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 1t6p_1_D DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAXXX XXXTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXXXXTRTED DATA SEQUENCE AISLQKALLE HQLCGVLPSS FDSFRLGRGL ENSLPLEVVR GAXTIRVNSL DATA SEQUENCE TRGHSAVRLV VLEALTNFLN HGITPIVPLR GTISXXXDLS PLSYIAAAIS DATA SEQUENCE GHPDSKVHVV HEGKEKILYA REAXALFNLE PVVLGPKEGL GLVNGTAVSA DATA SEQUENCE SXATLALHDA HXLSLLSQSL TAXTVEAXVG HAGSFHPFLH DVTRPHPTQI DATA SEQUENCE EVAGNIRKLL EGSRFAVHXX XXXXXXXXXX XXXQDRYPLR TSPQWLGPLV DATA SEQUENCE SDLIHAHAVL TIEAGQSTTD NPLIDVENKT SHHGGNFQAA AVANTXEKTR DATA SEQUENCE LGLAQIGKLN FTQLTEXLNA GXNRGLPSCL AAEDPSLSYH CKGLDIAAAA DATA SEQUENCE YTSELGHLAN PVTTHVQPAE XANQAVNSLA LISARRTTES NDVLSLLLAT DATA SEQUENCE HLYCVLQAID LRAIEFEFKK QFGPAIVSLI DQHFGSAXTG SNLRDELVEK DATA SEQUENCE VNKTLAKRLE QTNSYDLVPR WHDAFSFAAG TVVEVLSSTS LSLAAVNAWK DATA SEQUENCE VAAAESAISL TRQVRETFWS AASTSSPALS YLSPRTQILY AFVREELGVK DATA SEQUENCE ARRGDVFLGK QEVTIGSNVS KIYEAIKSGR INNVLLKXLA 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.613 174.600 0.022 0.000 1.055 27 S CA 0.000 58.219 58.200 0.033 0.000 1.107 27 S CB 0.000 63.221 63.200 0.036 0.000 0.593 28 T N 2.146 116.711 114.554 0.018 0.000 2.464 28 T HA -0.182 4.168 4.350 -0.000 0.000 0.384 28 T C 0.473 175.178 174.700 0.008 0.000 1.135 28 T CA 2.024 64.130 62.100 0.011 0.000 3.938 28 T CB -1.891 66.981 68.868 0.007 0.000 0.550 28 T HN 0.631 nan 8.240 nan 0.000 0.198 29 N N 2.156 120.862 118.700 0.009 0.000 1.895 29 N HA 0.093 4.833 4.740 -0.000 0.000 0.243 29 N C 1.278 176.786 175.510 -0.002 0.000 1.350 29 N CA 0.258 53.310 53.050 0.003 0.000 0.789 29 N CB 0.165 38.654 38.487 0.004 0.000 1.195 29 N HN 0.470 nan 8.380 nan 0.000 0.489 30 L N 0.102 121.327 121.223 0.003 0.000 3.417 30 L HA -0.379 3.961 4.340 -0.000 0.000 0.368 30 L C 1.688 178.542 176.870 -0.026 0.000 0.810 30 L CA 1.673 56.511 54.840 -0.004 0.000 3.108 30 L CB -1.465 40.589 42.059 -0.009 0.000 0.687 30 L HN 0.268 nan 8.230 nan 0.000 0.756 31 A N -0.989 121.810 122.820 -0.035 0.000 2.076 31 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 31 A C 1.871 179.413 177.584 -0.070 0.000 1.160 31 A CA 2.335 54.332 52.037 -0.066 0.000 0.653 31 A CB -0.224 18.746 19.000 -0.050 0.000 0.801 31 A HN 0.440 nan 8.150 nan 0.000 0.455 32 V N -2.213 117.695 119.914 -0.010 0.000 3.621 32 V HA 0.527 4.647 4.120 -0.000 0.000 0.263 32 V C 1.126 177.302 176.094 0.136 0.000 1.272 32 V CA 0.895 63.227 62.300 0.054 0.000 1.080 32 V CB -0.030 31.823 31.823 0.049 0.000 0.816 32 V HN 0.623 nan 8.190 nan 0.000 0.451 41 Q N 0.664 120.467 119.800 0.005 0.000 2.548 41 Q HA 0.532 4.872 4.340 -0.000 0.000 0.230 41 Q C 0.237 176.232 176.000 -0.009 0.000 0.899 41 Q CA 0.424 56.226 55.803 -0.001 0.000 0.936 41 Q CB 1.149 29.887 28.738 0.000 0.000 1.114 41 Q HN 0.326 nan 8.270 nan 0.000 0.606 42 V N 1.574 121.481 119.914 -0.011 0.000 2.513 42 V HA 0.675 4.795 4.120 -0.000 0.000 0.299 42 V C -0.574 175.502 176.094 -0.031 0.000 1.035 42 V CA 0.042 62.326 62.300 -0.027 0.000 0.889 42 V CB 1.537 33.339 31.823 -0.035 0.000 0.988 42 V HN 0.521 nan 8.190 nan 0.000 0.440 43 T N 2.011 116.536 114.554 -0.047 0.000 2.949 43 T HA 0.337 4.687 4.350 -0.000 0.000 0.287 43 T C 0.710 175.359 174.700 -0.085 0.000 1.034 43 T CA -0.055 62.016 62.100 -0.047 0.000 1.018 43 T CB 1.671 70.516 68.868 -0.038 0.000 1.135 43 T HN 0.692 nan 8.240 nan 0.000 0.532 44 Q N -0.012 119.745 119.800 -0.071 0.000 2.124 44 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 44 Q C 1.976 177.884 176.000 -0.153 0.000 0.977 44 Q CA 1.452 57.186 55.803 -0.115 0.000 0.850 44 Q CB -0.348 28.377 28.738 -0.022 0.000 0.901 44 Q HN 0.660 nan 8.270 nan 0.000 0.429 45 V N 1.475 121.330 119.914 -0.099 0.000 2.295 45 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 45 V C 1.752 177.779 176.094 -0.112 0.000 1.049 45 V CA 2.110 64.353 62.300 -0.095 0.000 1.024 45 V CB -0.579 31.205 31.823 -0.064 0.000 0.648 45 V HN 0.441 nan 8.190 nan 0.000 0.447 46 D N 0.041 120.378 120.400 -0.105 0.000 2.116 46 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 46 D C 2.058 178.270 176.300 -0.146 0.000 0.998 46 D CA 1.635 55.574 54.000 -0.102 0.000 0.836 46 D CB -0.255 40.493 40.800 -0.086 0.000 0.951 46 D HN 0.409 nan 8.370 nan 0.000 0.449 47 I N 0.521 120.954 120.570 -0.228 0.000 2.179 47 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 47 I C 2.475 178.409 176.117 -0.306 0.000 1.088 47 I CA 0.670 61.756 61.300 -0.357 0.000 1.357 47 I CB -0.157 37.460 38.000 -0.639 0.000 1.051 47 I HN -0.114 nan 8.210 nan 0.000 0.409 48 V N 0.539 120.279 119.914 -0.290 0.000 2.490 48 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 48 V C 2.428 178.455 176.094 -0.112 0.000 1.061 48 V CA 1.945 64.121 62.300 -0.206 0.000 1.064 48 V CB -0.650 31.068 31.823 -0.174 0.000 0.670 48 V HN 0.480 nan 8.190 nan 0.000 0.461 49 E N 0.305 120.445 120.200 -0.100 0.000 2.072 49 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 49 E C 1.673 178.248 176.600 -0.042 0.000 0.985 49 E CA 0.645 57.008 56.400 -0.061 0.000 0.801 49 E CB 0.074 29.739 29.700 -0.058 0.000 0.750 49 E HN 0.378 nan 8.360 nan 0.000 0.452 53 A N 0.843 123.672 122.820 0.016 0.000 2.275 53 A HA 0.622 4.942 4.320 -0.000 0.000 0.212 53 A C 1.153 178.744 177.584 0.012 0.000 1.201 53 A CA 0.612 52.655 52.037 0.009 0.000 0.843 53 A CB -0.175 18.827 19.000 0.002 0.000 0.873 53 A HN 0.251 nan 8.150 nan 0.000 0.492 54 A N 1.481 124.312 122.820 0.019 0.000 2.492 54 A HA 0.504 4.824 4.320 -0.000 0.000 0.254 54 A C -2.381 175.208 177.584 0.009 0.000 1.091 54 A CA -0.938 51.108 52.037 0.015 0.000 0.768 54 A CB -0.459 18.552 19.000 0.018 0.000 1.028 54 A HN 0.243 nan 8.150 nan 0.000 0.498 55 P HA 0.163 nan 4.420 nan 0.000 0.271 55 P C 0.793 178.092 177.300 -0.000 0.000 1.226 55 P CA 0.213 63.315 63.100 0.003 0.000 0.765 55 P CB 0.811 32.512 31.700 0.003 0.000 0.835 56 T N -2.335 112.219 114.554 -0.000 0.000 3.069 56 T HA 0.153 4.503 4.350 -0.000 0.000 0.252 56 T C 0.321 175.019 174.700 -0.003 0.000 1.053 56 T CA 0.325 62.423 62.100 -0.004 0.000 0.964 56 T CB -0.211 68.656 68.868 -0.003 0.000 1.005 56 T HN 0.103 nan 8.240 nan 0.000 0.532 57 D N 1.329 121.729 120.400 -0.001 0.000 3.105 57 D HA 0.209 4.849 4.640 -0.000 0.000 0.291 57 D C 0.689 176.988 176.300 -0.002 0.000 1.218 57 D CA 0.104 54.103 54.000 -0.001 0.000 1.029 57 D CB -0.289 40.512 40.800 0.002 0.000 1.207 57 D HN 0.287 nan 8.370 nan 0.000 0.437 58 S N 0.583 116.282 115.700 -0.001 0.000 2.573 58 S HA 0.008 4.478 4.470 -0.000 0.000 0.297 58 S C 0.123 174.721 174.600 -0.004 0.000 1.280 58 S CA -0.002 58.198 58.200 -0.001 0.000 1.061 58 S CB 0.050 63.250 63.200 0.001 0.000 0.812 58 S HN 0.088 nan 8.310 nan 0.000 0.500 59 T N 6.140 120.691 114.554 -0.004 0.000 2.916 59 T HA 0.141 4.491 4.350 -0.000 0.000 0.303 59 T C 0.059 174.756 174.700 -0.005 0.000 1.025 59 T CA -0.231 61.865 62.100 -0.007 0.000 1.142 59 T CB 0.289 69.153 68.868 -0.007 0.000 0.947 59 T HN 0.581 nan 8.240 nan 0.000 0.544 60 L N 4.514 125.733 121.223 -0.006 0.000 2.260 60 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 60 L C -0.001 176.867 176.870 -0.002 0.000 1.057 60 L CA -0.301 54.537 54.840 -0.004 0.000 0.811 60 L CB 0.380 42.435 42.059 -0.006 0.000 1.184 60 L HN 0.714 nan 8.230 nan 0.000 0.429 61 E N 6.685 126.887 120.200 0.002 0.000 2.115 61 E HA 0.313 4.663 4.350 -0.000 0.000 0.282 61 E C -0.781 175.824 176.600 0.008 0.000 0.987 61 E CA -0.609 55.793 56.400 0.005 0.000 0.797 61 E CB 1.676 31.380 29.700 0.006 0.000 1.086 61 E HN 0.587 nan 8.360 nan 0.000 0.397 62 L N 3.762 124.988 121.223 0.006 0.000 2.331 62 L HA 0.141 4.481 4.340 -0.000 0.000 0.278 62 L C 1.071 177.953 176.870 0.019 0.000 1.106 62 L CA -0.039 54.806 54.840 0.008 0.000 0.824 62 L CB 0.370 42.427 42.059 -0.002 0.000 1.142 62 L HN 0.675 nan 8.230 nan 0.000 0.443 63 D N 1.272 121.695 120.400 0.039 0.000 2.520 63 D HA 0.090 4.730 4.640 -0.000 0.000 0.223 63 D C 1.024 177.402 176.300 0.130 0.000 1.186 63 D CA 0.562 54.604 54.000 0.069 0.000 0.821 63 D CB 1.202 42.046 40.800 0.072 0.000 1.072 63 D HN 0.761 nan 8.370 nan 0.000 0.518 64 G N 0.659 109.493 108.800 0.056 0.000 2.176 64 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.253 64 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.253 64 G C 0.397 175.137 174.900 -0.266 0.000 0.979 64 G CA 0.736 45.799 45.100 -0.061 0.000 0.641 64 G HN 0.419 nan 8.290 nan 0.000 0.530 65 Y N -0.741 119.547 120.300 -0.019 0.000 2.460 65 Y HA 0.327 4.877 4.550 -0.000 0.000 0.276 65 Y C 2.384 178.278 175.900 -0.010 0.000 1.119 65 Y CA 0.796 58.888 58.100 -0.014 0.000 1.181 65 Y CB 0.145 38.596 38.460 -0.015 0.000 1.304 65 Y HN 0.205 nan 8.280 nan 0.000 0.536 66 S N 0.427 116.207 115.700 0.133 0.000 2.528 66 S HA 0.057 4.527 4.470 -0.000 0.000 0.219 66 S C 0.477 175.100 174.600 0.039 0.000 0.985 66 S CA -0.065 58.180 58.200 0.075 0.000 0.914 66 S CB -0.173 63.061 63.200 0.058 0.000 0.776 66 S HN 0.118 nan 8.310 nan 0.000 0.526 67 L N 4.161 125.395 121.223 0.019 0.000 2.540 67 L HA 0.154 4.494 4.340 -0.000 0.000 0.276 67 L C -0.063 176.806 176.870 -0.001 0.000 1.212 67 L CA 0.172 55.013 54.840 0.001 0.000 0.893 67 L CB -0.172 41.877 42.059 -0.017 0.000 1.138 67 L HN 0.303 nan 8.230 nan 0.000 0.491 68 N N 2.736 121.439 118.700 0.004 0.000 2.380 68 N HA 0.362 5.102 4.740 -0.000 0.000 0.290 68 N C 0.356 175.868 175.510 0.002 0.000 1.236 68 N CA -0.890 52.165 53.050 0.008 0.000 0.780 68 N CB 0.442 38.952 38.487 0.038 0.000 1.438 68 N HN 0.258 nan 8.380 nan 0.000 0.491 69 L N 0.193 121.410 121.223 -0.009 0.000 2.081 69 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 69 L C 2.284 179.184 176.870 0.049 0.000 1.080 69 L CA 2.261 57.098 54.840 -0.006 0.000 0.754 69 L CB -1.383 40.632 42.059 -0.073 0.000 0.893 69 L HN 0.970 nan 8.230 nan 0.000 0.433 70 G N -1.340 107.509 108.800 0.081 0.000 2.402 70 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 70 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 70 G C 1.292 176.204 174.900 0.020 0.000 1.162 70 G CA 0.659 45.804 45.100 0.074 0.000 0.777 70 G HN 0.335 nan 8.290 nan 0.000 0.539 71 D N 0.532 120.940 120.400 0.014 0.000 2.092 71 D HA -0.115 4.525 4.640 -0.000 0.000 0.193 71 D C 2.848 179.137 176.300 -0.019 0.000 0.994 71 D CA 1.114 55.113 54.000 -0.002 0.000 0.828 71 D CB -0.733 40.067 40.800 0.001 0.000 0.963 71 D HN 0.168 nan 8.370 nan 0.000 0.450 72 V N 1.025 120.926 119.914 -0.022 0.000 2.282 72 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 72 V C 2.728 178.788 176.094 -0.056 0.000 1.057 72 V CA 1.313 63.593 62.300 -0.035 0.000 1.032 72 V CB -0.711 31.092 31.823 -0.034 0.000 0.645 72 V HN 0.055 nan 8.190 nan 0.000 0.447 73 V N 0.998 120.863 119.914 -0.082 0.000 2.343 73 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 73 V C 2.757 178.778 176.094 -0.122 0.000 1.051 73 V CA 2.316 64.521 62.300 -0.158 0.000 1.036 73 V CB -0.855 30.768 31.823 -0.333 0.000 0.654 73 V HN 0.800 nan 8.190 nan 0.000 0.451 74 S N 1.181 116.835 115.700 -0.078 0.000 2.356 74 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 74 S C 2.120 176.694 174.600 -0.043 0.000 1.032 74 S CA 1.519 59.688 58.200 -0.052 0.000 1.005 74 S CB -0.621 62.562 63.200 -0.027 0.000 0.867 74 S HN 0.577 nan 8.310 nan 0.000 0.449 75 A N 2.167 124.964 122.820 -0.038 0.000 1.873 75 A HA 0.340 4.660 4.320 -0.000 0.000 0.215 75 A C 2.572 180.135 177.584 -0.035 0.000 1.186 75 A CA 1.834 53.852 52.037 -0.031 0.000 0.616 75 A CB -1.509 17.476 19.000 -0.026 0.000 0.823 75 A HN 0.925 nan 8.150 nan 0.000 0.442 76 A N -0.847 121.946 122.820 -0.045 0.000 1.898 76 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 76 A C 2.281 179.834 177.584 -0.051 0.000 1.181 76 A CA 1.538 53.547 52.037 -0.047 0.000 0.620 76 A CB -0.268 18.700 19.000 -0.054 0.000 0.819 76 A HN 0.515 nan 8.150 nan 0.000 0.442 77 R N -1.419 119.042 120.500 -0.064 0.000 2.250 77 R HA 0.105 4.445 4.340 -0.000 0.000 0.194 77 R C 0.783 177.058 176.300 -0.042 0.000 0.927 77 R CA 0.409 56.474 56.100 -0.059 0.000 1.052 77 R CB 0.214 30.464 30.300 -0.083 0.000 1.055 77 R HN 0.186 nan 8.270 nan 0.000 0.537 78 K N -0.220 120.157 120.400 -0.039 0.000 2.372 78 K HA 0.238 4.558 4.320 -0.000 0.000 0.200 78 K C 0.855 177.445 176.600 -0.017 0.000 1.022 78 K CA 0.610 56.883 56.287 -0.024 0.000 1.125 78 K CB 0.964 33.450 32.500 -0.023 0.000 0.855 78 K HN 0.306 nan 8.250 nan 0.000 0.524 79 G N 2.544 111.333 108.800 -0.019 0.000 2.166 79 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 79 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 79 G C 0.188 175.077 174.900 -0.018 0.000 0.986 79 G CA 0.517 45.608 45.100 -0.015 0.000 0.683 79 G HN 0.423 nan 8.290 nan 0.000 0.527 80 R N 0.839 121.327 120.500 -0.019 0.000 2.537 80 R HA 0.228 4.568 4.340 -0.000 0.000 0.281 80 R C -2.053 174.233 176.300 -0.023 0.000 0.988 80 R CA -0.718 55.371 56.100 -0.018 0.000 1.077 80 R CB 0.203 30.492 30.300 -0.017 0.000 0.932 80 R HN 0.114 nan 8.270 nan 0.000 0.409 81 P HA 0.006 nan 4.420 nan 0.000 0.268 81 P C -1.059 176.226 177.300 -0.025 0.000 1.205 81 P CA -0.120 62.961 63.100 -0.033 0.000 0.771 81 P CB 0.948 32.628 31.700 -0.033 0.000 0.858 82 V N 4.117 124.015 119.914 -0.028 0.000 2.960 82 V HA 0.724 4.844 4.120 -0.000 0.000 0.315 82 V C 0.020 176.105 176.094 -0.016 0.000 1.087 82 V CA -0.553 61.736 62.300 -0.018 0.000 0.982 82 V CB 2.092 33.906 31.823 -0.015 0.000 1.039 82 V HN 0.535 nan 8.190 nan 0.000 0.437 83 R N 1.165 121.660 120.500 -0.008 0.000 2.644 83 R HA 0.504 4.844 4.340 -0.000 0.000 0.257 83 R C -1.581 174.719 176.300 0.001 0.000 1.082 83 R CA -0.616 55.482 56.100 -0.003 0.000 0.927 83 R CB 1.950 32.248 30.300 -0.004 0.000 1.258 83 R HN 0.693 nan 8.270 nan 0.000 0.459 84 V N 1.380 121.296 119.914 0.003 0.000 2.572 84 V HA 0.246 4.366 4.120 -0.000 0.000 0.291 84 V C 0.442 176.540 176.094 0.007 0.000 1.039 84 V CA -0.436 61.867 62.300 0.005 0.000 1.055 84 V CB 0.886 32.712 31.823 0.005 0.000 0.969 84 V HN 0.771 nan 8.190 nan 0.000 0.482 85 K N 4.170 124.575 120.400 0.009 0.000 2.453 85 K HA -0.036 4.284 4.320 -0.000 0.000 0.280 85 K C 0.245 176.850 176.600 0.008 0.000 1.045 85 K CA -0.078 56.214 56.287 0.009 0.000 1.059 85 K CB 0.267 32.774 32.500 0.012 0.000 0.901 85 K HN 1.023 nan 8.250 nan 0.000 0.475 86 D N 2.925 123.329 120.400 0.007 0.000 2.425 86 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 86 D C -1.142 175.160 176.300 0.005 0.000 1.147 86 D CA 0.592 54.596 54.000 0.007 0.000 0.879 86 D CB 0.785 41.590 40.800 0.007 0.000 1.179 86 D HN 0.552 nan 8.370 nan 0.000 0.456 87 S N 3.115 118.817 115.700 0.004 0.000 2.578 87 S HA 0.088 4.558 4.470 -0.000 0.000 0.285 87 S C 0.098 174.698 174.600 0.000 0.000 1.126 87 S CA -0.760 57.441 58.200 0.001 0.000 0.878 87 S CB 1.482 64.681 63.200 -0.001 0.000 1.091 87 S HN 0.391 nan 8.310 nan 0.000 0.450 88 D N 2.348 122.747 120.400 -0.001 0.000 2.144 88 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 88 D C 1.380 177.678 176.300 -0.004 0.000 0.978 88 D CA 1.351 55.350 54.000 -0.001 0.000 0.833 88 D CB 0.109 40.908 40.800 -0.001 0.000 0.961 88 D HN 0.700 nan 8.370 nan 0.000 0.470 89 E N 0.466 120.661 120.200 -0.008 0.000 2.110 89 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 89 E C 2.147 178.741 176.600 -0.011 0.000 0.988 89 E CA 0.412 56.804 56.400 -0.014 0.000 0.804 89 E CB 0.005 29.691 29.700 -0.024 0.000 0.745 89 E HN 0.231 nan 8.360 nan 0.000 0.458 90 I N 1.039 121.605 120.570 -0.006 0.000 2.133 90 I HA -0.233 3.937 4.170 -0.000 0.000 0.238 90 I C 2.344 178.460 176.117 -0.002 0.000 1.074 90 I CA 1.570 62.869 61.300 -0.002 0.000 1.342 90 I CB -1.114 36.889 38.000 0.005 0.000 1.053 90 I HN 0.197 nan 8.210 nan 0.000 0.404 91 R N 0.524 121.025 120.500 0.002 0.000 2.235 91 R HA -0.051 4.288 4.340 -0.000 0.000 0.213 91 R C 2.242 178.546 176.300 0.006 0.000 1.059 91 R CA 1.313 57.416 56.100 0.005 0.000 0.997 91 R CB -0.557 29.748 30.300 0.008 0.000 0.884 91 R HN 0.247 nan 8.270 nan 0.000 0.462 92 S N 2.278 117.980 115.700 0.003 0.000 2.345 92 S HA -0.160 4.310 4.470 -0.000 0.000 0.219 92 S C 1.878 176.481 174.600 0.005 0.000 1.031 92 S CA 1.239 59.442 58.200 0.005 0.000 0.984 92 S CB -0.098 63.102 63.200 0.001 0.000 0.874 92 S HN 0.631 nan 8.310 nan 0.000 0.451 93 K N 0.404 120.801 120.400 -0.004 0.000 2.365 93 K HA 0.081 4.401 4.320 -0.000 0.000 0.199 93 K C 2.009 178.606 176.600 -0.005 0.000 1.045 93 K CA 1.082 57.364 56.287 -0.009 0.000 0.962 93 K CB -0.361 32.122 32.500 -0.028 0.000 0.759 93 K HN 0.441 nan 8.250 nan 0.000 0.469 94 I N 2.062 122.632 120.570 -0.001 0.000 2.235 94 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 94 I C 1.751 177.883 176.117 0.024 0.000 1.085 94 I CA 1.142 62.446 61.300 0.007 0.000 1.378 94 I CB -0.264 37.739 38.000 0.006 0.000 1.076 94 I HN 0.177 nan 8.210 nan 0.000 0.415 95 D N 1.041 121.455 120.400 0.024 0.000 2.117 95 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 95 D C 2.051 178.380 176.300 0.047 0.000 0.987 95 D CA 1.263 55.282 54.000 0.033 0.000 0.829 95 D CB -0.158 40.658 40.800 0.026 0.000 0.961 95 D HN 0.233 nan 8.370 nan 0.000 0.460 96 K N 0.665 121.091 120.400 0.043 0.000 2.209 96 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 96 K C 2.062 178.717 176.600 0.091 0.000 1.048 96 K CA 1.106 57.429 56.287 0.060 0.000 0.940 96 K CB 0.123 32.646 32.500 0.037 0.000 0.729 96 K HN 0.068 nan 8.250 nan 0.000 0.451 97 S N -0.891 114.853 115.700 0.074 0.000 2.478 97 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 97 S C 1.829 176.517 174.600 0.147 0.000 1.008 97 S CA 0.412 58.673 58.200 0.101 0.000 0.928 97 S CB 0.165 63.401 63.200 0.059 0.000 0.781 97 S HN 0.050 nan 8.310 nan 0.000 0.518 98 V N 2.077 122.054 119.914 0.104 0.000 2.346 98 V HA -0.028 4.092 4.120 -0.000 0.000 0.244 98 V C 2.616 178.767 176.094 0.096 0.000 1.037 98 V CA 1.897 64.251 62.300 0.091 0.000 1.029 98 V CB -0.732 31.126 31.823 0.058 0.000 0.663 98 V HN 0.519 nan 8.190 nan 0.000 0.454 99 E N -0.508 119.748 120.200 0.095 0.000 2.268 99 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 99 E C 1.918 178.575 176.600 0.095 0.000 0.995 99 E CA 1.097 57.543 56.400 0.076 0.000 0.836 99 E CB -0.144 29.594 29.700 0.064 0.000 0.763 99 E HN 0.667 nan 8.360 nan 0.000 0.491 100 F N 0.823 120.784 119.950 0.018 0.000 2.325 100 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 100 F C 1.799 177.609 175.800 0.017 0.000 1.090 100 F CA 0.531 58.542 58.000 0.018 0.000 1.392 100 F CB 0.128 39.141 39.000 0.023 0.000 1.053 100 F HN -0.020 nan 8.300 nan 0.000 0.521 101 L N 1.076 122.347 121.223 0.079 0.000 2.022 101 L HA -0.032 4.308 4.340 -0.000 0.000 0.204 101 L C 2.505 179.326 176.870 -0.082 0.000 1.076 101 L CA 1.605 56.446 54.840 0.001 0.000 0.749 101 L CB -0.893 41.220 42.059 0.089 0.000 0.903 101 L HN -0.021 nan 8.230 nan 0.000 0.439 102 R N -0.261 120.220 120.500 -0.032 0.000 2.153 102 R HA -0.197 4.143 4.340 -0.000 0.000 0.252 102 R C 2.152 178.407 176.300 -0.075 0.000 1.158 102 R CA 1.679 57.757 56.100 -0.037 0.000 0.975 102 R CB -1.035 29.259 30.300 -0.011 0.000 0.871 102 R HN 0.660 nan 8.270 nan 0.000 0.450 103 S N 0.141 115.767 115.700 -0.124 0.000 2.607 103 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 103 S C 0.347 174.833 174.600 -0.190 0.000 0.969 103 S CA 0.036 58.148 58.200 -0.147 0.000 0.927 103 S CB 0.030 63.129 63.200 -0.169 0.000 0.772 103 S HN 0.327 nan 8.310 nan 0.000 0.533 123 R N 0.442 120.940 120.500 -0.005 0.000 2.297 123 R HA 0.375 4.715 4.340 -0.000 0.000 0.197 123 R C 1.536 177.833 176.300 -0.005 0.000 0.943 123 R CA 0.852 56.949 56.100 -0.005 0.000 1.038 123 R CB -1.165 29.131 30.300 -0.007 0.000 0.957 123 R HN 0.269 nan 8.270 nan 0.000 0.484 124 T N 1.678 116.230 114.554 -0.004 0.000 2.814 124 T HA -0.092 4.258 4.350 -0.000 0.000 0.254 124 T C 1.234 175.933 174.700 -0.001 0.000 1.037 124 T CA 1.493 63.592 62.100 -0.003 0.000 1.143 124 T CB -0.074 68.792 68.868 -0.003 0.000 0.866 124 T HN 0.664 nan 8.240 nan 0.000 0.431 125 E N 0.854 121.053 120.200 -0.001 0.000 2.502 125 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 125 E C 0.992 177.593 176.600 0.001 0.000 1.062 125 E CA 0.433 56.833 56.400 -0.000 0.000 0.867 125 E CB -0.032 29.667 29.700 -0.001 0.000 0.888 125 E HN 0.190 nan 8.360 nan 0.000 0.510 126 D N 0.769 121.169 120.400 0.000 0.000 2.355 126 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 126 D C 1.575 177.877 176.300 0.003 0.000 1.004 126 D CA 0.694 54.695 54.000 0.001 0.000 0.880 126 D CB 0.371 41.170 40.800 -0.001 0.000 0.911 126 D HN 0.320 nan 8.370 nan 0.000 0.528 127 A N 0.021 122.843 122.820 0.004 0.000 2.030 127 A HA 0.097 4.417 4.320 -0.000 0.000 0.215 127 A C 2.101 179.691 177.584 0.010 0.000 1.164 127 A CA 0.128 52.169 52.037 0.007 0.000 0.697 127 A CB -0.240 18.763 19.000 0.006 0.000 0.827 127 A HN 0.316 nan 8.150 nan 0.000 0.457 128 I N -0.928 119.647 120.570 0.008 0.000 2.716 128 I HA -0.086 4.084 4.170 -0.000 0.000 0.259 128 I C 2.003 178.127 176.117 0.011 0.000 1.172 128 I CA 1.063 62.369 61.300 0.009 0.000 1.478 128 I CB 0.147 38.150 38.000 0.006 0.000 1.104 128 I HN 0.214 nan 8.210 nan 0.000 0.439 129 S N 1.017 116.723 115.700 0.009 0.000 2.368 129 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 129 S C 1.793 176.403 174.600 0.016 0.000 1.029 129 S CA 1.251 59.457 58.200 0.010 0.000 0.988 129 S CB -0.337 62.867 63.200 0.006 0.000 0.838 129 S HN 0.420 nan 8.310 nan 