 4.640 -0.001 0.000 0.230 224 D C 0.744 176.995 176.300 -0.082 0.000 1.154 224 D CA -0.058 53.942 54.000 -0.001 0.000 0.859 224 D CB 1.076 41.925 40.800 0.080 0.000 1.045 224 D HN 0.440 nan 8.370 nan 0.000 0.495 225 L N 2.856 123.991 121.223 -0.147 0.000 2.622 225 L HA -0.004 4.336 4.340 -0.001 0.000 0.233 225 L C 1.168 178.060 176.870 0.036 0.000 1.156 225 L CA 0.102 54.906 54.840 -0.060 0.000 0.866 225 L CB -0.026 42.035 42.059 0.004 0.000 0.980 225 L HN 0.489 nan 8.230 nan 0.000 0.448 226 W N -0.326 120.828 121.300 -0.245 0.000 3.003 226 W HA 0.150 4.810 4.660 -0.001 0.000 0.257 226 W C 1.103 177.488 176.519 -0.224 0.000 1.308 226 W CA -0.821 56.387 57.345 -0.227 0.000 1.529 226 W CB -0.380 28.962 29.460 -0.197 0.000 1.115 226 W HN 0.022 nan 8.180 nan 0.000 0.659 227 M N 0.900 120.498 119.600 -0.003 0.000 2.245 227 M HA -0.029 4.450 4.480 -0.001 0.000 0.330 227 M C 1.926 178.117 176.300 -0.182 0.000 1.098 227 M CA 0.285 55.546 55.300 -0.065 0.000 1.172 227 M CB 0.635 33.205 32.600 -0.050 0.000 1.467 227 M HN -0.309 nan 8.290 nan 0.000 0.454 228 K N 1.757 122.075 120.400 -0.137 0.000 2.103 228 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 228 K C -0.210 176.283 176.600 -0.178 0.000 1.048 228 K CA 1.646 57.838 56.287 -0.158 0.000 0.930 228 K CB 0.287 32.743 32.500 -0.074 0.000 0.716 228 K HN 0.643 nan 8.250 nan 0.000 0.444 229 E N 1.047 121.179 120.200 -0.112 0.000 2.593 229 E HA 0.226 4.576 4.350 -0.001 0.000 0.232 229 E C -2.538 174.029 176.600 -0.055 0.000 1.026 229 E CA -2.208 54.164 56.400 -0.047 0.000 0.772 229 E CB 1.563 31.277 29.700 0.023 0.000 1.310 229 E HN 0.093 nan 8.360 nan 0.000 0.413 230 P HA -0.077 nan 4.420 nan 0.000 0.262 230 P C -0.348 176.969 177.300 0.027 0.000 1.182 230 P CA 0.610 63.674 63.100 -0.061 0.000 0.761 230 P CB 0.823 32.472 31.700 -0.086 0.000 0.795 231 T N 1.332 115.898 114.554 0.020 0.000 2.711 231 T HA 0.319 4.669 4.350 -0.001 0.000 0.302 231 T C -0.908 173.807 174.700 0.026 0.000 1.373 231 T CA -0.520 61.596 62.100 0.027 0.000 1.000 231 T CB 0.542 69.416 68.868 0.009 0.000 1.483 231 T HN 0.112 nan 8.240 nan 0.000 0.499 232 T N 2.222 116.790 114.554 0.023 0.000 2.829 232 T HA 0.256 4.606 4.350 -0.001 0.000 0.293 232 T C 1.598 176.370 174.700 0.120 0.000 0.970 232 T CA 0.339 62.475 62.100 0.060 0.000 1.168 232 T CB 0.519 69.435 68.868 0.081 0.000 0.911 232 T HN 0.667 nan 8.240 nan 0.000 0.535 233 V N 0.502 120.483 119.914 0.112 0.000 3.644 233 V HA 0.730 4.849 4.120 -0.001 0.000 0.267 233 V C 0.555 176.705 176.094 0.094 0.000 1.277 233 V CA 0.300 62.671 62.300 0.119 0.000 1.096 233 V CB -0.672 31.190 31.823 0.066 0.000 0.828 233 V HN 0.966 nan 8.190 nan 0.000 0.446 234 A N 0.836 123.709 122.820 0.089 0.000 2.594 234 A HA 0.752 5.072 4.320 -0.001 0.000 0.296 234 A C -0.937 176.694 177.584 0.078 0.000 1.061 234 A CA -0.174 51.868 52.037 0.008 0.000 0.689 234 A CB 1.419 20.444 19.000 0.041 0.000 1.280 234 A HN 0.673 nan 8.150 nan 0.000 0.406 235 E N 0.862 121.107 120.200 0.074 0.000 2.413 235 E HA 0.862 5.211 4.350 -0.001 0.000 0.277 235 E C -1.376 175.345 176.600 0.202 0.000 0.958 235 E CA -0.774 55.709 56.400 0.139 0.000 0.779 235 E CB 2.232 32.031 29.700 0.165 0.000 1.278 235 E HN 1.021 nan 8.360 nan 0.000 0.456 236 I N 0.250 120.923 120.570 0.171 0.000 2.882 236 I HA 0.336 4.505 4.170 -0.001 0.000 0.298 236 I C -1.994 174.189 176.117 0.109 0.000 1.462 236 I CA -0.733 60.675 61.300 0.181 0.000 1.000 236 I CB 2.198 40.290 38.000 0.154 0.000 1.340 236 I HN 0.663 nan 8.210 nan 0.000 0.462 237 K N 5.431 125.909 120.400 0.131 0.000 2.159 237 K HA 0.512 4.831 4.320 -0.001 0.000 0.266 237 K C 0.039 176.677 176.600 0.063 0.000 0.975 237 K CA -0.474 55.829 56.287 0.028 0.000 0.865 237 K CB 1.280 33.788 32.500 0.015 0.000 1.087 237 K HN 0.591 nan 8.250 nan 0.000 0.446 238 I N -0.252 120.253 120.570 -0.108 0.000 4.154 238 I HA 0.468 4.637 4.170 -0.001 0.000 0.334 238 I C 0.328 176.339 176.117 -0.177 0.000 1.371 238 I CA -0.225 61.048 61.300 -0.045 0.000 1.110 238 I CB 1.154 39.123 38.000 -0.052 0.000 1.085 238 I HN 0.647 nan 8.210 nan 0.000 0.398 239 G N -0.135 108.337 108.800 -0.547 0.000 2.341 239 G HA2 0.337 4.297 3.960 -0.001 0.000 0.299 239 G HA3 0.337 4.297 3.960 -0.001 0.000 0.299 239 G C -0.368 174.178 174.900 -0.590 0.000 1.274 239 G CA 0.156 44.931 45.100 -0.541 0.000 0.853 239 G HN -0.152 nan 8.290 nan 0.000 0.493 240 S N -0.380 115.155 115.700 -0.275 0.000 2.475 240 S HA 0.314 4.784 4.470 -0.001 0.000 0.224 240 S C 0.164 174.689 174.600 -0.124 0.000 1.042 240 S CA 0.546 58.644 58.200 -0.169 0.000 0.935 240 S CB 0.240 63.469 63.200 0.049 0.000 0.801 240 S HN 0.449 nan 8.310 nan 0.000 0.509 241 E N 0.395 120.574 120.200 -0.034 0.000 2.263 241 E HA 0.722 5.072 4.350 -0.001 0.000 0.268 241 E C -1.103 175.442 176.600 -0.092 0.000 0.884 241 E CA -0.314 56.069 56.400 -0.029 0.000 0.766 241 E CB 2.175 31.955 29.700 0.133 0.000 1.196 241 E HN 0.233 nan 8.360 nan 0.000 0.416 242 A N 2.417 125.103 122.820 -0.224 0.000 2.606 242 A HA 0.733 5.053 4.320 -0.001 0.000 0.293 242 A C -0.131 177.212 177.584 -0.401 0.000 1.082 242 A CA -0.554 51.305 52.037 -0.297 0.000 0.685 242 A CB 1.450 20.340 19.000 -0.183 0.000 1.284 242 A HN 0.441 nan 8.150 nan 0.000 0.408 243 R N -0.143 120.095 120.500 -0.435 0.000 2.551 243 R HA 0.196 4.536 4.340 -0.001 0.000 0.316 243 R C -0.017 176.203 176.300 -0.133 0.000 0.934 243 R CA 0.912 56.792 56.100 -0.367 0.000 1.117 243 R CB 0.409 30.344 30.300 -0.608 0.000 1.626 243 R HN 0.907 nan 8.270 nan 0.000 0.513 244 S N 0.026 115.646 115.700 -0.134 0.000 2.570 244 S HA 0.797 5.267 4.470 -0.001 0.000 0.286 244 S C -0.399 174.122 174.600 -0.132 0.000 1.099 244 S CA -0.728 57.411 58.200 -0.101 0.000 0.913 244 S CB 2.565 65.707 63.200 -0.096 0.000 1.085 244 S HN 0.161 nan 8.310 nan 0.000 0.480 245 I N 0.540 121.016 120.570 -0.155 0.000 2.842 245 I HA 0.740 4.909 4.170 -0.001 0.000 0.297 245 I C -2.013 173.954 176.117 -0.249 0.000 1.380 245 I CA -0.210 60.964 61.300 -0.209 0.000 1.018 245 I CB 2.177 40.090 38.000 -0.145 0.000 1.311 245 I HN 0.919 nan 8.210 nan 0.000 0.439 246 E N 2.967 122.956 120.200 -0.352 0.000 2.430 246 E HA 0.629 4.978 4.350 -0.001 0.000 0.279 246 E C -1.517 174.859 176.600 -0.373 0.000 1.003 246 E CA -0.374 55.842 56.400 -0.307 0.000 0.801 246 E CB 2.059 31.614 29.700 -0.241 0.000 1.313 246 E HN 0.635 nan 8.360 nan 0.000 0.459 247 T N -0.985 113.456 114.554 -0.188 0.000 2.932 247 T HA 0.663 5.013 4.350 -0.001 0.000 0.289 247 T C -0.275 174.516 174.700 0.151 0.000 1.039 247 T CA -0.596 61.427 62.100 -0.130 0.000 1.024 247 T CB 1.104 69.867 68.868 -0.176 0.000 1.090 247 T HN 0.526 nan 8.240 nan 0.000 0.496 248 S N 0.815 116.566 115.700 0.086 0.000 2.516 248 S HA 0.293 4.762 4.470 -0.001 0.000 0.282 248 S C 0.205 174.768 174.600 -0.062 0.000 1.286 248 S CA -0.773 57.348 58.200 -0.132 0.000 1.066 248 S CB 0.364 63.307 63.200 -0.429 0.000 0.884 248 S HN 0.815 nan 8.310 nan 0.000 0.491 249 K N 0.920 121.249 120.400 -0.117 0.000 2.469 249 K HA 0.228 4.548 4.320 -0.001 0.000 0.204 249 K C -0.202 176.246 176.600 -0.252 0.000 1.047 249 K CA -0.344 55.805 56.287 -0.231 0.000 1.072 249 K CB 0.402 32.632 32.500 -0.451 0.000 0.863 249 K HN 0.594 nan 8.250 nan 0.000 0.530 250 M N 2.345 121.910 119.600 -0.058 0.000 2.185 250 M HA 0.082 4.561 4.480 -0.001 0.000 0.357 250 M C -0.065 176.323 176.300 0.147 0.000 1.260 250 M CA -0.232 55.077 55.300 0.014 0.000 1.124 250 M CB 0.657 33.266 32.600 0.015 0.000 1.600 250 M HN 0.027 nan 8.290 nan 0.000 0.467 251 E N 3.225 123.477 120.200 0.086 0.000 2.529 251 E HA 0.255 4.604 4.350 -0.001 0.000 0.259 251 E C 0.849 177.518 176.600 0.115 0.000 0.966 251 E CA 1.360 57.806 56.400 0.077 0.000 0.937 251 E CB 0.049 29.770 29.700 0.035 0.000 0.923 251 E HN 0.980 nan 8.360 nan 0.000 0.468 252 G N 3.870 112.685 108.800 0.024 0.000 2.234 252 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.235 252 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.235 252 G C 0.085 174.790 174.900 -0.326 0.000 0.997 252 G CA 0.181 45.194 45.100 -0.143 0.000 0.623 252 G HN 0.650 nan 8.290 nan 0.000 0.514 253 W N 2.044 123.343 121.300 -0.002 0.000 2.926 253 W HA 0.650 5.310 4.660 -0.001 0.000 0.419 253 W C 0.339 176.820 176.519 -0.063 0.000 0.993 253 W CA -0.573 56.771 57.345 -0.001 0.000 2.025 253 W CB 0.463 30.003 29.460 0.133 0.000 1.152 253 W HN 0.132 nan 8.180 nan 0.000 0.659 254 E N 1.121 121.359 120.200 0.064 0.000 2.415 254 E HA -0.036 4.313 4.350 -0.001 0.000 0.263 254 E C 0.714 177.318 176.600 0.006 0.000 0.995 254 E CA 0.938 57.356 56.400 0.030 0.000 0.915 254 E CB 0.102 29.808 29.700 0.011 0.000 0.951 254 E HN 0.050 nan 8.360 nan 0.000 0.449 255 D N 1.858 122.273 120.400 0.024 0.000 3.059 255 D HA -0.213 4.426 4.640 -0.001 0.000 0.213 255 D C 0.805 177.064 176.300 -0.068 0.000 1.144 255 D CA 0.843 54.863 54.000 0.034 0.000 0.975 255 D CB -0.197 40.647 40.800 0.073 0.000 1.125 255 D HN 0.392 nan 8.370 nan 0.000 0.412 256 K N -0.759 119.569 120.400 -0.121 0.000 2.062 256 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 256 K C 0.789 177.004 176.600 -0.642 0.000 1.051 256 K CA 1.234 57.312 56.287 -0.349 0.000 0.941 256 K CB 0.165 32.551 32.500 -0.190 0.000 0.719 256 K HN 0.320 nan 8.250 nan 0.000 0.440 257 Y N -1.432 118.796 120.300 -0.120 0.000 2.588 257 Y HA 0.535 5.084 4.550 -0.001 0.000 0.343 257 Y C -0.580 175.224 175.900 -0.159 0.000 1.065 257 Y CA -1.525 56.491 58.100 -0.140 0.000 1.038 257 Y CB 1.919 40.258 38.460 -0.203 0.000 1.297 257 Y HN -0.082 nan 8.280 nan 0.000 0.467 258 A N 1.882 124.675 122.820 -0.046 0.000 2.454 258 A HA 0.874 5.193 4.320 -0.001 0.000 0.302 258 A C -1.806 175.526 177.584 -0.420 0.000 1.079 258 A CA -0.775 51.020 52.037 -0.402 0.000 0.731 258 A CB 1.633 20.207 19.000 -0.709 0.000 1.299 258 A HN 0.764 nan 8.150 nan 0.000 0.413 259 I N 0.535 120.703 120.570 -0.670 0.000 2.619 259 I HA 0.754 4.923 4.170 -0.001 0.000 0.292 259 I C -0.493 175.355 176.117 -0.449 0.000 1.100 259 I CA -0.676 60.230 61.300 -0.657 0.000 1.043 259 I CB 1.949 39.196 38.000 -1.255 0.000 1.239 259 I HN 0.918 nan 8.210 nan 0.000 0.420 260 A N 4.725 127.385 122.820 -0.266 0.000 2.386 260 A HA 0.881 5.200 4.320 -0.001 0.000 0.311 260 A C -0.596 176.922 177.584 -0.109 0.000 1.068 260 A CA -0.426 51.501 52.037 -0.183 0.000 0.743 260 A CB 1.601 20.523 19.000 -0.130 0.000 1.258 260 A HN 0.860 nan 8.150 nan 0.000 0.429 261 G N -0.056 108.684 108.800 -0.101 0.000 2.452 261 G HA2 0.740 4.700 3.960 -0.001 0.000 0.324 261 G HA3 0.740 4.700 3.960 -0.001 0.000 0.324 261 G C -0.399 174.479 174.900 -0.037 0.000 1.214 261 G CA 0.128 45.209 45.100 -0.032 0.000 0.947 261 G HN 1.497 nan 8.290 nan 0.000 0.478 262 A N 1.002 123.830 122.820 0.013 0.000 2.380 262 A HA 0.699 5.019 4.320 -0.001 0.000 0.315 262 A C -0.082 177.626 177.584 0.207 0.000 1.101 262 A CA -0.658 51.392 52.037 0.021 0.000 0.771 262 A CB 1.196 20.172 19.000 -0.041 0.000 1.287 262 A HN 0.633 nan 8.150 nan 0.000 0.436 263 Y N -0.330 119.992 120.300 0.037 0.000 2.301 263 Y HA 0.137 4.687 4.550 -0.001 0.000 0.295 263 Y C 0.578 176.603 175.900 0.209 0.000 1.119 263 Y CA 0.188 58.356 58.100 0.114 0.000 1.162 263 Y CB 0.272 38.806 38.460 0.124 0.000 1.046 263 Y HN 0.669 nan 8.280 nan 0.000 0.538 264 W N 1.694 123.092 121.300 0.163 0.000 3.211 264 W HA 0.311 4.971 4.660 -0.001 0.000 0.335 264 W C -3.205 173.326 176.519 0.019 0.000 1.113 264 W CA -2.124 55.272 57.345 0.084 0.000 1.235 264 W CB 2.213 31.715 29.460 0.071 0.000 1.365 264 W HN -0.153 nan 8.180 nan 0.000 0.476 265 P HA 0.199 nan 4.420 nan 0.000 0.274 265 P C -2.564 174.395 177.300 -0.569 0.000 1.256 265 P CA -1.040 61.260 63.100 -1.334 0.000 0.795 265 P CB 0.344 31.524 31.700 -0.867 0.000 1.038 266 P HA 0.097 nan 4.420 nan 0.000 0.268 266 P C -0.807 176.407 177.300 -0.143 0.000 1.485 266 P CA 0.456 63.459 63.100 -0.162 0.000 1.102 266 P CB -0.355 31.290 31.700 -0.093 0.000 1.501 267 Q N 2.697 122.440 119.800 -0.094 0.000 2.702 267 Q HA 0.481 4.821 4.340 -0.001 0.000 0.289 267 Q C -1.640 174.349 176.000 -0.018 0.000 