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_F DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAXXX XXTTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXXXXXXXED 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 EGSRFAVHHX XXXXXXXXXX XXRQDRYPLR 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 0.021 0.000 1.055 27 S CA 0.000 58.216 58.200 0.026 0.000 1.107 27 S CB 0.000 63.216 63.200 0.026 0.000 0.593 28 T N 1.711 116.272 114.554 0.012 0.000 3.215 28 T HA 0.356 4.706 4.350 -0.000 0.000 0.271 28 T C 0.913 175.615 174.700 0.003 0.000 1.012 28 T CA 0.376 62.480 62.100 0.008 0.000 0.899 28 T CB -0.820 68.050 68.868 0.003 0.000 1.089 28 T HN 0.478 nan 8.240 nan 0.000 0.552 29 N N 0.662 119.364 118.700 0.004 0.000 2.309 29 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 29 N C 1.255 176.760 175.510 -0.009 0.000 1.018 29 N CA 0.922 53.971 53.050 -0.003 0.000 0.876 29 N CB -0.024 38.462 38.487 -0.002 0.000 0.972 29 N HN 0.464 nan 8.380 nan 0.000 0.434 30 L N -2.029 119.191 121.223 -0.004 0.000 4.733 30 L HA -0.338 4.002 4.340 -0.000 0.000 0.388 30 L C 1.296 178.146 176.870 -0.034 0.000 0.773 30 L CA 1.102 55.935 54.840 -0.011 0.000 2.353 30 L CB -1.409 40.641 42.059 -0.015 0.000 1.139 30 L HN 0.228 nan 8.230 nan 0.000 0.635 31 A N -1.075 121.721 122.820 -0.040 0.000 2.238 31 A HA 0.303 4.623 4.320 -0.000 0.000 0.208 31 A C 1.674 179.215 177.584 -0.071 0.000 1.177 31 A CA 1.503 53.497 52.037 -0.072 0.000 0.804 31 A CB 0.333 19.298 19.000 -0.057 0.000 0.823 31 A HN 0.352 nan 8.150 nan 0.000 0.482 32 V N -2.611 117.294 119.914 -0.014 0.000 3.350 32 V HA 0.571 4.691 4.120 -0.000 0.000 0.246 32 V C 0.865 177.038 176.094 0.132 0.000 1.363 32 V CA 0.973 63.305 62.300 0.053 0.000 1.162 32 V CB 0.334 32.184 31.823 0.045 0.000 0.947 32 V HN 0.529 nan 8.190 nan 0.000 0.454 40 T N 0.671 115.229 114.554 0.007 0.000 3.148 40 T HA 0.158 4.508 4.350 -0.000 0.000 0.253 40 T C 1.469 176.168 174.700 -0.002 0.000 1.134 40 T CA 0.775 62.878 62.100 0.005 0.000 1.051 40 T CB 0.224 69.095 68.868 0.004 0.000 0.959 40 T HN 0.278 nan 8.240 nan 0.000 0.525 41 Q N 1.029 120.827 119.800 -0.004 0.000 2.354 41 Q HA 0.256 4.596 4.340 -0.000 0.000 0.203 41 Q C 0.236 176.225 176.000 -0.017 0.000 0.933 41 Q CA 0.297 56.094 55.803 -0.009 0.000 0.901 41 Q CB 0.319 29.052 28.738 -0.008 0.000 1.007 41 Q HN 0.409 nan 8.270 nan 0.000 0.495 42 V N 0.974 120.875 119.914 -0.021 0.000 2.623 42 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 42 V C -0.736 175.332 176.094 -0.043 0.000 1.054 42 V CA 0.026 62.304 62.300 -0.037 0.000 0.882 42 V CB 1.782 33.578 31.823 -0.045 0.000 1.002 42 V HN 0.426 nan 8.190 nan 0.000 0.424 43 T N 1.952 116.472 114.554 -0.058 0.000 2.937 43 T HA 0.361 4.711 4.350 -0.000 0.000 0.283 43 T C 0.777 175.416 174.700 -0.101 0.000 1.012 43 T CA 0.176 62.241 62.100 -0.059 0.000 0.997 43 T CB 1.706 70.546 68.868 -0.047 0.000 1.136 43 T HN 0.690 nan 8.240 nan 0.000 0.551 44 Q N -0.134 119.612 119.800 -0.090 0.000 2.119 44 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 44 Q C 2.195 178.089 176.000 -0.177 0.000 0.972 44 Q CA 2.019 57.738 55.803 -0.141 0.000 0.847 44 Q CB -0.483 28.226 28.738 -0.047 0.000 0.903 44 Q HN 0.715 nan 8.270 nan 0.000 0.433 45 V N -1.278 118.567 119.914 -0.116 0.000 2.343 45 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 45 V C 1.454 177.474 176.094 -0.123 0.000 1.051 45 V CA 2.118 64.353 62.300 -0.109 0.000 1.036 45 V CB -0.763 31.015 31.823 -0.075 0.000 0.654 45 V HN 0.199 nan 8.190 nan 0.000 0.451 46 D N 0.895 121.224 120.400 -0.117 0.000 2.092 46 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 46 D C 2.122 178.327 176.300 -0.158 0.000 0.994 46 D CA 2.177 56.110 54.000 -0.112 0.000 0.828 46 D CB -0.349 40.393 40.800 -0.096 0.000 0.963 46 D HN 0.527 nan 8.370 nan 0.000 0.450 47 I N 0.282 120.705 120.570 -0.244 0.000 2.179 47 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 47 I C 2.310 178.236 176.117 -0.319 0.000 1.088 47 I CA 0.666 61.745 61.300 -0.368 0.000 1.357 47 I CB -0.174 37.431 38.000 -0.659 0.000 1.051 47 I HN -0.086 nan 8.210 nan 0.000 0.409 48 V N 0.607 120.333 119.914 -0.313 0.000 2.515 48 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 48 V C 2.435 178.454 176.094 -0.126 0.000 1.058 48 V CA 1.811 63.975 62.300 -0.227 0.000 1.064 48 V CB -0.638 31.066 31.823 -0.198 0.000 0.675 48 V HN 0.479 nan 8.190 nan 0.000 0.461 49 E N -0.045 120.088 120.200 -0.112 0.000 2.106 49 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 49 E C 1.340 177.912 176.600 -0.048 0.000 0.984 49 E CA 0.619 56.977 56.400 -0.070 0.000 0.806 49 E CB 0.211 29.872 29.700 -0.065 0.000 0.750 49 E HN 0.363 nan 8.360 nan 0.000 0.458 53 A N 1.078 123.909 122.820 0.018 0.000 2.238 53 A HA 0.540 4.860 4.320 -0.000 0.000 0.208 53 A C 1.177 178.770 177.584 0.015 0.000 1.177 53 A CA 0.713 52.756 52.037 0.011 0.000 0.804 53 A CB -0.324 18.677 19.000 0.003 0.000 0.823 53 A HN 0.287 nan 8.150 nan 0.000 0.482 54 A N 1.305 124.139 122.820 0.024 0.000 2.520 54 A HA 0.485 4.805 4.320 -0.000 0.000 0.245 54 A C -2.270 175.321 177.584 0.012 0.000 1.072 54 A CA -0.881 51.168 52.037 0.019 0.000 0.761 54 A CB -0.416 18.599 19.000 0.024 0.000 1.004 54 A HN 0.267 nan 8.150 nan 0.000 0.499 55 P HA 0.187 nan 4.420 nan 0.000 0.271 55 P C 0.834 178.135 177.300 0.002 0.000 1.216 55 P CA 0.245 63.348 63.100 0.006 0.000 0.776 55 P CB 0.825 32.527 31.700 0.004 0.000 0.881 56 T N -3.481 111.075 114.554 0.003 0.000 2.975 56 T HA 0.137 4.487 4.350 -0.000 0.000 0.257 56 T C 0.651 175.351 174.700 0.000 0.000 1.003 56 T CA 0.180 62.279 62.100 -0.001 0.000 0.932 56 T CB -0.106 68.762 68.868 0.001 0.000 1.087 56 T HN 0.060 nan 8.240 nan 0.000 0.512 57 D N 1.741 122.142 120.400 0.002 0.000 2.490 57 D HA 0.215 4.855 4.640 -0.000 0.000 0.244 57 D C 0.987 177.288 176.300 0.001 0.000 0.979 57 D CA 0.399 54.401 54.000 0.003 0.000 0.924 57 D CB -0.053 40.751 40.800 0.006 0.000 1.075 57 D HN 0.398 nan 8.370 nan 0.000 0.488 58 S N 0.384 116.085 115.700 0.002 0.000 2.562 58 S HA 0.113 4.583 4.470 -0.000 0.000 0.281 58 S C 0.213 174.812 174.600 -0.002 0.000 1.333 58 S CA -0.272 57.928 58.200 0.001 0.000 1.052 58 S CB 0.371 63.573 63.200 0.002 0.000 0.884 58 S HN 0.008 nan 8.310 nan 0.000 0.506 59 T N 5.328 119.880 114.554 -0.003 0.000 2.902 59 T HA 0.118 4.468 4.350 -0.000 0.000 0.301 59 T C 0.114 174.811 174.700 -0.006 0.000 1.012 59 T CA -0.040 62.056 62.100 -0.007 0.000 1.151 59 T CB 0.045 68.909 68.868 -0.007 0.000 0.946 59 T HN 0.608 nan 8.240 nan 0.000 0.542 60 L N 4.410 125.627 121.223 -0.009 0.000 2.283 60 L HA 0.300 4.640 4.340 -0.000 0.000 0.287 60 L C 0.126 176.992 176.870 -0.007 0.000 1.073 60 L CA -0.403 54.432 54.840 -0.007 0.000 0.822 60 L CB 0.293 42.345 42.059 -0.011 0.000 1.186 60 L HN 0.682 nan 8.230 nan 0.000 0.436 61 E N 6.323 126.522 120.200 -0.002 0.000 2.146 61 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 61 E C -0.999 175.602 176.600 0.002 0.000 0.989 61 E CA -0.553 55.846 56.400 -0.001 0.000 0.799 61 E CB 1.861 31.563 29.700 0.003 0.000 1.088 61 E HN 0.582 nan 8.360 nan 0.000 0.397 62 L N 3.654 124.875 121.223 -0.003 0.000 2.276 62 L HA 0.185 4.525 4.340 -0.000 0.000 0.286 62 L C 0.645 177.519 176.870 0.006 0.000 1.061 62 L CA -0.255 54.582 54.840 -0.005 0.000 0.807 62 L CB 0.596 42.644 42.059 -0.019 0.000 1.177 62 L HN 0.629 nan 8.230 nan 0.000 0.429 63 D N 0.425 120.840 120.400 0.025 0.000 2.479 63 D HA 0.136 4.776 4.640 -0.000 0.000 0.216 63 D C 1.166 177.521 176.300 0.090 0.000 1.110 63 D CA 0.548 54.587 54.000 0.065 0.000 0.841 63 D CB 0.907 41.764 40.800 0.095 0.000 1.040 63 D HN 0.656 nan 8.370 nan 0.000 0.505 64 G N -0.327 108.466 108.800 -0.011 0.000 2.159 64 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.227 64 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.227 64 G C 0.238 174.815 174.900 -0.538 0.000 0.986 64 G CA 0.415 45.377 45.100 -0.229 0.000 0.651 64 G HN 0.366 nan 8.290 nan 0.000 0.523 65 Y N -0.479 119.808 120.300 -0.021 0.000 2.449 65 Y HA 0.209 4.759 4.550 -0.000 0.000 0.283 65 Y C 2.247 178.140 175.900 -0.011 0.000 1.079 65 Y CA 0.729 58.821 58.100 -0.014 0.000 1.099 65 Y CB -0.012 38.440 38.460 -0.013 0.000 1.354 65 Y HN 0.468 nan 8.280 nan 0.000 