0.000 0.462 130 L N 1.687 122.919 121.223 0.016 0.000 2.083 130 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 130 L C 2.240 179.129 176.870 0.032 0.000 1.083 130 L CA 1.693 56.546 54.840 0.021 0.000 0.752 130 L CB -0.580 41.489 42.059 0.017 0.000 0.899 130 L HN 0.145 nan 8.230 nan 0.000 0.433 131 Q N -0.235 119.582 119.800 0.028 0.000 2.050 131 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 131 Q C 2.132 178.152 176.000 0.034 0.000 0.980 131 Q CA 1.924 57.744 55.803 0.029 0.000 0.840 131 Q CB -0.059 28.691 28.738 0.021 0.000 0.898 131 Q HN 0.477 nan 8.270 nan 0.000 0.424 132 K N -0.692 119.728 120.400 0.033 0.000 2.288 132 K HA 0.018 4.337 4.320 -0.000 0.000 0.201 132 K C 1.866 178.500 176.600 0.057 0.000 1.048 132 K CA 0.872 57.184 56.287 0.041 0.000 0.956 132 K CB 0.011 32.529 32.500 0.029 0.000 0.746 132 K HN 0.155 nan 8.250 nan 0.000 0.461 133 A N 1.157 124.013 122.820 0.061 0.000 1.874 133 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 133 A C 1.870 179.563 177.584 0.181 0.000 1.189 133 A CA 0.822 52.910 52.037 0.086 0.000 0.615 133 A CB -0.274 18.756 19.000 0.049 0.000 0.830 133 A HN 0.097 nan 8.150 nan 0.000 0.443 134 L N -0.848 120.473 121.223 0.162 0.000 2.549 134 L HA 0.019 4.359 4.340 -0.000 0.000 0.229 134 L C 1.882 178.759 176.870 0.012 0.000 1.158 134 L CA 0.892 55.875 54.840 0.239 0.000 0.842 134 L CB -0.374 41.772 42.059 0.144 0.000 0.952 134 L HN 0.385 nan 8.230 nan 0.000 0.452 135 L N -1.697 119.527 121.223 0.001 0.000 2.537 135 L HA 0.076 4.416 4.340 -0.000 0.000 0.224 135 L C 2.282 179.086 176.870 -0.110 0.000 1.065 135 L CA 0.804 55.587 54.840 -0.094 0.000 0.860 135 L CB -0.163 41.877 42.059 -0.031 0.000 1.086 135 L HN 0.285 nan 8.230 nan 0.000 0.482 136 E N -0.736 119.469 120.200 0.009 0.000 2.051 136 E HA -0.280 4.070 4.350 -0.000 0.000 0.192 136 E C 1.922 178.534 176.600 0.020 0.000 0.991 136 E CA 1.543 57.962 56.400 0.032 0.000 0.799 136 E CB -0.161 29.590 29.700 0.084 0.000 0.748 136 E HN 0.726 nan 8.360 nan 0.000 0.449 137 H N -0.979 118.071 119.070 -0.032 0.000 2.482 137 H HA 0.064 4.620 4.556 -0.000 0.000 0.286 137 H C 1.597 176.905 175.328 -0.034 0.000 1.017 137 H CA 0.570 56.602 56.048 -0.027 0.000 1.322 137 H CB 0.083 29.834 29.762 -0.018 0.000 1.426 137 H HN 0.146 nan 8.280 nan 0.000 0.546 138 Q N 1.059 120.494 119.800 -0.607 0.000 2.311 138 Q HA 0.142 4.482 4.340 -0.000 0.000 0.203 138 Q C 1.252 177.110 176.000 -0.236 0.000 0.954 138 Q CA 0.182 55.728 55.803 -0.428 0.000 0.885 138 Q CB 0.258 28.725 28.738 -0.451 0.000 0.963 138 Q HN 0.505 nan 8.270 nan 0.000 0.471 139 L N 1.618 122.656 121.223 -0.309 0.000 2.533 139 L HA 0.077 4.417 4.340 -0.000 0.000 0.239 139 L C 0.703 177.514 176.870 -0.098 0.000 1.376 139 L CA -0.353 54.214 54.840 -0.455 0.000 1.240 139 L CB -0.471 41.226 42.059 -0.603 0.000 1.487 139 L HN 0.185 nan 8.230 nan 0.000 0.419 140 C N -3.065 116.274 119.300 0.065 0.000 3.125 140 C HA 0.496 4.956 4.460 -0.000 0.000 0.284 140 C C 1.183 176.251 174.990 0.129 0.000 1.386 140 C CA -0.680 58.393 59.018 0.093 0.000 1.763 140 C CB -0.995 26.777 27.740 0.054 0.000 2.377 140 C HN 0.508 nan 8.230 nan 0.000 0.620 141 G N 0.903 109.828 108.800 0.209 0.000 2.528 141 G HA2 0.516 4.476 3.960 -0.000 0.000 0.289 141 G HA3 0.516 4.476 3.960 -0.000 0.000 0.289 141 G C -0.360 174.565 174.900 0.043 0.000 1.192 141 G CA 0.289 45.431 45.100 0.071 0.000 0.921 141 G HN 1.098 nan 8.290 nan 0.000 0.512 142 V N -0.317 119.593 119.914 -0.006 0.000 2.532 142 V HA 0.872 4.992 4.120 -0.000 0.000 0.295 142 V C -0.460 175.616 176.094 -0.030 0.000 1.041 142 V CA -0.732 61.567 62.300 -0.002 0.000 0.926 142 V CB 0.962 32.786 31.823 0.002 0.000 0.992 142 V HN 0.589 nan 8.190 nan 0.000 0.457 143 L N 4.424 125.644 121.223 -0.006 0.000 2.479 143 L HA 0.617 4.957 4.340 -0.000 0.000 0.255 143 L C -2.389 174.501 176.870 0.032 0.000 1.026 143 L CA -1.868 52.973 54.840 0.002 0.000 0.842 143 L CB 2.745 44.807 42.059 0.005 0.000 1.444 143 L HN 0.565 nan 8.230 nan 0.000 0.409 144 P HA 0.028 nan 4.420 nan 0.000 0.264 144 P C 0.396 177.720 177.300 0.041 0.000 1.193 144 P CA -0.087 63.069 63.100 0.093 0.000 0.763 144 P CB 1.042 32.883 31.700 0.235 0.000 0.810 145 S N 1.198 116.898 115.700 -0.000 0.000 2.474 145 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 145 S C 0.958 175.455 174.600 -0.172 0.000 0.997 145 S CA 0.549 58.716 58.200 -0.055 0.000 0.949 145 S CB -0.221 62.962 63.200 -0.029 0.000 0.766 145 S HN 0.676 nan 8.310 nan 0.000 0.517 146 S N -1.016 114.557 115.700 -0.213 0.000 2.703 146 S HA 0.618 5.088 4.470 -0.000 0.000 0.273 146 S C -1.524 172.816 174.600 -0.434 0.000 1.178 146 S CA -0.766 57.137 58.200 -0.496 0.000 0.838 146 S CB -0.103 62.939 63.200 -0.263 0.000 1.178 146 S HN 0.102 nan 8.310 nan 0.000 0.494 147 F N 1.612 121.511 119.950 -0.084 0.000 2.730 147 F HA 0.398 4.925 4.527 -0.000 0.000 0.295 147 F C 0.904 176.697 175.800 -0.012 0.000 1.143 147 F CA -0.563 57.286 58.000 -0.253 0.000 1.367 147 F CB -0.272 38.444 39.000 -0.475 0.000 0.970 147 F HN 0.387 nan 8.300 nan 0.000 0.514 148 D N -0.632 119.857 120.400 0.148 0.000 2.271 148 D HA -0.073 4.567 4.640 -0.000 0.000 0.206 148 D C 2.188 178.594 176.300 0.177 0.000 0.967 148 D CA 1.051 55.128 54.000 0.129 0.000 0.867 148 D CB 0.051 40.888 40.800 0.062 0.000 0.960 148 D HN 0.160 nan 8.370 nan 0.000 0.509 149 S N -0.500 115.349 115.700 0.248 0.000 2.593 149 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 149 S C 0.436 175.184 174.600 0.248 0.000 0.966 149 S CA -0.394 57.928 58.200 0.203 0.000 0.914 149 S CB -0.442 62.844 63.200 0.143 0.000 0.776 149 S HN -0.044 nan 8.310 nan 0.000 0.523 150 F N 4.146 124.150 119.950 0.091 0.000 2.541 150 F HA 0.414 4.941 4.527 -0.000 0.000 0.347 150 F C 1.186 177.021 175.800 0.058 0.000 1.242 150 F CA -0.912 57.140 58.000 0.086 0.000 1.123 150 F CB 0.009 39.080 39.000 0.119 0.000 1.354 150 F HN -0.044 nan 8.300 nan 0.000 0.621 151 R N 1.349 121.926 120.500 0.129 0.000 2.574 151 R HA 0.308 4.648 4.340 -0.000 0.000 0.266 151 R C -0.449 175.897 176.300 0.077 0.000 1.157 151 R CA -1.249 54.903 56.100 0.088 0.000 1.187 151 R CB 0.610 30.934 30.300 0.041 0.000 1.179 151 R HN 0.380 nan 8.270 nan 0.000 0.600 152 L N 1.130 122.388 121.223 0.058 0.000 2.477 152 L HA 0.148 4.488 4.340 -0.000 0.000 0.272 152 L C 1.164 178.052 176.870 0.030 0.000 1.157 152 L CA 1.744 56.614 54.840 0.050 0.000 0.889 152 L CB 0.139 42.221 42.059 0.039 0.000 1.158 152 L HN 0.936 nan 8.230 nan 0.000 0.473 153 G N 3.291 112.110 108.800 0.032 0.000 2.205 153 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.261 153 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.261 153 G C 0.645 175.536 174.900 -0.015 0.000 0.980 153 G CA 0.445 45.553 45.100 0.013 0.000 0.632 153 G HN 0.631 nan 8.290 nan 0.000 0.533 154 R N -1.140 119.338 120.500 -0.036 0.000 3.029 154 R HA 0.790 5.130 4.340 -0.000 0.000 0.239 154 R C 1.154 177.303 176.300 -0.251 0.000 1.351 154 R CA 0.190 56.226 56.100 -0.107 0.000 1.052 154 R CB 0.884 31.133 30.300 -0.086 0.000 1.354 154 R HN 1.129 nan 8.270 nan 0.000 0.499 155 G N -0.503 108.045 108.800 -0.420 0.000 2.909 155 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.198 155 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.198 155 G C 0.235 174.618 174.900 -0.862 0.000 1.124 155 G CA -0.305 44.180 45.100 -1.025 0.000 0.796 155 G HN 0.340 nan 8.290 nan 0.000 0.489 156 L N 1.658 122.605 121.223 -0.459 0.000 2.848 156 L HA 0.348 4.688 4.340 -0.000 0.000 0.240 156 L C 1.807 178.602 176.870 -0.125 0.000 1.232 156 L CA -0.057 54.659 54.840 -0.206 0.000 1.031 156 L CB 0.554 42.577 42.059 -0.060 0.000 1.338 156 L HN 0.208 nan 8.230 nan 0.000 0.509 157 E N 0.275 120.394 120.200 -0.136 0.000 2.085 157 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 157 E C 1.287 177.845 176.600 -0.070 0.000 0.994 157 E CA 1.100 57.447 56.400 -0.088 0.000 0.801 157 E CB -0.101 29.550 29.700 -0.081 0.000 0.743 157 E HN 0.308 nan 8.360 nan 0.000 0.453 158 N N 0.155 118.812 118.700 -0.071 0.000 2.501 158 N HA 0.006 4.746 4.740 -0.000 0.000 0.195 158 N C -0.354 175.116 175.510 -0.066 0.000 1.213 158 N CA 0.208 53.222 53.050 -0.059 0.000 0.864 158 N CB 0.310 38.767 38.487 -0.050 0.000 0.999 158 N HN -0.036 nan 8.380 nan 0.000 0.454 159 S N 0.184 115.847 115.700 -0.062 0.000 2.549 159 S HA 0.437 4.907 4.470 -0.000 0.000 0.297 159 S C -0.371 174.191 174.600 -0.064 0.000 1.115 159 S CA -0.735 57.427 58.200 -0.063 0.000 1.059 159 S CB 0.972 64.154 63.200 -0.031 0.000 1.046 159 S HN 0.065 nan 8.310 nan 0.000 0.506 160 L N 4.581 125.760 121.223 -0.074 0.000 2.426 160 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 160 L C -2.263 174.575 176.870 -0.053 0.000 1.169 160 L CA -1.378 53.424 54.840 -0.062 0.000 0.836 160 L CB 0.211 42.229 42.059 -0.068 0.000 1.112 160 L HN 0.502 nan 8.230 nan 0.000 0.465 161 P HA 0.030 nan 4.420 nan 0.000 0.268 161 P C 0.425 177.689 177.300 -0.060 0.000 1.204 161 P CA -0.400 62.669 63.100 -0.052 0.000 0.768 161 P CB 0.576 32.251 31.700 -0.042 0.000 0.842 162 L N 3.484 124.655 121.223 -0.087 0.000 2.043 162 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 162 L C 2.178 179.008 176.870 -0.067 0.000 1.075 162 L CA 1.980 56.760 54.840 -0.100 0.000 0.752 162 L CB -1.473 40.472 42.059 -0.190 0.000 0.891 162 L HN 0.544 nan 8.230 nan 0.000 0.432 163 E N -1.549 118.614 120.200 -0.062 0.000 2.150 163 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 163 E C 2.060 178.636 176.600 -0.040 0.000 0.985 163 E CA 1.271 57.641 56.400 -0.049 0.000 0.814 163 E CB -0.594 29.075 29.700 -0.051 0.000 0.752 163 E HN 0.290 nan 8.360 nan 0.000 0.466 164 V N 1.601 121.493 119.914 -0.037 0.000 2.343 164 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 164 V C 2.416 178.497 176.094 -0.023 0.000 1.051 164 V CA 1.613 63.896 62.300 -0.029 0.000 1.036 164 V CB -0.040 31.767 31.823 -0.028 0.000 0.654 164 V HN 0.367 nan 8.190 nan 0.000 0.451 165 V N 0.047 119.948 119.914 -0.021 0.000 2.667 165 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 165 V C 2.542 178.636 176.094 0.001 0.000 1.065 165 V CA 1.703 63.998 62.300 -0.007 0.000 1.083 165 V CB -0.493 31.330 31.823 0.000 0.000 0.692 165 V HN 0.485 nan 8.190 nan 0.000 0.468 166 R N 0.218 120.715 120.500 -0.005 0.000 2.090 166 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 166 R C 2.398 178.692 176.300 -0.009 0.000 1.110 166 R CA 1.271 57.372 56.100 0.001 0.000 0.973 166 R CB -0.871 29.424 30.300 -0.008 0.000 0.869 166 R HN 0.606 nan 8.270 nan 0.000 0.440 167 G N 1.370 110.159 108.800 -0.019 0.000 2.408 167 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 167 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 167 G C 0.745 175.634 174.900 -0.019 0.000 1.150 167 G CA 0.670 45.755 45.100 -0.024 0.000 0.776 167 G HN 0.416 nan 8.290 nan 0.000 0.542 171 I N 1.709 122.266 120.570 -0.023 0.000 2.315 171 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 171 I C 2.683 178.785 176.117 -0.026 0.000 1.117 171 I CA 1.518 62.801 61.300 -0.027 0.000 1.404 171 I CB -0.199 37.786 38.000 -0.026 0.000 1.071 171 I HN 0.120 nan 8.210 nan 0.000 0.419 172 R N 1.273 121.760 120.500 -0.020 0.000 2.080 172 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 172 R C 2.103 178.391 176.300 -0.021 0.000 1.137 172 R CA 1.929 58.019 56.100 -0.018 0.000 0.943 172 R CB -0.984 29.305 30.300 -0.018 0.000 0.846 172 R HN 0.119 nan 8.270 nan 0.000 0.431 173 V N 1.486 121.386 119.914 -0.023 0.000 2.332 173 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 173 V C 2.147 178.227 176.094 -0.024 0.000 1.055 173 V CA 2.217 64.504 62.300 -0.021 0.000 1.038 173 V CB -0.943 30.869 31.823 -0.018 0.000 0.651 173 V HN 0.518 nan 8.190 nan 0.000 0.450 174 N N 0.923 119.606 118.700 -0.029 0.000 2.036 174 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 174 N C 1.889 177.364 175.510 -0.059 0.000 1.037 174 N CA 2.112 55.138 53.050 -0.039 0.000 0.855 174 N CB -0.263 38.197 38.487 -0.045 0.000 1.033 174 N HN 0.564 nan 8.380 nan 0.000 0.423 175 S N -0.364 115.301 115.700 -0.058 0.000 2.447 175 S HA -0.009 4.461 4.470 -0.000 0.000 0.233 175 S C 1.950 176.526 174.600 -0.041 0.000 1.006 175 S CA 0.505 58.667 58.200 -0.063 0.000 0.957 175 S CB -0.339 62.837 63.200 -0.039 0.000 0.773 175 S HN 0.309 nan 8.310 nan 0.000 0.507 176 L N 2.024 123.231 121.223 -0.027 0.000 2.313 176 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 176 L C 2.539 179.393 176.870 -0.028 0.000 1.119 176 L CA 1.294 56.125 54.840 -0.015 0.000 0.809 176 L CB -0.810 41.244 42.059 -0.008 0.000 0.933 176 L HN 0.509 nan 8.230 nan 0.000 0.449 177 T N -3.466 111.066 114.554 -0.035 0.000 3.317 177 T HA 0.017 4.367 4.350 -0.000 0.000 0.250 177 T C 1.384 176.055 174.700 -0.048 0.000 1.106 177 T CA 0.042 62.124 62.100 -0.028 0.000 0.986 177 T CB -0.210 68.652 68.868 -0.010 0.000 1.010 177 T HN 0.278 nan 8.240 nan 0.000 0.560 178 R N 0.356 120.790 120.500 -0.111 0.000 2.432 178 R HA 0.390 4.730 4.340 -0.000 0.000 0.260 178 R C 1.345 177.421 176.300 -0.373 0.000 0.935 178 R CA 0.082 56.045 56.100 -0.228 0.000 1.080 178 R CB 0.270 30.369 30.300 -0.336 0.000 1.155 178 R HN 0.426 nan 8.270 nan 0.000 0.531 179 G N 1.455 110.150 108.800 -0.175 0.000 2.372 179 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.290 179 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.290 179 G C -0.041 174.818 174.900 -0.069 0.000 0.965 179 G CA 0.650 45.690 45.100 -0.100 0.000 1.263 179 G HN 0.657 nan 8.290 nan 0.000 0.498 180 H N -1.419 117.652 119.070 0.001 0.000 3.400 180 H HA 0.147 4.703 4.556 -0.000 0.000 0.251 180 H C 2.235 177.567 175.328 0.007 0.000 1.040 180 H CA 0.431 56.473 56.048 -0.009 0.000 1.175 180 H CB 0.825 30.578 29.762 -0.015 0.000 1.487 180 H HN 0.458 nan 8.280 nan 0.000 0.505 181 S N 0.266 116.048 115.700 0.136 0.000 2.499 181 S HA 0.308 4.778 4.470 -0.000 0.000 0.225 181 S C 1.148 175.799 174.600 0.085 0.000 1.050 181 S CA 0.401 58.659 58.200 0.097 0.000 0.928 181 S CB 1.054 64.297 63.200 0.073 0.000 0.803 181 S HN 0.491 nan 8.310 nan 0.000 0.506 182 A N 0.775 123.641 122.820 0.076 0.000 3.044 182 A HA -0.068 4.252 4.320 -0.000 0.000 0.278 182 A C -0.167 177.451 177.584 0.058 0.000 1.407 182 A CA 0.026 52.110 52.037 0.078 0.000 0.743 182 A CB -2.132 16.934 19.000 0.111 0.000 1.040 182 A HN 0.374 nan 8.150 nan 0.000 0.491 183 V N 2.013 121.952 119.914 0.041 0.000 2.378 183 V HA 0.376 4.496 4.120 -0.000 0.000 0.288 183 V C 1.065 177.172 176.094 0.022 0.000 1.016 183 V CA -0.681 61.636 62.300 0.028 0.000 0.840 183 V CB 1.492 33.327 31.823 0.019 0.000 0.994 183 V HN 0.679 nan 8.190 nan 0.000 0.431 184 R N 2.363 122.876 120.500 0.021 0.000 2.678 184 R HA -0.033 4.307 4.340 -0.000 0.000 0.264 184 R C 1.249 177.557 176.300 0.013 0.000 0.995 184 R CA -0.277 55.834 56.100 0.019 0.000 1.098 184 R CB 0.252 30.564 30.300 0.019 0.000 0.949 184 R HN 0.624 nan 8.270 nan 0.000 0.422 185 L N 4.475 125.706 121.223 0.014 0.000 2.127 185 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 185 L C 1.922 178.799 176.870 0.013 0.000 1.089 185 L CA 1.527 56.374 54.840 0.012 0.000 0.757 185 L CB -0.317 41.750 42.059 0.013 0.000 0.899 185 L HN 0.596 nan 8.230 nan 0.000 0.434 186 V N -1.396 118.527 119.914 0.015 0.000 2.867 186 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 186 V C 2.206 178.307 176.094 0.012 0.000 1.099 186 V CA 1.533 63.844 62.300 0.019 0.000 1.122 186 V CB -0.038 31.798 31.823 0.021 0.000 0.708 186 V HN 0.357 nan 8.190 nan 0.000 0.490 187 V N -0.588 119.327 119.914 0.002 0.000 2.446 187 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 187 V C 2.267 178.346 176.094 -0.025 0.000 1.039 187 V CA 1.385 63.676 62.300 -0.015 0.000 1.045 187 V CB -0.316 31.498 31.823 -0.016 0.000 0.681 187 V HN 0.453 nan 8.190 nan 0.000 0.459 188 L N 0.209 121.425 121.223 -0.013 0.000 2.083 188 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 188 L C 2.369 179.236 176.870 -0.006 0.000 1.083 188 L CA 1.841 56.672 54.840 -0.014 0.000 0.752 188 L CB -0.897 41.158 42.059 -0.006 0.000 0.899 188 L HN 0.368 nan 8.230 nan 0.000 0.433 189 E N -0.611 119.595 120.200 0.009 0.000 2.204 189 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 189 E C 2.298 178.927 176.600 0.047 0.000 0.989 189 E CA 0.853 57.270 56.400 0.030 0.000 0.824 189 E CB -0.201 29.521 29.700 0.037 0.000 0.756 189 E HN 0.524 nan 8.360 nan 0.000 0.477 190 A N 0.995 123.827 122.820 0.021 0.000 1.898 190 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 190 A C 2.135 179.699 177.584 -0.032 0.000 1.181 190 A CA 1.006 53.053 52.037 0.017 0.000 0.620 190 A CB -0.477 18.488 19.000 -0.059 0.000 0.819 190 A HN 0.124 nan 8.150 nan 0.000 0.442 191 L N -0.187 120.982 121.223 -0.091 0.000 2.072 191 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 191 L C 2.975 179.864 176.870 0.032 0.000 1.079 191 L CA 1.768 56.547 54.840 -0.103 0.000 0.752 191 L CB -0.875 41.126 42.059 -0.096 0.000 0.906 191 L HN 0.612 nan 8.230 nan 0.000 0.436 192 T N -3.593 110.982 114.554 0.034 0.000 2.915 192 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 192 T C 1.726 176.466 174.700 0.067 0.000 1.071 192 T CA 1.035 63.158 62.100 0.039 0.000 1.132 192 T CB -0.347 68.531 68.868 0.017 0.000 0.878 192 T HN 0.206 nan 8.240 nan 0.000 0.479 193 N N 0.899 119.684 118.700 0.141 0.000 2.106 193 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 193 N C 1.449 177.108 175.510 0.248 0.000 1.029 193 N CA 0.928 54.104 53.050 0.209 0.000 0.848 193 N CB -0.626 38.053 38.487 0.321 0.000 1.007 193 N HN 0.330 nan 8.380 nan 0.000 0.423 194 F N 1.721 121.682 119.950 0.017 0.000 2.091 194 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 194 F C 2.341 178.111 175.800 -0.051 0.000 1.103 194 F CA 0.743 58.730 58.000 -0.021 0.000 1.228 194 F CB -0.826 38.168 39.000 -0.010 0.000 0.984 194 F HN -0.015 nan 8.300 nan 0.000 0.477 195 L N -0.353 120.963 121.223 0.155 0.000 1.970 195 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 195 L C 2.209 179.056 176.870 -0.038 0.000 1.071 195 L CA 1.505 56.372 54.840 0.045 0.000 0.751 195 L CB -0.746 41.329 42.059 0.027 0.000 0.889 195 L HN 0.100 nan 8.230 nan 0.000 0.432 196 N N -1.177 117.464 118.700 -0.099 0.000 2.381 196 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 196 N C 1.433 176.729 175.510 -0.357 0.000 1.025 196 N CA 1.015 53.930 53.050 -0.226 0.000 0.888 196 N CB -0.250 38.063 38.487 -0.290 0.000 0.965 196 N HN 0.425 nan 8.380 nan 0.000 0.438 197 H N -0.871 118.107 119.070 -0.153 0.000 2.549 197 H HA 0.248 4.804 4.556 -0.000 0.000 0.279 197 H C 0.940 176.025 175.328 -0.404 0.000 1.018 197 H CA 0.456 56.304 56.048 -0.333 0.000 1.175 197 H CB 0.306 29.693 29.762 -0.626 0.000 1.485 197 H HN 0.194 nan 8.280 nan 0.000 0.543 198 G N 1.740 110.455 108.800 -0.143 0.000 2.176 198 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 198 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 198 G C 0.137 174.966 174.900 -0.119 0.000 1.024 198 G CA 0.068 45.116 45.100 -0.088 0.000 0.755 198 G HN 0.363 nan 8.290 nan 0.000 0.507 199 I N 1.537 121.976 120.570 -0.218 0.000 2.304 199 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 199 I C 0.101 176.219 176.117 0.002 0.000 1.018 199 I CA -0.214 60.928 61.300 -0.263 0.000 1.260 199 I CB 1.465 38.989 38.000 -0.792 0.000 1.390 199 I HN 0.029 nan 8.210 nan 0.000 0.475 200 T N 7.070 121.682 114.554 0.097 0.000 2.815 200 T HA 0.339 4.689 4.350 -0.000 0.000 0.289 200 T C -2.476 172.324 174.700 0.166 0.000 1.000 200 T CA -1.494 60.693 62.100 0.146 0.000 0.958 200 T CB 1.554 70.467 68.868 0.075 0.000 0.944 200 T HN 0.214 nan 8.240 nan 0.000 0.442 201 P HA 0.148 nan 4.420 nan 0.000 0.266 201 P C -0.447 176.922 177.300 0.115 0.000 1.193 201 P CA -0.182 63.027 63.100 0.182 0.000 0.770 201 P CB 0.473 32.282 31.700 0.182 0.000 0.836 202 I N 2.848 123.484 120.570 0.111 0.000 2.291 202 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 202 I C 0.286 176.386 176.117 -0.028 0.000 1.050 202 I CA -0.513 60.822 61.300 0.058 0.000 1.245 202 I CB 0.923 38.979 38.000 0.094 0.000 1.405 202 I HN 0.099 nan 8.210 nan 0.000 0.478 203 V N 8.676 128.521 119.914 -0.116 0.000 2.769 203 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 203 V C -2.464 173.413 176.094 -0.362 0.000 1.058 203 V CA -2.365 59.726 62.300 -0.348 0.000 0.952 203 V CB 2.372 34.072 31.823 -0.205 0.000 1.019 203 V HN 0.412 nan 8.190 nan 0.000 0.445 204 P HA 0.119 nan 4.420 nan 0.000 0.268 204 P C 0.427 177.616 177.300 -0.185 0.000 1.204 204 P CA 0.033 62.941 63.100 -0.318 0.000 0.768 204 P CB 0.742 32.239 31.700 -0.338 0.000 0.842 205 L N 3.696 124.848 121.223 -0.119 0.000 2.093 205 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 205 L C 0.722 177.555 176.870 -0.062 0.000 1.085 205 L CA 1.853 56.646 54.840 -0.079 0.000 0.755 205 L CB -0.163 41.859 42.059 -0.061 0.000 0.904 205 L HN 0.303 nan 8.230 nan 0.000 0.435 206 R N -2.388 118.076 120.500 -0.059 0.000 2.854 206 R HA 0.610 4.950 4.340 -0.000 0.000 0.271 206 R C 0.214 176.497 176.300 -0.029 0.000 0.994 206 R CA -0.109 55.969 56.100 -0.036 0.000 0.945 206 R CB 1.482 31.766 30.300 -0.026 0.000 1.194 206 R HN 0.034 nan 8.270 nan 0.000 0.476 207 G N 0.044 108.837 108.800 -0.011 0.000 2.672 207 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.197 207 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.197 207 G C -0.090 174.816 174.900 0.009 0.000 0.995 207 G CA -0.023 45.079 45.100 0.004 