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 3lsh_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWACAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.245 176.300 -0.092 0.000 1.140 43 M CA 0.000 55.229 55.300 -0.119 0.000 0.988 43 M CB 0.000 32.284 32.600 -0.527 0.000 1.302 44 D N 3.660 124.061 120.400 0.001 0.000 2.390 44 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 44 D C 0.910 177.167 176.300 -0.072 0.000 1.189 44 D CA 0.146 54.060 54.000 -0.144 0.000 0.887 44 D CB 0.788 41.298 40.800 -0.484 0.000 1.198 44 D HN 0.660 nan 8.370 nan 0.000 0.444 45 I N -0.401 120.111 120.570 -0.098 0.000 3.860 45 I HA 0.053 4.223 4.170 -0.000 0.000 0.319 45 I C 0.554 176.674 176.117 0.006 0.000 1.279 45 I CA 0.276 61.575 61.300 -0.001 0.000 1.220 45 I CB -0.256 37.754 38.000 0.016 0.000 1.027 45 I HN 0.073 nan 8.210 nan 0.000 0.428 46 K N 0.598 120.868 120.400 -0.216 0.000 2.463 46 K HA 0.560 4.880 4.320 -0.000 0.000 0.255 46 K C -1.714 174.607 176.600 -0.465 0.000 0.942 46 K CA -0.467 55.706 56.287 -0.189 0.000 0.814 46 K CB 0.905 33.324 32.500 -0.136 0.000 1.122 46 K HN -0.069 nan 8.250 nan 0.000 0.425 47 Y N 1.071 121.355 120.300 -0.026 0.000 2.609 47 Y HA 0.272 4.822 4.550 -0.000 0.000 0.342 47 Y C 0.672 176.539 175.900 -0.054 0.000 1.058 47 Y CA -0.824 57.251 58.100 -0.041 0.000 1.055 47 Y CB 1.844 40.282 38.460 -0.037 0.000 1.292 47 Y HN 0.582 nan 8.280 nan 0.000 0.476 48 D N 0.133 120.608 120.400 0.125 0.000 2.103 48 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 48 D C -0.245 176.046 176.300 -0.014 0.000 0.978 48 D CA 1.530 55.587 54.000 0.094 0.000 0.829 48 D CB 0.224 41.153 40.800 0.215 0.000 0.981 48 D HN 0.116 nan 8.370 nan 0.000 0.464 49 V N 0.994 120.895 119.914 -0.021 0.000 2.709 49 V HA 0.414 4.534 4.120 -0.000 0.000 0.308 49 V C -0.298 175.700 176.094 -0.161 0.000 1.062 49 V CA -1.040 61.160 62.300 -0.167 0.000 0.901 49 V CB 2.504 34.210 31.823 -0.195 0.000 1.003 49 V HN 0.006 nan 8.190 nan 0.000 0.425 50 V N 2.665 122.447 119.914 -0.221 0.000 2.604 50 V HA 0.750 4.870 4.120 -0.000 0.000 0.305 50 V C -0.718 175.324 176.094 -0.087 0.000 1.043 50 V CA -0.622 61.605 62.300 -0.122 0.000 0.888 50 V CB 1.811 33.640 31.823 0.009 0.000 0.995 50 V HN 0.697 nan 8.190 nan 0.000 0.429 51 I N 4.129 124.671 120.570 -0.046 0.000 2.436 51 I HA 0.487 4.656 4.170 -0.000 0.000 0.289 51 I C -0.621 175.516 176.117 0.034 0.000 1.010 51 I CA -0.974 60.286 61.300 -0.065 0.000 1.098 51 I CB 2.232 40.175 38.000 -0.094 0.000 1.266 51 I HN 0.427 nan 8.210 nan 0.000 0.434 52 V N 5.382 125.302 119.914 0.010 0.000 2.364 52 V HA 0.773 4.893 4.120 -0.000 0.000 0.272 52 V C 0.510 176.607 176.094 0.006 0.000 1.036 52 V CA -0.204 62.123 62.300 0.044 0.000 0.880 52 V CB 0.608 32.435 31.823 0.007 0.000 0.991 52 V HN 1.074 nan 8.190 nan 0.000 0.460 53 G N 3.997 112.813 108.800 0.027 0.000 3.069 53 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 53 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 53 G C -0.045 174.862 174.900 0.011 0.000 1.161 53 G CA -0.239 44.866 45.100 0.009 0.000 0.804 53 G HN 1.310 nan 8.290 nan 0.000 0.608 54 S N 1.054 116.761 115.700 0.011 0.000 2.601 54 S HA 0.607 5.077 4.470 -0.000 0.000 0.244 54 S C 1.314 175.914 174.600 0.000 0.000 1.001 54 S CA 0.734 58.946 58.200 0.021 0.000 0.984 54 S CB 0.659 63.880 63.200 0.036 0.000 0.842 54 S HN 1.919 nan 8.310 nan 0.000 0.474 55 G N 2.719 111.510 108.800 -0.016 0.000 2.570 55 G HA2 0.390 4.350 3.960 -0.000 0.000 0.276 55 G HA3 0.390 4.350 3.960 -0.000 0.000 0.276 55 G C -1.205 173.669 174.900 -0.043 0.000 1.346 55 G CA -1.210 43.862 45.100 -0.046 0.000 1.034 55 G HN 0.246 nan 8.290 nan 0.000 0.512 56 P HA -0.037 nan 4.420 nan 0.000 0.221 56 P C 1.719 178.973 177.300 -0.075 0.000 1.150 56 P CA 0.682 63.736 63.100 -0.077 0.000 0.800 56 P CB 0.196 31.865 31.700 -0.052 0.000 0.787 57 I N 0.088 120.645 120.570 -0.021 0.000 2.333 57 I HA -0.032 4.137 4.170 -0.000 0.000 0.246 57 I C 2.677 178.857 176.117 0.104 0.000 1.106 57 I CA 1.526 62.845 61.300 0.032 0.000 1.411 57 I CB -2.249 35.795 38.000 0.073 0.000 1.082 57 I HN -0.005 nan 8.210 nan 0.000 0.420 58 G N 0.310 109.148 108.800 0.062 0.000 2.440 58 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 58 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 58 G C 1.775 176.680 174.900 0.008 0.000 1.154 58 G CA 0.963 46.092 45.100 0.047 0.000 0.767 58 G HN 0.398 nan 8.290 nan 0.000 0.552 59 C N 0.610 119.890 119.300 -0.032 0.000 2.432 59 C HA 0.033 4.493 4.460 -0.000 0.000 0.280 59 C C 3.190 178.076 174.990 -0.172 0.000 1.353 59 C CA 1.388 60.350 59.018 -0.093 0.000 1.766 59 C CB -0.946 26.782 27.740 -0.020 0.000 1.924 59 C HN 0.449 nan 8.230 nan 0.000 0.509 60 T N -0.187 114.292 114.554 -0.125 0.000 2.746 60 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 60 T C 1.458 176.033 174.700 -0.208 0.000 1.039 60 T CA 1.594 63.602 62.100 -0.153 0.000 1.142 60 T CB -0.377 68.406 68.868 -0.140 0.000 0.866 60 T HN 0.570 nan 8.240 nan 0.000 0.444 61 Y N 1.351 121.528 120.300 -0.206 0.000 2.242 61 Y HA 0.011 4.561 4.550 -0.000 0.000 0.291 61 Y C 2.686 178.386 175.900 -0.333 0.000 1.137 61 Y CA 0.818 58.776 58.100 -0.237 0.000 1.181 61 Y CB -0.596 37.740 38.460 -0.207 0.000 0.989 61 Y HN 0.194 nan 8.280 nan 0.000 0.527 62 A N 0.163 122.806 122.820 -0.295 0.000 1.858 62 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 62 A C 2.281 179.312 177.584 -0.922 0.000 1.190 62 A CA 1.800 53.421 52.037 -0.693 0.000 0.617 62 A CB -0.748 17.611 19.000 -1.068 0.000 0.827 62 A HN 0.409 nan 8.150 nan 0.000 0.443 63 R N -0.458 119.569 120.500 -0.789 0.000 2.083 63 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 63 R C 2.036 178.154 176.300 -0.304 0.000 1.137 63 R CA 1.806 57.620 56.100 -0.476 0.000 0.951 63 R CB -0.217 29.848 30.300 -0.390 0.000 0.851 63 R HN 0.562 nan 8.270 nan 0.000 0.434 64 E N 0.426 120.473 120.200 -0.255 0.000 2.047 64 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 64 E C 2.150 178.679 176.600 -0.118 0.000 0.987 64 E CA 1.203 57.513 56.400 -0.150 0.000 0.799 64 E CB -0.127 29.482 29.700 -0.152 0.000 0.752 64 E HN 0.413 nan 8.360 nan 0.000 0.449 65 L N 0.447 121.572 121.223 -0.163 0.000 2.209 65 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 65 L C 2.543 179.444 176.870 0.053 0.000 1.094 65 L CA 0.289 55.072 54.840 -0.095 0.000 0.790 65 L CB -0.338 41.570 42.059 -0.250 0.000 0.932 65 L HN -0.069 nan 8.230 nan 0.000 0.447 66 V N 0.640 120.514 119.914 -0.068 0.000 2.343 66 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 66 V C 2.651 178.782 176.094 0.062 0.000 1.051 66 V CA 2.040 64.347 62.300 0.012 0.000 1.036 66 V CB -1.256 30.513 31.823 -0.091 0.000 0.654 66 V HN 0.560 nan 8.190 nan 0.000 0.451 67 G N -0.393 108.417 108.800 0.017 0.000 2.432 67 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 67 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 67 G C 1.461 176.399 174.900 0.064 0.000 1.135 67 G CA 0.837 45.960 45.100 0.038 0.000 0.767 67 G HN 0.639 nan 8.290 nan 0.000 0.550 68 A N -0.534 122.350 122.820 0.107 0.000 2.278 68 A HA 0.498 4.818 4.320 -0.000 0.000 0.212 68 A C 1.858 179.508 177.584 0.109 0.000 1.213 68 A CA 1.191 53.314 52.037 0.143 0.000 0.840 68 A CB -0.361 18.779 19.000 0.234 0.000 0.866 68 A HN 1.546 nan 8.150 nan 0.000 0.489 69 G N -2.354 106.511 108.800 0.109 0.000 2.179 69 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 69 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 69 G C -0.056 174.830 174.900 -0.023 0.000 0.990 69 G CA -0.016 45.103 45.100 0.032 0.000 0.646 69 G HN 0.357 nan 8.290 nan 0.000 0.517 70 Y N 0.717 121.030 120.300 0.021 0.000 2.397 70 Y HA 0.443 4.993 4.550 -0.000 0.000 0.335 70 Y C 1.103 177.009 175.900 0.011 0.000 1.213 70 Y CA 0.070 58.175 58.100 0.009 0.000 1.391 70 Y CB 0.730 39.181 38.460 -0.015 0.000 1.293 70 Y HN 0.091 nan 8.280 nan 0.000 0.557 71 K N 2.755 123.232 120.400 0.129 0.000 2.310 71 K HA 0.417 4.737 4.320 -0.000 0.000 0.290 71 K C -1.538 175.161 176.600 0.164 0.000 1.077 71 K CA -0.133 56.213 56.287 0.097 0.000 0.922 71 K CB 0.049 32.562 32.500 0.021 0.000 1.057 71 K HN 0.489 nan 8.250 nan 0.000 0.479 72 V N 3.137 123.131 119.914 0.133 0.000 2.555 72 V HA 0.650 4.770 4.120 -0.000 0.000 0.302 72 V C -0.411 175.575 176.094 -0.181 0.000 1.038 72 V CA -0.897 61.425 62.300 0.037 0.000 0.887 72 V CB 1.525 33.413 31.823 0.109 0.000 0.991 72 V HN 0.904 nan 8.190 nan 0.000 0.434 73 A N 5.356 127.914 122.820 -0.437 0.000 2.374 73 A HA 0.960 5.280 4.320 -0.000 0.000 0.317 73 A C -0.774 176.428 177.584 -0.635 0.000 1.094 73 A CA -0.649 50.900 52.037 -0.813 0.000 0.765 73 A CB 1.793 19.988 19.000 -1.342 0.000 1.268 73 A HN 0.921 nan 8.150 nan 0.000 0.438 74 M N 2.151 121.272 119.600 -0.798 0.000 2.327 74 M HA 0.730 5.210 4.480 -0.000 0.000 0.298 74 M C -2.242 173.707 176.300 -0.584 0.000 1.065 74 M CA -0.394 54.643 55.300 -0.438 0.000 0.916 74 M CB 1.146 33.685 32.600 -0.101 0.000 1.630 74 M HN 0.581 nan 8.290 nan 0.000 0.442 75 F N 2.651 122.574 119.950 -0.045 0.000 2.482 75 F HA 0.545 5.072 4.527 -0.000 0.000 0.331 75 F C -0.137 175.646 175.800 -0.029 0.000 1.115 75 F CA -0.501 57.492 58.000 -0.011 0.000 0.955 75 F CB 1.413 40.392 39.000 -0.035 0.000 1.136 75 F HN 0.465 nan 8.300 nan 0.000 0.452 76 D N 3.040 123.517 120.400 0.128 0.000 2.780 76 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 76 D C 0.584 176.898 176.300 0.023 0.000 1.135 76 D CA -0.353 53.677 54.000 0.050 0.000 0.859 76 D CB 2.494 43.304 40.800 0.018 0.000 1.530 76 D HN 0.649 nan 8.370 nan 0.000 0.493 77 I N 1.889 122.427 120.570 -0.053 0.000 2.614 77 I HA 0.039 4.209 4.170 -0.000 0.000 0.258 77 I C 1.065 177.130 176.117 -0.086 0.000 1.189 77 I CA 0.783 62.007 61.300 -0.128 0.000 1.462 77 I CB 0.176 37.991 38.000 -0.308 0.000 1.092 77 I HN 0.329 nan 8.210 nan 0.000 0.442 78 G N -0.184 108.586 108.800 -0.050 0.000 2.568 78 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 78 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 78 G C -0.987 173.920 174.900 0.012 0.000 1.347 78 G CA -0.435 44.661 45.100 -0.006 0.000 1.039 78 G HN 0.287 nan 8.290 nan 0.000 0.523 79 E N -1.425 118.788 120.200 0.022 0.000 2.320 79 E HA 0.383 4.733 4.350 -0.000 0.000 0.264 79 E C -0.561 176.052 176.600 0.023 0.000 0.923 79 E CA -0.753 55.662 56.400 0.025 0.000 0.796 79 E CB 2.609 32.329 29.700 0.033 0.000 1.262 79 E HN 0.269 nan 8.360 nan 0.000 0.428 80 I N 2.912 123.495 120.570 0.021 0.000 2.505 80 I HA -0.020 4.150 4.170 -0.000 0.000 0.287 80 I C 0.295 176.432 176.117 0.032 0.000 1.104 80 I CA 0.378 61.691 61.300 0.023 0.000 1.387 80 I CB 0.030 38.040 38.000 0.016 0.000 1.404 80 I HN 0.611 nan 8.210 nan 0.000 0.528 81 D N 2.221 122.645 120.400 0.040 0.000 3.203 81 D HA -0.057 4.583 4.640 -0.000 0.000 0.249 81 D C 1.282 177.623 176.300 0.068 0.000 1.522 81 D CA 0.090 54.122 54.000 0.053 0.000 1.248 81 D CB -0.470 40.363 40.800 0.055 0.000 1.126 81 D HN 0.296 nan 8.370 nan 0.000 0.326 82 S N 0.553 116.303 115.700 0.083 0.000 2.503 82 S HA 0.064 4.534 4.470 -0.000 0.000 0.350 82 S C 1.190 175.850 174.600 0.101 0.000 1.001 82 S CA 1.487 59.750 58.200 0.105 0.000 1.095 82 S CB -1.540 61.717 63.200 0.094 0.000 0.616 82 S HN 1.047 nan 8.310 nan 0.000 0.522 83 G N -0.565 108.283 108.800 0.080 0.000 2.631 83 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.504 83 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.504 83 G C 0.112 175.041 174.900 0.048 0.000 1.306 83 G CA -0.315 44.827 45.100 0.070 0.000 0.897 83 G HN 0.296 nan 8.290 nan 0.000 0.520 84 L N -0.012 121.234 121.223 0.038 0.000 2.478 84 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 84 L C 1.467 178.345 176.870 0.012 0.000 1.140 84 L CA 0.817 55.669 54.840 0.019 0.000 0.842 84 L CB -0.287 41.778 42.059 0.011 0.000 0.953 84 L HN 0.335 nan 8.230 nan 0.000 0.452 85 K N 1.755 122.171 120.400 0.026 0.000 2.250 85 K HA 0.306 4.626 4.320 -0.000 0.000 0.285 85 K C -0.270 176.344 176.600 0.023 0.000 1.097 85 K CA -0.193 56.105 56.287 0.019 0.000 0.913 85 K CB 0.763 33.287 32.500 0.039 0.000 1.179 85 K HN 0.088 nan 8.250 nan 0.000 0.462 86 I N 2.112 122.681 120.570 -0.002 0.000 2.598 86 I HA -0.052 4.118 4.170 -0.000 0.000 0.284 86 I C 1.334 177.459 176.117 0.014 0.000 1.140 86 I CA 0.680 61.983 61.300 0.005 0.000 1.420 86 I CB 0.313 38.308 38.000 -0.008 0.000 1.387 86 I HN 0.953 nan 8.210 nan 0.000 0.553 87 G N 4.343 113.159 108.800 0.028 0.000 2.160 87 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.251 87 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.251 87 G C 0.308 175.240 174.900 0.054 0.000 1.008 87 G CA 0.085 45.202 45.100 0.028 0.000 0.724 87 G HN 0.970 nan 8.290 nan 0.000 0.514 88 A N -0.439 122.431 122.820 0.082 0.000 2.272 88 A HA 0.637 4.957 4.320 -0.000 0.000 0.275 88 A C 0.571 178.266 177.584 0.184 0.000 1.096 88 A CA -0.333 51.790 52.037 0.142 0.000 0.822 88 A CB 0.331 19.417 19.000 0.144 0.000 1.088 88 A HN 0.616 nan 8.150 nan 0.000 0.495 89 H N 0.409 119.597 119.070 0.197 0.000 2.803 89 H HA 0.123 4.679 4.556 -0.000 0.000 0.330 89 H C 0.727 176.173 175.328 0.197 0.000 1.057 89 H CA 0.612 56.792 56.048 0.219 0.000 1.458 89 H CB 0.899 30.812 29.762 0.251 0.000 1.470 89 H HN 0.693 nan 8.280 nan 0.000 0.560 90 K N 3.345 123.929 120.400 0.306 0.000 2.283 90 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 90 K C 1.714 178.551 176.600 0.395 0.000 1.048 90 K CA 0.661 57.186 56.287 0.396 0.000 0.948 90 K CB 0.319 33.092 32.500 0.454 0.000 0.742 90 K HN 0.459 nan 8.250 nan 0.000 0.458 91 K N 0.889 121.424 120.400 0.225 0.000 2.432 91 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 91 K C 0.387 177.020 176.600 0.054 0.000 1.038 91 K CA 0.380 56.472 56.287 -0.325 0.000 0.986 91 K CB 0.184 32.139 32.500 -0.909 0.000 0.782 91 K HN 0.042 nan 8.250 nan 0.000 0.485 92 N N 1.931 120.762 118.700 0.218 0.000 2.509 92 N HA -0.038 4.702 4.740 -0.000 0.000 0.239 92 N C -0.540 175.219 175.510 0.416 0.000 1.215 92 N CA 0.376 53.592 53.050 0.276 0.000 0.882 92 N CB 0.280 38.956 38.487 0.314 0.000 1.189 92 N HN 0.221 nan 8.380 nan 0.000 0.490 93 T N -4.472 110.306 114.554 0.374 0.000 2.888 93 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 93 T C 1.511 176.416 174.700 0.342 0.000 1.017 93 T CA -0.814 61.476 62.100 0.317 0.000 1.022 93 T CB 1.691 70.686 68.868 0.211 0.000 1.013 93 T HN -0.184 nan 8.240 nan 0.000 0.465 94 V N 1.331 121.401 119.914 0.260 0.000 2.380 94 V HA -0.141 3.979 4.120 -0.000 0.000 0.251 94 V C 2.788 178.953 176.094 0.119 0.000 1.063 94 V CA 2.391 64.820 62.300 0.215 0.000 1.055 94 V CB -1.011 30.856 31.823 0.072 0.000 0.657 94 V HN 1.027 nan 8.190 nan 0.000 0.455 95 E N -0.565 119.646 120.200 0.018 0.000 2.072 95 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 95 E C 2.026 178.554 176.600 -0.120 0.000 0.985 95 E CA 1.440 57.786 56.400 -0.090 0.000 0.801 95 E CB -0.317 29.268 29.700 -0.191 0.000 0.750 95 E HN 0.652 nan 8.360 nan 0.000 0.452 96 Y N 0.860 121.231 120.300 0.118 0.000 2.200 96 Y HA -0.075 4.475 4.550 -0.000 0.000 0.290 96 Y C 2.223 178.150 175.900 0.045 0.000 1.137 96 Y CA 1.435 59.594 58.100 0.099 0.000 1.163 96 Y CB -0.379 38.141 38.460 0.100 0.000 0.988 96 Y HN 0.168 nan 8.280 nan 0.000 0.518 97 Q N -0.158 119.748 119.800 0.177 0.000 2.369 97 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 97 Q C 1.447 177.508 176.000 0.100 0.000 0.963 97 Q CA 0.865 56.731 55.803 0.105 0.000 0.894 97 Q CB -0.049 28.716 28.738 0.046 0.000 0.965 97 Q HN 0.453 nan 8.270 nan 0.000 0.475 98 K N 0.156 120.613 120.400 0.095 0.000 2.404 98 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 98 K C 0.128 176.765 176.600 0.061 0.000 1.023 98 K CA 0.167 56.493 56.287 0.066 0.000 1.094 98 K CB 0.547 33.074 32.500 0.044 0.000 0.841 98 K HN 0.073 nan 8.250 nan 0.000 0.523 99 N N 1.029 119.785 118.700 0.092 0.000 2.673 99 N HA 0.041 4.781 4.740 -0.000 0.000 0.265 99 N C -0.029 175.583 175.510 0.169 0.000 1.709 99 N CA 0.044 53.158 53.050 0.107 0.000 0.792 99 N CB 0.930 39.474 38.487 0.094 0.000 1.286 99 N HN -0.012 nan 8.380 nan 0.000 0.506 100 I N 0.890 121.533 120.570 0.122 0.000 2.493 100 I HA -0.132 4.038 4.170 -0.000 0.000 0.254 100 I C 1.445 177.626 176.117 0.107 0.000 1.160 100 I CA 1.445 62.810 61.300 0.107 0.000 1.445 100 I CB 0.138 38.152 38.000 0.023 0.000 1.086 100 I HN 0.113 nan 8.210 nan 0.000 0.433 101 D N 0.442 120.895 120.400 0.089 0.000 2.219 101 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 101 D C 1.962 178.314 176.300 0.087 0.000 0.970 101 D CA 0.708 54.749 54.000 0.067 0.000 0.851 101 D CB -0.021 40.810 40.800 0.053 0.000 0.943 101 D HN 0.226 nan 8.370 nan 0.000 0.488 102 K N -0.090 120.399 120.400 0.148 0.000 2.283 102 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 102 K C 1.759 178.442 176.600 0.137 0.000 1.048 102 K CA 0.081 56.471 56.287 0.171 0.000 0.948 102 K CB -0.536 32.125 32.500 0.268 0.000 0.742 102 K HN 0.230 nan 8.250 nan 0.000 0.458 103 F N 1.527 121.442 119.950 -0.059 0.000 2.365 103 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 103 F C 1.883 177.548 175.800 -0.225 0.000 1.090 103 F CA 0.398 58.221 58.000 -0.295 0.000 1.408 103 F CB -0.071 38.721 39.000 -0.347 0.000 1.060 103 F HN -0.290 nan 8.300 nan 0.000 0.534 104 V N 0.552 120.396 119.914 -0.116 0.000 2.324 104 V HA -0.395 3.725 4.120 -0.000 0.000 0.250 104 V C 1.863 177.819 176.094 -0.231 0.000 1.060 104 V CA 2.537 64.733 62.300 -0.173 0.000 1.042 104 V CB -0.926 30.845 31.823 -0.087 0.000 0.650 104 V HN 0.395 nan 8.190 nan 0.000 0.450 105 N N -0.224 118.370 118.700 -0.176 0.000 2.188 105 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 105 N C 1.670 177.039 175.510 -0.234 0.000 1.018 105 N CA 1.297 54.258 53.050 -0.147 0.000 0.858 105 N CB -0.278 38.173 38.487 -0.059 0.000 0.989 105 N HN 0.332 nan 8.380 nan 0.000 0.426 106 V N 1.477 121.153 119.914 -0.397 0.000 2.287 106 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 106 V C 2.067 177.846 176.094 -0.525 0.000 1.053 106 V CA 1.484 63.481 62.300 -0.505 0.000 1.027 106 V CB -0.541 30.730 31.823 -0.919 0.000 0.646 106 V HN 0.325 nan 8.190 nan 0.000 0.447 107 I N -0.427 119.732 120.570 -0.685 0.000 2.202 107 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 107 I C 2.725 178.616 176.117 -0.377 0.000 1.091 107 I CA 1.602 62.507 61.300 -0.658 0.000 1.368 107 I CB -0.456 37.193 38.000 -0.585 0.000 1.058 107 I HN 0.356 nan 8.210 nan 0.000 0.410 108 Q N 0.524 120.170 119.800 -0.257 0.000 2.135 108 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 108 Q C 2.308 178.246 176.000 -0.103 0.000 0.981 108 Q CA 1.692 57.413 55.803 -0.138 0.000 0.856 108 Q CB -0.442 28.238 28.738 -0.097 0.000 0.902 108 Q HN 0.651 nan 8.270 nan 0.000 0.425 109 G N 0.101 108.830 108.800 -0.119 0.000 2.443 109 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 109 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 109 G C 1.340 176.219 174.900 -0.034 0.000 1.131 109 G CA 0.583 45.644 45.100 -0.064 0.000 0.775 109 G HN 0.191 nan 8.290 nan 0.000 0.547 110 Q N -0.731 119.038 119.800 -0.052 0.000 2.396 110 Q HA 0.308 4.648 4.340 -0.000 0.000 0.209 110 Q C 0.763 176.807 176.000 0.074 0.000 0.906 110 Q CA -0.108 55.716 55.803 0.037 0.000 0.927 110 Q CB 0.029 28.838 28.738 0.119 0.000 1.069 110 Q HN 0.327 nan 8.270 nan 0.000 0.523 111 L N 2.081 123.317 121.223 0.022 0.000 2.278 111 L HA 0.309 4.649 4.340 -0.000 0.000 0.287 111 L C -0.573 176.334 176.870 0.062 0.000 1.072 111 L CA -0.272 54.603 54.840 0.058 0.000 0.819 111 L CB 0.744 42.814 42.059 0.018 0.000 1.176 111 L HN 0.158 nan 8.230 nan 0.000 0.435 112 M N 2.337 121.993 119.600 0.095 0.000 2.167 112 M HA 0.284 4.764 4.480 -0.000 0.000 0.333 112 M C 0.045 176.404 176.300 0.099 0.000 1.030 112 M CA -0.439 54.916 55.300 0.093 0.000 0.963 112 M CB 1.372 34.043 32.600 0.118 0.000 1.589 112 M HN 0.360 nan 8.290 nan 0.000 0.431 113 S N 1.785 117.529 115.700 0.074 0.000 2.558 113 S HA 0.117 4.587 4.470 -0.000 0.000 0.293 113 S C 1.587 176.237 174.600 0.084 0.000 1.292 113 S CA -0.420 57.821 58.200 0.068 0.000 1.063 113 S CB 0.773 63.999 63.200 0.043 0.000 0.831 113 S HN 0.533 nan 8.310 nan 0.000 0.499 114 V N 2.638 122.613 119.914 0.101 0.000 2.346 114 V HA 0.038 4.158 4.120 -0.000 0.000 0.244 