0.569 66 S N 0.161 115.938 115.700 0.128 0.000 2.556 66 S HA 0.178 4.648 4.470 -0.000 0.000 0.216 66 S C 0.281 174.902 174.600 0.036 0.000 0.970 66 S CA -0.245 58.000 58.200 0.074 0.000 0.912 66 S CB -0.218 63.021 63.200 0.064 0.000 0.790 66 S HN 0.184 nan 8.310 nan 0.000 0.504 67 L N 4.331 125.563 121.223 0.015 0.000 2.462 67 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 67 L C -0.219 176.651 176.870 -0.001 0.000 1.166 67 L CA 0.008 54.847 54.840 -0.001 0.000 0.880 67 L CB -0.023 42.023 42.059 -0.022 0.000 1.142 67 L HN 0.457 nan 8.230 nan 0.000 0.473 68 N N 3.379 122.084 118.700 0.007 0.000 2.525 68 N HA 0.326 5.066 4.740 -0.000 0.000 0.288 68 N C 0.427 175.938 175.510 0.003 0.000 1.242 68 N CA -0.814 52.244 53.050 0.013 0.000 0.905 68 N CB 0.361 38.875 38.487 0.044 0.000 1.258 68 N HN 0.353 nan 8.380 nan 0.000 0.551 69 L N -0.196 121.024 121.223 -0.005 0.000 2.131 69 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 69 L C 2.295 179.195 176.870 0.050 0.000 1.092 69 L CA 1.947 56.782 54.840 -0.010 0.000 0.759 69 L CB -1.349 40.660 42.059 -0.085 0.000 0.903 69 L HN 0.948 nan 8.230 nan 0.000 0.435 70 G N -1.187 107.663 108.800 0.084 0.000 2.408 70 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 70 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 70 G C 1.316 176.233 174.900 0.028 0.000 1.150 70 G CA 0.658 45.807 45.100 0.082 0.000 0.776 70 G HN 0.314 nan 8.290 nan 0.000 0.542 71 D N 0.389 120.800 120.400 0.017 0.000 2.097 71 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 71 D C 2.845 179.135 176.300 -0.017 0.000 0.989 71 D CA 0.942 54.942 54.000 -0.000 0.000 0.827 71 D CB -0.532 40.268 40.800 0.000 0.000 0.966 71 D HN 0.185 nan 8.370 nan 0.000 0.456 72 V N 0.974 120.876 119.914 -0.021 0.000 2.252 72 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 72 V C 2.747 178.809 176.094 -0.053 0.000 1.056 72 V CA 1.346 63.625 62.300 -0.035 0.000 1.022 72 V CB -0.774 31.028 31.823 -0.036 0.000 0.641 72 V HN 0.050 nan 8.190 nan 0.000 0.445 73 V N 1.228 121.098 119.914 -0.072 0.000 2.287 73 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 73 V C 2.748 178.774 176.094 -0.113 0.000 1.053 73 V CA 2.453 64.667 62.300 -0.144 0.000 1.027 73 V CB -1.104 30.550 31.823 -0.282 0.000 0.646 73 V HN 0.783 nan 8.190 nan 0.000 0.447 74 S N 1.060 116.718 115.700 -0.070 0.000 2.382 74 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 74 S C 2.065 176.641 174.600 -0.041 0.000 1.027 74 S CA 1.393 59.565 58.200 -0.047 0.000 0.991 74 S CB -0.537 62.650 63.200 -0.023 0.000 0.823 74 S HN 0.598 nan 8.310 nan 0.000 0.469 75 A N 2.061 124.858 122.820 -0.038 0.000 1.897 75 A HA 0.437 4.757 4.320 -0.000 0.000 0.215 75 A C 2.546 180.107 177.584 -0.037 0.000 1.181 75 A CA 1.515 53.532 52.037 -0.033 0.000 0.620 75 A CB -1.434 17.548 19.000 -0.030 0.000 0.821 75 A HN 0.835 nan 8.150 nan 0.000 0.443 76 A N -0.521 122.270 122.820 -0.048 0.000 1.898 76 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 76 A C 2.266 179.818 177.584 -0.054 0.000 1.181 76 A CA 1.588 53.595 52.037 -0.051 0.000 0.620 76 A CB -0.278 18.686 19.000 -0.060 0.000 0.819 76 A HN 0.519 nan 8.150 nan 0.000 0.442 77 R N -1.389 119.072 120.500 -0.065 0.000 2.250 77 R HA 0.122 4.462 4.340 -0.000 0.000 0.194 77 R C 0.480 176.756 176.300 -0.041 0.000 0.927 77 R CA 0.362 56.426 56.100 -0.059 0.000 1.052 77 R CB 0.255 30.505 30.300 -0.084 0.000 1.055 77 R HN 0.173 nan 8.270 nan 0.000 0.537 78 K N 0.189 120.567 120.400 -0.038 0.000 2.493 78 K HA 0.224 4.544 4.320 -0.000 0.000 0.207 78 K C 0.583 177.174 176.600 -0.014 0.000 1.033 78 K CA 0.380 56.654 56.287 -0.022 0.000 1.161 78 K CB 0.986 33.474 32.500 -0.020 0.000 0.873 78 K HN 0.289 nan 8.250 nan 0.000 0.491 79 G N 2.718 111.509 108.800 -0.016 0.000 2.269 79 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.277 79 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.277 79 G C 0.204 175.095 174.900 -0.014 0.000 1.008 79 G CA 0.637 45.730 45.100 -0.011 0.000 0.774 79 G HN 0.472 nan 8.290 nan 0.000 0.511 80 R N 0.520 121.010 120.500 -0.017 0.000 2.522 80 R HA 0.297 4.637 4.340 -0.000 0.000 0.284 80 R C -2.033 174.254 176.300 -0.022 0.000 1.032 80 R CA -1.155 54.935 56.100 -0.016 0.000 1.049 80 R CB 0.347 30.638 30.300 -0.016 0.000 0.956 80 R HN 0.080 nan 8.270 nan 0.000 0.422 81 P HA -0.018 nan 4.420 nan 0.000 0.268 81 P C -1.110 176.172 177.300 -0.030 0.000 1.205 81 P CA -0.108 62.972 63.100 -0.034 0.000 0.771 81 P CB 0.880 32.561 31.700 -0.031 0.000 0.858 82 V N 4.365 124.258 119.914 -0.036 0.000 2.864 82 V HA 0.689 4.809 4.120 -0.000 0.000 0.314 82 V C 0.108 176.185 176.094 -0.028 0.000 1.073 82 V CA -0.546 61.737 62.300 -0.028 0.000 0.956 82 V CB 2.037 33.844 31.823 -0.027 0.000 1.023 82 V HN 0.519 nan 8.190 nan 0.000 0.435 83 R N 0.825 121.313 120.500 -0.021 0.000 2.664 83 R HA 0.503 4.843 4.340 -0.000 0.000 0.260 83 R C -1.849 174.443 176.300 -0.012 0.000 1.062 83 R CA -0.553 55.537 56.100 -0.017 0.000 0.902 83 R CB 2.265 32.557 30.300 -0.014 0.000 1.258 83 R HN 0.586 nan 8.270 nan 0.000 0.465 84 V N 3.564 123.472 119.914 -0.011 0.000 2.555 84 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 84 V C 0.123 176.215 176.094 -0.003 0.000 1.044 84 V CA -0.010 62.285 62.300 -0.009 0.000 1.026 84 V CB 1.002 32.819 31.823 -0.010 0.000 0.981 84 V HN 0.699 nan 8.190 nan 0.000 0.480 85 K N 4.766 125.167 120.400 0.001 0.000 2.511 85 K HA -0.051 4.269 4.320 -0.000 0.000 0.280 85 K C -0.086 176.516 176.600 0.004 0.000 1.008 85 K CA -0.005 56.284 56.287 0.004 0.000 1.050 85 K CB 0.192 32.699 32.500 0.010 0.000 0.889 85 K HN 0.855 nan 8.250 nan 0.000 0.484 86 D N 2.577 122.979 120.400 0.004 0.000 2.344 86 D HA 0.078 4.718 4.640 -0.000 0.000 0.253 86 D C -1.290 175.013 176.300 0.004 0.000 1.255 86 D CA 0.513 54.515 54.000 0.004 0.000 0.894 86 D CB 0.386 41.189 40.800 0.005 0.000 1.067 86 D HN 0.426 nan 8.370 nan 0.000 0.492 87 S N 3.034 118.737 115.700 0.004 0.000 2.563 87 S HA 0.165 4.635 4.470 -0.000 0.000 0.279 87 S C 0.125 174.727 174.600 0.003 0.000 1.155 87 S CA -0.769 57.433 58.200 0.003 0.000 0.928 87 S CB 1.146 64.349 63.200 0.004 0.000 1.107 87 S HN 0.208 nan 8.310 nan 0.000 0.462 88 D N 2.701 123.102 120.400 0.002 0.000 2.178 88 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 88 D C 1.451 177.751 176.300 0.001 0.000 0.974 88 D CA 1.233 55.234 54.000 0.002 0.000 0.841 88 D CB 0.151 40.952 40.800 0.002 0.000 0.953 88 D HN 0.669 nan 8.370 nan 0.000 0.478 89 E N 0.344 120.543 120.200 -0.002 0.000 2.110 89 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 89 E C 2.192 178.792 176.600 -0.001 0.000 0.988 89 E CA 0.500 56.897 56.400 -0.004 0.000 0.804 89 E CB -0.146 29.548 29.700 -0.010 0.000 0.745 89 E HN 0.356 nan 8.360 nan 0.000 0.458 90 I N 0.261 120.833 120.570 0.002 0.000 2.233 90 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 90 I C 2.323 178.440 176.117 -0.000 0.000 1.093 90 I CA 0.908 62.211 61.300 0.004 0.000 1.380 90 I CB -0.171 37.834 38.000 0.008 0.000 1.067 90 I HN 0.016 nan 8.210 nan 0.000 0.413 91 R N 0.687 121.188 120.500 0.001 0.000 2.096 91 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 91 R C 2.576 178.879 176.300 0.004 0.000 1.127 91 R CA 1.862 57.963 56.100 0.003 0.000 0.968 91 R CB -0.352 29.951 30.300 0.004 0.000 0.861 91 R HN 0.478 nan 8.270 nan 0.000 0.440 92 S N 1.497 117.200 115.700 0.004 0.000 2.371 92 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 92 S C 1.884 176.488 174.600 0.006 0.000 1.029 92 S CA 1.230 59.434 58.200 0.006 0.000 0.978 92 S CB -0.163 63.039 63.200 0.004 0.000 0.833 92 S HN 0.418 nan 8.310 nan 0.000 0.466 93 K N 1.155 121.555 120.400 -0.000 0.000 2.211 93 K HA 0.090 4.410 4.320 -0.000 0.000 0.203 93 K C 2.026 178.624 176.600 -0.003 0.000 1.050 93 K CA 1.279 57.563 56.287 -0.004 0.000 0.945 93 K CB -0.568 31.924 32.500 -0.013 0.000 0.732 93 K HN 0.422 nan 8.250 nan 0.000 0.451 94 I N 2.193 122.762 120.570 -0.003 0.000 2.193 94 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 94 I C 1.567 177.695 176.117 0.018 0.000 1.084 94 I CA 1.325 62.626 61.300 0.001 0.000 1.365 94 I CB -0.335 37.663 38.000 -0.003 0.000 1.064 94 I HN 0.166 nan 8.210 nan 0.000 0.410 95 D N 1.009 121.420 120.400 0.019 0.000 2.097 95 