0.000 0.754 207 G HN 0.586 nan 8.290 nan 0.000 0.505 208 T N 0.810 115.367 114.554 0.005 0.000 2.859 208 T HA 0.617 4.967 4.350 -0.000 0.000 0.281 208 T C 1.318 176.026 174.700 0.013 0.000 1.005 208 T CA -0.206 61.900 62.100 0.009 0.000 1.025 208 T CB 0.934 69.807 68.868 0.008 0.000 0.977 208 T HN 0.832 nan 8.240 nan 0.000 0.458 209 I N 1.142 121.722 120.570 0.018 0.000 3.927 209 I HA 0.416 4.586 4.170 -0.000 0.000 0.332 209 I C 0.509 176.647 176.117 0.035 0.000 1.485 209 I CA -0.742 60.573 61.300 0.025 0.000 1.131 209 I CB -0.453 37.563 38.000 0.027 0.000 1.092 209 I HN 0.545 nan 8.210 nan 0.000 0.410 215 L N 0.214 121.428 121.223 -0.016 0.000 1.991 215 L HA -0.206 4.134 4.340 -0.000 0.000 0.221 215 L C 2.491 179.349 176.870 -0.020 0.000 1.079 215 L CA 1.764 56.584 54.840 -0.032 0.000 0.778 215 L CB -1.899 40.124 42.059 -0.059 0.000 0.893 215 L HN 0.176 nan 8.230 nan 0.000 0.437 216 S N 0.244 115.944 115.700 0.000 0.000 2.378 216 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 216 S C -0.098 174.600 174.600 0.163 0.000 1.037 216 S CA 2.008 60.244 58.200 0.060 0.000 1.069 216 S CB -1.036 62.208 63.200 0.073 0.000 1.006 216 S HN 0.321 nan 8.310 nan 0.000 0.423 217 P HA -0.107 nan 4.420 nan 0.000 0.215 217 P C 1.590 178.961 177.300 0.118 0.000 1.153 217 P CA 1.178 64.338 63.100 0.100 0.000 0.853 217 P CB -0.280 31.427 31.700 0.012 0.000 0.788 218 L N 0.376 121.635 121.223 0.059 0.000 2.127 218 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 218 L C 2.868 179.751 176.870 0.021 0.000 1.089 218 L CA 2.116 56.974 54.840 0.031 0.000 0.757 218 L CB -1.038 41.026 42.059 0.008 0.000 0.899 218 L HN 0.159 nan 8.230 nan 0.000 0.434 219 S N -1.518 114.188 115.700 0.009 0.000 2.453 219 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 219 S C 1.851 176.390 174.600 -0.102 0.000 1.005 219 S CA 0.525 58.680 58.200 -0.075 0.000 0.949 219 S CB -0.540 62.565 63.200 -0.158 0.000 0.774 219 S HN 0.387 nan 8.310 nan 0.000 0.510 220 Y N 1.373 121.633 120.300 -0.066 0.000 2.373 220 Y HA 0.237 4.787 4.550 -0.000 0.000 0.293 220 Y C 2.105 177.985 175.900 -0.033 0.000 1.129 220 Y CA 0.704 58.771 58.100 -0.055 0.000 1.226 220 Y CB -0.267 38.169 38.460 -0.039 0.000 1.000 220 Y HN 0.280 nan 8.280 nan 0.000 0.549 221 I N -1.118 119.510 120.570 0.098 0.000 2.333 221 I HA -0.241 3.929 4.170 -0.000 0.000 0.246 221 I C 2.502 178.588 176.117 -0.052 0.000 1.106 221 I CA 0.971 62.284 61.300 0.022 0.000 1.411 221 I CB -0.430 37.567 38.000 -0.005 0.000 1.082 221 I HN 0.150 nan 8.210 nan 0.000 0.420 222 A N 0.743 123.533 122.820 -0.050 0.000 1.933 222 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 222 A C 2.492 180.048 177.584 -0.046 0.000 1.175 222 A CA 1.800 53.797 52.037 -0.066 0.000 0.628 222 A CB -0.706 18.262 19.000 -0.053 0.000 0.814 222 A HN 0.429 nan 8.150 nan 0.000 0.444 223 A N -0.233 122.560 122.820 -0.044 0.000 1.930 223 A HA 0.227 4.547 4.320 -0.000 0.000 0.217 223 A C 2.471 180.100 177.584 0.075 0.000 1.175 223 A CA 1.845 53.883 52.037 0.002 0.000 0.627 223 A CB -0.891 18.023 19.000 -0.144 0.000 0.815 223 A HN 0.970 nan 8.150 nan 0.000 0.443 224 A N 0.854 123.714 122.820 0.067 0.000 1.877 224 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 224 A C 2.069 179.738 177.584 0.143 0.000 1.186 224 A CA 1.534 53.668 52.037 0.161 0.000 0.620 224 A CB -0.807 18.326 19.000 0.222 0.000 0.822 224 A HN 0.987 nan 8.150 nan 0.000 0.443 225 I N -1.599 118.880 120.570 -0.151 0.000 3.291 225 I HA -0.019 4.151 4.170 -0.000 0.000 0.279 225 I C 1.639 177.746 176.117 -0.016 0.000 1.294 225 I CA 1.468 62.612 61.300 -0.260 0.000 1.428 225 I CB -0.123 37.553 38.000 -0.541 0.000 1.070 225 I HN 0.281 nan 8.210 nan 0.000 0.478 226 S N 0.301 116.016 115.700 0.025 0.000 2.540 226 S HA 0.384 4.854 4.470 -0.000 0.000 0.218 226 S C 1.535 176.188 174.600 0.088 0.000 0.977 226 S CA 0.164 58.392 58.200 0.048 0.000 0.918 226 S CB 0.060 63.282 63.200 0.036 0.000 0.806 226 S HN 0.773 nan 8.310 nan 0.000 0.496 227 G N 2.193 111.074 108.800 0.136 0.000 2.246 227 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 227 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 227 G C -0.052 174.935 174.900 0.144 0.000 1.055 227 G CA 0.233 45.422 45.100 0.148 0.000 0.851 227 G HN 0.787 nan 8.290 nan 0.000 0.500 228 H N 0.684 119.797 119.070 0.072 0.000 3.001 228 H HA 0.080 4.636 4.556 -0.000 0.000 0.334 228 H C -0.656 174.730 175.328 0.096 0.000 1.034 228 H CA -0.205 55.876 56.048 0.056 0.000 1.420 228 H CB 0.922 30.699 29.762 0.025 0.000 1.405 228 H HN 0.117 nan 8.280 nan 0.000 0.593 229 P HA -0.152 nan 4.420 nan 0.000 0.216 229 P C 1.099 178.602 177.300 0.338 0.000 1.150 229 P CA 1.431 64.587 63.100 0.093 0.000 0.843 229 P CB 0.322 31.981 31.700 -0.068 0.000 0.787 230 D N -1.333 119.380 120.400 0.522 0.000 2.301 230 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 230 D C 0.476 176.950 176.300 0.290 0.000 0.979 230 D CA 0.244 54.491 54.000 0.412 0.000 0.874 230 D CB -0.140 40.828 40.800 0.280 0.000 0.968 230 D HN -0.037 nan 8.370 nan 0.000 0.510 231 S N 0.504 116.366 115.700 0.271 0.000 2.593 231 S HA -0.013 4.457 4.470 -0.000 0.000 0.300 231 S C 0.009 174.693 174.600 0.139 0.000 1.267 231 S CA 0.331 58.634 58.200 0.171 0.000 1.065 231 S CB 0.231 63.539 63.200 0.181 0.000 0.807 231 S HN 0.057 nan 8.310 nan 0.000 0.499 232 K N 2.531 122.980 120.400 0.082 0.000 2.328 232 K HA 0.719 5.039 4.320 -0.000 0.000 0.246 232 K C -0.645 176.010 176.600 0.092 0.000 0.955 232 K CA -0.957 55.337 56.287 0.010 0.000 0.817 232 K CB 2.004 34.468 32.500 -0.060 0.000 1.208 232 K HN 0.550 nan 8.250 nan 0.000 0.432 233 V N -2.086 117.873 119.914 0.075 0.000 3.160 233 V HA 0.517 4.637 4.120 -0.000 0.000 0.310 233 V C -1.092 175.053 176.094 0.085 0.000 1.181 233 V CA -0.834 61.528 62.300 0.104 0.000 1.047 233 V CB 1.961 33.839 31.823 0.093 0.000 1.068 233 V HN 0.879 nan 8.190 nan 0.000 0.441 234 H N 0.806 119.878 119.070 0.004 0.000 2.469 234 H HA 0.877 5.433 4.556 -0.000 0.000 0.342 234 H C -1.595 173.714 175.328 -0.032 0.000 1.115 234 H CA -0.318 55.722 56.048 -0.013 0.000 1.204 234 H CB 1.885 31.649 29.762 0.004 0.000 1.492 234 H HN 0.858 nan 8.280 nan 0.000 0.499 235 V N 5.224 124.869 119.914 -0.449 0.000 3.098 235 V HA 0.255 4.375 4.120 -0.000 0.000 0.294 235 V C -1.454 174.490 176.094 -0.250 0.000 1.351 235 V CA -0.691 61.482 62.300 -0.210 0.000 0.999 235 V CB 2.387 34.155 31.823 -0.091 0.000 1.104 235 V HN 0.567 nan 8.190 nan 0.000 0.438 236 V N 5.385 125.275 119.914 -0.039 0.000 2.364 236 V HA 0.419 4.539 4.120 -0.000 0.000 0.272 236 V C 0.001 176.192 176.094 0.161 0.000 1.036 236 V CA -0.320 61.998 62.300 0.030 0.000 0.880 236 V CB 0.968 32.836 31.823 0.074 0.000 0.991 236 V HN 0.898 nan 8.190 nan 0.000 0.460 237 H N 5.658 124.728 119.070 -0.001 0.000 2.661 237 H HA 0.216 4.772 4.556 -0.000 0.000 0.290 237 H C -0.230 175.090 175.328 -0.014 0.000 1.082 237 H CA -0.675 55.376 56.048 0.004 0.000 1.234 237 H CB 0.475 30.217 29.762 -0.034 0.000 1.387 237 H HN 0.753 nan 8.280 nan 0.000 0.476 238 E N 3.193 123.380 120.200 -0.020 0.000 2.246 238 E HA -0.185 4.165 4.350 -0.000 0.000 0.173 238 E C 0.529 177.084 176.600 -0.075 0.000 1.532 238 E CA 1.195 57.532 56.400 -0.105 0.000 0.672 238 E CB -1.631 27.913 29.700 -0.261 0.000 1.078 238 E HN 1.135 nan 8.360 nan 0.000 0.338 239 G N 0.862 109.653 108.800 -0.015 0.000 2.892 239 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.686 239 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.686 239 G C -0.353 174.537 174.900 -0.017 0.000 1.244 239 G CA 1.060 46.154 45.100 -0.011 0.000 0.947 239 G HN 0.920 nan 8.290 nan 0.000 0.584 240 K N -0.197 120.201 120.400 -0.004 0.000 4.846 240 K HA -0.027 4.293 4.320 -0.000 0.000 0.925 240 K C 0.391 176.979 176.600 -0.019 0.000 1.867 240 K CA 1.298 57.577 56.287 -0.013 0.000 1.424 240 K CB -0.872 31.612 32.500 -0.027 0.000 2.897 240 K HN 1.582 nan 8.250 nan 0.000 0.179 241 E N 4.084 124.262 120.200 -0.035 0.000 2.313 241 E HA 0.521 4.871 4.350 -0.000 0.000 0.272 241 E C -0.639 175.852 176.600 -0.181 0.000 1.038 241 E CA -0.679 55.648 56.400 -0.121 0.000 0.863 241 E CB 1.437 31.101 29.700 -0.060 0.000 1.060 241 E HN 0.477 nan 8.360 nan 0.000 0.402 242 K N 1.602 121.831 120.400 -0.285 0.000 2.480 242 K HA 0.498 4.818 4.320 -0.000 0.000 0.258 242 K C -0.953 175.462 176.600 -0.308 0.000 0.990 242 K CA -0.951 55.182 56.287 -0.257 0.000 0.857 242 K CB 1.678 34.090 32.500 -0.148 0.000 1.384 242 K HN 0.394 nan 8.250 nan 0.000 0.446 243 I N 3.353 123.741 120.570 -0.305 0.000 2.420 243 I HA 0.349 4.519 4.170 -0.000 0.000 0.282 243 I C -0.597 175.439 176.117 -0.135 0.000 1.019 243 I CA -0.365 60.801 61.300 -0.224 0.000 1.130 243 I CB 0.467 38.278 38.000 -0.316 0.000 1.262 243 I HN 0.474 nan 8.210 nan 0.000 0.454 244 L N 4.987 126.169 121.223 -0.067 0.000 2.286 244 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 244 L C -0.413 176.464 176.870 0.013 0.000 1.012 244 L CA -1.129 53.715 54.840 0.007 0.000 0.818 244 L CB 1.181 43.251 42.059 0.017 0.000 1.337 244 L HN 0.230 nan 8.230 nan 0.000 0.438 245 Y N -0.176 120.165 120.300 0.068 0.000 2.357 245 Y HA 0.113 4.663 4.550 -0.000 0.000 0.340 245 Y C 1.274 177.222 175.900 0.081 0.000 1.260 245 Y CA 0.726 58.879 58.100 0.088 0.000 1.425 245 Y CB 0.986 39.492 38.460 0.077 0.000 1.326 245 Y HN 0.688 nan 8.280 nan 0.000 0.580 246 A N 2.551 125.527 122.820 0.261 0.000 1.873 246 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 246 A C 2.349 180.042 177.584 0.182 0.000 1.193 246 A CA 1.754 53.923 52.037 0.219 0.000 0.629 246 A CB -0.433 18.724 19.000 0.262 0.000 0.826 246 A HN 0.794 nan 8.150 nan 0.000 0.447 247 R N -0.186 120.425 120.500 0.185 0.000 2.122 247 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 247 R C 2.010 178.364 176.300 0.089 0.000 1.129 247 R CA 1.948 58.120 56.100 0.120 0.000 0.925 247 R CB -1.164 29.186 30.300 0.083 0.000 0.850 247 R HN 0.788 nan 8.270 nan 0.000 0.431 248 E N 0.716 120.978 120.200 0.104 0.000 2.086 248 E HA -0.171 4.179 4.350 -0.000 0.000 0.205 248 E C 1.167 177.782 176.600 0.025 0.000 1.027 248 E CA 1.280 57.717 56.400 0.060 0.000 0.830 248 E CB -0.291 29.468 29.700 0.099 0.000 0.751 248 E HN 0.390 nan 8.360 nan 0.000 0.456 252 L N 0.052 121.184 121.223 -0.151 0.000 2.151 252 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 252 L C 1.517 178.012 176.870 -0.624 0.000 1.084 252 L CA 2.221 56.810 54.840 -0.419 0.000 0.764 252 L CB -0.709 40.957 42.059 -0.655 0.000 0.891 252 L HN 0.550 nan 8.230 nan 0.000 0.435 253 F N -1.213 118.621 119.950 -0.194 0.000 2.654 253 F HA 0.274 4.801 4.527 -0.000 0.000 0.303 253 F C 0.710 176.377 175.800 -0.222 0.000 1.099 253 F CA -0.716 57.123 58.000 -0.269 0.000 1.270 253 F CB -0.358 38.350 39.000 -0.487 0.000 1.024 253 F HN 0.002 nan 8.300 nan 0.000 0.548 254 N N 1.571 120.257 118.700 -0.024 0.000 2.738 254 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 254 N C -0.792 174.731 175.510 0.022 0.000 1.047 254 N CA 0.521 53.567 53.050 -0.007 0.000 0.707 254 N CB -1.534 36.947 38.487 -0.011 0.000 0.937 254 N HN 0.345 nan 8.380 nan 0.000 0.545 255 L N -0.057 121.190 121.223 0.041 0.000 2.331 255 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 255 L C 0.606 177.525 176.870 0.083 0.000 1.022 255 L CA -0.734 54.148 54.840 0.072 0.000 0.812 255 L CB 1.715 43.825 42.059 0.086 0.000 1.257 255 L HN -0.025 nan 8.230 nan 0.000 0.435 256 E N 4.083 124.338 120.200 0.092 0.000 2.133 256 E HA 0.346 4.696 4.350 -0.000 0.000 0.274 256 E C -2.325 174.334 176.600 0.098 0.000 0.930 256 E CA -1.860 54.588 56.400 0.080 0.000 0.770 256 E CB 1.098 30.834 29.700 0.059 0.000 1.104 256 E HN 0.171 nan 8.360 nan 0.000 0.403 257 P HA 0.004 nan 4.420 nan 0.000 0.267 257 P C -0.378 176.959 177.300 0.062 0.000 1.205 257 P CA -0.164 62.995 63.100 0.098 0.000 0.765 257 P CB 0.673 32.427 31.700 0.091 0.000 0.828 258 V N 3.485 123.427 119.914 0.048 0.000 3.185 258 V HA 0.105 4.225 4.120 -0.000 0.000 0.305 258 V C 0.682 176.789 176.094 0.021 0.000 1.090 258 V CA -0.210 62.106 62.300 0.026 0.000 1.107 258 V CB 1.351 33.177 31.823 0.005 0.000 1.061 258 V HN 0.315 nan 8.190 nan 0.000 0.480 259 V N 4.154 124.077 119.914 0.016 0.000 2.340 259 V HA 0.258 4.378 4.120 -0.000 0.000 0.277 259 V C -0.335 175.765 176.094 0.010 0.000 1.017 259 V CA -0.724 61.584 62.300 0.013 0.000 0.820 259 V CB 1.242 33.073 31.823 0.012 0.000 1.028 259 V HN 0.528 nan 8.190 nan 0.000 0.436 260 L N 4.411 125.639 121.223 0.009 0.000 2.628 260 L HA 0.221 4.561 4.340 -0.000 0.000 0.274 260 L C 1.222 178.099 176.870 0.011 0.000 1.209 260 L CA 1.151 55.996 54.840 0.009 0.000 0.930 260 L CB -0.437 41.626 42.059 0.008 0.000 1.183 260 L HN 0.708 nan 8.230 nan 0.000 0.492 261 G N 5.552 114.360 108.800 0.012 0.000 2.509 261 G HA2 0.487 4.447 3.960 -0.000 0.000 0.269 261 G HA3 0.487 4.447 3.960 -0.000 0.000 0.269 261 G C -2.465 172.444 174.900 0.016 0.000 1.416 261 G CA -0.792 44.316 45.100 0.013 0.000 1.052 261 G HN 0.555 nan 8.290 nan 0.000 0.542 262 P HA 0.079 nan 4.420 nan 0.000 0.267 262 P C 0.120 177.436 177.300 0.027 0.000 1.205 262 P CA 0.153 63.264 63.100 0.019 0.000 0.765 262 P CB 1.523 33.231 31.700 0.014 0.000 0.828 263 K N 1.671 122.090 120.400 0.031 0.000 3.548 263 K HA -0.228 4.092 4.320 -0.000 0.000 0.310 263 K C 1.157 177.780 176.600 0.038 0.000 1.282 263 K CA 1.634 57.946 56.287 0.041 0.000 1.008 263 K CB -1.339 31.193 32.500 0.053 0.000 1.265 263 K HN 0.590 nan 8.250 nan 0.000 0.430 264 E N -1.003 119.215 120.200 0.030 0.000 2.072 264 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 264 E C 1.881 178.492 176.600 0.017 0.000 0.985 264 E CA 1.181 57.595 56.400 0.024 0.000 0.801 264 E CB -0.177 29.533 29.700 0.017 0.000 0.750 264 E HN 0.535 nan 8.360 nan 0.000 0.452 265 G N 1.478 110.288 108.800 0.015 0.000 2.421 265 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 265 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 265 G C 1.564 176.471 174.900 0.012 0.000 1.171 265 G CA 0.428 45.533 45.100 0.008 0.000 0.775 265 G HN 0.208 nan 8.290 nan 0.000 0.543 266 L N 0.670 121.907 121.223 0.024 0.000 2.083 266 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 266 L C 2.843 179.734 176.870 0.034 0.000 1.083 266 L CA 1.664 56.522 54.840 0.030 0.000 0.752 266 L CB -0.411 41.674 42.059 0.042 0.000 0.899 266 L HN 0.280 nan 8.230 nan 0.000 0.433 267 G N -0.450 108.373 108.800 0.038 0.000 2.403 267 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 267 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 267 G C 1.451 176.368 174.900 0.029 0.000 1.154 267 G CA 0.682 45.808 45.100 0.044 0.000 0.784 267 G HN 0.315 nan 8.290 nan 0.000 0.538 268 L N 1.422 122.654 121.223 0.015 0.000 2.044 268 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 268 L C 2.686 179.554 176.870 -0.004 0.000 1.075 268 L CA 1.898 56.738 54.840 -0.000 0.000 0.747 268 L CB -0.272 41.779 42.059 -0.013 0.000 0.903 268 L HN 0.193 nan 8.230 nan 0.000 0.435 269 V N -2.489 117.421 119.914 -0.006 0.000 3.649 269 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 269 V C 0.753 176.845 176.094 -0.004 0.000 1.281 269 V CA -0.128 62.164 62.300 -0.013 0.000 1.143 269 V CB -1.290 30.513 31.823 -0.034 0.000 0.892 269 V HN 0.450 nan 8.190 nan 0.000 0.441 270 N N 0.893 119.601 118.700 0.013 0.000 2.524 270 N HA 0.623 5.363 4.740 -0.000 0.000 0.283 270 N C 0.145 175.687 175.510 0.054 0.000 1.142 270 N CA 1.400 54.467 53.050 0.028 0.000 0.984 270 N CB 1.407 39.925 38.487 0.052 0.000 1.155 270 N HN 0.772 nan 8.380 nan 0.000 0.467 271 G N -0.094 108.757 108.800 0.085 0.000 2.384 271 G HA2 0.003 3.963 3.960 -0.000 0.000 0.668 271 G HA3 0.003 3.963 3.960 -0.000 0.000 0.668 271 G C -0.632 174.316 174.900 0.079 0.000 1.280 271 G CA -0.170 44.987 45.100 0.096 0.000 0.992 271 G HN 0.855 nan 8.290 nan 0.000 0.512 272 T N -3.209 111.382 114.554 0.062 0.000 3.584 272 T HA 0.684 5.034 4.350 -0.000 0.000 0.259 272 T C 1.387 176.099 174.700 0.021 0.000 1.009 272 T CA 0.937 63.065 62.100 0.045 0.000 1.103 272 T CB 0.763 69.664 68.868 0.055 0.000 1.099 272 T HN 2.003 nan 8.240 nan 0.000 0.539 273 A N 0.997 123.825 122.820 0.013 0.000 2.014 273 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 273 A C 2.148 179.731 177.584 -0.002 0.000 1.163 273 A CA 1.142 53.180 52.037 0.000 0.000 0.652 273 A CB -0.602 18.396 19.000 -0.003 0.000 0.808 273 A HN 0.512 nan 8.150 nan 0.000 0.449 274 V N -0.298 119.618 119.914 0.002 0.000 2.307 274 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 274 V C 2.693 178.785 176.094 -0.003 0.000 1.045 274 V CA 2.251 64.550 62.300 -0.002 0.000 1.024 274 V CB -1.011 30.812 31.823 0.000 0.000 0.651 274 V HN 0.508 nan 8.190 nan 0.000 0.449 275 S N 0.588 116.290 115.700 0.003 0.000 2.345 275 S HA -0.136 4.334 4.470 -0.000 0.000 0.220 275 S C 2.303 176.902 174.600 -0.003 0.000 1.031 275 S CA 1.436 59.638 58.200 0.003 0.000 0.996 275 S CB -0.632 62.575 63.200 0.011 0.000 0.882 275 S HN 0.637 nan 8.310 nan 0.000 0.445 276 A N 1.305 124.122 122.820 -0.005 0.000 1.948 276 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 276 A C 1.637 179.210 177.584 -0.017 0.000 1.177 276 A CA 1.511 53.540 52.037 -0.014 0.000 0.636 276 A CB -0.884 18.105 19.000 -0.018 0.000 0.815 276 A HN 0.468 nan 8.150 nan 0.000 0.449 280 T N 1.119 115.671 114.554 -0.003 0.000 2.746 280 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 280 T C 1.767 176.496 174.700 0.049 0.000 1.039 280 T CA 1.878 63.982 62.100 0.008 0.000 1.142 280 T CB -0.304 68.555 68.868 -0.015 0.000 0.866 280 T HN 0.176 nan 8.240 nan 0.000 0.444 281 L N 1.084 122.321 121.223 0.022 0.000 2.083 281 L HA 0.040 4.380 4.340 -0.000 0.000 0.209 281 L C 2.697 179.618 176.870 0.086 0.000 1.083 281 L CA 1.480 56.339 54.840 0.030 0.000 0.752 281 L CB -1.235 40.819 42.059 -0.008 0.000 0.899 281 L HN 0.247 nan 8.230 nan 0.000 0.433 282 A N -1.224 121.627 122.820 0.052 0.000 1.897 282 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 282 A C 2.193 179.799 177.584 0.036 0.000 1.181 282 A CA 1.411 53.473 52.037 0.041 0.000 0.620 282 A CB -0.765 18.245 19.000 0.015 0.000 0.821 282 A HN 0.329 nan 8.150 nan 0.000 0.443 283 L N -0.387 120.854 121.223 0.029 0.000 2.083 283 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 283 L C 2.252 179.140 176.870 0.030 0.000 1.083 283 L CA 2.827 57.650 54.840 -0.029 0.000 0.752 283 L CB -1.096 40.959 42.059 -0.007 0.000 0.899 283 L HN 0.654 nan 8.230 nan 0.000 0.433 284 H N -0.540 118.580 119.070 0.084 0.000 2.290 284 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 284 H C 1.713 177.107 175.328 0.111 0.000 1.087 284 H CA 2.434 58.575 56.048 0.155 0.000 1.291 284 H CB -0.108 29.708 29.762 0.089 0.000 1.369 284 H HN 0.394 nan 8.280 nan 0.000 0.492 285 D N -0.013 120.449 120.400 0.103 0.000 2.219 285 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 285 D C 2.170 178.460 176.300 -0.016 0.000 0.970 285 D CA 1.120 55.142 54.000 0.036 0.000 0.851 285 D CB -0.552 40.301 40.800 0.088 0.000 0.943 285 D HN 0.582 nan 8.370 nan 0.000 0.488 286 A N 0.825 123.623 122.820 -0.037 0.000 1.969 286 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 286 A C 1.235 178.771 177.584 -0.080 0.000 1.169 286 A CA 0.893 52.886 52.037 -0.073 0.000 0.635 286 A CB -0.451 18.475 19.000 -0.125 0.000 0.810 286 A HN 0.227 nan 8.150 nan 0.000 0.445 290 S N 0.026 115.750 115.700 0.040 0.000 2.399 290 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 290 S C 1.867 176.493 174.600 0.044 0.000 1.022 290 S CA 1.491 59.722 58.200 0.052 0.000 0.983 290 S CB -0.335 62.897 63.200 0.053 0.000 0.803 290 S HN 0.390 nan 8.310 nan 0.000 0.480 291 L N 0.035 121.274 121.223 0.027 0.000 2.109 291 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 291 L C 2.598 179.467 176.870 -0.001 0.000 1.086 291 L CA 0.806 55.649 54.840 0.005 0.000 0.760 291 L CB -0.548 41.502 42.059 -0.015 0.000 0.910 291 L HN 0.341 nan 8.230 nan 0.000 0.437 292 L N -0.467 120.758 121.223 0.004 0.000 2.046 292 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 292 L C 2.743 179.622 176.870 0.015 0.000 1.077 292 L CA 1.941 56.782 54.840 0.002 0.000 0.747 292 L CB -0.628 41.439 42.059 0.014 0.000 0.896 292 L HN 0.193 nan 8.230 nan 0.000 0.432 293 S N -0.916 114.811 115.700 0.045 0.000 2.365 293 S HA -0.301 4.168 4.470 -0.000 0.000 0.225 293 S C 1.956 176.589 174.600 0.055 0.000 1.039 293 S CA 1.897 60.142 58.200 0.076 0.000 1.033 293 S CB -0.317 62.946 63.200 0.105 0.000 0.887 293 S HN 0.724 nan 8.310 nan 0.000 0.447 294 Q N 0.106 119.926 119.800 0.033 0.000 2.224 294 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 294 Q C 2.446 178.426 176.000 -0.033 0.000 0.970 294 Q CA 1.506 57.313 55.803 0.007 0.000 0.865 294 Q CB -0.153 28.582 28.738 -0.005 0.000 0.922 294 Q HN 0.546 nan 8.270 nan 0.000 0.445 295 S N 0.839 116.519 115.700 -0.034 0.000 2.371 295 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 295 S C 1.904 176.463 174.600 -0.068 0.000 1.029 295 S CA 0.643 58.813 58.200 -0.050 0.000 0.978 295 S CB -0.063 63.112 63.200 -0.041 0.000 0.833 295 S HN 0.257 nan 8.310 nan 0.000 0.466 296 L N 1.157 122.328 121.223 -0.087 0.000 2.083 296 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 296 L C 2.657 179.469 176.870 -0.097 0.000 1.083 296 L CA 1.079 55.800 54.840 -0.197 0.000 0.752 296 L CB -0.955 40.894 42.059 -0.349 0.000 0.899 296 L HN 0.296 nan 8.230 nan 0.000 0.433 297 T N -0.029 114.521 114.554 -0.007 0.000 