114 V C 1.146 177.253 176.094 0.021 0.000 1.037 114 V CA 1.277 63.627 62.300 0.083 0.000 1.029 114 V CB 0.178 32.089 31.823 0.148 0.000 0.663 114 V HN 0.765 nan 8.190 nan 0.000 0.454 115 S N -0.345 115.386 115.700 0.052 0.000 2.776 115 S HA 0.534 5.004 4.470 -0.000 0.000 0.284 115 S C -1.114 173.493 174.600 0.010 0.000 1.160 115 S CA -0.437 57.754 58.200 -0.016 0.000 1.051 115 S CB 1.442 64.601 63.200 -0.068 0.000 1.037 115 S HN 0.008 nan 8.310 nan 0.000 0.485 116 V N 7.944 127.851 119.914 -0.012 0.000 2.334 116 V HA 0.531 4.651 4.120 -0.000 0.000 0.281 116 V C -1.989 174.088 176.094 -0.028 0.000 1.016 116 V CA -1.836 60.456 62.300 -0.013 0.000 0.832 116 V CB 1.406 33.223 31.823 -0.010 0.000 0.999 116 V HN 0.703 nan 8.190 nan 0.000 0.439 117 P HA 0.127 nan 4.420 nan 0.000 0.272 117 P C -0.037 177.238 177.300 -0.042 0.000 1.230 117 P CA -0.041 63.038 63.100 -0.035 0.000 0.788 117 P CB 0.970 32.651 31.700 -0.033 0.000 0.949 118 V N 2.890 122.782 119.914 -0.037 0.000 2.584 118 V HA -0.091 4.028 4.120 -0.000 0.000 0.303 118 V C 1.387 177.433 176.094 -0.080 0.000 1.035 118 V CA 0.405 62.681 62.300 -0.041 0.000 1.172 118 V CB -0.932 30.889 31.823 -0.004 0.000 0.896 118 V HN 0.647 nan 8.190 nan 0.000 0.486 119 N N 3.887 122.533 118.700 -0.091 0.000 2.497 119 N HA 0.081 4.821 4.740 -0.000 0.000 0.271 119 N C 0.641 176.001 175.510 -0.251 0.000 1.142 119 N CA 0.513 53.487 53.050 -0.127 0.000 0.965 119 N CB 1.506 39.944 38.487 -0.082 0.000 1.077 119 N HN 0.864 nan 8.380 nan 0.000 0.462 120 T N 0.758 115.058 114.554 -0.423 0.000 3.252 120 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 120 T C 0.751 175.046 174.700 -0.674 0.000 1.013 120 T CA -0.450 61.024 62.100 -1.044 0.000 0.914 120 T CB -0.460 67.856 68.868 -0.920 0.000 1.131 120 T HN 0.283 nan 8.240 nan 0.000 0.529 121 L N 2.069 123.144 121.223 -0.247 0.000 2.455 121 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 121 L C 0.129 177.060 176.870 0.101 0.000 1.174 121 L CA -0.670 54.134 54.840 -0.061 0.000 0.869 121 L CB 0.802 42.849 42.059 -0.020 0.000 1.130 121 L HN 0.079 nan 8.230 nan 0.000 0.474 122 V N 4.957 124.944 119.914 0.122 0.000 2.408 122 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 122 V C 0.283 176.449 176.094 0.119 0.000 1.047 122 V CA -0.392 62.028 62.300 0.200 0.000 0.937 122 V CB 1.413 33.331 31.823 0.158 0.000 0.999 122 V HN 0.423 nan 8.190 nan 0.000 0.472 123 V N 5.612 125.598 119.914 0.120 0.000 2.240 123 V HA 0.247 4.367 4.120 -0.000 0.000 0.265 123 V C 0.408 176.536 176.094 0.057 0.000 1.073 123 V CA -0.417 61.929 62.300 0.078 0.000 0.857 123 V CB 0.935 32.806 31.823 0.080 0.000 1.114 123 V HN 1.073 nan 8.190 nan 0.000 0.469 124 D N 1.613 122.040 120.400 0.044 0.000 2.388 124 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 124 D C 1.248 177.560 176.300 0.020 0.000 1.133 124 D CA 0.247 54.262 54.000 0.026 0.000 0.831 124 D CB 0.293 41.107 40.800 0.023 0.000 0.962 124 D HN 0.531 nan 8.370 nan 0.000 0.502 125 T N -1.754 112.815 114.554 0.025 0.000 3.248 125 T HA 0.323 4.673 4.350 -0.000 0.000 0.271 125 T C 0.600 175.314 174.700 0.024 0.000 1.005 125 T CA -0.631 61.481 62.100 0.021 0.000 0.902 125 T CB -0.464 68.417 68.868 0.021 0.000 1.102 125 T HN 0.029 nan 8.240 nan 0.000 0.548 126 L N 1.838 123.077 121.223 0.026 0.000 2.467 126 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 126 L C 1.189 178.072 176.870 0.021 0.000 1.205 126 L CA -0.577 54.282 54.840 0.031 0.000 0.828 126 L CB 0.455 42.538 42.059 0.039 0.000 1.101 126 L HN 0.287 nan 8.230 nan 0.000 0.479 127 S N 2.046 117.762 115.700 0.026 0.000 2.558 127 S HA 0.050 4.520 4.470 -0.000 0.000 0.291 127 S C -1.478 173.129 174.600 0.011 0.000 1.306 127 S CA -0.925 57.286 58.200 0.020 0.000 1.056 127 S CB 0.701 63.917 63.200 0.026 0.000 0.836 127 S HN 0.399 nan 8.310 nan 0.000 0.504 128 P HA -0.034 nan 4.420 nan 0.000 0.225 128 P C 1.274 178.570 177.300 -0.007 0.000 1.148 128 P CA 1.105 64.199 63.100 -0.010 0.000 0.779 128 P CB -0.122 31.572 31.700 -0.010 0.000 0.780 129 T N -5.854 108.706 114.554 0.010 0.000 3.054 129 T HA 0.115 4.465 4.350 -0.000 0.000 0.259 129 T C 1.095 175.822 174.700 0.044 0.000 1.092 129 T CA 0.069 62.182 62.100 0.021 0.000 1.121 129 T CB -0.577 68.307 68.868 0.027 0.000 0.912 129 T HN -0.122 nan 8.240 nan 0.000 0.489 130 S N 1.211 116.943 115.700 0.053 0.000 2.585 130 S HA 0.264 4.734 4.470 -0.000 0.000 0.273 130 S C -0.598 174.076 174.600 0.124 0.000 1.339 130 S CA -0.922 57.339 58.200 0.101 0.000 1.028 130 S CB 0.102 63.359 63.200 0.095 0.000 0.906 130 S HN 0.591 nan 8.310 nan 0.000 0.528 131 W N 3.025 124.335 121.300 0.017 0.000 2.381 131 W HA 0.193 4.853 4.660 -0.000 0.000 0.321 131 W C 0.280 176.816 176.519 0.029 0.000 1.407 131 W CA 0.188 57.543 57.345 0.015 0.000 1.274 131 W CB 0.164 29.634 29.460 0.016 0.000 1.310 131 W HN 0.519 nan 8.180 nan 0.000 0.551 132 Q N 5.104 124.590 119.800 -0.522 0.000 2.340 132 Q HA 0.586 4.926 4.340 -0.000 0.000 0.268 132 Q C -0.401 175.135 176.000 -0.772 0.000 1.031 132 Q CA -0.819 54.738 55.803 -0.410 0.000 0.804 132 Q CB 1.619 30.204 28.738 -0.255 0.000 1.286 132 Q HN 0.604 nan 8.270 nan 0.000 0.448 133 A N 2.395 125.019 122.820 -0.327 0.000 2.445 133 A HA 0.191 4.511 4.320 -0.000 0.000 0.242 133 A C 0.507 177.949 177.584 -0.237 0.000 1.075 133 A CA 0.044 51.982 52.037 -0.165 0.000 0.777 133 A CB 0.555 19.721 19.000 0.277 0.000 1.013 133 A HN 0.903 nan 8.150 nan 0.000 0.493 134 S N -0.344 115.237 115.700 -0.198 0.000 2.503 134 S HA 0.137 4.607 4.470 -0.000 0.000 0.217 134 S C 0.827 175.330 174.600 -0.162 0.000 0.999 134 S CA 0.792 58.887 58.200 -0.175 0.000 0.914 134 S CB -0.088 63.027 63.200 -0.141 0.000 0.782 134 S HN 1.165 nan 8.310 nan 0.000 0.520 135 T N -1.339 113.156 114.554 -0.100 0.000 2.816 135 T HA 0.626 4.976 4.350 -0.000 0.000 0.299 135 T C -1.140 173.522 174.700 -0.064 0.000 1.230 135 T CA -0.765 61.269 62.100 -0.110 0.000 1.007 135 T CB 0.622 69.526 68.868 0.060 0.000 1.289 135 T HN -0.103 nan 8.240 nan 0.000 0.508 136 F N 3.154 123.192 119.950 0.147 0.000 2.605 136 F HA 0.398 4.925 4.527 -0.000 0.000 0.352 136 F C 0.435 176.292 175.800 0.095 0.000 1.236 136 F CA -1.819 56.227 58.000 0.077 0.000 1.267 136 F CB -1.034 37.983 39.000 0.027 0.000 1.632 136 F HN 0.555 nan 8.300 nan 0.000 0.639 137 F N -0.700 119.356 119.950 0.177 0.000 2.368 137 F HA 0.627 5.154 4.527 -0.000 0.000 0.308 137 F C -0.091 175.783 175.800 0.123 0.000 1.198 137 F CA -1.709 56.370 58.000 0.132 0.000 1.130 137 F CB -0.214 38.856 39.000 0.117 0.000 1.300 137 F HN -0.182 nan 8.300 nan 0.000 0.537 138 V N 2.493 122.524 119.914 0.194 0.000 2.439 138 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 138 V C 0.033 176.114 176.094 -0.022 0.000 1.040 138 V CA -0.156 62.174 62.300 0.050 0.000 1.002 138 V CB -0.410 31.479 31.823 0.111 0.000 1.000 138 V HN 0.702 nan 8.190 nan 0.000 0.477 139 R N 3.828 124.221 120.500 -0.178 0.000 2.795 139 R HA 0.503 4.843 4.340 -0.000 0.000 0.275 139 R C 0.125 176.379 176.300 -0.076 0.000 0.981 139 R CA -0.936 55.059 56.100 -0.176 0.000 0.917 139 R CB 1.218 31.298 30.300 -0.367 0.000 1.202 139 R HN 0.673 nan 8.270 nan 0.000 0.469 140 N N 0.713 119.393 118.700 -0.034 0.000 2.735 140 N HA -0.187 4.552 4.740 -0.000 0.000 0.248 140 N C 0.461 175.962 175.510 -0.015 0.000 1.083 140 N CA 1.498 54.534 53.050 -0.022 0.000 0.703 140 N CB -1.212 37.257 38.487 -0.031 0.000 1.005 140 N HN 1.088 nan 8.380 nan 0.000 0.550 141 G N -1.647 107.149 108.800 -0.006 0.000 2.155 141 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 141 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 141 G C 0.388 175.285 174.900 -0.005 0.000 0.983 141 G CA 1.071 46.171 45.100 0.000 0.000 0.676 141 G HN 1.332 nan 8.290 nan 0.000 0.528 142 S N -0.702 114.988 115.700 -0.017 0.000 2.580 142 S HA 0.417 4.887 4.470 -0.000 0.000 0.266 142 S C 0.200 174.790 174.600 -0.016 0.000 1.354 142 S CA 0.195 58.382 58.200 -0.022 0.000 1.008 142 S CB 1.553 64.732 63.200 -0.036 0.000 0.898 142 S HN 0.695 nan 8.310 nan 0.000 0.555 143 N N 1.635 120.318 118.700 -0.028 0.000 2.558 143 N HA 0.367 5.107 4.740 -0.000 0.000 0.242 143 N C -1.731 173.761 175.510 -0.030 0.000 0.979 143 N CA -2.536 50.489 53.050 -0.041 0.000 0.931 143 N CB 1.339 39.774 38.487 -0.087 0.000 1.122 143 N HN 0.353 nan 8.380 nan 0.000 0.508 144 P HA -0.071 nan 4.420 nan 0.000 0.230 144 P C 0.303 177.622 177.300 0.032 0.000 1.158 144 P CA 0.903 64.019 63.100 0.026 0.000 0.769 144 P CB 0.582 32.315 31.700 0.054 0.000 0.807 145 E N -0.101 120.103 120.200 0.006 0.000 2.274 145 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 145 E C 0.984 177.575 176.600 -0.015 0.000 0.996 145 E CA 0.534 56.952 56.400 0.030 0.000 0.840 145 E CB -0.201 29.457 29.700 -0.069 0.000 0.772 145 E HN 0.339 nan 8.360 nan 0.000 0.491 146 Q N 2.218 121.976 119.800 -0.070 0.000 2.295 146 Q HA 0.028 4.367 4.340 -0.000 0.000 0.259 146 Q C -0.776 175.222 176.000 -0.005 0.000 0.976 146 Q CA -0.170 55.592 55.803 -0.068 0.000 0.923 146 Q CB 0.803 29.490 28.738 -0.086 0.000 1.185 146 Q HN -0.196 nan 8.270 nan 0.000 0.410 147 D N 5.417 125.831 120.400 0.024 0.000 2.348 147 D HA 0.107 4.747 4.640 -0.000 0.000 0.253 147 D C -1.826 174.483 176.300 0.015 0.000 1.161 147 D CA -2.030 51.989 54.000 0.032 0.000 0.876 147 D CB 1.333 42.166 40.800 0.056 0.000 1.160 147 D HN 0.429 nan 8.370 nan 0.000 0.459 148 P HA 0.023 nan 4.420 nan 0.000 0.240 148 P C 1.073 178.370 177.300 -0.006 0.000 1.190 148 P CA 0.407 63.501 63.100 -0.010 0.000 0.781 148 P CB 0.423 32.106 31.700 -0.028 0.000 0.931 149 L N -0.869 120.354 121.223 0.000 0.000 2.628 149 L HA 0.234 4.574 4.340 -0.000 0.000 0.229 149 L C 1.279 178.154 176.870 0.009 0.000 1.137 149 L CA 0.190 55.030 54.840 0.000 0.000 0.909 149 L CB -0.099 41.957 42.059 -0.004 0.000 1.137 149 L HN -0.170 nan 8.230 nan 0.000 0.470 150 R N -0.188 120.326 120.500 0.024 0.000 2.688 150 R HA 0.206 4.546 4.340 -0.000 0.000 0.396 150 R C -0.413 175.931 176.300 0.072 0.000 1.081 150 R CA -0.280 55.844 56.100 0.040 0.000 1.093 150 R CB 0.374 30.701 30.300 0.045 0.000 1.338 150 R HN 0.040 nan 8.270 nan 0.000 0.613 151 N N 0.573 119.295 118.700 0.038 0.000 2.459 151 N HA 0.367 5.107 4.740 -0.000 0.000 0.288 151 N C -0.642 174.784 175.510 -0.139 0.000 1.186 151 N CA -0.619 52.440 53.050 0.015 0.000 0.917 151 N CB 1.182 39.676 38.487 0.012 0.000 1.219 151 N HN 0.085 nan 8.380 nan 0.000 0.525 152 L N 2.064 123.050 121.223 -0.396 0.000 2.494 152 L HA 0.216 4.556 4.340 -0.000 0.000 0.251 152 L C 1.498 178.170 176.870 -0.330 0.000 1.119 152 L CA -0.292 54.179 54.840 -0.614 0.000 1.026 152 L CB 0.344 41.650 42.059 -1.255 0.000 1.370 152 L HN 0.644 nan 8.230 nan 0.000 0.426 153 S N 0.055 115.660 115.700 -0.158 0.000 2.399 153 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 153 S C 1.868 176.430 174.600 -0.065 0.000 1.022 153 S CA 1.138 59.297 58.200 -0.069 0.000 0.983 153 S CB -0.229 62.943 63.200 -0.047 0.000 0.803 153 S HN 0.631 nan 8.310 nan 0.000 0.480 154 G N 0.672 109.413 108.800 -0.098 0.000 2.598 154 G HA2 0.032 3.992 3.960 -0.000 0.000 0.215 154 G HA3 0.032 3.992 3.960 -0.000 0.000 0.215 154 G C 0.664 175.532 174.900 -0.052 0.000 1.131 154 G CA -0.107 44.950 45.100 -0.072 0.000 0.785 154 G HN 0.417 nan 8.290 nan 0.000 0.539 155 Q N 0.537 120.281 119.800 -0.092 0.000 2.337 155 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 155 Q C -0.095 175.943 176.000 0.063 0.000 1.002 155 Q CA 0.287 56.068 55.803 -0.036 0.000 0.888 155 Q CB 1.372 30.049 28.738 -0.101 0.000 1.222 155 Q HN 0.293 nan 8.270 nan 0.000 0.400 156 A N 1.963 124.836 122.820 0.088 0.000 2.609 156 A HA 0.740 5.059 4.320 -0.000 0.000 0.291 156 A C -1.098 176.569 177.584 0.139 0.000 1.096 156 A CA -0.506 51.596 52.037 0.109 0.000 0.684 156 A CB 1.278 20.330 19.000 0.087 0.000 1.282 156 A HN 0.473 nan 8.150 nan 0.000 0.412 157 V N -2.266 117.745 119.914 0.162 0.000 3.040 157 V HA 0.948 5.067 4.120 -0.000 0.000 0.312 157 V C -0.474 175.727 176.094 0.178 0.000 1.115 157 V CA -0.581 61.836 62.300 0.194 0.000 0.998 157 V CB 1.624 33.620 31.823 0.288 0.000 1.042 157 V HN 0.913 nan 8.190 nan 0.000 0.433 158 T N 2.490 117.140 114.554 0.161 0.000 2.809 158 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 158 T C -0.350 174.390 174.700 0.067 0.000 0.992 158 T CA -0.470 61.710 62.100 0.133 0.000 0.957 158 T CB 1.022 69.966 68.868 0.127 0.000 0.942 158 T HN 0.759 nan 8.240 nan 0.000 0.439 159 R N 2.700 123.231 120.500 0.052 0.000 2.423 159 R HA 0.606 4.946 4.340 -0.000 0.000 0.293 159 R C -0.657 175.649 176.300 0.010 0.000 1.196 159 R CA -0.616 55.483 56.100 -0.002 0.000 1.262 159 R CB 0.687 30.965 30.300 -0.035 0.000 1.116 159 R HN 0.507 nan 8.270 nan 0.000 0.566 160 V N -1.777 118.133 119.914 -0.006 0.000 3.120 160 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 160 V C -0.090 175.994 176.094 -0.018 0.000 1.238 160 V CA -1.188 61.110 62.300 -0.003 0.000 1.008 160 V CB 1.922 33.745 31.823 -0.000 0.000 1.064 160 V HN 0.141 nan 8.190 nan 0.000 0.434 161 V N 3.218 123.129 119.914 -0.005 0.000 2.529 161 V HA 0.518 4.638 4.120 -0.000 0.000 0.292 161 V C 1.692 177.777 176.094 -0.015 0.000 1.028 161 V CA 1.883 64.181 62.300 -0.003 0.000 1.074 161 V CB 0.069 31.898 31.823 0.010 0.000 0.958 161 V HN 2.093 nan 8.190 nan 0.000 0.481 162 G N 3.341 112.128 108.800 -0.021 0.000 2.194 162 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.236 162 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.236 162 G C 0.997 175.838 174.900 -0.098 0.000 0.987 162 G CA 0.285 45.357 45.100 -0.046 0.000 0.635 162 G HN 2.090 nan 8.290 nan 0.000 0.520 163 G N 0.136 108.880 108.800 -0.092 0.000 2.596 163 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.295 163 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.295 163 G C 1.165 175.928 174.900 -0.229 0.000 1.240 163 G CA 1.314 46.346 45.100 -0.112 0.000 0.985 163 G HN 1.117 nan 8.290 nan 0.000 0.555 164 M N 1.645 121.116 119.600 -0.214 0.000 2.562 164 M HA 0.050 4.530 4.480 -0.000 0.000 0.257 164 M C 2.636 178.693 176.300 -0.405 0.000 1.099 164 M CA 1.567 56.673 55.300 -0.323 0.000 1.099 164 M CB -0.071 32.513 32.600 -0.028 0.000 1.427 164 M HN 0.684 nan 8.290 nan 0.000 0.489 165 S N -0.520 114.915 115.700 -0.441 0.000 2.603 165 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 165 S C 1.677 176.118 174.600 -0.263 0.000 0.972 165 S CA 1.087 58.906 58.200 -0.635 0.000 0.935 165 S CB -0.924 61.930 63.200 -0.577 0.000 0.769 165 S HN 0.561 nan 8.310 nan 0.000 0.536 166 T N -0.510 113.844 114.554 -0.333 0.000 3.113 166 T HA 0.038 4.387 4.350 -0.000 0.000 0.256 166 T C 1.161 175.633 174.700 -0.380 0.000 1.131 166 T CA 0.817 62.741 62.100 -0.293 0.000 1.074 166 T CB -0.727 68.033 68.868 -0.181 0.000 0.944 166 T HN 0.923 nan 8.240 nan 0.000 0.516 167 H N -2.059 116.913 119.070 -0.163 0.000 3.394 167 H HA 0.228 4.784 4.556 -0.000 0.000 0.256 167 H C 0.285 175.770 175.328 0.262 0.000 1.180 167 H CA -1.301 54.773 56.048 0.044 0.000 1.064 167 H CB -0.607 29.231 29.762 0.127 0.000 1.854 167 H HN 0.448 nan 8.280 nan 0.000 0.731 168 W N 1.831 123.203 121.300 0.121 0.000 1.975 168 W HA 0.556 5.216 4.660 -0.000 0.000 0.359 168 W C 0.280 176.835 176.519 0.059 0.000 1.363 168 W CA -0.350 57.079 57.345 0.139 0.000 1.376 168 W CB -0.097 29.429 29.460 0.110 0.000 1.231 168 W HN 0.017 nan 8.180 nan 0.000 0.641 169 A N 0.473 123.167 122.820 -0.210 0.000 2.345 169 A HA 0.348 4.668 4.320 -0.000 0.000 0.225 169 A C 1.178 178.329 177.584 -0.721 0.000 1.243 169 A CA 0.489 52.198 52.037 -0.546 0.000 0.875 169 A CB -0.985 17.772 19.000 -0.406 0.000 0.929 169 A HN 0.964 nan 8.150 nan 0.000 0.502 170 C N -2.147 116.338 119.300 -1.357 0.000 4.400 170 C HA -0.165 4.295 4.460 -0.000 0.000 0.275 170 C C 1.270 175.803 174.990 -0.761 0.000 1.391 170 C CA -0.255 57.785 59.018 -1.631 0.000 1.816 170 C CB -2.912 24.326 27.740 -0.837 0.000 1.404 170 C HN 1.147 nan 8.230 nan 0.000 0.754 171 A N 1.054 123.628 122.820 -0.409 0.000 2.404 171 A HA 0.565 4.885 4.320 -0.000 0.000 0.273 171 A C 0.770 178.291 177.584 -0.106 0.000 1.144 171 A CA 1.022 52.968 52.037 -0.150 0.000 0.806 171 A CB 0.216 19.209 19.000 -0.011 0.000 1.080 171 A HN 1.314 nan 8.150 nan 0.000 0.509 172 T N 1.601 116.100 114.554 -0.091 0.000 3.466 172 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 172 T C -2.623 172.036 174.700 -0.068 0.000 1.640 172 T CA -1.477 60.596 62.100 -0.045 0.000 1.631 172 T CB 0.454 69.312 68.868 -0.017 0.000 0.928 172 T HN 0.473 nan 8.240 nan 0.000 0.688 173 P HA 0.324 nan 4.420 nan 0.000 0.274 173 P C -0.150 177.012 177.300 -0.229 0.000 1.231 173 P CA -0.571 62.442 63.100 -0.144 0.000 0.790 173 P CB 1.158 32.753 31.700 -0.174 0.000 0.951 174 R N 1.119 121.398 120.500 -0.368 0.000 2.582 174 R HA 0.360 4.700 4.340 -0.000 0.000 0.271 174 R C 0.088 176.277 176.300 -0.185 0.000 1.078 174 R CA -0.337 55.349 56.100 -0.690 0.000 1.127 174 R CB 0.165 29.960 30.300 -0.843 0.000 1.038 174 R HN 0.386 nan 8.270 nan 0.000 0.500 175 F N 2.020 121.740 119.950 -0.382 0.000 2.396 175 F HA 0.069 4.596 4.527 -0.000 0.000 0.343 175 F C 1.007 176.635 175.800 -0.288 0.000 1.104 175 F CA -1.510 56.301 58.000 -0.315 0.000 1.161 175 F CB 0.457 39.262 39.000 -0.326 0.000 1.146 175 F HN 0.553 nan 8.300 nan 0.000 0.522 176 D N 2.785 123.126 120.400 -0.098 0.000 2.414 176 D HA 0.116 4.755 4.640 -0.000 0.000 0.251 176 D C 1.033 177.256 176.300 -0.128 0.000 1.252 176 D CA -0.409 53.534 54.000 -0.096 0.000 0.999 176 D CB 0.659 41.423 40.800 -0.060 0.000 1.093 176 D HN 0.476 nan 8.370 nan 0.000 0.515 177 R N -0.361 120.090 120.500 -0.082 0.000 2.096 177 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 177 R C 2.160 178.411 176.300 -0.081 0.000 1.139 177 R CA 1.991 58.049 56.100 -0.070 0.000 0.952 177 R CB -0.384 29.910 30.300 -0.010 0.000 0.854 177 R HN 0.666 nan 8.270 nan 0.000 0.436 178 E N 0.833 120.987 120.200 -0.077 0.000 2.204 178 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 178 E C 1.439 177.933 176.600 -0.177 0.000 0.990 178 E CA 1.277 57.636 56.400 -0.069 0.000 0.821 178 E CB 0.195 29.904 29.700 0.015 0.000 0.750 178 E HN 0.383 nan 8.360 nan 0.000 0.477 179 Q N -0.595 119.010 119.800 -0.324 0.000 2.282 179 Q HA 0.150 4.490 4.340 -0.000 0.000 0.206 179 Q C 0.230 176.134 176.000 -0.161 0.000 0.878 179 Q CA -0.154 55.400 55.803 -0.415 0.000 0.944 179 Q CB 0.680 28.893 28.738 -0.875 0.000 1.100 179 Q HN -0.017 nan 8.270 nan 0.000 0.509 180 R N 1.911 122.350 120.500 -0.103 0.000 2.589 180 R HA 0.351 4.691 4.340 -0.000 0.000 0.293 180 R C -2.619 173.658 176.300 -0.038 0.000 0.963 180 R CA -2.044 53.982 56.100 -0.122 0.000 0.905 180 R CB 1.260 31.295 30.300 -0.441 0.000 1.144 180 R HN -0.135 nan 8.270 nan 0.000 0.459 181 P HA 0.116 nan 4.420 nan 0.000 0.277 181 P C -0.600 176.869 177.300 0.282 0.000 1.240 181 P CA -0.303 62.883 63.100 0.144 0.000 0.798 181 P CB 0.847 32.627 31.700 0.133 0.000 0.979 182 L N 2.714 124.065 121.223 0.213 0.000 2.410 182 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 182 L C 1.708 178.714 176.870 0.228 0.000 1.152 182 L CA -0.091 54.935 54.840 0.310 0.000 0.855 182 L CB 0.107 42.394 42.059 0.381 0.000 1.129 182 L HN 0.364 nan 8.230 nan 0.000 0.463 183 L N 3.806 125.184 121.223 0.258 0.000 2.556 183 L HA 0.203 4.543 4.340 -0.000 0.000 0.226 183 L C -0.196 176.818 176.870 0.240 0.000 1.089 183 L CA 0.150 55.032 54.840 0.069 0.000 0.864 183 L CB 0.686 42.576 42.059 -0.281 0.000 1.067 183 L HN 0.337 nan 8.230 nan 0.000 0.477 184 V N 0.077 120.160 119.914 0.281 0.000 2.577 184 V HA 0.266 4.386 4.120 -0.000 0.000 0.303 184 V C -0.333 175.862 176.094 0.168 0.000 1.042 184 V CA -1.007 61.408 62.300 0.191 0.000 0.872 184 V CB 2.210 34.089 31.823 0.093 0.000 0.998 184 V HN 0.015 nan 8.190 nan 0.000 0.423 185 K N 2.560 122.946 120.400 -0.023 0.000 2.218 185 K HA 0.323 4.643 4.320 -0.000 0.000 0.276 185 K C -0.100 176.473 176.600 -0.045 0.000 1.022 185 K CA -0.100 56.114 56.287 -0.120 0.000 0.946 185 K CB 0.422 32.672 32.500 -0.417 0.000 1.000 185 K HN 0.811 nan 8.250 nan 0.000 0.468 186 D N 2.155 122.551 120.400 -0.007 0.000 2.772 186 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 186 D C -0.877 175.431 176.300 0.013 0.000 1.143 186 D CA 1.231 55.231 54.000 -0.000 0.000 