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 95 D C 2.028 178.353 176.300 0.043 0.000 0.989 95 D CA 1.211 55.228 54.000 0.028 0.000 0.827 95 D CB -0.354 40.459 40.800 0.022 0.000 0.966 95 D HN 0.179 nan 8.370 nan 0.000 0.456 96 K N 0.317 120.740 120.400 0.038 0.000 2.281 96 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 96 K C 2.048 178.696 176.600 0.080 0.000 1.046 96 K CA 0.895 57.213 56.287 0.051 0.000 0.938 96 K CB 0.012 32.527 32.500 0.024 0.000 0.737 96 K HN -0.057 nan 8.250 nan 0.000 0.458 97 S N -0.721 115.020 115.700 0.069 0.000 2.406 97 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 97 S C 1.669 176.352 174.600 0.138 0.000 1.030 97 S CA 0.561 58.821 58.200 0.099 0.000 0.958 97 S CB 0.144 63.382 63.200 0.063 0.000 0.811 97 S HN 0.148 nan 8.310 nan 0.000 0.489 98 V N 3.081 123.050 119.914 0.092 0.000 2.453 98 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 98 V C 2.497 178.639 176.094 0.081 0.000 1.048 98 V CA 1.923 64.268 62.300 0.076 0.000 1.049 98 V CB -0.687 31.163 31.823 0.045 0.000 0.672 98 V HN 0.707 nan 8.190 nan 0.000 0.457 99 E N -0.209 120.046 120.200 0.091 0.000 2.150 99 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 99 E C 2.205 178.870 176.600 0.109 0.000 0.985 99 E CA 1.338 57.786 56.400 0.080 0.000 0.814 99 E CB -0.523 29.222 29.700 0.075 0.000 0.752 99 E HN 0.504 nan 8.360 nan 0.000 0.466 100 F N 1.637 121.593 119.950 0.010 0.000 2.161 100 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 100 F C 1.834 177.638 175.800 0.006 0.000 1.089 100 F CA 1.088 59.093 58.000 0.009 0.000 1.282 100 F CB -0.009 38.998 39.000 0.012 0.000 1.010 100 F HN -0.029 nan 8.300 nan 0.000 0.485 101 L N 0.014 121.237 121.223 0.000 0.000 2.240 101 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 101 L C 2.531 179.345 176.870 -0.093 0.000 1.106 101 L CA 0.888 55.676 54.840 -0.087 0.000 0.793 101 L CB -0.923 41.146 42.059 0.016 0.000 0.927 101 L HN 0.016 nan 8.230 nan 0.000 0.446 102 R N 0.472 120.942 120.500 -0.049 0.000 2.080 102 R HA -0.104 4.236 4.340 -0.000 0.000 0.236 102 R C 1.393 177.647 176.300 -0.076 0.000 1.137 102 R CA 1.802 57.877 56.100 -0.042 0.000 0.943 102 R CB -0.594 29.698 30.300 -0.014 0.000 0.846 102 R HN 0.479 nan 8.270 nan 0.000 0.431 103 S N 1.900 117.533 115.700 -0.112 0.000 3.324 103 S HA 0.124 4.594 4.470 -0.000 0.000 0.229 103 S C -0.107 174.360 174.600 -0.221 0.000 1.417 103 S CA -0.607 57.512 58.200 -0.135 0.000 1.211 103 S CB -0.093 63.041 63.200 -0.110 0.000 1.157 103 S HN 0.229 nan 8.310 nan 0.000 0.491 126 D N 0.492 120.889 120.400 -0.004 0.000 2.336 126 D HA 0.244 4.884 4.640 -0.000 0.000 0.229 126 D C 1.095 177.394 176.300 -0.001 0.000 1.061 126 D CA 0.881 54.879 54.000 -0.003 0.000 0.875 126 D CB 0.448 41.245 40.800 -0.004 0.000 0.904 126 D HN 0.330 nan 8.370 nan 0.000 0.525 127 A N 0.007 122.826 122.820 -0.002 0.000 2.081 127 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 127 A C 1.969 179.554 177.584 0.002 0.000 1.158 127 A CA 0.098 52.135 52.037 -0.000 0.000 0.724 127 A CB -0.132 18.866 19.000 -0.003 0.000 0.826 127 A HN 0.298 nan 8.150 nan 0.000 0.463 128 I N -1.108 119.462 120.570 0.001 0.000 3.603 128 I HA -0.020 4.150 4.170 -0.000 0.000 0.297 128 I C 1.694 177.812 176.117 0.003 0.000 1.269 128 I CA 0.698 61.998 61.300 0.001 0.000 1.361 128 I CB 0.281 38.280 38.000 -0.002 0.000 1.063 128 I HN 0.205 nan 8.210 nan 0.000 0.448 129 S N 0.806 116.508 115.700 0.003 0.000 2.388 129 S HA -0.032 4.438 4.470 -0.000 0.000 0.223 129 S C 1.828 176.435 174.600 0.012 0.000 1.034 129 S CA 0.648 58.851 58.200 0.005 0.000 0.963 129 S CB -0.195 63.006 63.200 0.002 0.000 0.827 129 S HN 0.473 nan 8.310 nan 0.000 0.481 130 L N 1.417 122.647 121.223 0.011 0.000 2.043 130 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 130 L C 2.456 179.342 176.870 0.026 0.000 1.075 130 L CA 1.601 56.451 54.840 0.017 0.000 0.752 130 L CB -0.275 41.792 42.059 0.012 0.000 0.891 130 L HN 0.251 nan 8.230 nan 0.000 0.432 131 Q N 0.387 120.199 119.800 0.019 0.000 1.975 131 Q HA -0.254 4.085 4.340 -0.000 0.000 0.205 131 Q C 2.174 178.188 176.000 0.023 0.000 0.990 131 Q CA 2.146 57.959 55.803 0.018 0.000 0.845 131 Q CB -0.163 28.581 28.738 0.010 0.000 0.913 131 Q HN 0.376 nan 8.270 nan 0.000 0.420 132 K N -0.444 119.969 120.400 0.021 0.000 2.113 132 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 132 K C 1.953 178.580 176.600 0.044 0.000 1.047 132 K CA 1.200 57.504 56.287 0.027 0.000 0.928 132 K CB -0.287 32.222 32.500 0.014 0.000 0.716 132 K HN 0.250 nan 8.250 nan 0.000 0.446 133 A N 0.979 123.829 122.820 0.050 0.000 1.902 133 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 133 A C 1.993 179.674 177.584 0.161 0.000 1.181 133 A CA 1.213 53.298 52.037 0.080 0.000 0.623 133 A CB -0.402 18.631 19.000 0.054 0.000 0.818 133 A HN 0.082 nan 8.150 nan 0.000 0.443 134 L N -0.251 121.048 121.223 0.126 0.000 1.976 134 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 134 L C 2.535 179.367 176.870 -0.063 0.000 1.071 134 L CA 1.395 56.315 54.840 0.134 0.000 0.746 134 L CB -0.990 41.105 42.059 0.059 0.000 0.890 134 L HN 0.298 nan 8.230 nan 0.000 0.432 135 L N -0.479 120.710 121.223 -0.056 0.000 2.012 135 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 135 L C 2.543 179.324 176.870 -0.148 0.000 1.073 135 L CA 1.963 56.730 54.840 -0.121 0.000 0.748 135 L CB -0.997 41.039 42.059 -0.037 0.000 0.891 135 L HN 0.532 nan 8.230 nan 0.000 0.431 136 E N 0.270 120.453 120.200 -0.028 0.000 2.086 136 E HA -0.311 4.039 4.350 -0.000 0.000 0.200 136 E C 2.011 178.601 176.600 -0.017 0.000 1.012 136 E CA 2.231 58.634 56.400 0.004 0.000 0.812 136 E CB -0.133 29.608 29.700 0.068 0.000 0.743 136 E HN 0.799 nan 8.360 nan 0.000 0.453 137 H N -1.424 117.626 119.070 -0.032 0.000 2.529 137 H HA 0.121 4.677 4.556 -0.000 0.000 0.277 137 H C 1.791 177.098 175.328 -0.035 0.000 0.999 137 H CA 0.706 56.737 56.048 -0.028 0.000 1.256 137 H CB 0.135 29.886 29.762 -0.018 0.000 1.402 137 H HN 0.059 nan 8.280 nan 0.000 0.566 138 Q N 0.702 120.147 119.800 -0.591 0.000 2.398 138 Q HA 0.165 4.505 4.340 -0.000 0.000 0.204 138 Q C 0.652 176.507 176.000 -0.242 0.000 0.932 138 Q CA 0.305 55.857 55.803 -0.417 0.000 0.916 138 Q CB 0.484 28.949 28.738 -0.455 0.000 1.024 138 Q HN 0.567 nan 8.270 nan 0.000 0.504 139 L N 1.580 122.607 121.223 -0.325 0.000 2.583 139 L HA 0.120 4.460 4.340 -0.000 0.000 0.239 139 L C 0.615 177.421 176.870 -0.106 0.000 1.347 139 L CA -0.382 54.174 54.840 -0.474 0.000 1.246 139 L CB -0.370 41.310 42.059 -0.631 0.000 1.496 139 L HN 0.145 nan 8.230 nan 0.000 0.413 140 C N -2.873 116.455 119.300 0.047 0.000 2.863 140 C HA 0.538 4.998 4.460 -0.000 0.000 0.284 140 C C 1.118 176.178 174.990 0.116 0.000 1.426 140 C CA -0.771 58.292 59.018 0.075 0.000 1.782 140 C CB -1.026 26.743 27.740 0.048 0.000 2.554 140 C HN 0.514 nan 8.230 nan 0.000 0.566 141 G N 0.730 109.656 108.800 0.211 0.000 2.504 141 G HA2 0.541 4.501 3.960 -0.000 0.000 0.288 141 G HA3 0.541 4.501 3.960 -0.000 0.000 0.288 141 G C -0.716 174.206 174.900 0.038 0.000 1.182 141 G CA -0.208 44.940 45.100 0.080 0.000 0.894 141 G HN 0.294 nan 8.290 nan 0.000 0.521 142 V N 1.286 121.191 119.914 -0.015 0.000 2.432 142 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 142 V C -0.213 175.851 176.094 -0.050 0.000 1.043 142 V CA -0.330 61.959 62.300 -0.018 0.000 0.925 142 V CB 0.825 32.640 31.823 -0.015 0.000 0.985 142 V HN 0.456 nan 8.190 nan 0.000 0.466 143 L N 6.191 127.393 121.223 -0.035 0.000 2.359 143 L HA 0.709 5.049 4.340 -0.000 0.000 0.256 143 L C -2.370 174.490 176.870 -0.017 0.000 1.026 143 L CA -1.779 53.033 54.840 -0.047 0.000 0.828 143 L CB 1.930 43.949 42.059 -0.067 0.000 1.406 143 L HN 0.423 nan 8.230 nan 0.000 0.413 144 P HA 0.235 nan 4.420 nan 0.000 0.266 144 P C 0.086 177.383 177.300 -0.005 0.000 1.195 144 P CA 0.051 63.170 63.100 0.031 0.000 0.768 144 P CB 0.616 32.395 31.700 0.131 0.000 0.838 145 S N -0.397 115.307 115.700 0.006 0.000 2.436 145 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 145 S C 1.154 175.731 174.600 -0.039 0.000 1.014 145 S CA 1.110 59.305 58.200 -0.007 0.000 0.950 145 S CB 0.010 63.220 63.200 0.016 0.000 0.784 145 S HN 0.585 nan 8.310 nan 0.000 0.504 146 S N -1.625 114.039 115.700 -0.061 0.000 3.896 146 S HA 