2.684 297 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 297 T C 1.143 175.836 174.700 -0.011 0.000 1.036 297 T CA 0.938 63.063 62.100 0.042 0.000 1.148 297 T CB -0.239 68.665 68.868 0.060 0.000 0.863 297 T HN 0.428 nan 8.240 nan 0.000 0.436 301 V N 2.323 122.250 119.914 0.022 0.000 2.380 301 V HA -0.201 3.919 4.120 -0.000 0.000 0.251 301 V C 2.318 178.417 176.094 0.009 0.000 1.063 301 V CA 2.325 64.653 62.300 0.046 0.000 1.055 301 V CB -0.469 31.419 31.823 0.109 0.000 0.657 301 V HN 0.538 nan 8.190 nan 0.000 0.455 302 E N -0.080 120.111 120.200 -0.016 0.000 2.072 302 E HA 0.055 4.405 4.350 -0.000 0.000 0.190 302 E C 1.378 177.810 176.600 -0.280 0.000 0.982 302 E CA 0.709 57.088 56.400 -0.035 0.000 0.803 302 E CB -0.137 29.570 29.700 0.012 0.000 0.755 302 E HN 0.649 nan 8.360 nan 0.000 0.453 306 G N -0.579 108.165 108.800 -0.094 0.000 2.543 306 G HA2 0.507 4.467 3.960 -0.000 0.000 0.290 306 G HA3 0.507 4.467 3.960 -0.000 0.000 0.290 306 G C -0.498 174.252 174.900 -0.249 0.000 1.310 306 G CA -0.426 44.538 45.100 -0.227 0.000 1.025 306 G HN 0.488 nan 8.290 nan 0.000 0.502 307 H N 0.171 119.281 119.070 0.066 0.000 2.640 307 H HA 0.386 4.942 4.556 -0.000 0.000 0.297 307 H C 0.886 176.262 175.328 0.080 0.000 1.073 307 H CA -0.067 56.004 56.048 0.039 0.000 1.305 307 H CB 1.270 31.038 29.762 0.011 0.000 1.404 307 H HN 0.505 nan 8.280 nan 0.000 0.459 308 A N 3.001 125.908 122.820 0.145 0.000 2.258 308 A HA 0.027 4.347 4.320 -0.000 0.000 0.206 308 A C 2.187 179.942 177.584 0.285 0.000 1.222 308 A CA 0.772 52.958 52.037 0.248 0.000 0.822 308 A CB -0.458 18.490 19.000 -0.086 0.000 0.804 308 A HN 0.785 nan 8.150 nan 0.000 0.483 309 G N -0.593 108.311 108.800 0.173 0.000 2.551 309 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.216 309 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.216 309 G C 1.526 176.460 174.900 0.056 0.000 1.137 309 G CA 0.904 46.086 45.100 0.136 0.000 0.798 309 G HN 0.557 nan 8.290 nan 0.000 0.536 310 S N 0.775 116.380 115.700 -0.158 0.000 2.469 310 S HA -0.022 4.448 4.470 -0.000 0.000 0.238 310 S C 1.035 175.424 174.600 -0.351 0.000 0.998 310 S CA 0.476 58.448 58.200 -0.381 0.000 0.957 310 S CB -0.337 62.461 63.200 -0.669 0.000 0.764 310 S HN 0.368 nan 8.310 nan 0.000 0.514 311 F N 0.954 121.069 119.950 0.275 0.000 2.750 311 F HA 0.324 4.851 4.527 0.000 0.000 0.297 311 F C 0.882 176.873 175.800 0.318 0.000 1.138 311 F CA -0.808 57.368 58.000 0.294 0.000 1.346 311 F CB -0.128 38.947 39.000 0.124 0.000 0.965 311 F HN 0.210 nan 8.300 nan 0.000 0.514 312 H N 2.684 121.951 119.070 0.328 0.000 2.646 312 H HA 0.160 4.716 4.556 -0.000 0.000 0.325 312 H C -1.852 173.665 175.328 0.314 0.000 1.075 312 H CA -2.026 54.183 56.048 0.267 0.000 1.421 312 H CB 1.861 31.728 29.762 0.176 0.000 1.461 312 H HN -0.027 nan 8.280 nan 0.000 0.525 313 P HA -0.234 nan 4.420 nan 0.000 0.218 313 P C 1.434 178.922 177.300 0.314 0.000 1.154 313 P CA 1.373 64.584 63.100 0.185 0.000 0.872 313 P CB -0.219 31.480 31.700 -0.001 0.000 0.790 314 F N -0.202 119.998 119.950 0.416 0.000 2.202 314 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 314 F C 1.716 177.550 175.800 0.057 0.000 1.082 314 F CA 1.345 59.476 58.000 0.219 0.000 1.313 314 F CB -0.610 38.492 39.000 0.170 0.000 1.024 314 F HN -0.203 nan 8.300 nan 0.000 0.495 315 L N -0.809 120.491 121.223 0.129 0.000 2.599 315 L HA -0.046 4.294 4.340 -0.000 0.000 0.230 315 L C 1.429 177.925 176.870 -0.623 0.000 1.141 315 L CA 0.226 54.909 54.840 -0.262 0.000 0.877 315 L CB -0.433 41.432 42.059 -0.324 0.000 1.009 315 L HN 0.305 nan 8.230 nan 0.000 0.447 316 H N -2.244 116.843 119.070 0.028 0.000 2.356 316 H HA 0.082 4.638 4.556 0.000 0.000 0.149 316 H C 1.095 176.410 175.328 -0.022 0.000 1.057 316 H CA 0.137 56.197 56.048 0.021 0.000 1.093 316 H CB -0.174 29.632 29.762 0.073 0.000 0.960 316 H HN 0.040 nan 8.280 nan 0.000 0.316 317 D N 1.349 121.837 120.400 0.147 0.000 2.190 317 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 317 D C 2.022 178.303 176.300 -0.031 0.000 0.992 317 D CA 1.238 55.271 54.000 0.055 0.000 0.854 317 D CB 0.144 40.983 40.800 0.065 0.000 0.936 317 D HN 0.101 nan 8.370 nan 0.000 0.462 318 V N -0.859 118.986 119.914 -0.115 0.000 2.521 318 V HA -0.046 4.074 4.120 -0.000 0.000 0.239 318 V C 2.272 178.181 176.094 -0.308 0.000 1.053 318 V CA 1.461 63.622 62.300 -0.232 0.000 1.073 318 V CB -0.353 31.236 31.823 -0.390 0.000 0.746 318 V HN 0.199 nan 8.190 nan 0.000 0.476 319 T N -0.554 113.754 114.554 -0.411 0.000 2.978 319 T HA 0.014 4.364 4.350 -0.000 0.000 0.262 319 T C 1.189 175.776 174.700 -0.189 0.000 1.063 319 T CA 0.615 62.514 62.100 -0.336 0.000 1.140 319 T CB 0.040 68.660 68.868 -0.413 0.000 0.886 319 T HN 0.298 nan 8.240 nan 0.000 0.470 320 R N 1.321 121.737 120.500 -0.139 0.000 2.655 320 R HA 0.267 4.606 4.340 -0.000 0.000 0.261 320 R C -2.493 173.761 176.300 -0.077 0.000 1.624 320 R CA -1.441 54.605 56.100 -0.089 0.000 1.655 320 R CB 1.234 31.541 30.300 0.011 0.000 1.356 320 R HN 0.153 nan 8.270 nan 0.000 0.684 321 P HA -0.137 nan 4.420 nan 0.000 0.316 321 P C -0.660 176.580 177.300 -0.101 0.000 1.508 321 P CA 0.441 63.480 63.100 -0.102 0.000 0.741 321 P CB -0.294 31.339 31.700 -0.112 0.000 1.593 322 H N 0.699 119.784 119.070 0.024 0.000 2.975 322 H HA 0.067 4.623 4.556 -0.000 0.000 0.303 322 H C -1.240 174.103 175.328 0.025 0.000 1.023 322 H CA -1.331 54.730 56.048 0.021 0.000 1.473 322 H CB 0.343 30.119 29.762 0.023 0.000 1.498 322 H HN 0.076 nan 8.280 nan 0.000 0.549 323 P HA -0.212 nan 4.420 nan 0.000 0.216 323 P C 1.593 178.935 177.300 0.070 0.000 1.167 323 P CA 2.579 65.725 63.100 0.076 0.000 0.914 323 P CB 0.124 31.861 31.700 0.061 0.000 0.793 324 T N -3.274 111.322 114.554 0.071 0.000 2.915 324 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 324 T C 1.942 176.670 174.700 0.045 0.000 1.071 324 T CA 0.964 63.092 62.100 0.045 0.000 1.132 324 T CB -0.835 68.052 68.868 0.031 0.000 0.878 324 T HN 0.189 nan 8.240 nan 0.000 0.479 325 Q N 0.659 120.507 119.800 0.080 0.000 2.079 325 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 325 Q C 2.303 178.316 176.000 0.022 0.000 0.974 325 Q CA 1.185 57.037 55.803 0.083 0.000 0.840 325 Q CB -0.308 28.540 28.738 0.183 0.000 0.898 325 Q HN 0.612 nan 8.270 nan 0.000 0.430 326 I N 0.818 121.424 120.570 0.060 0.000 2.163 326 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 326 I C 2.535 178.644 176.117 -0.013 0.000 1.085 326 I CA 1.595 62.914 61.300 0.033 0.000 1.347 326 I CB -0.395 37.640 38.000 0.058 0.000 1.044 326 I HN 0.408 nan 8.210 nan 0.000 0.408 327 E N 0.945 121.147 120.200 0.003 0.000 2.058 327 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 327 E C 2.285 178.872 176.600 -0.021 0.000 0.997 327 E CA 1.871 58.267 56.400 -0.006 0.000 0.801 327 E CB 0.086 29.788 29.700 0.003 0.000 0.746 327 E HN 0.268 nan 8.360 nan 0.000 0.450 328 V N 1.488 121.391 119.914 -0.018 0.000 2.237 328 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 328 V C 2.592 178.660 176.094 -0.044 0.000 1.046 328 V CA 1.913 64.204 62.300 -0.015 0.000 1.007 328 V CB -1.019 30.817 31.823 0.021 0.000 0.638 328 V HN 0.494 nan 8.190 nan 0.000 0.445 329 A N 0.511 123.266 122.820 -0.108 0.000 1.958 329 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 329 A C 2.373 179.927 177.584 -0.050 0.000 1.178 329 A CA 2.250 54.201 52.037 -0.143 0.000 0.642 329 A CB -1.254 17.315 19.000 -0.719 0.000 0.816 329 A HN 0.576 nan 8.150 nan 0.000 0.453 330 G N -0.268 108.501 108.800 -0.052 0.000 2.404 330 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 330 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 330 G C 1.409 176.285 174.900 -0.041 0.000 1.174 330 G CA 0.956 46.041 45.100 -0.024 0.000 0.780 330 G HN 0.546 nan 8.290 nan 0.000 0.537 331 N N 0.835 119.503 118.700 -0.054 0.000 2.120 331 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 331 N C 2.231 177.675 175.510 -0.110 0.000 1.024 331 N CA 0.920 53.931 53.050 -0.065 0.000 0.852 331 N CB -0.278 38.176 38.487 -0.054 0.000 1.003 331 N HN 0.360 nan 8.380 nan 0.000 0.424 332 I N 0.744 121.206 120.570 -0.181 0.000 2.252 332 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 332 I C 2.635 178.540 176.117 -0.353 0.000 1.102 332 I CA 0.691 61.773 61.300 -0.363 0.000 1.385 332 I CB -0.201 37.389 38.000 -0.683 0.000 1.064 332 I HN 0.101 nan 8.210 nan 0.000 0.414 333 R N 1.685 122.058 120.500 -0.211 0.000 2.081 333 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 333 R C 2.327 178.615 176.300 -0.021 0.000 1.131 333 R CA 1.724 57.798 56.100 -0.044 0.000 0.960 333 R CB -0.165 30.180 30.300 0.075 0.000 0.856 333 R HN 0.235 nan 8.270 nan 0.000 0.436 334 K N 0.479 120.858 120.400 -0.035 0.000 2.147 334 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 334 K C 2.039 178.628 176.600 -0.019 0.000 1.049 334 K CA 1.056 57.333 56.287 -0.017 0.000 0.936 334 K CB 0.010 32.496 32.500 -0.023 0.000 0.722 334 K HN 0.244 nan 8.250 nan 0.000 0.446 335 L N 0.440 121.632 121.223 -0.051 0.000 2.240 335 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 335 L C 1.768 178.634 176.870 -0.006 0.000 1.106 335 L CA 0.151 54.968 54.840 -0.038 0.000 0.793 335 L CB -0.063 41.953 42.059 -0.071 0.000 0.927 335 L HN 0.162 nan 8.230 nan 0.000 0.446 336 L N -0.278 120.940 121.223 -0.008 0.000 2.509 336 L HA 0.063 4.403 4.340 -0.000 0.000 0.222 336 L C 0.918 177.897 176.870 0.181 0.000 1.123 336 L CA 0.635 55.517 54.840 0.069 0.000 0.856 336 L CB -0.543 41.532 42.059 0.026 0.000 0.985 336 L HN 0.166 nan 8.230 nan 0.000 0.456 337 E N -0.442 119.835 120.200 0.130 0.000 2.465 337 E HA 0.275 4.625 4.350 -0.000 0.000 0.260 337 E C 1.231 177.879 176.600 0.079 0.000 0.980 337 E CA 0.678 57.151 56.400 0.122 0.000 0.927 337 E CB 0.093 29.829 29.700 0.060 0.000 0.934 337 E HN 0.318 nan 8.360 nan 0.000 0.459 338 G N 2.774 111.588 108.800 0.024 0.000 2.205 338 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.261 338 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.261 338 G C 0.492 175.413 174.900 0.035 0.000 0.980 338 G CA 0.374 45.468 45.100 -0.010 0.000 0.632 338 G HN 0.580 nan 8.290 nan 0.000 0.533 339 S N -0.470 115.315 115.700 0.142 0.000 2.549 339 S HA 0.478 4.948 4.470 -0.000 0.000 0.286 339 S C 1.271 175.991 174.600 0.199 0.000 1.314 339 S CA 0.508 58.827 58.200 0.198 0.000 1.062 339 S CB 1.024 64.396 63.200 0.286 0.000 0.865 339 S HN 0.458 nan 8.310 nan 0.000 0.498 340 R N 2.741 123.297 120.500 0.093 0.000 2.362 340 R HA 0.365 4.705 4.340 -0.000 0.000 0.227 340 R C 0.552 176.938 176.300 0.143 0.000 0.905 340 R CA 0.530 56.686 56.100 0.093 0.000 1.067 340 R CB -0.159 30.188 30.300 0.078 0.000 1.078 340 R HN 0.683 nan 8.270 nan 0.000 0.516 341 F N -0.340 119.787 119.950 0.295 0.000 2.243 341 F HA 0.417 4.944 4.527 -0.000 0.000 0.287 341 F C 1.297 177.208 175.800 0.186 0.000 1.067 341 F CA 0.195 58.345 58.000 0.249 0.000 1.304 341 F CB -0.728 38.325 39.000 0.089 0.000 1.087 341 F HN -0.087 nan 8.300 nan 0.000 0.513 342 A N 0.719 123.745 122.820 0.343 0.000 2.386 342 A HA 0.459 4.779 4.320 -0.000 0.000 0.248 342 A C -0.318 177.326 177.584 0.100 0.000 1.082 342 A CA -0.336 51.788 52.037 0.145 0.000 0.789 342 A CB 0.082 19.105 19.000 0.037 0.000 1.025 342 A HN -0.027 nan 8.150 nan 0.000 0.490 343 V N 3.311 123.246 119.914 0.035 0.000 2.432 343 V HA 0.315 4.435 4.120 -0.000 0.000 0.275 343 V C 0.000 176.097 176.094 0.004 0.000 1.043 343 V CA -0.089 62.279 62.300 0.113 0.000 0.925 343 V CB 0.329 32.266 31.823 0.190 0.000 0.985 343 V HN 0.988 nan 8.190 nan 0.000 0.466 361 D N 0.310 120.815 120.400 0.175 0.000 2.891 361 D HA 0.299 4.939 4.640 -0.000 0.000 0.224 361 D C -0.387 175.983 176.300 0.117 0.000 1.321 361 D CA -0.355 53.733 54.000 0.146 0.000 0.929 361 D CB 1.573 42.490 40.800 0.195 0.000 1.551 361 D HN -0.093 nan 8.370 nan 0.000 0.574 362 R N 1.677 122.225 120.500 0.080 0.000 2.774 362 R HA 0.072 4.412 4.340 -0.000 0.000 0.269 362 R C 1.026 177.442 176.300 0.194 0.000 1.068 362 R CA -0.262 55.894 56.100 0.093 0.000 1.180 362 R CB 0.538 30.830 30.300 -0.013 0.000 1.077 362 R HN 0.423 nan 8.270 nan 0.000 0.513 363 Y N 1.320 121.592 120.300 -0.047 0.000 2.096 363 Y HA -0.199 4.351 4.550 -0.000 0.000 0.278 363 Y C -0.664 175.186 175.900 -0.083 0.000 1.192 363 Y CA 1.493 59.557 58.100 -0.059 0.000 1.143 363 Y CB -1.863 36.548 38.460 -0.082 0.000 0.963 363 Y HN 0.598 nan 8.280 nan 0.000 0.505 364 P HA -0.187 nan 4.420 nan 0.000 0.217 364 P C 1.673 178.992 177.300 0.032 0.000 1.151 364 P CA 1.790 64.868 63.100 -0.038 0.000 0.849 364 P CB -0.077 31.579 31.700 -0.073 0.000 0.787 365 L N -2.285 118.982 121.223 0.073 0.000 2.269 365 L HA 0.129 4.469 4.340 -0.000 0.000 0.200 365 L C 2.707 179.638 176.870 0.103 0.000 1.069 365 L CA 0.486 55.408 54.840 0.137 0.000 0.804 365 L CB -0.447 41.693 42.059 0.135 0.000 0.987 365 L HN -0.238 nan 8.230 nan 0.000 0.468 366 R N 0.263 120.784 120.500 0.034 0.000 2.092 366 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 366 R C 1.840 178.107 176.300 -0.054 0.000 1.119 366 R CA 1.870 57.934 56.100 -0.060 0.000 0.970 366 R CB -0.042 30.248 30.300 -0.016 0.000 0.864 366 R HN 0.408 nan 8.270 nan 0.000 0.440 367 T N -2.400 112.144 114.554 -0.017 0.000 3.163 367 T HA 0.051 4.401 4.350 -0.000 0.000 0.252 367 T C 1.509 176.293 174.700 0.140 0.000 1.056 367 T CA 0.472 62.575 62.100 0.005 0.000 0.947 367 T CB 0.497 69.308 68.868 -0.095 0.000 1.016 367 T HN 0.054 nan 8.240 nan 0.000 0.554 368 S N 2.845 118.643 115.700 0.163 0.000 2.372 368 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 368 S C -0.604 174.160 174.600 0.274 0.000 1.044 368 S CA 1.475 59.821 58.200 0.244 0.000 1.050 368 S CB -1.119 62.272 63.200 0.317 0.000 0.901 368 S HN 0.436 nan 8.310 nan 0.000 0.447 369 P HA -0.051 nan 4.420 nan 0.000 0.217 369 P C 1.388 178.796 177.300 0.179 0.000 1.151 369 P CA 1.054 64.269 63.100 0.192 0.000 0.828 369 P CB -0.148 31.625 31.700 0.122 0.000 0.788 370 Q N -1.711 118.212 119.800 0.206 0.000 2.435 370 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 370 Q C 1.799 177.890 176.000 0.151 0.000 0.956 370 Q CA 0.892 56.787 55.803 0.153 0.000 0.917 370 Q CB -1.098 27.720 28.738 0.134 0.000 0.997 370 Q HN 0.493 nan 8.270 nan 0.000 0.497 371 W N 1.207 122.526 121.300 0.031 0.000 2.574 371 W HA 0.138 4.798 4.660 -0.000 0.000 0.282 371 W C 1.395 177.931 176.519 0.028 0.000 1.197 371 W CA 0.264 57.625 57.345 0.028 0.000 1.376 371 W CB 0.198 29.686 29.460 0.048 0.000 1.091 371 W HN 0.078 nan 8.180 nan 0.000 0.569 372 L N 0.362 121.722 121.223 0.228 0.000 2.162 372 L HA 0.054 4.394 4.340 -0.000 0.000 0.205 372 L C 2.776 179.662 176.870 0.028 0.000 1.086 372 L CA 1.056 55.971 54.840 0.125 0.000 0.778 372 L CB -1.406 40.752 42.059 0.165 0.000 0.928 372 L HN -0.048 nan 8.230 nan 0.000 0.446 373 G N 1.506 110.323 108.800 0.029 0.000 2.681 373 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 373 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 373 G C -0.698 174.170 174.900 -0.053 0.000 1.210 373 G CA 1.191 46.289 45.100 -0.004 0.000 0.783 373 G HN 0.295 nan 8.290 nan 0.000 0.609 374 P HA -0.058 nan 4.420 nan 0.000 0.216 374 P C 1.870 179.103 177.300 -0.112 0.000 1.150 374 P CA 0.737 63.748 63.100 -0.149 0.000 0.837 374 P CB -0.061 31.507 31.700 -0.219 0.000 0.786 375 L N -1.179 119.981 121.223 -0.105 0.000 2.005 375 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 375 L C 2.490 179.345 176.870 -0.024 0.000 1.072 375 L CA 1.667 56.466 54.840 -0.069 0.000 0.744 375 L CB -1.912 40.119 42.059 -0.047 0.000 0.895 375 L HN -0.144 nan 8.230 nan 0.000 0.433 376 V N -1.076 118.837 119.914 -0.002 0.000 2.380 376 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 376 V C 2.759 178.877 176.094 0.040 0.000 1.063 376 V CA 1.917 64.236 62.300 0.031 0.000 1.055 376 V CB -0.734 31.110 31.823 0.035 0.000 0.657 376 V HN 0.520 nan 8.190 nan 0.000 0.455 377 S N -0.797 114.912 115.700 0.016 0.000 2.383 377 S HA -0.192 4.278 4.470 -0.000 0.000 0.227 377 S C 1.759 176.390 174.600 0.051 0.000 1.026 377 S CA 1.420 59.638 58.200 0.031 0.000 0.981 377 S CB -0.356 62.845 63.200 0.001 0.000 0.818 377 S HN 0.646 nan 8.310 nan 0.000 0.472 378 D N 1.293 121.700 120.400 0.012 0.000 2.117 378 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 378 D C 1.990 178.337 176.300 0.078 0.000 0.982 378 D CA 0.902 54.912 54.000 0.015 0.000 0.828 378 D CB -0.361 40.418 40.800 -0.036 0.000 0.967 378 D HN 0.379 nan 8.370 nan 0.000 0.464 379 L N 0.675 121.929 121.223 0.051 0.000 2.017 379 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 379 L C 2.596 179.572 176.870 0.177 0.000 1.073 379 L CA 0.808 55.674 54.840 0.043 0.000 0.745 379 L CB -0.333 41.706 42.059 -0.034 0.000 0.894 379 L HN 0.002 nan 8.230 nan 0.000 0.432 380 I N -1.089 119.598 120.570 0.196 0.000 2.361 380 I HA -0.326 3.844 4.170 -0.000 0.000 0.251 380 I C 2.638 178.869 176.117 0.191 0.000 1.133 380 I CA 1.076 62.493 61.300 0.196 0.000 1.413 380 I CB -0.512 37.556 38.000 0.113 0.000 1.073 380 I HN 0.409 nan 8.210 nan 0.000 0.424 381 H N 1.327 120.446 119.070 0.082 0.000 2.363 381 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 381 H C 2.194 177.563 175.328 0.068 0.000 1.074 381 H CA 1.543 57.627 56.048 0.060 0.000 1.354 381 H CB 0.319 30.099 29.762 0.029 0.000 1.397 381 H HN 0.298 nan 8.280 nan 0.000 0.516 382 A N -0.046 122.889 122.820 0.192 0.000 2.015 382 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 382 A C 2.151 179.778 177.584 0.073 0.000 1.163 382 A CA 1.642 53.746 52.037 0.112 0.000 0.646 382 A CB -0.890 18.159 19.000 0.081 0.000 0.806 382 A HN 0.608 nan 8.150 nan 0.000 0.448 383 H N -0.432 118.680 119.070 0.070 0.000 2.357 383 H HA 0.114 4.670 4.556 -0.000 0.000 0.301 383 H C 2.237 177.572 175.328 0.012 0.000 1.082 383 H CA 1.595 57.698 56.048 0.091 0.000 1.342 383 H CB -0.060 29.797 29.762 0.157 0.000 1.389 383 H HN 0.423 nan 8.280 nan 0.000 0.511 384 A N -0.209 122.657 122.820 0.077 0.000 1.898 384 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 384 A C 2.569 180.101 177.584 -0.087 0.000 1.181 384 A CA 1.592 53.617 52.037 -0.019 0.000 0.620 384 A CB -0.818 18.128 19.000 -0.091 0.000 0.819 384 A HN 0.308 nan 8.150 nan 0.000 0.442 385 V N 0.164 120.000 119.914 -0.130 0.000 2.270 385 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 385 V C 2.568 178.614 176.094 -0.079 0.000 1.043 385 V CA 1.948 64.184 62.300 -0.107 0.000 1.014 385 V CB -0.813 30.961 31.823 -0.082 0.000 0.645 385 V HN 0.564 nan 8.190 nan 0.000 0.447 386 L N 0.598 121.769 121.223 -0.087 0.000 2.083 386 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 386 L C 2.825 179.624 176.870 -0.119 0.000 1.083 386 L CA 2.100 56.880 54.840 -0.101 0.000 0.752 386 L CB -1.111 40.877 42.059 -0.119 0.000 0.899 386 L HN 0.619 nan 8.230 nan 0.000 0.433 387 T N -2.278 112.187 114.554 -0.148 0.000 2.821 387 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 387 T C 1.787 176.447 174.700 -0.066 0.000 1.046 387 T CA 0.941 62.976 62.100 -0.109 0.000 1.139 387 T CB -0.438 68.386 68.868 -0.074 0.000 0.871 387 T HN 0.219 nan 8.240 nan 0.000 0.454 388 I N 1.136 121.670 120.570 -0.059 0.000 2.315 388 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 388 I C 2.850 178.932 176.117 -0.059 0.000 1.117 388 I CA 1.564 62.834 61.300 -0.050 0.000 1.404 388 I CB -0.259 37.714 38.000 -0.045 0.000 1.071 388 I HN 0.299 nan 8.210 nan 0.000 0.419 389 E N 1.152 121.316 120.200 -0.060 0.000 2.112 389 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 389 E C 2.003 178.570 176.600 -0.056 0.000 0.979 389 E CA 1.425 57.792 56.400 -0.054 0.000 0.814 389 E CB 0.008 29.681 29.700 -0.045 0.000 0.762 389 E HN 0.387 nan 8.360 nan 0.000 0.460 390 A N -0.634 122.150 122.820 -0.060 0.000 2.044 390 A HA 0.265 4.585 4.320 -0.000 0.000 0.213 390 A C 2.144 179.691 177.584 -0.062 0.000 1.169 390 A CA 0.917 52.921 52.037 -0.056 0.000 0.724 390 A CB -0.215 18.753 19.000 -0.054 0.000 0.840 390 A HN 0.349 nan 8.150 nan 0.000 0.463 391 G N -0.656 108.104 108.800 -0.067 0.000 2.709 391 G HA2 0.203 4.163 3.960 -0.000 0.000 0.208 391 G HA3 0.203 4.163 3.960 -0.000 0.000 0.208 391 G C 0.893 175.723 174.900 -0.116 0.000 1.129 391 G CA 0.722 45.780 45.100 -0.069 0.000 0.793 391 G HN 0.626 nan 8.290 nan 0.000 0.524 392 Q N -0.117 119.604 119.800 -0.133 0.000 2.248 392 Q HA 0.464 4.804 4.340 -0.000 0.000 0.324 392 Q C -1.071 174.814 176.000 -0.191 0.000 0.867 392 Q CA -0.257 55.407 55.803 -0.233 0.000 1.101 392 Q CB 0.624 29.271 28.738 -0.151 0.000 1.328 392 Q HN 0.050 nan 8.270 nan 0.000 0.408 393 S N 0.549 116.164 115.700 -0.142 0.000 2.538 393 S HA 0.561 5.031 4.470 -0.000 0.000 0.288 393 S C -0.733 173.828 174.600 -0.065 0.000 1.108 393 S CA -0.402 57.743 58.200 -0.092 0.000 0.971 393 S CB 2.063 65.223 63.200 -0.067 0.000 1.041 393 S HN 0.254 nan 8.310 nan 0.000 0.483 394 T N 2.271 116.806 114.554 -0.032 0.000 2.756 394 T HA 0.353 4.703 4.350 -0.000 0.000 0.290 394 T C 0.853 175.548 174.700 -0.007 0.000 0.985 394 T CA -0.506 61.600 62.100 0.011 0.000 0.955 394 T CB 0.690 69.614 68.868 0.093 0.000 0.930 394 T HN 0.689 nan 8.240 nan 0.000 0.451 395 T N -0.253 114.308 114.554 0.013 0.000 3.243 395 T HA 0.281 4.631 4.350 -0.000 0.000 0.264 395 T C 0.022 174.780 174.700 0.096 0.000 1.000 395 T CA -0.666 61.452 62.100 0.031 0.000 0.901 395 T CB -0.055 68.835 68.868 0.037 0.000 1.083 395 T HN 0.264 nan 8.240 nan 0.000 0.559 396 D N 1.968 122.420 120.400 0.086 0.000 