0.923 267 Q CA -1.091 54.644 55.803 -0.113 0.000 0.787 267 Q CB 1.136 29.765 28.738 -0.181 0.000 1.476 267 Q HN 0.292 nan 8.270 nan 0.000 0.402 268 Y N -1.669 118.573 120.300 -0.096 0.000 2.536 268 Y HA 0.875 5.425 4.550 -0.001 0.000 0.347 268 Y C -1.435 174.389 175.900 -0.127 0.000 1.000 268 Y CA -1.218 56.810 58.100 -0.120 0.000 1.051 268 Y CB 1.902 40.283 38.460 -0.132 0.000 1.259 268 Y HN 0.449 nan 8.280 nan 0.000 0.468 269 V N 4.017 123.955 119.914 0.040 0.000 2.686 269 V HA 0.402 4.521 4.120 -0.001 0.000 0.306 269 V C -0.425 175.634 176.094 -0.058 0.000 1.065 269 V CA -0.938 61.328 62.300 -0.057 0.000 0.894 269 V CB 1.774 33.547 31.823 -0.084 0.000 1.004 269 V HN 0.783 nan 8.190 nan 0.000 0.424 270 I N 5.316 125.849 120.570 -0.062 0.000 2.331 270 I HA 0.484 4.654 4.170 -0.001 0.000 0.292 270 I C -0.107 175.958 176.117 -0.087 0.000 0.998 270 I CA 0.016 61.259 61.300 -0.095 0.000 1.267 270 I CB 1.306 39.250 38.000 -0.094 0.000 1.386 270 I HN 0.495 nan 8.210 nan 0.000 0.476 271 M N 4.729 124.295 119.600 -0.057 0.000 2.598 271 M HA 0.316 4.795 4.480 -0.001 0.000 0.317 271 M C -0.243 176.120 176.300 0.105 0.000 1.179 271 M CA -0.775 54.501 55.300 -0.040 0.000 0.936 271 M CB 1.713 34.256 32.600 -0.095 0.000 1.713 271 M HN 0.444 nan 8.290 nan 0.000 0.460 272 D N 1.139 121.564 120.400 0.041 0.000 2.450 272 D HA 0.007 4.647 4.640 -0.001 0.000 0.247 272 D C 0.874 177.162 176.300 -0.019 0.000 1.162 272 D CA 0.388 54.400 54.000 0.020 0.000 0.879 272 D CB 1.360 42.143 40.800 -0.029 0.000 1.163 272 D HN 0.863 nan 8.370 nan 0.000 0.472 273 G N 3.425 112.171 108.800 -0.089 0.000 2.625 273 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.214 273 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.214 273 G C 1.181 176.041 174.900 -0.067 0.000 1.132 273 G CA 0.349 45.426 45.100 -0.037 0.000 0.782 273 G HN 0.620 nan 8.290 nan 0.000 0.538 274 E N -1.053 119.070 120.200 -0.129 0.000 2.399 274 E HA 0.011 4.360 4.350 -0.001 0.000 0.205 274 E C 2.263 178.770 176.600 -0.155 0.000 0.906 274 E CA 0.983 57.242 56.400 -0.236 0.000 0.998 274 E CB 0.556 30.175 29.700 -0.135 0.000 1.002 274 E HN 0.490 nan 8.360 nan 0.000 0.501 275 T N -2.351 112.198 114.554 -0.010 0.000 2.975 275 T HA 0.237 4.587 4.350 -0.001 0.000 0.261 275 T C 1.088 175.952 174.700 0.274 0.000 0.984 275 T CA -0.294 61.894 62.100 0.147 0.000 0.911 275 T CB 0.454 69.493 68.868 0.284 0.000 1.127 275 T HN 0.108 nan 8.240 nan 0.000 0.514 276 L N 0.272 121.551 121.223 0.095 0.000 4.800 276 L HA -0.151 4.189 4.340 -0.001 0.000 0.412 276 L C 0.337 176.970 176.870 -0.394 0.000 1.063 276 L CA 0.493 55.334 54.840 0.001 0.000 1.114 276 L CB -1.689 40.451 42.059 0.134 0.000 2.089 276 L HN 0.567 nan 8.230 nan 0.000 0.686 277 E N 3.735 123.615 120.200 -0.533 0.000 2.480 277 E HA 0.051 4.400 4.350 -0.001 0.000 0.258 277 E C -1.896 174.316 176.600 -0.646 0.000 0.984 277 E CA -1.278 54.414 56.400 -1.179 0.000 0.930 277 E CB 0.689 29.947 29.700 -0.737 0.000 0.936 277 E HN 0.083 nan 8.360 nan 0.000 0.466 278 P HA 0.006 nan 4.420 nan 0.000 0.276 278 P C -0.551 176.606 177.300 -0.237 0.000 1.253 278 P CA -0.095 62.806 63.100 -0.333 0.000 0.766 278 P CB 1.158 32.690 31.700 -0.280 0.000 0.845 279 K N 1.980 122.290 120.400 -0.151 0.000 2.262 279 K HA 0.156 4.475 4.320 -0.001 0.000 0.200 279 K C 0.542 177.084 176.600 -0.096 0.000 1.058 279 K CA 0.847 57.077 56.287 -0.096 0.000 0.974 279 K CB 0.226 32.711 32.500 -0.025 0.000 0.910 279 K HN 0.292 nan 8.250 nan 0.000 0.484 280 K N 0.709 121.042 120.400 -0.111 0.000 2.553 280 K HA 0.432 4.751 4.320 -0.001 0.000 0.250 280 K C -1.567 174.938 176.600 -0.158 0.000 0.953 280 K CA -0.126 56.088 56.287 -0.121 0.000 0.800 280 K CB 1.171 33.607 32.500 -0.106 0.000 1.243 280 K HN -0.106 nan 8.250 nan 0.000 0.435 281 I N 3.881 124.340 120.570 -0.184 0.000 2.378 281 I HA 0.393 4.563 4.170 -0.001 0.000 0.291 281 I C -0.412 175.505 176.117 -0.333 0.000 0.992 281 I CA -0.885 60.270 61.300 -0.242 0.000 1.154 281 I CB 1.781 39.678 38.000 -0.172 0.000 1.315 281 I HN 0.302 nan 8.210 nan 0.000 0.448 282 Q N 4.287 123.739 119.800 -0.581 0.000 2.325 282 Q HA 0.333 4.672 4.340 -0.001 0.000 0.270 282 Q C -0.574 175.127 176.000 -0.499 0.000 1.020 282 Q CA -0.456 54.972 55.803 -0.625 0.000 0.785 282 Q CB 2.496 30.602 28.738 -1.054 0.000 1.259 282 Q HN 0.687 nan 8.270 nan 0.000 0.452 283 S N 0.942 116.484 115.700 -0.263 0.000 2.565 283 S HA 0.201 4.670 4.470 -0.001 0.000 0.276 283 S C 0.922 175.466 174.600 -0.093 0.000 1.326 283 S CA 0.101 58.205 58.200 -0.160 0.000 1.045 283 S CB 0.470 63.614 63.200 -0.094 0.000 0.918 283 S HN 0.652 nan 8.310 nan 0.000 0.505 284 T N 1.913 116.441 114.554 -0.043 0.000 3.054 284 T HA 0.312 4.661 4.350 -0.001 0.000 0.255 284 T C 0.542 175.249 174.700 0.011 0.000 1.035 284 T CA -0.349 61.762 62.100 0.018 0.000 0.941 284 T CB -0.123 68.776 68.868 0.052 0.000 1.026 284 T HN 0.573 nan 8.240 nan 0.000 0.533 285 R N 1.135 121.646 120.500 0.018 0.000 2.570 285 R HA 0.529 4.868 4.340 -0.001 0.000 0.277 285 R C 0.748 177.105 176.300 0.093 0.000 1.039 285 R CA 0.748 56.874 56.100 0.044 0.000 1.065 285 R CB 0.392 30.777 30.300 0.142 0.000 0.964 285 R HN 0.563 nan 8.270 nan 0.000 0.428 286 G N 1.536 110.345 108.800 0.015 0.000 2.335 286 G HA2 0.176 4.136 3.960 -0.001 0.000 0.291 286 G HA3 0.176 4.136 3.960 -0.001 0.000 0.291 286 G C -1.457 173.477 174.900 0.057 0.000 1.261 286 G CA -0.932 44.242 45.100 0.123 0.000 0.871 286 G HN 0.233 nan 8.290 nan 0.000 0.491 287 M N 1.905 121.568 119.600 0.104 0.000 2.277 287 M HA 0.388 4.867 4.480 -0.001 0.000 0.350 287 M C 0.929 177.252 176.300 0.039 0.000 1.180 287 M CA -0.623 54.727 55.300 0.083 0.000 1.103 287 M CB 0.514 33.168 32.600 0.090 0.000 1.577 287 M HN 0.791 nan 8.290 nan 0.000 0.459 288 T N -0.115 114.451 114.554 0.020 0.000 2.918 288 T HA 0.124 4.474 4.350 -0.001 0.000 0.302 288 T C 1.031 175.717 174.700 -0.023 0.000 1.045 288 T CA -0.392 61.702 62.100 -0.010 0.000 1.114 288 T CB 0.280 69.120 68.868 -0.047 0.000 0.965 288 T HN 0.680 nan 8.240 nan 0.000 0.540 289 Y N 2.121 122.387 120.300 -0.057 0.000 2.224 289 Y HA -0.098 4.451 4.550 -0.001 0.000 0.289 289 Y C 1.685 177.565 175.900 -0.033 0.000 1.146 289 Y CA 1.680 59.754 58.100 -0.045 0.000 1.182 289 Y CB -0.621 37.803 38.460 -0.059 0.000 0.983 289 Y HN 0.705 nan 8.280 nan 0.000 0.524 290 D N -0.012 119.669 120.400 -1.197 0.000 2.320 290 D HA -0.111 4.528 4.640 -0.001 0.000 0.228 290 D C 1.477 177.559 176.300 -0.364 0.000 0.978 290 D CA 1.380 54.853 54.000 -0.878 0.000 0.905 290 D CB -0.910 39.260 40.800 -1.050 0.000 1.051 290 D HN 0.584 nan 8.370 nan 0.000 0.471 291 E N 0.154 120.188 120.200 -0.277 0.000 2.435 291 E HA 0.000 4.350 4.350 -0.001 0.000 0.195 291 E C -0.128 176.421 176.600 -0.086 0.000 1.029 291 E CA -0.010 56.309 56.400 -0.136 0.000 0.865 291 E CB -0.099 29.546 29.700 -0.091 0.000 0.833 291 E HN 0.273 nan 8.360 nan 0.000 0.510 292 Q N 1.074 120.818 119.800 -0.093 0.000 2.447 292 Q HA -0.224 4.116 4.340 -0.001 0.000 0.348 292 Q C -0.471 175.535 176.000 0.009 0.000 1.421 292 Q CA 0.700 56.485 55.803 -0.031 0.000 0.978 292 Q CB -1.451 27.274 28.738 -0.021 0.000 1.191 292 Q HN 0.376 nan 8.270 nan 0.000 0.371 293 E N 0.653 120.866 120.200 0.021 0.000 2.238 293 E HA 0.338 4.688 4.350 -0.001 0.000 0.267 293 E C -1.127 175.533 176.600 0.100 0.000 0.887 293 E CA -0.920 55.515 56.400 0.058 0.000 0.769 293 E CB 1.136 30.854 29.700 0.031 0.000 1.187 293 E HN 0.251 nan 8.360 nan 0.000 0.416 294 Y N 3.866 124.182 120.300 0.026 0.000 2.620 294 Y HA 0.047 4.596 4.550 -0.001 0.000 0.330 294 Y C -0.809 175.129 175.900 0.063 0.000 1.186 294 Y CA 0.410 58.537 58.100 0.046 0.000 1.467 294 Y CB 0.359 38.835 38.460 0.027 0.000 1.262 294 Y HN 0.454 nan 8.280 nan 0.000 0.550 295 H N 8.876 127.473 119.070 -0.788 0.000 2.646 295 H HA 0.284 4.839 4.556 -0.001 0.000 0.328 295 H C -2.208 172.622 175.328 -0.831 0.000 0.998 295 H CA -2.463 53.250 56.048 -0.558 0.000 1.225 295 H CB 2.283 31.887 29.762 -0.264 0.000 1.457 295 H HN 0.503 nan 8.280 nan 0.000 0.505 296 P HA 0.038 nan 4.420 nan 0.000 0.249 296 P C 0.102 177.513 177.300 0.184 0.000 1.229 296 P CA 0.551 63.596 63.100 -0.090 0.000 0.788 296 P CB 0.767 32.531 31.700 0.106 0.000 1.072 297 E N 0.543 120.959 120.200 0.360 0.000 3.832 297 E HA 0.277 4.627 4.350 -0.001 0.000 0.250 297 E C -2.753 173.975 176.600 0.213 0.000 1.215 297 E CA -1.814 54.808 56.400 0.369 0.000 1.179 297 E CB 0.970 30.926 29.700 0.426 0.000 1.270 297 E HN 0.052 nan 8.360 nan 0.000 0.405 298 P HA 0.217 nan 4.420 nan 0.000 0.288 298 P C -0.870 176.409 177.300 -0.035 0.000 1.363 298 P CA -0.304 62.707 63.100 -0.148 0.000 0.837 298 P CB 0.392 31.995 31.700 -0.162 0.000 0.981 299 R N 1.850 122.325 120.500 -0.041 0.000 2.590 299 R HA 0.261 4.601 4.340 -0.001 0.000 0.274 299 R C -0.130 176.223 176.300 0.089 0.000 1.061 299 R CA -0.568 55.538 56.100 0.011 0.000 1.081 299 R CB 0.409 30.550 30.300 -0.265 0.000 0.984 299 R HN 0.222 nan 8.270 nan 0.000 0.448 300 V N 3.352 123.381 119.914 0.192 0.000 2.432 300 V HA 0.234 4.354 4.120 -0.001 0.000 0.271 300 V C 0.715 176.945 176.094 0.226 0.000 1.046 300 V CA 0.152 62.542 62.300 0.150 0.000 0.945 300 V CB 0.861 32.750 31.823 0.110 0.000 0.992 300 V HN 1.005 nan 8.190 nan 0.000 0.471 301 A N 5.046 127.958 122.820 0.153 0.000 3.711 301 A HA 0.886 5.205 4.320 -0.001 0.000 0.185 301 A C 0.956 178.551 177.584 0.018 0.000 1.697 301 A CA 0.229 52.358 52.037 0.153 0.000 1.787 301 A CB -0.464 18.629 19.000 0.155 0.000 1.545 301 A HN 1.070 nan 8.150 nan 0.000 0.553 302 A N -0.570 122.229 122.820 -0.035 0.000 2.483 302 A HA 0.508 4.827 4.320 -0.001 0.000 0.238 302 A C -0.330 177.213 177.584 -0.068 0.000 1.070 302 A CA 0.388 52.401 52.037 -0.041 0.000 0.770 302 A CB -0.523 18.485 19.000 0.014 0.000 1.008 302 A HN 0.509 nan 8.150 nan 0.000 0.497 303 I N 2.015 122.513 120.570 -0.120 0.000 2.499 303 I HA 0.362 4.532 4.170 -0.001 0.000 0.288 303 I C -0.914 175.092 176.117 -0.185 0.000 1.048 303 I CA -0.374 60.805 61.300 -0.202 0.000 1.062 303 I CB 1.689 39.529 38.000 -0.266 0.000 1.238 303 I HN 0.463 nan 8.210 nan 0.000 0.426 304 L N 4.887 125.970 121.223 -0.234 0.000 2.235 304 L HA 0.894 5.233 4.340 -0.001 0.000 0.260 304 L C -0.216 176.615 176.870 -0.065 0.000 1.025 304 L CA -0.533 54.210 54.840 -0.161 0.000 0.836 304 L CB 1.811 43.718 42.059 -0.253 0.000 1.395 304 L HN 0.646 nan 8.230 nan 0.000 0.443 305 A N -0.034 122.780 122.820 -0.011 0.000 2.356 305 A HA 0.673 4.992 4.320 -0.001 0.000 0.310 305 A C -0.585 176.947 177.584 -0.086 0.000 1.075 305 A CA -0.457 51.589 52.037 0.015 0.000 0.746 305 A CB 1.451 20.476 19.000 0.041 0.000 1.221 305 A HN 0.493 nan 8.150 nan 0.000 0.443 306 S N 0.429 116.057 115.700 -0.120 0.000 2.562 306 S HA 0.176 4.645 4.470 -0.001 0.000 0.281 306 S C 0.576 175.116 174.600 -0.099 0.000 1.333 306 S CA -0.141 58.020 58.200 -0.065 0.000 1.052 306 S CB 0.030 63.160 63.200 -0.118 0.000 0.884 306 S HN 0.712 nan 8.310 nan 0.000 0.506 307 H N 3.194 122.279 119.070 0.024 0.000 2.705 307 H HA 0.118 4.674 4.556 -0.001 0.000 0.269 307 H C 0.230 175.529 175.328 -0.048 0.000 0.998 307 H CA 0.390 56.439 56.048 0.001 0.000 1.193 307 H CB 0.365 30.141 29.762 0.022 0.000 1.485 307 H HN 0.705 nan 8.280 nan 0.000 0.521 308 Y N 0.433 120.742 120.300 0.014 0.000 2.524 308 Y HA 0.233 4.782 4.550 -0.001 0.000 0.270 308 Y C 0.779 176.630 175.900 -0.083 0.000 1.094 308 Y CA 0.325 58.407 58.100 -0.030 0.000 1.276 308 Y CB 0.876 39.300 38.460 -0.059 0.000 1.130 308 Y HN -0.137 nan 8.280 nan 0.000 0.536 309 R N -0.109 120.381 120.500 -0.016 0.000 2.774 309 R HA 0.294 4.633 4.340 -0.001 0.000 0.272 309 R C -2.799 173.286 176.300 -0.359 0.000 1.000 309 R CA -2.036 53.968 56.100 -0.160 0.000 0.906 309 R CB 1.576 31.774 30.300 -0.170 0.000 1.227 309 R HN -0.300 nan 8.270 nan 0.000 0.468 310 P HA 0.094 nan 4.420 nan 0.000 0.237 310 P C -1.180 175.092 177.300 -1.713 0.000 1.788 310 P CA 0.337 62.690 63.100 -1.245 0.000 1.061 310 P CB 0.156 30.966 31.700 -1.485 0.000 1.967 311 E N 0.775 120.339 120.200 -1.060 0.000 