0.700 186 D CB -0.773 40.012 40.800 -0.025 0.000 1.076 186 D HN 0.631 nan 8.370 nan 0.000 0.430 187 D N -1.509 118.912 120.400 0.034 0.000 2.668 187 D HA 0.353 4.993 4.640 -0.000 0.000 0.234 187 D C 0.948 177.284 176.300 0.061 0.000 1.349 187 D CA 0.215 54.238 54.000 0.038 0.000 0.889 187 D CB 0.236 41.053 40.800 0.028 0.000 1.520 187 D HN 0.001 nan 8.370 nan 0.000 0.521 188 A N 2.285 125.143 122.820 0.064 0.000 1.940 188 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 188 A C 1.617 179.251 177.584 0.083 0.000 1.176 188 A CA 1.636 53.721 52.037 0.080 0.000 0.631 188 A CB -0.057 18.982 19.000 0.066 0.000 0.814 188 A HN 0.482 nan 8.150 nan 0.000 0.446 189 D N -0.080 120.358 120.400 0.064 0.000 2.149 189 D HA 0.014 4.654 4.640 -0.000 0.000 0.201 189 D C 2.194 178.534 176.300 0.067 0.000 0.972 189 D CA 1.359 55.397 54.000 0.063 0.000 0.835 189 D CB -0.437 40.391 40.800 0.047 0.000 0.966 189 D HN 0.444 nan 8.370 nan 0.000 0.476 190 A N 0.915 123.771 122.820 0.059 0.000 1.969 190 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 190 A C 1.939 179.566 177.584 0.071 0.000 1.169 190 A CA 1.884 53.953 52.037 0.052 0.000 0.635 190 A CB -0.505 18.517 19.000 0.038 0.000 0.810 190 A HN 0.168 nan 8.150 nan 0.000 0.445 191 D N -0.212 120.253 120.400 0.109 0.000 2.097 191 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 191 D C 1.288 177.735 176.300 0.245 0.000 0.984 191 D CA 1.530 55.634 54.000 0.175 0.000 0.826 191 D CB -0.144 40.791 40.800 0.226 0.000 0.973 191 D HN 0.316 nan 8.370 nan 0.000 0.460 192 D N -0.228 120.296 120.400 0.207 0.000 2.133 192 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 192 D C 1.944 178.354 176.300 0.185 0.000 0.997 192 D CA 1.544 55.670 54.000 0.210 0.000 0.840 192 D CB -0.542 40.338 40.800 0.133 0.000 0.947 192 D HN 0.341 nan 8.370 nan 0.000 0.452 193 A N 0.377 123.266 122.820 0.115 0.000 1.969 193 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 193 A C 2.112 179.727 177.584 0.051 0.000 1.169 193 A CA 1.743 53.827 52.037 0.077 0.000 0.635 193 A CB -0.398 18.630 19.000 0.047 0.000 0.810 193 A HN 0.188 nan 8.150 nan 0.000 0.445 194 E N -0.955 119.256 120.200 0.017 0.000 2.072 194 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 194 E C 1.640 178.150 176.600 -0.151 0.000 0.982 194 E CA 1.241 57.583 56.400 -0.097 0.000 0.803 194 E CB -0.454 29.147 29.700 -0.164 0.000 0.755 194 E HN 0.702 nan 8.360 nan 0.000 0.453 195 W N 0.849 122.116 121.300 -0.056 0.000 2.363 195 W HA -0.104 4.556 4.660 -0.000 0.000 0.296 195 W C 2.052 178.564 176.519 -0.012 0.000 1.212 195 W CA 1.329 58.605 57.345 -0.115 0.000 1.260 195 W CB -0.297 29.137 29.460 -0.045 0.000 1.131 195 W HN 0.269 nan 8.180 nan 0.000 0.530 196 D N -0.076 120.491 120.400 0.278 0.000 2.144 196 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 196 D C 2.172 178.551 176.300 0.131 0.000 0.978 196 D CA 1.403 55.542 54.000 0.233 0.000 0.833 196 D CB -0.180 40.712 40.800 0.153 0.000 0.961 196 D HN -0.021 nan 8.370 nan 0.000 0.470 197 R N -0.114 120.414 120.500 0.047 0.000 2.073 197 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 197 R C 2.378 178.643 176.300 -0.058 0.000 1.134 197 R CA 1.216 57.309 56.100 -0.013 0.000 0.952 197 R CB -0.353 29.920 30.300 -0.045 0.000 0.850 197 R HN 0.264 nan 8.270 nan 0.000 0.433 198 L N -0.397 120.753 121.223 -0.121 0.000 2.017 198 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 198 L C 2.431 179.236 176.870 -0.107 0.000 1.073 198 L CA 1.226 55.945 54.840 -0.201 0.000 0.745 198 L CB -0.701 41.138 42.059 -0.366 0.000 0.894 198 L HN 0.198 nan 8.230 nan 0.000 0.432 199 Y N 0.541 120.847 120.300 0.011 0.000 2.207 199 Y HA -0.241 4.308 4.550 -0.000 0.000 0.287 199 Y C 2.882 178.763 175.900 -0.031 0.000 1.156 199 Y CA 1.585 59.695 58.100 0.017 0.000 1.182 199 Y CB -1.144 37.356 38.460 0.066 0.000 0.979 199 Y HN 0.163 nan 8.280 nan 0.000 0.521 200 T N -0.445 114.182 114.554 0.122 0.000 2.777 200 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 200 T C 1.879 176.557 174.700 -0.037 0.000 1.040 200 T CA 1.405 63.535 62.100 0.050 0.000 1.141 200 T CB -0.109 68.781 68.868 0.038 0.000 0.868 200 T HN 0.259 nan 8.240 nan 0.000 0.444 201 K N 1.318 121.639 120.400 -0.131 0.000 2.032 201 K HA -0.016 4.304 4.320 -0.000 0.000 0.209 201 K C 2.702 178.978 176.600 -0.540 0.000 1.048 201 K CA 1.291 57.373 56.287 -0.343 0.000 0.927 201 K CB -0.366 31.877 32.500 -0.428 0.000 0.712 201 K HN 0.269 nan 8.250 nan 0.000 0.441 202 A N 1.688 124.285 122.820 -0.371 0.000 1.883 202 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 202 A C 1.964 179.560 177.584 0.019 0.000 1.186 202 A CA 1.855 53.755 52.037 -0.229 0.000 0.624 202 A CB -0.534 18.460 19.000 -0.011 0.000 0.822 202 A HN 0.338 nan 8.150 nan 0.000 0.444 203 E N -0.708 119.543 120.200 0.085 0.000 2.077 203 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 203 E C 2.295 178.984 176.600 0.150 0.000 0.989 203 E CA 1.170 57.663 56.400 0.155 0.000 0.800 203 E CB -0.189 29.574 29.700 0.104 0.000 0.746 203 E HN 0.593 nan 8.360 nan 0.000 0.452 204 S N -0.426 115.323 115.700 0.081 0.000 2.370 204 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 204 S C 1.807 176.569 174.600 0.271 0.000 1.033 204 S CA 1.070 59.352 58.200 0.138 0.000 1.011 204 S CB -0.216 63.050 63.200 0.111 0.000 0.852 204 S HN 0.273 nan 8.310 nan 0.000 0.457 205 Y N 0.261 120.574 120.300 0.021 0.000 2.145 205 Y HA 0.027 4.577 4.550 -0.000 0.000 0.286 205 Y C 2.125 178.039 175.900 0.024 0.000 1.145 205 Y CA 0.313 58.389 58.100 -0.041 0.000 1.148 205 Y CB -1.271 37.089 38.460 -0.167 0.000 0.981 205 Y HN 0.312 nan 8.280 nan 0.000 0.507 206 F N 0.407 120.513 119.950 0.259 0.000 2.604 206 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 206 F C 0.922 176.829 175.800 0.178 0.000 1.131 206 F CA 0.509 58.647 58.000 0.230 0.000 1.457 206 F CB -0.478 38.673 39.000 0.253 0.000 1.095 206 F HN 0.053 nan 8.300 nan 0.000 0.574 207 Q N 0.308 120.294 119.800 0.311 0.000 2.468 207 Q HA -0.196 4.144 4.340 -0.000 0.000 0.289 207 Q C 0.088 176.178 176.000 0.150 0.000 1.299 207 Q CA 0.808 56.721 55.803 0.184 0.000 0.838 207 Q CB -2.708 26.112 28.738 0.136 0.000 1.195 207 Q HN 0.230 nan 8.270 nan 0.000 0.456 208 T N 0.052 114.712 114.554 0.177 0.000 2.902 208 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 208 T C 0.803 175.536 174.700 0.056 0.000 1.012 208 T CA 0.656 62.821 62.100 0.107 0.000 1.151 208 T CB 1.162 70.100 68.868 0.118 0.000 0.946 208 T HN 0.484 nan 8.240 nan 0.000 0.542 209 G N 0.736 109.552 108.800 0.026 0.000 2.695 209 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 209 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 209 G C 0.103 175.011 174.900 0.013 0.000 1.410 209 G CA -0.563 44.542 45.100 0.009 0.000 0.844 209 G HN 0.634 nan 8.290 nan 0.000 0.478 210 T N -2.497 112.064 114.554 0.012 0.000 3.337 210 T HA 0.264 4.614 4.350 -0.000 0.000 0.299 210 T C 0.050 174.764 174.700 0.022 0.000 0.998 210 T CA 0.452 62.569 62.100 0.029 0.000 0.948 210 T CB 0.376 69.267 68.868 0.038 0.000 1.170 210 T HN 0.491 nan 8.240 nan 0.000 0.508 211 D N 0.152 120.542 120.400 -0.016 0.000 2.527 211 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 211 D C 1.266 177.488 176.300 -0.131 0.000 1.217 211 D CA -0.167 53.803 54.000 -0.051 0.000 0.819 211 D CB -0.080 40.687 40.800 -0.054 0.000 1.061 211 D HN 0.239 nan 8.370 nan 0.000 0.515 212 Q N -0.410 119.300 119.800 -0.151 0.000 2.364 212 Q HA 0.115 4.455 4.340 -0.000 0.000 0.209 212 Q C 0.314 175.890 176.000 -0.708 0.000 0.977 212 Q CA 1.005 56.575 55.803 -0.389 0.000 0.885 212 Q CB -0.328 28.148 28.738 -0.437 0.000 0.941 212 Q HN 0.331 nan 8.270 nan 0.000 0.464 213 F N -0.137 119.645 119.950 -0.279 0.000 2.698 213 F HA 0.224 4.751 4.527 -0.000 0.000 0.304 213 F C 1.306 176.898 175.800 -0.346 0.000 1.108 213 F CA -0.539 57.251 58.000 -0.351 0.000 1.263 213 F CB 0.320 39.028 39.000 -0.486 0.000 1.013 213 F HN 0.004 nan 8.300 nan 0.000 0.532 214 K N 0.478 120.768 120.400 -0.183 0.000 2.209 214 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 214 K C 0.727 177.158 176.600 -0.281 0.000 1.048 214 K CA 1.733 57.944 56.287 -0.127 0.000 0.940 214 K CB -0.230 32.187 32.500 -0.139 0.000 0.729 214 K HN 0.323 nan 8.250 nan 0.000 0.451 215 E N 1.463 121.389 120.200 -0.457 0.000 2.451 215 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 215 E C -0.617 175.808 176.600 -0.290 0.000 1.027 215 E CA -0.301 55.588 56.400 -0.853 0.000 0.914 215 E CB 0.856 30.054 29.700 -0.837 0.000 1.054 215 E HN 0.193 nan 8.360 nan 0.000 0.461 216 S N 0.953 116.626 115.700 -0.045 0.000 2.488 216 S HA 0.137 4.607 4.470 -0.000 0.000 0.278 216 S C 1.324 176.006 174.600 0.137 0.000 1.259 216 S CA -0.398 57.855 58.200 0.087 0.000 1.061 216 S CB 0.315 63.627 63.200 0.186 0.000 0.910 216 S HN 0.202 nan 8.310 nan 0.000 0.491 217 I N 5.152 125.676 120.570 -0.077 0.000 2.127 217 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 217 I C 2.746 178.671 176.117 -0.320 0.000 1.075 217 I CA 1.405 62.393 61.300 -0.520 0.000 1.334 217 I CB -0.263 37.223 38.000 -0.857 0.000 1.040 217 I HN 0.699 nan 8.210 nan 0.000 0.405 218 R N -0.554 119.858 120.500 -0.147 0.000 2.073 218 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 218 R C 2.403 178.729 176.300 0.045 0.000 1.134 218 R CA 1.780 57.850 56.100 -0.051 0.000 0.952 218 R CB -0.650 29.634 30.300 -0.027 0.000 0.850 218 R HN 0.415 nan 8.270 nan 0.000 0.433 219 H N 1.040 120.123 119.070 0.021 0.000 2.289 219 H HA -0.102 4.454 4.556 -0.000 0.000 0.296 219 H C 1.748 177.149 175.328 0.121 0.000 1.091 219 H CA 2.069 58.156 56.048 0.064 0.000 1.274 219 H CB -0.083 29.743 29.762 0.106 0.000 1.364 219 H HN 0.143 nan 8.280 nan 0.000 0.490 220 N N -0.173 118.635 118.700 0.180 0.000 2.300 220 N HA -0.105 4.635 4.740 -0.000 0.000 0.179 220 N C 2.029 177.702 175.510 0.272 0.000 1.016 220 N CA 0.879 54.089 53.050 0.266 0.000 0.876 220 N CB -0.120 38.742 38.487 0.625 0.000 0.979 220 N HN 0.314 nan 8.380 nan 0.000 0.432 221 L N 1.337 122.727 121.223 0.278 0.000 2.017 221 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 221 L C 2.118 179.055 176.870 0.112 0.000 1.073 221 L CA 1.353 56.363 54.840 0.284 0.000 0.745 221 L CB -0.543 41.634 42.059 0.198 0.000 0.894 221 L HN -0.146 nan 8.230 nan 0.000 0.432 222 V N -0.572 119.357 119.914 0.026 0.000 2.295 222 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 222 V C 2.475 178.501 176.094 -0.112 0.000 1.049 222 V CA 1.748 64.026 62.300 -0.036 0.000 1.024 222 V CB -0.772 31.003 31.823 -0.080 0.000 0.648 222 V HN 0.516 nan 8.190 nan 0.000 0.447 223 L N 1.041 122.162 121.223 -0.170 0.000 1.990 223 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 223 L C 2.230 179.043 176.870 -0.095 0.000 1.072 223 L CA 2.195 56.930 54.840 -0.175 0.000 0.755 223 L CB -0.973 40.961 42.059 -0.209 0.000 0.889 223 L HN 0.328 nan 8.230 nan 0.000 0.432 224 N N -0.236 118.460 118.700 -0.008 0.000 2.120 224 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 224 N C 1.844 177.344 175.510 -0.016 0.000 1.024 224 N CA 1.417 54.479 53.050 0.019 0.000 0.852 224 N CB -0.333 38.194 38.487 0.067 0.000 1.003 224 N HN 0.307 nan 8.380 nan 0.000 0.424 225 K N 1.205 121.594 120.400 -0.018 0.000 2.057 225 K HA 0.084 4.404 4.320 -0.000 0.000 0.206 225 K C 1.918 178.479 176.600 -0.064 0.000 1.050 225 K CA 0.827 57.102 56.287 -0.020 0.000 0.935 225 K CB -0.377 32.130 32.500 0.012 0.000 0.715 225 K HN 0.111 nan 8.250 nan 0.000 0.439 226 L N 0.131 121.251 121.223 -0.172 0.000 2.056 226 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 226 L C 2.218 178.910 176.870 -0.296 0.000 1.078 226 L CA 1.604 56.234 54.840 -0.349 0.000 0.749 226 L CB -0.760 40.732 42.059 -0.944 0.000 0.901 226 L HN 0.253 nan 8.230 nan 0.000 0.433 227 T N -0.736 113.686 114.554 -0.220 0.000 2.665 227 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 227 T C 1.778 176.532 174.700 0.090 0.000 1.035 227 T CA 1.883 64.016 62.100 0.055 0.000 1.151 227 T CB -0.162 68.749 68.868 0.072 0.000 0.862 227 T HN 0.392 nan 8.240 nan 0.000 0.438 228 E N 0.542 120.757 120.200 0.026 0.000 2.051 228 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 228 E C 2.216 178.816 176.600 0.001 0.000 0.991 228 E CA 0.950 57.360 56.400 0.016 0.000 0.799 228 E CB 0.047 29.740 29.700 -0.011 0.000 0.748 228 E HN 0.411 nan 8.360 nan 0.000 0.449 229 E N -0.440 119.744 120.200 -0.026 0.000 2.153 229 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 229 E C 0.851 177.291 176.600 -0.268 0.000 0.988 229 E CA 0.989 57.297 56.400 -0.153 0.000 0.811 229 E CB -0.015 29.559 29.700 -0.210 0.000 0.746 229 E HN 0.496 nan 8.360 nan 0.000 0.466 230 Y N 0.428 120.772 120.300 0.073 0.000 2.681 230 Y HA 0.180 4.730 4.550 -0.000 0.000 0.267 230 Y C 0.585 176.551 175.900 0.111 0.000 1.166 230 Y CA -0.454 57.723 58.100 0.127 0.000 1.209 230 Y CB 0.409 39.039 38.460 0.283 0.000 1.161 230 Y HN -0.250 nan 8.280 nan 0.000 0.534 231 K N 0.720 121.216 120.400 0.160 0.000 2.511 231 K HA 0.068 4.388 4.320 -0.000 0.000 0.280 231 K C 1.276 177.941 176.600 0.107 0.000 1.008 231 K CA 1.304 57.664 56.287 0.123 0.000 1.050 231 K CB -0.011 32.528 32.500 0.064 0.000 0.889 231 K HN 0.643 nan 8.250 nan 0.000 0.484 232 G N 3.180 112.044 108.800 0.106 0.000 2.166 232 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.260 232 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.260 232 G C 0.519 175.476 174.900 0.096 0.000 0.986 232 G CA 1.028 46.179 45.100 0.084 0.000 0.683 232 G HN 0.778 nan 8.290 nan 0.000 0.527 233 Q N -1.698 118.186 119.800 0.139 0.000 2.527 233 Q HA 0.272 4.612 4.340 -0.000 0.000 0.252 233 Q C 1.189 177.268 176.000 0.131 0.000 0.827 233 Q CA 0.109 55.998 55.803 0.144 0.000 0.979 233 Q CB 0.944 29.796 28.738 0.189 0.000 1.248 233 Q HN 0.467 nan 8.270 nan 0.000 0.578 234 R N 0.618 121.206 120.500 0.146 0.000 2.725 234 R HA 0.386 4.726 4.340 -0.000 0.000 0.277 234 R C -1.558 174.739 176.300 -0.007 0.000 0.987 234 R CA -0.683 55.398 56.100 -0.031 0.000 0.901 234 R CB 1.796 31.875 30.300 -0.368 0.000 1.207 234 R HN -0.013 nan 8.270 nan 0.000 0.463 235 D N 1.767 122.097 120.400 -0.117 0.000 2.168 235 D HA 0.356 4.995 4.640 -0.000 0.000 0.246 235 D C -0.686 175.457 176.300 -0.262 0.000 1.050 235 D CA 0.070 54.046 54.000 -0.041 0.000 0.857 235 D CB 1.319 42.117 40.800 -0.003 0.000 1.169 235 D HN 0.141 nan 8.370 nan 0.000 0.453 236 F N 0.805 120.763 119.950 0.013 0.000 2.538 236 F HA 0.372 4.899 4.527 -0.000 0.000 0.325 236 F C 0.714 176.531 175.800 0.029 0.000 1.066 236 F CA -0.587 57.414 58.000 0.003 0.000 0.946 236 F CB 1.766 40.763 39.000 -0.005 0.000 1.199 236 F HN 0.222 nan 8.300 nan 0.000 0.473 237 Q N -0.005 119.917 119.800 0.202 0.000 2.737 237 Q HA 0.327 4.667 4.340 -0.000 0.000 0.307 237 Q C -1.613 174.502 176.000 0.192 0.000 0.905 237 Q CA -1.290 54.612 55.803 0.165 0.000 0.753 237 Q CB 1.695 30.494 28.738 0.103 0.000 1.463 237 Q HN 0.609 nan 8.270 nan 0.000 0.455 238 Q N 0.952 120.882 119.800 0.217 0.000 2.332 238 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 238 Q C -0.529 175.541 176.000 0.116 0.000 0.979 238 Q CA -0.261 55.674 55.803 0.221 0.000 0.885 238 Q CB 0.564 29.397 28.738 0.158 0.000 1.218 238 Q HN 0.592 nan 8.270 nan 0.000 0.405 239 I N 6.674 127.294 120.570 0.082 0.000 2.826 239 I HA -0.084 4.086 4.170 -0.000 0.000 0.295 239 I C -1.970 174.171 176.117 0.040 0.000 1.213 239 I CA -1.235 60.092 61.300 0.046 0.000 1.436 239 I CB 0.174 38.176 38.000 0.002 0.000 1.348 239 I HN 0.465 nan 8.210 nan 0.000 0.570 240 P HA 0.236 nan 4.420 nan 0.000 0.271 240 P C -0.978 176.321 177.300 -0.002 0.000 1.226 240 P CA 0.121 63.229 63.100 0.013 0.000 0.765 240 P CB 0.467 32.161 31.700 -0.009 0.000 0.835 241 L N 2.326 123.556 121.223 0.011 0.000 2.385 241 L HA 0.630 4.970 4.340 -0.000 0.000 0.273 241 L C 0.258 177.119 176.870 -0.015 0.000 0.990 241 L CA -1.187 53.654 54.840 0.002 0.000 0.821 241 L CB 2.130 44.262 42.059 0.123 0.000 1.279 241 L HN 0.247 nan 8.230 nan 0.000 0.412 242 A N 3.133 125.898 122.820 -0.092 0.000 2.539 242 A HA 0.759 5.079 4.320 -0.000 0.000 0.306 242 A C 0.072 177.674 177.584 0.029 0.000 1.392 242 A CA 0.179 52.206 52.037 -0.017 0.000 1.060 242 A CB -0.317 18.623 19.000 -0.101 0.000 1.134 242 A HN 0.830 nan 8.150 nan 0.000 0.542 243 A N 2.079 124.889 122.820 -0.017 0.000 2.590 243 A HA 0.717 5.037 4.320 -0.000 0.000 0.294 243 A C -0.511 176.961 177.584 -0.187 0.000 1.046 243 A CA -0.483 51.449 52.037 -0.175 0.000 0.684 243 A CB 0.665 19.370 19.000 -0.492 0.000 1.279 243 A HN 0.718 nan 8.150 nan 0.000 0.415 244 T N 1.391 115.802 114.554 -0.238 0.000 2.840 244 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 244 T C -0.069 174.466 174.700 -0.274 0.000 0.991 244 T CA -0.425 61.559 62.100 -0.195 0.000 0.964 244 T CB 1.230 70.043 68.868 -0.093 0.000 0.954 244 T HN 0.721 nan 8.240 nan 0.000 0.438 245 R N 2.291 122.617 120.500 -0.290 0.000 2.442 245 R HA 0.245 4.585 4.340 -0.000 0.000 0.291 245 R C 0.749 176.956 176.300 -0.155 0.000 1.069 245 R CA -0.384 55.539 56.100 -0.296 0.000 1.022 245 R CB 0.371 30.468 30.300 -0.340 0.000 0.976 245 R HN 0.396 nan 8.270 nan 0.000 0.443 246 R N 1.114 121.573 120.500 -0.067 0.000 2.279 246 R HA 0.137 4.477 4.340 -0.000 0.000 0.195 246 R C 0.185 176.475 176.300 -0.017 0.000 0.905 246 R CA 0.552 56.649 56.100 -0.005 0.000 1.044 246 R CB 0.364 30.716 30.300 0.087 0.000 1.056 246 R HN 0.739 nan 8.270 nan 0.000 0.535 247 S N -1.429 114.265 115.700 -0.010 0.000 2.611 247 S HA 0.387 4.857 4.470 -0.000 0.000 0.268 247 S C -2.595 171.975 174.600 -0.049 0.000 1.156 247 S CA -1.056 57.131 58.200 -0.021 0.000 0.817 247 S CB 2.196 65.401 63.200 0.009 0.000 1.122 247 S HN -0.282 nan 8.310 nan 0.000 0.466 248 P HA -0.019 nan 4.420 nan 0.000 0.219 248 P C 1.165 178.436 177.300 -0.049 0.000 1.146 248 P CA 2.038 65.099 63.100 -0.065 0.000 0.808 248 P CB -0.177 31.505 31.700 -0.029 0.000 0.779 249 T N -7.030 107.528 114.554 0.007 0.000 3.040 249 T HA 0.253 4.602 4.350 -0.000 0.000 0.266 249 T C -0.097 174.660 174.700 0.095 0.000 1.005 249 T CA -0.324 61.800 62.100 0.041 0.000 0.906 249 T CB -0.490 68.422 68.868 0.073 0.000 1.082 249 T HN -0.128 nan 8.240 nan 0.000 0.531 250 F N 1.631 121.516 119.950 -0.108 0.000 2.547 250 F HA 0.670 5.197 4.527 -0.000 0.000 0.316 250 F C -1.455 174.207 175.800 -0.230 0.000 1.121 250 F CA -1.105 56.822 58.000 -0.122 0.000 0.911 250 F CB 2.037 40.983 39.000 -0.090 0.000 1.179 250 F HN -0.136 nan 8.300 nan 0.000 0.443 251 V N 4.933 124.354 119.914 -0.821 0.000 2.487 251 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 251 V C -0.519 174.961 176.094 -1.022 0.000 1.028 251 V CA -0.892 60.886 62.300 -0.871 0.000 0.860 251 V CB 1.686 32.807 31.823 -1.170 0.000 0.991 251 V HN 0.724 nan 8.190 nan 0.000 0.427 252 E N 4.200 124.075 120.200 -0.541 0.000 1.996 252 E HA 0.200 4.550 4.350 -0.000 0.000 0.280 252 E C -1.104 175.280 176.600 -0.359 0.000 1.092 252 E CA -0.519 55.723 56.400 -0.264 0.000 0.862 252 E CB 0.473 30.176 29.700 0.005 0.000 1.066 252 E HN 0.615 nan 8.360 nan 0.000 0.396 253 W N 2.806 123.981 121.300 -0.209 0.000 2.218 253 W HA 0.170 4.830 4.660 -0.000 0.000 0.326 253 W C 0.630 177.161 176.519 0.021 0.000 1.276 253 W CA -0.516 56.688 57.345 -0.236 0.000 1.210 253 W CB 0.893 29.971 29.460 -0.637 0.000 1.143 253 W HN 0.307 nan 8.180 nan 0.000 0.563 254 S N 1.343 117.247 115.700 0.340 0.000 2.645 254 S HA 0.680 5.150 4.470 -0.000 0.000 0.266 254 S C 0.076 175.102 174.600 0.710 0.000 1.258 254 S CA -0.578 57.887 58.200 0.442 0.000 0.990 254 S CB 1.180 64.656 63.200 0.460 0.000 0.967 254 S HN 0.512 nan 8.310 nan 0.000 0.556 255 S N -0.268 115.800 115.700 0.613 0.000 2.724 255 S HA 0.668 5.138 4.470 -0.000 0.000 0.278 255 S C 0.779 175.578 174.600 0.331 0.000 1.190 255 S CA -0.299 58.211 58.200 0.516 0.000 0.860 255 S CB 0.483 63.900 63.200 0.362 0.000 1.206 255 S HN 0.707 nan 8.310 nan 0.000 0.507 256 A N 1.603 124.510 122.820 0.145 0.000 1.917 256 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 256 A C 1.994 179.622 177.584 0.074 0.000 1.182 256 A CA 2.182 54.261 52.037 0.070 0.000 0.633 256 A CB -1.591 17.416 19.000 0.012 0.000 0.819 256 A HN 0.864 nan 8.150 nan 0.000 0.448 257 N N -0.593 118.157 118.700 0.083 0.000 2.137 257 