2.511 396 D HA 0.622 5.262 4.640 -0.000 0.000 0.276 396 D C -0.155 176.246 176.300 0.167 0.000 1.220 396 D CA -0.423 53.653 54.000 0.127 0.000 1.077 396 D CB 0.586 41.442 40.800 0.093 0.000 1.126 396 D HN 0.398 nan 8.370 nan 0.000 0.583 397 N N -1.150 117.660 118.700 0.183 0.000 3.126 397 N HA 0.250 4.990 4.740 -0.000 0.000 0.233 397 N C -3.033 172.584 175.510 0.179 0.000 1.069 397 N CA -0.792 52.386 53.050 0.212 0.000 1.071 397 N CB 1.274 40.001 38.487 0.399 0.000 1.683 397 N HN -0.037 nan 8.380 nan 0.000 0.586 398 P HA 0.385 nan 4.420 nan 0.000 0.275 398 P C -0.847 176.493 177.300 0.067 0.000 1.266 398 P CA -0.353 62.819 63.100 0.119 0.000 0.793 398 P CB 0.691 32.437 31.700 0.078 0.000 1.074 399 L N 0.871 122.104 121.223 0.017 0.000 2.365 399 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 399 L C 0.167 177.033 176.870 -0.006 0.000 1.000 399 L CA -1.026 53.810 54.840 -0.007 0.000 0.819 399 L CB 1.457 43.457 42.059 -0.098 0.000 1.284 399 L HN 0.337 nan 8.230 nan 0.000 0.418 400 I N -0.994 119.577 120.570 0.003 0.000 2.392 400 I HA 0.442 4.612 4.170 -0.000 0.000 0.295 400 I C -0.667 175.399 176.117 -0.086 0.000 0.985 400 I CA -0.236 61.024 61.300 -0.067 0.000 1.221 400 I CB 1.729 39.662 38.000 -0.113 0.000 1.366 400 I HN 0.495 nan 8.210 nan 0.000 0.467 401 D N 5.812 126.130 120.400 -0.136 0.000 2.518 401 D HA 0.238 4.878 4.640 -0.000 0.000 0.230 401 D C 0.946 177.110 176.300 -0.227 0.000 1.138 401 D CA -0.450 53.493 54.000 -0.095 0.000 0.964 401 D CB 1.131 41.938 40.800 0.013 0.000 1.011 401 D HN 0.477 nan 8.370 nan 0.000 0.517 402 V N 3.879 123.658 119.914 -0.226 0.000 2.231 402 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 402 V C 2.352 178.360 176.094 -0.144 0.000 1.058 402 V CA 2.515 64.659 62.300 -0.261 0.000 1.022 402 V CB -0.843 30.910 31.823 -0.117 0.000 0.640 402 V HN 0.702 nan 8.190 nan 0.000 0.445 403 E N 0.699 120.858 120.200 -0.067 0.000 2.253 403 E HA -0.285 4.065 4.350 -0.000 0.000 0.202 403 E C 1.382 177.967 176.600 -0.025 0.000 1.014 403 E CA 2.012 58.393 56.400 -0.031 0.000 0.823 403 E CB -0.392 29.300 29.700 -0.014 0.000 0.736 403 E HN 0.668 nan 8.360 nan 0.000 0.478 404 N N 0.240 118.915 118.700 -0.043 0.000 2.171 404 N HA 0.086 4.826 4.740 -0.000 0.000 0.212 404 N C -0.767 174.732 175.510 -0.018 0.000 1.184 404 N CA 0.023 53.065 53.050 -0.014 0.000 0.888 404 N CB 0.717 39.209 38.487 0.009 0.000 1.038 404 N HN 0.081 nan 8.380 nan 0.000 0.517 405 K N 0.846 121.191 120.400 -0.092 0.000 3.257 405 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 405 K C -0.833 175.785 176.600 0.030 0.000 0.984 405 K CA 0.597 56.866 56.287 -0.031 0.000 0.739 405 K CB -1.496 31.143 32.500 0.232 0.000 1.351 405 K HN 0.153 nan 8.250 nan 0.000 0.463 406 T N -0.570 113.872 114.554 -0.187 0.000 2.865 406 T HA 0.604 4.954 4.350 -0.000 0.000 0.294 406 T C -0.730 173.884 174.700 -0.145 0.000 1.119 406 T CA -0.700 61.352 62.100 -0.080 0.000 1.007 406 T CB 1.981 70.779 68.868 -0.116 0.000 1.225 406 T HN 0.219 nan 8.240 nan 0.000 0.515 407 S N 0.410 116.016 115.700 -0.157 0.000 2.571 407 S HA 0.702 5.172 4.470 -0.000 0.000 0.284 407 S C -1.562 172.790 174.600 -0.413 0.000 1.128 407 S CA -0.930 57.180 58.200 -0.149 0.000 0.970 407 S CB 0.844 64.025 63.200 -0.031 0.000 1.039 407 S HN 0.722 nan 8.310 nan 0.000 0.485 408 H N 1.311 120.222 119.070 -0.265 0.000 2.492 408 H HA 0.505 5.061 4.556 -0.000 0.000 0.345 408 H C -0.519 174.613 175.328 -0.328 0.000 1.136 408 H CA -0.565 55.319 56.048 -0.273 0.000 1.202 408 H CB 0.856 30.531 29.762 -0.146 0.000 1.524 408 H HN 0.635 nan 8.280 nan 0.000 0.506 409 H N 2.167 121.306 119.070 0.115 0.000 2.661 409 H HA 0.394 4.950 4.556 -0.000 0.000 0.290 409 H C 0.405 175.779 175.328 0.077 0.000 1.082 409 H CA -0.325 55.779 56.048 0.094 0.000 1.234 409 H CB 0.876 30.681 29.762 0.071 0.000 1.387 409 H HN 0.881 nan 8.280 nan 0.000 0.476 410 G N 0.686 109.569 108.800 0.139 0.000 3.262 410 G HA2 0.465 4.425 3.960 -0.000 0.000 0.229 410 G HA3 0.465 4.425 3.960 -0.000 0.000 0.229 410 G C 0.066 174.902 174.900 -0.107 0.000 1.280 410 G CA -0.514 44.595 45.100 0.016 0.000 0.951 410 G HN 0.505 nan 8.290 nan 0.000 0.589 411 G N -0.727 107.867 108.800 -0.343 0.000 4.803 411 G HA2 0.201 4.161 3.960 -0.000 0.000 0.266 411 G HA3 0.201 4.161 3.960 -0.000 0.000 0.266 411 G C 0.277 174.609 174.900 -0.946 0.000 1.111 411 G CA -0.282 44.252 45.100 -0.942 0.000 0.874 411 G HN 0.491 nan 8.290 nan 0.000 0.555 412 N N 0.379 118.746 118.700 -0.554 0.000 2.609 412 N HA -0.025 4.715 4.740 -0.000 0.000 0.190 412 N C 1.371 176.745 175.510 -0.227 0.000 1.157 412 N CA 0.597 53.462 53.050 -0.308 0.000 0.918 412 N CB -0.078 38.316 38.487 -0.153 0.000 0.978 412 N HN 0.596 nan 8.380 nan 0.000 0.448 413 F N -0.383 119.569 119.950 0.004 0.000 2.754 413 F HA 0.261 4.788 4.527 -0.000 0.000 0.297 413 F C 0.946 176.749 175.800 0.006 0.000 1.122 413 F CA -0.538 57.465 58.000 0.006 0.000 1.400 413 F CB -0.557 38.452 39.000 0.014 0.000 1.117 413 F HN -0.187 nan 8.300 nan 0.000 0.587 414 Q N 2.417 122.183 119.800 -0.057 0.000 2.409 414 Q HA 0.361 4.701 4.340 -0.000 0.000 0.240 414 Q C 0.923 176.937 176.000 0.023 0.000 1.226 414 Q CA 0.148 55.983 55.803 0.052 0.000 0.895 414 Q CB 0.478 29.168 28.738 -0.080 0.000 1.491 414 Q HN 0.398 nan 8.270 nan 0.000 0.509 415 A N 3.679 126.539 122.820 0.066 0.000 2.215 415 A HA 0.100 4.420 4.320 -0.000 0.000 0.208 415 A C 1.754 179.351 177.584 0.020 0.000 1.296 415 A CA 0.823 52.881 52.037 0.035 0.000 0.918 415 A CB -0.766 18.261 19.000 0.045 0.000 0.806 415 A HN 0.862 nan 8.150 nan 0.000 0.490 416 A N 0.208 123.036 122.820 0.014 0.000 1.927 416 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 416 A C 2.489 180.078 177.584 0.009 0.000 1.185 416 A CA 2.156 54.200 52.037 0.011 0.000 0.639 416 A CB -0.934 18.068 19.000 0.004 0.000 0.820 416 A HN 1.234 nan 8.150 nan 0.000 0.451 417 A N -0.812 122.010 122.820 0.002 0.000 1.908 417 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 417 A C 2.263 179.852 177.584 0.009 0.000 1.181 417 A CA 1.974 54.015 52.037 0.006 0.000 0.627 417 A CB -0.890 18.105 19.000 -0.008 0.000 0.818 417 A HN 0.435 nan 8.150 nan 0.000 0.445 418 V N -0.342 119.575 119.914 0.005 0.000 2.283 418 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 418 V C 3.071 179.170 176.094 0.009 0.000 1.039 418 V CA 1.798 64.101 62.300 0.004 0.000 1.016 418 V CB -1.337 30.488 31.823 0.003 0.000 0.650 418 V HN 0.610 nan 8.190 nan 0.000 0.449 419 A N 0.418 123.245 122.820 0.013 0.000 1.948 419 A HA -0.350 3.970 4.320 -0.000 0.000 0.220 419 A C 2.038 179.630 177.584 0.013 0.000 1.177 419 A CA 2.603 54.649 52.037 0.014 0.000 0.636 419 A CB -0.993 18.017 19.000 0.018 0.000 0.815 419 A HN 0.624 nan 8.150 nan 0.000 0.449 420 N N -0.216 118.494 118.700 0.016 0.000 2.069 420 N HA -0.101 4.639 4.740 -0.000 0.000 0.191 420 N C 1.278 176.802 175.510 0.022 0.000 1.031 420 N CA 1.815 54.876 53.050 0.019 0.000 0.852 420 N CB -0.579 37.926 38.487 0.030 0.000 1.018 420 N HN 0.657 nan 8.380 nan 0.000 0.423 424 K N 0.207 120.598 120.400 -0.015 0.000 2.057 424 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 424 K C 1.616 178.200 176.600 -0.027 0.000 1.050 424 K CA 1.757 58.028 56.287 -0.027 0.000 0.935 424 K CB -0.143 32.341 32.500 -0.027 0.000 0.715 424 K HN 0.073 nan 8.250 nan 0.000 0.439 425 T N 0.903 115.445 114.554 -0.021 0.000 2.746 425 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 425 T C 1.854 176.544 174.700 -0.017 0.000 1.039 425 T CA 1.233 63.317 62.100 -0.026 0.000 1.142 425 T CB -0.126 68.722 68.868 -0.032 0.000 0.866 425 T HN 0.245 nan 8.240 nan 0.000 0.444 426 R N 0.222 120.715 120.500 -0.011 0.000 2.120 426 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 426 R C 2.281 178.580 176.300 -0.001 0.000 1.123 426 R CA 0.923 57.021 56.100 -0.004 0.000 0.975 426 R CB -0.347 29.950 30.300 -0.005 0.000 0.866 426 R HN 0.272 nan 8.270 nan 0.000 0.446 427 L N -0.288 120.928 121.223 -0.012 0.000 2.072 427 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 427 L C 2.104 178.967 176.870 -0.012 0.000 1.079 427 L CA 2.198 57.029 54.840 -0.014 0.000 0.752 427 L CB -0.890 41.150 42.059 -0.032 0.000 0.906 427 L HN 0.215 nan 8.230 nan 0.000 0.436 428 G N -0.390 108.397 108.800 -0.023 0.000 2.422 428 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 428 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 428 G C 1.608 176.522 174.900 0.022 0.000 1.146 428 G CA 0.998 46.086 45.100 -0.020 0.000 0.769 428 G HN 0.415 nan 8.290 nan 0.000 0.547 429 L N 0.572 121.809 121.223 0.024 0.000 2.083 429 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 429 L C 3.389 180.305 176.870 0.076 0.000 1.083 429 L CA 0.974 55.842 54.840 0.047 0.000 0.752 429 L CB -0.372 41.707 42.059 0.033 0.000 0.899 429 L HN 0.326 nan 8.230 nan 0.000 0.433 430 A N -0.479 122.382 122.820 0.068 0.000 1.933 430 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 430 A C 2.191 179.865 177.584 0.149 0.000 1.175 430 A CA 1.417 53.508 52.037 0.091 0.000 0.628 430 A CB -0.347 18.693 19.000 0.066 0.000 0.814 430 A HN 0.497 nan 8.150 nan 0.000 0.444 431 Q N -0.781 119.111 119.800 0.153 0.000 2.245 431 Q HA 0.062 4.402 4.340 -0.000 0.000 0.201 431 Q C 1.908 178.145 176.000 0.394 0.000 0.955 431 Q CA 0.953 56.929 55.803 0.288 0.000 0.870 431 Q CB -0.170 28.619 28.738 0.085 0.000 0.945 431 Q HN 0.723 nan 8.270 nan 0.000 0.461 432 I N 0.455 121.171 120.570 0.243 0.000 2.315 432 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 432 I C 2.286 178.539 176.117 0.227 0.000 1.117 432 I CA 1.023 62.465 61.300 0.237 0.000 1.404 432 I CB -0.522 37.571 38.000 0.156 0.000 1.071 432 I HN 0.258 nan 8.210 nan 0.000 0.419 433 G N 1.020 109.938 108.800 0.198 0.000 2.480 433 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.216 433 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.216 433 G C 1.637 176.668 174.900 0.218 0.000 1.200 433 G CA 1.151 46.365 45.100 0.188 0.000 0.782 433 G HN 0.193 nan 8.290 nan 0.000 0.554 434 K N 0.056 120.593 120.400 0.229 0.000 2.074 434 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 434 K C 2.348 179.032 176.600 0.139 0.000 1.048 434 K CA 1.270 57.695 56.287 0.230 0.000 0.926 434 K CB -0.638 32.015 32.500 0.256 0.000 0.713 434 K HN 0.276 nan 8.250 nan 0.000 0.444 435 L N 0.862 122.149 121.223 0.106 0.000 2.017 435 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 435 L C 1.268 178.141 176.870 0.005 0.000 1.073 435 L CA 2.007 56.806 54.840 -0.069 0.000 0.745 435 L CB -0.653 41.419 42.059 0.021 0.000 0.894 435 L HN 0.279 nan 8.230 nan 0.000 0.432 436 N N -1.561 117.201 118.700 0.104 0.000 2.331 436 N HA -0.149 4.591 4.740 -0.000 0.000 0.180 436 N C 1.518 176.992 175.510 -0.060 0.000 1.019 436 N CA 1.187 54.285 53.050 0.080 0.000 0.881 436 N CB -0.295 38.334 38.487 0.236 0.000 0.972 436 N HN 0.417 nan 8.380 nan 0.000 0.435 437 F N 1.696 121.603 119.950 -0.072 0.000 2.146 437 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 437 F C 2.356 178.081 175.800 -0.126 0.000 1.096 437 F CA 1.452 59.394 58.000 -0.097 0.000 1.275 437 F CB -0.956 38.020 39.000 -0.040 0.000 1.008 437 F HN 0.035 nan 8.300 nan 0.000 0.480 438 T N -1.702 112.631 114.554 -0.368 0.000 2.821 438 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 438 T C 1.813 176.291 174.700 -0.370 0.000 1.046 438 T CA 1.528 63.354 62.100 -0.457 0.000 1.139 438 T CB -0.680 68.040 68.868 -0.246 0.000 0.871 438 T HN 0.476 nan 8.240 nan 0.000 0.454 439 Q N 0.193 119.834 119.800 -0.266 0.000 2.079 439 Q HA 0.054 4.394 4.340 -0.000 0.000 0.200 439 Q C 2.295 178.131 176.000 -0.274 0.000 0.974 439 Q CA 1.206 56.896 55.803 -0.189 0.000 0.840 439 Q CB -0.322 28.385 28.738 -0.052 0.000 0.898 439 Q HN 0.388 nan 8.270 nan 0.000 0.430 440 L N 0.203 121.152 121.223 -0.457 0.000 1.994 440 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 440 L C 2.352 179.028 176.870 -0.323 0.000 1.071 440 L CA 2.137 56.716 54.840 -0.435 0.000 0.745 440 L CB -1.089 40.676 42.059 -0.490 0.000 0.892 440 L HN 0.122 nan 8.230 nan 0.000 0.431 441 T N -0.684 113.583 114.554 -0.479 0.000 2.759 441 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 441 T C 0.933 175.469 174.700 -0.274 0.000 1.042 441 T CA 0.810 62.655 62.100 -0.424 0.000 1.140 441 T CB -0.236 68.189 68.868 -0.739 0.000 0.864 441 T HN 0.472 nan 8.240 nan 0.000 0.455 445 N N 1.902 120.557 118.700 -0.075 0.000 2.437 445 N HA 0.354 5.094 4.740 -0.000 0.000 0.243 445 N C 0.968 176.446 175.510 -0.053 0.000 1.041 445 N CA 0.730 53.742 53.050 -0.062 0.000 0.940 445 N CB 2.027 40.466 38.487 -0.080 0.000 1.133 445 N HN 0.237 nan 8.380 nan 0.000 0.506 446 A N 3.228 126.026 122.820 -0.036 0.000 2.032 446 A HA -0.011 4.309 4.320 -0.000 0.000 0.221 446 A C 1.223 178.782 177.584 -0.042 0.000 1.165 446 A CA 1.447 53.463 52.037 -0.036 0.000 0.645 446 A CB -0.737 18.253 19.000 -0.016 0.000 0.807 446 A HN 0.629 nan 8.150 nan 0.000 0.453 450 R N 0.860 121.329 120.500 -0.052 0.000 3.109 450 R HA -0.099 4.241 4.340 -0.000 0.000 0.241 450 R C 1.015 177.289 176.300 -0.042 0.000 0.882 450 R CA 1.197 57.273 56.100 -0.040 0.000 0.604 450 R CB -1.924 28.359 30.300 -0.028 0.000 1.040 450 R HN 0.915 nan 8.270 nan 0.000 0.480 451 G N -0.997 107.767 108.800 -0.060 0.000 2.175 451 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 451 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 451 G C 0.252 175.099 174.900 -0.089 0.000 0.982 451 G CA 0.024 45.079 45.100 -0.075 0.000 0.641 451 G HN 0.300 nan 8.290 nan 0.000 0.527 452 L N 1.122 122.293 121.223 -0.087 0.000 2.436 452 L HA 0.380 4.720 4.340 -0.000 0.000 0.265 452 L C -1.650 175.168 176.870 -0.086 0.000 1.168 452 L CA -1.994 52.787 54.840 -0.098 0.000 0.815 452 L CB 0.666 42.664 42.059 -0.102 0.000 1.109 452 L HN -0.110 nan 8.230 nan 0.000 0.462 453 P HA 0.029 nan 4.420 nan 0.000 0.266 453 P C 0.442 177.721 177.300 -0.035 0.000 1.195 453 P CA 0.173 63.235 63.100 -0.062 0.000 0.768 453 P CB 0.821 32.488 31.700 -0.056 0.000 0.838 454 S N 1.682 117.371 115.700 -0.017 0.000 2.369 454 S HA -0.278 4.192 4.470 -0.000 0.000 0.299 454 S C 1.054 175.670 174.600 0.027 0.000 1.123 454 S CA 1.942 60.150 58.200 0.014 0.000 1.430 454 S CB -1.037 62.187 63.200 0.040 0.000 1.297 454 S HN 0.599 nan 8.310 nan 0.000 0.463 455 C N 0.883 120.214 119.300 0.052 0.000 2.557 455 C HA 0.559 5.019 4.460 -0.000 0.000 0.281 455 C C 0.018 175.031 174.990 0.038 0.000 1.490 455 C CA -0.644 58.413 59.018 0.065 0.000 1.771 455 C CB -0.994 26.836 27.740 0.150 0.000 2.887 455 C HN 0.616 nan 8.230 nan 0.000 0.527 456 L N 0.531 121.757 121.223 0.004 0.000 3.717 456 L HA -0.206 4.134 4.340 -0.000 0.000 0.411 456 L C 0.908 177.848 176.870 0.117 0.000 1.233 456 L CA 1.000 55.834 54.840 -0.010 0.000 0.917 456 L CB -1.956 40.035 42.059 -0.113 0.000 1.902 456 L HN 0.617 nan 8.230 nan 0.000 0.894 457 A N -0.659 122.220 122.820 0.099 0.000 2.366 457 A HA 0.732 5.052 4.320 -0.000 0.000 0.272 457 A C 1.409 179.025 177.584 0.054 0.000 1.135 457 A CA 0.253 52.352 52.037 0.103 0.000 0.804 457 A CB 0.831 19.837 19.000 0.011 0.000 1.064 457 A HN 0.771 nan 8.150 nan 0.000 0.499 458 A N 1.755 124.614 122.820 0.065 0.000 2.119 458 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 458 A C 0.988 178.526 177.584 -0.077 0.000 1.152 458 A CA 0.900 52.975 52.037 0.063 0.000 0.708 458 A CB -0.045 19.085 19.000 0.217 0.000 0.805 458 A HN 0.773 nan 8.150 nan 0.000 0.460 459 E N -0.123 119.989 120.200 -0.147 0.000 2.449 459 E HA 0.249 4.599 4.350 -0.000 0.000 0.254 459 E C -1.308 175.225 176.600 -0.112 0.000 0.907 459 E CA -0.933 55.338 56.400 -0.215 0.000 0.840 459 E CB 0.132 29.611 29.700 -0.368 0.000 1.459 459 E HN 0.101 nan 8.360 nan 0.000 0.407 460 D N 2.179 122.533 120.400 -0.077 0.000 2.586 460 D HA -0.021 4.619 4.640 -0.000 0.000 0.234 460 D C -1.661 174.585 176.300 -0.091 0.000 1.132 460 D CA -0.671 53.298 54.000 -0.050 0.000 0.860 460 D CB 0.283 41.075 40.800 -0.013 0.000 1.159 460 D HN 0.023 nan 8.370 nan 0.000 0.490 461 P HA -0.122 nan 4.420 nan 0.000 0.228 461 P C 1.176 178.345 177.300 -0.218 0.000 1.151 461 P CA 0.840 63.860 63.100 -0.132 0.000 0.770 461 P CB 0.184 31.858 31.700 -0.042 0.000 0.786 462 S N -1.314 114.302 115.700 -0.141 0.000 2.453 462 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 462 S C 1.322 175.804 174.600 -0.197 0.000 1.005 462 S CA 0.804 58.935 58.200 -0.113 0.000 0.949 462 S CB -0.880 62.292 63.200 -0.047 0.000 0.774 462 S HN 0.141 nan 8.310 nan 0.000 0.510 463 L N 0.875 121.950 121.223 -0.247 0.000 3.267 463 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 463 L C 0.091 176.774 176.870 -0.311 0.000 1.260 463 L CA -0.211 54.494 54.840 -0.225 0.000 1.034 463 L CB 1.042 43.053 42.059 -0.081 0.000 1.413 463 L HN 0.231 nan 8.230 nan 0.000 0.594 464 S N -0.855 114.526 115.700 -0.532 0.000 2.689 464 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 464 S C -0.827 173.481 174.600 -0.488 0.000 1.176 464 S CA -0.301 57.672 58.200 -0.378 0.000 1.014 464 S CB 0.693 63.790 63.200 -0.172 0.000 1.071 464 S HN 0.211 nan 8.310 nan 0.000 0.478 465 Y N 3.809 124.150 120.300 0.068 0.000 2.660 465 Y HA 0.316 4.866 4.550 -0.000 0.000 0.254 465 Y C 1.506 177.492 175.900 0.144 0.000 1.176 465 Y CA -0.239 57.908 58.100 0.079 0.000 1.195 465 Y CB -0.803 37.687 38.460 0.050 0.000 1.190 465 Y HN 0.970 nan 8.280 nan 0.000 0.535 466 H N -0.084 119.058 119.070 0.119 0.000 1.497 466 H HA -0.416 4.140 4.556 -0.000 0.000 0.099 466 H C 0.700 176.119 175.328 0.152 0.000 1.162 466 H CA 2.279 58.404 56.048 0.128 0.000 1.883 466 H CB -0.445 29.383 29.762 0.109 0.000 2.239 466 H HN 0.380 nan 8.280 nan 0.000 0.955 467 C N 1.474 120.879 119.300 0.176 0.000 2.525 467 C HA 0.160 4.620 4.460 -0.000 0.000 0.313 467 C C 2.072 177.109 174.990 0.079 0.000 1.311 467 C CA -0.127 58.933 59.018 0.070 0.000 1.725 467 C CB -0.856 26.844 27.740 -0.068 0.000 1.926 467 C HN 0.505 nan 8.230 nan 0.000 0.595 468 K N 1.712 122.182 120.400 0.116 0.000 2.211 468 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 468 K C 2.056 178.675 176.600 0.031 0.000 1.050 468 K CA 1.509 57.836 56.287 0.066 0.000 0.945 468 K CB -0.205 32.333 32.500 0.063 0.000 0.732 468 K HN 0.560 nan 8.250 nan 0.000 0.451 469 G N 0.826 109.655 108.800 0.048 0.000 2.430 469 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 469 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 469 G C 1.392 176.291 174.900 -0.003 0.000 1.146 469 G CA 0.148 45.256 45.100 0.015 0.000 0.793 469 G HN 0.165 nan 8.290 nan 0.000 0.537 470 L N 0.292 121.528 121.223 0.022 0.000 2.156 470 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 470 L C 2.412 179.289 176.870 0.011 0.000 1.095 470 L CA 1.124 55.974 54.840 0.017 0.000 0.770 470 L CB -0.191 41.900 42.059 0.054 0.000 0.914 470 L HN 0.177 nan 8.230 nan 0.000 0.439 471 D N 0.554 120.967 120.400 0.021 0.000 2.178 471 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 471 D C 2.130 178.460 176.300 0.051 0.000 0.974 471 D CA 1.164 55.191 54.000 0.044 0.000 0.841 471 D CB 0.114 40.926 40.800 0.021 0.000 0.953 471 D HN 0.256 nan 8.370 nan 0.000 0.478 472 I N 0.180 120.740 120.570 -0.018 0.000 2.286 472 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 472 I C 2.472 178.483 176.117 -0.178 0.000 1.104 472 I CA 0.879 62.139 61.300 -0.067 0.000 1.397 472 I CB -0.299 37.658 38.000 -0.071 0.000 1.072 472 I HN 0.029 nan 8.210 nan 0.000 0.417 473 A N 0.917 123.599 122.820 -0.230 0.000 1.902 473 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 473 A C 2.556 179.638 177.584 -0.837 0.000 1.181 473 A CA 1.870 53.596 52.037 -0.517 0.000 0.623 473 A CB -0.878 17.896 19.000 -0.377 0.000 0.818 473 A HN 0.419 nan 8.150 nan 0.000 0.443 474 A N -0.133 122.470 122.820 -0.361 0.000 1.940 474 A HA 0.097 4.417 4.320 -0.000 0.000 0.219 474 A C 2.490 179.895 177.584 -0.298 0.000 1.176 474 A CA 2.247 54.208 52.037 -0.127 0.000 0.631 474 A CB -0.981 18.154 19.000 0.225 0.000 0.814 474 A HN 1.079 nan 8.150 nan 0.000 0.446 475 A N -0.220 122.381 122.820 -0.366 0.000 1.898 475 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 475 A C 2.521 179.818 177.584 -0.478 0.000 1.181 475 A CA 2.046 53.679 52.037 -0.674 0.000 0.620 475 A CB -1.040 17.754 19.000 -0.342 0.000 0.819 475 A HN 1.079 nan 8.150 nan 0.000 0.442 476 A N -1.024 121.549 122.820 -0.412 0.000 1.902 476 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 476 A C 2.111 179.570 177.584 -0.207 0.000 1.181 476 A CA 1.529 53.377 52.037 -0.316 0.000 0.623 476 A CB -0.918 17.879 19.000 -0.338 0.000 0.818 476 A HN 0.689 nan 8.150 nan 0.000 0.443 477 Y N 0.066 120.298 120.300 -0.114 0.000 2.242 477 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 477 Y C 2.952 178.799 175.900 -0.090 0.000 1.137 477 Y CA 1.053 59.106 58.100 -0.079 0.000 1.181 477 Y CB -0.656 37.777 38.460 -0.044 0.000 0.989 477 Y HN 0.259 nan 8.280 nan 0.000 0.527 478 T N -0.750 113.773 114.554 -0.051 0.000 2.788 478 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 478 T C 2.067 176.714 174.700 -0.089 0.000 1.044 478 T CA 1.530 63.565 62.100 -0.109 0.000 1.139 478 T CB -0.345 68.296 68.868 -0.378 0.000 0.867 478 T HN 0.259 nan 8.240 nan 0.000 0.454 479 S N 0.829 116.451 115.700 -0.131 0.000 2.356 479 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 479 S C 2.066 176.667 174.600 0.001 0.000 1.032 479 S CA 1.114 59.270 58.200 -0.074 0.000 1.005 479 S CB -0.277 62.863 63.200 -0.100 0.000 0.867 479 S HN 