2.393 311 E HA 0.518 4.868 4.350 -0.001 0.000 0.273 311 E C -0.921 175.408 176.600 -0.450 0.000 0.918 311 E CA -0.797 55.152 56.400 -0.751 0.000 0.773 311 E CB 1.379 30.821 29.700 -0.430 0.000 1.275 311 E HN 0.054 nan 8.360 nan 0.000 0.451 312 F N 1.066 120.931 119.950 -0.141 0.000 2.425 312 F HA 0.474 5.000 4.527 -0.001 0.000 0.331 312 F C 0.157 175.793 175.800 -0.273 0.000 1.085 312 F CA -0.766 57.134 58.000 -0.167 0.000 1.028 312 F CB 0.922 39.812 39.000 -0.183 0.000 1.177 312 F HN 0.228 nan 8.300 nan 0.000 0.487 313 I N 3.456 123.959 120.570 -0.113 0.000 2.359 313 I HA 0.358 4.528 4.170 -0.001 0.000 0.284 313 I C -1.125 174.792 176.117 -0.334 0.000 1.018 313 I CA -0.633 60.479 61.300 -0.314 0.000 1.173 313 I CB 1.159 38.816 38.000 -0.572 0.000 1.326 313 I HN 0.113 nan 8.210 nan 0.000 0.462 314 V N 5.631 125.372 119.914 -0.288 0.000 2.384 314 V HA 0.346 4.465 4.120 -0.001 0.000 0.287 314 V C -0.051 175.958 176.094 -0.142 0.000 1.020 314 V CA -0.795 61.342 62.300 -0.273 0.000 0.850 314 V CB 1.551 33.107 31.823 -0.445 0.000 0.987 314 V HN 0.579 nan 8.190 nan 0.000 0.436 315 N N 3.085 121.746 118.700 -0.065 0.000 2.444 315 N HA 0.415 5.155 4.740 -0.001 0.000 0.271 315 N C -0.635 174.880 175.510 0.009 0.000 1.069 315 N CA -0.136 52.927 53.050 0.021 0.000 0.965 315 N CB 1.837 40.378 38.487 0.089 0.000 1.092 315 N HN 0.446 nan 8.380 nan 0.000 0.476 316 V N 3.796 123.709 119.914 -0.001 0.000 2.293 316 V HA 0.173 4.292 4.120 -0.001 0.000 0.275 316 V C 1.543 177.618 176.094 -0.032 0.000 1.021 316 V CA -0.713 61.583 62.300 -0.007 0.000 0.815 316 V CB 1.223 33.038 31.823 -0.013 0.000 1.025 316 V HN 0.679 nan 8.190 nan 0.000 0.448 317 K N 3.476 123.870 120.400 -0.010 0.000 1.980 317 K HA -0.240 4.079 4.320 -0.001 0.000 0.223 317 K C 1.671 178.196 176.600 -0.125 0.000 1.052 317 K CA 2.486 58.766 56.287 -0.010 0.000 0.974 317 K CB 0.129 32.658 32.500 0.049 0.000 0.734 317 K HN 0.700 nan 8.250 nan 0.000 0.447 318 E N -0.467 119.608 120.200 -0.209 0.000 2.204 318 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 318 E C 1.758 178.114 176.600 -0.407 0.000 0.990 318 E CA 1.797 57.968 56.400 -0.382 0.000 0.821 318 E CB -0.051 29.252 29.700 -0.662 0.000 0.750 318 E HN 0.634 nan 8.360 nan 0.000 0.477 319 T N -3.694 110.686 114.554 -0.289 0.000 3.065 319 T HA 0.233 4.583 4.350 -0.001 0.000 0.252 319 T C 1.525 176.212 174.700 -0.021 0.000 1.099 319 T CA 0.174 62.189 62.100 -0.142 0.000 1.063 319 T CB 0.244 69.055 68.868 -0.094 0.000 0.948 319 T HN 0.216 nan 8.240 nan 0.000 0.506 320 G N 2.190 110.938 108.800 -0.087 0.000 2.272 320 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.280 320 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.280 320 G C -0.306 174.523 174.900 -0.119 0.000 1.067 320 G CA -0.209 44.835 45.100 -0.094 0.000 0.902 320 G HN 0.552 nan 8.290 nan 0.000 0.500 321 K N -0.274 120.084 120.400 -0.070 0.000 2.259 321 K HA 0.670 4.990 4.320 -0.001 0.000 0.252 321 K C 0.064 176.635 176.600 -0.048 0.000 0.936 321 K CA -0.849 55.404 56.287 -0.056 0.000 0.810 321 K CB 2.259 34.751 32.500 -0.014 0.000 1.143 321 K HN 0.237 nan 8.250 nan 0.000 0.427 322 I N 3.958 124.498 120.570 -0.049 0.000 2.362 322 I HA 0.314 4.483 4.170 -0.001 0.000 0.289 322 I C -0.342 175.745 176.117 -0.050 0.000 0.994 322 I CA -0.816 60.469 61.300 -0.024 0.000 1.158 322 I CB 1.075 39.093 38.000 0.029 0.000 1.315 322 I HN 0.226 nan 8.210 nan 0.000 0.451 323 L N 7.033 128.209 121.223 -0.079 0.000 2.295 323 L HA 0.536 4.876 4.340 -0.001 0.000 0.285 323 L C -0.600 176.191 176.870 -0.132 0.000 1.035 323 L CA -0.657 54.129 54.840 -0.090 0.000 0.806 323 L CB 1.262 43.271 42.059 -0.083 0.000 1.214 323 L HN 0.418 nan 8.230 nan 0.000 0.426 324 L N 4.589 125.745 121.223 -0.113 0.000 2.277 324 L HA 0.425 4.765 4.340 -0.001 0.000 0.284 324 L C -0.571 176.221 176.870 -0.130 0.000 1.028 324 L CA -0.637 54.120 54.840 -0.138 0.000 0.835 324 L CB 1.614 43.592 42.059 -0.134 0.000 1.215 324 L HN 0.338 nan 8.230 nan 0.000 0.425 325 V N 2.051 121.887 119.914 -0.130 0.000 2.333 325 V HA 0.164 4.284 4.120 -0.001 0.000 0.274 325 V C 0.102 176.077 176.094 -0.197 0.000 1.028 325 V CA -0.620 61.625 62.300 -0.092 0.000 0.851 325 V CB 1.575 33.395 31.823 -0.005 0.000 1.000 325 V HN 0.597 nan 8.190 nan 0.000 0.456 326 D N 4.401 124.652 120.400 -0.247 0.000 2.325 326 D HA 0.078 4.717 4.640 -0.001 0.000 0.251 326 D C 0.330 176.393 176.300 -0.395 0.000 1.196 326 D CA -0.277 53.467 54.000 -0.427 0.000 0.866 326 D CB 1.162 41.772 40.800 -0.317 0.000 1.101 326 D HN 0.663 nan 8.370 nan 0.000 0.476 327 Y N 1.155 121.164 120.300 -0.484 0.000 2.470 327 Y HA 0.136 4.686 4.550 -0.001 0.000 0.284 327 Y C 1.881 177.485 175.900 -0.494 0.000 1.188 327 Y CA 0.005 57.785 58.100 -0.533 0.000 1.269 327 Y CB -0.729 37.309 38.460 -0.702 0.000 1.094 327 Y HN 0.224 nan 8.280 nan 0.000 0.518 328 T N -3.494 110.808 114.554 -0.420 0.000 3.023 328 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 328 T C 0.161 174.888 174.700 0.044 0.000 1.093 328 T CA 0.949 62.936 62.100 -0.189 0.000 1.129 328 T CB -0.022 68.753 68.868 -0.154 0.000 0.899 328 T HN 0.307 nan 8.240 nan 0.000 0.491 329 D N -0.082 120.299 120.400 -0.032 0.000 2.478 329 D HA 0.275 4.915 4.640 -0.001 0.000 0.240 329 D C 0.476 176.757 176.300 -0.031 0.000 1.364 329 D CA -0.481 53.522 54.000 0.004 0.000 0.987 329 D CB 1.062 41.860 40.800 -0.002 0.000 1.328 329 D HN 0.159 nan 8.370 nan 0.000 0.584 330 L N 2.599 123.810 121.223 -0.019 0.000 2.509 330 L HA 0.168 4.508 4.340 -0.001 0.000 0.222 330 L C 1.507 178.358 176.870 -0.032 0.000 1.123 330 L CA 0.369 55.181 54.840 -0.046 0.000 0.856 330 L CB -0.043 41.977 42.059 -0.065 0.000 0.985 330 L HN 0.246 nan 8.230 nan 0.000 0.456 331 N N -0.264 118.427 118.700 -0.015 0.000 2.278 331 N HA -0.003 4.736 4.740 -0.001 0.000 0.181 331 N C 0.391 175.889 175.510 -0.020 0.000 1.023 331 N CA 0.429 53.470 53.050 -0.016 0.000 0.862 331 N CB 0.308 38.794 38.487 -0.003 0.000 1.003 331 N HN 0.201 nan 8.380 nan 0.000 0.431 332 N N 1.688 120.377 118.700 -0.018 0.000 3.091 332 N HA 0.117 4.857 4.740 -0.001 0.000 0.255 332 N C -1.267 174.223 175.510 -0.032 0.000 1.204 332 N CA -0.222 52.815 53.050 -0.022 0.000 0.990 332 N CB 1.040 39.517 38.487 -0.016 0.000 1.260 332 N HN 0.125 nan 8.380 nan 0.000 0.502 333 L N 1.874 123.076 121.223 -0.036 0.000 2.456 333 L HA 0.107 4.447 4.340 -0.001 0.000 0.277 333 L C 0.159 177.002 176.870 -0.045 0.000 1.124 333 L CA 0.211 55.024 54.840 -0.044 0.000 0.880 333 L CB 0.055 42.092 42.059 -0.037 0.000 1.192 333 L HN 0.085 nan 8.230 nan 0.000 0.463 334 K N 3.707 124.068 120.400 -0.064 0.000 2.201 334 K HA 0.562 4.882 4.320 -0.001 0.000 0.278 334 K C -0.243 176.314 176.600 -0.072 0.000 1.027 334 K CA -0.413 55.833 56.287 -0.068 0.000 0.909 334 K CB 1.114 33.563 32.500 -0.085 0.000 1.062 334 K HN 0.727 nan 8.250 nan 0.000 0.465 335 T N -1.358 113.165 114.554 -0.052 0.000 2.883 335 T HA 0.399 4.748 4.350 -0.001 0.000 0.301 335 T C -0.506 174.165 174.700 -0.048 0.000 1.158 335 T CA -0.841 61.231 62.100 -0.047 0.000 1.007 335 T CB 1.794 70.658 68.868 -0.005 0.000 1.186 335 T HN 0.273 nan 8.240 nan 0.000 0.499 336 T N 1.917 116.437 114.554 -0.056 0.000 2.815 336 T HA 0.440 4.790 4.350 -0.001 0.000 0.289 336 T C -0.676 173.999 174.700 -0.042 0.000 1.000 336 T CA -0.590 61.480 62.100 -0.051 0.000 0.958 336 T CB 1.246 70.075 68.868 -0.066 0.000 0.944 336 T HN 0.794 nan 8.240 nan 0.000 0.442 337 E N 4.531 124.715 120.200 -0.026 0.000 2.014 337 E HA 0.312 4.661 4.350 -0.001 0.000 0.275 337 E C -0.660 175.926 176.600 -0.024 0.000 0.997 337 E CA -0.453 55.937 56.400 -0.017 0.000 0.804 337 E CB 0.356 30.057 29.700 0.002 0.000 1.090 337 E HN 0.582 nan 8.360 nan 0.000 0.401 338 I N 3.512 124.058 120.570 -0.039 0.000 2.325 338 I HA 0.096 4.265 4.170 -0.001 0.000 0.291 338 I C 0.233 176.305 176.117 -0.074 0.000 1.019 338 I CA -0.461 60.806 61.300 -0.055 0.000 1.302 338 I CB 1.568 39.527 38.000 -0.068 0.000 1.401 338 I HN 0.380 nan 8.210 nan 0.000 0.485 339 S N 5.201 120.864 115.700 -0.063 0.000 2.488 339 S HA 0.403 4.872 4.470 -0.001 0.000 0.278 339 S C 0.559 174.976 174.600 -0.306 0.000 1.259 339 S CA -0.259 57.884 58.200 -0.096 0.000 1.061 339 S CB 1.080 64.324 63.200 0.072 0.000 0.910 339 S HN 0.792 nan 8.310 nan 0.000 0.491 340 A N 3.536 126.017 122.820 -0.564 0.000 2.611 340 A HA 0.817 5.137 4.320 -0.001 0.000 0.208 340 A C -0.155 176.837 177.584 -0.986 0.000 1.958 340 A CA -0.185 51.507 52.037 -0.574 0.000 1.718 340 A CB 0.129 18.929 19.000 -0.333 0.000 1.357 340 A HN 0.592 nan 8.150 nan 0.000 0.428 341 E N -0.246 119.545 120.200 -0.681 0.000 2.366 341 E HA 0.504 4.854 4.350 -0.001 0.000 0.278 341 E C -1.084 175.387 176.600 -0.215 0.000 0.923 341 E CA -0.512 55.615 56.400 -0.455 0.000 0.761 341 E CB 1.243 30.835 29.700 -0.180 0.000 1.231 341 E HN 0.442 nan 8.360 nan 0.000 0.443 342 R N 2.124 122.585 120.500 -0.066 0.000 2.738 342 R HA 0.316 4.655 4.340 -0.001 0.000 0.268 342 R C -0.333 175.746 176.300 -0.369 0.000 1.062 342 R CA 0.142 56.005 56.100 -0.395 0.000 1.158 342 R CB 0.078 29.887 30.300 -0.819 0.000 1.046 342 R HN 0.652 nan 8.270 nan 0.000 0.493 343 F N -1.478 118.496 119.950 0.040 0.000 3.023 343 F HA -0.199 4.328 4.527 -0.001 0.000 0.297 343 F C -0.143 175.692 175.800 0.059 0.000 0.858 343 F CA -0.230 57.794 58.000 0.040 0.000 1.222 343 F CB -2.219 36.807 39.000 0.043 0.000 1.263 343 F HN 0.390 nan 8.300 nan 0.000 0.565 344 L N 0.365 121.659 121.223 0.120 0.000 2.453 344 L HA 0.237 4.576 4.340 -0.001 0.000 0.272 344 L C 1.381 178.380 176.870 0.215 0.000 1.182 344 L CA 0.451 55.357 54.840 0.110 0.000 0.858 344 L CB 0.716 42.798 42.059 0.039 0.000 1.120 344 L HN 0.368 nan 8.230 nan 0.000 0.474 345 H N 0.911 120.035 119.070 0.089 0.000 4.643 345 H HA 0.210 4.765 4.556 -0.001 0.000 0.109 345 H C -0.625 174.769 175.328 0.109 0.000 1.249 345 H CA 0.206 56.324 56.048 0.117 0.000 0.820 345 H CB 0.465 30.308 29.762 0.135 0.000 1.474 345 H HN 0.707 nan 8.280 nan 0.000 0.233 346 D N -0.103 120.242 120.400 -0.092 0.000 2.440 346 D HA 0.563 5.203 4.640 -0.001 0.000 0.258 346 D C 0.384 176.704 176.300 0.033 0.000 1.092 346 D CA -0.303 53.640 54.000 -0.095 0.000 1.016 346 D CB 1.812 42.518 40.800 -0.157 0.000 1.141 346 D HN 0.716 nan 8.370 nan 0.000 0.552 347 G N -2.653 106.224 108.800 0.129 0.000 2.322 347 G HA2 0.595 4.555 3.960 -0.001 0.000 0.295 347 G HA3 0.595 4.555 3.960 -0.001 0.000 0.295 347 G C -1.186 173.918 174.900 0.341 0.000 1.369 347 G CA -0.361 44.829 45.100 0.150 0.000 0.821 347 G HN 0.855 nan 8.290 nan 0.000 0.536 348 G N -1.439 107.573 108.800 0.353 0.000 2.682 348 G HA2 0.672 4.632 3.960 -0.001 0.000 0.290 348 G HA3 0.672 4.632 3.960 -0.001 0.000 0.290 348 G C -1.018 174.189 174.900 0.513 0.000 1.425 348 G CA -0.880 44.547 45.100 0.545 0.000 0.807 348 G HN 0.708 nan 8.290 nan 0.000 0.482 349 L N 1.311 122.917 121.223 0.638 0.000 2.399 349 L HA 0.315 4.654 4.340 -0.001 0.000 0.266 349 L C 0.787 177.885 176.870 0.380 0.000 1.114 349 L CA -1.038 54.047 54.840 0.407 0.000 0.804 349 L CB 0.981 43.229 42.059 0.316 0.000 1.146 349 L HN 0.765 nan 8.230 nan 0.000 0.451 350 D N 1.280 121.847 120.400 0.278 0.000 2.380 350 D HA -0.025 4.614 4.640 -0.001 0.000 0.254 350 D C 1.149 177.566 176.300 0.195 0.000 1.288 350 D CA 0.056 54.226 54.000 0.284 0.000 1.008 350 D CB 0.747 41.732 40.800 0.309 0.000 1.099 350 D HN 0.613 nan 8.370 nan 0.000 0.537 351 G N -0.762 108.110 108.800 0.121 0.000 2.450 351 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.220 351 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.220 351 G C 1.512 176.315 174.900 -0.161 0.000 1.130 351 G CA 1.353 46.430 45.100 -0.039 0.000 0.760 351 G HN 0.596 nan 8.290 nan 0.000 0.557 352 S N -1.189 114.505 115.700 -0.009 0.000 2.562 352 S HA 0.043 4.512 4.470 -0.001 0.000 0.221 352 S C 1.035 175.686 174.600 0.086 0.000 0.975 352 S CA 0.836 59.045 58.200 0.014 0.000 0.918 352 S CB -0.520 62.763 63.200 0.139 0.000 0.772 352 S HN 0.679 nan 8.310 nan 0.000 0.531 353 H N -0.405 118.687 119.070 0.038 0.000 3.080 353 H HA -0.167 4.388 4.556 -0.001 0.000 0.254 353 H C 1.396 176.786 175.328 0.104 0.000 1.179 353 H CA 0.866 56.907 56.048 -0.011 0.000 1.144 353 H CB -0.967 28.639 29.762 -0.260 0.000 1.261 353 H HN 0.505 nan 8.280 nan 0.000 0.333 354 R N 0.166 120.700 120.500 0.058 0.000 2.146 354 R HA 0.086 4.425 4.340 -0.001 0.000 0.206 354 R C -0.249 175.698 176.300 -0.588 0.000 1.049 354 R CA 0.525 56.293 56.100 -0.553 0.000 1.029 354 R CB 0.532 30.240 30.300 -0.986 0.000 0.949 354 R HN 0.153 nan 8.270 nan 0.000 0.471 355 Y N -0.168 120.130 120.300 -0.003 0.000 2.341 355 Y HA 0.282 4.832 4.550 -0.001 0.000 0.337 355 Y C -0.684 175.221 175.900 0.007 0.000 1.014 355 Y CA -1.314 56.760 58.100 -0.044 0.000 1.111 355 Y CB 1.174 39.614 38.460 -0.032 0.000 1.194 355 Y HN -0.083 nan 8.280 nan 0.000 0.462 356 F N 5.189 125.089 119.950 -0.083 0.000 2.405 356 F HA 0.592 5.118 4.527 -0.001 0.000 0.355 356 F C -0.873 174.772 175.800 -0.258 0.000 1.121 356 F CA -1.758 56.165 58.000 -0.128 0.000 1.112 356 F CB 0.170 39.102 39.000 -0.113 0.000 1.126 356 F HN 0.333 nan 8.300 nan 0.000 0.481 357 I N 5.981 126.097 120.570 -0.758 0.000 2.355 357 I HA 0.318 4.487 4.170 -0.001 0.000 0.288 357 I C -0.116 175.324 176.117 -1.128 0.000 0.999 357 I CA -0.423 60.264 61.300 -1.022 0.000 1.163 357 I CB 1.760 38.939 38.000 -1.369 0.000 1.316 357 I HN 0.570 nan 8.210 nan 0.000 0.454 358 T N 4.610 118.591 114.554 -0.954 0.000 2.900 358 T HA 0.736 5.085 4.350 -0.001 0.000 0.295 358 T C -0.820 173.705 174.700 -0.291 0.000 1.044 358 T CA -0.518 61.193 62.100 -0.649 0.000 0.995 358 T CB 1.559 69.914 68.868 -0.856 0.000 1.072 358 T HN 0.608 nan 8.240 nan 0.000 0.473 359 A N 2.513 125.275 122.820 -0.097 0.000 2.309 359 A HA 0.704 5.023 4.320 -0.001 0.000 0.290 359 A C 0.549 178.155 177.584 0.036 0.000 1.206 359 A CA -0.340 51.696 52.037 -0.002 0.000 0.850 359 A CB 0.011 19.044 19.000 0.055 0.000 1.118 359 A HN 1.147 nan 8.150 nan 0.000 0.523 360 A N 3.653 126.493 122.820 0.033 0.000 3.016 360 A HA 0.365 4.684 4.320 -0.001 0.000 0.303 360 A C 1.127 178.796 177.584 0.143 0.000 1.507 360 A CA -0.272 51.818 52.037 0.088 0.000 1.196 360 A CB -0.782 18.239 19.000 0.036 0.000 1.169 360 A HN 1.015 nan 8.150 nan 0.000 0.544 361 N N 2.421 121.217 118.700 0.160 0.000 2.061 361 N HA -0.249 4.490 4.740 -0.001 0.000 0.193 361 N C 1.414 176.992 175.510 0.113 0.000 1.030 361 N CA 2.270 55.401 53.050 0.134 0.000 0.856 361 N CB -0.512 38.055 38.487 0.133 0.000 1.023 361 N HN 0.474 nan 8.380 nan 0.000 0.424 362 A N -0.031 122.855 122.820 0.110 0.000 2.067 362 A HA 0.019 4.338 4.320 -0.001 0.000 0.219 362 A C 2.006 179.637 177.584 0.077 0.000 1.158 362 A CA 0.885 52.914 52.037 -0.014 0.000 0.661 362 A CB -0.342 18.428 19.000 -0.382 0.000 0.801 362 A HN 0.398 nan 8.150 nan 0.000 0.452 363 R N -0.701 119.908 120.500 0.181 0.000 2.468 363 R HA 0.096 4.436 4.340 -0.001 0.000 0.280 363 R C -0.336 176.030 176.300 0.111 0.000 0.963 363 R CA 0.057 56.253 56.100 0.160 0.000 1.083 363 R CB 0.160 30.588 30.300 0.212 0.000 1.200 363 R HN 0.452 nan 8.270 nan 0.000 0.541 364 N N 1.609 120.373 118.700 0.107 0.000 2.708 364 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 364 N C -0.875 174.691 175.510 0.094 0.000 1.097 364 N CA 1.335 54.451 53.050 0.109 0.000 0.710 364 N CB -0.639 37.904 38.487 0.093 0.000 1.032 364 N HN 0.216 nan 8.380 nan 0.000 0.551 365 K N 0.383 120.827 120.400 0.074 0.000 2.267 365 K HA 0.577 4.896 4.320 -0.001 0.000 0.246 365 K C 0.446 177.049 176.600 0.004 0.000 0.954 365 K CA -0.607 55.702 56.287 0.036 0.000 0.824 365 K CB 1.891 34.400 32.500 0.015 0.000 1.167 365 K HN 0.038 nan 8.250 nan 0.000 0.431 366 L N 1.739 122.944 121.223 -0.029 0.000 2.313 366 L HA 0.421 4.761 4.340 -0.001 0.000 0.283 366 L C -0.512 176.250 176.870 -0.180 0.000 1.013 366 L CA -1.186 53.594 54.840 -0.099 0.000 0.816 366 L CB 1.875 43.899 42.059 -0.057 0.000 1.236 366 L HN 0.131 nan 8.230 nan 0.000 0.419 367 V N 4.262 124.014 119.914 -0.269 0.000 2.427 367 V HA 0.421 4.540 4.120 -0.001 0.000 0.286 367 V C -0.029 175.803 176.094 -0.436 0.000 1.034 367 V CA -0.611 61.504 62.300 -0.309 0.000 0.893 367 V CB 2.130 33.782 31.823 -0.284 0.000 0.982 367 V HN 0.408 nan 8.190 nan 0.000 0.452 368 V N 5.926 125.568 119.914 -0.454 0.000 2.448 368 V HA 0.531 4.650 4.120 -0.001 0.000 0.295 368 V C -0.413 175.410 176.094 -0.452 0.000 1.025 368 V CA -0.529 61.411 62.300 -0.599 0.000 0.859 368 V CB 1.715 32.933 31.823 -1.009 0.000 0.988 368 V HN 0.568 nan 8.190 nan 0.000 0.431 369 I N 3.255 123.653 120.570 -0.286 0.000 2.474 369 I HA 0.405 4.575 4.170 -0.001 0.000 0.294 369 I C -0.272 175.807 176.117 -0.062 0.000 1.005 369 I CA -0.592 60.630 61.300 -0.131 0.000 1.113 369 I CB 1.884 39.890 38.000 0.010 0.000 1.289 369 I HN 0.594 nan 8.210 nan 0.000 0.436 370 D N 4.150 124.510 120.400 -0.066 0.000 2.365 370 D HA 0.092 4.732 4.640 -0.001 0.000 0.237 370 D C 1.287 177.455 176.300 -0.219 0.000 1.190 370 D CA -0.094 53.824 54.000 -0.136 0.000 0.867 370 D CB 1.171 41.952 40.800 -0.032 0.000 1.050 370 D HN 0.697 nan 8.370 nan 0.000 0.491 371 T N 1.149 115.521 114.554 -0.303 0.000 3.035 371 T HA -0.108 4.242 4.350 -0.001 0.000 0.268 371 T C 1.588 176.145 174.700 -0.237 0.000 1.109 371 T CA 0.788 62.752 62.100 -0.227 0.000 1.119 371 T CB 0.110 68.876 68.868 -0.169 0.000 0.900 371 T HN 0.371 nan 8.240 nan 0.000 0.503 372 K N 0.680 120.855 120.400 -0.374 0.000 2.044 372 K HA -0.031 4.289 4.320 -0.001 0.000 0.204 372 K C 2.039 178.561 176.600 -0.131 0.000 1.049 372 K CA 1.080 57.220 56.287 -0.245 0.000 0.945 372 K CB 0.105 32.389 32.500 -0.360 0.000 0.724 372 K HN 0.177 nan 8.250 nan 0.000 0.440 373 E N -0.430 119.687 120.200 -0.137 0.000 2.442 373 E HA 0.041 4.391 4.350 -0.001 0.000 0.195 373 E C 0.609 177.161 176.600 -0.079 0.000 1.030 373 E CA 0.753 57.105 56.400 -0.080 0.000 0.869 373 E CB 0.562 30.230 29.700 -0.053 0.000 0.857 373 E HN 0.577 nan 8.360 nan 0.000 0.505 374 G N 2.045 110.785 108.800 -0.101 0.000 2.272 374 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.280 374 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.280 374 G C -0.107 174.748 174.900 -0.076 0.000 1.067 374 G CA 0.751 45.795 45.100 -0.092 0.000 0.902 374 G HN 0.190 nan 8.290 nan 0.000 0.500 375 K N -1.194 119.160 120.400 -0.076 0.000 2.508 375 K HA 0.615 4.934 4.320 -0.001 0.000 0.260 375 K C -0.380 176.166 176.600 -0.090 0.000 0.949 375 K CA -1.258 54.987 56.287 -0.070 0.000 0.834 375 K CB 2.179 34.647 32.500 -0.054 0.000 1.365 375 K HN 0.209 nan 8.250 nan 0.000 0.437 376 L N 2.489 123.652 121.223 -0.100 0.000 2.416 376 L HA 0.111 4.450 4.340 -0.001 0.000 0.272 376 L C 0.417 177.195 176.870 -0.155 0.000 1.161 376 L CA 0.393 55.148 54.840 -0.142 0.000 0.845 376 L CB 1.245 43.222 42.059 -0.138 0.000 1.119 376 L HN 0.635 nan 8.230 nan 0.000 0.464 377 V N 1.625 121.392 119.914 -0.244 0.000 3.612 377 V HA 0.829 4.949 4.120 -0.001 0.000 0.268 377 V C 0.451 176.362 176.094 -0.304 0.000 1.365 377 V CA 0.460 62.601 62.300 -0.265 0.000 1.044 377 V CB -0.533 31.091 31.823 -0.333 0.000 0.820 377 V HN 1.082 nan 8.190 nan 0.000 0.444 378 A N 0.022 122.635 122.820 -0.344 0.000 2.583 378 A HA 0.821 5.140 4.320 -0.001 0.000 0.292 378 A C -1.553 175.901 177.584 -0.217 0.000 1.045 378 A CA -0.444 51.447 52.037 -0.244 0.000 0.672 378 A CB 1.228 20.084 19.000 -0.240 0.000 1.283 378 A HN 0.342 nan 8.150 nan 0.000 0.419 379 I N 1.298 121.790 120.570 -0.129 0.000 2.563 379 I HA 0.393 4.562 4.170 -0.001 0.000 0.285 379 I C -0.949 175.136 176.117 -0.053 0.000 1.123 379 I CA -0.277 60.957 61.300 -0.110 0.000 1.059 379 I CB 1.966 39.907 38.000 -0.099 0.000 1.229 379 I HN 0.597 nan 8.210 nan 0.000 0.442 380 E N 4.482 124.658 120.200 -0.039 0.000 2.248 380 E HA 0.251 4.600 4.350 -0.001 0.000 0.267 380 E C -1.435 175.173 176.600 0.013 0.000 0.877 380 E CA -0.656 55.742 56.400 -0.003 0.000 0.759 380 E CB 3.181 32.889 29.700 0.015 0.000 1.182 380 E HN 0.496 nan 8.360 nan 0.000 0.418 381 D N 1.363 121.777 120.400 0.023 0.000 2.350 381 D HA 0.018 4.657 4.640 -0.001 0.000 0.249 381 D C 1.013 177.342 176.300 0.049 0.000 1.119 381 D CA 0.176 54.199 54.000 0.039 0.000 0.886 381 D CB 1.240 42.059 40.800 0.032 0.000 1.195 381 D HN 0.441 nan 8.370 nan 0.000 0.437 382 T N 0.542 115.148 114.554 0.086 0.000 3.088 382 T HA 0.173 4.522 4.350 -0.001 0.000 0.259 382 T C 1.483 176.212 174.700 0.048 0.000 1.122 382 T CA 0.714 62.883 62.100 0.115 0.000 1.095 382 T CB 0.095 69.134 68.868 0.286 0.000 0.930 382 T HN 0.659 nan 8.240 nan 0.000 0.508 383 G N 0.310 109.119 108.800 0.015 0.000 2.205 383 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.261 383 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.261 383 G C 0.392 175.224 174.900 -0.113 0.000 0.980 383 G CA -0.052 45.027 45.100 -0.036 0.000 0.632 383 G HN 1.097 nan 8.290 nan 0.000 0.533 384 G N -1.300 107.387 108.800 -0.188 0.000 2.667 384 G HA2 0.617 4.577 3.960 -0.001 0.000 0.310 384 G HA3 0.617 4.577 3.960 -0.001 0.000 0.310 384 G C -0.670 174.127 174.900 -0.172 0.000 1.259 384 G CA -0.446 44.371 45.100 -0.471 0.000 1.019 384 G HN 0.206 nan 8.290 nan 0.000 0.496 385 Q N 0.730 120.450 119.800 -0.133 0.000 2.340 385 Q HA 0.401 4.741 4.340 -0.001 0.000 0.259 385 Q C -0.442 175.655 176.000 0.162 0.000 0.964 385 Q CA -0.179 55.645 55.803 0.034 0.000 0.900 385 Q CB 1.194 29.927 28.738 -0.009 0.000 1.228 385 Q HN 0.722 nan 8.270 nan 0.000 0.449 386 T N 2.360 117.014 114.554 0.167 0.000 3.389 386 T HA -0.092 4.258 4.350 -0.001 0.000 0.422 386 T C -2.430 172.355 174.700 0.142 0.000 0.767 386 T CA -0.215 61.966 62.100 0.135 0.000 2.199 386 T CB -1.146 67.762 68.868 0.065 0.000 1.700 386 T HN 0.453 nan 8.240 nan 0.000 0.698 387 P HA 0.112 nan 4.420 nan 0.000 0.268 387 P C -0.282 176.987 177.300 -0.053 0.000 1.204 387 P CA 0.270 63.220 63.100 -0.250 0.000 0.768 387 P CB 0.547 32.125 31.700 -0.204 0.000 0.842 388 H N 5.795 124.743 119.070 -0.204 0.000 2.808 388 H HA 0.222 4.777 4.556 -0.001 0.000 0.268 388 H C -2.200 173.028 175.328 -0.167 0.000 1.306 388 H CA -1.883 54.095 56.048 -0.118 0.000 1.565 388 H CB 1.657 31.315 29.762 -0.174 0.000 1.632 388 H HN 0.230 nan 8.280 nan 0.000 0.525 389 P HA 0.107 nan 4.420 nan 0.000 0.240 389 P C 1.003 178.292 177.300 -0.018 0.000 1.190 389 P CA 1.347 64.376 63.100 -0.119 0.000 0.781 389 P CB 1.249 32.928 31.700 -0.035 0.000 0.931 390 G N 1.994 110.742 108.800 -0.086 0.000 2.561 390 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.289 390 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.289 390 G C 0.895 175.889 174.900 0.156 0.000 1.169 390 G CA 0.329 45.563 45.100 0.224 0.000 0.980 390 G HN 0.283 nan 8.290 nan 0.000 0.550 391 R N 1.646 122.204 120.500 0.097 0.000 2.317 391 R HA 0.443 4.782 4.340 -0.001 0.000 0.208 391 R C 1.439 177.823 176.300 0.139 0.000 0.914 391 R CA 1.183 57.237 56.100 -0.077 0.000 1.060 391 R CB -0.081 29.778 30.300 -0.735 0.000 1.015 391 R HN 2.035 nan 8.270 nan 0.000 0.498 392 G N 0.403 109.245 108.800 0.070 0.000 2.725 392 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.220 392 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.220 392 G C -1.010 173.825 174.900 -0.109 0.000 1.357 392 G CA -0.506 44.419 45.100 -0.292 0.000 0.866 392 G HN 0.367 nan 8.290 nan 0.000 0.548 393 A N 0.188 122.806 122.820 -0.337 0.000 2.385 393 A HA 0.727 5.047 4.320 -0.001 0.000 0.290 393 A C -0.309 177.378 177.584 0.172 0.000 1.094 393 A CA -0.506 51.592 52.037 0.101 0.000 0.729 393 A CB 1.017 20.138 19.000 0.201 0.000 1.194 393 A HN 0.791 nan 8.150 nan 0.000 0.442 394 N N 1.802 120.698 118.700 0.325 0.000 2.456 394 N HA 0.794 5.533 4.740 -0.001 0.000 0.288 394 N C -0.960 174.751 175.510 0.335 0.000 1.059 394 N CA 0.258 53.480 53.050 0.286 0.000 0.946 394 N CB 1.627 40.274 38.487 0.266 0.000 1.150 394 N HN 0.677 nan 8.380 nan 0.000 0.479 395 F N -2.145 117.880 119.950 0.124 0.000 2.741 395 F HA 0.422 4.949 4.527 -0.001 0.000 0.311 395 F C -1.407 174.447 175.800 0.090 0.000 1.149 395 F CA -1.214 56.840 58.000 0.090 0.000 0.930 395 F CB 0.598 39.657 39.000 0.099 0.000 1.312 