0.559 5.029 4.470 -0.000 0.000 0.190 146 S C -1.004 173.389 174.600 -0.344 0.000 1.171 146 S CA -0.311 57.820 58.200 -0.116 0.000 1.368 146 S CB -0.114 63.091 63.200 0.009 0.000 1.688 146 S HN 0.225 nan 8.310 nan 0.000 0.791 147 F N 1.004 120.854 119.950 -0.166 0.000 3.087 147 F HA 0.393 4.920 4.527 -0.000 0.000 0.371 147 F C 0.815 176.561 175.800 -0.090 0.000 1.144 147 F CA -0.290 57.474 58.000 -0.392 0.000 1.030 147 F CB 0.518 39.279 39.000 -0.398 0.000 1.366 147 F HN 0.298 nan 8.300 nan 0.000 0.522 148 D N -0.462 120.045 120.400 0.178 0.000 2.234 148 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 148 D C 1.959 178.372 176.300 0.189 0.000 0.962 148 D CA 1.175 55.266 54.000 0.153 0.000 0.855 148 D CB 0.091 40.952 40.800 0.101 0.000 0.951 148 D HN 0.131 nan 8.370 nan 0.000 0.500 149 S N 0.619 116.462 115.700 0.238 0.000 2.383 149 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 149 S C 0.659 175.440 174.600 0.302 0.000 1.026 149 S CA 0.098 58.436 58.200 0.230 0.000 0.981 149 S CB -0.275 63.054 63.200 0.215 0.000 0.818 149 S HN 0.103 nan 8.310 nan 0.000 0.472 150 F N 3.255 123.270 119.950 0.108 0.000 2.593 150 F HA 0.145 4.672 4.527 -0.000 0.000 0.393 150 F C 1.146 176.999 175.800 0.089 0.000 1.037 150 F CA 0.309 58.385 58.000 0.127 0.000 1.195 150 F CB 0.028 39.178 39.000 0.250 0.000 1.034 150 F HN -0.055 nan 8.300 nan 0.000 0.552 151 R N 2.295 122.891 120.500 0.160 0.000 2.930 151 R HA 0.393 4.733 4.340 -0.000 0.000 0.257 151 R C -0.960 175.383 176.300 0.073 0.000 1.107 151 R CA -1.359 54.803 56.100 0.103 0.000 0.999 151 R CB 0.971 31.305 30.300 0.056 0.000 1.209 151 R HN 0.431 nan 8.270 nan 0.000 0.486 152 L N 2.255 123.512 121.223 0.056 0.000 2.615 152 L HA 0.088 4.428 4.340 -0.000 0.000 0.271 152 L C 0.805 177.687 176.870 0.020 0.000 1.183 152 L CA 2.085 56.951 54.840 0.043 0.000 0.933 152 L CB -0.517 41.562 42.059 0.034 0.000 1.199 152 L HN 0.961 nan 8.230 nan 0.000 0.487 153 G N 4.824 113.634 108.800 0.016 0.000 2.184 153 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.264 153 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.264 153 G C 0.466 175.342 174.900 -0.040 0.000 0.975 153 G CA 0.378 45.475 45.100 -0.005 0.000 0.642 153 G HN 0.609 nan 8.290 nan 0.000 0.536 154 R N -1.484 118.974 120.500 -0.069 0.000 2.922 154 R HA 0.793 5.133 4.340 -0.000 0.000 0.256 154 R C 0.988 177.114 176.300 -0.290 0.000 1.138 154 R CA 0.106 56.128 56.100 -0.129 0.000 0.995 154 R CB 1.083 31.333 30.300 -0.083 0.000 1.226 154 R HN 1.114 nan 8.270 nan 0.000 0.481 155 G N -0.397 108.173 108.800 -0.384 0.000 3.638 155 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.196 155 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.196 155 G C 0.149 174.652 174.900 -0.662 0.000 1.315 155 G CA -0.377 44.237 45.100 -0.809 0.000 0.944 155 G HN 0.332 nan 8.290 nan 0.000 0.434 156 L N 1.736 122.679 121.223 -0.467 0.000 2.848 156 L HA 0.372 4.712 4.340 -0.000 0.000 0.240 156 L C 1.755 178.537 176.870 -0.147 0.000 1.232 156 L CA -0.049 54.646 54.840 -0.241 0.000 1.031 156 L CB 0.556 42.524 42.059 -0.152 0.000 1.338 156 L HN 0.266 nan 8.230 nan 0.000 0.509 157 E N 0.159 120.275 120.200 -0.140 0.000 2.118 157 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 157 E C 1.172 177.724 176.600 -0.080 0.000 0.992 157 E CA 1.003 57.346 56.400 -0.095 0.000 0.804 157 E CB -0.009 29.642 29.700 -0.081 0.000 0.741 157 E HN 0.340 nan 8.360 nan 0.000 0.458 158 N N 0.641 119.292 118.700 -0.082 0.000 2.421 158 N HA 0.010 4.750 4.740 -0.000 0.000 0.201 158 N C -0.638 174.817 175.510 -0.092 0.000 1.198 158 N CA 0.236 53.241 53.050 -0.075 0.000 0.838 158 N CB 0.283 38.731 38.487 -0.064 0.000 1.011 158 N HN 0.091 nan 8.380 nan 0.000 0.463 159 S N -0.436 115.208 115.700 -0.093 0.000 2.532 159 S HA 0.465 4.935 4.470 -0.000 0.000 0.301 159 S C -0.262 174.281 174.600 -0.096 0.000 1.083 159 S CA -0.930 57.207 58.200 -0.104 0.000 1.025 159 S CB 2.185 65.332 63.200 -0.087 0.000 1.056 159 S HN 0.006 nan 8.310 nan 0.000 0.494 160 L N 2.583 123.742 121.223 -0.106 0.000 2.410 160 L HA 0.429 4.769 4.340 -0.000 0.000 0.273 160 L C -2.355 174.468 176.870 -0.079 0.000 1.152 160 L CA -1.506 53.281 54.840 -0.087 0.000 0.855 160 L CB -0.274 41.730 42.059 -0.092 0.000 1.129 160 L HN 0.532 nan 8.230 nan 0.000 0.463 161 P HA -0.056 nan 4.420 nan 0.000 0.265 161 P C 0.478 177.731 177.300 -0.079 0.000 1.187 161 P CA -0.216 62.841 63.100 -0.071 0.000 0.766 161 P CB 0.448 32.114 31.700 -0.057 0.000 0.820 162 L N 3.092 124.252 121.223 -0.104 0.000 2.079 162 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 162 L C 2.241 179.064 176.870 -0.078 0.000 1.081 162 L CA 1.884 56.654 54.840 -0.116 0.000 0.752 162 L CB -1.490 40.450 42.059 -0.200 0.000 0.896 162 L HN 0.547 nan 8.230 nan 0.000 0.433 163 E N -0.961 119.197 120.200 -0.071 0.000 2.106 163 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 163 E C 2.034 178.604 176.600 -0.049 0.000 0.984 163 E CA 1.384 57.749 56.400 -0.058 0.000 0.806 163 E CB -0.623 29.042 29.700 -0.059 0.000 0.750 163 E HN 0.281 nan 8.360 nan 0.000 0.458 164 V N 1.831 121.716 119.914 -0.049 0.000 2.255 164 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 164 V C 2.487 178.560 176.094 -0.034 0.000 1.051 164 V CA 1.753 64.028 62.300 -0.041 0.000 1.018 164 V CB -0.533 31.265 31.823 -0.041 0.000 0.641 164 V HN 0.331 nan 8.190 nan 0.000 0.445 165 V N -0.080 119.814 119.914 -0.034 0.000 2.626 165 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 165 V C 2.624 178.712 176.094 -0.010 0.000 1.067 165 V CA 1.900 64.189 62.300 -0.019 0.000 1.081 165 V CB -0.506 31.308 31.823 -0.015 0.000 0.686 165 V HN 0.479 nan 8.190 nan 0.000 0.468 166 R N -0.056 120.434 120.500 -0.017 0.000 2.073 166 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 166 R C 2.388 178.677 176.300 -0.018 0.000 1.120 166 R CA 1.280 57.374 56.100 -0.010 0.000 0.967 166 R CB -0.880 29.408 30.300 -0.019 0.000 0.862 166 R HN 0.610 nan 8.270 nan 0.000 0.436 167 G N 1.266 110.049 108.800 -0.028 0.000 2.422 167 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 167 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 167 G C 0.728 175.612 174.900 -0.027 0.000 1.146 167 G CA 0.738 45.819 45.100 -0.032 0.000 0.769 167 G HN 0.430 nan 8.290 nan 0.000 0.547 171 I N 1.433 121.983 120.570 -0.033 0.000 2.286 171 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 171 I C 2.817 178.911 176.117 -0.039 0.000 1.115 171 I CA 1.060 62.337 61.300 -0.038 0.000 1.392 171 I CB -0.208 37.772 38.000 -0.034 0.000 1.065 171 I HN 0.097 nan 8.210 nan 0.000 0.418 172 R N 0.917 121.397 120.500 -0.032 0.000 2.070 172 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 172 R C 2.297 178.574 176.300 -0.039 0.000 1.137 172 R CA 1.476 57.557 56.100 -0.031 0.000 0.945 172 R CB -0.740 29.543 30.300 -0.029 0.000 0.845 172 R HN 0.200 nan 8.270 nan 0.000 0.430 173 V N 1.679 121.568 119.914 -0.041 0.000 2.255 173 V HA -0.289 3.830 4.120 -0.000 0.000 0.247 173 V C 2.252 178.316 176.094 -0.050 0.000 1.051 173 V CA 2.157 64.431 62.300 -0.044 0.000 1.018 173 V CB -0.787 31.012 31.823 -0.040 0.000 0.641 173 V HN 0.425 nan 8.190 nan 0.000 0.445 174 N N 1.039 119.707 118.700 -0.054 0.000 2.037 174 N HA -0.235 4.505 4.740 -0.000 0.000 0.196 174 N C 1.942 177.391 175.510 -0.101 0.000 1.034 174 N CA 2.356 55.364 53.050 -0.070 0.000 0.861 174 N CB -0.344 38.102 38.487 -0.070 0.000 1.039 174 N HN 0.581 nan 8.380 nan 0.000 0.427 175 S N -0.290 115.353 115.700 -0.095 0.000 2.419 175 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 175 S C 2.065 176.606 174.600 -0.098 0.000 1.016 175 S CA 0.814 58.948 58.200 -0.109 0.000 0.974 175 S CB -0.623 62.537 63.200 -0.068 0.000 0.786 175 S HN 0.369 nan 8.310 nan 0.000 0.492 176 L N 2.055 123.236 121.223 -0.070 0.000 2.217 176 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 176 L C 2.805 179.629 176.870 -0.077 0.000 1.107 176 L CA 1.377 56.182 54.840 -0.057 0.000 0.783 176 L CB -1.077 40.960 42.059 -0.037 0.000 0.919 176 L HN 0.560 nan 8.230 nan 0.000 0.442 177 T N -3.099 111.406 114.554 -0.082 0.000 3.227 177 T HA -0.067 4.283 4.350 -0.000 0.000 0.257 177 T C 1.568 176.208 174.700 -0.100 0.000 1.162 177 T CA 0.343 62.402 62.100 -0.069 0.000 1.051 177 T CB -0.273 