0.581 nan 8.310 nan 0.000 0.449 480 E N 0.845 121.053 120.200 0.013 0.000 2.058 480 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 480 E C 1.971 178.625 176.600 0.091 0.000 0.997 480 E CA 1.004 57.437 56.400 0.055 0.000 0.801 480 E CB -0.178 29.560 29.700 0.063 0.000 0.746 480 E HN 0.404 nan 8.360 nan 0.000 0.450 481 L N -0.132 121.135 121.223 0.073 0.000 2.079 481 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 481 L C 2.545 179.455 176.870 0.066 0.000 1.081 481 L CA 1.146 56.028 54.840 0.070 0.000 0.752 481 L CB -0.639 41.463 42.059 0.071 0.000 0.896 481 L HN 0.306 nan 8.230 nan 0.000 0.433 482 G N -1.203 107.636 108.800 0.065 0.000 2.459 482 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 482 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 482 G C 1.537 176.479 174.900 0.069 0.000 1.183 482 G CA 0.898 46.036 45.100 0.063 0.000 0.776 482 G HN 0.447 nan 8.290 nan 0.000 0.552 483 H N 0.586 119.659 119.070 0.005 0.000 2.387 483 H HA 0.082 4.638 4.556 -0.000 0.000 0.299 483 H C 2.581 177.912 175.328 0.005 0.000 1.090 483 H CA 1.160 57.210 56.048 0.003 0.000 1.332 483 H CB -0.151 29.609 29.762 -0.005 0.000 1.386 483 H HN 0.291 nan 8.280 nan 0.000 0.516 484 L N 0.469 121.713 121.223 0.035 0.000 2.191 484 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 484 L C 2.907 179.741 176.870 -0.061 0.000 1.103 484 L CA 0.835 55.665 54.840 -0.017 0.000 0.769 484 L CB -0.411 41.678 42.059 0.050 0.000 0.908 484 L HN 0.296 nan 8.230 nan 0.000 0.438 485 A N -0.626 122.170 122.820 -0.039 0.000 2.172 485 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 485 A C 0.928 178.484 177.584 -0.047 0.000 1.154 485 A CA 0.420 52.440 52.037 -0.029 0.000 0.701 485 A CB -0.591 18.408 19.000 -0.002 0.000 0.789 485 A HN 0.398 nan 8.150 nan 0.000 0.465 486 N N 1.272 119.918 118.700 -0.091 0.000 2.416 486 N HA 0.154 4.894 4.740 -0.000 0.000 0.246 486 N C -2.571 172.919 175.510 -0.033 0.000 1.260 486 N CA -0.690 52.319 53.050 -0.068 0.000 0.897 486 N CB 0.070 38.491 38.487 -0.110 0.000 1.110 486 N HN 0.269 nan 8.380 nan 0.000 0.439 487 P HA 0.070 nan 4.420 nan 0.000 0.275 487 P C 0.411 177.762 177.300 0.086 0.000 1.228 487 P CA -0.238 62.877 63.100 0.026 0.000 0.786 487 P CB 1.109 32.818 31.700 0.016 0.000 0.927 488 V N 1.771 121.729 119.914 0.073 0.000 2.795 488 V HA -0.091 4.029 4.120 -0.000 0.000 0.243 488 V C 2.513 178.690 176.094 0.140 0.000 1.069 488 V CA 2.121 64.485 62.300 0.106 0.000 1.089 488 V CB -1.357 30.489 31.823 0.038 0.000 0.756 488 V HN 0.675 nan 8.190 nan 0.000 0.471 489 T N -1.092 113.505 114.554 0.071 0.000 3.077 489 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 489 T C 1.478 176.185 174.700 0.011 0.000 1.146 489 T CA 1.554 63.679 62.100 0.042 0.000 1.091 489 T CB -0.701 68.178 68.868 0.020 0.000 0.892 489 T HN 0.593 nan 8.240 nan 0.000 0.533 490 T N -1.409 113.130 114.554 -0.024 0.000 3.169 490 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 490 T C 0.876 175.372 174.700 -0.338 0.000 1.111 490 T CA -0.052 61.948 62.100 -0.166 0.000 1.010 490 T CB -0.384 68.347 68.868 -0.227 0.000 0.984 490 T HN 0.532 nan 8.240 nan 0.000 0.537 491 H N 0.893 119.961 119.070 -0.004 0.000 2.469 491 H HA 0.371 4.927 4.556 -0.000 0.000 0.286 491 H C 0.071 175.401 175.328 0.003 0.000 1.106 491 H CA -0.412 55.636 56.048 -0.001 0.000 1.055 491 H CB 0.294 30.054 29.762 -0.004 0.000 1.618 491 H HN 0.249 nan 8.280 nan 0.000 0.559 492 V N 2.586 122.528 119.914 0.048 0.000 2.673 492 V HA -0.058 4.062 4.120 -0.000 0.000 0.303 492 V C 0.597 176.712 176.094 0.035 0.000 1.046 492 V CA 0.285 62.609 62.300 0.041 0.000 1.126 492 V CB 0.961 32.797 31.823 0.021 0.000 0.934 492 V HN 0.311 nan 8.190 nan 0.000 0.487 493 Q N 5.473 125.296 119.800 0.038 0.000 2.301 493 Q HA 0.423 4.763 4.340 -0.000 0.000 0.267 493 Q C -2.438 173.577 176.000 0.025 0.000 1.035 493 Q CA -2.310 53.512 55.803 0.031 0.000 0.856 493 Q CB 1.716 30.474 28.738 0.034 0.000 1.337 493 Q HN 0.479 nan 8.270 nan 0.000 0.450 494 P HA 0.168 nan 4.420 nan 0.000 0.263 494 P C -0.799 176.512 177.300 0.018 0.000 1.601 494 P CA 0.084 63.195 63.100 0.018 0.000 1.161 494 P CB -0.120 31.589 31.700 0.014 0.000 1.730 495 A N 2.818 125.650 122.820 0.020 0.000 2.366 495 A HA 0.244 4.564 4.320 -0.000 0.000 0.249 495 A C 0.675 178.266 177.584 0.012 0.000 1.084 495 A CA -0.213 51.834 52.037 0.017 0.000 0.794 495 A CB -0.170 18.842 19.000 0.019 0.000 1.034 495 A HN 0.650 nan 8.150 nan 0.000 0.491 499 N N 0.662 119.367 118.700 0.008 0.000 2.244 499 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 499 N C 0.963 176.487 175.510 0.025 0.000 1.016 499 N CA 1.605 54.663 53.050 0.012 0.000 0.866 499 N CB -0.088 38.400 38.487 0.000 0.000 0.980 499 N HN 0.596 nan 8.380 nan 0.000 0.430 500 Q N -0.390 119.422 119.800 0.021 0.000 2.465 500 Q HA 0.352 4.692 4.340 -0.000 0.000 0.361 500 Q C 0.799 176.822 176.000 0.037 0.000 0.957 500 Q CA -0.305 55.519 55.803 0.034 0.000 1.065 500 Q CB 0.671 29.419 28.738 0.017 0.000 1.274 500 Q HN 0.376 nan 8.270 nan 0.000 0.421 501 A N 0.586 123.427 122.820 0.035 0.000 1.917 501 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 501 A C 1.174 178.777 177.584 0.033 0.000 1.182 501 A CA 1.515 53.570 52.037 0.029 0.000 0.633 501 A CB -0.218 18.797 19.000 0.025 0.000 0.819 501 A HN 0.372 nan 8.150 nan 0.000 0.448 502 V N -0.970 118.971 119.914 0.045 0.000 2.448 502 V HA 0.685 4.805 4.120 -0.000 0.000 0.295 502 V C -1.081 175.052 176.094 0.064 0.000 1.025 502 V CA -0.636 61.690 62.300 0.045 0.000 0.859 502 V CB 0.913 32.758 31.823 0.037 0.000 0.988 502 V HN 0.620 nan 8.190 nan 0.000 0.431 503 N N 2.232 120.966 118.700 0.057 0.000 2.262 503 N HA 0.537 5.277 4.740 -0.000 0.000 0.295 503 N C 0.593 176.136 175.510 0.056 0.000 1.161 503 N CA -0.267 52.825 53.050 0.068 0.000 0.767 503 N CB 2.091 40.613 38.487 0.058 0.000 1.499 503 N HN 0.611 nan 8.380 nan 0.000 0.476 504 S N 1.063 116.800 115.700 0.061 0.000 2.446 504 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 504 S C 0.893 175.517 174.600 0.039 0.000 1.016 504 S CA 0.008 58.236 58.200 0.046 0.000 0.943 504 S CB -0.753 62.475 63.200 0.048 0.000 0.786 504 S HN 0.632 nan 8.310 nan 0.000 0.508 505 L N -0.227 121.020 121.223 0.040 0.000 4.001 505 L HA -0.308 4.032 4.340 -0.000 0.000 0.413 505 L C 1.827 178.713 176.870 0.026 0.000 1.185 505 L CA 0.139 54.999 54.840 0.033 0.000 0.963 505 L CB -2.547 39.535 42.059 0.039 0.000 1.976 505 L HN 0.494 nan 8.230 nan 0.000 0.939 506 A N 0.128 122.963 122.820 0.026 0.000 1.883 506 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 506 A C 1.941 179.532 177.584 0.013 0.000 1.186 506 A CA 2.049 54.098 52.037 0.019 0.000 0.624 506 A CB -0.200 18.813 19.000 0.021 0.000 0.822 506 A HN 0.425 nan 8.150 nan 0.000 0.444 507 L N -0.004 121.226 121.223 0.012 0.000 2.046 507 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 507 L C 2.269 179.140 176.870 0.001 0.000 1.077 507 L CA 1.739 56.581 54.840 0.004 0.000 0.747 507 L CB -0.457 41.603 42.059 0.002 0.000 0.896 507 L HN 0.457 nan 8.230 nan 0.000 0.432 508 I N -1.496 119.076 120.570 0.004 0.000 2.226 508 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 508 I C 2.650 178.767 176.117 0.001 0.000 1.100 508 I CA 1.572 62.872 61.300 0.000 0.000 1.374 508 I CB -0.490 37.511 38.000 0.003 0.000 1.057 508 I HN 0.309 nan 8.210 nan 0.000 0.413 509 S N 0.358 116.061 115.700 0.006 0.000 2.382 509 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 509 S C 2.174 176.775 174.600 0.002 0.000 1.027 509 S CA 1.366 59.569 58.200 0.005 0.000 0.991 509 S CB -0.183 63.022 63.200 0.009 0.000 0.823 509 S HN 0.480 nan 8.310 nan 0.000 0.469 510 A N 1.329 124.151 122.820 0.002 0.000 1.969 510 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 510 A C 2.205 179.789 177.584 -0.000 0.000 1.169 510 A CA 1.211 53.248 52.037 0.000 0.000 0.635 510 A CB -0.480 18.519 19.000 -0.000 0.000 0.810 510 A HN 0.576 nan 8.150 nan 0.000 0.445 511 R N -0.883 119.616 120.500 -0.002 0.000 2.066 511 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 511 R C 2.401 178.702 176.300 0.001 0.000 1.131 511 R CA 1.221 57.319 56.100 -0.003 0.000 0.955 511 R CB -0.244 30.052 30.300 -0.007 0.000 0.851 511 R HN 0.326 nan 8.270 nan 0.000 0.432 512 R N -0.039 120.461 120.500 0.000 0.000 2.081 512 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 512 R C 2.158 178.462 176.300 0.007 0.000 1.131 512 R CA 1.618 57.720 56.100 0.003 0.000 0.960 512 R CB -0.836 29.462 30.300 -0.004 0.000 0.856 512 R HN 0.269 nan 8.270 nan 0.000 0.436 513 T N 0.581 115.138 114.554 0.004 0.000 2.788 513 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 513 T C 1.796 176.502 174.700 0.010 0.000 1.044 513 T CA 1.776 63.879 62.100 0.005 0.000 1.139 513 T CB -0.229 68.639 68.868 0.000 0.000 0.867 513 T HN 0.292 nan 8.240 nan 0.000 0.454 514 T N 1.417 115.977 114.554 0.010 0.000 2.833 514 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 514 T C 1.913 176.624 174.700 0.019 0.000 1.054 514 T CA 1.213 63.321 62.100 0.014 0.000 1.135 514 T CB -0.158 68.715 68.868 0.009 0.000 0.869 514 T HN 0.544 nan 8.240 nan 0.000 0.466 515 E N 0.448 120.659 120.200 0.017 0.000 2.107 515 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 515 E C 2.267 178.882 176.600 0.024 0.000 0.982 515 E CA 0.828 57.240 56.400 0.021 0.000 0.809 515 E CB 0.008 29.720 29.700 0.019 0.000 0.756 515 E HN 0.297 nan 8.360 nan 0.000 0.459 516 S N 0.875 116.590 115.700 0.025 0.000 2.383 516 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 516 S C 1.644 176.263 174.600 0.031 0.000 1.026 516 S CA 0.813 59.030 58.200 0.029 0.000 0.981 516 S CB -0.268 62.949 63.200 0.027 0.000 0.818 516 S HN 0.321 nan 8.310 nan 0.000 0.472 517 N N 1.410 120.128 118.700 0.030 0.000 2.149 517 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 517 N C 1.397 176.938 175.510 0.052 0.000 1.019 517 N CA 1.242 54.313 53.050 0.036 0.000 0.857 517 N CB -0.462 38.044 38.487 0.032 0.000 0.997 517 N HN 0.424 nan 8.380 nan 0.000 0.426 518 D N -0.343 120.089 120.400 0.053 0.000 2.162 518 D HA 0.000 4.640 4.640 -0.000 0.000 0.203 518 D C 1.816 178.137 176.300 0.034 0.000 0.967 518 D CA 0.322 54.374 54.000 0.086 0.000 0.840 518 D CB 0.250 41.098 40.800 0.079 0.000 0.972 518 D HN -0.076 nan 8.370 nan 0.000 0.482 519 V N 0.630 120.537 119.914 -0.012 0.000 2.591 519 V HA -0.083 4.037 4.120 -0.000 0.000 0.249 519 V C 2.422 178.463 176.094 -0.089 0.000 1.053 519 V CA 0.833 63.080 62.300 -0.089 0.000 1.068 519 V CB -0.271 31.542 31.823 -0.016 0.000 0.689 519 V HN 0.364 nan 8.190 nan 0.000 0.462 520 L N -0.494 120.732 121.223 0.005 0.000 2.217 520 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 520 L C 2.423 179.323 176.870 0.051 0.000 1.107 520 L CA 1.257 56.125 54.840 0.046 0.000 0.783 520 L CB -0.104 41.996 42.059 0.068 0.000 0.919 520 L HN 0.368 nan 8.230 nan 0.000 0.442 521 S N -0.032 115.709 115.700 0.067 0.000 2.402 521 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 521 S C 1.850 176.534 174.600 0.141 0.000 1.021 521 S CA 0.840 59.131 58.200 0.152 0.000 0.974 521 S CB -0.055 63.293 63.200 0.248 0.000 0.800 521 S HN 0.351 nan 8.310 nan 0.000 0.484 522 L N 0.576 121.727 121.223 -0.119 0.000 2.027 522 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 522 L C 2.352 179.089 176.870 -0.222 0.000 1.074 522 L CA 0.704 55.285 54.840 -0.431 0.000 0.745 522 L CB -0.485 40.913 42.059 -1.102 0.000 0.898 522 L HN 0.290 nan 8.230 nan 0.000 0.433 523 L N 0.127 121.282 121.223 -0.114 0.000 1.989 523 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 523 L C 2.290 179.298 176.870 0.228 0.000 1.071 523 L CA 1.871 56.852 54.840 0.235 0.000 0.749 523 L CB -0.556 41.659 42.059 0.260 0.000 0.890 523 L HN 0.110 nan 8.230 nan 0.000 0.431 524 L N -0.730 120.605 121.223 0.186 0.000 2.201 524 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 524 L C 2.587 179.576 176.870 0.198 0.000 1.105 524 L CA 0.882 55.847 54.840 0.207 0.000 0.775 524 L CB -1.044 41.107 42.059 0.153 0.000 0.913 524 L HN 0.397 nan 8.230 nan 0.000 0.440 525 A N -0.080 122.848 122.820 0.181 0.000 1.930 525 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 525 A C 2.379 180.088 177.584 0.209 0.000 1.175 525 A CA 2.047 54.197 52.037 0.189 0.000 0.627 525 A CB -0.685 18.435 19.000 0.201 0.000 0.815 525 A HN 0.333 nan 8.150 nan 0.000 0.443 526 T N -1.555 113.125 114.554 0.211 0.000 2.777 526 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 526 T C 1.797 176.678 174.700 0.303 0.000 1.040 526 T CA 1.470 63.707 62.100 0.229 0.000 1.141 526 T CB -0.439 68.579 68.868 0.249 0.000 0.868 526 T HN 0.758 nan 8.240 nan 0.000 0.444 527 H N 0.319 119.490 119.070 0.167 0.000 2.270 527 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 527 H C 2.363 177.765 175.328 0.125 0.000 1.077 527 H CA 1.075 57.201 56.048 0.130 0.000 1.294 527 H CB -0.178 29.651 29.762 0.112 0.000 1.371 527 H HN 0.109 nan 8.280 nan 0.000 0.491 528 L N 0.792 122.119 121.223 0.175 0.000 2.051 528 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 528 L C 2.260 179.210 176.870 0.133 0.000 1.076 528 L CA 2.003 56.886 54.840 0.072 0.000 0.758 528 L CB -1.375 40.743 42.059 0.099 0.000 0.890 528 L HN 0.430 nan 8.230 nan 0.000 0.433 529 Y N -0.867 119.482 120.300 0.081 0.000 2.145 529 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 529 Y C 2.673 178.605 175.900 0.052 0.000 1.145 529 Y CA 2.162 60.305 58.100 0.072 0.000 1.148 529 Y CB -0.710 37.804 38.460 0.091 0.000 0.981 529 Y HN 0.279 nan 8.280 nan 0.000 0.507 530 C N -1.059 118.370 119.300 0.216 0.000 2.446 530 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 530 C C 2.887 177.867 174.990 -0.018 0.000 1.275 530 C CA 1.164 60.221 59.018 0.064 0.000 1.727 530 C CB -1.233 26.594 27.740 0.145 0.000 2.010 530 C HN 0.571 nan 8.230 nan 0.000 0.486 531 V N 0.498 120.440 119.914 0.047 0.000 2.490 531 V HA -0.124 3.996 4.120 -0.000 0.000 0.250 531 V C 2.154 178.214 176.094 -0.057 0.000 1.061 531 V CA 1.703 63.997 62.300 -0.009 0.000 1.064 531 V CB -0.357 31.439 31.823 -0.046 0.000 0.670 531 V HN 0.459 nan 8.190 nan 0.000 0.461 532 L N -0.233 120.953 121.223 -0.062 0.000 2.156 532 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 532 L C 2.350 179.176 176.870 -0.073 0.000 1.095 532 L CA 2.026 56.840 54.840 -0.043 0.000 0.770 532 L CB -1.044 40.954 42.059 -0.102 0.000 0.914 532 L HN 0.474 nan 8.230 nan 0.000 0.439 533 Q N -0.613 119.087 119.800 -0.167 0.000 2.187 533 Q HA -0.007 4.333 4.340 -0.000 0.000 0.199 533 Q C 2.150 178.084 176.000 -0.110 0.000 0.957 533 Q CA 1.524 57.249 55.803 -0.129 0.000 0.857 533 Q CB -0.072 28.544 28.738 -0.203 0.000 0.929 533 Q HN 0.388 nan 8.270 nan 0.000 0.453 534 A N 0.241 122.981 122.820 -0.133 0.000 1.897 534 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 534 A C 2.094 179.536 177.584 -0.237 0.000 1.181 534 A CA 1.148 53.086 52.037 -0.164 0.000 0.620 534 A CB -0.605 18.306 19.000 -0.149 0.000 0.821 534 A HN 0.460 nan 8.150 nan 0.000 0.443 535 I N -0.025 120.410 120.570 -0.224 0.000 2.226 535 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 535 I C 1.784 177.760 176.117 -0.236 0.000 1.100 535 I CA 1.473 62.576 61.300 -0.329 0.000 1.374 535 I CB -0.322 37.573 38.000 -0.176 0.000 1.057 535 I HN 0.303 nan 8.210 nan 0.000 0.413 536 D N 0.439 120.772 120.400 -0.110 0.000 2.117 536 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 536 D C 2.118 178.188 176.300 -0.383 0.000 0.982 536 D CA 1.062 54.962 54.000 -0.168 0.000 0.828 536 D CB -0.119 40.636 40.800 -0.074 0.000 0.967 536 D HN 0.150 nan 8.370 nan 0.000 0.464 537 L N 0.759 121.799 121.223 -0.304 0.000 2.131 537 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 537 L C 2.370 179.063 176.870 -0.294 0.000 1.092 537 L CA 1.284 55.952 54.840 -0.287 0.000 0.759 537 L CB -0.544 41.405 42.059 -0.183 0.000 0.903 537 L HN -0.099 nan 8.230 nan 0.000 0.435 538 R N -0.851 119.440 120.500 -0.348 0.000 2.090 538 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 538 R C 2.229 178.236 176.300 -0.488 0.000 1.110 538 R CA 1.132 56.959 56.100 -0.455 0.000 0.973 538 R CB -0.238 29.666 30.300 -0.660 0.000 0.869 538 R HN 0.307 nan 8.270 nan 0.000 0.440 539 A N 0.874 123.519 122.820 -0.291 0.000 1.877 539 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 539 A C 2.143 179.662 177.584 -0.107 0.000 1.186 539 A CA 1.600 53.565 52.037 -0.121 0.000 0.620 539 A CB -0.612 18.433 19.000 0.076 0.000 0.822 539 A HN 0.364 nan 8.150 nan 0.000 0.443 540 I N -0.598 119.851 120.570 -0.201 0.000 2.286 540 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 540 I C 2.559 178.689 176.117 0.022 0.000 1.115 540 I CA 1.709 62.934 61.300 -0.124 0.000 1.392 540 I CB -0.369 37.465 38.000 -0.277 0.000 1.065 540 I HN 0.562 nan 8.210 nan 0.000 0.418 541 E N 1.482 121.667 120.200 -0.025 0.000 2.051 541 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 541 E C 2.331 179.148 176.600 0.362 0.000 0.991 541 E CA 1.381 57.856 56.400 0.125 0.000 0.799 541 E CB -0.151 29.585 29.700 0.061 0.000 0.748 541 E HN 0.486 nan 8.360 nan 0.000 0.449 542 F N 0.907 120.844 119.950 -0.021 0.000 2.134 542 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 542 F C 2.608 178.438 175.800 0.050 0.000 1.097 542 F CA 0.277 58.226 58.000 -0.085 0.000 1.264 542 F CB 0.029 38.712 39.000 -0.529 0.000 1.001 542 F HN 0.055 nan 8.300 nan 0.000 0.479 543 E N 0.366 120.748 120.200 0.303 0.000 2.110 543 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 543 E C 1.842 178.579 176.600 0.229 0.000 0.988 543 E CA 1.071 57.628 56.400 0.262 0.000 0.804 543 E CB -0.801 29.039 29.700 0.233 0.000 0.745 543 E HN 0.432 nan 8.360 nan 0.000 0.458 544 F N 2.107 122.132 119.950 0.126 0.000 2.075 544 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 544 F C 2.124 178.019 175.800 0.158 0.000 1.113 544 F CA 1.639 59.704 58.000 0.109 0.000 1.218 544 F CB 0.015 39.059 39.000 0.075 0.000 0.984 544 F HN -0.126 nan 8.300 nan 0.000 0.472 545 K N 0.265 120.808 120.400 0.238 0.000 2.152 545 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 545 K C 2.071 178.684 176.600 0.022 0.000 1.048 545 K CA 1.619 57.990 56.287 0.139 0.000 0.933 545 K CB -0.229 32.394 32.500 0.205 0.000 0.721 545 K HN 0.276 nan 8.250 nan 0.000 0.447 546 K N 0.810 121.232 120.400 0.037 0.000 2.103 546 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 546 K C 2.079 178.665 176.600 -0.024 0.000 1.048 546 K CA 1.553 57.851 56.287 0.019 0.000 0.930 546 K CB 0.088 32.628 32.500 0.067 0.000 0.716 546 K HN 0.210 nan 8.250 nan 0.000 0.444 547 Q N -1.477 118.285 119.800 -0.062 0.000 2.349 547 Q HA 0.007 4.347 4.340 -0.000 0.000 0.209 547 Q C 1.609 177.533 176.000 -0.127 0.000 0.920 547 Q CA 0.298 56.050 55.803 -0.084 0.000 0.901 547 Q CB 0.149 28.845 28.738 -0.071 0.000 1.021 547 Q HN 0.190 nan 8.270 nan 0.000 0.519 548 F N 1.020 120.714 119.950 -0.427 0.000 2.259 548 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 548 F C 1.919 177.607 175.800 -0.186 0.000 1.088 548 F CA 1.350 59.084 58.000 -0.445 0.000 1.358 548 F CB -0.493 37.981 39.000 -0.878 0.000 1.040 548 F HN 0.016 nan 8.300 nan 0.000 0.505 549 G N 0.888 109.586 108.800 -0.171 0.000 2.514 549 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 549 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 549 G C -0.542 174.236 174.900 -0.202 0.000 1.198 549 G CA 1.039 46.043 45.100 -0.160 0.000 0.780 549 G HN 0.273 nan 8.290 nan 0.000 0.565 550 P HA -0.020 nan 4.420 nan 0.000 0.215 550 P C 2.241 179.445 177.300 -0.160 0.000 1.153 550 P CA 1.958 64.985 63.100 -0.122 0.000 0.853 550 P CB -0.190 31.459 31.700 -0.085 0.000 0.788 551 A N -0.811 121.872 122.820 -0.228 0.000 1.978 551 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 551 A C 2.164 179.577 177.584 -0.286 0.000 1.170 551 A CA 1.459 53.353 52.037 -0.238 0.000 0.636 551 A CB -1.614 17.246 19.000 -0.233 0.000 0.810 551 A HN 0.122 nan 8.150 nan 0.000 0.448 552 I N -0.593 119.714 120.570 -0.438 0.000 2.113 552 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 552 I C 2.367 178.473 176.117 -0.018 0.000 1.070 552 I CA 1.387 62.536 61.300 -0.252 0.000 1.332 552 I CB -0.542 37.312 38.000 -0.243 0.000 1.044 552 I HN 0.159 nan 8.210 nan 0.000 0.402 553 V N 0.188 120.079 119.914 -0.039 0.000 2.332 553 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 553 V C 2.643 178.749 176.094 0.020 0.000 1.055 553 V CA 2.279 64.588 62.300 0.014 0.000 1.038 553 V CB -0.795 31.022 31.823 -0.011 0.000 0.651 553 V HN 0.504 nan 8.190 nan 0.000 0.450 554 S N -0.279 115.410 115.700 -0.019 0.000 2.370 554 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 554 S C 1.876 176.483 174.600 0.011 0.000 1.033 554 S CA 1.662 59.853 58.200 -0.016 0.000 1.011 554 S CB -0.304 62.871 63.200 -0.042 0.000 0.852 554 S HN 0.365 nan 8.310 nan 0.000 0.457 555 L N 1.210 122.453 121.223 0.034 0.000 2.291 555 L HA 0.278 4.618 4.340 -0.000 0.000 0.214 555 L C 1.983 178.971 176.870 0.197 0.000 1.120 555 L CA 1.105 56.014 54.840 0.115 0.000 0.799 555 L CB -0.590 41.507 42.059 0.062 0.000 0.925 555 L HN 0.421 nan 8.230 nan 0.000 0.446 556 I N -1.092 119.585 120.570 0.179 0.000 2.353 556 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 556 I C 1.817 177.977 176.117 0.073 0.000 1.119 556 I CA 0.898 62.284 61.300 0.144 0.000 1.417 556 I CB -0.215 37.927 38.000 0.238 0.000 1.078 556 I HN 0.215 nan 8.210 nan 0.000 0.421 557 D N 0.282 120.718 120.400 0.059 0.000 2.149 557 