395 F HN -0.003 nan 8.300 nan 0.000 0.450 396 V N 3.032 123.101 119.914 0.259 0.000 2.353 396 V HA 0.174 4.293 4.120 -0.001 0.000 0.264 396 V C 0.157 176.420 176.094 0.281 0.000 1.049 396 V CA -0.333 62.049 62.300 0.137 0.000 0.896 396 V CB 0.049 31.931 31.823 0.098 0.000 1.025 396 V HN 0.848 nan 8.190 nan 0.000 0.475 397 H N 7.991 127.126 119.070 0.108 0.000 2.764 397 H HA 0.131 4.686 4.556 -0.001 0.000 0.341 397 H C -1.760 173.623 175.328 0.092 0.000 1.072 397 H CA -1.499 54.689 56.048 0.234 0.000 1.444 397 H CB 1.958 31.839 29.762 0.199 0.000 1.458 397 H HN 0.336 nan 8.280 nan 0.000 0.572 398 P HA -0.168 nan 4.420 nan 0.000 0.217 398 P C 1.205 178.539 177.300 0.056 0.000 1.151 398 P CA 2.666 65.745 63.100 -0.034 0.000 0.849 398 P CB 0.295 31.903 31.700 -0.153 0.000 0.787 399 T N -6.508 108.139 114.554 0.156 0.000 2.999 399 T HA 0.124 4.474 4.350 -0.001 0.000 0.247 399 T C 1.349 176.055 174.700 0.009 0.000 1.012 399 T CA 0.057 62.160 62.100 0.007 0.000 1.048 399 T CB -0.769 67.981 68.868 -0.196 0.000 1.020 399 T HN -0.164 nan 8.240 nan 0.000 0.478 400 F N 2.754 122.779 119.950 0.124 0.000 2.512 400 F HA 0.518 5.045 4.527 -0.001 0.000 0.296 400 F C 1.969 177.579 175.800 -0.317 0.000 1.110 400 F CA -0.016 57.888 58.000 -0.160 0.000 1.446 400 F CB -0.683 38.054 39.000 -0.439 0.000 1.092 400 F HN 0.614 nan 8.300 nan 0.000 0.554 401 G N -0.232 108.491 108.800 -0.127 0.000 2.587 401 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.212 401 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.212 401 G C -2.851 171.866 174.900 -0.305 0.000 1.327 401 G CA -1.304 43.462 45.100 -0.557 0.000 0.898 401 G HN -0.050 nan 8.290 nan 0.000 0.551 402 P HA 0.405 nan 4.420 nan 0.000 0.263 402 P C 0.191 177.350 177.300 -0.234 0.000 1.195 402 P CA 0.642 63.627 63.100 -0.191 0.000 0.762 402 P CB 0.978 32.603 31.700 -0.125 0.000 0.799 403 V N 1.051 120.803 119.914 -0.270 0.000 3.159 403 V HA 0.730 4.850 4.120 -0.001 0.000 0.308 403 V C -1.760 174.255 176.094 -0.132 0.000 1.190 403 V CA -1.216 60.930 62.300 -0.257 0.000 1.037 403 V CB 2.380 33.976 31.823 -0.379 0.000 1.060 403 V HN 0.558 nan 8.190 nan 0.000 0.437 404 W N 1.991 123.189 121.300 -0.169 0.000 2.702 404 W HA 0.871 5.530 4.660 -0.001 0.000 0.331 404 W C -0.361 176.159 176.519 0.002 0.000 1.049 404 W CA -0.112 57.222 57.345 -0.019 0.000 1.230 404 W CB 1.855 31.359 29.460 0.074 0.000 1.408 404 W HN 1.059 nan 8.180 nan 0.000 0.492 405 A N 3.394 125.995 122.820 -0.364 0.000 2.356 405 A HA 0.827 5.146 4.320 -0.001 0.000 0.323 405 A C -0.979 176.141 177.584 -0.773 0.000 1.119 405 A CA -0.565 51.271 52.037 -0.334 0.000 0.790 405 A CB 1.966 20.982 19.000 0.027 0.000 1.273 405 A HN 0.521 nan 8.150 nan 0.000 0.452 406 T N -0.122 114.152 114.554 -0.468 0.000 2.923 406 T HA 0.628 4.978 4.350 -0.001 0.000 0.311 406 T C -0.063 174.475 174.700 -0.269 0.000 1.183 406 T CA 0.197 62.032 62.100 -0.441 0.000 1.020 406 T CB 1.094 69.733 68.868 -0.382 0.000 1.165 406 T HN 1.484 nan 8.240 nan 0.000 0.482 407 S N 2.738 118.311 115.700 -0.211 0.000 2.745 407 S HA 0.806 5.275 4.470 -0.001 0.000 0.292 407 S C -0.875 173.574 174.600 -0.251 0.000 1.127 407 S CA -0.592 57.550 58.200 -0.096 0.000 1.007 407 S CB 0.738 63.934 63.200 -0.006 0.000 1.165 407 S HN 0.834 nan 8.310 nan 0.000 0.544 408 H N -1.034 118.006 119.070 -0.049 0.000 2.821 408 H HA 0.497 5.053 4.556 -0.001 0.000 0.373 408 H C 0.380 175.666 175.328 -0.071 0.000 1.165 408 H CA -0.771 55.255 56.048 -0.038 0.000 1.154 408 H CB 1.410 31.150 29.762 -0.037 0.000 1.765 408 H HN 0.488 nan 8.280 nan 0.000 0.549 409 M N 0.627 120.242 119.600 0.025 0.000 2.287 409 M HA 0.069 4.549 4.480 -0.001 0.000 0.266 409 M C 2.001 178.277 176.300 -0.040 0.000 1.079 409 M CA 1.429 56.673 55.300 -0.093 0.000 1.146 409 M CB 0.170 32.660 32.600 -0.182 0.000 1.374 409 M HN 0.852 nan 8.290 nan 0.000 0.435 410 G N 0.600 109.412 108.800 0.019 0.000 2.623 410 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.214 410 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.214 410 G C -0.066 174.826 174.900 -0.013 0.000 1.138 410 G CA 0.562 45.662 45.100 0.000 0.000 0.794 410 G HN 0.554 nan 8.290 nan 0.000 0.535 411 D N -1.895 118.501 120.400 -0.006 0.000 2.768 411 D HA 0.195 4.834 4.640 -0.001 0.000 0.327 411 D C -0.221 176.069 176.300 -0.017 0.000 1.302 411 D CA -0.393 53.586 54.000 -0.035 0.000 0.897 411 D CB 0.124 40.874 40.800 -0.083 0.000 1.420 411 D HN -0.044 nan 8.370 nan 0.000 0.494 412 D N -0.995 119.392 120.400 -0.021 0.000 2.328 412 D HA 0.081 4.721 4.640 -0.001 0.000 0.226 412 D C 0.113 176.415 176.300 0.003 0.000 1.066 412 D CA -0.142 53.860 54.000 0.003 0.000 0.861 412 D CB -0.477 40.338 40.800 0.024 0.000 0.912 412 D HN 0.391 nan 8.370 nan 0.000 0.521 413 S N -0.578 115.087 115.700 -0.057 0.000 2.601 413 S HA 0.479 4.949 4.470 -0.001 0.000 0.271 413 S C -0.058 174.532 174.600 -0.018 0.000 1.305 413 S CA -0.797 57.339 58.200 -0.107 0.000 1.022 413 S CB 1.749 64.793 63.200 -0.260 0.000 0.940 413 S HN -0.018 nan 8.310 nan 0.000 0.525 414 V N 1.892 121.651 119.914 -0.259 0.000 2.487 414 V HA 0.762 4.882 4.120 -0.001 0.000 0.298 414 V C 0.199 175.994 176.094 -0.499 0.000 1.028 414 V CA -0.505 61.566 62.300 -0.382 0.000 0.860 414 V CB 1.135 32.532 31.823 -0.710 0.000 0.991 414 V HN 1.227 nan 8.190 nan 0.000 0.427 415 A N 6.015 128.722 122.820 -0.188 0.000 2.350 415 A HA 0.944 5.263 4.320 -0.001 0.000 0.324 415 A C -0.991 176.544 177.584 -0.081 0.000 1.118 415 A CA -0.590 51.378 52.037 -0.115 0.000 0.783 415 A CB 1.095 20.139 19.000 0.073 0.000 1.236 415 A HN 0.784 nan 8.150 nan 0.000 0.457 416 L N 2.617 123.807 121.223 -0.056 0.000 2.341 416 L HA 0.612 4.952 4.340 -0.001 0.000 0.278 416 L C -0.583 176.259 176.870 -0.046 0.000 1.005 416 L CA -0.382 54.446 54.840 -0.020 0.000 0.818 416 L CB 1.694 43.757 42.059 0.007 0.000 1.259 416 L HN 0.719 nan 8.230 nan 0.000 0.418 417 I N 1.280 121.870 120.570 0.033 0.000 2.465 417 I HA 0.543 4.713 4.170 -0.001 0.000 0.291 417 I C 0.519 176.587 176.117 -0.082 0.000 1.014 417 I CA -0.376 60.932 61.300 0.013 0.000 1.093 417 I CB 1.858 39.954 38.000 0.161 0.000 1.267 417 I HN 0.662 nan 8.210 nan 0.000 0.431 418 G N 3.243 111.909 108.800 -0.224 0.000 2.398 418 G HA2 0.298 4.258 3.960 -0.001 0.000 0.246 418 G HA3 0.298 4.258 3.960 -0.001 0.000 0.246 418 G C 0.470 175.023 174.900 -0.578 0.000 1.289 418 G CA 0.207 45.090 45.100 -0.362 0.000 0.869 418 G HN 0.740 nan 8.290 nan 0.000 0.543 419 T N -1.324 112.896 114.554 -0.556 0.000 3.296 419 T HA 0.227 4.577 4.350 -0.001 0.000 0.285 419 T C -0.119 174.202 174.700 -0.632 0.000 1.014 419 T CA -0.379 61.279 62.100 -0.735 0.000 0.920 419 T CB 0.591 69.386 68.868 -0.121 0.000 1.143 419 T HN 0.357 nan 8.240 nan 0.000 0.522 420 D N 1.571 121.612 120.400 -0.598 0.000 2.441 420 D HA 0.392 5.031 4.640 -0.001 0.000 0.287 420 D C -1.980 174.144 176.300 -0.294 0.000 1.198 420 D CA -2.394 51.433 54.000 -0.289 0.000 0.894 420 D CB 1.697 42.451 40.800 -0.077 0.000 1.070 420 D HN 0.002 nan 8.370 nan 0.000 0.499 421 P HA -0.128 nan 4.420 nan 0.000 0.216 421 P C 0.940 178.195 177.300 -0.076 0.000 1.153 421 P CA 1.196 64.159 63.100 -0.228 0.000 0.858 421 P CB 0.504 32.161 31.700 -0.072 0.000 0.789 422 E N -1.196 118.995 120.200 -0.015 0.000 2.086 422 E HA -0.004 4.345 4.350 -0.001 0.000 0.190 422 E C 2.268 178.858 176.600 -0.018 0.000 0.975 422 E CA 1.131 57.535 56.400 0.007 0.000 0.813 422 E CB -0.704 29.021 29.700 0.043 0.000 0.768 422 E HN 0.240 nan 8.360 nan 0.000 0.457 423 G N -0.017 108.781 108.800 -0.003 0.000 2.492 423 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.214 423 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.214 423 G C 0.307 175.092 174.900 -0.191 0.000 1.147 423 G CA 0.218 45.292 45.100 -0.043 0.000 0.809 423 G HN 0.171 nan 8.290 nan 0.000 0.533 424 H N -0.109 118.906 119.070 -0.092 0.000 2.379 424 H HA 0.326 4.881 4.556 -0.001 0.000 0.229 424 H C -1.803 173.439 175.328 -0.143 0.000 1.423 424 H CA -1.447 54.544 56.048 -0.095 0.000 1.375 424 H CB 1.705 31.412 29.762 -0.092 0.000 1.592 424 H HN 0.081 nan 8.280 nan 0.000 0.507 425 P HA -0.215 nan 4.420 nan 0.000 0.215 425 P C 1.208 178.457 177.300 -0.086 0.000 1.163 425 P CA 1.368 64.420 63.100 -0.080 0.000 0.894 425 P CB 0.486 32.155 31.700 -0.053 0.000 0.791 426 D N -1.546 118.823 120.400 -0.052 0.000 2.178 426 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 426 D C 1.464 177.717 176.300 -0.078 0.000 0.980 426 D CA 0.964 54.936 54.000 -0.047 0.000 0.842 426 D CB -0.677 40.111 40.800 -0.018 0.000 0.948 426 D HN 0.146 nan 8.370 nan 0.000 0.472 427 N N 0.407 119.053 118.700 -0.090 0.000 2.446 427 N HA 0.038 4.777 4.740 -0.001 0.000 0.179 427 N C 0.310 175.650 175.510 -0.283 0.000 1.054 427 N CA 0.096 53.052 53.050 -0.158 0.000 0.905 427 N CB -0.054 38.366 38.487 -0.112 0.000 0.973 427 N HN 0.018 nan 8.380 nan 0.000 0.448 428 A N 0.305 122.903 122.820 -0.369 0.000 2.548 428 A HA 0.098 4.417 4.320 -0.001 0.000 0.247 428 A C -0.092 177.133 177.584 -0.597 0.000 1.067 428 A CA -0.134 51.448 52.037 -0.758 0.000 0.757 428 A CB -0.810 17.673 19.000 -0.861 0.000 0.996 428 A HN 0.522 nan 8.150 nan 0.000 0.504 429 W N 0.116 121.314 121.300 -0.171 0.000 4.849 429 W HA -0.226 4.434 4.660 -0.001 0.000 0.358 429 W C 0.559 177.002 176.519 -0.128 0.000 1.331 429 W CA 0.985 58.232 57.345 -0.164 0.000 0.844 429 W CB -1.263 28.091 29.460 -0.175 0.000 2.434 429 W HN 0.799 nan 8.180 nan 0.000 1.458 430 K N 0.742 121.124 120.400 -0.029 0.000 2.316 430 K HA 0.492 4.812 4.320 -0.001 0.000 0.251 430 K C 0.201 176.741 176.600 -0.100 0.000 0.934 430 K CA -1.032 55.221 56.287 -0.057 0.000 0.802 430 K CB 0.979 33.417 32.500 -0.103 0.000 1.171 430 K HN -0.119 nan 8.250 nan 0.000 0.426 431 I N 6.689 127.215 120.570 -0.074 0.000 2.494 431 I HA -0.013 4.156 4.170 -0.001 0.000 0.289 431 I C 1.136 177.140 176.117 -0.188 0.000 1.106 431 I CA 0.287 61.532 61.300 -0.092 0.000 1.369 431 I CB 0.092 38.069 38.000 -0.040 0.000 1.410 431 I HN 0.766 nan 8.210 nan 0.000 0.523 432 L N 3.920 124.943 121.223 -0.335 0.000 2.307 432 L HA 0.131 4.470 4.340 -0.001 0.000 0.211 432 L C 0.438 177.021 176.870 -0.478 0.000 1.099 432 L CA 0.788 55.242 54.840 -0.645 0.000 0.816 432 L CB -0.099 41.178 42.059 -1.303 0.000 0.952 432 L HN 0.563 nan 8.230 nan 0.000 0.455 433 D N -1.696 118.582 120.400 -0.203 0.000 2.648 433 D HA 0.375 5.015 4.640 -0.001 0.000 0.244 433 D C -1.526 174.796 176.300 0.037 0.000 1.244 433 D CA -0.192 53.844 54.000 0.061 0.000 0.772 433 D CB 2.229 43.234 40.800 0.342 0.000 1.379 433 D HN -0.235 nan 8.370 nan 0.000 0.428 434 S N 1.212 116.963 115.700 0.085 0.000 2.603 434 S HA 0.780 5.250 4.470 -0.001 0.000 0.274 434 S C -1.730 172.904 174.600 0.056 0.000 1.168 434 S CA -0.676 57.468 58.200 -0.094 0.000 0.963 434 S CB 0.061 63.223 63.200 -0.063 0.000 1.078 434 S HN 0.351 nan 8.310 nan 0.000 0.477 435 F N 2.254 122.222 119.950 0.030 0.000 2.645 435 F HA 0.829 5.356 4.527 -0.001 0.000 0.310 435 F C -3.001 172.850 175.800 0.084 0.000 1.102 435 F CA -2.239 55.800 58.000 0.065 0.000 0.952 435 F CB 0.854 39.904 39.000 0.082 0.000 1.326 435 F HN 0.284 nan 8.300 nan 0.000 0.456 436 P HA 0.498 nan 4.420 nan 0.000 0.281 436 P C -0.993 176.568 177.300 0.435 0.000 1.249 436 P CA 0.081 63.356 63.100 0.291 0.000 0.810 436 P CB 2.035 33.889 31.700 0.256 0.000 1.008 437 A N 2.402 125.331 122.820 0.182 0.000 3.981 437 A HA 0.419 4.738 4.320 -0.001 0.000 0.153 437 A C 1.677 179.047 177.584 -0.357 0.000 1.090 437 A CA -0.480 51.456 52.037 -0.168 0.000 0.990 437 A CB -0.619 18.375 19.000 -0.009 0.000 1.553 437 A HN 0.454 nan 8.150 nan 0.000 0.696 438 L N -0.534 120.445 121.223 -0.407 0.000 2.056 438 L HA 0.219 4.558 4.340 -0.001 0.000 0.207 438 L C 1.295 178.150 176.870 -0.024 0.000 1.078 438 L CA 1.397 56.140 54.840 -0.162 0.000 0.749 438 L CB -0.324 41.643 42.059 -0.154 0.000 0.901 438 L HN 0.943 nan 8.230 nan 0.000 0.433 439 G N -2.311 106.470 108.800 -0.032 0.000 2.315 439 G HA2 0.343 4.302 3.960 -0.001 0.000 0.294 439 G HA3 0.343 4.302 3.960 -0.001 0.000 0.294 