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 257 N C 1.545 177.076 175.510 0.034 0.000 1.017 257 N CA 2.084 55.158 53.050 0.040 0.000 0.859 257 N CB -0.227 38.297 38.487 0.060 0.000 1.002 257 N HN 0.480 nan 8.380 nan 0.000 0.428 258 T N 0.484 115.105 114.554 0.113 0.000 2.788 258 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 258 T C 2.067 176.795 174.700 0.047 0.000 1.044 258 T CA 1.139 63.308 62.100 0.116 0.000 1.139 258 T CB -0.185 68.828 68.868 0.242 0.000 0.867 258 T HN 0.068 nan 8.240 nan 0.000 0.454 259 V N -0.462 119.466 119.914 0.022 0.000 2.323 259 V HA 0.142 4.262 4.120 -0.000 0.000 0.244 259 V C 0.538 176.605 176.094 -0.045 0.000 1.041 259 V CA 1.004 63.252 62.300 -0.086 0.000 1.025 259 V CB -0.355 31.373 31.823 -0.158 0.000 0.656 259 V HN 0.476 nan 8.190 nan 0.000 0.451 260 F N 0.815 120.645 119.950 -0.200 0.000 2.604 260 F HA 0.396 4.923 4.527 -0.000 0.000 0.316 260 F C 0.194 175.879 175.800 -0.191 0.000 1.136 260 F CA -1.566 56.287 58.000 -0.245 0.000 0.989 260 F CB 1.500 40.307 39.000 -0.322 0.000 1.258 260 F HN 0.152 nan 8.300 nan 0.000 0.451 261 D N 4.589 124.546 120.400 -0.738 0.000 2.363 261 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 261 D C 1.166 177.202 176.300 -0.440 0.000 0.994 261 D CA 1.082 54.800 54.000 -0.471 0.000 0.890 261 D CB -0.027 40.540 40.800 -0.388 0.000 0.906 261 D HN 0.671 nan 8.370 nan 0.000 0.530 262 L N -1.968 118.843 121.223 -0.687 0.000 4.696 262 L HA -0.239 4.100 4.340 -0.000 0.000 0.425 262 L C -0.234 176.608 176.870 -0.047 0.000 1.115 262 L CA 0.436 55.144 54.840 -0.220 0.000 0.996 262 L CB -1.414 40.652 42.059 0.011 0.000 2.077 262 L HN 0.228 nan 8.230 nan 0.000 0.792 263 Q N 0.915 120.588 119.800 -0.211 0.000 2.332 263 Q HA 0.226 4.566 4.340 -0.000 0.000 0.263 263 Q C 0.397 176.452 176.000 0.092 0.000 0.979 263 Q CA 0.024 55.786 55.803 -0.069 0.000 0.885 263 Q CB 0.644 29.303 28.738 -0.131 0.000 1.218 263 Q HN 0.127 nan 8.270 nan 0.000 0.405 264 N N 1.755 120.508 118.700 0.088 0.000 2.441 264 N HA 0.103 4.843 4.740 -0.000 0.000 0.251 264 N C -0.394 175.179 175.510 0.104 0.000 1.242 264 N CA 0.338 53.450 53.050 0.104 0.000 0.898 264 N CB 0.575 39.036 38.487 -0.042 0.000 1.100 264 N HN 0.247 nan 8.380 nan 0.000 0.443 265 R N 1.110 121.698 120.500 0.147 0.000 2.744 265 R HA 0.487 4.827 4.340 -0.000 0.000 0.279 265 R C -2.489 173.869 176.300 0.097 0.000 0.977 265 R CA -1.552 54.624 56.100 0.126 0.000 0.906 265 R CB 2.091 32.497 30.300 0.176 0.000 1.197 265 R HN 0.416 nan 8.270 nan 0.000 0.463 266 P HA 0.126 nan 4.420 nan 0.000 0.275 266 P C -1.381 175.963 177.300 0.075 0.000 1.228 266 P CA -0.330 62.846 63.100 0.126 0.000 0.786 266 P CB 0.821 32.641 31.700 0.200 0.000 0.927 267 N N -0.816 117.918 118.700 0.057 0.000 2.774 267 N HA 0.219 4.959 4.740 -0.000 0.000 0.264 267 N C 0.647 176.166 175.510 0.016 0.000 1.415 267 N CA -0.756 52.310 53.050 0.026 0.000 0.815 267 N CB -0.420 38.071 38.487 0.007 0.000 1.514 267 N HN 0.050 nan 8.380 nan 0.000 0.523 268 T N -0.576 113.980 114.554 0.003 0.000 2.685 268 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 268 T C 0.170 174.865 174.700 -0.008 0.000 1.034 268 T CA 2.013 64.111 62.100 -0.003 0.000 1.149 268 T CB -0.509 68.353 68.868 -0.009 0.000 0.860 268 T HN 0.573 nan 8.240 nan 0.000 0.449 269 D N 0.684 121.074 120.400 -0.015 0.000 2.355 269 D HA 0.292 4.932 4.640 -0.000 0.000 0.218 269 D C 0.606 176.898 176.300 -0.014 0.000 1.004 269 D CA 0.305 54.292 54.000 -0.022 0.000 0.880 269 D CB 0.153 40.930 40.800 -0.038 0.000 0.911 269 D HN 0.407 nan 8.370 nan 0.000 0.528 270 A N 0.828 123.650 122.820 0.002 0.000 3.307 270 A HA 0.312 4.632 4.320 -0.000 0.000 0.289 270 A C -2.082 175.534 177.584 0.053 0.000 1.138 270 A CA -0.784 51.267 52.037 0.024 0.000 0.860 270 A CB 0.891 19.907 19.000 0.026 0.000 1.318 270 A HN -0.173 nan 8.150 nan 0.000 0.551 271 P HA -0.037 nan 4.420 nan 0.000 0.229 271 P C 0.456 177.801 177.300 0.075 0.000 1.160 271 P CA 1.157 64.284 63.100 0.045 0.000 0.777 271 P CB 0.542 32.240 31.700 -0.003 0.000 0.814 272 E N -0.283 119.964 120.200 0.079 0.000 2.498 272 E HA 0.144 4.494 4.350 -0.000 0.000 0.203 272 E C 0.418 177.210 176.600 0.320 0.000 1.013 272 E CA 0.099 56.565 56.400 0.110 0.000 0.927 272 E CB 0.217 29.920 29.700 0.006 0.000 1.012 272 E HN 0.478 nan 8.360 nan 0.000 0.482 273 E N 0.540 120.892 120.200 0.254 0.000 2.250 273 E HA 0.505 4.855 4.350 -0.000 0.000 0.265 273 E C -0.208 176.511 176.600 0.199 0.000 1.033 273 E CA -0.576 55.955 56.400 0.218 0.000 0.888 273 E CB 1.494 31.294 29.700 0.165 0.000 1.151 273 E HN -0.194 nan 8.360 nan 0.000 0.412 274 R N 1.652 122.240 120.500 0.146 0.000 2.500 274 R HA 0.429 4.769 4.340 -0.000 0.000 0.299 274 R C -1.637 174.775 176.300 0.187 0.000 1.038 274 R CA -0.533 55.614 56.100 0.078 0.000 0.903 274 R CB 1.006 31.253 30.300 -0.089 0.000 1.177 274 R HN 0.412 nan 8.270 nan 0.000 0.455 275 F N 2.251 122.206 119.950 0.008 0.000 2.623 275 F HA 0.412 4.939 4.527 -0.000 0.000 0.323 275 F C -1.742 174.000 175.800 -0.096 0.000 1.158 275 F CA -0.598 57.392 58.000 -0.016 0.000 1.030 275 F CB 1.932 40.991 39.000 0.098 0.000 1.280 275 F HN 0.392 nan 8.300 nan 0.000 0.474 276 N N 4.697 122.748 118.700 -1.081 0.000 2.296 276 N HA 0.596 5.336 4.740 -0.000 0.000 0.294 276 N C -2.010 172.508 175.510 -1.653 0.000 1.033 276 N CA -0.663 51.711 53.050 -1.127 0.000 0.839 276 N CB 2.373 40.355 38.487 -0.841 0.000 1.395 276 N HN 0.570 nan 8.380 nan 0.000 0.479 277 L N 2.647 123.121 121.223 -1.249 0.000 2.282 277 L HA 0.617 4.957 4.340 -0.000 0.000 0.288 277 L C -1.625 174.677 176.870 -0.947 0.000 1.033 277 L CA -0.207 54.114 54.840 -0.866 0.000 0.807 277 L CB 0.070 41.976 42.059 -0.255 0.000 1.209 277 L HN 0.463 nan 8.230 nan 0.000 0.423 278 F N 6.810 126.500 119.950 -0.434 0.000 2.443 278 F HA 0.521 5.048 4.527 -0.000 0.000 0.369 278 F C -2.074 173.664 175.800 -0.104 0.000 1.090 278 F CA -2.125 55.718 58.000 -0.261 0.000 1.129 278 F CB 0.587 39.401 39.000 -0.310 0.000 1.367 278 F HN 0.414 nan 8.300 nan 0.000 0.465 279 P HA 0.262 nan 4.420 nan 0.000 0.277 279 P C 0.077 177.423 177.300 0.075 0.000 1.271 279 P CA -0.194 62.938 63.100 0.054 0.000 0.795 279 P CB 0.995 32.707 31.700 0.021 0.000 1.101 280 A N -1.273 121.575 122.820 0.047 0.000 2.745 280 A HA -0.094 4.226 4.320 -0.000 0.000 0.296 280 A C -0.072 177.529 177.584 0.029 0.000 1.500 280 A CA 0.802 52.859 52.037 0.033 0.000 0.766 280 A CB -2.409 16.611 19.000 0.033 0.000 1.030 280 A HN 0.265 nan 8.150 nan 0.000 0.489 281 V N -0.214 119.731 119.914 0.053 0.000 2.409 281 V HA 0.647 4.767 4.120 -0.000 0.000 0.290 281 V C 0.576 176.667 176.094 -0.005 0.000 1.017 281 V CA -0.314 62.013 62.300 0.045 0.000 0.841 281 V CB 1.465 33.397 31.823 0.181 0.000 1.003 281 V HN 1.468 nan 8.190 nan 0.000 0.426 282 A N 4.255 127.050 122.820 -0.042 0.000 2.347 282 A HA 0.454 4.774 4.320 -0.000 0.000 0.287 282 A C 0.169 177.724 177.584 -0.048 0.000 1.199 282 A CA -0.132 51.868 52.037 -0.061 0.000 0.851 282 A CB -0.101 18.906 19.000 0.012 0.000 1.118 282 A HN 0.854 nan 8.150 nan 0.000 0.525 283 C N 2.702 121.952 119.300 -0.084 0.000 2.415 283 C HA 0.371 4.831 4.460 -0.000 0.000 0.369 283 C C 1.355 176.315 174.990 -0.049 0.000 1.279 283 C CA -0.238 58.721 59.018 -0.099 0.000 1.886 283 C CB -0.205 27.468 27.740 -0.111 0.000 2.468 283 C HN 1.014 nan 8.230 nan 0.000 0.553 284 E N 0.727 120.923 120.200 -0.007 0.000 2.391 284 E HA 0.127 4.477 4.350 -0.000 0.000 0.206 284 E C -0.016 176.591 176.600 0.012 0.000 0.851 284 E CA 0.308 56.725 56.400 0.029 0.000 1.059 284 E CB 0.543 30.307 29.700 0.107 0.000 1.065 284 E HN 0.660 nan 8.360 nan 0.000 0.512 285 R N 0.693 121.207 120.500 0.024 0.000 2.604 285 R HA 0.333 4.673 4.340 -0.000 0.000 0.270 285 R C -0.925 175.361 176.300 -0.025 0.000 1.052 285 R CA -0.664 55.432 56.100 -0.008 0.000 0.902 285 R CB 2.123 32.408 30.300 -0.025 0.000 1.233 285 R HN -0.120 nan 8.270 nan 0.000 0.455 286 V N -0.475 119.404 119.914 -0.060 0.000 2.481 286 V HA 0.533 4.653 4.120 -0.000 0.000 0.286 286 V C 0.146 176.182 176.094 -0.098 0.000 1.042 286 V CA -0.814 61.411 62.300 -0.126 0.000 0.928 286 V CB 1.621 33.331 31.823 -0.188 0.000 0.986 286 V HN 0.452 nan 8.190 nan 0.000 0.462 287 V N 5.834 125.675 119.914 -0.122 0.000 2.348 287 V HA 0.403 4.523 4.120 -0.000 0.000 0.270 287 V C 0.749 176.812 176.094 -0.051 0.000 1.037 287 V CA -0.414 61.841 62.300 -0.076 0.000 0.872 287 V CB 0.513 32.305 31.823 -0.051 0.000 1.002 287 V HN 0.913 nan 8.190 nan 0.000 0.464 288 R N 3.818 124.308 120.500 -0.017 0.000 2.490 288 R HA 0.237 4.577 4.340 -0.000 0.000 0.280 288 R C 0.338 176.680 176.300 0.071 0.000 1.077 288 R CA -0.500 55.659 56.100 0.098 0.000 1.065 288 R CB 0.583 30.914 30.300 0.051 0.000 1.003 288 R HN 0.862 nan 8.270 nan 0.000 0.470 289 N N 1.388 120.147 118.700 0.098 0.000 2.354 289 N HA 0.011 4.751 4.740 -0.000 0.000 0.246 289 N C 0.523 176.037 175.510 0.008 0.000 1.285 289 N CA -0.025 53.045 53.050 0.034 0.000 0.925 289 N CB 0.472 38.971 38.487 0.021 0.000 1.174 289 N HN 0.571 nan 8.380 nan 0.000 0.478 290 A N 0.237 123.052 122.820 -0.009 0.000 2.070 290 A HA -0.039 4.280 4.320 -0.000 0.000 0.220 290 A C 1.989 179.553 177.584 -0.034 0.000 1.159 290 A CA 0.831 52.856 52.037 -0.020 0.000 0.656 290 A CB -0.751 18.237 19.000 -0.019 0.000 0.800 290 A HN 0.653 nan 8.150 nan 0.000 0.453 291 L N -1.218 119.975 121.223 -0.049 0.000 2.558 291 L HA 0.047 4.387 4.340 -0.000 0.000 0.225 291 L C 0.056 176.844 176.870 -0.138 0.000 1.128 291 L CA -0.090 54.704 54.840 -0.076 0.000 0.868 291 L CB -0.258 41.756 42.059 -0.074 0.000 1.006 291 L HN 0.358 nan 8.230 nan 0.000 0.454 292 N N 0.085 118.693 118.700 -0.153 0.000 2.756 292 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 292 N C 0.874 175.821 175.510 -0.939 0.000 1.062 292 N CA 1.029 53.889 53.050 -0.315 0.000 0.696 292 N CB -1.224 37.215 38.487 -0.079 0.000 0.946 292 N HN 0.520 nan 8.380 nan 0.000 0.548 293 S N -2.081 113.187 115.700 -0.721 0.000 2.604 293 S HA 0.264 4.734 4.470 -0.000 0.000 0.235 293 S C 0.327 174.653 174.600 -0.456 0.000 1.043 293 S CA -0.133 57.690 58.200 -0.628 0.000 0.997 293 S CB 1.620 64.667 63.200 -0.255 0.000 0.956 293 S HN 0.392 nan 8.310 nan 0.000 0.535 294 E N 0.277 120.345 120.200 -0.221 0.000 2.375 294 E HA 0.391 4.741 4.350 -0.000 0.000 0.280 294 E C -1.732 175.067 176.600 0.332 0.000 0.972 294 E CA -0.839 55.662 56.400 0.169 0.000 0.782 294 E CB 1.312 31.076 29.700 0.107 0.000 1.229 294 E HN 0.076 nan 8.360 nan 0.000 0.439 295 I N 3.685 124.418 120.570 0.272 0.000 2.371 295 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 295 I C 0.977 177.053 176.117 -0.069 0.000 1.028 295 I CA 0.141 61.419 61.300 -0.036 0.000 1.345 295 I CB 1.088 38.821 38.000 -0.444 0.000 1.407 295 I HN 0.675 nan 8.210 nan 0.000 0.501 296 E N 3.449 123.615 120.200 -0.056 0.000 2.340 296 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 296 E C 0.440 177.083 176.600 0.073 0.000 0.996 296 E CA 0.367 56.794 56.400 0.044 0.000 0.869 296 E CB 0.510 30.237 29.700 0.044 0.000 0.835 296 E HN 0.744 nan 8.360 nan 0.000 0.493 297 S N -0.602 115.062 115.700 -0.059 0.000 2.615 297 S HA 0.477 4.947 4.470 -0.000 0.000 0.268 297 S C -1.591 172.987 174.600 -0.036 0.000 1.146 297 S CA -1.078 57.164 58.200 0.071 0.000 0.818 297 S CB 1.131 64.395 63.200 0.106 0.000 1.111 297 S HN 0.013 nan 8.310 nan 0.000 0.465 298 L N 1.910 123.199 121.223 0.109 0.000 2.325 298 L HA 0.680 5.020 4.340 -0.000 0.000 0.281 298 L C -0.861 176.014 176.870 0.009 0.000 1.004 298 L CA -0.161 54.697 54.840 0.031 0.000 0.823 298 L CB 1.292 43.400 42.059 0.082 0.000 1.236 298 L HN 1.005 nan 8.230 nan 0.000 0.415 299 H N 5.280 124.305 119.070 -0.075 0.000 2.620 299 H HA 0.624 5.180 4.556 -0.000 0.000 0.313 299 H C -0.508 174.772 175.328 -0.080 0.000 1.075 299 H CA -0.062 55.951 56.048 -0.058 0.000 1.397 299 H CB 0.758 30.490 29.762 -0.050 0.000 1.446 299 H HN 0.678 nan 8.280 nan 0.000 0.493 300 I N 1.540 121.859 120.570 -0.418 0.000 2.785 300 I HA 0.409 4.579 4.170 -0.000 0.000 0.302 300 I C -1.159 174.873 176.117 -0.141 0.000 1.069 300 I CA -0.971 60.169 61.300 -0.267 0.000 1.045 300 I CB 2.509 40.282 38.000 -0.379 0.000 1.236 300 I HN 0.640 nan 8.210 nan 0.000 0.429 301 H N 3.758 122.755 119.070 -0.122 0.000 2.708 301 H HA 0.232 4.788 4.556 -0.000 0.000 0.320 301 H C -1.447 173.896 175.328 0.025 0.000 0.991 301 H CA -0.699 55.327 56.048 -0.038 0.000 1.243 301 H CB 1.402 31.164 29.762 0.001 0.000 1.446 301 H HN 0.780 nan 8.280 nan 0.000 0.502 302 D N 5.813 126.232 120.400 0.033 0.000 2.338 302 D HA -0.000 4.640 4.640 -0.000 0.000 0.255 302 D C 1.047 177.202 176.300 -0.241 0.000 1.237 302 D CA -0.149 53.828 54.000 -0.037 0.000 0.883 302 D CB 0.994 41.868 40.800 0.123 0.000 1.087 302 D HN 0.685 nan 8.370 nan 0.000 0.485 303 L N 3.981 125.057 121.223 -0.246 0.000 2.291 303 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 303 L C 1.817 178.619 176.870 -0.114 0.000 1.120 303 L CA 0.147 54.822 54.840 -0.275 0.000 0.799 303 L CB -0.067 41.925 42.059 -0.111 0.000 0.925 303 L HN 0.505 nan 8.230 nan 0.000 0.446 304 I N -0.549 119.993 120.570 -0.046 0.000 2.385 304 I HA -0.129 4.041 4.170 -0.000 0.000 0.244 304 I C 2.747 178.872 176.117 0.015 0.000 1.089 304 I CA 1.563 62.862 61.300 -0.001 0.000 1.410 304 I CB -1.104 36.908 38.000 0.020 0.000 1.117 304 I HN 0.234 nan 8.210 nan 0.000 0.429 305 S N 0.402 116.123 115.700 0.033 0.000 2.436 305 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 305 S C 1.862 176.496 174.600 0.057 0.000 1.014 305 S CA 0.890 59.123 58.200 0.056 0.000 0.950 305 S CB -0.163 63.095 63.200 0.096 0.000 0.784 305 S HN 0.602 nan 8.310 nan 0.000 0.504 306 G N 0.988 109.816 108.800 0.048 0.000 2.199 306 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 306 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 306 G C -0.393 174.615 174.900 0.181 0.000 0.982 306 G CA 0.178 45.353 45.100 0.124 0.000 0.632 306 G HN 0.574 nan 8.290 nan 0.000 0.529 307 D N 0.541 121.007 120.400 0.111 0.000 2.339 307 D HA 0.509 5.149 4.640 -0.000 0.000 0.245 307 D C 0.868 177.141 176.300 -0.046 0.000 1.115 307 D CA 0.077 54.057 54.000 -0.034 0.000 0.917 307 D CB 0.602 41.300 40.800 -0.169 0.000 1.192 307 D HN 0.338 nan 8.370 nan 0.000 0.428 308 R N 1.225 121.563 120.500 -0.271 0.000 2.445 308 R HA 0.555 4.895 4.340 -0.000 0.000 0.308 308 R C -0.714 175.251 176.300 -0.559 0.000 0.961 308 R CA -0.603 55.336 56.100 -0.269 0.000 0.862 308 R CB 1.095 31.299 30.300 -0.161 0.000 1.144 308 R HN 0.306 nan 8.270 nan 0.000 0.447 309 F N 0.127 119.912 119.950 -0.276 0.000 2.620 309 F HA 0.353 4.880 4.527 -0.000 0.000 0.320 309 F C 0.292 175.941 175.800 -0.251 0.000 1.069 309 F CA -1.012 56.872 58.000 -0.194 0.000 0.953 309 F CB 1.857 40.762 39.000 -0.158 0.000 1.322 309 F HN 0.155 nan 8.300 nan 0.000 0.479 310 E N 2.177 122.457 120.200 0.132 0.000 2.171 310 E HA 0.427 4.777 4.350 -0.000 0.000 0.271 310 E C -1.025 175.635 176.600 0.100 0.000 0.916 310 E CA -0.529 55.933 56.400 0.103 0.000 0.774 310 E CB 2.465 32.250 29.700 0.142 0.000 1.128 310 E HN 0.259 nan 8.360 nan 0.000 0.403 311 I N 2.326 122.933 120.570 0.061 0.000 2.377 311 I HA 0.275 4.445 4.170 -0.000 0.000 0.293 311 I C 0.296 176.528 176.117 0.192 0.000 0.987 311 I CA -0.908 60.453 61.300 0.102 0.000 1.185 311 I CB 1.328 39.342 38.000 0.024 0.000 1.341 311 I HN 0.299 nan 8.210 nan 0.000 0.455 312 K N 4.627 125.141 120.400 0.190 0.000 2.130 312 K HA 0.810 5.130 4.320 -0.000 0.000 0.268 312 K C -0.894 175.788 176.600 0.136 0.000 0.983 312 K CA -0.261 56.151 56.287 0.208 0.000 0.893 312 K CB 1.592 34.180 32.500 0.147 0.000 1.066 312 K HN 0.811 nan 8.250 nan 0.000 0.450 313 A N 2.690 125.509 122.820 -0.001 0.000 2.593 313 A HA 0.367 4.687 4.320 -0.000 0.000 0.290 313 A C -0.532 176.924 177.584 -0.212 0.000 1.126 313 A CA -0.699 51.204 52.037 -0.223 0.000 0.695 313 A CB 1.074 19.733 19.000 -0.569 0.000 1.290 313 A HN 0.787 nan 8.150 nan 0.000 0.414 314 D N -0.581 119.729 120.400 -0.150 0.000 2.162 314 D HA 0.124 4.763 4.640 -0.000 0.000 0.203 314 D C 0.313 176.485 176.300 -0.213 0.000 0.967 314 D CA 1.692 55.658 54.000 -0.058 0.000 0.840 314 D CB 0.172 40.987 40.800 0.025 0.000 0.972 314 D HN 0.227 nan 8.370 nan 0.000 0.482 315 V N 0.497 120.139 119.914 -0.453 0.000 2.709 315 V HA 0.307 4.427 4.120 -0.000 0.000 0.308 315 V C -1.304 174.512 176.094 -0.463 0.000 1.062 315 V CA -0.915 61.129 62.300 -0.427 0.000 0.901 315 V CB 1.921 33.375 31.823 -0.614 0.000 1.003 315 V HN -0.071 nan 8.190 nan 0.000 0.425 316 Y N 2.664 122.957 120.300 -0.012 0.000 2.350 316 Y HA 0.740 5.290 4.550 -0.000 0.000 0.338 316 Y C -0.185 175.691 175.900 -0.041 0.000 0.961 316 Y CA -0.974 57.106 58.100 -0.033 0.000 1.100 316 Y CB 2.233 40.677 38.460 -0.026 0.000 1.179 316 Y HN 0.352 nan 8.280 nan 0.000 0.454 317 V N 5.380 125.272 119.914 -0.036 0.000 2.483 317 V HA 0.405 4.525 4.120 -0.000 0.000 0.297 317 V C -0.612 175.352 176.094 -0.216 0.000 1.027 317 V CA -0.920 61.242 62.300 -0.230 0.000 0.855 317 V CB 1.746 33.216 31.823 -0.587 0.000 0.995 317 V HN 0.593 nan 8.190 nan 0.000 0.424 318 L N 4.993 126.088 121.223 -0.214 0.000 2.280 318 L HA 0.627 4.967 4.340 -0.000 0.000 0.287 318 L C 0.324 177.094 176.870 -0.166 0.000 1.023 318 L CA -0.196 54.539 54.840 -0.176 0.000 0.819 318 L CB 1.677 43.619 42.059 -0.195 0.000 1.212 318 L HN 0.819 nan 8.230 nan 0.000 0.420 319 T N -1.574 112.919 114.554 -0.102 0.000 3.741 319 T HA 0.356 4.706 4.350 -0.000 0.000 0.242 319 T C 0.561 175.267 174.700 0.010 0.000 1.042 319 T CA -0.116 61.963 62.100 -0.034 0.000 1.278 319 T CB 0.981 69.833 68.868 -0.027 0.000 0.994 319 T HN 0.543 nan 8.240 nan 0.000 0.594 320 A N 0.785 123.619 122.820 0.023 0.000 2.337 320 A HA 0.776 5.096 4.320 -0.000 0.000 0.227 320 A C 1.393 179.052 177.584 0.125 0.000 1.259 320 A CA 0.119 52.189 52.037 0.055 0.000 0.870 320 A CB -0.764 18.263 19.000 0.044 0.000 0.927 320 A HN 1.759 nan 8.150 nan 0.000 0.497 321 G N -2.582 106.296 108.800 0.131 0.000 2.663 321 G HA2 0.271 4.231 3.960 -0.000 0.000 0.686 321 G HA3 0.271 4.231 3.960 -0.000 0.000 0.686 321 G C 0.705 175.722 174.900 0.195 0.000 1.288 321 G CA -0.328 44.867 45.100 0.158 0.000 0.836 321 G HN 1.241 nan 8.290 nan 0.000 0.584 322 A N -0.581 122.343 122.820 0.173 0.000 1.968 322 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 322 A C 2.613 180.297 177.584 0.166 0.000 1.169 322 A CA 2.966 55.100 52.037 0.162 0.000 0.638 322 A CB -0.308 18.755 19.000 0.105 0.000 0.812 322 A HN 1.557 nan 8.150 nan 0.000 0.446 323 V N -0.782 119.198 119.914 0.110 0.000 2.302 323 V HA -0.210 3.910 4.120 -0.000 0.000 0.243 323 V C 2.249 178.354 176.094 0.018 0.000 1.036 323 V CA 2.225 64.542 62.300 0.029 0.000 1.020 323 V CB -1.067 30.658 31.823 -0.164 0.000 0.657 323 V HN 0.723 nan 8.190 nan 0.000 0.453 324 H N -0.183 118.968 119.070 0.135 0.000 2.470 324 H HA -0.020 4.536 4.556 -0.000 0.000 0.289 324 H C 2.297 177.627 175.328 0.003 0.000 1.033 324 H CA 0.985 57.070 56.048 0.061 0.000 1.331 324 H CB 0.041 29.822 29.762 0.031 0.000 1.414 324 H HN 0.320 nan 8.280 nan 0.000 0.545 325 N N -0.071 118.707 118.700 0.129 0.000 2.094 325 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 325 N C 1.735 177.230 175.510 -0.024 0.000 1.023 325 N CA 1.871 54.925 53.050 0.006 0.000 0.857 325 N CB -0.524 37.937 38.487 -0.043 0.000 1.013 325 N HN 0.344 nan 8.380 nan 0.000 0.426 326 T N 0.692 115.303 114.554 0.095 0.000 2.821 326 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 326 T C 1.838 176.380 174.700 -0.263 0.000 1.046 326 T CA 1.012 63.154 62.100 0.068 0.000 1.139 326 T CB -0.147 68.904 68.868 0.304 0.000 0.871 326 T HN 0.360 nan 8.240 nan 0.000 0.454 327 Q N 0.452 120.009 119.800 -0.404 0.000 2.084 327 Q HA -0.037 4.303 4.340 -0.000 0.000 0.202 327 Q C 2.337 178.078 176.000 -0.432 0.000 0.978 327 Q CA 1.065 56.346 55.803 -0.870 0.000 0.844 327 Q CB -0.277 28.262 28.738 -0.332 0.000 0.898 327 Q HN 0.503 nan 8.270 nan 0.000 0.426 328 L N 0.376 121.475 121.223 -0.206 0.000 2.046 328 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 328 L C 2.224 179.016 176.870 -0.130 0.000 1.077 328 L CA 0.974 55.733 54.840 -0.135 0.000 0.747 328 L CB -0.127 41.873 42.059 -0.098 0.000 0.896 328 L HN 0.327 nan 8.230 nan 0.000 0.432 329 