68.567 68.868 -0.046 0.000 0.953 177 T HN 0.356 nan 8.240 nan 0.000 0.535 178 R N 0.360 120.745 120.500 -0.191 0.000 2.280 178 R HA 0.342 4.682 4.340 -0.000 0.000 0.195 178 R C 1.717 177.754 176.300 -0.438 0.000 0.935 178 R CA 0.289 56.188 56.100 -0.335 0.000 1.033 178 R CB -0.026 29.952 30.300 -0.537 0.000 0.964 178 R HN 0.475 nan 8.270 nan 0.000 0.489 179 G N 1.429 110.080 108.800 -0.247 0.000 2.225 179 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 179 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 179 G C 0.039 174.916 174.900 -0.037 0.000 1.060 179 G CA 0.502 45.528 45.100 -0.123 0.000 0.833 179 G HN 0.619 nan 8.290 nan 0.000 0.498 180 H N -1.292 117.784 119.070 0.011 0.000 3.046 180 H HA 0.250 4.806 4.556 -0.000 0.000 0.262 180 H C 2.180 177.521 175.328 0.023 0.000 1.044 180 H CA 0.541 56.597 56.048 0.013 0.000 1.209 180 H CB 0.826 30.592 29.762 0.006 0.000 1.507 180 H HN 0.404 nan 8.280 nan 0.000 0.507 181 S N 0.225 115.997 115.700 0.120 0.000 2.514 181 S HA 0.313 4.783 4.470 -0.000 0.000 0.223 181 S C 1.178 175.819 174.600 0.069 0.000 1.046 181 S CA 0.340 58.590 58.200 0.084 0.000 0.914 181 S CB 1.036 64.269 63.200 0.054 0.000 0.807 181 S HN 0.486 nan 8.310 nan 0.000 0.497 182 A N 1.198 124.056 122.820 0.064 0.000 2.815 182 A HA -0.061 4.259 4.320 -0.000 0.000 0.292 182 A C 0.151 177.758 177.584 0.040 0.000 1.457 182 A CA 0.465 52.539 52.037 0.063 0.000 0.735 182 A CB -2.235 16.820 19.000 0.091 0.000 1.056 182 A HN 1.275 nan 8.150 nan 0.000 0.474 183 V N -1.592 118.336 119.914 0.023 0.000 2.540 183 V HA 0.830 4.950 4.120 -0.000 0.000 0.302 183 V C 0.425 176.522 176.094 0.005 0.000 1.035 183 V CA -1.019 61.287 62.300 0.011 0.000 0.873 183 V CB 1.510 33.333 31.823 0.001 0.000 0.992 183 V HN 0.668 nan 8.190 nan 0.000 0.428 184 R N 2.866 123.368 120.500 0.004 0.000 2.811 184 R HA 0.169 4.509 4.340 -0.000 0.000 0.265 184 R C 1.299 177.596 176.300 -0.004 0.000 1.026 184 R CA 0.345 56.447 56.100 0.003 0.000 1.142 184 R CB 0.374 30.677 30.300 0.004 0.000 1.027 184 R HN 0.904 nan 8.270 nan 0.000 0.465 185 L N 2.281 123.503 121.223 -0.002 0.000 2.083 185 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 185 L C 2.152 179.018 176.870 -0.007 0.000 1.083 185 L CA 1.240 56.077 54.840 -0.005 0.000 0.752 185 L CB -0.156 41.903 42.059 0.000 0.000 0.899 185 L HN 0.552 nan 8.230 nan 0.000 0.433 186 V N -0.670 119.243 119.914 -0.003 0.000 2.568 186 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 186 V C 2.332 178.417 176.094 -0.016 0.000 1.072 186 V CA 1.738 64.037 62.300 -0.002 0.000 1.084 186 V CB 0.169 31.994 31.823 0.004 0.000 0.676 186 V HN 0.335 nan 8.190 nan 0.000 0.469 187 V N -0.515 119.384 119.914 -0.025 0.000 2.453 187 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 187 V C 2.306 178.363 176.094 -0.061 0.000 1.048 187 V CA 1.684 63.956 62.300 -0.046 0.000 1.049 187 V CB -0.436 31.363 31.823 -0.039 0.000 0.672 187 V HN 0.449 nan 8.190 nan 0.000 0.457 188 L N 0.043 121.240 121.223 -0.043 0.000 2.056 188 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 188 L C 2.428 179.271 176.870 -0.044 0.000 1.078 188 L CA 1.801 56.613 54.840 -0.045 0.000 0.749 188 L CB -0.898 41.142 42.059 -0.031 0.000 0.901 188 L HN 0.373 nan 8.230 nan 0.000 0.433 189 E N -0.522 119.662 120.200 -0.026 0.000 2.268 189 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 189 E C 2.183 178.778 176.600 -0.007 0.000 0.995 189 E CA 0.865 57.260 56.400 -0.008 0.000 0.836 189 E CB -0.207 29.499 29.700 0.010 0.000 0.763 189 E HN 0.507 nan 8.360 nan 0.000 0.491 190 A N 0.917 123.708 122.820 -0.049 0.000 2.014 190 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 190 A C 2.087 179.527 177.584 -0.239 0.000 1.163 190 A CA 0.769 52.745 52.037 -0.102 0.000 0.652 190 A CB -0.248 18.660 19.000 -0.153 0.000 0.808 190 A HN 0.121 nan 8.150 nan 0.000 0.449 191 L N -0.566 120.544 121.223 -0.188 0.000 2.168 191 L HA -0.071 4.269 4.340 -0.000 0.000 0.203 191 L C 2.941 179.789 176.870 -0.036 0.000 1.078 191 L CA 1.538 56.269 54.840 -0.182 0.000 0.780 191 L CB -0.598 41.381 42.059 -0.133 0.000 0.939 191 L HN 0.575 nan 8.230 nan 0.000 0.451 192 T N -3.482 111.060 114.554 -0.020 0.000 2.867 192 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 192 T C 1.718 176.427 174.700 0.015 0.000 1.057 192 T CA 1.040 63.137 62.100 -0.005 0.000 1.136 192 T CB -0.319 68.538 68.868 -0.017 0.000 0.874 192 T HN 0.157 nan 8.240 nan 0.000 0.466 193 N N 1.031 119.777 118.700 0.077 0.000 2.084 193 N HA 0.024 4.764 4.740 -0.000 0.000 0.190 193 N C 1.460 177.100 175.510 0.216 0.000 1.030 193 N CA 0.951 54.087 53.050 0.144 0.000 0.849 193 N CB -0.697 37.963 38.487 0.288 0.000 1.012 193 N HN 0.318 nan 8.380 nan 0.000 0.423 194 F N 1.551 121.487 119.950 -0.022 0.000 2.095 194 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 194 F C 2.326 178.078 175.800 -0.081 0.000 1.104 194 F CA 0.580 58.549 58.000 -0.052 0.000 1.232 194 F CB -0.938 38.044 39.000 -0.031 0.000 0.987 194 F HN -0.003 nan 8.300 nan 0.000 0.475 195 L N -0.236 121.065 121.223 0.131 0.000 1.970 195 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 195 L C 2.256 179.093 176.870 -0.054 0.000 1.071 195 L CA 1.557 56.413 54.840 0.026 0.000 0.751 195 L CB -0.728 41.334 42.059 0.005 0.000 0.889 195 L HN 0.111 nan 8.230 nan 0.000 0.432 196 N N -1.067 117.558 118.700 -0.125 0.000 2.364 196 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 196 N C 1.322 176.615 175.510 -0.362 0.000 1.022 196 N CA 1.056 53.957 53.050 -0.248 0.000 0.883 196 N CB -0.297 37.992 38.487 -0.330 0.000 0.965 196 N HN 0.443 nan 8.380 nan 0.000 0.438 197 H N -0.830 118.157 119.070 -0.139 0.000 2.520 197 H HA 0.251 4.807 4.556 -0.000 0.000 0.284 197 H C 1.113 176.221 175.328 -0.367 0.000 1.037 197 H CA 0.416 56.279 56.048 -0.308 0.000 1.168 197 H CB 0.240 29.633 29.762 -0.615 0.000 1.497 197 H HN 0.228 nan 8.280 nan 0.000 0.547 198 G N 1.615 110.344 108.800 -0.118 0.000 2.153 198 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 198 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 198 G C 0.268 175.111 174.900 -0.095 0.000 0.994 198 G CA 0.126 45.187 45.100 -0.065 0.000 0.698 198 G HN 0.381 nan 8.290 nan 0.000 0.521 199 I N 1.678 122.120 120.570 -0.213 0.000 2.337 199 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 199 I C 0.109 176.192 176.117 -0.056 0.000 1.046 199 I CA 0.061 61.194 61.300 -0.278 0.000 1.324 199 I CB 1.243 38.782 38.000 -0.769 0.000 1.409 199 I HN -0.005 nan 8.210 nan 0.000 0.494 200 T N 7.522 122.098 114.554 0.036 0.000 2.934 200 T HA 0.295 4.645 4.350 -0.000 0.000 0.328 200 T C -2.465 172.299 174.700 0.106 0.000 1.068 200 T CA -1.326 60.827 62.100 0.088 0.000 1.018 200 T CB 1.207 70.101 68.868 0.044 0.000 1.009 200 T HN 0.337 nan 8.240 nan 0.000 0.471 201 P HA 0.090 nan 4.420 nan 0.000 0.265 201 P C -0.275 177.066 177.300 0.069 0.000 1.187 201 P CA -0.393 62.786 63.100 0.131 0.000 0.766 201 P CB 0.623 32.431 31.700 0.180 0.000 0.820 202 I N 3.570 124.171 120.570 0.051 0.000 2.396 202 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 202 I C 0.861 176.929 176.117 -0.081 0.000 1.056 202 I CA -0.232 61.063 61.300 -0.008 0.000 1.365 202 I CB 0.615 38.608 38.000 -0.011 0.000 1.407 202 I HN 0.143 nan 8.210 nan 0.000 0.509 203 V N 8.294 128.109 119.914 -0.165 0.000 2.876 203 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 203 V C -2.645 173.222 176.094 -0.377 0.000 1.085 203 V CA -2.267 59.803 62.300 -0.382 0.000 0.945 203 V CB 2.638 34.309 31.823 -0.253 0.000 1.017 203 V HN 0.447 nan 8.190 nan 0.000 0.428 204 P HA 0.101 nan 4.420 nan 0.000 0.267 204 P C 0.374 177.550 177.300 -0.207 0.000 1.200 204 P CA 0.025 62.924 63.100 -0.334 0.000 0.772 204 P CB 0.643 32.123 31.700 -0.367 0.000 0.855 205 L N 3.319 124.459 121.223 -0.138 0.000 2.179 205 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 205 L C 0.655 177.481 176.870 -0.074 0.000 1.096 205 L CA 1.634 56.417 54.840 -0.096 0.000 0.779 205 L CB -0.285 41.728 42.059 -0.076 0.000 0.922 205 L HN 0.284 nan 8.230 nan 0.000 0.443 206 R N -2.212 118.247 120.500 -0.070 0.000 2.888 206 R HA 0.643 4.983 4.340 -0.000 0.000 0.266 206 R C 0.221 176.500 176.300 -0.035 0.000 1.020 206 R CA -0.223 55.850 56.100 -0.044 0.000 0.963 206 R CB 