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 557 D C 2.044 178.334 176.300 -0.016 0.000 0.972 557 D CA 0.979 55.001 54.000 0.037 0.000 0.835 557 D CB -0.122 40.690 40.800 0.020 0.000 0.966 557 D HN 0.416 nan 8.370 nan 0.000 0.476 558 Q N -0.177 119.593 119.800 -0.050 0.000 2.167 558 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 558 Q C 1.732 177.582 176.000 -0.250 0.000 0.970 558 Q CA 1.217 56.942 55.803 -0.130 0.000 0.855 558 Q CB 0.173 28.831 28.738 -0.133 0.000 0.911 558 Q HN 0.395 nan 8.270 nan 0.000 0.438 559 H N -1.344 117.574 119.070 -0.254 0.000 2.418 559 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 559 H C 0.326 175.436 175.328 -0.364 0.000 1.041 559 H CA 1.100 56.902 56.048 -0.410 0.000 1.364 559 H CB 0.479 29.830 29.762 -0.685 0.000 1.439 559 H HN 0.336 nan 8.280 nan 0.000 0.540 560 F N -1.669 118.297 119.950 0.027 0.000 2.815 560 F HA 0.467 4.994 4.527 0.000 0.000 0.335 560 F C 1.612 177.384 175.800 -0.048 0.000 1.179 560 F CA -0.453 57.525 58.000 -0.038 0.000 1.204 560 F CB -0.342 38.595 39.000 -0.105 0.000 1.050 560 F HN -0.096 nan 8.300 nan 0.000 0.510 561 G N 0.266 109.153 108.800 0.144 0.000 2.408 561 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 561 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 561 G C 1.548 176.480 174.900 0.053 0.000 1.156 561 G CA 0.850 45.999 45.100 0.082 0.000 0.793 561 G HN 0.338 nan 8.290 nan 0.000 0.535 562 S N 0.474 116.202 115.700 0.046 0.000 2.465 562 S HA 0.242 4.712 4.470 -0.000 0.000 0.241 562 S C 1.335 175.955 174.600 0.035 0.000 1.000 562 S CA 0.717 58.935 58.200 0.030 0.000 0.964 562 S CB -0.090 63.122 63.200 0.020 0.000 0.763 562 S HN 0.682 nan 8.310 nan 0.000 0.512 566 G N 2.826 111.622 108.800 -0.007 0.000 2.157 566 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.248 566 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.248 566 G C 0.210 175.103 174.900 -0.013 0.000 0.979 566 G CA 0.720 45.815 45.100 -0.009 0.000 0.650 566 G HN 2.051 nan 8.290 nan 0.000 0.529 567 S N -1.401 114.290 115.700 -0.016 0.000 2.677 567 S HA 0.664 5.134 4.470 -0.000 0.000 0.304 567 S C 0.024 174.610 174.600 -0.023 0.000 1.108 567 S CA -0.305 57.883 58.200 -0.022 0.000 0.944 567 S CB 1.637 64.819 63.200 -0.029 0.000 1.127 567 S HN 0.251 nan 8.310 nan 0.000 0.511 568 N N 0.466 119.150 118.700 -0.026 0.000 2.546 568 N HA 0.245 4.985 4.740 -0.000 0.000 0.286 568 N C -0.238 175.252 175.510 -0.033 0.000 1.259 568 N CA -0.157 52.878 53.050 -0.025 0.000 0.939 568 N CB 0.225 38.699 38.487 -0.021 0.000 1.243 568 N HN 0.263 nan 8.380 nan 0.000 0.511 569 L N 0.420 121.618 121.223 -0.041 0.000 2.298 569 L HA 0.181 4.521 4.340 -0.000 0.000 0.209 569 L C 2.307 179.141 176.870 -0.059 0.000 1.084 569 L CA 0.919 55.724 54.840 -0.059 0.000 0.816 569 L CB -0.708 41.303 42.059 -0.080 0.000 0.967 569 L HN 0.215 nan 8.230 nan 0.000 0.460 570 R N 0.462 120.936 120.500 -0.043 0.000 2.171 570 R HA -0.278 4.062 4.340 -0.000 0.000 0.232 570 R C 1.832 178.115 176.300 -0.028 0.000 1.116 570 R CA 2.535 58.617 56.100 -0.030 0.000 0.901 570 R CB -0.482 29.812 30.300 -0.010 0.000 0.850 570 R HN 0.289 nan 8.270 nan 0.000 0.431 571 D N -0.409 119.978 120.400 -0.021 0.000 2.170 571 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 571 D C 1.788 178.073 176.300 -0.024 0.000 1.004 571 D CA 1.720 55.709 54.000 -0.018 0.000 0.860 571 D CB -0.143 40.647 40.800 -0.016 0.000 0.931 571 D HN 0.414 nan 8.370 nan 0.000 0.448 572 E N -0.191 119.988 120.200 -0.034 0.000 2.106 572 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 572 E C 2.135 178.705 176.600 -0.049 0.000 0.984 572 E CA 0.337 56.714 56.400 -0.040 0.000 0.806 572 E CB -0.080 29.593 29.700 -0.046 0.000 0.750 572 E HN 0.288 nan 8.360 nan 0.000 0.458 573 L N 0.373 121.557 121.223 -0.066 0.000 1.994 573 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 573 L C 2.422 179.270 176.870 -0.038 0.000 1.071 573 L CA 1.124 55.911 54.840 -0.089 0.000 0.745 573 L CB -0.233 41.741 42.059 -0.142 0.000 0.892 573 L HN 0.127 nan 8.230 nan 0.000 0.431 574 V N 0.081 119.989 119.914 -0.009 0.000 2.343 574 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 574 V C 2.327 178.433 176.094 0.020 0.000 1.051 574 V CA 1.980 64.295 62.300 0.025 0.000 1.036 574 V CB -0.513 31.322 31.823 0.020 0.000 0.654 574 V HN 0.491 nan 8.190 nan 0.000 0.451 575 E N -0.362 119.838 120.200 0.001 0.000 2.106 575 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 575 E C 2.265 178.861 176.600 -0.006 0.000 0.984 575 E CA 1.124 57.523 56.400 -0.002 0.000 0.806 575 E CB -0.078 29.616 29.700 -0.010 0.000 0.750 575 E HN 0.408 nan 8.360 nan 0.000 0.458 576 K N 0.217 120.606 120.400 -0.018 0.000 2.031 576 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 576 K C 2.007 178.594 176.600 -0.022 0.000 1.049 576 K CA 0.509 56.776 56.287 -0.033 0.000 0.939 576 K CB -0.522 31.947 32.500 -0.050 0.000 0.717 576 K HN -0.068 nan 8.250 nan 0.000 0.438 577 V N 2.140 122.067 119.914 0.021 0.000 2.332 577 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 577 V C 1.874 178.022 176.094 0.090 0.000 1.055 577 V CA 1.855 64.215 62.300 0.100 0.000 1.038 577 V CB -0.502 31.457 31.823 0.228 0.000 0.651 577 V HN 0.383 nan 8.190 nan 0.000 0.450 578 N N -0.144 118.603 118.700 0.078 0.000 2.120 578 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 578 N C 1.907 177.436 175.510 0.032 0.000 1.024 578 N CA 1.442 54.537 53.050 0.074 0.000 0.852 578 N CB -0.241 38.281 38.487 0.060 0.000 1.003 578 N HN 0.486 nan 8.380 nan 0.000 0.424 579 K N 0.234 120.634 120.400 -0.001 0.000 2.026 579 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 579 K C 2.082 178.638 176.600 -0.074 0.000 1.048 579 K CA 1.799 58.069 56.287 -0.029 0.000 0.929 579 K CB -0.120 32.358 32.500 -0.036 0.000 0.713 579 K HN 0.349 nan 8.250 nan 0.000 0.439 580 T N -0.795 113.677 114.554 -0.136 0.000 2.904 580 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 580 T C 1.931 176.504 174.700 -0.213 0.000 1.059 580 T CA 0.730 62.657 62.100 -0.289 0.000 1.137 580 T CB -0.290 68.251 68.868 -0.544 0.000 0.879 580 T HN 0.115 nan 8.240 nan 0.000 0.467 581 L N 0.784 121.944 121.223 -0.105 0.000 2.083 581 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 581 L C 3.252 180.096 176.870 -0.044 0.000 1.083 581 L CA 1.270 56.066 54.840 -0.074 0.000 0.752 581 L CB -0.615 41.453 42.059 0.015 0.000 0.899 581 L HN 0.423 nan 8.230 nan 0.000 0.433 582 A N -0.178 122.635 122.820 -0.011 0.000 1.898 582 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 582 A C 2.366 179.936 177.584 -0.024 0.000 1.183 582 A CA 1.443 53.480 52.037 0.000 0.000 0.622 582 A CB -0.331 18.685 19.000 0.026 0.000 0.824 582 A HN 0.297 nan 8.150 nan 0.000 0.444 583 K N -0.563 119.819 120.400 -0.030 0.000 2.063 583 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 583 K C 2.271 178.880 176.600 0.014 0.000 1.048 583 K CA 1.872 58.153 56.287 -0.010 0.000 0.928 583 K CB -0.127 32.360 32.500 -0.022 0.000 0.713 583 K HN 0.282 nan 8.250 nan 0.000 0.442 584 R N 0.542 121.058 120.500 0.026 0.000 2.062 584 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 584 R C 2.059 178.296 176.300 -0.104 0.000 1.125 584 R CA 0.913 57.049 56.100 0.060 0.000 0.966 584 R CB -0.838 29.609 30.300 0.246 0.000 0.861 584 R HN 0.198 nan 8.270 nan 0.000 0.433 585 L N 1.593 122.718 121.223 -0.164 0.000 2.351 585 L HA -0.077 4.263 4.340 -0.000 0.000 0.220 585 L C 1.633 178.369 176.870 -0.223 0.000 1.127 585 L CA 1.784 56.456 54.840 -0.281 0.000 0.786 585 L CB -0.614 41.276 42.059 -0.282 0.000 0.914 585 L HN 0.404 nan 8.230 nan 0.000 0.443 586 E N -1.662 118.457 120.200 -0.135 0.000 2.489 586 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 586 E C 1.168 177.706 176.600 -0.105 0.000 1.057 586 E CA 0.098 56.436 56.400 -0.104 0.000 0.866 586 E CB 0.286 29.952 29.700 -0.056 0.000 0.916 586 E HN 0.476 nan 8.360 nan 0.000 0.500 587 Q N -0.970 118.751 119.800 -0.132 0.000 2.189 587 Q HA 0.063 4.403 4.340 -0.000 0.000 0.223 587 Q C 0.871 176.762 176.000 -0.181 0.000 0.828 587 Q CA 0.610 56.344 55.803 -0.114 0.000 0.967 587 Q CB 1.572 30.262 28.738 -0.080 0.000 1.139 587 Q HN 0.237 nan 8.270 nan 0.000 0.497 588 T N -2.103 112.264 114.554 -0.312 0.000 3.132 588 T HA 0.031 4.381 4.350 -0.000 0.000 0.274 588 T C 0.826 175.303 174.700 -0.372 0.000 1.011 588 T CA -0.369 61.395 62.100 -0.560 0.000 0.899 588 T CB -0.266 68.000 68.868 -1.004 0.000 1.089 588 T HN 0.119 nan 8.240 nan 0.000 0.543 589 N N 2.152 120.722 118.700 -0.217 0.000 2.678 589 N HA -0.062 4.678 4.740 -0.000 0.000 0.199 589 N C 1.014 176.488 175.510 -0.059 0.000 1.353 589 N CA 0.733 53.690 53.050 -0.156 0.000 0.916 589 N CB -0.243 38.168 38.487 -0.128 0.000 1.057 589 N HN 0.640 nan 8.380 nan 0.000 0.449 590 S N -2.484 113.236 115.700 0.034 0.000 2.666 590 S HA 0.187 4.657 4.470 -0.000 0.000 0.239 590 S C 0.017 174.735 174.600 0.197 0.000 1.031 590 S CA -0.742 57.519 58.200 0.103 0.000 1.015 590 S CB -0.116 63.151 63.200 0.111 0.000 0.981 590 S HN 0.066 nan 8.310 nan 0.000 0.547 591 Y N 2.465 122.709 120.300 -0.094 0.000 2.281 591 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 591 Y C 0.588 176.442 175.900 -0.077 0.000 1.304 591 Y CA -1.132 56.918 58.100 -0.083 0.000 1.465 591 Y CB 0.189 38.584 38.460 -0.108 0.000 1.350 591 Y HN 0.120 nan 8.280 nan 0.000 0.575 592 D N 1.642 122.106 120.400 0.107 0.000 2.881 592 D HA 0.195 4.835 4.640 -0.000 0.000 0.240 592 D C 0.971 177.318 176.300 0.077 0.000 1.249 592 D CA 0.232 54.265 54.000 0.056 0.000 0.839 592 D CB -0.121 40.696 40.800 0.030 0.000 1.042 592 D HN 0.552 nan 8.370 nan 0.000 0.475 593 L N -0.443 120.822 121.223 0.071 0.000 3.782 593 L HA -0.403 3.937 4.340 -0.000 0.000 0.053 593 L C 1.908 178.924 176.870 0.243 0.000 4.256 593 L CA 2.541 57.465 54.840 0.141 0.000 0.725 593 L CB -1.409 40.734 42.059 0.141 0.000 3.466 593 L HN 0.124 nan 8.230 nan 0.000 0.901 594 V N -3.195 116.852 119.914 0.222 0.000 2.332 594 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 594 V C -0.150 176.137 176.094 0.323 0.000 1.055 594 V CA 1.947 64.414 62.300 0.279 0.000 1.038 594 V CB -2.283 29.672 31.823 0.221 0.000 0.651 594 V HN 0.598 nan 8.190 nan 0.000 0.450 595 P HA -0.055 nan 4.420 nan 0.000 0.217 595 P C 1.931 179.399 177.300 0.281 0.000 1.154 595 P CA 1.273 64.517 63.100 0.240 0.000 0.841 595 P CB -0.203 31.582 31.700 0.143 0.000 0.788 596 R N -0.679 119.938 120.500 0.194 0.000 2.094 596 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 596 R C 2.012 178.157 176.300 -0.257 0.000 1.137 596 R CA 2.048 58.085 56.100 -0.105 0.000 0.943 596 R CB -0.978 29.130 30.300 -0.319 0.000 0.850 596 R HN 0.238 nan 8.270 nan 0.000 0.433 597 W N -0.432 120.877 121.300 0.015 0.000 2.418 597 W HA -0.104 4.556 4.660 -0.000 0.000 0.292 597 W C 2.436 178.987 176.519 0.053 0.000 1.213 597 W CA 0.598 57.937 57.345 -0.010 0.000 1.283 597 W CB -0.332 29.109 29.460 -0.032 0.000 1.119 597 W HN 0.273 nan 8.180 nan 0.000 0.542 598 H N -0.661 118.605 119.070 0.327 0.000 2.423 598 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 598 H C 1.414 176.867 175.328 0.208 0.000 1.075 598 H CA 2.010 58.213 56.048 0.258 0.000 1.342 598 H CB -0.481 29.388 29.762 0.179 0.000 1.395 598 H HN 0.269 nan 8.280 nan 0.000 0.530 599 D N 0.295 120.845 120.400 0.250 0.000 2.144 599 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 599 D C 2.306 178.662 176.300 0.093 0.000 0.978 599 D CA 1.101 55.191 54.000 0.149 0.000 0.833 599 D CB 0.087 40.945 40.800 0.098 0.000 0.961 599 D HN 0.260 nan 8.370 nan 0.000 0.470 600 A N -0.373 122.445 122.820 -0.004 0.000 1.873 600 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 600 A C 1.936 179.500 177.584 -0.032 0.000 1.186 600 A CA 0.930 52.907 52.037 -0.100 0.000 0.616 600 A CB -1.100 17.695 19.000 -0.343 0.000 0.823 600 A HN 0.379 nan 8.150 nan 0.000 0.442 601 F N -0.247 119.815 119.950 0.187 0.000 2.661 601 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 601 F C 2.716 178.638 175.800 0.203 0.000 1.137 601 F CA 0.866 58.946 58.000 0.133 0.000 1.454 601 F CB 0.096 39.041 39.000 -0.090 0.000 1.103 601 F HN 0.282 nan 8.300 nan 0.000 0.577 602 S N -0.016 115.895 115.700 0.352 0.000 2.371 602 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 602 S C 2.132 176.949 174.600 0.363 0.000 1.029 602 S CA 0.861 59.250 58.200 0.314 0.000 0.978 602 S CB -0.472 62.868 63.200 0.233 0.000 0.833 602 S HN 0.339 nan 8.310 nan 0.000 0.466 603 F N 2.821 122.853 119.950 0.137 0.000 2.146 603 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 603 F C 2.467 178.358 175.800 0.152 0.000 1.096 603 F CA 0.758 58.820 58.000 0.103 0.000 1.275 603 F CB -1.395 37.627 39.000 0.036 0.000 1.008 603 F HN 0.288 nan 8.300 nan 0.000 0.480 604 A N 0.427 123.429 122.820 0.304 0.000 1.883 604 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 604 A C 2.482 180.312 177.584 0.410 0.000 1.186 604 A CA 2.074 54.289 52.037 0.298 0.000 0.624 604 A CB -1.523 17.786 19.000 0.515 0.000 0.822 604 A HN 0.415 nan 8.150 nan 0.000 0.444 605 A N -0.572 122.581 122.820 0.556 0.000 2.032 605 A HA 0.042 4.362 4.320 -0.000 0.000 0.221 605 A C 2.303 180.045 177.584 0.264 0.000 1.165 605 A CA 1.977 54.307 52.037 0.489 0.000 0.645 605 A CB -1.260 18.022 19.000 0.471 0.000 0.807 605 A HN 0.779 nan 8.150 nan 0.000 0.453 606 G N -0.803 108.155 108.800 0.263 0.000 2.421 606 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 606 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 606 G C 1.667 176.633 174.900 0.109 0.000 1.143 606 G CA 1.826 47.047 45.100 0.202 0.000 0.784 606 G HN 0.701 nan 8.290 nan 0.000 0.541 607 T N -1.511 113.081 114.554 0.064 0.000 2.978 607 T HA 0.038 4.388 4.350 -0.000 0.000 0.262 607 T C 2.269 176.933 174.700 -0.061 0.000 1.063 607 T CA 0.927 63.019 62.100 -0.013 0.000 1.140 607 T CB -0.131 68.700 68.868 -0.061 0.000 0.886 607 T HN -0.026 nan 8.240 nan 0.000 0.470 608 V N 1.638 121.502 119.914 -0.083 0.000 2.392 608 V HA -0.134 3.986 4.120 -0.000 0.000 0.249 608 V C 2.873 178.850 176.094 -0.195 0.000 1.059 608 V CA 1.330 63.478 62.300 -0.254 0.000 1.051 608 V CB -0.754 30.837 31.823 -0.387 0.000 0.658 608 V HN 0.395 nan 8.190 nan 0.000 0.455 609 V N -0.561 119.306 119.914 -0.077 0.000 2.490 609 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 609 V C 2.437 178.501 176.094 -0.050 0.000 1.061 609 V CA 1.894 64.168 62.300 -0.044 0.000 1.064 609 V CB -0.394 31.440 31.823 0.019 0.000 0.670 609 V HN 0.606 nan 8.190 nan 0.000 0.461 610 E N -0.170 120.000 120.200 -0.049 0.000 2.060 610 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 610 E C 2.240 178.799 176.600 -0.069 0.000 0.974 610 E CA 1.487 57.861 56.400 -0.044 0.000 0.808 610 E CB 0.113 29.797 29.700 -0.027 0.000 0.768 610 E HN 0.608 nan 8.360 nan 0.000 0.453 611 V N -0.750 119.104 119.914 -0.101 0.000 2.407 611 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 611 V C 1.754 177.769 176.094 -0.132 0.000 1.041 611 V CA 1.032 63.265 62.300 -0.111 0.000 1.040 611 V CB -0.372 31.373 31.823 -0.129 0.000 0.671 611 V HN 0.056 nan 8.190 nan 0.000 0.455 612 L N 1.474 122.587 121.223 -0.184 0.000 2.715 612 L HA 0.325 4.665 4.340 -0.000 0.000 0.238 612 L C 2.347 179.140 176.870 -0.128 0.000 1.212 612 L CA 1.134 55.858 54.840 -0.194 0.000 1.017 612 L CB -0.781 41.078 42.059 -0.333 0.000 1.269 612 L HN 0.423 nan 8.230 nan 0.000 0.452 613 S N -0.284 115.360 115.700 -0.092 0.000 2.400 613 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 613 S C 2.087 176.660 174.600 -0.045 0.000 1.025 613 S CA 1.754 59.919 58.200 -0.058 0.000 0.993 613 S CB 0.082 63.256 63.200 -0.043 0.000 0.808 613 S HN 0.655 nan 8.310 nan 0.000 0.478 614 S N 0.313 115.984 115.700 -0.049 0.000 2.556 614 S HA 0.130 4.600 4.470 -0.000 0.000 0.216 614 S C 0.873 175.453 174.600 -0.035 0.000 0.970 614 S CA 0.325 58.504 58.200 -0.035 0.000 0.912 614 S CB -0.482 62.699 63.200 -0.032 0.000 0.790 614 S HN 0.662 nan 8.310 nan 0.000 0.504 615 T N 0.580 115.105 114.554 -0.048 0.000 2.754 615 T HA 0.359 4.709 4.350 -0.000 0.000 0.286 615 T C 0.948 175.636 174.700 -0.020 0.000 0.997 615 T CA 0.059 62.136 62.100 -0.039 0.000 0.982 615 T CB 0.982 69.814 68.868 -0.060 0.000 1.027 615 T HN 0.329 nan 8.240 nan 0.000 0.529 616 S N -0.164 115.533 115.700 -0.005 0.000 2.614 616 S HA 0.264 4.734 4.470 -0.000 0.000 0.230 616 S C 0.535 175.148 174.600 0.022 0.000 0.952 616 S CA -0.743 57.462 58.200 0.008 0.000 0.949 616 S CB -0.877 62.331 63.200 0.012 0.000 0.786 616 S HN 0.596 nan 8.310 nan 0.000 0.478 617 L N 3.211 124.447 121.223 0.022 0.000 2.485 617 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 617 L C 0.891 177.794 176.870 0.055 0.000 1.207 617 L CA -0.286 54.586 54.840 0.053 0.000 0.855 617 L CB 0.572 42.662 42.059 0.052 0.000 1.114 617 L HN 0.426 nan 8.230 nan 0.000 0.485 618 S N 2.633 118.379 115.700 0.076 0.000 2.617 618 S HA 0.376 4.846 4.470 -0.000 0.000 0.283 618 S C 1.070 175.724 174.600 0.090 0.000 1.189 618 S CA -0.985 57.258 58.200 0.071 0.000 1.036 618 S CB 1.305 64.546 63.200 0.068 0.000 1.014 618 S HN 0.564 nan 8.310 nan 0.000 0.522 619 L N 1.042 122.313 121.223 0.080 0.000 2.187 619 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 619 L C 2.870 179.807 176.870 0.112 0.000 1.100 619 L CA 1.621 56.518 54.840 0.094 0.000 0.765 619 L CB -1.229 40.876 42.059 0.077 0.000 0.904 619 L HN 0.944 nan 8.230 nan 0.000 0.437 620 A N 0.133 123.014 122.820 0.101 0.000 1.929 620 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 620 A C 2.586 180.250 177.584 0.134 0.000 1.176 620 A CA 1.359 53.459 52.037 0.105 0.000 0.628 620 A CB -0.439 18.610 19.000 0.083 0.000 0.816 620 A HN 0.367 nan 8.150 nan 0.000 0.444 621 A N -0.363 122.545 122.820 0.147 0.000 1.902 621 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 621 A C 2.201 179.936 177.584 0.251 0.000 1.181 621 A CA 1.866 54.019 52.037 0.193 0.000 0.623 621 A CB -0.916 18.198 19.000 0.189 0.000 0.818 621 A HN 0.394 nan 8.150 nan 0.000 0.443 622 V N 0.577 120.653 119.914 0.270 0.000 2.358 622 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 622 V C 2.376 178.692 176.094 0.371 0.000 1.047 622 V CA 2.260 64.785 62.300 0.374 0.000 1.035 622 V CB -1.155 30.833 31.823 0.276 0.000 0.658 622 V HN 0.748 nan 8.190 nan 0.000 0.452 623 N N 0.600 119.445 118.700 0.241 0.000 2.084 623 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 623 N C 1.796 177.383 175.510 0.128 0.000 1.030 623 N CA 1.592 54.756 53.050 0.189 0.000 0.849 623 N CB -0.335 38.236 38.487 0.140 0.000 1.012 623 N HN 0.395 nan 8.380 nan 0.000 0.423 624 A N -0.184 122.704 122.820 0.113 0.000 1.892 624 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 624 A C 2.095 179.596 177.584 -0.138 0.000 1.188 624 A CA 1.756 53.827 52.037 0.056 0.000 0.631 624 A CB -1.586 17.504 19.000 0.149 0.000 0.822 624 A HN 0.722 nan 8.150 nan 0.000 0.447 625 W N 1.193 122.193 121.300 -0.500 0.000 2.317 625 W HA -0.246 4.414 4.660 -0.000 0.000 0.318 625 W C 2.175 178.404 176.519 -0.482 0.000 1.227 625 W CA 2.534 59.308 57.345 -0.952 0.000 1.269 625 W CB -0.149 28.882 29.460 -0.715 0.000 1.155 625 W HN 0.262 nan 8.180 nan 0.000 0.484 626 K N 0.464 120.679 120.400 -0.309 0.000 2.113 626 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 626 K C 1.696 178.040 176.600 -0.426 0.000 1.047 626 K CA 2.239 58.232 56.287 -0.490 0.000 0.928 626 K CB -0.814 31.738 32.500 0.086 0.000 0.716 626 K HN 0.278 nan 8.250 nan 0.000 0.446 627 V N 1.292 121.084 119.914 -0.203 0.000 2.379 627 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 627 V C 2.643 178.604 176.094 -0.222 0.000 1.044 627 V CA 1.736 63.992 62.300 -0.073 0.000 1.036 627 V CB -0.738 31.116 31.823 0.052 0.000 0.664 627 V HN 0.456 nan 8.190 nan 0.000 0.453 628 A N 0.075 122.711 122.820 -0.307 0.000 1.933 628 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 628 A C 2.399 179.714 177.584 -0.447 0.000 1.175 628 A CA 2.033 53.904 52.037 -0.278 0.000 0.628 628 A CB -0.694 18.207 19.000 -0.164 0.000 0.814 628 A HN 0.550 nan 8.150 nan 0.000 0.444 629 A N -0.234 122.078 122.820 -0.847 0.000 1.898 629 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 629 A C 2.487 179.559 177.584 -0.853 0.000 1.181 629 A CA 1.928 53.269 52.037 -1.161 0.000 0.620 629 A CB -0.925 16.611 19.000 -2.440 0.000 0.819 629 A HN 0.981 nan 8.150 nan 0.000 0.442 630 A N -0.617 121.794 122.820 -0.682 0.000 1.898 630 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 630 A C 1.950 179.357 177.584 -0.295 0.000 1.181 630 A CA 1.592 53.459 52.037 -0.283 0.000 0.620 630 A CB -0.408 18.259 19.000 -0.556 0.000 0.819 630 A HN 0.395 nan 8.150 nan 0.000 0.442 631 E N 0.469 120.509 120.200 -0.266 0.000 2.153 631 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 631 E C 2.409 178.930 176.600 -0.132 0.000 0.988 631 E CA 1.455 57.774 56.400 -0.135 0.000 0.811 631 E CB -0.310 29.355 29.700 -0.059 0.000 0.746 631 E HN 0.767 nan 8.360 nan 0.000 0.466 632 S N -0.021 115.580 115.700 -0.165 0.000 2.446 632 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 632 S C 2.149 176.672 174.600 -0.128 0.000 1.016 632 S CA 0.669 58.805 58.200 -0.107 0.000 0.943 632 S CB 0.167 63.317 63.200 -0.083 0.000 0.786 632 S HN 0.207 nan 8.310 nan 0.000 0.508 633 A N 2.148 124.799 122.820 -0.282 0.000 1.897 633 A HA 0.204 4.524 4.320 -0.000 0.000 0.215 633 A C 2.158 179.376 177.584 -0.611 0.000 1.181 633 A CA 1.119 52.731 52.037 -0.708 0.000 0.620 633 A CB -0.765 17.270 19.000 -1.609 0.000 