L N -1.371 119.754 121.223 -0.163 0.000 2.046 329 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 329 L C 2.420 179.334 176.870 0.072 0.000 1.077 329 L CA 0.911 55.689 54.840 -0.104 0.000 0.747 329 L CB -0.537 41.352 42.059 -0.283 0.000 0.896 329 L HN 0.092 nan 8.230 nan 0.000 0.432 330 V N -0.148 119.723 119.914 -0.072 0.000 2.427 330 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 330 V C 2.070 178.133 176.094 -0.051 0.000 1.051 330 V CA 1.812 64.086 62.300 -0.044 0.000 1.048 330 V CB -0.690 31.050 31.823 -0.138 0.000 0.666 330 V HN 0.478 nan 8.190 nan 0.000 0.456 331 N N 0.115 118.750 118.700 -0.108 0.000 2.520 331 N HA -0.096 4.644 4.740 -0.000 0.000 0.185 331 N C 1.480 176.968 175.510 -0.036 0.000 1.068 331 N CA 1.081 54.093 53.050 -0.064 0.000 0.911 331 N CB -0.031 38.412 38.487 -0.074 0.000 0.961 331 N HN 0.395 nan 8.380 nan 0.000 0.446 332 S N -1.632 114.068 115.700 -0.000 0.000 2.557 332 S HA 0.347 4.817 4.470 -0.000 0.000 0.223 332 S C 1.052 175.606 174.600 -0.076 0.000 0.969 332 S CA 0.188 58.390 58.200 0.003 0.000 0.927 332 S CB 0.675 63.937 63.200 0.104 0.000 0.806 332 S HN 0.519 nan 8.310 nan 0.000 0.489 333 G N 1.067 109.826 108.800 -0.069 0.000 2.159 333 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.227 333 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.227 333 G C -0.094 174.656 174.900 -0.250 0.000 0.986 333 G CA -0.567 44.433 45.100 -0.166 0.000 0.651 333 G HN 0.409 nan 8.290 nan 0.000 0.523 334 F N 0.847 120.759 119.950 -0.064 0.000 2.377 334 F HA 0.580 5.107 4.527 -0.000 0.000 0.328 334 F C 1.575 177.375 175.800 0.001 0.000 1.094 334 F CA 0.784 58.758 58.000 -0.043 0.000 1.093 334 F CB 1.051 39.996 39.000 -0.091 0.000 1.214 334 F HN 0.758 nan 8.300 nan 0.000 0.518 335 G N 1.700 110.633 108.800 0.222 0.000 2.574 335 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.282 335 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.282 335 G C -0.736 174.233 174.900 0.115 0.000 1.257 335 G CA -0.131 45.069 45.100 0.166 0.000 0.956 335 G HN 0.788 nan 8.290 nan 0.000 0.560 336 Q N -0.947 118.926 119.800 0.122 0.000 2.292 336 Q HA 0.594 4.934 4.340 -0.000 0.000 0.270 336 Q C -0.903 175.172 176.000 0.126 0.000 1.024 336 Q CA -0.997 54.857 55.803 0.085 0.000 0.768 336 Q CB 1.662 30.429 28.738 0.048 0.000 1.250 336 Q HN 0.749 nan 8.270 nan 0.000 0.447 337 L N 3.668 124.954 121.223 0.106 0.000 2.349 337 L HA 0.732 5.072 4.340 -0.000 0.000 0.275 337 L C 0.289 177.232 176.870 0.121 0.000 1.115 337 L CA 1.739 56.668 54.840 0.149 0.000 0.820 337 L CB 0.906 43.024 42.059 0.099 0.000 1.135 337 L HN 0.807 nan 8.230 nan 0.000 0.445 338 G N 3.815 112.737 108.800 0.203 0.000 2.631 338 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.504 338 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.504 338 G C -0.646 174.104 174.900 -0.251 0.000 1.306 338 G CA -0.308 44.855 45.100 0.105 0.000 0.897 338 G HN 0.920 nan 8.290 nan 0.000 0.520 339 R N 0.790 120.933 120.500 -0.596 0.000 2.522 339 R HA 0.392 4.732 4.340 -0.000 0.000 0.284 339 R C -1.913 173.923 176.300 -0.773 0.000 1.032 339 R CA -0.576 54.751 56.100 -1.289 0.000 1.049 339 R CB 0.018 29.897 30.300 -0.700 0.000 0.956 339 R HN 0.354 nan 8.270 nan 0.000 0.422 340 P HA -0.047 nan 4.420 nan 0.000 0.265 340 P C -1.281 175.859 177.300 -0.267 0.000 1.193 340 P CA 0.343 63.193 63.100 -0.416 0.000 0.765 340 P CB 0.400 31.890 31.700 -0.351 0.000 0.823 341 N N 3.359 121.959 118.700 -0.166 0.000 2.675 341 N HA 0.181 4.921 4.740 -0.000 0.000 0.254 341 N C -1.954 173.513 175.510 -0.072 0.000 1.224 341 N CA -1.837 51.144 53.050 -0.115 0.000 0.777 341 N CB 1.050 39.475 38.487 -0.103 0.000 1.256 341 N HN 0.064 nan 8.380 nan 0.000 0.531 342 P HA -0.169 nan 4.420 nan 0.000 0.217 342 P C 1.030 178.312 177.300 -0.030 0.000 1.151 342 P CA 1.063 64.140 63.100 -0.039 0.000 0.849 342 P CB 0.138 31.816 31.700 -0.037 0.000 0.787 343 A N -1.092 121.707 122.820 -0.034 0.000 2.292 343 A HA -0.147 4.173 4.320 -0.000 0.000 0.209 343 A C 1.009 178.579 177.584 -0.023 0.000 1.209 343 A CA 0.860 52.881 52.037 -0.026 0.000 0.746 343 A CB -1.524 17.459 19.000 -0.028 0.000 0.764 343 A HN 0.396 nan 8.150 nan 0.000 0.492 344 N N -0.140 118.545 118.700 -0.025 0.000 2.732 344 N HA 0.159 4.899 4.740 -0.000 0.000 0.235 344 N C -3.193 172.309 175.510 -0.012 0.000 1.466 344 N CA -1.249 51.789 53.050 -0.019 0.000 0.751 344 N CB 1.020 39.493 38.487 -0.024 0.000 1.317 344 N HN -0.082 nan 8.380 nan 0.000 0.525 345 P HA 0.019 nan 4.420 nan 0.000 0.261 345 P C -2.499 174.807 177.300 0.011 0.000 1.165 345 P CA -0.293 62.811 63.100 0.006 0.000 0.759 345 P CB 0.091 31.797 31.700 0.009 0.000 0.772 346 P HA 0.100 nan 4.420 nan 0.000 0.274 346 P C 0.855 178.172 177.300 0.028 0.000 1.246 346 P CA -0.133 62.983 63.100 0.027 0.000 0.795 346 P CB 1.152 32.881 31.700 0.049 0.000 1.006 347 E N -0.216 119.994 120.200 0.017 0.000 2.107 347 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 347 E C 0.063 176.687 176.600 0.041 0.000 0.982 347 E CA 0.691 57.100 56.400 0.014 0.000 0.809 347 E CB 0.057 29.751 29.700 -0.010 0.000 0.756 347 E HN 0.363 nan 8.360 nan 0.000 0.459 348 L N 0.595 121.854 121.223 0.061 0.000 2.401 348 L HA 0.305 4.645 4.340 -0.000 0.000 0.266 348 L C -0.265 176.721 176.870 0.194 0.000 0.991 348 L CA -0.964 53.956 54.840 0.132 0.000 0.818 348 L CB 2.093 44.208 42.059 0.093 0.000 1.321 348 L HN 0.052 nan 8.230 nan 0.000 0.413 349 L N 2.772 124.130 121.223 0.226 0.000 3.823 349 L HA -0.175 4.165 4.340 -0.000 0.000 0.525 349 L C -1.386 175.587 176.870 0.172 0.000 1.247 349 L CA -0.424 54.547 54.840 0.218 0.000 0.776 349 L CB -0.832 41.390 42.059 0.271 0.000 1.443 349 L HN 0.604 nan 8.230 nan 0.000 0.831 350 P HA -0.128 nan 4.420 nan 0.000 0.221 350 P C 1.247 178.637 177.300 0.150 0.000 1.145 350 P CA 1.108 64.279 63.100 0.119 0.000 0.795 350 P CB 0.316 32.068 31.700 0.087 0.000 0.775 351 S N -0.718 115.088 115.700 0.177 0.000 2.558 351 S HA 0.064 4.534 4.470 -0.000 0.000 0.217 351 S C 0.828 175.578 174.600 0.250 0.000 0.975 351 S CA -0.413 57.935 58.200 0.247 0.000 0.912 351 S CB -0.671 62.665 63.200 0.226 0.000 0.776 351 S HN 0.060 nan 8.310 nan 0.000 0.526 352 L N 2.518 123.869 121.223 0.213 0.000 2.584 352 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 352 L C 1.206 178.216 176.870 0.234 0.000 1.195 352 L CA 1.143 56.113 54.840 0.217 0.000 0.920 352 L CB -0.583 41.593 42.059 0.195 0.000 1.173 352 L HN 0.356 nan 8.230 nan 0.000 0.489 353 G N 2.378 111.326 108.800 0.247 0.000 2.179 353 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 353 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 353 G C 0.463 175.491 174.900 0.213 0.000 0.977 353 G CA 0.329 45.577 45.100 0.248 0.000 0.641 353 G HN 0.817 nan 8.290 nan 0.000 0.533 354 S N -1.459 114.372 115.700 0.218 0.000 2.718 354 S HA 0.655 5.125 4.470 -0.000 0.000 0.300 354 S C 0.377 175.129 174.600 0.253 0.000 1.117 354 S CA 0.131 58.410 58.200 0.132 0.000 1.002 354 S CB 0.895 64.100 63.200 0.008 0.000 1.092 354 S HN 0.936 nan 8.310 nan 0.000 0.542 355 Y N -1.082 119.289 120.300 0.118 0.000 4.272 355 Y HA -0.199 4.351 4.550 -0.000 0.000 0.232 355 Y C 0.483 176.465 175.900 0.138 0.000 1.149 355 Y CA 0.175 58.343 58.100 0.113 0.000 1.961 355 Y CB -2.221 36.299 38.460 0.100 0.000 1.611 355 Y HN 0.619 nan 8.280 nan 0.000 0.682 356 I N -0.041 120.678 120.570 0.248 0.000 2.696 356 I HA 0.484 4.654 4.170 -0.000 0.000 0.284 356 I C 0.656 176.928 176.117 0.258 0.000 1.129 356 I CA 0.447 61.888 61.300 0.235 0.000 1.410 356 I CB 1.263 39.397 38.000 0.224 0.000 1.399 356 I HN 0.199 nan 8.210 nan 0.000 0.579 357 T N 1.830 116.494 114.554 0.185 0.000 2.876 357 T HA 0.690 5.040 4.350 -0.000 0.000 0.289 357 T C -0.669 174.033 174.700 0.003 0.000 1.014 357 T CA -0.691 61.500 62.100 0.152 0.000 0.986 357 T CB 2.080 71.003 68.868 0.092 0.000 1.021 357 T HN 0.834 nan 8.240 nan 0.000 0.458 358 E N 1.190 121.358 120.200 -0.052 0.000 2.356 358 E HA 0.373 4.723 4.350 -0.000 0.000 0.275 358 E C -1.139 175.544 176.600 0.139 0.000 0.904 358 E CA -0.595 55.746 56.400 -0.098 0.000 0.757 358 E CB 2.046 31.490 29.700 -0.426 0.000 1.232 358 E HN 0.709 nan 8.360 nan 0.000 0.442 359 Q N 1.034 120.933 119.800 0.164 0.000 2.293 359 Q HA 0.445 4.785 4.340 -0.000 0.000 0.251 359 Q C -0.427 175.768 176.000 0.325 0.000 0.930 359 Q CA -0.405 55.553 55.803 0.258 0.000 0.893 359 Q CB 1.324 30.241 28.738 0.297 0.000 1.215 359 Q HN 0.449 nan 8.270 nan 0.000 0.425 360 S N 1.471 117.300 115.700 0.216 0.000 2.576 360 S HA 0.337 4.807 4.470 -0.000 0.000 0.276 360 S C -0.735 173.901 174.600 0.060 0.000 1.339 360 S CA -0.415 57.771 58.200 -0.023 0.000 1.039 360 S CB 0.363 63.440 63.200 -0.205 0.000 0.902 360 S HN 0.382 nan 8.310 nan 0.000 0.516 361 L N 4.488 125.709 121.223 -0.004 0.000 2.476 361 L HA 0.652 4.992 4.340 -0.000 0.000 0.269 361 L C -0.884 175.832 176.870 -0.256 0.000 0.965 361 L CA -0.626 54.115 54.840 -0.165 0.000 0.845 361 L CB 1.524 43.459 42.059 -0.207 0.000 1.259 361 L HN 0.450 nan 8.230 nan 0.000 0.403 362 V N 1.906 121.596 119.914 -0.374 0.000 2.667 362 V HA 0.760 4.880 4.120 -0.000 0.000 0.308 362 V C -0.954 174.997 176.094 -0.237 0.000 1.048 362 V CA -0.660 61.343 62.300 -0.495 0.000 0.928 362 V CB 1.690 33.045 31.823 -0.780 0.000 1.004 362 V HN 0.781 nan 8.190 nan 0.000 0.444 363 F N 4.626 124.354 119.950 -0.369 0.000 2.596 363 F HA 0.852 5.379 4.527 -0.000 0.000 0.311 363 F C -0.371 175.324 175.800 -0.175 0.000 1.116 363 F CA -0.383 57.501 58.000 -0.193 0.000 0.957 363 F CB 1.474 40.394 39.000 -0.133 0.000 1.250 363 F HN 1.209 nan 8.300 nan 0.000 0.444 364 C N 3.058 121.869 119.300 -0.814 0.000 3.320 364 C HA 0.807 5.267 4.460 -0.000 0.000 0.335 364 C C -1.746 172.851 174.990 -0.655 0.000 1.430 364 C CA -0.696 57.801 59.018 -0.868 0.000 1.271 364 C CB 1.743 29.168 27.740 -0.525 0.000 1.609 364 C HN 0.924 nan 8.230 nan 0.000 0.457 365 Q N 0.705 120.291 119.800 -0.357 0.000 2.377 365 Q HA 0.743 5.083 4.340 -0.000 0.000 0.271 365 Q C -0.506 175.565 176.000 0.117 0.000 1.077 365 Q CA -0.210 55.591 55.803 -0.004 0.000 0.820 365 Q CB 2.710 31.433 28.738 -0.023 0.000 1.347 365 Q HN 0.935 nan 8.270 nan 0.000 0.444 366 T N -2.406 112.291 114.554 0.239 0.000 2.932 366 T HA 0.705 5.055 4.350 -0.000 0.000 0.289 366 T C -0.452 174.326 174.700 0.129 0.000 1.039 366 T CA -0.722 61.478 62.100 0.166 0.000 1.024 366 T CB 1.277 70.264 68.868 0.197 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.558 122.512 119.914 0.067 0.000 2.384 367 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 367 V C 0.315 176.433 176.094 0.040 0.000 1.020 367 V CA -0.946 61.385 62.300 0.051 0.000 0.850 367 V CB 1.213 33.053 31.823 0.028 0.000 0.987 367 V HN 1.010 nan 8.190 nan 0.000 0.436 368 M N 4.719 124.350 119.600 0.052 0.000 2.255 368 M HA 0.039 4.519 4.480 -0.000 0.000 0.356 368 M C 0.898 177.212 176.300 0.024 0.000 1.338 368 M CA 0.756 56.085 55.300 0.047 0.000 0.962 368 M CB 0.496 33.121 32.600 0.042 0.000 1.877 368 M HN 0.944 nan 8.290 nan 0.000 0.463 369 S N 2.570 118.281 115.700 0.018 0.000 2.563 369 S HA 0.041 4.511 4.470 -0.000 0.000 0.284 369 S C 1.056 175.663 174.600 0.011 0.000 1.331 369 S CA -0.067 58.134 58.200 0.002 0.000 1.047 369 S CB 0.468 63.665 63.200 -0.005 0.000 0.859 369 S HN 0.806 nan 8.310 nan 0.000 0.514 370 T N 2.191 116.747 114.554 0.004 0.000 2.665 370 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 370 T C 1.625 176.336 174.700 0.017 0.000 1.035 370 T CA 1.971 64.077 62.100 0.010 0.000 1.151 370 T CB -0.550 68.320 68.868 0.004 0.000 0.862 370 T HN 0.790 nan 8.240 nan 0.000 0.438 371 E N 0.564 120.771 120.200 0.011 0.000 2.085 371 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 371 E C 2.261 178.882 176.600 0.035 0.000 0.994 371 E CA 0.946 57.356 56.400 0.017 0.000 0.801 371 E CB -0.293 29.411 29.700 0.006 0.000 0.743 371 E HN 0.439 nan 8.360 nan 0.000 0.453 372 L N 0.689 121.936 121.223 0.040 0.000 2.093 372 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 372 L C 2.413 179.329 176.870 0.077 0.000 1.085 372 L CA 0.427 55.307 54.840 0.067 0.000 0.755 372 L CB -0.274 41.826 42.059 0.069 0.000 0.904 372 L HN 0.203 nan 8.230 nan 0.000 0.435 373 I N 0.049 120.651 120.570 0.053 0.000 2.226 373 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 373 I C 2.124 178.277 176.117 0.060 0.000 1.100 373 I CA 1.516 62.844 61.300 0.046 0.000 1.374 373 I CB -1.036 36.981 38.000 0.028 0.000 1.057 373 I HN 0.288 nan 8.210 nan 0.000 0.413 374 D N 0.674 121.108 120.400 0.057 0.000 2.178 374 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 374 D C 2.310 178.662 176.300 0.087 0.000 0.980 374 D CA 1.611 55.648 54.000 0.061 0.000 0.842 374 D CB -0.092 40.734 40.800 0.043 0.000 0.948 374 D HN 0.372 nan 8.370 nan 0.000 0.472 375 S N -0.168 115.596 115.700 0.107 0.000 2.474 375 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 375 S C 2.090 176.855 174.600 0.275 0.000 0.997 375 S CA 0.339 58.637 58.200 0.163 0.000 0.949 375 S CB -0.317 62.976 63.200 0.155 0.000 0.766 375 S HN 0.052 nan 8.310 nan 0.000 0.517 376 V N 2.874 122.922 119.914 0.224 0.000 2.490 376 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 376 V C 2.238 178.486 176.094 0.256 0.000 1.061 376 V CA 2.044 64.514 62.300 0.282 0.000 1.064 376 V CB -0.692 31.206 31.823 0.125 0.000 0.670 376 V HN 0.801 nan 8.190 nan 0.000 0.461 377 K N 0.295 120.794 120.400 0.165 0.000 2.493 377 K HA 0.150 4.470 4.320 -0.000 0.000 0.207 377 K C 1.561 178.225 176.600 0.106 0.000 1.033 377 K CA 0.690 57.054 56.287 0.128 0.000 1.161 377 K CB 0.123 32.680 32.500 0.095 0.000 0.873 377 K HN 0.430 nan 8.250 nan 0.000 0.491 378 S N 0.627 116.403 115.700 0.127 0.000 2.442 378 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 378 S C 0.840 175.457 174.600 0.028 0.000 1.007 378 S CA 1.084 59.320 58.200 0.061 0.000 0.965 378 S CB -0.176 63.039 63.200 0.024 0.000 0.773 378 S HN 0.297 nan 8.310 nan 0.000 0.504 379 D N 0.482 120.907 120.400 0.042 0.000 2.349 379 D HA 0.275 4.915 4.640 -0.000 0.000 0.214 379 D C -0.015 176.328 176.300 0.071 0.000 1.063 379 D CA 0.175 54.190 54.000 0.023 0.000 0.847 379 D CB 0.066 40.858 40.800 -0.014 0.000 0.933 379 D HN 0.339 nan 8.370 nan 0.000 0.513 380 M N 0.413 120.053 119.600 0.066 0.000 2.277 380 M HA 0.253 4.733 4.480 -0.000 0.000 0.350 380 M C 0.268 176.599 176.300 0.051 0.000 1.180 380 M CA -0.143 55.204 55.300 0.078 0.000 1.103 380 M CB 1.211 33.846 32.600 0.058 0.000 1.577 380 M HN -0.329 nan 8.290 nan 0.000 0.459 381 T N 4.257 118.836 114.554 0.041 0.000 2.767 381 T HA 0.715 5.064 4.350 -0.000 0.000 0.284 381 T C -0.056 174.622 174.700 -0.036 0.000 0.973 381 T CA -0.353 61.749 62.100 0.004 0.000 0.996 381 T CB 0.655 69.522 68.868 -0.002 0.000 0.927 381 T HN 0.432 nan 8.240 nan 0.000 0.456 382 I N 3.150 123.695 120.570 -0.042 0.000 2.418 382 I HA 0.443 4.612 4.170 -0.000 0.000 0.287 382 I C 0.310 176.380 176.117 -0.078 0.000 1.008 382 I CA -0.726 60.515 61.300 -0.098 0.000 1.104 382 I CB 1.622 39.605 38.000 -0.028 0.000 1.264 382 I HN 0.255 nan 8.210 nan 0.000 0.438 383 R N 3.886 124.301 120.500 -0.142 0.000 2.460 383 R HA 0.617 4.957 4.340 -0.000 0.000 0.303 383 R C 0.633 176.939 176.300 0.011 0.000 0.968 383 R CA 0.181 56.247 56.100 -0.057 0.000 0.889 383 R CB 1.837 32.101 30.300 -0.062 0.000 1.123 383 R HN 0.906 nan 8.270 nan 0.000 0.455 384 G N 1.442 110.285 108.800 0.072 0.000 2.611 384 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 384 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 384 G C -0.335 174.710 174.900 0.242 0.000 1.233 384 G CA 0.637 45.816 45.100 0.133 0.000 0.993 384 G HN 0.640 nan 8.290 nan 0.000 0.553 385 T N 1.752 116.486 114.554 0.299 0.000 3.109 385 T HA 0.615 4.965 4.350 -0.000 0.000 0.311 385 T C -3.019 171.623 174.700 -0.097 0.000 1.011 385 T CA -0.385 61.796 62.100 0.135 0.000 1.026 385 T CB 2.021 70.923 68.868 0.057 0.000 1.047 385 T HN 0.471 nan 8.240 nan 0.000 0.448 386 P HA 0.265 nan 4.420 nan 0.000 0.264 386 P C 1.147 178.174 177.300 -0.454 0.000 1.183 386 P CA 1.559 64.050 63.100 -1.015 0.000 0.763 386 P CB 0.337 31.644 31.700 -0.655 0.000 0.807 387 G N 2.066 110.638 108.800 -0.380 0.000 2.498 387 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.229 387 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.229 387 G C 0.277 175.132 174.900 -0.074 0.000 1.156 387 G CA 0.138 45.143 45.100 -0.158 0.000 0.680 387 G HN 0.636 nan 8.290 nan 0.000 0.512 388 E N 1.767 121.928 120.200 -0.064 0.000 2.290 388 E HA 0.510 4.860 4.350 -0.000 0.000 0.277 388 E C 2.093 178.724 176.600 0.052 0.000 1.035 388 E CA -0.056 56.345 56.400 0.001 0.000 0.873 388 E CB 0.136 29.840 29.700 0.007 0.000 1.029 388 E HN 0.346 nan 8.360 nan 0.000 0.419 389 L N 2.742 123.989 121.223 0.040 0.000 2.373 389 L HA -0.403 3.937 4.340 -0.000 0.000 0.228 389 L C 2.029 178.939 176.870 0.067 0.000 1.125 389 L CA 2.328 57.195 54.840 0.046 0.000 0.855 389 L CB -1.688 40.389 42.059 0.031 0.000 0.930 389 L HN 0.684 nan 8.230 nan 0.000 0.453 390 T N -5.066 109.537 114.554 0.080 0.000 3.223 390 T HA 0.076 4.426 4.350 -0.000 0.000 0.259 390 T C 0.064 174.835 174.700 0.117 0.000 1.015 390 T CA -0.467 61.678 62.100 0.075 0.000 0.908 390 T CB -0.374 68.528 68.868 0.056 0.000 1.054 390 T HN 0.180 nan 8.240 nan 0.000 0.567 391 Y N 2.402 122.702 120.300 0.001 0.000 2.436 391 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 391 Y C 0.148 176.050 175.900 0.003 0.000 1.049 391 Y CA -0.694 57.407 58.100 0.003 0.000 1.294 391 Y CB 0.620 39.080 38.460 -0.000 0.000 1.179 391 Y HN 0.271 nan 8.280 nan 0.000 0.520 392 S N 4.883 120.377 115.700 -0.343 0.000 2.538 392 S HA 0.781 5.251 4.470 -0.000 0.000 0.288 392 S C -1.913 172.407 174.600 -0.467 0.000 1.108 392 S CA -0.658 57.352 58.200 -0.317 0.000 0.971 392 S CB 0.967 64.085 63.200 -0.137 0.000 1.041 392 S HN 0.443 nan 8.310 nan 0.000 0.483 393 V N 4.334 124.051 119.914 -0.329 0.000 2.483 393 V HA 0.731 4.851 4.120 -0.000 0.000 0.297 393 V C -0.003 176.058 176.094 -0.055 0.000 1.027 393 V CA -0.440 61.731 62.300 -0.214 0.000 0.855 393 V CB 1.414 33.137 31.823 -0.166 0.000 0.995 393 V HN 1.064 nan 8.190 nan 0.000 0.424 394 T N 1.683 116.235 114.554 -0.003 0.000 2.841 394 T HA 0.897 5.247 4.350 -0.000 0.000 0.296 394 T C -1.066 173.733 174.700 0.164 0.000 1.166 394 T CA -0.810 61.325 62.100 0.058 0.000 1.007 394 T CB 2.390 71.243 68.868 -0.026 0.000 1.253 394 T HN 0.961 nan 8.240 nan 0.000 0.511 395 Y N -2.103 118.186 120.300 -0.017 0.000 2.656 395 Y HA 0.728 5.278 4.550 -0.000 0.000 0.334 395 Y C -1.151 174.741 175.900 -0.013 0.000 1.179 395 Y CA -1.238 56.853 58.100 -0.014 0.000 1.050 395 Y CB 0.839 39.298 38.460 -0.002 0.000 1.308 395 Y HN 0.652 nan 8.280 nan 0.000 0.456 396 T N 4.540 118.988 114.554 -0.177 0.000 2.762 396 T HA 0.401 4.751 4.350 -0.000 0.000 0.303 396 T C -2.769 171.833 174.700 -0.164 0.000 0.977 396 T CA -1.248 60.720 62.100 -0.219 0.000 0.961 396 T CB 0.507 69.332 68.868 -0.073 0.000 0.944 396 T HN 0.351 nan 8.240 nan 0.000 0.481 397 P HA 0.204 nan 4.420 nan 0.000 0.264 397 P C 1.107 178.416 177.300 0.015 0.000 1.193 397 P CA 0.832 63.916 63.100 -0.025 0.000 0.763 397 P CB 0.387 32.048 31.700 -0.065 0.000 0.810 398 G N 2.426 111.263 108.800 0.062 0.000 2.205 398 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.261 398 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.261 398 G C 0.456 175.362 174.900 0.010 0.000 0.980 398 G CA -0.009 45.109 45.100 0.029 0.000 0.632 398 G HN 0.851 nan 8.290 nan 0.000 0.533 399 A N 0.709 123.535 122.820 0.010 0.000 2.473 399 A HA 0.672 4.992 4.320 -0.000 0.000 0.282 399 A C 1.561 179.133 177.584 -0.019 0.000 1.163 399 A CA 1.489 53.522 52.037 -0.007 0.000 0.827 399 A CB 0.396 19.393 19.000 -0.005 0.000 1.098 399 A HN 1.252 nan 8.150 nan 0.000 0.515 400 S N 2.141 117.827 115.700 -0.023 0.000 2.440 400 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 400 S C 2.054 176.623 174.600 -0.052 0.000 1.010 400 S CA 2.120 60.299 58.200 -0.035 0.000 0.972 400 S CB -0.564 62.618 63.200 -0.029 0.000 0.774 400 S HN 1.094 nan 8.310 nan 0.000 0.501 401 T N -0.120 114.406 114.554 -0.047 0.000 3.139 401 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 401 T C 0.569 175.218 174.700 -0.085 0.000 1.164 401 T CA 0.222 