1.304 31.584 30.300 -0.033 0.000 1.197 206 R HN 0.003 nan 8.270 nan 0.000 0.481 207 G N -0.005 108.786 108.800 -0.015 0.000 2.672 207 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.197 207 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.197 207 G C -0.094 174.812 174.900 0.010 0.000 0.995 207 G CA -0.066 45.034 45.100 0.001 0.000 0.754 207 G HN 0.582 nan 8.290 nan 0.000 0.505 208 T N 0.954 115.511 114.554 0.004 0.000 2.859 208 T HA 0.610 4.960 4.350 -0.000 0.000 0.281 208 T C 1.355 176.064 174.700 0.015 0.000 1.005 208 T CA -0.226 61.881 62.100 0.012 0.000 1.025 208 T CB 0.882 69.755 68.868 0.010 0.000 0.977 208 T HN 0.765 nan 8.240 nan 0.000 0.458 209 I N 1.204 121.788 120.570 0.023 0.000 3.914 209 I HA 0.404 4.574 4.170 -0.000 0.000 0.333 209 I C 0.569 176.710 176.117 0.039 0.000 1.449 209 I CA -0.725 60.593 61.300 0.029 0.000 1.135 209 I CB -0.482 37.537 38.000 0.033 0.000 1.073 209 I HN 0.515 nan 8.210 nan 0.000 0.401 215 L N 0.288 121.509 121.223 -0.004 0.000 1.965 215 L HA -0.232 4.108 4.340 -0.000 0.000 0.226 215 L C 2.522 179.387 176.870 -0.009 0.000 1.083 215 L CA 1.861 56.688 54.840 -0.021 0.000 0.790 215 L CB -1.800 40.237 42.059 -0.037 0.000 0.898 215 L HN 0.215 nan 8.230 nan 0.000 0.439 216 S N 0.086 115.793 115.700 0.012 0.000 2.377 216 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 216 S C -0.053 174.654 174.600 0.179 0.000 1.042 216 S CA 2.200 60.446 58.200 0.076 0.000 1.086 216 S CB -1.006 62.249 63.200 0.090 0.000 0.995 216 S HN 0.223 nan 8.310 nan 0.000 0.428 217 P HA -0.082 nan 4.420 nan 0.000 0.214 217 P C 1.465 178.830 177.300 0.107 0.000 1.163 217 P CA 1.162 64.311 63.100 0.082 0.000 0.889 217 P CB -0.147 31.559 31.700 0.010 0.000 0.790 218 L N -1.038 120.218 121.223 0.056 0.000 2.191 218 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 218 L C 2.543 179.429 176.870 0.026 0.000 1.103 218 L CA 1.499 56.358 54.840 0.032 0.000 0.769 218 L CB -0.890 41.175 42.059 0.010 0.000 0.908 218 L HN 0.097 nan 8.230 nan 0.000 0.438 219 S N -0.862 114.852 115.700 0.024 0.000 2.423 219 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 219 S C 1.938 176.485 174.600 -0.088 0.000 1.014 219 S CA 0.839 59.004 58.200 -0.059 0.000 0.965 219 S CB -0.204 62.919 63.200 -0.128 0.000 0.785 219 S HN 0.417 nan 8.310 nan 0.000 0.495 220 Y N 1.236 121.496 120.300 -0.066 0.000 2.337 220 Y HA 0.253 4.803 4.550 -0.000 0.000 0.293 220 Y C 2.025 177.907 175.900 -0.029 0.000 1.123 220 Y CA 0.842 58.906 58.100 -0.059 0.000 1.201 220 Y CB -0.159 38.269 38.460 -0.054 0.000 1.011 220 Y HN 0.286 nan 8.280 nan 0.000 0.545 221 I N -0.990 119.652 120.570 0.120 0.000 2.546 221 I HA -0.215 3.955 4.170 -0.000 0.000 0.255 221 I C 2.391 178.503 176.117 -0.009 0.000 1.163 221 I CA 0.966 62.301 61.300 0.059 0.000 1.457 221 I CB -0.353 37.664 38.000 0.029 0.000 1.092 221 I HN 0.150 nan 8.210 nan 0.000 0.434 222 A N 0.662 123.469 122.820 -0.022 0.000 1.970 222 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 222 A C 2.508 180.075 177.584 -0.028 0.000 1.170 222 A CA 1.326 53.335 52.037 -0.047 0.000 0.645 222 A CB -0.484 18.488 19.000 -0.046 0.000 0.816 222 A HN 0.373 nan 8.150 nan 0.000 0.447 223 A N -0.051 122.753 122.820 -0.027 0.000 1.929 223 A HA 0.266 4.586 4.320 -0.000 0.000 0.216 223 A C 2.439 180.075 177.584 0.087 0.000 1.176 223 A CA 1.688 53.733 52.037 0.013 0.000 0.628 223 A CB -0.843 18.083 19.000 -0.124 0.000 0.816 223 A HN 0.917 nan 8.150 nan 0.000 0.444 224 A N 0.770 123.648 122.820 0.096 0.000 1.902 224 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 224 A C 2.002 179.728 177.584 0.237 0.000 1.181 224 A CA 1.449 53.609 52.037 0.205 0.000 0.623 224 A CB -0.763 18.402 19.000 0.275 0.000 0.818 224 A HN 1.004 nan 8.150 nan 0.000 0.443 225 I N -1.942 118.627 120.570 -0.003 0.000 3.564 225 I HA 0.064 4.234 4.170 -0.000 0.000 0.294 225 I C 1.216 177.325 176.117 -0.015 0.000 1.289 225 I CA 1.220 62.410 61.300 -0.184 0.000 1.325 225 I CB 0.052 37.733 38.000 -0.531 0.000 1.039 225 I HN 0.246 nan 8.210 nan 0.000 0.474 226 S N -0.134 115.594 115.700 0.048 0.000 2.629 226 S HA 0.434 4.904 4.470 -0.000 0.000 0.236 226 S C 1.270 175.922 174.600 0.085 0.000 1.010 226 S CA 0.117 58.347 58.200 0.051 0.000 0.981 226 S CB 0.299 63.517 63.200 0.030 0.000 0.919 226 S HN 0.763 nan 8.310 nan 0.000 0.514 227 G N 2.591 111.473 108.800 0.136 0.000 2.324 227 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 227 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 227 G C -0.214 174.771 174.900 0.140 0.000 1.079 227 G CA 0.042 45.229 45.100 0.146 0.000 1.026 227 G HN 0.765 nan 8.290 nan 0.000 0.506 228 H N 0.923 120.035 119.070 0.071 0.000 2.848 228 H HA 0.206 4.762 4.556 -0.000 0.000 0.317 228 H C -0.835 174.549 175.328 0.093 0.000 1.046 228 H CA -1.140 54.939 56.048 0.052 0.000 1.470 228 H CB 1.116 30.886 29.762 0.013 0.000 1.483 228 H HN 0.108 nan 8.280 nan 0.000 0.548 229 P HA -0.169 nan 4.420 nan 0.000 0.219 229 P C 0.518 178.047 177.300 0.381 0.000 1.145 229 P CA 1.607 64.806 63.100 0.166 0.000 0.813 229 P CB 0.334 32.032 31.700 -0.004 0.000 0.771 230 D N -2.283 118.448 120.400 0.552 0.000 2.479 230 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 230 D C -0.133 176.253 176.300 0.142 0.000 1.177 230 D CA -0.048 54.160 54.000 0.346 0.000 0.830 230 D CB -0.074 40.871 40.800 0.241 0.000 1.014 230 D HN -0.110 nan 8.370 nan 0.000 0.503 231 S N 0.145 115.947 115.700 0.169 0.000 2.545 231 S HA 0.402 4.872 4.470 -0.000 0.000 0.275 231 S C -0.138 174.453 174.600 -0.014 0.000 1.299 231 S CA -0.375 57.862 58.200 0.062 0.000 1.048 231 S CB 0.620 63.890 63.200 0.117 0.000 0.938 231 S HN 0.025 nan 8.310 nan 0.000 0.496 232 K N 2.255 122.619 120.400 -0.061 0.000 2.328 232 K HA 0.724 5.044 4.320 -0.000 0.000 0.246 232 K C -0.934 175.657 176.600 -0.015 0.000 0.955 232 K CA -0.962 55.240 56.287 -0.142 0.000 0.817 232 K CB 2.014 34.369 32.500 -0.242 0.000 1.208 232 K HN 0.570 nan 8.250 nan 0.000 0.432 233 V N -2.017 117.892 119.914 -0.009 0.000 3.114 233 V HA 0.473 4.593 4.120 -0.000 0.000 0.308 233 V C -0.973 175.157 176.094 0.061 0.000 1.168 233 V CA -0.907 61.417 62.300 0.040 0.000 1.015 233 V CB 1.891 33.719 31.823 0.008 0.000 1.050 233 V HN 0.867 nan 8.190 nan 0.000 0.433 234 H N 1.573 120.640 119.070 -0.006 0.000 2.479 234 H HA 0.885 5.441 4.556 -0.000 0.000 0.335 234 H C -1.323 174.003 175.328 -0.002 0.000 1.142 234 H CA -0.148 55.911 56.048 0.018 0.000 1.234 234 H CB 1.955 31.735 29.762 0.032 0.000 1.503 234 H HN 0.911 nan 8.280 nan 0.000 0.510 235 V N 4.825 124.543 119.914 -0.327 0.000 3.108 235 V HA 0.214 4.334 4.120 -0.000 0.000 0.287 235 V C -1.277 174.732 176.094 -0.142 0.000 1.436 235 V CA -0.645 61.598 62.300 -0.095 0.000 1.001 235 V CB 1.987 33.794 31.823 -0.027 0.000 1.141 235 V HN 0.647 nan 8.190 nan 0.000 0.443 236 V N 3.082 123.019 119.914 0.039 0.000 2.334 236 V HA 0.563 4.683 4.120 -0.000 0.000 0.267 236 V C 0.044 176.246 176.094 0.180 0.000 1.040 236 V CA -0.233 62.119 62.300 0.087 0.000 0.866 236 V CB 0.559 32.456 31.823 0.124 0.000 1.019 236 V HN 0.980 nan 8.190 nan 0.000 0.468 237 H N 4.684 123.775 119.070 0.035 0.000 2.594 237 H HA 0.285 4.841 4.556 -0.000 0.000 0.304 237 H C -0.211 175.125 175.328 0.014 0.000 1.068 237 H CA -0.688 55.380 56.048 0.034 0.000 1.308 237 H CB 0.777 30.538 29.762 -0.000 0.000 1.409 237 H HN 0.889 nan 8.280 nan 0.000 0.460 238 E N 3.376 123.639 120.200 0.105 0.000 2.216 238 E HA -0.194 4.156 4.350 -0.000 0.000 0.162 238 E C 0.611 177.199 176.600 -0.021 0.000 1.642 238 E CA 1.085 57.470 56.400 -0.026 0.000 0.599 238 E CB -1.843 27.747 29.700 -0.183 0.000 1.045 238 E HN 1.059 nan 8.360 nan 0.000 0.308 239 G N 1.126 109.942 108.800 0.027 0.000 2.331 239 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 239 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 239 G C -0.057 174.853 174.900 0.016 0.000 0.879 239 G CA 1.306 46.419 45.100 0.022 0.000 1.287 239 G HN 0.740 nan 8.290 nan 0.000 0.383 240 K N 0.367 120.790 120.400 0.037 0.000 3.487 240 K HA 0.102 4.422 4.320 -0.000 0.000 0.444 240 K C -0.581 176.042 176.600 0.039 0.000 1.232 240 K CA -0.465 55.841 56.287 0.031 0.000 0.984 240 K CB 0.197 32.701 32.500 0.005 0.000 1.196 240 K HN 0.416 nan 8.250 nan 0.000 0.443 241 