439 G C -0.766 174.123 174.900 -0.018 0.000 1.300 439 G CA -0.429 44.667 45.100 -0.008 0.000 0.843 439 G HN 0.161 nan 8.290 nan 0.000 0.527 440 G N -1.766 107.022 108.800 -0.020 0.000 2.651 440 G HA2 0.563 4.522 3.960 -0.001 0.000 0.260 440 G HA3 0.563 4.522 3.960 -0.001 0.000 0.260 440 G C 1.297 176.169 174.900 -0.046 0.000 1.216 440 G CA 1.216 46.300 45.100 -0.027 0.000 0.913 440 G HN 2.384 nan 8.290 nan 0.000 0.535 441 G N -1.607 107.153 108.800 -0.066 0.000 2.132 441 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.234 441 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.234 441 G C 0.600 175.425 174.900 -0.126 0.000 0.989 441 G CA 0.716 45.752 45.100 -0.107 0.000 0.676 441 G HN 1.337 nan 8.290 nan 0.000 0.522 442 S N -0.848 114.794 115.700 -0.097 0.000 2.576 442 S HA 0.661 5.131 4.470 -0.001 0.000 0.276 442 S C 1.491 175.970 174.600 -0.201 0.000 1.339 442 S CA 0.084 58.233 58.200 -0.084 0.000 1.039 442 S CB 0.867 64.053 63.200 -0.022 0.000 0.902 442 S HN 0.440 nan 8.310 nan 0.000 0.516 443 L N 2.466 123.564 121.223 -0.208 0.000 2.806 443 L HA 0.456 4.796 4.340 -0.001 0.000 0.242 443 L C -0.888 175.613 176.870 -0.615 0.000 1.068 443 L CA 0.113 54.623 54.840 -0.550 0.000 0.923 443 L CB 0.345 42.027 42.059 -0.628 0.000 1.364 443 L HN 0.522 nan 8.230 nan 0.000 0.511 444 F N -0.025 120.025 119.950 0.168 0.000 2.569 444 F HA 0.507 5.033 4.527 -0.001 0.000 0.312 444 F C -0.483 175.420 175.800 0.171 0.000 1.109 444 F CA -0.641 57.469 58.000 0.184 0.000 0.919 444 F CB 2.340 41.452 39.000 0.187 0.000 1.211 444 F HN -0.297 nan 8.300 nan 0.000 0.446 445 I N 2.962 123.719 120.570 0.311 0.000 2.530 445 I HA 0.678 4.847 4.170 -0.001 0.000 0.297 445 I C -1.277 175.028 176.117 0.313 0.000 1.011 445 I CA -0.615 60.844 61.300 0.265 0.000 1.107 445 I CB 1.648 39.715 38.000 0.112 0.000 1.285 445 I HN 0.616 nan 8.210 nan 0.000 0.436 446 K N 3.665 124.311 120.400 0.409 0.000 2.546 446 K HA 0.677 4.996 4.320 -0.001 0.000 0.264 446 K C -1.185 175.802 176.600 0.645 0.000 0.937 446 K CA -0.429 56.143 56.287 0.475 0.000 0.833 446 K CB 2.165 34.917 32.500 0.420 0.000 1.378 446 K HN 0.661 nan 8.250 nan 0.000 0.432 447 T N 0.417 115.321 114.554 0.584 0.000 2.665 447 T HA 0.459 4.809 4.350 -0.001 0.000 0.303 447 T C -2.205 172.504 174.700 0.014 0.000 1.334 447 T CA -0.472 61.900 62.100 0.453 0.000 1.011 447 T CB 0.753 69.803 68.868 0.303 0.000 1.573 447 T HN 0.584 nan 8.240 nan 0.000 0.492 448 H N 0.072 118.906 119.070 -0.393 0.000 3.046 448 H HA 0.359 4.914 4.556 -0.001 0.000 0.361 448 H C -2.479 172.727 175.328 -0.203 0.000 1.235 448 H CA -1.449 54.300 56.048 -0.499 0.000 1.146 448 H CB 2.416 31.447 29.762 -1.218 0.000 1.859 448 H HN 0.325 nan 8.280 nan 0.000 0.548 449 P HA -0.092 nan 4.420 nan 0.000 0.219 449 P C 0.576 177.914 177.300 0.062 0.000 1.146 449 P CA 1.116 64.145 63.100 -0.118 0.000 0.808 449 P CB 0.392 31.970 31.700 -0.204 0.000 0.779 450 N N -1.746 117.127 118.700 0.287 0.000 2.336 450 N HA 0.033 4.772 4.740 -0.001 0.000 0.189 450 N C 0.369 175.959 175.510 0.133 0.000 1.113 450 N CA 0.428 53.599 53.050 0.203 0.000 0.858 450 N CB -0.017 38.595 38.487 0.209 0.000 0.970 450 N HN 0.052 nan 8.380 nan 0.000 0.471 451 S N 0.237 116.008 115.700 0.119 0.000 2.593 451 S HA 0.230 4.699 4.470 -0.001 0.000 0.297 451 S C 0.663 175.267 174.600 0.006 0.000 1.112 451 S CA -0.647 57.631 58.200 0.130 0.000 1.043 451 S CB 1.314 64.683 63.200 0.283 0.000 1.054 451 S HN 0.290 nan 8.310 nan 0.000 0.516 452 Q N 1.865 121.556 119.800 -0.181 0.000 2.198 452 Q HA 0.253 4.593 4.340 -0.001 0.000 0.209 452 Q C -1.124 174.591 176.000 -0.475 0.000 0.848 452 Q CA -0.191 55.397 55.803 -0.359 0.000 0.974 452 Q CB 0.021 28.474 28.738 -0.475 0.000 1.115 452 Q HN 0.625 nan 8.270 nan 0.000 0.494 453 Y N 0.543 120.895 120.300 0.086 0.000 2.446 453 Y HA 0.542 5.092 4.550 -0.001 0.000 0.338 453 Y C -0.792 175.140 175.900 0.053 0.000 1.055 453 Y CA -1.801 56.298 58.100 -0.001 0.000 1.101 453 Y CB 1.749 40.142 38.460 -0.112 0.000 1.221 453 Y HN 0.061 nan 8.280 nan 0.000 0.460 454 L N 3.468 124.785 121.223 0.155 0.000 2.316 454 L HA 0.524 4.863 4.340 -0.001 0.000 0.280 454 L C -1.868 175.158 176.870 0.261 0.000 1.006 454 L CA -0.813 54.169 54.840 0.236 0.000 0.836 454 L CB 0.146 42.280 42.059 0.126 0.000 1.221 454 L HN 0.449 nan 8.230 nan 0.000 0.418 455 Y N 4.078 124.615 120.300 0.394 0.000 2.323 455 Y HA 0.662 5.211 4.550 -0.001 0.000 0.331 455 Y C -0.099 175.999 175.900 0.329 0.000 1.092 455 Y CA -0.715 57.603 58.100 0.363 0.000 1.150 455 Y CB 1.728 40.474 38.460 0.477 0.000 1.200 455 Y HN 0.266 nan 8.280 nan 0.000 0.472 456 V N 3.732 123.867 119.914 0.368 0.000 2.524 456 V HA 0.253 4.372 4.120 -0.001 0.000 0.297 456 V C -0.681 175.505 176.094 0.152 0.000 1.035 456 V CA -1.098 61.361 62.300 0.264 0.000 0.867 456 V CB 1.410 33.373 31.823 0.233 0.000 1.004 456 V HN 0.818 nan 8.190 nan 0.000 0.426 457 D N 3.963 124.476 120.400 0.188 0.000 2.478 457 D HA 0.705 5.344 4.640 -0.001 0.000 0.269 457 D C 0.274 176.600 176.300 0.043 0.000 1.232 457 D CA -0.432 53.632 54.000 0.107 0.000 1.059 457 D CB 1.622 42.550 40.800 0.214 0.000 1.104 457 D HN 0.716 nan 8.370 nan 0.000 0.566 458 A N -0.754 122.074 122.820 0.013 0.000 3.165 458 A HA 0.316 4.635 4.320 -0.001 0.000 0.212 458 A C 1.035 178.610 177.584 -0.014 0.000 0.935 458 A CA -0.361 51.665 52.037 -0.020 0.000 1.100 458 A CB -0.689 18.284 19.000 -0.045 0.000 1.260 458 A HN 0.449 nan 8.150 nan 0.000 0.532 459 T N 0.842 115.412 114.554 0.027 0.000 2.620 459 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 459 T C 1.493 176.194 174.700 0.001 0.000 1.044 459 T CA 2.074 64.209 62.100 0.060 0.000 1.161 459 T CB -0.380 68.586 68.868 0.163 0.000 0.862 459 T HN 0.490 nan 8.240 nan 0.000 0.438 460 L N 0.814 122.008 121.223 -0.049 0.000 2.612 460 L HA 0.184 4.524 4.340 -0.001 0.000 0.230 460 L C 1.126 177.956 176.870 -0.067 0.000 1.140 460 L CA -0.319 54.480 54.840 -0.068 0.000 0.896 460 L CB -0.578 41.411 42.059 -0.115 0.000 1.065 460 L HN 0.248 nan 8.230 nan 0.000 0.447 461 N N 2.353 121.018 118.700 -0.059 0.000 2.458 461 N HA 0.003 4.743 4.740 -0.001 0.000 0.258 461 N C -1.429 174.048 175.510 -0.055 0.000 1.219 461 N CA -0.863 52.155 53.050 -0.053 0.000 0.902 461 N CB 1.497 39.955 38.487 -0.047 0.000 1.076 461 N HN -0.040 nan 8.380 nan 0.000 0.455 462 P HA -0.070 nan 4.420 nan 0.000 0.222 462 P C -0.502 176.767 177.300 -0.051 0.000 1.147 462 P CA 1.102 64.170 63.100 -0.053 0.000 0.790 462 P CB 0.308 31.979 31.700 -0.047 0.000 0.780 463 E N -0.140 120.032 120.200 -0.046 0.000 2.180 463 E HA 0.309 4.659 4.350 -0.001 0.000 0.283 463 E C 1.166 177.735 176.600 -0.051 0.000 1.061 463 E CA -0.383 55.991 56.400 -0.045 0.000 0.861 463 E CB 0.932 30.610 29.700 -0.037 0.000 1.056 463 E HN 0.001 nan 8.360 nan 0.000 0.407 464 A N 3.939 126.727 122.820 -0.053 0.000 1.948 464 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 464 A C 1.985 179.531 177.584 -0.063 0.000 1.177 464 A CA 1.779 53.781 52.037 -0.059 0.000 0.636 464 A CB -0.267 18.700 19.000 -0.056 0.000 0.815 464 A HN 0.777 nan 8.150 nan 0.000 0.449 465 E N -0.464 119.701 120.200 -0.059 0.000 2.153 465 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 465 E C 1.772 178.328 176.600 -0.074 0.000 0.988 465 E CA 1.232 57.591 56.400 -0.067 0.000 0.811 465 E CB -0.153 29.513 29.700 -0.056 0.000 0.746 465 E HN 0.731 nan 8.360 nan 0.000 0.466 466 I N 0.266 120.799 120.570 -0.062 0.000 2.429 466 I HA -0.172 3.998 4.170 -0.001 0.000 0.247 466 I C 2.538 178.613 176.117 -0.070 0.000 1.099 466 I CA 0.877 62.140 61.300 -0.062 0.000 1.422 466 I CB -0.237 37.736 38.000 -0.044 0.000 1.112 466 I HN 0.124 nan 8.210 nan 0.000 0.430 467 S N 0.882 116.546 115.700 -0.062 0.000 2.442 467 S HA -0.081 4.389 4.470 -0.001 0.000 0.236 467 S C 1.820 176.386 174.600 -0.057 0.000 1.007 467 S CA 1.069 59.238 58.200 -0.052 0.000 0.965 467 S CB -0.803 62.366 63.200 -0.053 0.000 0.773 467 S HN 0.482 nan 8.310 nan 0.000 0.504 468 G N 0.026 108.778 108.800 -0.080 0.000 3.284 468 G HA2 0.500 4.459 3.960 -0.001 0.000 0.236 468 G HA3 0.500 4.459 3.960 -0.001 0.000 0.236 468 G C -0.004 174.800 174.900 -0.159 0.000 1.158 468 G CA -0.269 44.773 45.100 -0.097 0.000 0.774 468 G HN 0.472 nan 8.290 nan 0.000 0.545 469 S N -1.476 114.122 115.700 -0.170 0.000 2.667 469 S HA 0.746 5.215 4.470 -0.001 0.000 0.292 469 S C -1.027 173.425 174.600 -0.246 0.000 1.126 469 S CA -0.526 57.530 58.200 -0.241 0.000 0.881 469 S CB 2.608 65.684 63.200 -0.207 0.000 1.132 469 S HN -0.034 nan 8.310 nan 0.000 0.492 470 V N 0.982 120.712 119.914 -0.307 0.000 2.789 470 V HA 0.781 4.900 4.120 -0.001 0.000 0.311 470 V C -0.307 175.660 176.094 -0.212 0.000 1.073 470 V CA -0.814 61.321 62.300 -0.275 0.000 0.921 470 V CB 1.734 33.266 31.823 -0.485 0.000 1.009 470 V HN 1.036 nan 8.190 nan 0.000 0.426 471 A N 3.788 126.485 122.820 -0.206 0.000 2.310 471 A HA 0.844 5.163 4.320 -0.001 0.000 0.299 471 A C -0.726 176.699 177.584 -0.264 0.000 1.147 471 A CA -0.435 51.395 52.037 -0.345 0.000 0.818 471 A CB 1.098 19.623 19.000 -0.791 0.000 1.096 471 A HN 0.812 nan 8.150 nan 0.000 0.495 472 V N 2.590 122.304 119.914 -0.333 0.000 2.525 472 V HA 0.433 4.552 4.120 -0.001 0.000 0.299 472 V C -1.110 174.792 176.094 -0.320 0.000 1.034 472 V CA -0.278 61.815 62.300 -0.346 0.000 0.863 472 V CB 0.889 32.421 31.823 -0.485 0.000 0.999 472 V HN 0.720 nan 8.190 nan 0.000 0.423 473 F N 1.953 121.910 119.950 0.012 0.000 2.422 473 F HA 0.479 5.006 4.527 -0.001 0.000 0.333 473 F C 0.502 176.365 175.800 0.106 0.000 1.095 473 F CA -0.610 57.433 58.000 0.072 0.000 1.038 473 F CB 1.236 40.279 39.000 0.071 0.000 1.156 473 F HN 0.426 nan 8.300 nan 0.000 0.483 474 D N 3.273 123.841 120.400 0.279 0.000 2.380 474 D HA 0.215 4.855 4.640 -0.001 0.000 0.230 474 D C 1.110 177.413 176.300 0.005 0.000 1.154 474 D CA 0.134 54.251 54.000 0.195 0.000 0.859 474 D CB 0.550 41.462 40.800 0.186 0.000 1.045 474 D HN 0.506 nan 8.370 nan 0.000 0.495 475 I N 3.150 123.647 120.570 -0.123 0.000 2.264 475 I HA -0.273 3.897 4.170 -0.001 0.000 0.248 475 I C 2.255 178.269 176.117 -0.173 0.000 1.111 475 I CA 0.954 62.118 61.300 -0.226 0.000 1.382 475 I CB 0.019 37.797 38.000 -0.371 0.000 1.060 475 I HN 0.340 nan 8.210 nan 0.000 0.418 476 K N 0.624 120.934 120.400 -0.150 0.000 2.209 476 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 476 K C 1.953 178.495 176.600 -0.097 0.000 1.048 476 K CA 1.340 57.558 56.287 -0.116 0.000 0.940 476 K CB -0.125 32.311 32.500 -0.106 0.000 0.729 476 K HN 0.342 nan 8.250 nan 0.000 0.451 477 A N 0.388 123.161 122.820 -0.078 0.000 2.218 477 A HA 0.111 4.430 4.320 -0.001 0.000 0.209 477 A C 0.674 178.208 177.584 -0.082 0.000 1.168 477 A CA -0.029 51.974 52.037 -0.057 0.000 0.804 477 A CB -0.139 18.850 19.000 -0.017 0.000 0.834 477 A HN 0.146 nan 8.150 nan 0.000 0.482 478 M N 2.232 121.748 119.600 -0.141 0.000 2.307 478 M HA 0.127 4.606 4.480 -0.001 0.000 0.346 478 M C 0.771 176.957 176.300 -0.189 0.000 1.552 478 M CA 0.092 55.284 55.300 -0.180 0.000 1.116 478 M CB 0.444 32.862 32.600 -0.303 0.000 1.889 478 M HN 0.466 nan 8.290 nan 0.000 0.460 479 T N -0.224 114.285 114.554 -0.074 0.000 2.880 479 T HA 0.657 5.007 4.350 -0.001 0.000 0.279 479 T C 0.743 175.419 174.700 -0.039 0.000 0.990 479 T CA -0.614 61.451 62.100 -0.058 0.000 0.938 479 T CB 1.554 70.399 68.868 -0.038 0.000 1.206 479 T HN 0.721 nan 8.240 nan 0.000 0.573 480 G N 0.305 109.027 108.800 -0.129 0.000 4.757 480 G HA2 0.299 4.259 3.960 -0.001 0.000 0.303 480 G HA3 0.299 4.259 3.960 -0.001 0.000 0.303 480 G C 0.291 175.169 174.900 -0.036 0.000 1.318 480 G CA -0.275 44.649 45.100 -0.293 0.000 1.020 480 G HN 0.799 nan 8.290 nan 0.000 0.589 481 D N -1.044 119.372 120.400 0.026 0.000 2.349 481 D HA 0.183 4.822 4.640 -0.001 0.000 0.214 481 D C 1.715 178.070 176.300 0.090 0.000 1.063 481 D CA 0.387 54.420 54.000 0.054 0.000 0.847 481 D CB 0.045 40.863 40.800 0.030 0.000 0.933 481 D HN 0.524 nan 8.370 nan 0.000 0.513 482 G N 0.371 109.252 108.800 0.135 0.000 2.241 482 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.244 