62.286 62.100 -0.060 0.000 1.075 401 T CB -0.631 68.210 68.868 -0.045 0.000 0.904 401 T HN 0.207 nan 8.240 nan 0.000 0.540 402 N N 1.898 120.546 118.700 -0.086 0.000 2.518 402 N HA 0.203 4.943 4.740 -0.000 0.000 0.266 402 N C 0.907 176.276 175.510 -0.235 0.000 1.196 402 N CA -0.387 52.586 53.050 -0.127 0.000 0.947 402 N CB 1.049 39.486 38.487 -0.084 0.000 1.098 402 N HN 0.121 nan 8.380 nan 0.000 0.450 403 K N 1.050 121.214 120.400 -0.393 0.000 2.400 403 K HA 0.068 4.388 4.320 -0.000 0.000 0.194 403 K C -0.094 175.960 176.600 -0.910 0.000 1.033 403 K CA 0.686 56.586 56.287 -0.646 0.000 1.021 403 K CB 0.056 32.036 32.500 -0.867 0.000 0.808 403 K HN 0.548 nan 8.250 nan 0.000 0.505 404 H N -0.102 118.658 119.070 -0.518 0.000 2.821 404 H HA 0.316 4.872 4.556 -0.000 0.000 0.373 404 H C -2.355 172.634 175.328 -0.566 0.000 1.165 404 H CA -2.311 53.256 56.048 -0.800 0.000 1.154 404 H CB 1.750 30.614 29.762 -1.497 0.000 1.765 404 H HN -0.164 nan 8.280 nan 0.000 0.549 405 P HA -0.003 nan 4.420 nan 0.000 0.271 405 P C 0.257 177.318 177.300 -0.397 0.000 1.244 405 P CA -0.199 62.662 63.100 -0.397 0.000 0.793 405 P CB 1.353 32.721 31.700 -0.552 0.000 0.984 406 D N -0.373 119.931 120.400 -0.159 0.000 2.178 406 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 406 D C 1.957 178.267 176.300 0.016 0.000 0.974 406 D CA 1.148 55.159 54.000 0.018 0.000 0.841 406 D CB -0.443 40.470 40.800 0.189 0.000 0.953 406 D HN 0.604 nan 8.370 nan 0.000 0.478 407 W N 0.128 121.509 121.300 0.134 0.000 2.388 407 W HA -0.095 4.565 4.660 -0.000 0.000 0.294 407 W C 1.933 178.530 176.519 0.129 0.000 1.212 407 W CA -0.037 57.378 57.345 0.117 0.000 1.271 407 W CB -1.348 28.173 29.460 0.101 0.000 1.126 407 W HN 0.011 nan 8.180 nan 0.000 0.535 408 W N 3.580 124.469 121.300 -0.686 0.000 2.380 408 W HA -0.178 4.482 4.660 -0.000 0.000 0.317 408 W C 1.891 178.175 176.519 -0.393 0.000 1.196 408 W CA 1.810 58.788 57.345 -0.611 0.000 1.307 408 W CB -0.990 27.837 29.460 -1.054 0.000 1.157 408 W HN -0.108 nan 8.180 nan 0.000 0.483 409 N N 0.908 119.543 118.700 -0.109 0.000 2.166 409 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 409 N C 1.482 176.713 175.510 -0.466 0.000 1.019 409 N CA 1.865 54.653 53.050 -0.437 0.000 0.856 409 N CB -0.739 37.072 38.487 -1.128 0.000 0.993 409 N HN 0.213 nan 8.380 nan 0.000 0.426 410 E N 1.467 121.510 120.200 -0.262 0.000 2.118 410 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 410 E C 1.571 178.204 176.600 0.054 0.000 0.992 410 E CA 1.377 57.805 56.400 0.046 0.000 0.804 410 E CB 0.058 29.867 29.700 0.182 0.000 0.741 410 E HN 0.291 nan 8.360 nan 0.000 0.458 411 K N -0.732 119.689 120.400 0.035 0.000 2.103 411 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 411 K C 2.088 178.699 176.600 0.017 0.000 1.052 411 K CA 1.053 57.361 56.287 0.036 0.000 0.945 411 K CB 0.011 32.519 32.500 0.014 0.000 0.722 411 K HN -0.004 nan 8.250 nan 0.000 0.443 412 V N 1.974 121.869 119.914 -0.033 0.000 2.237 412 V HA -0.303 3.817 4.120 -0.000 0.000 0.245 412 V C 2.356 178.495 176.094 0.074 0.000 1.046 412 V CA 1.902 64.203 62.300 0.001 0.000 1.007 412 V CB -0.431 31.391 31.823 -0.002 0.000 0.638 412 V HN 0.338 nan 8.190 nan 0.000 0.445 413 K N 0.362 120.789 120.400 0.045 0.000 2.020 413 K HA -0.277 4.043 4.320 -0.000 0.000 0.212 413 K C 2.014 178.665 176.600 0.084 0.000 1.050 413 K CA 2.322 58.656 56.287 0.079 0.000 0.929 413 K CB -0.313 32.271 32.500 0.139 0.000 0.714 413 K HN 0.440 nan 8.250 nan 0.000 0.443 414 N N 0.115 118.872 118.700 0.094 0.000 2.104 414 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 414 N C 1.768 177.331 175.510 0.088 0.000 1.024 414 N CA 1.652 54.752 53.050 0.084 0.000 0.853 414 N CB -0.709 37.835 38.487 0.095 0.000 1.008 414 N HN 0.443 nan 8.380 nan 0.000 0.424 415 H N 0.622 119.719 119.070 0.045 0.000 2.290 415 H HA 0.057 4.613 4.556 -0.000 0.000 0.298 415 H C 1.990 177.366 175.328 0.079 0.000 1.087 415 H CA 1.887 57.977 56.048 0.070 0.000 1.291 415 H CB -0.134 29.611 29.762 -0.030 0.000 1.369 415 H HN 0.132 nan 8.280 nan 0.000 0.492 416 M N -0.840 118.749 119.600 -0.018 0.000 2.319 416 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 416 M C 1.749 178.092 176.300 0.072 0.000 1.068 416 M CA 0.911 56.211 55.300 0.001 0.000 1.118 416 M CB 0.124 32.803 32.600 0.132 0.000 1.395 416 M HN 0.339 nan 8.290 nan 0.000 0.435 417 M N -0.559 119.065 119.600 0.039 0.000 2.334 417 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 417 M C 1.877 178.152 176.300 -0.042 0.000 1.082 417 M CA 1.293 56.627 55.300 0.056 0.000 1.141 417 M CB -0.725 31.892 32.600 0.028 0.000 1.380 417 M HN 0.240 nan 8.290 nan 0.000 0.440 418 Q N -0.472 119.219 119.800 -0.181 0.000 2.398 418 Q HA 0.017 4.357 4.340 -0.000 0.000 0.204 418 Q C -0.060 175.529 176.000 -0.686 0.000 0.932 418 Q CA 0.784 56.344 55.803 -0.404 0.000 0.916 418 Q CB 0.483 28.945 28.738 -0.460 0.000 1.024 418 Q HN 0.535 nan 8.270 nan 0.000 0.504 419 H N 0.267 119.268 119.070 -0.115 0.000 2.429 419 H HA 0.241 4.797 4.556 -0.000 0.000 0.231 419 H C 0.291 175.537 175.328 -0.137 0.000 1.416 419 H CA -0.096 55.888 56.048 -0.107 0.000 1.443 419 H CB 0.475 30.160 29.762 -0.129 0.000 1.591 419 H HN 0.194 nan 8.280 nan 0.000 0.507 420 Q N 0.591 120.376 119.800 -0.025 0.000 2.435 420 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 420 Q C 1.732 177.671 176.000 -0.101 0.000 0.956 420 Q CA 0.699 56.437 55.803 -0.110 0.000 0.917 420 Q CB 0.526 29.140 28.738 -0.208 0.000 0.997 420 Q HN 0.545 nan 8.270 nan 0.000 0.497 421 E N 1.371 121.563 120.200 -0.014 0.000 2.299 421 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 421 E C -0.147 176.481 176.600 0.046 0.000 0.998 421 E CA 0.486 56.892 56.400 0.010 0.000 0.851 421 E CB -0.075 29.653 29.700 0.047 0.000 0.795 421 E HN 0.151 nan 8.360 nan 0.000 0.492 422 D N 2.661 123.109 120.400 0.080 0.000 2.348 422 D HA 0.064 4.704 4.640 -0.000 0.000 0.253 422 D C -1.483 174.862 176.300 0.075 0.000 1.161 422 D CA -1.870 52.202 54.000 0.120 0.000 0.876 422 D CB 1.443 42.338 40.800 0.159 0.000 1.160 422 D HN -0.115 nan 8.370 nan 0.000 0.459 423 P HA 0.075 nan 4.420 nan 0.000 0.245 423 P C -0.276 177.059 177.300 0.058 0.000 1.212 423 P CA 0.277 63.410 63.100 0.054 0.000 0.774 423 P CB 0.289 32.016 31.700 0.045 0.000 0.999 424 L N 1.216 122.479 121.223 0.066 0.000 2.330 424 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 424 L C -1.640 175.262 176.870 0.052 0.000 1.013 424 L CA -2.239 52.621 54.840 0.032 0.000 0.816 424 L CB 2.541 44.589 42.059 -0.018 0.000 1.287 424 L HN -0.330 nan 8.230 nan 0.000 0.435 425 P HA 0.177 nan 4.420 nan 0.000 0.267 425 P C 0.163 177.361 177.300 -0.170 0.000 1.289 425 P CA 0.247 63.371 63.100 0.040 0.000 0.866 425 P CB 0.564 32.291 31.700 0.045 0.000 1.309 426 I N 2.798 123.179 120.570 -0.316 0.000 2.416 426 I HA 0.184 4.354 4.170 -0.000 0.000 0.288 426 I C -2.092 173.534 176.117 -0.818 0.000 1.051 426 I CA -2.417 58.618 61.300 -0.440 0.000 1.375 426 I CB 0.599 38.422 38.000 -0.295 0.000 1.407 426 I HN -0.187 nan 8.210 nan 0.000 0.516 427 P HA 0.080 nan 4.420 nan 0.000 0.272 427 P C 0.261 177.266 177.300 -0.491 0.000 1.223 427 P CA -0.117 62.502 63.100 -0.803 0.000 0.784 427 P CB 0.411 31.950 31.700 -0.269 0.000 0.923 428 F N 0.408 120.238 119.950 -0.199 0.000 2.171 428 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 428 F C 1.889 177.652 175.800 -0.062 0.000 1.090 428 F CA 1.531 59.467 58.000 -0.107 0.000 1.293 428 F CB -0.770 38.188 39.000 -0.071 0.000 1.013 428 F HN 0.316 nan 8.300 nan 0.000 0.486 429 E N 0.438 120.719 120.200 0.135 0.000 2.403 429 E HA -0.021 4.329 4.350 -0.000 0.000 0.188 429 E C -0.281 176.339 176.600 0.033 0.000 1.056 429 E CA 0.026 56.478 56.400 0.087 0.000 0.892 429 E CB -0.685 29.067 29.700 0.087 0.000 1.049 429 E HN 0.329 nan 8.360 nan 0.000 0.465 430 D N 2.290 122.684 120.400 -0.009 0.000 2.425 430 D HA 0.052 4.692 4.640 -0.000 0.000 0.247 430 D C -2.324 173.988 176.300 0.019 0.000 1.147 430 D CA -1.527 52.455 54.000 -0.031 0.000 0.879 430 D CB 0.895 41.635 40.800 -0.101 0.000 1.179 430 D HN -0.141 nan 8.370 nan 0.000 0.456 431 P HA 0.070 nan 4.420 nan 0.000 0.270 431 P C -0.533 176.872 177.300 0.175 0.000 1.223 431 P CA -0.333 62.852 63.100 0.141 0.000 0.785 431 P CB 0.386 32.169 31.700 0.138 0.000 0.923 432 E N 2.223 122.539 120.200 0.194 0.000 2.408 432 E HA 0.156 4.506 4.350 -0.000 0.000 0.259 432 E C -2.302 174.308 176.600 0.018 0.000 1.110 432 E CA -2.031 54.403 56.400 0.057 0.000 0.929 432 E CB -1.244 28.441 29.700 -0.025 0.000 0.971 432 E HN 0.306 nan 8.360 nan 0.000 0.438 433 P HA 0.082 nan 4.420 nan 0.000 0.275 433 P C -0.401 176.916 177.300 0.029 0.000 1.228 433 P CA -0.060 63.114 63.100 0.124 0.000 0.786 433 P CB 0.542 32.274 31.700 0.054 0.000 0.927 434 Q N 1.119 121.040 119.800 0.201 0.000 3.557 434 Q HA 0.287 4.627 4.340 -0.000 0.000 0.264 434 Q C -0.966 175.146 176.000 0.187 0.000 0.850 434 Q CA -0.326 55.477 55.803 0.001 0.000 0.833 434 Q CB 1.134 29.635 28.738 -0.395 0.000 1.505 434 Q HN 0.194 nan 8.270 nan 0.000 0.402 435 V N 0.742 120.722 119.914 0.111 0.000 2.547 435 V HA 0.700 4.820 4.120 -0.000 0.000 0.299 435 V C 0.211 176.324 176.094 0.032 0.000 1.040 435 V CA -0.294 62.062 62.300 0.093 0.000 0.913 435 V CB 1.978 33.787 31.823 -0.024 0.000 0.992 435 V HN 0.440 nan 8.190 nan 0.000 0.449 436 T N 2.038 116.636 114.554 0.073 0.000 2.903 436 T HA 0.518 4.868 4.350 -0.000 0.000 0.299 436 T C -0.845 173.804 174.700 -0.085 0.000 1.093 436 T CA -0.339 61.741 62.100 -0.033 0.000 1.002 436 T CB 1.894 70.730 68.868 -0.054 0.000 1.127 436 T HN 0.817 nan 8.240 nan 0.000 0.488 437 T N 4.261 118.622 114.554 -0.322 0.000 2.786 437 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 437 T C -0.164 174.403 174.700 -0.221 0.000 0.992 437 T CA -0.644 61.130 62.100 -0.544 0.000 0.954 437 T CB 0.043 68.142 68.868 -1.282 0.000 0.934 437 T HN 0.526 nan 8.240 nan 0.000 0.440 438 L N 4.321 125.492 121.223 -0.087 0.000 2.464 438 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 438 L C 0.733 177.615 176.870 0.020 0.000 1.199 438 L CA -0.972 53.901 54.840 0.056 0.000 0.818 438 L CB 0.216 42.300 42.059 0.042 0.000 1.102 438 L HN 0.660 nan 8.230 nan 0.000 0.473 439 F N 2.733 122.624 119.950 -0.098 0.000 2.537 439 F HA -0.119 4.408 4.527 -0.000 0.000 0.402 439 F C 0.183 175.738 175.800 -0.409 0.000 1.005 439 F CA 0.635 58.483 58.000 -0.253 0.000 1.203 439 F CB 0.090 38.985 39.000 -0.174 0.000 0.955 439 F HN 0.384 nan 8.300 nan 0.000 0.547 440 Q N 6.844 126.021 119.800 -1.038 0.000 2.456 440 Q HA 0.273 4.613 4.340 -0.000 0.000 0.284 440 Q C -1.887 173.537 176.000 -0.960 0.000 1.061 440 Q CA -1.879 53.420 55.803 -0.840 0.000 0.799 440 Q CB 1.425 29.600 28.738 -0.939 0.000 1.445 440 Q HN 0.242 nan 8.270 nan 0.000 0.411 441 P HA -0.240 nan 4.420 nan 0.000 0.218 441 P C 1.118 178.170 177.300 -0.413 0.000 1.154 441 P CA 2.385 65.271 63.100 -0.355 0.000 0.872 441 P CB 0.228 31.826 31.700 -0.171 0.000 0.790 442 S N -2.137 113.325 115.700 -0.397 0.000 2.558 442 S HA -0.058 4.412 4.470 -0.000 0.000 0.217 442 S C 0.459 174.856 174.600 -0.339 0.000 0.975 442 S CA -0.123 57.926 58.200 -0.251 0.000 0.912 442 S CB -1.169 61.993 63.200 -0.064 0.000 0.776 442 S HN 0.420 nan 8.310 nan 0.000 0.526 443 H N -0.676 117.948 119.070 -0.742 0.000 2.488 443 H HA 0.489 5.045 4.556 -0.000 0.000 0.237 443 H C -3.184 171.031 175.328 -1.854 0.000 1.395 443 H CA -2.010 53.206 56.048 -1.386 0.000 1.491 443 H CB 0.602 29.818 29.762 -0.911 0.000 1.567 443 H HN 0.067 nan 8.280 nan 0.000 0.508 444 P HA 0.061 nan 4.420 nan 0.000 0.226 444 P C -1.273 175.607 177.300 -0.700 0.000 1.783 444 P CA 0.197 62.364 63.100 -1.555 0.000 0.980 444 P CB -1.048 30.210 31.700 -0.736 0.000 1.967 445 W N -0.295 120.841 121.300 -0.273 0.000 3.248 445 W HA 0.493 5.153 4.660 -0.000 0.000 0.311 445 W C -1.222 175.427 176.519 0.218 0.000 1.258 445 W CA -1.289 56.157 57.345 0.168 0.000 1.191 445 W CB -0.015 29.548 29.460 0.172 0.000 1.389 445 W HN -0.013 nan 8.180 nan 0.000 0.561 446 H N 1.295 120.633 119.070 0.448 0.000 2.511 446 H HA 0.700 5.256 4.556 -0.000 0.000 0.346 446 H C -0.162 175.330 175.328 0.273 0.000 1.128 446 H CA 0.608 56.818 56.048 0.271 0.000 1.342 446 H CB 1.454 31.311 29.762 0.158 0.000 1.470 446 H HN 0.579 nan 8.280 nan 0.000 0.546 447 T N 2.259 116.491 114.554 -0.537 0.000 2.886 447 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 447 T C -0.762 173.626 174.700 -0.520 0.000 1.012 447 T CA -1.135 60.604 62.100 -0.602 0.000 0.982 447 T CB 1.567 69.939 68.868 -0.827 0.000 1.018 447 T HN 0.667 nan 8.240 nan 0.000 0.451 448 Q N 2.005 121.671 119.800 -0.224 0.000 2.340 448 Q HA 0.626 4.966 4.340 -0.000 0.000 0.268 448 Q C -1.034 174.846 176.000 -0.200 0.000 1.031 448 Q CA -0.791 54.822 55.803 -0.316 0.000 0.804 448 Q CB 2.719 31.135 28.738 -0.537 0.000 1.286 448 Q HN 0.709 nan 8.270 nan 0.000 0.448 449 I N 3.526 123.952 120.570 -0.240 0.000 2.563 449 I HA 0.331 4.501 4.170 -0.000 0.000 0.276 449 I C -0.502 175.537 176.117 -0.130 0.000 1.074 449 I CA -0.260 60.809 61.300 -0.385 0.000 1.124 449 I CB 0.390 38.032 38.000 -0.598 0.000 1.225 449 I HN 0.769 nan 8.210 nan 0.000 0.482 450 H N 3.466 122.394 119.070 -0.237 0.000 3.054 450 H HA 0.680 5.236 4.556 -0.000 0.000 0.271 450 H C -1.150 174.137 175.328 -0.069 0.000 1.551 450 H CA -1.362 54.613 56.048 -0.122 0.000 1.196 450 H CB 1.484 31.204 29.762 -0.071 0.000 1.867 450 H HN 0.082 nan 8.280 nan 0.000 0.637 451 R N 1.247 121.609 120.500 -0.230 0.000 2.538 451 R HA 0.419 4.759 4.340 -0.000 0.000 0.292 451 R C -1.625 174.473 176.300 -0.337 0.000 1.008 451 R CA -0.562 55.365 56.100 -0.289 0.000 0.896 451 R CB 1.731 31.960 30.300 -0.117 0.000 1.187 451 R HN 0.833 nan 8.270 nan 0.000 0.440 452 D N 0.386 120.581 120.400 -0.342 0.000 2.665 452 D HA 0.462 5.102 4.640 -0.000 0.000 0.287 452 D C -1.320 174.819 176.300 -0.268 0.000 1.266 452 D CA -0.421 53.390 54.000 -0.315 0.000 0.830 452 D CB 2.485 43.075 40.800 -0.350 0.000 1.356 452 D HN 0.474 nan 8.370 nan 0.000 0.437 453 A N 1.062 123.633 122.820 -0.415 0.000 2.289 453 A HA 0.667 4.987 4.320 -0.000 0.000 0.298 453 A C -1.071 176.121 177.584 -0.652 0.000 1.208 453 A CA -0.029 51.815 52.037 -0.322 0.000 0.845 453 A CB -0.097 18.843 19.000 -0.100 0.000 1.125 453 A HN 0.327 nan 8.150 nan 0.000 0.517 454 F N 0.261 120.027 119.950 -0.307 0.000 2.706 454 F HA 0.381 4.908 4.527 -0.000 0.000 0.328 454 F C 1.692 177.254 175.800 -0.396 0.000 1.123 454 F CA 0.158 57.918 58.000 -0.400 0.000 0.978 454 F CB 1.764 40.301 39.000 -0.771 0.000 1.404 454 F HN 0.574 nan 8.300 nan 0.000 0.497 455 S N -0.574 115.090 115.700 -0.060 0.000 2.474 455 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 455 S C -0.024 174.586 174.600 0.016 0.000 0.997 455 S CA 0.898 59.084 58.200 -0.024 0.000 0.949 455 S CB -0.962 62.280 63.200 0.069 0.000 0.766 455 S HN 0.540 nan 8.310 nan 0.000 0.517 456 Y N -2.635 117.634 120.300 -0.051 0.000 2.686 456 Y HA 0.779 5.329 4.550 -0.000 0.000 0.330 456 Y C 1.156 176.999 175.900 -0.096 0.000 1.082 456 Y CA -1.108 56.935 58.100 -0.095 0.000 1.158 456 Y CB 0.488 38.841 38.460 -0.178 0.000 1.333 456 Y HN 0.139 nan 8.280 nan 0.000 0.519 457 G N -0.757 108.050 108.800 0.013 0.000 2.157 457 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.248 457 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.248 457 G C 0.208 175.162 174.900 0.090 0.000 0.979 457 G CA -0.234 44.897 45.100 0.052 0.000 0.650 457 G HN 1.422 nan 8.290 nan 0.000 0.529 458 A N 0.038 122.886 122.820 0.046 0.000 2.545 458 A HA 0.558 4.878 4.320 -0.000 0.000 0.253 458 A C 1.003 178.632 177.584 0.075 0.000 1.074 458 A CA 0.870 52.933 52.037 0.043 0.000 0.760 458 A CB 0.452 19.470 19.000 0.029 0.000 1.005 458 A HN 1.178 nan 8.150 nan 0.000 0.506 459 V N 3.249 123.203 119.914 0.067 0.000 3.295 459 V HA 0.371 4.491 4.120 -0.000 0.000 0.308 459 V C 0.638 176.765 176.094 0.054 0.000 1.068 459 V CA -0.324 62.018 62.300 0.070 0.000 1.062 459 V CB 1.324 33.186 31.823 0.065 0.000 1.162 459 V HN 1.060 nan 8.190 nan 0.000 0.456 460 Q N -0.389 119.441 119.800 0.050 0.000 2.943 460 Q HA 0.402 4.742 4.340 -0.000 0.000 0.328 460 Q C -0.555 175.467 176.000 0.037 0.000 0.934 460 Q CA -0.861 54.967 55.803 0.041 0.000 0.782 460 Q CB 1.419 30.182 28.738 0.040 0.000 1.470 460 Q HN 0.464 nan 8.270 nan 0.000 0.503 461 Q N -0.106 119.713 119.800 0.032 0.000 2.319 461 Q HA 0.172 4.512 4.340 -0.000 0.000 0.202 461 Q C 1.226 177.243 176.000 0.028 0.000 0.896 461 Q CA 0.307 56.127 55.803 0.029 0.000 0.942 461 Q CB 0.711 29.464 28.738 0.024 0.000 1.083 461 Q HN 0.444 nan 8.270 nan 0.000 0.510 462 S N -0.160 115.557 115.700 0.029 0.000 2.406 462 S HA 0.092 4.562 4.470 -0.000 0.000 0.224 462 S C 0.835 175.453 174.600 0.030 0.000 1.030 462 S CA 0.277 58.493 58.200 0.027 0.000 0.958 462 S CB 0.386 63.601 63.200 0.025 0.000 0.811 462 S HN 0.137 nan 8.310 nan 0.000 0.489 463 I N 2.460 123.050 120.570 0.033 0.000 2.377 463 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 463 I C 0.068 176.210 176.117 0.040 0.000 0.987 463 I CA -0.984 60.337 61.300 0.035 0.000 1.185 463 I CB 1.193 39.214 38.000 0.035 0.000 1.341 463 I HN 0.141 nan 8.210 nan 0.000 0.455 464 D N 3.783 124.209 120.400 0.043 0.000 2.533 464 D HA -0.068 4.572 4.640 -0.000 0.000 0.236 464 D C 1.216 177.544 176.300 0.047 0.000 1.137 464 D CA 0.288 54.320 54.000 0.052 0.000 0.867 464 D CB 1.191 42.026 40.800 0.059 0.000 1.170 464 D HN 0.659 nan 8.370 nan 0.000 0.474 465 S N 4.109 119.839 115.700 0.051 0.000 2.447 465 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 465 S C 1.633 176.255 174.600 0.037 0.000 1.006 465 S CA 0.425 58.652 58.200 0.045 0.000 0.957 465 S CB -0.007 63.221 63.200 0.045 0.000 0.773 465 S HN 0.537 nan 8.310 nan 0.000 0.507 466 R N 0.701 121.221 120.500 0.034 0.000 2.241 466 R HA 0.175 4.515 4.340 -0.000 0.000 0.224 466 R C 1.666 177.967 176.300 0.003 0.000 1.101 466 R CA 1.035 57.138 56.100 0.003 0.000 0.995 466 R CB -0.507 29.773 30.300 -0.032 0.000 0.870 466 R HN 0.455 nan 8.270 nan 0.000 0.463 467 L N 0.265 121.500 121.223 0.020 0.000 2.529 467 L HA 0.111 4.451 4.340 -0.000 0.000 0.223 467 L C 0.308 177.205 176.870 0.046 0.000 1.113 467 L CA -0.038 54.819 54.840 0.027 0.000 0.861 467 L CB 0.149 42.226 42.059 0.031 0.000 1.012 467 L HN 0.035 nan 8.230 nan 0.000 0.461 468 I N 0.671 121.268 120.570 0.047 0.000 2.396 468 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 468 I C -0.066 176.089 176.117 0.063 0.000 0.999 468 I CA -0.324 61.015 61.300 0.065 0.000 1.310 468 I CB 1.548 39.584 38.000 0.058 0.000 1.404 468 I HN -0.321 nan 8.210 nan 0.000 0.496 469 V N 5.254 125.230 119.914 0.104 0.000 2.709 469 V HA 0.382 4.502 4.120 -0.000 0.000 0.308 469 V C -0.646 175.490 176.094 0.071 0.000 1.062 469 V CA -0.918 61.410 62.300 0.047 0.000 0.901 469 V CB 2.455 34.291 31.823 0.021 0.000 1.003 469 V HN 0.586 nan 8.190 nan 0.000 0.425 470 D N 2.526 122.919 120.400 -0.012 0.000 2.210 470 D HA 0.449 5.089 4.640 -0.000 0.000 0.249 470 D C -1.026 175.265 176.300 -0.016 0.000 1.062 470 D CA 0.016 54.085 54.000 0.115 0.000 0.891 470 D CB 1.468 42.380 40.800 0.187 0.000 1.186 470 D HN 0.447 nan 8.370 nan 0.000 0.432 471 W N 1.367 122.771 121.300 0.173 0.000 2.475 471 W HA 0.422 5.082 4.660 -0.000 0.000 0.320 471 W C 0.242 176.915 176.519 0.255 0.000 1.022 471 W CA -0.835 56.641 57.345 0.217 0.000 1.240 471 W CB 1.190 30.681 29.460 0.051 0.000 1.328 471 W HN -0.079 nan 8.180 nan 0.000 0.439 472 R N 3.053 123.820 120.500 0.446 0.000 2.451 472 R HA 0.531 4.871 4.340 -0.000 0.000 0.307 472 R C -1.498 174.915 176.300 0.188 0.000 0.965 472 R CA -0.869 55.327 56.100 0.159 0.000 0.865 472 R CB 1.543 31.839 30.300 -0.007 0.000 1.174 472 R HN 0.182 nan 8.270 nan 0.000 0.455 473 F N 2.896 122.665 119.950 -0.301 0.000 2.495 473 F HA 0.509 5.036 4.527 -0.000 0.000 0.327 473 F C -0.374 175.264 175.800 -0.271 0.000 1.103 473 F CA -1.303 56.607 58.000 -0.149 0.000 0.949 473 F CB 1.180 40.081 39.000 -0.166 0.000 1.142 473 F HN 0.300 nan 8.300 nan 0.000 0.457 474 F N 1.275 121.405 119.950 0.301 0.000 2.499 474 F HA 0.627 5.154 4.527 -0.000 0.000 0.333 474 F C 0.591 176.592 175.800 0.334 0.000 1.138 474 F CA -1.140 57.031 58.000 0.285 0.000 0.945 474 F CB 1.490 40.703 39.000 