E N 3.054 123.274 120.200 0.034 0.000 2.266 241 E HA 0.375 4.725 4.350 -0.000 0.000 0.277 241 E C -0.919 175.645 176.600 -0.060 0.000 1.018 241 E CA -0.587 55.797 56.400 -0.027 0.000 0.840 241 E CB 1.453 31.204 29.700 0.085 0.000 1.082 241 E HN 0.266 nan 8.360 nan 0.000 0.395 242 K N 2.094 122.393 120.400 -0.168 0.000 2.508 242 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 242 K C -0.889 175.666 176.600 -0.074 0.000 0.949 242 K CA -0.689 55.564 56.287 -0.056 0.000 0.834 242 K CB 1.960 34.465 32.500 0.009 0.000 1.365 242 K HN 0.380 nan 8.250 nan 0.000 0.437 243 I N 4.115 124.738 120.570 0.088 0.000 2.437 243 I HA 0.225 4.395 4.170 -0.000 0.000 0.279 243 I C -1.201 174.961 176.117 0.075 0.000 1.028 243 I CA -0.699 60.651 61.300 0.083 0.000 1.142 243 I CB 0.754 38.830 38.000 0.127 0.000 1.266 243 I HN 0.258 nan 8.210 nan 0.000 0.461 244 L N 5.703 126.946 121.223 0.033 0.000 2.271 244 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 244 L C -0.439 176.448 176.870 0.029 0.000 1.013 244 L CA -0.819 54.069 54.840 0.081 0.000 0.820 244 L CB 0.346 42.462 42.059 0.094 0.000 1.352 244 L HN 0.186 nan 8.230 nan 0.000 0.443 245 Y N -0.200 120.125 120.300 0.041 0.000 2.326 245 Y HA 0.303 4.853 4.550 -0.000 0.000 0.333 245 Y C 1.345 177.276 175.900 0.052 0.000 1.240 245 Y CA 0.533 58.663 58.100 0.050 0.000 1.365 245 Y CB 0.867 39.356 38.460 0.050 0.000 1.289 245 Y HN 0.702 nan 8.280 nan 0.000 0.548 246 A N 3.239 126.173 122.820 0.190 0.000 1.948 246 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 246 A C 2.119 179.798 177.584 0.159 0.000 1.177 246 A CA 1.875 54.009 52.037 0.163 0.000 0.636 246 A CB -0.410 18.714 19.000 0.206 0.000 0.815 246 A HN 0.886 nan 8.150 nan 0.000 0.449 247 R N -0.902 119.701 120.500 0.173 0.000 2.153 247 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 247 R C 2.084 178.441 176.300 0.095 0.000 1.072 247 R CA 1.086 57.260 56.100 0.124 0.000 0.990 247 R CB -0.239 30.119 30.300 0.097 0.000 0.889 247 R HN 0.746 nan 8.270 nan 0.000 0.452 248 E N 1.479 121.748 120.200 0.115 0.000 2.047 248 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 248 E C 0.670 177.303 176.600 0.055 0.000 0.987 248 E CA 0.721 57.170 56.400 0.082 0.000 0.799 248 E CB 0.068 29.844 29.700 0.127 0.000 0.752 248 E HN 0.303 nan 8.360 nan 0.000 0.449 252 L N -0.305 120.830 121.223 -0.148 0.000 2.627 252 L HA 0.319 4.659 4.340 -0.000 0.000 0.232 252 L C 0.705 177.136 176.870 -0.733 0.000 1.150 252 L CA 0.788 55.391 54.840 -0.396 0.000 0.917 252 L CB -0.221 41.531 42.059 -0.511 0.000 1.104 252 L HN 0.446 nan 8.230 nan 0.000 0.445 253 F N -1.548 118.303 119.950 -0.165 0.000 2.899 253 F HA 0.180 4.707 4.527 -0.000 0.000 0.337 253 F C 1.177 176.868 175.800 -0.182 0.000 1.129 253 F CA -0.382 57.474 58.000 -0.239 0.000 1.128 253 F CB 0.023 38.814 39.000 -0.347 0.000 1.154 253 F HN 0.092 nan 8.300 nan 0.000 0.531 254 N N 1.199 119.903 118.700 0.007 0.000 2.753 254 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 254 N C -0.408 175.134 175.510 0.054 0.000 1.097 254 N CA -0.062 52.998 53.050 0.018 0.000 0.786 254 N CB -0.669 37.821 38.487 0.006 0.000 1.137 254 N HN 0.236 nan 8.380 nan 0.000 0.566 255 L N 0.837 122.113 121.223 0.087 0.000 2.436 255 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 255 L C 0.554 177.490 176.870 0.111 0.000 1.168 255 L CA 0.022 54.934 54.840 0.119 0.000 0.815 255 L CB 0.970 43.134 42.059 0.175 0.000 1.109 255 L HN 0.143 nan 8.230 nan 0.000 0.462 256 E N 4.120 124.385 120.200 0.108 0.000 2.129 256 E HA 0.323 4.673 4.350 -0.000 0.000 0.268 256 E C -2.276 174.380 176.600 0.092 0.000 0.900 256 E CA -2.124 54.328 56.400 0.085 0.000 0.755 256 E CB 0.953 30.689 29.700 0.060 0.000 1.117 256 E HN 0.179 nan 8.360 nan 0.000 0.410 257 P HA -0.051 nan 4.420 nan 0.000 0.261 257 P C -0.491 176.838 177.300 0.049 0.000 1.173 257 P CA -0.018 63.134 63.100 0.086 0.000 0.760 257 P CB 0.512 32.259 31.700 0.079 0.000 0.783 258 V N 4.314 124.246 119.914 0.029 0.000 2.546 258 V HA 0.090 4.210 4.120 -0.000 0.000 0.284 258 V C 0.733 176.830 176.094 0.005 0.000 1.050 258 V CA -0.534 61.770 62.300 0.007 0.000 0.981 258 V CB 1.614 33.423 31.823 -0.023 0.000 0.990 258 V HN 0.306 nan 8.190 nan 0.000 0.474 259 V N 6.465 126.382 119.914 0.005 0.000 2.407 259 V HA 0.317 4.437 4.120 -0.000 0.000 0.278 259 V C 0.161 176.254 176.094 -0.001 0.000 1.037 259 V CA -0.474 61.828 62.300 0.003 0.000 0.900 259 V CB 1.446 33.271 31.823 0.003 0.000 0.983 259 V HN 0.603 nan 8.190 nan 0.000 0.459 260 L N 5.225 126.447 121.223 -0.002 0.000 2.361 260 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 260 L C 1.239 178.109 176.870 -0.001 0.000 1.113 260 L CA 0.233 55.071 54.840 -0.004 0.000 0.849 260 L CB 0.634 42.691 42.059 -0.004 0.000 1.155 260 L HN 0.824 nan 8.230 nan 0.000 0.452 261 G N 4.053 112.853 108.800 0.000 0.000 2.485 261 G HA2 0.244 4.204 3.960 -0.000 0.000 0.260 261 G HA3 0.244 4.204 3.960 -0.000 0.000 0.260 261 G C -1.920 172.982 174.900 0.003 0.000 1.459 261 G CA -0.654 44.447 45.100 0.002 0.000 1.060 261 G HN 0.413 nan 8.290 nan 0.000 0.546 262 P HA -0.195 nan 4.420 nan 0.000 0.217 262 P C 1.441 178.746 177.300 0.009 0.000 0.876 262 P CA 1.520 64.622 63.100 0.004 0.000 1.034 262 P CB 0.156 31.857 31.700 0.002 0.000 0.655 263 K N 0.053 120.461 120.400 0.013 0.000 2.437 263 K HA -0.017 4.303 4.320 -0.000 0.000 0.198 263 K C 1.546 178.158 176.600 0.019 0.000 1.024 263 K CA 0.429 56.728 56.287 0.020 0.000 1.148 263 K CB -0.164 32.352 32.500 0.028 0.000 0.860 263 K HN 0.177 nan 8.250 nan 0.000 0.515 264 E N -0.502 119.705 120.200 0.013 0.000 2.106 264 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 264 E C 1.698 178.300 176.600 0.002 0.000 0.984 264 E CA 1.065 57.470 56.400 0.008 0.000 0.806 264 E CB 0.059 29.760 29.700 0.002 0.000 0.750 264 E HN 0.477 nan 8.360 nan 0.000 0.458 265 G N 1.265 110.066 108.800 0.002 0.000 2.421 265 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 265 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 265 G C 1.494 176.393 174.900 -0.001 0.000 1.171 265 G CA 0.374 45.472 45.100 -0.003 0.000 0.775 265 G HN 0.174 nan 8.290 nan 0.000 0.543 266 L N 1.555 122.784 121.223 0.010 0.000 2.376 266 L HA 0.275 4.614 4.340 -0.000 0.000 0.219 266 L C 2.590 179.471 176.870 0.018 0.000 1.133 266 L CA 1.639 56.487 54.840 0.013 0.000 0.816 266 L CB -0.503 41.569 42.059 0.023 0.000 0.933 266 L HN 0.146 nan 8.230 nan 0.000 0.449 267 G N -0.882 107.929 108.800 0.019 0.000 2.430 267 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 267 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 267 G C 1.523 176.431 174.900 0.014 0.000 1.146 267 G CA 0.646 45.760 45.100 0.024 0.000 0.793 267 G HN 0.372 nan 8.290 nan 0.000 0.537 268 L N 0.636 121.859 121.223 0.000 0.000 2.034 268 L HA -0.011 4.329 4.340 -0.000 0.000 0.203 268 L C 3.006 179.870 176.870 -0.009 0.000 1.074 268 L CA 1.137 55.970 54.840 -0.011 0.000 0.748 268 L CB -0.382 41.663 42.059 -0.024 0.000 0.905 268 L HN 0.223 nan 8.230 nan 0.000 0.439 269 V N -2.690 117.217 119.914 -0.013 0.000 3.305 269 V HA -0.024 4.096 4.120 -0.000 0.000 0.269 269 V C 0.976 177.065 176.094 -0.009 0.000 1.157 269 V CA 0.583 62.873 62.300 -0.017 0.000 1.157 269 V CB -0.819 30.983 31.823 -0.035 0.000 0.772 269 V HN 0.358 nan 8.190 nan 0.000 0.498 270 N N 1.098 119.800 118.700 0.004 0.000 2.479 270 N HA 0.559 5.299 4.740 -0.000 0.000 0.285 270 N C 0.110 175.650 175.510 0.050 0.000 1.075 270 N CA 1.283 54.343 53.050 0.016 0.000 0.967 270 N CB 1.590 40.093 38.487 0.027 0.000 1.137 270 N HN 0.733 nan 8.380 nan 0.000 0.472 271 G N 0.587 109.435 108.800 0.080 0.000 2.347 271 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.341 271 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.341 271 G C -0.284 174.663 174.900 0.078 0.000 1.287 271 G CA 0.013 45.170 45.100 0.094 0.000 0.984 271 G HN 0.534 nan 8.290 nan 0.000 0.526 272 T N -2.585 112.005 114.554 0.060 0.000 3.296 272 T HA 0.643 4.993 4.350 -0.000 0.000 0.285 272 T C 1.871 176.581 174.700 0.017 0.000 1.014 272 T CA 1.134 63.260 62.100 0.043 0.000 0.920 272 T CB 0.719 69.612 68.868 0.043 0.000 1.143 272 T HN 1.955 nan 8.240 nan 0.000 0.522 273 A N 1.535 124.362 122.820 0.010 0.000 1.892 273 