0.821 633 A HN 0.538 nan 8.150 nan 0.000 0.443 634 I N -0.706 119.600 120.570 -0.440 0.000 2.179 634 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 634 I C 2.860 178.941 176.117 -0.059 0.000 1.088 634 I CA 1.607 62.809 61.300 -0.163 0.000 1.357 634 I CB -0.267 37.718 38.000 -0.026 0.000 1.051 634 I HN 0.410 nan 8.210 nan 0.000 0.409 635 S N 0.827 116.495 115.700 -0.053 0.000 2.368 635 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 635 S C 2.091 176.708 174.600 0.028 0.000 1.030 635 S CA 1.257 59.457 58.200 -0.000 0.000 0.999 635 S CB -0.265 62.930 63.200 -0.008 0.000 0.844 635 S HN 0.327 nan 8.310 nan 0.000 0.459 636 L N 0.574 121.811 121.223 0.023 0.000 2.017 636 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 636 L C 2.720 179.704 176.870 0.189 0.000 1.073 636 L CA 1.682 56.574 54.840 0.087 0.000 0.745 636 L CB -0.896 41.190 42.059 0.045 0.000 0.894 636 L HN 0.360 nan 8.230 nan 0.000 0.432 637 T N -0.582 114.092 114.554 0.200 0.000 2.635 637 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 637 T C 1.910 176.682 174.700 0.119 0.000 1.040 637 T CA 1.551 63.737 62.100 0.144 0.000 1.156 637 T CB -0.195 68.660 68.868 -0.022 0.000 0.863 637 T HN 0.304 nan 8.240 nan 0.000 0.430 638 R N 0.685 121.243 120.500 0.097 0.000 2.117 638 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 638 R C 2.675 179.057 176.300 0.137 0.000 1.143 638 R CA 1.486 57.653 56.100 0.111 0.000 0.968 638 R CB -0.269 30.093 30.300 0.103 0.000 0.863 638 R HN 0.514 nan 8.270 nan 0.000 0.444 639 Q N 0.472 120.347 119.800 0.126 0.000 1.990 639 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 639 Q C 2.179 178.268 176.000 0.150 0.000 0.980 639 Q CA 1.636 57.514 55.803 0.125 0.000 0.832 639 Q CB -0.092 28.705 28.738 0.099 0.000 0.897 639 Q HN 0.245 nan 8.270 nan 0.000 0.427 640 V N 0.838 120.850 119.914 0.163 0.000 2.469 640 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 640 V C 2.201 178.412 176.094 0.194 0.000 1.064 640 V CA 1.817 64.223 62.300 0.176 0.000 1.066 640 V CB -0.338 31.610 31.823 0.209 0.000 0.667 640 V HN 0.348 nan 8.190 nan 0.000 0.461 641 R N -0.382 120.239 120.500 0.203 0.000 2.062 641 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 641 R C 2.337 178.880 176.300 0.405 0.000 1.136 641 R CA 1.727 57.998 56.100 0.284 0.000 0.948 641 R CB -0.451 30.002 30.300 0.256 0.000 0.845 641 R HN 0.465 nan 8.270 nan 0.000 0.430 642 E N 0.307 120.698 120.200 0.318 0.000 2.209 642 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 642 E C 1.776 178.524 176.600 0.246 0.000 0.993 642 E CA 1.926 58.508 56.400 0.305 0.000 0.819 642 E CB -0.124 29.705 29.700 0.215 0.000 0.745 642 E HN 0.419 nan 8.360 nan 0.000 0.477 643 T N -2.312 112.362 114.554 0.201 0.000 3.043 643 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 643 T C 1.748 176.521 174.700 0.122 0.000 1.094 643 T CA 0.643 62.829 62.100 0.143 0.000 1.127 643 T CB -0.463 68.478 68.868 0.121 0.000 0.905 643 T HN 0.205 nan 8.240 nan 0.000 0.490 644 F N 0.602 120.547 119.950 -0.008 0.000 2.128 644 F HA 0.213 4.740 4.527 0.000 0.000 0.295 644 F C 1.552 177.208 175.800 -0.239 0.000 1.100 644 F CA 0.372 58.265 58.000 -0.178 0.000 1.260 644 F CB -0.481 38.310 39.000 -0.349 0.000 1.009 644 F HN 0.159 nan 8.300 nan 0.000 0.476 645 W N -0.161 121.118 121.300 -0.035 0.000 2.595 645 W HA -0.004 4.656 4.660 -0.000 0.000 0.257 645 W C 2.803 179.262 176.519 -0.101 0.000 1.267 645 W CA 0.904 58.179 57.345 -0.117 0.000 1.300 645 W CB -0.541 28.968 29.460 0.081 0.000 1.120 645 W HN 0.046 nan 8.180 nan 0.000 0.618 646 S N -0.049 115.710 115.700 0.098 0.000 2.406 646 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 646 S C 1.354 175.947 174.600 -0.013 0.000 1.030 646 S CA 0.434 58.675 58.200 0.068 0.000 0.958 646 S CB -0.522 62.727 63.200 0.081 0.000 0.811 646 S HN 0.007 nan 8.310 nan 0.000 0.489 647 A N 1.091 123.856 122.820 -0.091 0.000 2.346 647 A HA 0.707 5.027 4.320 -0.000 0.000 0.252 647 A C 0.304 177.800 177.584 -0.146 0.000 1.089 647 A CA 0.082 52.053 52.037 -0.110 0.000 0.797 647 A CB 0.022 18.945 19.000 -0.128 0.000 1.047 647 A HN 0.665 nan 8.150 nan 0.000 0.494 648 A N 0.205 122.969 122.820 -0.093 0.000 2.295 648 A HA 0.549 4.869 4.320 -0.000 0.000 0.318 648 A C 1.303 178.840 177.584 -0.079 0.000 1.134 648 A CA 0.174 52.166 52.037 -0.075 0.000 0.827 648 A CB 0.314 19.295 19.000 -0.032 0.000 1.136 648 A HN 1.064 nan 8.150 nan 0.000 0.493 649 S N 0.481 116.143 115.700 -0.063 0.000 2.409 649 S HA -0.247 4.223 4.470 -0.000 0.000 0.237 649 S C 1.991 176.625 174.600 0.056 0.000 1.060 649 S CA 2.471 60.665 58.200 -0.010 0.000 1.052 649 S CB -0.700 62.491 63.200 -0.015 0.000 0.871 649 S HN 1.076 nan 8.310 nan 0.000 0.465 650 T N 0.074 114.646 114.554 0.030 0.000 2.929 650 T HA -0.031 4.319 4.350 -0.000 0.000 0.271 650 T C 1.277 175.998 174.700 0.035 0.000 1.085 650 T CA 1.151 63.277 62.100 0.044 0.000 1.125 650 T CB -0.340 68.542 68.868 0.024 0.000 0.874 650 T HN 0.481 nan 8.240 nan 0.000 0.494 651 S N 0.249 115.957 115.700 0.012 0.000 2.661 651 S HA 0.460 4.930 4.470 -0.000 0.000 0.245 651 S C 0.200 174.801 174.600 0.001 0.000 1.117 651 S CA -0.745 57.456 58.200 0.002 0.000 1.091 651 S CB 0.187 63.381 63.200 -0.010 0.000 0.887 651 S HN 0.331 nan 8.310 nan 0.000 0.491 652 S N 3.157 118.876 115.700 0.033 0.000 2.564 652 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 652 S C -0.937 173.718 174.600 0.092 0.000 1.333 652 S CA -1.300 56.947 58.200 0.078 0.000 1.048 652 S CB 0.761 64.079 63.200 0.197 0.000 0.900 652 S HN 0.340 nan 8.310 nan 0.000 0.505 653 P HA -0.053 nan 4.420 nan 0.000 0.220 653 P C 1.118 178.511 177.300 0.155 0.000 1.148 653 P CA 1.159 64.356 63.100 0.161 0.000 0.803 653 P CB -0.143 31.711 31.700 0.257 0.000 0.782 654 A N 0.325 123.228 122.820 0.140 0.000 2.019 654 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 654 A C 2.343 179.880 177.584 -0.080 0.000 1.164 654 A CA 1.100 53.190 52.037 0.089 0.000 0.644 654 A CB -1.522 17.406 19.000 -0.119 0.000 0.805 654 A HN 0.168 nan 8.150 nan 0.000 0.449 655 L N -0.631 120.498 121.223 -0.156 0.000 2.201 655 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 655 L C 2.638 179.407 176.870 -0.168 0.000 1.105 655 L CA 1.210 55.951 54.840 -0.164 0.000 0.775 655 L CB -0.381 41.620 42.059 -0.097 0.000 0.913 655 L HN 0.302 nan 8.230 nan 0.000 0.440 656 S N -1.169 114.383 115.700 -0.248 0.000 2.406 656 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 656 S C 1.648 175.897 174.600 -0.584 0.000 1.020 656 S CA 1.097 59.024 58.200 -0.456 0.000 0.965 656 S CB -0.137 62.653 63.200 -0.684 0.000 0.798 656 S HN 0.400 nan 8.310 nan 0.000 0.488 657 Y N 0.715 120.857 120.300 -0.263 0.000 2.503 657 Y HA 0.401 4.951 4.550 -0.000 0.000 0.277 657 Y C 0.776 176.412 175.900 -0.440 0.000 1.102 657 Y CA -0.503 57.272 58.100 -0.541 0.000 1.261 657 Y CB -0.221 37.506 38.460 -1.221 0.000 1.096 657 Y HN 0.062 nan 8.280 nan 0.000 0.546 658 L N 0.890 122.097 121.223 -0.027 0.000 2.485 658 L HA 0.024 4.364 4.340 -0.000 0.000 0.275 658 L C 1.005 177.911 176.870 0.059 0.000 1.207 658 L CA -0.134 54.786 54.840 0.134 0.000 0.855 658 L CB 0.557 42.657 42.059 0.068 0.000 1.114 658 L HN 0.113 nan 8.230 nan 0.000 0.485 659 S N 4.425 120.190 115.700 0.108 0.000 2.566 659 S HA 0.101 4.571 4.470 -0.000 0.000 0.280 659 S C -1.195 173.431 174.600 0.042 0.000 1.343 659 S CA -1.001 57.243 58.200 0.074 0.000 1.036 659 S CB 0.727 63.981 63.200 0.091 0.000 0.866 659 S HN 0.512 nan 8.310 nan 0.000 0.526 660 P HA -0.078 nan 4.420 nan 0.000 0.225 660 P C 0.825 178.141 177.300 0.027 0.000 1.148 660 P CA 1.085 64.195 63.100 0.017 0.000 0.779 660 P CB 0.111 31.815 31.700 0.006 0.000 0.780 661 R N -0.398 120.120 120.500 0.030 0.000 2.105 661 R HA 0.032 4.372 4.340 -0.000 0.000 0.214 661 R C 2.460 178.784 176.300 0.039 0.000 1.091 661 R CA 1.671 57.786 56.100 0.026 0.000 1.007 661 R CB -0.962 29.345 30.300 0.012 0.000 0.912 661 R HN 0.242 nan 8.270 nan 0.000 0.450 662 T N -1.146 113.438 114.554 0.050 0.000 3.035 662 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 662 T C 1.823 176.590 174.700 0.110 0.000 1.109 662 T CA 0.793 62.934 62.100 0.067 0.000 1.119 662 T CB 0.008 68.918 68.868 0.070 0.000 0.900 662 T HN 0.181 nan 8.240 nan 0.000 0.503 663 Q N 0.526 120.383 119.800 0.095 0.000 2.224 663 Q HA 0.005 4.345 4.340 -0.000 0.000 0.203 663 Q C 2.127 178.231 176.000 0.173 0.000 0.970 663 Q CA 0.986 56.859 55.803 0.117 0.000 0.865 663 Q CB -0.404 28.365 28.738 0.052 0.000 0.922 663 Q HN 0.651 nan 8.270 nan 0.000 0.445 664 I N 0.251 120.893 120.570 0.121 0.000 2.226 664 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 664 I C 2.110 178.320 176.117 0.154 0.000 1.100 664 I CA 0.671 62.040 61.300 0.115 0.000 1.374 664 I CB -0.119 37.916 38.000 0.059 0.000 1.057 664 I HN 0.309 nan 8.210 nan 0.000 0.413 665 L N -0.492 120.817 121.223 0.143 0.000 2.270 665 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 665 L C 2.296 179.299 176.870 0.222 0.000 1.104 665 L CA 1.423 56.361 54.840 0.163 0.000 0.804 665 L CB -0.724 41.390 42.059 0.091 0.000 0.937 665 L HN 0.203 nan 8.230 nan 0.000 0.450 666 Y N 0.128 120.487 120.300 0.099 0.000 2.145 666 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 666 Y C 2.387 178.341 175.900 0.091 0.000 1.145 666 Y CA 1.973 60.123 58.100 0.084 0.000 1.148 666 Y CB -0.375 38.128 38.460 0.071 0.000 0.981 666 Y HN 0.210 nan 8.280 nan 0.000 0.507 667 A N -0.006 122.974 122.820 0.267 0.000 1.902 667 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 667 A C 2.173 179.808 177.584 0.085 0.000 1.181 667 A CA 1.531 53.666 52.037 0.164 0.000 0.623 667 A CB -1.588 17.529 19.000 0.194 0.000 0.818 667 A HN 0.661 nan 8.150 nan 0.000 0.443 668 F N 0.826 120.784 119.950 0.013 0.000 2.120 668 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 668 F C 2.159 177.945 175.800 -0.024 0.000 1.095 668 F CA 2.154 60.154 58.000 0.001 0.000 1.249 668 F CB -0.272 38.735 39.000 0.011 0.000 0.995 668 F HN 0.036 nan 8.300 nan 0.000 0.480 669 V N 0.742 120.610 119.914 -0.077 0.000 2.346 669 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 669 V C 2.579 178.539 176.094 -0.223 0.000 1.037 669 V CA 1.757 63.948 62.300 -0.181 0.000 1.029 669 V CB -0.590 31.208 31.823 -0.042 0.000 0.663 669 V HN 0.220 nan 8.190 nan 0.000 0.454 670 R N -0.038 120.304 120.500 -0.264 0.000 2.090 670 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 670 R C 2.130 178.338 176.300 -0.153 0.000 1.110 670 R CA 1.072 57.023 56.100 -0.248 0.000 0.973 670 R CB -0.170 29.881 30.300 -0.414 0.000 0.869 670 R HN 0.551 nan 8.270 nan 0.000 0.440 671 E N 0.266 120.384 120.200 -0.136 0.000 2.083 671 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 671 E C 1.958 178.479 176.600 -0.132 0.000 0.950 671 E CA 0.522 56.866 56.400 -0.092 0.000 0.849 671 E CB -0.352 29.327 29.700 -0.035 0.000 0.827 671 E HN 0.091 nan 8.360 nan 0.000 0.465 672 E N 1.434 121.511 120.200 -0.205 0.000 2.023 672 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 672 E C 2.201 178.625 176.600 -0.294 0.000 1.003 672 E CA 0.937 57.180 56.400 -0.262 0.000 0.809 672 E CB -0.262 29.188 29.700 -0.416 0.000 0.755 672 E HN 0.118 nan 8.360 nan 0.000 0.449 673 L N -1.207 119.766 121.223 -0.417 0.000 2.395 673 L HA 0.131 4.471 4.340 -0.000 0.000 0.218 673 L C 1.387 178.173 176.870 -0.140 0.000 1.130 673 L CA 0.482 55.157 54.840 -0.274 0.000 0.826 673 L CB -0.440 41.440 42.059 -0.299 0.000 0.941 673 L HN 0.401 nan 8.230 nan 0.000 0.451 674 G N 0.576 109.296 108.800 -0.132 0.000 2.160 674 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 674 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 674 G C 0.202 175.083 174.900 -0.031 0.000 1.008 674 G CA 0.162 45.220 45.100 -0.069 0.000 0.724 674 G HN 0.158 nan 8.290 nan 0.000 0.514 675 V N 2.308 122.201 119.914 -0.035 0.000 2.322 675 V HA 0.300 4.420 4.120 -0.000 0.000 0.258 675 V C 0.732 176.833 176.094 0.012 0.000 1.074 675 V CA -0.665 61.654 62.300 0.032 0.000 0.909 675 V CB 0.793 32.666 31.823 0.082 0.000 1.090 675 V HN 0.274 nan 8.190 nan 0.000 0.486 676 K N 2.924 123.353 120.400 0.048 0.000 2.117 676 K HA 0.657 4.977 4.320 -0.000 0.000 0.240 676 K C 0.472 177.142 176.600 0.117 0.000 1.031 676 K CA -0.321 56.002 56.287 0.060 0.000 0.909 676 K CB 0.781 33.342 32.500 0.102 0.000 1.097 676 K HN 0.569 nan 8.250 nan 0.000 0.492 677 A N 0.864 123.792 122.820 0.180 0.000 2.366 677 A HA 0.224 4.544 4.320 -0.000 0.000 0.249 677 A C 0.103 177.967 177.584 0.467 0.000 1.084 677 A CA -0.145 52.064 52.037 0.287 0.000 0.794 677 A CB 0.231 19.423 19.000 0.320 0.000 1.034 677 A HN 0.585 nan 8.150 nan 0.000 0.491 678 R N 0.637 121.371 120.500 0.388 0.000 2.346 678 R HA 0.352 4.692 4.340 -0.000 0.000 0.311 678 R C 0.811 177.152 176.300 0.069 0.000 0.983 678 R CA -0.588 55.604 56.100 0.154 0.000 0.880 678 R CB 0.838 31.056 30.300 -0.137 0.000 1.100 678 R HN 0.918 nan 8.270 nan 0.000 0.453 679 R N 1.873 122.191 120.500 -0.304 0.000 2.112 679 R HA 0.148 4.488 4.340 -0.000 0.000 0.216 679 R C -0.173 175.942 176.300 -0.309 0.000 1.080 679 R CA 0.989 56.704 56.100 -0.642 0.000 0.996 679 R CB 0.444 30.049 30.300 -1.159 0.000 0.902 679 R HN 0.886 nan 8.270 nan 0.000 0.449 680 G N 0.388 109.074 108.800 -0.190 0.000 2.634 680 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.568 680 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.568 680 G C -0.979 173.903 174.900 -0.029 0.000 1.495 680 G CA -0.554 44.489 45.100 -0.096 0.000 0.903 680 G HN 0.074 nan 8.290 nan 0.000 0.646 681 D N 0.505 120.884 120.400 -0.034 0.000 2.097 681 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 681 D C 2.740 179.032 176.300 -0.013 0.000 0.984 681 D CA 1.604 55.591 54.000 -0.022 0.000 0.826 681 D CB 0.107 40.897 40.800 -0.016 0.000 0.973 681 D HN 0.340 nan 8.370 nan 0.000 0.460 682 V N 0.453 120.367 119.914 -0.000 0.000 2.427 682 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 682 V C 2.004 178.103 176.094 0.008 0.000 1.051 682 V CA 1.081 63.380 62.300 -0.002 0.000 1.048 682 V CB -0.488 31.335 31.823 -0.000 0.000 0.666 682 V HN 0.126 nan 8.190 nan 0.000 0.456 683 F N 0.389 120.280 119.950 -0.099 0.000 2.206 683 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 683 F C 1.799 177.534 175.800 -0.110 0.000 1.090 683 F CA 1.519 59.455 58.000 -0.107 0.000 1.323 683 F CB -0.001 38.915 39.000 -0.141 0.000 1.028 683 F HN 0.034 nan 8.300 nan 0.000 0.492 684 L N -0.198 120.972 121.223 -0.088 0.000 2.591 684 L HA 0.224 4.564 4.340 -0.000 0.000 0.228 684 L C 1.832 178.615 176.870 -0.146 0.000 1.133 684 L CA 0.558 55.306 54.840 -0.153 0.000 0.880 684 L CB -1.056 40.965 42.059 -0.064 0.000 1.033 684 L HN 0.394 nan 8.230 nan 0.000 0.450 685 G N 0.774 109.495 108.800 -0.133 0.000 2.200 685 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.268 685 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.268 685 G C 0.322 175.182 174.900 -0.066 0.000 0.986 685 G CA 0.683 45.723 45.100 -0.100 0.000 0.677 685 G HN 0.441 nan 8.290 nan 0.000 0.532 686 K N -0.667 119.699 120.400 -0.056 0.000 2.469 686 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 686 K C -0.412 176.171 176.600 -0.027 0.000 0.939 686 K CA -0.709 55.555 56.287 -0.038 0.000 0.812 686 K CB 1.661 34.139 32.500 -0.037 0.000 1.301 686 K HN 0.181 nan 8.250 nan 0.000 0.433 687 Q N 2.585 122.374 119.800 -0.018 0.000 2.441 687 Q HA 0.089 4.429 4.340 -0.000 0.000 0.234 687 Q C -0.516 175.480 176.000 -0.006 0.000 1.078 687 Q CA -0.123 55.674 55.803 -0.010 0.000 0.907 687 Q CB 0.708 29.444 28.738 -0.005 0.000 1.269 687 Q HN 0.390 nan 8.270 nan 0.000 0.502 688 E N 0.653 120.849 120.200 -0.006 0.000 2.605 688 E HA 0.161 4.511 4.350 -0.000 0.000 0.255 688 E C 0.267 176.873 176.600 0.011 0.000 1.369 688 E CA -0.653 55.748 56.400 0.003 0.000 1.017 688 E CB 0.434 30.136 29.700 0.004 0.000 1.086 688 E HN 0.358 nan 8.360 nan 0.000 0.605 689 V N -0.841 119.085 119.914 0.019 0.000 2.928 689 V HA -0.020 4.100 4.120 -0.000 0.000 0.307 689 V C 0.557 176.667 176.094 0.027 0.000 1.105 689 V CA -0.193 62.121 62.300 0.023 0.000 1.223 689 V CB -0.140 31.701 31.823 0.031 0.000 0.930 689 V HN 0.798 nan 8.190 nan 0.000 0.499 690 T N 1.878 116.444 114.554 0.021 0.000 2.900 690 T HA 0.346 4.696 4.350 -0.000 0.000 0.307 690 T C 1.117 175.828 174.700 0.018 0.000 1.065 690 T CA 0.139 62.250 62.100 0.018 0.000 1.105 690 T CB 0.585 69.459 68.868 0.010 0.000 0.979 690 T HN 0.579 nan 8.240 nan 0.000 0.544 691 I N 2.111 122.691 120.570 0.017 0.000 2.194 691 I HA -0.135 4.035 4.170 -0.000 0.000 0.246 691 I C 2.834 178.874 176.117 -0.128 0.000 1.093 691 I CA 1.834 63.119 61.300 -0.025 0.000 1.355 691 I CB -1.003 37.004 38.000 0.012 0.000 1.046 691 I HN 0.974 nan 8.210 nan 0.000 0.413 692 G N -0.468 108.288 108.800 -0.073 0.000 2.446 692 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 692 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 692 G C 1.760 176.632 174.900 -0.047 0.000 1.168 692 G CA 1.118 46.176 45.100 -0.070 0.000 0.771 692 G HN 0.376 nan 8.290 nan 0.000 0.551 693 S N 0.312 116.002 115.700 -0.017 0.000 2.383 693 S HA -0.142 4.327 4.470 -0.000 0.000 0.229 693 S C 2.323 176.934 174.600 0.018 0.000 1.030 693 S CA 1.566 59.770 58.200 0.008 0.000 1.002 693 S CB -0.331 62.880 63.200 0.017 0.000 0.829 693 S HN 0.446 nan 8.310 nan 0.000 0.467 694 N N 0.616 119.322 118.700 0.011 0.000 2.207 694 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 694 N C 1.792 177.320 175.510 0.031 0.000 1.020 694 N CA 1.261 54.343 53.050 0.054 0.000 0.858 694 N CB -0.510 38.067 38.487 0.150 0.000 0.991 694 N HN 0.249 nan 8.380 nan 0.000 0.427 695 V N 1.421 121.276 119.914 -0.098 0.000 2.469 695 V HA -0.186 3.934 4.120 -0.000 0.000 0.251 695 V C 2.241 178.367 176.094 0.054 0.000 1.064 695 V CA 1.429 63.688 62.300 -0.069 0.000 1.066 695 V CB -0.607 31.122 31.823 -0.155 0.000 0.667 695 V HN 0.253 nan 8.190 nan 0.000 0.461 696 S N -0.523 115.206 115.700 0.047 0.000 2.382 696 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 696 S C 1.978 176.671 174.600 0.155 0.000 1.027 696 S CA 1.439 59.710 58.200 0.119 0.000 0.991 696 S CB -0.247 62.998 63.200 0.075 0.000 0.823 696 S HN 0.621 nan 8.310 nan 0.000 0.469 697 K N 0.821 121.281 120.400 0.099 0.000 2.097 697 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 697 K C 1.944 178.602 176.600 0.096 0.000 1.050 697 K CA 1.074 57.408 56.287 0.077 0.000 0.938 697 K CB -0.295 32.233 32.500 0.045 0.000 0.718 697 K HN 0.346 nan 8.250 nan 0.000 0.442 698 I N 0.110 120.757 120.570 0.129 0.000 2.252 698 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 698 I C 2.409 178.630 176.117 0.174 0.000 1.102 698 I CA 1.178 62.572 61.300 0.157 0.000 1.385 698 I CB -0.334 37.776 38.000 0.184 0.000 1.064 698 I HN 0.145 nan 8.210 nan 0.000 0.414 699 Y N 2.160 122.492 120.300 0.052 0.000 2.128 699 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 699 Y C 2.401 178.323 175.900 0.036 0.000 1.154 699 Y CA 1.739 59.857 58.100 0.031 0.000 1.149 699 Y CB -0.402 38.057 38.460 -0.002 0.000 0.976 699 Y HN 0.172 nan 8.280 nan 0.000 0.505 700 E N -0.041 120.108 120.200 -0.085 0.000 2.153 700 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 700 E C 2.290 178.832 176.600 -0.097 0.000 0.988 700 E CA 0.865 57.162 56.400 -0.172 0.000 0.811 700 E CB -0.296 29.392 29.700 -0.020 0.000 0.746 700 E HN 0.597 nan 8.360 nan 0.000 0.466 701 A N 0.867 123.692 122.820 0.007 0.000 2.014 701 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 701 A C 2.079 179.695 177.584 0.053 0.000 1.163 701 A CA 0.776 52.868 52.037 0.093 0.000 0.652 701 A CB -0.303 18.833 19.000 0.227 0.000 0.808 701 A HN 0.120 nan 8.150 nan 0.000 0.449 702 I N -0.825 119.739 120.570 -0.009 0.000 2.277 702 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 702 I C 2.172 178.233 176.117 -0.093 0.000 1.094 702 I CA 0.891 62.173 61.300 -0.031 0.000 1.393 702 I CB -0.170 37.828 38.000 -0.004 0.000 1.078 702 I HN 0.110 nan 8.210 nan 0.000 0.417 703 K N 0.882 121.141 120.400 -0.235 0.000 2.148 703 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 703 K C 2.167 178.697 176.600 -0.116 0.000 1.050 703 K CA 1.697 57.844 56.287 -0.233 0.000 0.942 703 K CB -0.523 31.705 32.500 -0.454 0.000 0.724 703 K HN 0.400 nan 8.250 nan 0.000 0.446 704 S N -0.703 114.943 115.700 -0.089 0.000 2.522 704 S HA 0.054 4.524 4.470 -0.000 0.000 0.227 704 S C 1.505 176.106 174.600 0.000 0.000 0.986 704 S CA 0.870 59.050 58.200 -0.034 0.000 0.929 704 S CB -0.052 63.139 63.200 -0.015 0.000 0.769 704 S HN 0.411 nan 8.310 nan 0.000 0.529 705 G N 1.647 110.451 108.800 0.006 0.000 2.176 705 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.253 705 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.253 705 G C 0.907 175.817 174.900 0.016 0.000 0.979 705 G CA 0.327 45.445 45.100 0.029 0.000 0.641 705 G HN 0.450 nan 8.290 nan 0.000 0.530 706 R N 0.088 120.609 120.500 0.035 0.000 2.159 706 R HA 0.097 4.437 4.340 -0.000 0.000 0.237 706 R C 2.417 178.691 176.300 -0.042 0.000 1.131 706 R CA 1.552 57.690 56.100 0.063 0.000 0.982 706 R CB -0.243 30.162 30.300 0.174 0.000 0.868 706 R HN 0.641 nan 8.270 nan 0.000 0.453 707 I N 0.531 121.043 120.570 -0.097 0.000 2.876 707 I HA -0.180 3.990 4.170 -0.000 0.000 0.264 707 I C 1.171 177.138 176.117 -0.250 0.000 1.204 707 I CA 0.710 61.817 61.300 -0.321 0.000 1.485 707 I CB -0.065 37.838 38.000 -0.161 0.000 1.103 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