0.356 0.000 1.181 474 F HN 0.542 nan 8.300 nan 0.000 0.435 475 G N 2.187 111.228 108.800 0.401 0.000 2.476 475 G HA2 0.598 4.558 3.960 -0.000 0.000 0.286 475 G HA3 0.598 4.558 3.960 -0.000 0.000 0.286 475 G C -0.718 174.364 174.900 0.303 0.000 1.177 475 G CA -0.976 44.342 45.100 0.363 0.000 0.870 475 G HN 0.713 nan 8.290 nan 0.000 0.528 476 R N -0.678 119.995 120.500 0.288 0.000 2.486 476 R HA 0.665 5.005 4.340 -0.000 0.000 0.286 476 R C -0.997 175.396 176.300 0.156 0.000 0.999 476 R CA -0.614 55.576 56.100 0.151 0.000 0.993 476 R CB 1.325 31.719 30.300 0.156 0.000 1.084 476 R HN 0.272 nan 8.270 nan 0.000 0.487 477 T N 2.269 116.886 114.554 0.105 0.000 2.792 477 T HA 0.172 4.522 4.350 -0.000 0.000 0.280 477 T C -0.733 174.051 174.700 0.139 0.000 0.990 477 T CA -0.738 61.476 62.100 0.190 0.000 0.960 477 T CB 1.302 70.345 68.868 0.293 0.000 0.939 477 T HN 0.572 nan 8.240 nan 0.000 0.439 478 E N 4.245 124.529 120.200 0.140 0.000 2.414 478 E HA 0.146 4.496 4.350 -0.000 0.000 0.263 478 E C -2.163 174.519 176.600 0.138 0.000 1.000 478 E CA -1.425 55.048 56.400 0.122 0.000 0.914 478 E CB 0.288 30.051 29.700 0.105 0.000 0.948 478 E HN 0.301 nan 8.360 nan 0.000 0.444 479 P HA 0.129 nan 4.420 nan 0.000 0.281 479 P C -0.953 176.497 177.300 0.251 0.000 1.252 479 P CA -0.139 63.098 63.100 0.227 0.000 0.778 479 P CB 0.767 32.622 31.700 0.259 0.000 0.895 480 K N 2.168 122.669 120.400 0.168 0.000 2.468 480 K HA 0.177 4.497 4.320 -0.000 0.000 0.252 480 K C 0.845 177.290 176.600 -0.257 0.000 0.932 480 K CA -0.677 55.624 56.287 0.024 0.000 0.794 480 K CB 2.369 34.846 32.500 -0.038 0.000 1.241 480 K HN 0.474 nan 8.250 nan 0.000 0.428 481 E N 2.056 121.948 120.200 -0.512 0.000 2.153 481 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 481 E C 0.932 177.290 176.600 -0.403 0.000 0.988 481 E CA 1.395 57.254 56.400 -0.901 0.000 0.811 481 E CB 0.505 29.844 29.700 -0.602 0.000 0.746 481 E HN 0.551 nan 8.360 nan 0.000 0.466 482 E N 0.346 120.411 120.200 -0.224 0.000 2.358 482 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 482 E C 0.038 176.588 176.600 -0.083 0.000 1.010 482 E CA 0.186 56.509 56.400 -0.129 0.000 0.856 482 E CB -0.295 29.345 29.700 -0.101 0.000 0.795 482 E HN 0.049 nan 8.360 nan 0.000 0.504 483 N N 2.234 120.878 118.700 -0.093 0.000 2.405 483 N HA 0.134 4.874 4.740 -0.000 0.000 0.260 483 N C -0.688 174.893 175.510 0.119 0.000 1.152 483 N CA 0.298 53.353 53.050 0.009 0.000 0.948 483 N CB 0.844 39.323 38.487 -0.014 0.000 1.111 483 N HN 0.141 nan 8.380 nan 0.000 0.485 484 K N 1.216 121.735 120.400 0.198 0.000 2.435 484 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 484 K C -1.131 175.618 176.600 0.249 0.000 0.954 484 K CA -0.974 55.446 56.287 0.221 0.000 0.820 484 K CB 2.406 35.052 32.500 0.243 0.000 1.292 484 K HN 0.158 nan 8.250 nan 0.000 0.436 485 L N 3.580 124.899 121.223 0.161 0.000 2.319 485 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 485 L C -1.314 175.490 176.870 -0.109 0.000 1.005 485 L CA -0.113 54.659 54.840 -0.113 0.000 0.828 485 L CB 0.608 42.623 42.059 -0.073 0.000 1.227 485 L HN 0.706 nan 8.230 nan 0.000 0.415 486 W N 3.499 124.503 121.300 -0.493 0.000 3.017 486 W HA 0.651 5.311 4.660 -0.000 0.000 0.341 486 W C -2.092 173.921 176.519 -0.844 0.000 1.180 486 W CA -1.212 55.899 57.345 -0.390 0.000 1.097 486 W CB 0.861 30.251 29.460 -0.117 0.000 1.468 486 W HN 0.334 nan 8.180 nan 0.000 0.584 487 F N 1.506 121.647 119.950 0.318 0.000 2.507 487 F HA 0.350 4.877 4.527 -0.000 0.000 0.325 487 F C 0.865 176.841 175.800 0.293 0.000 1.116 487 F CA -0.968 57.111 58.000 0.131 0.000 0.930 487 F CB 2.053 41.101 39.000 0.080 0.000 1.146 487 F HN 0.271 nan 8.300 nan 0.000 0.447 488 S N 0.944 116.794 115.700 0.250 0.000 2.568 488 S HA 0.022 4.492 4.470 -0.000 0.000 0.282 488 S C 0.776 175.524 174.600 0.246 0.000 1.338 488 S CA -0.435 57.945 58.200 0.300 0.000 1.045 488 S CB 0.374 63.664 63.200 0.150 0.000 0.873 488 S HN 0.699 nan 8.310 nan 0.000 0.516 489 D N 2.442 122.969 120.400 0.212 0.000 2.340 489 D HA 0.105 4.745 4.640 -0.000 0.000 0.220 489 D C 0.931 177.291 176.300 0.100 0.000 1.039 489 D CA 0.408 54.489 54.000 0.135 0.000 0.866 489 D CB 0.124 40.984 40.800 0.099 0.000 0.913 489 D HN 0.567 nan 8.370 nan 0.000 0.523 490 K N -0.362 120.102 120.400 0.106 0.000 2.567 490 K HA 0.115 4.435 4.320 -0.000 0.000 0.199 490 K C -0.097 176.546 176.600 0.072 0.000 1.412 490 K CA -0.275 56.059 56.287 0.078 0.000 1.020 490 K CB 0.841 33.387 32.500 0.076 0.000 1.487 490 K HN -0.083 nan 8.250 nan 0.000 0.531 491 I N 3.799 124.416 120.570 0.079 0.000 2.474 491 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 491 I C 0.500 176.656 176.117 0.065 0.000 1.048 491 I CA 0.138 61.474 61.300 0.060 0.000 1.383 491 I CB 0.912 38.938 38.000 0.042 0.000 1.412 491 I HN 0.279 nan 8.210 nan 0.000 0.531 492 T N 1.572 116.161 114.554 0.058 0.000 2.930 492 T HA 0.597 4.947 4.350 -0.000 0.000 0.290 492 T C -0.345 174.395 174.700 0.067 0.000 1.052 492 T CA -0.940 61.202 62.100 0.070 0.000 1.017 492 T CB 2.339 71.245 68.868 0.064 0.000 1.137 492 T HN 0.535 nan 8.240 nan 0.000 0.511 493 D N 0.513 120.970 120.400 0.095 0.000 2.478 493 D HA 0.459 5.099 4.640 -0.000 0.000 0.274 493 D C 1.615 177.965 176.300 0.083 0.000 1.234 493 D CA -0.441 53.622 54.000 0.105 0.000 1.069 493 D CB 0.053 40.954 40.800 0.169 0.000 1.113 493 D HN 0.651 nan 8.370 nan 0.000 0.571 494 A N -1.230 121.629 122.820 0.065 0.000 2.125 494 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 494 A C 1.205 178.669 177.584 -0.200 0.000 1.156 494 A CA 0.961 52.947 52.037 -0.084 0.000 0.671 494 A CB -0.997 17.906 19.000 -0.161 0.000 0.794 494 A HN 0.562 nan 8.150 nan 0.000 0.459 495 Y N -1.317 119.014 120.300 0.051 0.000 2.571 495 Y HA 0.241 4.791 4.550 -0.000 0.000 0.275 495 Y C 0.690 176.625 175.900 0.059 0.000 1.179 495 Y CA -0.198 57.936 58.100 0.058 0.000 1.242 495 Y CB -0.335 38.149 38.460 0.040 0.000 1.126 495 Y HN 0.431 nan 8.280 nan 0.000 0.524 496 N N -0.034 118.746 118.700 0.134 0.000 2.747 496 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 496 N C -0.764 174.803 175.510 0.096 0.000 1.107 496 N CA 0.583 53.687 53.050 0.090 0.000 0.707 496 N CB -0.544 37.978 38.487 0.059 0.000 1.054 496 N HN 0.147 nan 8.380 nan 0.000 0.555 497 M N -0.412 119.264 119.600 0.126 0.000 2.644 497 M HA 0.452 4.932 4.480 -0.000 0.000 0.316 497 M C -2.143 174.229 176.300 0.120 0.000 1.200 497 M CA -2.011 53.353 55.300 0.106 0.000 0.944 497 M CB 0.740 33.406 32.600 0.111 0.000 1.691 497 M HN -0.271 nan 8.290 nan 0.000 0.471 498 P HA -0.023 nan 4.420 nan 0.000 0.261 498 P C -0.599 176.855 177.300 0.256 0.000 1.183 498 P CA 0.168 63.371 63.100 0.172 0.000 0.761 498 P CB 0.203 32.010 31.700 0.178 0.000 0.785 499 Q N 7.059 126.955 119.800 0.160 0.000 2.297 499 Q HA 0.182 4.522 4.340 -0.000 0.000 0.267 499 Q C -2.302 173.663 176.000 -0.059 0.000 1.006 499 Q CA -1.970 53.871 55.803 0.063 0.000 0.896 499 Q CB -0.156 28.574 28.738 -0.013 0.000 1.186 499 Q HN 0.292 nan 8.270 nan 0.000 0.392 500 P HA 0.170 nan 4.420 nan 0.000 0.275 500 P C -1.069 175.735 177.300 -0.827 0.000 1.228 500 P CA -0.231 62.451 63.100 -0.698 0.000 0.786 500 P CB 1.117 32.491 31.700 -0.542 0.000 0.927 501 T N 2.476 116.304 114.554 -1.211 0.000 2.971 501 T HA 0.509 4.859 4.350 -0.000 0.000 0.304 501 T C -0.719 173.280 174.700 -1.168 0.000 1.038 501 T CA -0.098 61.295 62.100 -1.179 0.000 1.007 501 T CB 0.507 68.341 68.868 -1.723 0.000 1.055 501 T HN 0.058 nan 8.240 nan 0.000 0.451 502 F N 1.846 121.501 119.950 -0.491 0.000 2.425 502 F HA 0.602 5.129 4.527 -0.000 0.000 0.331 502 F C 0.475 176.209 175.800 -0.111 0.000 1.085 502 F CA -0.941 56.899 58.000 -0.267 0.000 1.028 502 F CB 1.299 40.196 39.000 -0.172 0.000 1.177 502 F HN 0.404 nan 8.300 nan 0.000 0.487 503 D N 2.820 123.376 120.400 0.260 0.000 2.358 503 D HA 0.258 4.897 4.640 -0.000 0.000 0.253 503 D C -1.855 174.575 176.300 0.215 0.000 1.288 503 D CA -0.121 54.017 54.000 0.231 0.000 0.950 503 D CB 0.431 41.402 40.800 0.286 0.000 1.197 503 D HN 0.294 nan 8.370 nan 0.000 0.550 504 F N 3.322 123.260 119.950 -0.021 0.000 2.581 504 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 504 F C -1.277 174.413 175.800 -0.183 0.000 1.113 504 F CA -0.600 57.325 58.000 -0.126 0.000 0.935 504 F CB 1.403 40.269 39.000 -0.224 0.000 1.232 504 F HN 0.042 nan 8.300 nan 0.000 0.445 505 R N 4.373 124.323 120.500 -0.918 0.000 2.673 505 R HA 0.354 4.694 4.340 -0.000 0.000 0.281 505 R C -1.609 174.033 176.300 -1.096 0.000 0.991 505 R CA -0.996 54.669 56.100 -0.725 0.000 0.896 505 R CB 1.616 31.726 30.300 -0.316 0.000 1.201 505 R HN 0.588 nan 8.270 nan 0.000 0.457 506 F N 3.165 122.856 119.950 -0.430 0.000 2.590 506 F HA 0.140 4.667 4.527 -0.000 0.000 0.389 506 F C -1.283 174.388 175.800 -0.215 0.000 1.049 506 F CA -0.884 56.971 58.000 -0.241 0.000 1.199 506 F CB -0.213 38.760 39.000 -0.045 0.000 1.058 506 F HN 0.139 nan 8.300 nan 0.000 0.556 507 P HA 0.136 nan 4.420 nan 0.000 0.269 507 P C -0.534 176.775 177.300 0.016 0.000 1.209 507 P CA -0.117 62.960 63.100 -0.038 0.000 0.776 507 P CB 0.631 32.325 31.700 -0.009 0.000 0.876 508 A N 2.442 125.259 122.820 -0.005 0.000 2.280 508 A HA 0.648 4.968 4.320 -0.000 0.000 0.268 508 A C 1.021 178.617 177.584 0.019 0.000 1.111 508 A CA 0.576 52.616 52.037 0.005 0.000 0.814 508 A CB -0.809 18.187 19.000 -0.007 0.000 1.093 508 A HN 0.803 nan 8.150 nan 0.000 0.498 509 G N -0.321 108.492 108.800 0.022 0.000 2.488 509 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 509 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 509 G C 1.013 175.942 174.900 0.047 0.000 1.209 509 G CA 0.772 45.891 45.100 0.032 0.000 0.929 509 G HN 0.998 nan 8.290 nan 0.000 0.578 510 R N -0.325 120.210 120.500 0.060 0.000 2.083 510 R HA -0.077 4.263 4.340 -0.000 0.000 0.237 510 R C 2.861 179.219 176.300 0.095 0.000 1.137 510 R CA 2.711 58.857 56.100 0.078 0.000 0.951 510 R CB -0.932 29.419 30.300 0.083 0.000 0.851 510 R HN 0.632 nan 8.270 nan 0.000 0.434 511 T N 0.092 114.707 114.554 0.101 0.000 2.720 511 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 511 T C 1.925 176.676 174.700 0.084 0.000 1.037 511 T CA 1.836 64.011 62.100 0.125 0.000 1.144 511 T CB -0.169 68.793 68.868 0.157 0.000 0.864 511 T HN 0.265 nan 8.240 nan 0.000 0.444 512 S N 0.298 116.030 115.700 0.054 0.000 2.371 512 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 512 S C 2.021 176.624 174.600 0.005 0.000 1.029 512 S CA 0.751 58.952 58.200 0.000 0.000 0.978 512 S CB -0.130 63.067 63.200 -0.006 0.000 0.833 512 S HN 0.451 nan 8.310 nan 0.000 0.466 513 K N 1.290 121.713 120.400 0.038 0.000 2.026 513 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 513 K C 1.956 178.609 176.600 0.088 0.000 1.048 513 K CA 1.421 57.740 56.287 0.053 0.000 0.929 513 K CB -0.136 32.402 32.500 0.062 0.000 0.713 513 K HN 0.347 nan 8.250 nan 0.000 0.439 514 E N -0.089 120.189 120.200 0.130 0.000 2.085 514 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 514 E C 1.941 178.629 176.600 0.146 0.000 0.994 514 E CA 1.188 57.724 56.400 0.227 0.000 0.801 514 E CB -0.137 29.735 29.700 0.285 0.000 0.743 514 E HN 0.429 nan 8.360 nan 0.000 0.453 515 A N 1.207 124.076 122.820 0.082 0.000 1.902 515 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 515 A C 2.075 179.709 177.584 0.083 0.000 1.181 515 A CA 1.773 53.844 52.037 0.057 0.000 0.623 515 A CB -0.377 18.610 19.000 -0.022 0.000 0.818 515 A HN 0.139 nan 8.150 nan 0.000 0.443 516 E N 0.662 120.893 120.200 0.052 0.000 2.072 516 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 516 E C 1.326 177.897 176.600 -0.048 0.000 0.985 516 E CA 1.530 57.960 56.400 0.050 0.000 0.801 516 E CB -0.311 29.397 29.700 0.014 0.000 0.750 516 E HN 0.538 nan 8.360 nan 0.000 0.452 517 D N -0.032 120.341 120.400 -0.044 0.000 2.182 517 D HA -0.193 4.447 4.640 -0.000 0.000 0.201 517 D C 1.925 177.956 176.300 -0.449 0.000 0.986 517 D CA 1.132 55.087 54.000 -0.076 0.000 0.847 517 D CB -0.341 40.553 40.800 0.157 0.000 0.942 517 D HN 0.328 nan 8.370 nan 0.000 0.467 518 M N -0.241 118.883 119.600 -0.794 0.000 2.132 518 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 518 M C 2.069 177.905 176.300 -0.773 0.000 1.065 518 M CA 1.136 55.639 55.300 -1.328 0.000 1.122 518 M CB 0.023 32.038 32.600 -0.976 0.000 1.365 518 M HN -0.046 nan 8.290 nan 0.000 0.411 519 M N 0.298 119.587 119.600 -0.517 0.000 2.080 519 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 519 M C 1.774 177.833 176.300 -0.401 0.000 1.068 519 M CA 2.352 57.349 55.300 -0.505 0.000 1.109 519 M CB -0.902 31.465 32.600 -0.388 0.000 1.342 519 M HN 0.245 nan 8.290 nan 0.000 0.405 520 T N -0.009 114.382 114.554 -0.272 0.000 2.746 520 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 520 T C 1.494 176.089 174.700 -0.175 0.000 1.039 520 T CA 1.777 63.770 62.100 -0.177 0.000 1.142 520 T CB -0.625 68.188 68.868 -0.093 0.000 0.866 520 T HN 0.521 nan 8.240 nan 0.000 0.444 521 D N 0.610 120.895 120.400 -0.192 0.000 2.123 521 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 521 D C 2.052 178.255 176.300 -0.163 0.000 0.992 521 D CA 0.968 54.948 54.000 -0.033 0.000 0.833 521 D CB -0.238 40.660 40.800 0.163 0.000 0.954 521 D HN 0.300 nan 8.370 nan 0.000 0.455 522 M N -0.575 118.667 119.600 -0.597 0.000 2.117 522 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 522 M C 2.007 177.995 176.300 -0.519 0.000 1.065 522 M CA 1.357 56.092 55.300 -0.941 0.000 1.114 522 M CB -0.155 31.699 32.600 -1.243 0.000 1.361 522 M HN 0.193 nan 8.290 nan 0.000 0.408 523 C N -0.357 118.739 119.300 -0.341 0.000 2.429 523 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 523 C C 2.665 177.548 174.990 -0.179 0.000 1.262 523 C CA 0.887 59.818 59.018 -0.145 0.000 1.733 523 C CB -0.982 26.722 27.740 -0.060 0.000 2.010 523 C HN 0.502 nan 8.230 nan 0.000 0.483 524 V N 0.532 120.365 119.914 -0.134 0.000 2.307 524 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 524 V C 2.402 178.460 176.094 -0.061 0.000 1.045 524 V CA 2.208 64.462 62.300 -0.076 0.000 1.024 524 V CB -0.681 31.146 31.823 0.007 0.000 0.651 524 V HN 0.580 nan 8.190 nan 0.000 0.449 525 M N 0.802 120.398 119.600 -0.007 0.000 2.132 525 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 525 M C 2.494 178.665 176.300 -0.215 0.000 1.065 525 M CA 2.327 57.699 55.300 0.119 0.000 1.122 525 M CB -0.199 32.633 32.600 0.387 0.000 1.365 525 M HN 0.567 nan 8.290 nan 0.000 0.411 526 S N 0.537 115.796 115.700 -0.736 0.000 2.382 526 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 526 S C 1.964 176.185 174.600 -0.633 0.000 1.027 526 S CA 1.027 58.404 58.200 -1.372 0.000 0.991 526 S CB -0.862 61.371 63.200 -1.612 0.000 0.823 526 S HN 0.571 nan 8.310 nan 0.000 0.469 527 A N 1.837 124.381 122.820 -0.460 0.000 2.125 527 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 527 A C 2.127 179.594 177.584 -0.195 0.000 1.156 527 A CA 1.157 52.983 52.037 -0.351 0.000 0.671 527 A CB -0.496 18.306 19.000 -0.329 0.000 0.794 527 A HN 0.646 nan 8.150 nan 0.000 0.459 528 K N -0.719 119.611 120.400 -0.118 0.000 2.366 528 K HA 0.081 4.401 4.320 -0.000 0.000 0.198 528 K C 0.995 177.600 176.600 0.009 0.000 1.044 528 K CA 0.514 56.778 56.287 -0.038 0.000 0.973 528 K CB 0.060 32.573 32.500 0.022 0.000 0.767 528 K HN 0.382 nan 8.250 nan 0.000 0.475 529 I N -0.502 120.092 120.570 0.039 0.000 3.172 529 I HA 0.147 4.317 4.170 -0.000 0.000 0.278 529 I C 1.081 177.231 176.117 0.055 0.000 1.174 529 I CA 0.568 61.941 61.300 0.122 0.000 1.445 529 I CB 0.137 38.357 38.000 0.367 0.000 1.175 529 I HN 0.090 nan 8.210 nan 0.000 0.447 530 G N -0.692 108.090 108.800 -0.031 0.000 2.328 530 G HA2 0.458 4.418 3.960 -0.000 0.000 0.295 530 G HA3 0.458 4.418 3.960 -0.000 0.000 0.295 530 G C -0.726 174.049 174.900 -0.208 0.000 1.413 530 G CA -0.163 44.893 45.100 -0.073 0.000 0.817 530 G HN 0.282 nan 8.290 nan 0.000 0.546 531 G N -1.158 107.518 108.800 -0.208 0.000 2.528 531 G HA2 0.593 4.553 3.960 -0.000 0.000 0.289 531 G HA3 0.593 4.553 3.960 -0.000 0.000 0.289 531 G C -0.327 174.414 174.900 -0.264 0.000 1.192 531 G CA -0.628 44.258 45.100 -0.358 0.000 0.921 531 G HN 0.459 nan 8.290 nan 0.000 0.512 532 F N -0.612 119.258 119.950 -0.134 0.000 2.563 532 F HA 0.179 4.706 4.527 -0.000 0.000 0.363 532 F C 0.750 176.498 175.800 -0.087 0.000 1.123 532 F CA -0.780 57.137 58.000 -0.139 0.000 1.307 532 F CB 0.594 39.497 39.000 -0.162 0.000 1.115 532 F HN 0.146 nan 8.300 nan 0.000 0.592 533 L N 6.239 127.534 121.223 0.121 0.000 2.418 533 L HA 0.352 4.692 4.340 -0.000 0.000 0.274 533 L C -2.332 174.564 176.870 0.044 0.000 1.135 533 L CA -1.961 52.917 54.840 0.062 0.000 0.870 533 L CB -0.146 41.940 42.059 0.045 0.000 1.154 533 L HN 0.286 nan 8.230 nan 0.000 0.462 534 P HA 0.173 nan 4.420 nan 0.000 0.262 534 P C 0.699 178.006 177.300 0.012 0.000 1.182 534 P CA 1.022 64.135 63.100 0.021 0.000 0.761 534 P CB 0.576 32.288 31.700 0.020 0.000 0.795 535 G N 2.174 110.973 108.800 -0.002 0.000 2.225 535 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 535 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 535 G C 0.412 175.315 174.900 0.004 0.000 0.988 535 G CA 0.254 45.358 45.100 0.007 0.000 0.625 535 G HN 0.538 nan 8.290 nan 0.000 0.527 536 S N 0.884 116.562 115.700 -0.037 0.000 2.327 536 S HA 0.556 5.026 4.470 -0.000 0.000 0.203 536 S C 0.413 174.862 174.600 -0.252 0.000 1.326 536 S CA -0.553 57.581 58.200 -0.111 0.000 1.248 536 S CB 0.386 63.505 63.200 -0.135 0.000 1.199 536 S HN 0.472 nan 8.310 nan 0.000 0.422 537 L N 2.559 123.630 121.223 -0.254 0.000 2.466 537 L HA 0.395 4.735 4.340 -0.000 0.000 0.257 537 L C -1.986 174.553 176.870 -0.552 0.000 1.189 537 L CA -2.260 52.309 54.840 -0.452 0.000 0.813 537 L CB 0.056 41.925 42.059 -0.317 0.000 1.118 537 L HN 0.104 nan 8.230 nan 0.000 0.471 538 P HA 0.058 nan 4.420 nan 0.000 0.271 538 P C -1.586 175.456 177.300 -0.429 0.000 1.220 538 P CA -0.055 62.644 63.100 -0.669 0.000 0.768 538 P CB 0.734 31.931 31.700 -0.838 0.000 0.848 539 Q N 1.621 121.200 119.800 -0.368 0.000 2.527 539 Q HA 0.455 4.795 4.340 -0.000 0.000 0.280 539 Q C -1.461 174.351 176.000 -0.313 0.000 0.977 539 Q CA -0.872 54.788 55.803 -0.238 0.000 0.837 539 Q CB 0.598 29.264 28.738 -0.119 0.000 1.454 539 Q HN 0.106 nan 8.270 nan 0.000 0.387 540 F N 1.659 121.513 119.950 -0.161 0.000 2.443 540 F HA 0.280 4.807 4.527 -0.000 0.000 0.353 540 F C 0.568 176.274 175.800 -0.157 0.000 1.101 540 F CA -0.202 57.698 58.000 -0.167 0.000 1.226 540 F CB 0.879 39.780 39.000 -0.166 0.000 1.140 540 F HN 0.404 nan 8.300 nan 0.000 0.557 541 M N 1.776 121.344 119.600 -0.054 0.000 2.255 541 M HA 0.175 4.655 4.480 -0.000 0.000 0.336 541 M C 0.075 176.326 176.300 -0.082 0.000 1.135 541 M CA -0.870 54.324 55.300 -0.177 0.000 1.145 541 M CB 0.525 32.870 32.600 -0.424 0.000 1.473 541 M HN 0.466 nan 8.290 nan 0.000 0.462 542 E N 2.305 122.438 120.200 -0.112 0.000 2.502 542 E HA 0.043 4.393 4.350 -0.000 0.000 0.261 542 E C -2.220 174.356 176.600 -0.041 0.000 0.974 542 E CA -0.579 55.786 56.400 -0.058 0.000 0.936 542 E CB -0.311 29.343 29.700 -0.077 0.000 0.926 542 E HN 0.240 nan 8.360 nan 0.000 0.459 543 P HA 0.021 nan 4.420 nan 0.000 0.263 543 P C 0.630 177.835 177.300 -0.157 0.000 1.195 543 P CA 1.081 64.185 63.100 0.006 0.000 0.762 543 P CB 0.677 32.376 31.700 -0.001 0.000 0.799 544 G N 2.611 111.317 108.800 -0.156 0.000 2.213 544 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.236 544 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.236 544 G C 0.747 175.585 174.900 -0.104 0.000 0.991 544 G CA -0.010 44.969 45.100 -0.201 0.000 0.629 544 G HN 0.487 nan 8.290 nan 0.000 0.517 545 L N 1.053 122.220 121.223 -0.093 0.000 2.265 545 L HA 0.173 4.513 4.340 -0.000 0.000 0.215 545 L C 2.809 179.673 176.870 -0.009 0.000 1.117 545 L CA 2.228 57.030 54.840 -0.064 0.000 0.782 545 L CB -0.401 41.551 42.059 -0.177 0.000 0.914 545 L HN 0.435 nan 8.230 nan 0.000 0.441 546 V N -0.512 119.372 119.914 -0.050 0.000 2.809 546 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 546 V C 1.529 177.547 176.094 -0.126 0.000 1.080 546 V CA 0.693 62.954 62.300 -0.066 0.000 1.102 546 V CB -0.199 31.602 31.823 -0.038 0.000 0.705 546 V HN 0.463 nan 8.190 nan 0.000 0.475 547 L N 0.169 121.389 121.223 -0.005 0.000 3.608 547 L