482 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.244 482 G C 0.460 175.432 174.900 0.120 0.000 0.998 482 G CA 0.360 45.544 45.100 0.139 0.000 0.621 482 G HN 0.847 nan 8.290 nan 0.000 0.519 483 S N 0.833 116.587 115.700 0.091 0.000 2.592 483 S HA 0.513 4.983 4.470 -0.001 0.000 0.271 483 S C -0.333 174.317 174.600 0.083 0.000 1.326 483 S CA -0.207 58.038 58.200 0.075 0.000 1.024 483 S CB 1.546 64.774 63.200 0.046 0.000 0.921 483 S HN 0.196 nan 8.310 nan 0.000 0.527 484 D N 3.154 123.612 120.400 0.098 0.000 2.343 484 D HA 0.344 4.984 4.640 -0.001 0.000 0.255 484 D C -2.192 174.136 176.300 0.046 0.000 1.187 484 D CA -1.067 53.006 54.000 0.121 0.000 0.875 484 D CB 0.392 41.314 40.800 0.204 0.000 1.136 484 D HN 0.406 nan 8.370 nan 0.000 0.469 485 P HA 0.056 nan 4.420 nan 0.000 0.268 485 P C 0.037 177.446 177.300 0.181 0.000 1.204 485 P CA -0.012 63.056 63.100 -0.054 0.000 0.768 485 P CB 0.842 32.339 31.700 -0.338 0.000 0.842 486 E N 1.721 121.973 120.200 0.087 0.000 2.374 486 E HA 0.397 4.746 4.350 -0.001 0.000 0.260 486 E C -0.390 176.197 176.600 -0.021 0.000 1.101 486 E CA -0.173 56.208 56.400 -0.030 0.000 0.907 486 E CB 0.334 29.966 29.700 -0.112 0.000 1.014 486 E HN 0.403 nan 8.360 nan 0.000 0.427 487 F N -1.254 118.540 119.950 -0.261 0.000 2.613 487 F HA 0.536 5.062 4.527 -0.001 0.000 0.310 487 F C -0.719 174.877 175.800 -0.340 0.000 1.085 487 F CA -1.395 56.281 58.000 -0.539 0.000 0.945 487 F CB 1.028 39.322 39.000 -1.176 0.000 1.298 487 F HN 0.113 nan 8.300 nan 0.000 0.455 488 K N 0.941 121.280 120.400 -0.101 0.000 2.130 488 K HA 0.584 4.904 4.320 -0.001 0.000 0.268 488 K C -1.055 175.536 176.600 -0.015 0.000 0.983 488 K CA -0.444 55.779 56.287 -0.107 0.000 0.893 488 K CB 1.509 33.924 32.500 -0.142 0.000 1.066 488 K HN 0.888 nan 8.250 nan 0.000 0.450 489 T N 4.712 119.241 114.554 -0.040 0.000 2.758 489 T HA 0.332 4.681 4.350 -0.001 0.000 0.285 489 T C -0.370 174.208 174.700 -0.203 0.000 0.981 489 T CA -0.604 61.458 62.100 -0.064 0.000 0.965 489 T CB 0.340 69.195 68.868 -0.022 0.000 0.927 489 T HN 0.391 nan 8.240 nan 0.000 0.448 490 L N 6.371 127.411 121.223 -0.304 0.000 2.265 490 L HA 0.363 4.703 4.340 -0.001 0.000 0.289 490 L C -1.813 174.619 176.870 -0.730 0.000 1.033 490 L CA -2.246 52.250 54.840 -0.573 0.000 0.814 490 L CB 1.275 43.037 42.059 -0.494 0.000 1.203 490 L HN 0.360 nan 8.230 nan 0.000 0.423 491 P HA 0.063 nan 4.420 nan 0.000 0.230 491 P C 1.020 177.801 177.300 -0.864 0.000 1.791 491 P CA -0.296 62.356 63.100 -0.746 0.000 1.020 491 P CB 0.241 31.578 31.700 -0.605 0.000 1.977 492 I N 1.689 121.874 120.570 -0.642 0.000 2.118 492 I HA -0.272 3.897 4.170 -0.001 0.000 0.241 492 I C 2.391 178.430 176.117 -0.129 0.000 1.070 492 I CA 1.812 62.906 61.300 -0.344 0.000 1.327 492 I CB -2.024 35.797 38.000 -0.300 0.000 1.034 492 I HN 0.162 nan 8.210 nan 0.000 0.405 493 A N 0.223 122.961 122.820 -0.136 0.000 1.902 493 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 493 A C 2.397 179.959 177.584 -0.037 0.000 1.181 493 A CA 1.884 53.885 52.037 -0.061 0.000 0.623 493 A CB -0.758 18.203 19.000 -0.065 0.000 0.818 493 A HN 0.559 nan 8.150 nan 0.000 0.443 494 E N -1.278 118.872 120.200 -0.083 0.000 2.077 494 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 494 E C 1.734 178.398 176.600 0.106 0.000 0.989 494 E CA 1.365 57.748 56.400 -0.028 0.000 0.800 494 E CB -0.227 29.421 29.700 -0.086 0.000 0.746 494 E HN 0.760 nan 8.360 nan 0.000 0.452 495 W N 0.333 121.588 121.300 -0.075 0.000 2.350 495 W HA -0.026 4.633 4.660 -0.001 0.000 0.289 495 W C 2.297 178.756 176.519 -0.100 0.000 1.215 495 W CA 1.112 58.405 57.345 -0.086 0.000 1.236 495 W CB -0.854 28.550 29.460 -0.093 0.000 1.130 495 W HN 0.205 nan 8.180 nan 0.000 0.541 496 A N -0.558 122.341 122.820 0.132 0.000 2.167 496 A HA 0.349 4.668 4.320 -0.001 0.000 0.214 496 A C 1.832 179.416 177.584 -0.000 0.000 1.151 496 A CA 1.255 53.306 52.037 0.024 0.000 0.735 496 A CB -0.830 18.176 19.000 0.010 0.000 0.802 496 A HN 0.571 nan 8.150 nan 0.000 0.467 497 G N -0.772 108.040 108.800 0.020 0.000 2.198 497 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.257 497 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.257 497 G C -0.069 174.827 174.900 -0.008 0.000 1.042 497 G CA 0.428 45.529 45.100 0.002 0.000 0.791 497 G HN 0.529 nan 8.290 nan 0.000 0.502 498 I N 0.918 121.484 120.570 -0.006 0.000 2.382 498 I HA 0.423 4.592 4.170 -0.001 0.000 0.286 498 I C 1.261 177.368 176.117 -0.017 0.000 1.002 498 I CA -0.090 61.203 61.300 -0.011 0.000 1.135 498 I CB 1.807 39.803 38.000 -0.005 0.000 1.288 498 I HN 0.215 nan 8.210 nan 0.000 0.448 499 T N 0.052 114.594 114.554 -0.019 0.000 2.964 499 T HA 0.106 4.455 4.350 -0.001 0.000 0.250 499 T C 0.535 175.219 174.700 -0.026 0.000 0.982 499 T CA -0.345 61.740 62.100 -0.025 0.000 0.959 499 T CB -0.069 68.786 68.868 -0.023 0.000 1.141 499 T HN 0.628 nan 8.240 nan 0.000 0.494 500 E N 2.046 122.233 120.200 -0.021 0.000 2.415 500 E HA 0.433 4.782 4.350 -0.001 0.000 0.262 500 E C 1.060 177.643 176.600 -0.028 0.000 1.038 500 E CA -0.030 56.357 56.400 -0.022 0.000 0.921 500 E CB -0.188 29.503 29.700 -0.016 0.000 0.950 500 E HN 0.539 nan 8.360 nan 0.000 0.438 501 G N 2.461 111.242 108.800 -0.032 0.000 2.552 501 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.265 501 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.265 501 G C -0.216 174.648 174.900 -0.060 0.000 1.234 501 G CA 0.374 45.447 45.100 -0.044 0.000 0.944 501 G HN 0.743 nan 8.290 nan 0.000 0.568 502 Q N 1.482 121.232 119.800 -0.084 0.000 2.815 502 Q HA 0.426 4.765 4.340 -0.001 0.000 0.329 502 Q C -2.342 173.579 176.000 -0.131 0.000 1.037 502 Q CA -1.574 54.163 55.803 -0.110 0.000 1.002 502 Q CB 1.062 29.716 28.738 -0.140 0.000 1.274 502 Q HN 0.511 nan 8.270 nan 0.000 0.452 503 P HA 0.062 nan 4.420 nan 0.000 0.274 503 P C -0.923 176.351 177.300 -0.043 0.000 1.291 503 P CA 0.112 63.183 63.100 -0.049 0.000 0.815 503 P CB 0.405 32.093 31.700 -0.019 0.000 0.897 504 R N 2.162 122.637 120.500 -0.042 0.000 2.346 504 R HA 0.474 4.814 4.340 -0.001 0.000 0.311 504 R C -0.178 176.207 176.300 0.142 0.000 0.983 504 R CA -1.084 55.022 56.100 0.010 0.000 0.880 504 R CB 1.467 31.734 30.300 -0.054 0.000 1.100 504 R HN 0.241 nan 8.270 nan 0.000 0.453 505 V N 3.850 123.825 119.914 0.101 0.000 2.546 505 V HA 0.331 4.450 4.120 -0.001 0.000 0.284 505 V C -0.110 176.115 176.094 0.219 0.000 1.050 505 V CA -0.289 62.088 62.300 0.130 0.000 0.981 505 V CB 1.551 33.372 31.823 -0.003 0.000 0.990 505 V HN 0.493 nan 8.190 nan 0.000 0.474 506 V N 5.281 125.369 119.914 0.289 0.000 2.969 506 V HA 0.513 4.633 4.120 -0.001 0.000 0.304 506 V C -0.558 175.688 176.094 0.254 0.000 1.192 506 V CA -0.361 62.139 62.300 0.333 0.000 0.962 506 V CB 1.786 33.839 31.823 0.382 0.000 1.045 506 V HN 1.067 nan 8.190 nan 0.000 0.428 507 Q N 2.995 122.951 119.800 0.260 0.000 2.821 507 Q HA -0.136 4.203 4.340 -0.001 0.000 0.138 507 Q C -0.102 175.822 176.000 -0.127 0.000 1.496 507 Q CA 0.863 56.621 55.803 -0.076 0.000 0.514 507 Q CB -0.814 27.507 28.738 -0.696 0.000 0.674 507 Q HN 1.463 nan 8.270 nan 0.000 0.317 508 G N 3.096 111.819 108.800 -0.128 0.000 2.415 508 G HA2 0.419 4.378 3.960 -0.001 0.000 0.269 508 G HA3 0.419 4.378 3.960 -0.001 0.000 0.269 508 G C -0.680 173.976 174.900 -0.407 0.000 1.209 508 G CA 0.103 44.773 45.100 -0.716 0.000 0.835 508 G HN 0.549 nan 8.290 nan 0.000 0.534 509 E N 0.861 120.789 120.200 -0.453 0.000 2.291 509 E HA 0.498 4.848 4.350 -0.001 0.000 0.276 509 E C -1.364 175.168 176.600 -0.113 0.000 0.896 509 E CA -0.698 55.604 56.400 -0.163 0.000 0.774 509 E CB 0.898 30.496 29.700 -0.170 0.000 1.227 509 E HN 0.239 nan 8.360 nan 0.000 0.413 510 F N 2.808 122.749 119.950 -0.015 0.000 2.370 510 F HA 0.358 4.885 4.527 -0.001 0.000 0.319 510 F C 1.308 177.125 175.800 0.030 0.000 1.129 510 F CA -0.349 57.671 58.000 0.034 0.000 1.109 510 F CB 0.630 39.658 39.000 0.047 0.000 1.262 510 F HN 0.531 nan 8.300 nan 0.000 0.534 511 N N 1.046 119.951 118.700 0.343 0.000 2.379 511 N HA 0.077 4.816 4.740 -0.001 0.000 0.260 511 N C 0.641 176.211 175.510 0.099 0.000 1.254 511 N CA -0.537 52.666 53.050 0.256 0.000 0.958 511 N CB 0.285 38.993 38.487 0.367 0.000 1.208 511 N HN 0.662 nan 8.380 nan 0.000 0.532 512 K N -0.779 119.652 120.400 0.052 0.000 2.063 512 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 512 K C 0.122 176.709 176.600 -0.023 0.000 1.048 512 K CA 1.660 57.959 56.287 0.020 0.000 0.928 512 K CB -0.101 32.354 32.500 -0.076 0.000 0.713 512 K HN 0.479 nan 8.250 nan 0.000 0.442 513 D N -0.706 119.675 120.400 -0.032 0.000 2.355 513 D HA 0.025 4.665 4.640 -0.001 0.000 0.218 513 D C 0.810 177.009 176.300 -0.169 0.000 1.004 513 D CA 1.047 55.018 54.000 -0.047 0.000 0.880 513 D CB 0.285 41.085 40.800 0.001 0.000 0.911 513 D HN 0.515 nan 8.370 nan 0.000 0.528 514 G N 1.194 109.773 108.800 -0.368 0.000 2.221 514 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.265 514 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.265 514 G C 1.035 175.933 174.900 -0.004 0.000 1.041 514 G CA 1.107 45.784 45.100 -0.706 0.000 0.807 514 G HN 0.418 nan 8.290 nan 0.000 0.502 515 T N -3.699 110.940 114.554 0.141 0.000 3.001 515 T HA 0.476 4.825 4.350 -0.001 0.000 0.251 515 T C 0.496 175.350 174.700 0.258 0.000 1.040 515 T CA 0.817 63.038 62.100 0.202 0.000 0.985 515 T CB 0.860 69.812 68.868 0.139 0.000 1.011 515 T HN 0.528 nan 8.240 nan 0.000 0.509 516 E N 0.216 120.585 120.200 0.283 0.000 2.331 516 E HA 0.628 4.977 4.350 -0.001 0.000 0.275 516 E C -1.991 174.645 176.600 0.060 0.000 0.895 516 E CA -0.946 55.582 56.400 0.213 0.000 0.753 516 E CB 3.317 33.193 29.700 0.294 0.000 1.216 516 E HN 0.054 nan 8.360 nan 0.000 0.434 517 V N 2.807 122.604 119.914 -0.195 0.000 2.588 517 V HA 0.519 4.639 4.120 -0.001 0.000 0.304 517 V C -1.634 174.308 176.094 -0.254 0.000 1.042 517 V CA -0.483 61.439 62.300 -0.630 0.000 0.877 517 V CB 0.773 31.683 31.823 -1.523 0.000 0.996 517 V HN 0.584 nan 8.190 nan 0.000 0.425 518 W N 5.514 126.433 121.300 -0.635 0.000 2.512 518 W HA 0.759 5.419 4.660 -0.001 0.000 0.335 518 W C -0.644 175.433 176.519 -0.736 0.000 1.088 518 W CA -1.079 55.965 57.345 -0.501 0.000 1.236 518 W CB 1.108 30.323 29.460 -0.408 0.000 1.307 518 W HN 0.384 nan 8.180 nan 0.000 0.567 519 F N 0.715 120.696 119.950 0.052 0.000 2.576 519 F HA 0.433 4.960 4.527 -0.001 0.000 0.313 519 F C 0.297 176.106 175.800 0.016 0.000 1.078 519 F CA -1.081 56.927 58.000 0.014 0.000 0.921 519 F CB 1.765 40.765 39.000 -0.001 0.000 1.232 519 F HN -0.042 nan 8.300 nan 0.000 0.459 520 S N 1.355 117.180 115.700 0.207 0.000 2.499 520 S HA 0.506 4.976 4.470 -0.001 0.000 0.279 520 S C -0.518 174.191 174.600 0.182 0.000 1.219 520 S CA -0.648 57.635 58.200 0.139 0.000 1.062 520 S CB 1.338 64.578 63.200 0.067 0.000 0.978 520 S HN 0.331 nan 8.310 nan 0.000 0.489 521 V N 4.699 124.702 119.914 0.147 0.000 2.240 521 V HA 0.167 4.286 4.120 -0.001 0.000 0.265 521 V C -0.590 175.632 176.094 0.214 0.000 1.073 521 V CA -0.700 61.686 62.300 0.144 0.000 0.857 521 V CB -0.247 31.620 31.823 0.074 0.000 1.114 521 V HN 0.890 nan 8.190 nan 0.000 0.469 522 W N 6.212 127.534 121.300 0.036 0.000 2.546 522 W HA 0.408 5.067 4.660 -0.001 0.000 0.323 522 W C -0.097 176.440 176.519 0.030 0.000 1.272 522 W CA -0.510 56.859 57.345 0.040 0.000 1.404 522 W CB 0.223 29.719 29.460 0.060 0.000 1.411 522 W HN 0.455 nan 8.180 nan 0.000 0.480 523 N N 2.797 121.636 118.700 0.232 0.000 2.531 523 N HA 0.591 5.330 4.740 -0.001 0.000 0.290 523 N C 0.056 175.599 175.510 0.055 0.000 1.257 523 N CA -0.317 52.753 53.050 0.034 0.000 0.863 523 N CB 1.554 40.065 38.487 0.041 0.000 1.320 523 N HN 0.484 nan 8.380 nan 0.000 0.538 524 G N 0.260 109.051 108.800 -0.014 0.000 2.647 524 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.234 524 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.234 524 G C 1.056 175.999 174.900 0.073 0.000 1.252 524 G CA -0.004 45.106 45.100 0.017 0.000 0.846 524 G HN 0.748 nan 8.290 nan 0.000 0.589 525 K N -0.439 120.011 120.400 0.084 