HA -0.245 4.095 4.340 -0.000 0.000 0.422 547 L C 0.322 177.358 176.870 0.276 0.000 1.260 547 L CA 0.854 55.761 54.840 0.110 0.000 0.889 547 L CB -2.464 39.700 42.059 0.175 0.000 1.821 547 L HN 0.559 nan 8.230 nan 0.000 0.884 548 H N -0.758 118.422 119.070 0.183 0.000 2.492 548 H HA 0.274 4.830 4.556 -0.000 0.000 0.264 548 H C 0.533 175.999 175.328 0.229 0.000 1.150 548 H CA -1.030 55.165 56.048 0.245 0.000 0.962 548 H CB 0.734 30.669 29.762 0.288 0.000 1.766 548 H HN 0.208 nan 8.280 nan 0.000 0.589 549 L N 1.853 123.226 121.223 0.250 0.000 2.540 549 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 549 L C 0.560 177.566 176.870 0.225 0.000 1.212 549 L CA 0.755 55.687 54.840 0.153 0.000 0.893 549 L CB 0.374 42.485 42.059 0.086 0.000 1.138 549 L HN 0.256 nan 8.230 nan 0.000 0.491 550 G N 1.938 110.876 108.800 0.231 0.000 2.680 550 G HA2 0.535 4.495 3.960 -0.000 0.000 0.290 550 G HA3 0.535 4.495 3.960 -0.000 0.000 0.290 550 G C 0.255 175.258 174.900 0.171 0.000 1.355 550 G CA -0.304 44.959 45.100 0.271 0.000 0.903 550 G HN 1.327 nan 8.290 nan 0.000 0.474 551 G N -0.918 107.946 108.800 0.107 0.000 2.148 551 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 551 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 551 G C 1.254 176.203 174.900 0.082 0.000 0.981 551 G CA 1.561 46.724 45.100 0.105 0.000 0.670 551 G HN 1.863 nan 8.290 nan 0.000 0.528 552 T N -2.179 112.368 114.554 -0.010 0.000 3.055 552 T HA 0.181 4.531 4.350 -0.000 0.000 0.265 552 T C 0.996 175.750 174.700 0.089 0.000 1.111 552 T CA 1.719 63.856 62.100 0.063 0.000 1.118 552 T CB -0.229 68.691 68.868 0.087 0.000 0.909 552 T HN 1.446 nan 8.240 nan 0.000 0.501 553 H N -0.063 119.083 119.070 0.127 0.000 2.695 553 H HA 0.474 5.030 4.556 -0.000 0.000 0.222 553 H C -0.147 175.226 175.328 0.075 0.000 1.412 553 H CA -1.355 54.744 56.048 0.085 0.000 1.347 553 H CB -0.252 29.525 29.762 0.026 0.000 1.858 553 H HN 0.336 nan 8.280 nan 0.000 0.519 554 R N 0.802 121.379 120.500 0.129 0.000 2.615 554 R HA 0.380 4.720 4.340 -0.000 0.000 0.270 554 R C -0.331 176.028 176.300 0.099 0.000 1.081 554 R CA -0.840 55.310 56.100 0.082 0.000 1.154 554 R CB 1.082 31.421 30.300 0.065 0.000 1.063 554 R HN 0.472 nan 8.270 nan 0.000 0.519 555 M N 1.071 120.705 119.600 0.057 0.000 2.314 555 M HA 0.473 4.953 4.480 -0.000 0.000 0.342 555 M C -0.611 175.685 176.300 -0.008 0.000 1.171 555 M CA 0.141 55.454 55.300 0.022 0.000 1.098 555 M CB 1.677 34.264 32.600 -0.023 0.000 1.559 555 M HN 0.937 nan 8.290 nan 0.000 0.459 556 G N 2.116 110.924 108.800 0.013 0.000 2.550 556 G HA2 0.405 4.365 3.960 -0.000 0.000 0.293 556 G HA3 0.405 4.365 3.960 -0.000 0.000 0.293 556 G C -0.867 174.024 174.900 -0.014 0.000 1.402 556 G CA -0.699 44.352 45.100 -0.082 0.000 0.784 556 G HN 0.679 nan 8.290 nan 0.000 0.482 557 F N 0.037 120.077 119.950 0.150 0.000 2.163 557 F HA 0.205 4.732 4.527 -0.000 0.000 0.297 557 F C 1.270 177.195 175.800 0.208 0.000 1.094 557 F CA 1.241 59.333 58.000 0.153 0.000 1.290 557 F CB 0.464 39.517 39.000 0.088 0.000 1.017 557 F HN 0.291 nan 8.300 nan 0.000 0.483 558 D N -0.449 120.124 120.400 0.288 0.000 2.757 558 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 558 D C 0.611 176.789 176.300 -0.204 0.000 1.168 558 D CA -0.119 53.917 54.000 0.060 0.000 0.870 558 D CB 1.865 42.706 40.800 0.068 0.000 1.411 558 D HN 0.200 nan 8.370 nan 0.000 0.525 559 E N 3.181 122.957 120.200 -0.708 0.000 2.070 559 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 559 E C 1.096 177.505 176.600 -0.319 0.000 1.004 559 E CA 1.550 57.433 56.400 -0.863 0.000 0.805 559 E CB 0.397 29.442 29.700 -1.091 0.000 0.744 559 E HN 0.393 nan 8.360 nan 0.000 0.451 560 K N -0.176 120.096 120.400 -0.214 0.000 2.044 560 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 560 K C 2.201 178.769 176.600 -0.053 0.000 1.045 560 K CA 1.211 57.440 56.287 -0.096 0.000 0.951 560 K CB 0.044 32.505 32.500 -0.066 0.000 0.738 560 K HN 0.124 nan 8.250 nan 0.000 0.443 561 E N 0.807 120.985 120.200 -0.038 0.000 2.150 561 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 561 E C 0.789 177.390 176.600 0.002 0.000 0.985 561 E CA 0.944 57.343 56.400 -0.001 0.000 0.814 561 E CB 0.098 29.811 29.700 0.021 0.000 0.752 561 E HN 0.269 nan 8.360 nan 0.000 0.466 562 D N 0.081 120.475 120.400 -0.010 0.000 2.349 562 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 562 D C -0.562 175.673 176.300 -0.109 0.000 1.063 562 D CA 0.032 54.020 54.000 -0.020 0.000 0.847 562 D CB 0.028 40.854 40.800 0.043 0.000 0.933 562 D HN 0.091 nan 8.370 nan 0.000 0.513 563 N N 0.455 119.089 118.700 -0.110 0.000 2.667 563 N HA -0.185 4.555 4.740 -0.000 0.000 0.263 563 N C -0.266 175.163 175.510 -0.135 0.000 1.038 563 N CA 0.514 53.479 53.050 -0.142 0.000 0.749 563 N CB -1.514 36.792 38.487 -0.301 0.000 0.892 563 N HN 0.391 nan 8.380 nan 0.000 0.546 564 C N -3.373 115.910 119.300 -0.028 0.000 3.259 564 C HA 0.780 5.240 4.460 -0.000 0.000 0.328 564 C C 1.375 176.497 174.990 0.220 0.000 1.425 564 C CA -0.657 58.412 59.018 0.086 0.000 1.465 564 C CB 1.587 29.404 27.740 0.129 0.000 1.890 564 C HN 0.501 nan 8.230 nan 0.000 0.450 565 C N 0.212 119.700 119.300 0.312 0.000 3.123 565 C HA 0.506 4.966 4.460 -0.000 0.000 0.399 565 C C 0.648 175.816 174.990 0.296 0.000 1.320 565 C CA 0.617 59.834 59.018 0.332 0.000 1.949 565 C CB -0.325 27.534 27.740 0.199 0.000 2.692 565 C HN 0.957 nan 8.230 nan 0.000 0.623 566 V N 1.121 121.115 119.914 0.133 0.000 3.040 566 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 566 V C -0.877 174.975 176.094 -0.404 0.000 1.115 566 V CA -0.646 61.476 62.300 -0.297 0.000 0.998 566 V CB 1.616 33.333 31.823 -0.177 0.000 1.042 566 V HN 0.387 nan 8.190 nan 0.000 0.433 567 N N 0.672 118.936 118.700 -0.727 0.000 2.495 567 N HA 0.313 5.053 4.740 -0.000 0.000 0.294 567 N C 0.947 176.320 175.510 -0.228 0.000 1.276 567 N CA 0.182 52.988 53.050 -0.408 0.000 0.973 567 N CB -0.080 38.138 38.487 -0.448 0.000 1.143 567 N HN 0.927 nan 8.380 nan 0.000 0.589 568 T N -4.800 109.657 114.554 -0.161 0.000 3.160 568 T HA 0.075 4.425 4.350 -0.000 0.000 0.257 568 T C -0.014 174.605 174.700 -0.135 0.000 1.147 568 T CA 0.371 62.375 62.100 -0.159 0.000 1.064 568 T CB -0.401 68.381 68.868 -0.143 0.000 0.949 568 T HN 0.421 nan 8.240 nan 0.000 0.526 569 D N 1.149 121.458 120.400 -0.153 0.000 2.340 569 D HA 0.178 4.818 4.640 -0.000 0.000 0.217 569 D C 0.488 176.782 176.300 -0.009 0.000 1.081 569 D CA 0.071 54.000 54.000 -0.120 0.000 0.842 569 D CB 0.198 40.804 40.800 -0.324 0.000 0.934 569 D HN 0.337 nan 8.370 nan 0.000 0.511 570 S N 0.305 115.973 115.700 -0.055 0.000 3.476 570 S HA -0.256 4.214 4.470 -0.000 0.000 0.309 570 S C 0.552 175.125 174.600 -0.045 0.000 1.222 570 S CA 0.459 58.664 58.200 0.008 0.000 0.922 570 S CB -1.400 61.881 63.200 0.135 0.000 1.023 570 S HN 0.463 nan 8.310 nan 0.000 0.591 571 R N 1.144 121.482 120.500 -0.269 0.000 2.297 571 R HA 0.476 4.816 4.340 -0.000 0.000 0.308 571 R C -0.085 175.889 176.300 -0.543 0.000 1.029 571 R CA -0.435 55.305 56.100 -0.600 0.000 0.929 571 R CB 0.706 30.599 30.300 -0.679 0.000 1.046 571 R HN 0.137 nan 8.270 nan 0.000 0.461 572 V N 6.213 125.852 119.914 -0.458 0.000 2.529 572 V HA 0.019 4.139 4.120 -0.000 0.000 0.292 572 V C 0.137 176.160 176.094 -0.119 0.000 1.028 572 V CA 0.163 62.293 62.300 -0.284 0.000 1.074 572 V CB -0.049 31.604 31.823 -0.284 0.000 0.958 572 V HN 0.575 nan 8.190 nan 0.000 0.481 573 F N 3.989 123.965 119.950 0.044 0.000 2.612 573 F HA 0.376 4.903 4.527 -0.000 0.000 0.389 573 F C 1.568 177.485 175.800 0.195 0.000 1.055 573 F CA 1.598 59.651 58.000 0.089 0.000 1.232 573 F CB -0.052 38.997 39.000 0.083 0.000 1.044 573 F HN 0.795 nan 8.300 nan 0.000 0.560 574 G N 2.229 111.206 108.800 0.295 0.000 2.241 574 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 574 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 574 G C -0.148 174.716 174.900 -0.061 0.000 0.998 574 G CA -0.557 44.623 45.100 0.134 0.000 0.621 574 G HN 0.436 nan 8.290 nan 0.000 0.519 575 F N 1.110 121.086 119.950 0.043 0.000 2.427 575 F HA 0.598 5.125 4.527 -0.000 0.000 0.346 575 F C 1.398 177.190 175.800 -0.013 0.000 1.120 575 F CA -0.716 57.299 58.000 0.024 0.000 1.033 575 F CB 1.785 40.801 39.000 0.026 0.000 1.126 575 F HN -0.100 nan 8.300 nan 0.000 0.462 576 K N 1.256 121.745 120.400 0.148 0.000 2.148 576 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 576 K C 0.844 177.645 176.600 0.334 0.000 1.050 576 K CA 1.329 57.742 56.287 0.210 0.000 0.942 576 K CB 0.018 32.651 32.500 0.222 0.000 0.724 576 K HN 0.564 nan 8.250 nan 0.000 0.446 577 N N 0.039 118.915 118.700 0.294 0.000 2.305 577 N HA 0.047 4.787 4.740 -0.000 0.000 0.248 577 N C -0.937 174.705 175.510 0.219 0.000 1.290 577 N CA -0.299 52.982 53.050 0.384 0.000 0.873 577 N CB 0.279 39.022 38.487 0.426 0.000 1.261 577 N HN -0.044 nan 8.380 nan 0.000 0.504 578 L N 0.646 121.766 121.223 -0.172 0.000 2.376 578 L HA 0.699 5.039 4.340 -0.000 0.000 0.275 578 L C -1.864 174.619 176.870 -0.645 0.000 0.987 578 L CA -0.633 54.076 54.840 -0.218 0.000 0.828 578 L CB 0.970 42.906 42.059 -0.205 0.000 1.249 578 L HN -0.034 nan 8.230 nan 0.000 0.409 579 F N 4.904 124.780 119.950 -0.122 0.000 2.576 579 F HA 0.686 5.212 4.527 -0.000 0.000 0.313 579 F C -0.651 175.003 175.800 -0.243 0.000 1.078 579 F CA -0.702 57.204 58.000 -0.157 0.000 0.921 579 F CB 1.910 40.842 39.000 -0.112 0.000 1.232 579 F HN 0.186 nan 8.300 nan 0.000 0.459 580 L N 1.882 123.064 121.223 -0.067 0.000 2.365 580 L HA 0.886 5.225 4.340 -0.000 0.000 0.273 580 L C 0.027 176.901 176.870 0.006 0.000 1.000 580 L CA -0.834 53.903 54.840 -0.172 0.000 0.819 580 L CB 1.916 43.730 42.059 -0.409 0.000 1.284 580 L HN 0.778 nan 8.230 nan 0.000 0.418 581 G N 0.331 109.146 108.800 0.025 0.000 2.481 581 G HA2 0.816 4.776 3.960 -0.000 0.000 0.315 581 G HA3 0.816 4.776 3.960 -0.000 0.000 0.315 581 G C -0.434 174.580 174.900 0.190 0.000 1.231 581 G CA -0.304 44.913 45.100 0.196 0.000 0.968 581 G HN 0.978 nan 8.290 nan 0.000 0.482 582 G N -1.357 107.556 108.800 0.188 0.000 2.343 582 G HA2 0.045 4.005 3.960 -0.000 0.000 0.465 582 G HA3 0.045 4.005 3.960 -0.000 0.000 0.465 582 G C 0.763 175.732 174.900 0.115 0.000 1.282 582 G CA 0.061 45.254 45.100 0.154 0.000 0.996 582 G HN 1.113 nan 8.290 nan 0.000 0.521 583 C N 0.599 119.946 119.300 0.078 0.000 2.419 583 C HA 0.170 4.630 4.460 -0.000 0.000 0.281 583 C C 3.038 178.028 174.990 -0.002 0.000 1.336 583 C CA 1.948 60.991 59.018 0.042 0.000 1.770 583 C CB -1.330 26.469 27.740 0.098 0.000 1.929 583 C HN 1.273 nan 8.230 nan 0.000 0.509 584 G N 0.983 109.712 108.800 -0.118 0.000 2.498 584 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 584 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 584 G C 1.420 176.007 174.900 -0.521 0.000 1.119 584 G CA 0.697 45.467 45.100 -0.549 0.000 0.766 584 G HN 0.557 nan 8.290 nan 0.000 0.552 585 N N 0.433 119.058 118.700 -0.125 0.000 2.270 585 N HA 0.012 4.752 4.740 -0.000 0.000 0.181 585 N C 0.992 176.519 175.510 0.028 0.000 1.016 585 N CA 0.156 53.231 53.050 0.042 0.000 0.870 585 N CB -0.001 38.552 38.487 0.111 0.000 0.979 585 N HN 0.307 nan 8.380 nan 0.000 0.431 586 I N 2.989 123.572 120.570 0.022 0.000 2.587 586 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 586 I C -1.376 174.815 176.117 0.123 0.000 1.134 586 I CA -0.780 60.551 61.300 0.051 0.000 1.410 586 I CB 0.972 38.946 38.000 -0.044 0.000 1.392 586 I HN -0.023 nan 8.210 nan 0.000 0.545 587 P HA 0.087 nan 4.420 nan 0.000 0.275 587 P C 0.137 177.520 177.300 0.138 0.000 1.310 587 P CA 0.145 63.308 63.100 0.105 0.000 0.904 587 P CB 0.347 32.069 31.700 0.037 0.000 1.381 588 T N -2.255 112.412 114.554 0.189 0.000 2.923 588 T HA 0.699 5.048 4.350 -0.000 0.000 0.281 588 T C 0.150 174.995 174.700 0.242 0.000 0.995 588 T CA -0.887 61.318 62.100 0.174 0.000 0.985 588 T CB 1.189 70.134 68.868 0.129 0.000 1.114 588 T HN 0.032 nan 8.240 nan 0.000 0.548 589 A N 1.729 124.628 122.820 0.133 0.000 2.310 589 A HA 0.603 4.923 4.320 -0.000 0.000 0.300 589 A C -0.654 176.921 177.584 -0.016 0.000 1.269 589 A CA -0.848 51.220 52.037 0.051 0.000 0.909 589 A CB -0.961 18.075 19.000 0.061 0.000 1.144 589 A HN 0.841 nan 8.150 nan 0.000 0.540 590 Y N -0.207 120.012 120.300 -0.135 0.000 2.499 590 Y HA 0.732 5.282 4.550 -0.000 0.000 0.347 590 Y C 0.747 176.522 175.900 -0.209 0.000 0.987 590 Y CA -0.778 57.078 58.100 -0.408 0.000 1.044 590 Y CB 1.403 39.459 38.460 -0.674 0.000 1.245 590 Y HN 0.365 nan 8.280 nan 0.000 0.461 591 G N 0.667 109.358 108.800 -0.183 0.000 2.651 591 G HA2 0.377 4.337 3.960 -0.000 0.000 0.207 591 G HA3 0.377 4.337 3.960 -0.000 0.000 0.207 591 G C 0.510 175.446 174.900 0.060 0.000 1.131 591 G CA 0.191 45.356 45.100 0.109 0.000 0.816 591 G HN 0.963 nan 8.290 nan 0.000 0.534 592 A N 0.720 123.396 122.820 -0.239 0.000 2.366 592 A HA 0.463 4.783 4.320 -0.000 0.000 0.250 592 A C -0.051 177.409 177.584 -0.207 0.000 1.099 592 A CA -0.400 51.373 52.037 -0.441 0.000 0.794 592 A CB -0.013 18.735 19.000 -0.419 0.000 1.056 592 A HN 0.370 nan 8.150 nan 0.000 0.499 593 N N 1.328 119.811 118.700 -0.363 0.000 2.497 593 N HA 0.275 5.015 4.740 -0.000 0.000 0.268 593 N C -2.085 173.359 175.510 -0.110 0.000 1.171 593 N CA -0.962 51.865 53.050 -0.370 0.000 0.948 593 N CB 0.535 38.888 38.487 -0.224 0.000 1.069 593 N HN 0.390 nan 8.380 nan 0.000 0.460 594 P HA 0.019 nan 4.420 nan 0.000 0.251 594 P C 0.444 177.652 177.300 -0.153 0.000 1.223 594 P CA 0.553 63.572 63.100 -0.135 0.000 0.796 594 P CB 0.361 31.972 31.700 -0.149 0.000 1.068 595 T N 1.012 115.555 114.554 -0.019 0.000 2.746 595 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 595 T C 1.771 176.558 174.700 0.145 0.000 1.039 595 T CA 0.988 63.136 62.100 0.080 0.000 1.142 595 T CB -0.822 68.134 68.868 0.146 0.000 0.866 595 T HN 0.020 nan 8.240 nan 0.000 0.444 596 L N 1.014 122.336 121.223 0.165 0.000 2.079 596 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 596 L C 2.516 179.468 176.870 0.136 0.000 1.081 596 L CA 1.705 56.689 54.840 0.241 0.000 0.752 596 L CB -0.971 41.213 42.059 0.209 0.000 0.896 596 L HN 0.190 nan 8.230 nan 0.000 0.433 597 T N -0.510 113.995 114.554 -0.082 0.000 2.821 597 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 597 T C 1.880 176.510 174.700 -0.118 0.000 1.046 597 T CA 1.165 63.135 62.100 -0.218 0.000 1.139 597 T CB -0.387 67.956 68.868 -0.874 0.000 0.871 597 T HN 0.525 nan 8.240 nan 0.000 0.454 598 A N 1.338 124.098 122.820 -0.101 0.000 1.930 598 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 598 A C 2.289 179.851 177.584 -0.037 0.000 1.175 598 A CA 1.602 53.614 52.037 -0.042 0.000 0.627 598 A CB -0.667 18.329 19.000 -0.006 0.000 0.815 598 A HN 0.515 nan 8.150 nan 0.000 0.443 599 M N -0.307 119.279 119.600 -0.023 0.000 2.086 599 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 599 M C 2.181 178.396 176.300 -0.142 0.000 1.067 599 M CA 2.109 57.367 55.300 -0.070 0.000 1.116 599 M CB -0.171 32.402 32.600 -0.045 0.000 1.348 599 M HN 0.371 nan 8.290 nan 0.000 0.407 600 S N 1.170 116.790 115.700 -0.133 0.000 2.374 600 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 600 S C 1.743 176.169 174.600 -0.290 0.000 1.037 600 S CA 1.581 59.639 58.200 -0.236 0.000 1.024 600 S CB -0.605 62.420 63.200 -0.292 0.000 0.861 600 S HN 0.519 nan 8.310 nan 0.000 0.456 601 L N 0.958 122.048 121.223 -0.221 0.000 2.141 601 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 601 L C 2.748 179.492 176.870 -0.210 0.000 1.094 601 L CA 1.039 55.746 54.840 -0.221 0.000 0.763 601 L CB -0.690 41.302 42.059 -0.112 0.000 0.908 601 L HN 0.318 nan 8.230 nan 0.000 0.437 602 A N 0.456 123.143 122.820 -0.221 0.000 1.902 602 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 602 A C 2.226 179.497 177.584 -0.521 0.000 1.181 602 A CA 1.435 53.221 52.037 -0.418 0.000 0.623 602 A CB -0.602 18.149 19.000 -0.415 0.000 0.818 602 A HN 0.342 nan 8.150 nan 0.000 0.443 603 I N -0.574 119.777 120.570 -0.364 0.000 2.226 603 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 603 I C 2.539 178.494 176.117 -0.269 0.000 1.100 603 I CA 1.856 62.972 61.300 -0.307 0.000 1.374 603 I CB -0.246 37.588 38.000 -0.277 0.000 1.057 603 I HN 0.366 nan 8.210 nan 0.000 0.413 604 K N 0.493 120.733 120.400 -0.266 0.000 2.063 604 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 604 K C 2.365 178.880 176.600 -0.142 0.000 1.048 604 K CA 1.788 57.949 56.287 -0.210 0.000 0.928 604 K CB -0.112 32.236 32.500 -0.254 0.000 0.713 604 K HN 0.132 nan 8.250 nan 0.000 0.442 605 S N 0.089 115.689 115.700 -0.166 0.000 2.359 605 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 605 S C 2.052 176.574 174.600 -0.130 0.000 1.035 605 S CA 1.537 59.686 58.200 -0.085 0.000 1.018 605 S CB -0.502 62.681 63.200 -0.028 0.000 0.876 605 S HN 0.575 nan 8.310 nan 0.000 0.448 606 C N 1.540 120.671 119.300 -0.282 0.000 2.410 606 C HA -0.036 4.424 4.460 -0.000 0.000 0.281 606 C C 2.475 177.384 174.990 -0.134 0.000 1.318 606 C CA 0.809 59.678 59.018 -0.249 0.000 1.776 606 C CB -1.538 26.017 27.740 -0.308 0.000 1.942 606 C HN 0.678 nan 8.230 nan 0.000 0.508 607 E N -0.870 119.277 120.200 -0.088 0.000 2.107 607 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 607 E C 1.812 178.417 176.600 0.008 0.000 0.982 607 E CA 1.139 57.514 56.400 -0.042 0.000 0.809 607 E CB -0.253 29.419 29.700 -0.046 0.000 0.756 607 E HN 0.833 nan 8.360 nan 0.000 0.459 608 Y N 1.327 121.593 120.300 -0.057 0.000 2.163 608 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 608 Y C 1.969 177.890 175.900 0.037 0.000 1.136 608 Y CA 1.480 59.586 58.100 0.011 0.000 1.147 608 Y CB -0.083 38.422 38.460 0.075 0.000 0.987 608 Y HN -0.074 nan 8.280 nan 0.000 0.509 609 I N 0.374 120.992 120.570 0.081 0.000 2.208 609 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 609 I C 2.248 178.392 176.117 0.045 0.000 1.097 609 I CA 1.749 63.075 61.300 0.044 0.000 1.363 609 I CB -0.420 37.407 38.000 -0.289 0.000 1.051 609 I HN 0.190 nan 8.210 nan 0.000 0.413 610 K N 0.325 120.708 120.400 -0.028 0.000 2.147 610 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 610 K C 2.048 178.689 176.600 0.067 0.000 1.049 610 K CA 1.169 57.507 56.287 0.086 0.000 0.936 610 K CB -0.115 32.423 32.500 0.064 0.000 0.722 610 K HN 0.444 nan 8.250 nan 0.000 0.446 611 Q N -0.151 119.614 119.800 -0.060 0.000 2.389 611 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 611 Q C 0.917 176.803 176.000 -0.190 0.000 0.944 611 Q CA 0.592 56.326 55.803 -0.115 0.000 0.908 611 Q CB 0.363 29.005 28.738 -0.160 0.000 1.002 611 Q HN 0.332 nan 8.270 nan 0.000 0.493 612 N N -0.993 117.553 118.700 -0.257 0.000 2.159 612 N HA 0.153 4.892 4.740 -0.000 0.000 0.217 612 N C -0.939 174.179 175.510 -0.653 0.000 1.223 612 N CA 0.215 52.973 53.050 -0.487 0.000 0.896 612 N CB 0.987 38.995 38.487 -0.798 0.000 1.064 612 N HN -0.014 nan 8.380 nan 0.000 0.518 613 F N 0.393 120.369 119.950 0.043 0.000 2.578 613 F HA 0.333 4.860 4.527 -0.000 0.000 0.311 613 F C 0.107 176.033 175.800 0.211 0.000 1.094 613 F CA -0.669 57.414 58.000 0.140 0.000 0.923 613 F CB 1.832 40.937 39.000 0.175 0.000 1.230 613 F HN -0.366 nan 8.300 nan 0.000 0.450 614 T N 3.827 118.547 114.554 0.276 0.000 2.795 614 T HA 0.419 4.769 4.350 -0.000 0.000 0.282 614 T C -2.592 172.081 174.700 -0.046 0.000 0.980 614 T CA -1.428 60.720 62.100 0.081 0.000 1.012 614 T CB 1.172 70.056 68.868 0.028 0.000 0.936 614 T HN 0.133 nan 8.240 nan 0.000 0.457 615 P HA 0.121 nan 4.420 nan 0.000 0.268 615 P C 0.057 177.261 177.300 -0.160 0.000 1.205 615 P CA -0.364 62.456 63.100 -0.466 0.000 0.771 615 P CB 0.269 31.591 31.700 -0.630 0.000 0.858 616 S N 3.869 119.521 115.700 -0.080 0.000 2.573 616 S HA 0.255 4.725 4.470 -0.000 0.000 0.277 616 S C -1.949 172.634 174.600 -0.029 0.000 1.346 616 S CA -0.948 57.229 58.200 -0.038 0.000 1.034 616 S CB -0.952 62.227 63.200 -0.034 0.000 0.879 616 S HN 0.366 nan 8.310 nan 0.000 0.528 617 P HA 0.254 nan 4.420 nan 0.000 0.271 617 P C -0.625 176.737 177.300 0.104 0.000 1.218 617 P CA -0.408 62.719 63.100 0.045 0.000 0.780 617 P CB 0.280 32.002 31.700 0.037 0.000 0.901 618 F N 0.000 119.930 119.950 -0.034 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 618 F CB 0.000 38.987 39.000 -0.022 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574