0.000 2.148 525 K HA -0.070 4.249 4.320 -0.001 0.000 0.204 525 K C 0.380 177.012 176.600 0.053 0.000 1.050 525 K CA 1.576 57.913 56.287 0.083 0.000 0.942 525 K CB 0.124 32.672 32.500 0.081 0.000 0.724 525 K HN 0.373 nan 8.250 nan 0.000 0.446 526 D N 1.264 121.686 120.400 0.037 0.000 2.427 526 D HA 0.113 4.752 4.640 -0.001 0.000 0.224 526 D C -0.160 176.152 176.300 0.020 0.000 1.157 526 D CA 0.185 54.201 54.000 0.026 0.000 0.828 526 D CB 0.589 41.400 40.800 0.019 0.000 0.974 526 D HN 0.378 nan 8.370 nan 0.000 0.498 527 Q N 0.050 119.866 119.800 0.026 0.000 2.552 527 Q HA 0.342 4.681 4.340 -0.001 0.000 0.289 527 Q C -0.421 175.595 176.000 0.027 0.000 1.097 527 Q CA -0.838 54.976 55.803 0.018 0.000 0.812 527 Q CB 2.232 30.975 28.738 0.009 0.000 1.460 527 Q HN -0.038 nan 8.270 nan 0.000 0.452 528 E N 0.546 120.757 120.200 0.019 0.000 2.229 528 E HA 0.308 4.657 4.350 -0.001 0.000 0.283 528 E C -1.028 175.591 176.600 0.032 0.000 1.030 528 E CA 0.005 56.417 56.400 0.020 0.000 0.836 528 E CB 0.896 30.599 29.700 0.006 0.000 1.068 528 E HN 0.428 nan 8.360 nan 0.000 0.401 529 S N 1.540 117.266 115.700 0.044 0.000 2.759 529 S HA 0.948 5.418 4.470 -0.001 0.000 0.310 529 S C -1.062 173.557 174.600 0.031 0.000 1.123 529 S CA -0.361 57.878 58.200 0.064 0.000 0.959 529 S CB 1.810 65.076 63.200 0.110 0.000 1.172 529 S HN 0.735 nan 8.310 nan 0.000 0.539 530 A N 0.347 123.187 122.820 0.032 0.000 2.566 530 A HA 0.681 5.001 4.320 -0.001 0.000 0.290 530 A C -2.249 175.328 177.584 -0.012 0.000 1.071 530 A CA -0.680 51.349 52.037 -0.013 0.000 0.658 530 A CB 0.605 19.581 19.000 -0.040 0.000 1.285 530 A HN 0.600 nan 8.150 nan 0.000 0.427 531 L N 0.775 121.952 121.223 -0.077 0.000 2.341 531 L HA 0.674 5.014 4.340 -0.001 0.000 0.278 531 L C -0.962 175.788 176.870 -0.200 0.000 1.005 531 L CA -1.082 53.699 54.840 -0.098 0.000 0.818 531 L CB 1.890 43.867 42.059 -0.136 0.000 1.259 531 L HN 0.463 nan 8.230 nan 0.000 0.418 532 V N 3.815 123.656 119.914 -0.122 0.000 2.417 532 V HA 0.369 4.488 4.120 -0.001 0.000 0.291 532 V C -0.069 175.899 176.094 -0.210 0.000 1.024 532 V CA -0.627 61.596 62.300 -0.129 0.000 0.861 532 V CB 2.248 34.118 31.823 0.078 0.000 0.985 532 V HN 0.413 nan 8.190 nan 0.000 0.436 533 V N 6.104 125.762 119.914 -0.427 0.000 2.370 533 V HA 0.436 4.555 4.120 -0.001 0.000 0.279 533 V C -0.029 175.949 176.094 -0.193 0.000 1.029 533 V CA -0.501 61.495 62.300 -0.506 0.000 0.870 533 V CB 1.660 32.939 31.823 -0.907 0.000 0.984 533 V HN 0.598 nan 8.190 nan 0.000 0.451 534 V N 3.600 123.502 119.914 -0.020 0.000 2.483 534 V HA 0.336 4.456 4.120 -0.001 0.000 0.295 534 V C 0.041 176.181 176.094 0.077 0.000 1.035 534 V CA -0.656 61.700 62.300 0.093 0.000 0.896 534 V CB 1.933 33.935 31.823 0.298 0.000 0.986 534 V HN 0.879 nan 8.190 nan 0.000 0.447 535 D N 2.971 123.413 120.400 0.070 0.000 2.338 535 D HA 0.020 4.659 4.640 -0.001 0.000 0.255 535 D C 0.845 177.263 176.300 0.195 0.000 1.237 535 D CA 0.103 54.168 54.000 0.107 0.000 0.883 535 D CB 1.338 42.172 40.800 0.057 0.000 1.087 535 D HN 0.739 nan 8.370 nan 0.000 0.485 536 D N 3.357 123.916 120.400 0.265 0.000 2.218 536 D HA -0.147 4.492 4.640 -0.001 0.000 0.204 536 D C 1.435 178.002 176.300 0.445 0.000 0.976 536 D CA 1.318 55.577 54.000 0.432 0.000 0.853 536 D CB 0.403 41.523 40.800 0.533 0.000 0.939 536 D HN 0.364 nan 8.370 nan 0.000 0.481 537 K N -1.051 119.534 120.400 0.309 0.000 2.103 537 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 537 K C 2.017 178.768 176.600 0.252 0.000 1.052 537 K CA 1.544 58.000 56.287 0.282 0.000 0.945 537 K CB 0.045 32.653 32.500 0.180 0.000 0.722 537 K HN 0.258 nan 8.250 nan 0.000 0.443 538 T N -1.777 112.880 114.554 0.172 0.000 3.014 538 T HA 0.221 4.571 4.350 -0.001 0.000 0.250 538 T C 0.852 175.598 174.700 0.076 0.000 1.060 538 T CA -0.314 61.852 62.100 0.110 0.000 1.040 538 T CB -0.059 68.847 68.868 0.064 0.000 0.971 538 T HN 0.167 nan 8.240 nan 0.000 0.497 539 L N 0.543 121.822 121.223 0.093 0.000 4.040 539 L HA -0.173 4.166 4.340 -0.001 0.000 0.410 539 L C -0.271 176.709 176.870 0.184 0.000 1.187 539 L CA 0.473 55.371 54.840 0.097 0.000 0.956 539 L CB -1.979 40.027 42.059 -0.088 0.000 2.022 539 L HN 0.527 nan 8.230 nan 0.000 0.897 540 E N -0.035 120.209 120.200 0.072 0.000 2.249 540 E HA 0.552 4.901 4.350 -0.001 0.000 0.263 540 E C -0.291 176.082 176.600 -0.378 0.000 0.950 540 E CA -1.254 55.076 56.400 -0.118 0.000 0.827 540 E CB 2.201 31.825 29.700 -0.126 0.000 1.220 540 E HN 0.102 nan 8.360 nan 0.000 0.411 541 L N 2.167 122.794 121.223 -0.993 0.000 2.499 541 L HA 0.023 4.362 4.340 -0.001 0.000 0.273 541 L C 0.691 177.286 176.870 -0.459 0.000 1.195 541 L CA 0.698 54.962 54.840 -0.960 0.000 0.882 541 L CB 0.541 41.761 42.059 -1.399 0.000 1.133 541 L HN 0.466 nan 8.230 nan 0.000 0.483 542 K N 3.132 123.346 120.400 -0.309 0.000 2.225 542 K HA 0.170 4.489 4.320 -0.001 0.000 0.204 542 K C -0.458 176.017 176.600 -0.209 0.000 1.047 542 K CA 0.779 56.943 56.287 -0.206 0.000 0.970 542 K CB 0.028 32.444 32.500 -0.140 0.000 0.939 542 K HN 0.836 nan 8.250 nan 0.000 0.472 543 H N -1.341 117.445 119.070 -0.474 0.000 3.079 543 H HA 0.531 5.087 4.556 -0.001 0.000 0.356 543 H C -1.934 173.084 175.328 -0.516 0.000 1.221 543 H CA -0.825 54.896 56.048 -0.544 0.000 1.185 543 H CB 1.672 30.874 29.762 -0.933 0.000 1.882 543 H HN -0.137 nan 8.280 nan 0.000 0.543 544 V N 5.715 125.035 119.914 -0.989 0.000 2.448 544 V HA 0.351 4.470 4.120 -0.001 0.000 0.295 544 V C 0.030 175.661 176.094 -0.771 0.000 1.025 544 V CA -0.600 61.300 62.300 -0.667 0.000 0.859 544 V CB 1.315 32.899 31.823 -0.399 0.000 0.988 544 V HN 0.600 nan 8.190 nan 0.000 0.431 545 I N 5.267 125.562 120.570 -0.459 0.000 2.312 545 I HA 0.477 4.647 4.170 -0.001 0.000 0.290 545 I C 0.032 176.054 176.117 -0.159 0.000 1.008 545 I CA -0.274 60.872 61.300 -0.257 0.000 1.226 545 I CB 0.933 38.814 38.000 -0.198 0.000 1.371 545 I HN 0.506 nan 8.210 nan 0.000 0.468 546 K N 5.201 125.533 120.400 -0.114 0.000 2.422 546 K HA 0.531 4.850 4.320 -0.001 0.000 0.251 546 K C -1.435 175.145 176.600 -0.032 0.000 0.933 546 K CA -0.862 55.385 56.287 -0.067 0.000 0.798 546 K CB 2.698 35.153 32.500 -0.076 0.000 1.238 546 K HN 0.495 nan 8.250 nan 0.000 0.428 547 D N 1.364 121.756 120.400 -0.013 0.000 2.745 547 D HA 0.028 4.668 4.640 -0.001 0.000 0.221 547 D C 0.116 176.421 176.300 0.009 0.000 1.237 547 D CA -0.254 53.746 54.000 0.001 0.000 0.781 547 D CB 1.753 42.559 40.800 0.010 0.000 1.575 547 D HN 0.420 nan 8.370 nan 0.000 0.482 548 E N 1.488 121.694 120.200 0.010 0.000 2.209 548 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 548 E C 1.461 178.074 176.600 0.022 0.000 0.993 548 E CA 0.981 57.390 56.400 0.015 0.000 0.819 548 E CB 0.122 29.830 29.700 0.013 0.000 0.745 548 E HN 0.428 nan 8.360 nan 0.000 0.477 549 R N 0.024 120.538 120.500 0.024 0.000 2.236 549 R HA 0.035 4.375 4.340 -0.001 0.000 0.208 549 R C 0.919 177.240 176.300 0.035 0.000 1.036 549 R CA -0.095 56.023 56.100 0.030 0.000 1.001 549 R CB -0.095 30.224 30.300 0.032 0.000 0.896 549 R HN -0.034 nan 8.270 nan 0.000 0.464 550 L N 2.210 123.452 121.223 0.032 0.000 2.388 550 L HA 0.062 4.401 4.340 -0.001 0.000 0.252 550 L C -0.711 176.187 176.870 0.047 0.000 1.357 550 L CA 0.291 55.153 54.840 0.037 0.000 1.214 550 L CB 0.195 42.271 42.059 0.028 0.000 1.392 550 L HN -0.187 nan 8.230 nan 0.000 0.432 551 V N 2.766 122.710 119.914 0.051 0.000 2.461 551 V HA 0.189 4.308 4.120 -0.001 0.000 0.275 551 V C 0.909 177.051 176.094 0.080 0.000 1.047 551 V CA 0.021 62.361 62.300 0.066 0.000 0.955 551 V CB 0.850 32.706 31.823 0.056 0.000 0.988 551 V HN 0.853 nan 8.190 nan 0.000 0.471 552 T N 4.308 118.946 114.554 0.140 0.000 3.549 552 T HA -0.123 4.227 4.350 -0.001 0.000 0.398 552 T C -1.662 173.036 174.700 -0.002 0.000 0.766 552 T CA -0.016 62.208 62.100 0.208 0.000 2.007 552 T CB -1.754 67.270 68.868 0.260 0.000 1.727 552 T HN 0.585 nan 8.240 nan 0.000 0.693 553 P HA 0.244 nan 4.420 nan 0.000 0.271 553 P C 0.936 178.100 177.300 -0.226 0.000 1.220 553 P CA 0.137 63.195 63.100 -0.069 0.000 0.768 553 P CB 1.583 33.290 31.700 0.011 0.000 0.848 554 T N 0.596 114.965 114.554 -0.307 0.000 2.614 554 T HA 0.366 4.716 4.350 -0.001 0.000 0.163 554 T C 0.986 175.507 174.700 -0.299 0.000 0.806 554 T CA 0.092 61.932 62.100 -0.434 0.000 1.020 554 T CB -0.773 67.663 68.868 -0.720 0.000 2.539 554 T HN 0.334 nan 8.240 nan 0.000 0.380 555 G N 2.122 110.742 108.800 -0.300 0.000 2.380 555 G HA2 0.470 4.430 3.960 -0.001 0.000 0.242 555 G HA3 0.470 4.430 3.960 -0.001 0.000 0.242 555 G C -0.912 173.715 174.900 -0.455 0.000 1.298 555 G CA -0.328 44.542 45.100 -0.383 0.000 0.878 555 G HN 0.673 nan 8.290 nan 0.000 0.542 556 K N 0.815 120.725 120.400 -0.817 0.000 2.378 556 K HA 0.519 4.839 4.320 -0.001 0.000 0.252 556 K C -1.538 174.421 176.600 -1.068 0.000 0.931 556 K CA -0.505 55.448 56.287 -0.558 0.000 0.794 556 K CB 2.290 34.675 32.500 -0.192 0.000 1.181 556 K HN 0.360 nan 8.250 nan 0.000 0.425 557 F N 1.445 121.370 119.950 -0.042 0.000 2.612 557 F HA 0.236 4.763 4.527 -0.001 0.000 0.332 557 F C 0.169 175.778 175.800 -0.318 0.000 1.167 557 F CA -0.999 56.918 58.000 -0.138 0.000 0.970 557 F CB 1.399 40.357 39.000 -0.070 0.000 1.234 557 F HN 0.445 nan 8.300 nan 0.000 0.453 558 N N 2.497 120.912 118.700 -0.475 0.000 2.497 558 N HA 0.094 4.833 4.740 -0.001 0.000 0.268 558 N C 0.981 176.349 175.510 -0.237 0.000 1.171 558 N CA 0.025 52.596 53.050 -0.800 0.000 0.948 558 N CB 1.547 39.445 38.487 -0.981 0.000 1.069 558 N HN 0.465 nan 8.380 nan 0.000 0.460 559 V N 4.651 124.475 119.914 -0.150 0.000 2.231 559 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 559 V C 1.812 177.941 176.094 0.058 0.000 1.054 559 V CA 1.816 64.123 62.300 0.011 0.000 1.015 559 V CB -1.087 30.775 31.823 0.066 0.000 0.638 559 V HN 0.752 nan 8.190 nan 0.000 0.444 560 Y N 1.668 121.955 120.300 -0.022 0.000 2.145 560 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 560 Y C 2.523 178.460 175.900 0.060 0.000 1.145 560 Y CA 2.110 60.228 58.100 0.031 0.000 1.148 560 Y CB -0.308 38.174 38.460 0.036 0.000 0.981 560 Y HN 0.317 nan 8.280 nan 0.000 0.507 561 N N -0.953 117.835 118.700 0.148 0.000 2.309 561 N HA -0.118 4.621 4.740 -0.001 0.000 0.182 561 N C 1.613 177.195 175.510 0.120 0.000 1.018 561 N CA 1.711 54.848 53.050 0.145 0.000 0.876 561 N CB -0.493 38.125 38.487 0.219 0.000 0.972 561 N HN 0.393 nan 8.380 nan 0.000 0.434 562 T N 1.526 116.133 114.554 0.088 0.000 2.894 562 T HA 0.012 4.362 4.350 -0.001 0.000 0.258 562 T C 2.020 176.750 174.700 0.050 0.000 1.043 562 T CA 0.766 62.931 62.100 0.108 0.000 1.141 562 T CB -0.067 68.858 68.868 0.094 0.000 0.873 562 T HN 0.369 nan 8.240 nan 0.000 0.449 563 M N 1.975 121.567 119.600 -0.013 0.000 2.296 563 M HA 0.003 4.483 4.480 -0.001 0.000 0.265 563 M C 1.978 178.242 176.300 -0.059 0.000 1.064 563 M CA 1.761 57.039 55.300 -0.036 0.000 1.109 563 M CB -0.992 31.579 32.600 -0.049 0.000 1.396 563 M HN 0.211 nan 8.290 nan 0.000 0.430 564 T N -4.131 110.342 114.554 -0.134 0.000 3.054 564 T HA 0.168 4.517 4.350 -0.001 0.000 0.255 564 T C -0.068 174.651 174.700 0.031 0.000 1.035 564 T CA -0.075 61.970 62.100 -0.092 0.000 0.941 564 T CB -0.243 68.422 68.868 -0.339 0.000 1.026 564 T HN 0.442 nan 8.240 nan 0.000 0.533 565 D N 1.378 121.820 120.400 0.069 0.000 2.697 565 D HA -0.109 4.530 4.640 -0.001 0.000 0.238 565 D C -0.714 175.524 176.300 -0.103 0.000 1.152 565 D CA 0.905 54.964 54.000 0.098 0.000 0.666 565 D CB -1.889 38.863 40.800 -0.081 0.000 1.037 565 D HN 0.427 nan 8.370 nan 0.000 0.423 566 T N 1.254 115.821 114.554 0.021 0.000 2.811 566 T HA 0.499 4.848 4.350 -0.001 0.000 0.309 566 T C -0.031 174.713 174.700 0.074 0.000 1.005 566 T CA -0.429 61.639 62.100 -0.053 0.000 0.955 566 T CB 0.287 69.164 68.868 0.015 0.000 0.970 566 T HN 0.274 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.374 120.300 0.124 0.000 2.660 567 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.194 58.100 0.156 0.000 1.940 567 Y CB 0.000 38.595 38.460 0.225 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758