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 273 A C 2.319 179.899 177.584 -0.007 0.000 1.188 273 A CA 2.003 54.038 52.037 -0.004 0.000 0.631 273 A CB -1.131 17.864 19.000 -0.007 0.000 0.822 273 A HN 0.474 nan 8.150 nan 0.000 0.447 274 V N 0.363 120.276 119.914 -0.003 0.000 2.287 274 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 274 V C 2.789 178.877 176.094 -0.009 0.000 1.053 274 V CA 2.422 64.717 62.300 -0.008 0.000 1.027 274 V CB -1.107 30.712 31.823 -0.006 0.000 0.646 274 V HN 0.609 nan 8.190 nan 0.000 0.447 275 S N 0.956 116.655 115.700 -0.002 0.000 2.356 275 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 275 S C 2.249 176.844 174.600 -0.009 0.000 1.032 275 S CA 1.416 59.614 58.200 -0.003 0.000 1.005 275 S CB -0.689 62.515 63.200 0.007 0.000 0.867 275 S HN 0.651 nan 8.310 nan 0.000 0.449 276 A N 1.437 124.252 122.820 -0.010 0.000 1.972 276 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 276 A C 1.626 179.196 177.584 -0.023 0.000 1.169 276 A CA 1.239 53.265 52.037 -0.018 0.000 0.635 276 A CB -0.731 18.256 19.000 -0.021 0.000 0.810 276 A HN 0.451 nan 8.150 nan 0.000 0.446 280 T N 1.261 115.806 114.554 -0.015 0.000 2.746 280 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 280 T C 1.790 176.508 174.700 0.029 0.000 1.039 280 T CA 1.730 63.826 62.100 -0.007 0.000 1.142 280 T CB -0.253 68.600 68.868 -0.025 0.000 0.866 280 T HN 0.172 nan 8.240 nan 0.000 0.444 281 L N 1.220 122.446 121.223 0.005 0.000 2.017 281 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 281 L C 2.852 179.757 176.870 0.058 0.000 1.073 281 L CA 1.742 56.587 54.840 0.008 0.000 0.745 281 L CB -1.707 40.337 42.059 -0.025 0.000 0.894 281 L HN 0.244 nan 8.230 nan 0.000 0.432 282 A N -0.719 122.118 122.820 0.028 0.000 1.877 282 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 282 A C 2.276 179.870 177.584 0.017 0.000 1.186 282 A CA 1.786 53.835 52.037 0.021 0.000 0.620 282 A CB -0.874 18.126 19.000 -0.001 0.000 0.822 282 A HN 0.354 nan 8.150 nan 0.000 0.443 283 L N -0.590 120.637 121.223 0.007 0.000 2.046 283 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 283 L C 2.316 179.180 176.870 -0.010 0.000 1.077 283 L CA 2.866 57.672 54.840 -0.055 0.000 0.747 283 L CB -0.957 41.082 42.059 -0.035 0.000 0.896 283 L HN 0.664 nan 8.230 nan 0.000 0.432 284 H N -0.536 118.560 119.070 0.042 0.000 2.290 284 H HA -0.187 4.369 4.556 -0.000 0.000 0.298 284 H C 1.718 177.094 175.328 0.081 0.000 1.087 284 H CA 2.402 58.524 56.048 0.123 0.000 1.291 284 H CB -0.068 29.739 29.762 0.075 0.000 1.369 284 H HN 0.424 nan 8.280 nan 0.000 0.492 285 D N 0.221 120.718 120.400 0.161 0.000 2.219 285 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 285 D C 2.202 178.497 176.300 -0.008 0.000 0.970 285 D CA 1.045 55.090 54.000 0.075 0.000 0.851 285 D CB -0.499 40.356 40.800 0.091 0.000 0.943 285 D HN 0.589 nan 8.370 nan 0.000 0.488 286 A N 1.403 124.197 122.820 -0.044 0.000 1.902 286 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 286 A C 1.278 178.809 177.584 -0.089 0.000 1.181 286 A CA 0.922 52.909 52.037 -0.084 0.000 0.623 286 A CB -0.594 18.322 19.000 -0.140 0.000 0.818 286 A HN 0.218 nan 8.150 nan 0.000 0.443 290 S N 0.212 115.928 115.700 0.027 0.000 2.374 290 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 290 S C 1.921 176.538 174.600 0.028 0.000 1.037 290 S CA 1.980 60.203 58.200 0.039 0.000 1.024 290 S CB -0.123 63.107 63.200 0.050 0.000 0.861 290 S HN 0.348 nan 8.310 nan 0.000 0.456 291 L N 0.518 121.749 121.223 0.013 0.000 2.156 291 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 291 L C 2.443 179.301 176.870 -0.019 0.000 1.095 291 L CA 0.656 55.489 54.840 -0.010 0.000 0.770 291 L CB -0.478 41.563 42.059 -0.029 0.000 0.914 291 L HN 0.356 nan 8.230 nan 0.000 0.439 292 L N -0.915 120.299 121.223 -0.014 0.000 2.217 292 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 292 L C 2.607 179.467 176.870 -0.016 0.000 1.107 292 L CA 1.509 56.337 54.840 -0.020 0.000 0.783 292 L CB -0.391 41.662 42.059 -0.009 0.000 0.919 292 L HN 0.101 nan 8.230 nan 0.000 0.442 293 S N -1.038 114.670 115.700 0.014 0.000 2.368 293 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 293 S C 1.933 176.543 174.600 0.016 0.000 1.029 293 S CA 1.447 59.669 58.200 0.038 0.000 0.988 293 S CB -0.153 63.096 63.200 0.082 0.000 0.838 293 S HN 0.672 nan 8.310 nan 0.000 0.462 294 Q N 0.410 120.212 119.800 0.004 0.000 2.124 294 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 294 Q C 2.473 178.437 176.000 -0.060 0.000 0.977 294 Q CA 1.669 57.458 55.803 -0.023 0.000 0.850 294 Q CB -0.214 28.505 28.738 -0.032 0.000 0.901 294 Q HN 0.502 nan 8.270 nan 0.000 0.429 295 S N 1.055 116.721 115.700 -0.058 0.000 2.348 295 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 295 S C 1.952 176.499 174.600 -0.087 0.000 1.033 295 S CA 0.973 59.132 58.200 -0.068 0.000 1.010 295 S CB -0.323 62.843 63.200 -0.056 0.000 0.891 295 S HN 0.280 nan 8.310 nan 0.000 0.442 296 L N 1.147 122.296 121.223 -0.124 0.000 2.081 296 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 296 L C 2.643 179.429 176.870 -0.139 0.000 1.080 296 L CA 1.225 55.919 54.840 -0.243 0.000 0.754 296 L CB -1.152 40.622 42.059 -0.475 0.000 0.893 296 L HN 0.344 nan 8.230 nan 0.000 0.433 297 T N -0.235 114.289 114.554 -0.051 0.000 2.746 297 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 297 T C 1.119 175.801 174.700 -0.030 0.000 1.039 297 T CA 0.861 62.968 62.100 0.011 0.000 1.142 297 T CB -0.204 68.678 68.868 0.023 0.000 0.866 297 T HN 0.431 nan 8.240 nan 0.000 0.444 301 V N 1.317 121.239 119.914 0.014 0.000 2.490 301 V HA -0.022 4.098 4.120 -0.000 0.000 0.250 301 V C 1.942 178.027 176.094 -0.016 0.000 1.061 301 V CA 2.056 64.375 62.300 0.033 0.000 1.064 301 V CB -0.673 31.221 31.823 0.118 0.000 0.670 301 V HN 0.514 nan 8.190 nan 0.000 0.461 302 E N 1.648 121.821 120.200 -0.044 0.000 2.028 302 E HA 0.091 4.441 4.350 -0.000 0.000 0.190 302 E C 1.667 178.053 176.600 -0.357 0.000 0.984 302 E CA 0.991 57.342 56.400 -0.083 0.000 0.800 302 E CB -0.296 29.387 29.700 -0.028 0.000 0.758 302 E HN 0.767 nan 8.360 nan 0.000 0.448 306 G N -0.745 108.005 108.800 -0.084 0.000 2.621 306 G HA2 0.414 4.374 3.960 -0.000 0.000 0.271 306 G HA3 0.414 4.374 3.960 -0.000 0.000 0.271 306 G C -0.458 174.323 174.900 -0.197 0.000 1.236 306 G CA -0.261 44.759 45.100 -0.134 0.000 0.958 306 G HN 0.422 nan 8.290 nan 0.000 0.512 307 H N 0.088 119.190 119.070 0.055 0.000 2.552 307 H HA 0.369 4.925 4.556 -0.000 0.000 0.311 307 H C 1.113 176.479 175.328 0.064 0.000 1.071 307 H CA 0.097 56.163 56.048 0.029 0.000 1.307 307 H CB 1.606 31.368 29.762 -0.001 0.000 1.416 307 H HN 0.505 nan 8.280 nan 0.000 0.464 308 A N 3.463 126.366 122.820 0.138 0.000 2.066 308 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 308 A C 2.465 180.186 177.584 0.229 0.000 1.157 308 A CA 1.120 53.284 52.037 0.211 0.000 0.670 308 A CB -0.622 18.331 19.000 -0.079 0.000 0.804 308 A HN 0.814 nan 8.150 nan 0.000 0.453 309 G N -0.072 108.797 108.800 0.115 0.000 2.507 309 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 309 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 309 G C 1.706 176.598 174.900 -0.014 0.000 1.119 309 G CA 1.343 46.476 45.100 0.055 0.000 0.751 309 G HN 0.488 nan 8.290 nan 0.000 0.574 310 S N 0.446 116.029 115.700 -0.195 0.000 2.420 310 S HA -0.093 4.377 4.470 -0.000 0.000 0.237 310 S C 1.425 175.739 174.600 -0.475 0.000 1.023 310 S CA 1.088 59.007 58.200 -0.468 0.000 0.991 310 S CB -0.318 62.395 63.200 -0.812 0.000 0.792 310 S HN 0.475 nan 8.310 nan 0.000 0.488 311 F N 0.015 120.115 119.950 0.250 0.000 2.641 311 F HA 0.275 4.802 4.527 -0.000 0.000 0.302 311 F C 1.030 177.032 175.800 0.336 0.000 1.098 311 F CA -0.640 57.563 58.000 0.338 0.000 1.318 311 F CB -0.303 38.788 39.000 0.152 0.000 1.035 311 F HN 0.188 nan 8.300 nan 0.000 0.551 312 H N 3.548 122.758 119.070 0.234 0.000 2.928 312 H HA 0.019 4.575 4.556 -0.000 0.000 0.338 312 H C -1.768 173.676 175.328 0.192 0.000 1.047 312 H CA -1.121 55.034 56.048 0.177 0.000 1.435 312 H CB 1.451 31.267 29.762 0.089 0.000 1.428 312 H HN -0.030 nan 8.280 nan 0.000 0.590 313 P HA -0.154 nan 4.420 nan 0.000 0.223 313 P C 1.245 178.646 177.300 0.169 0.000 1.144 313 P CA 0.972 64.096 63.100 0.039 0.000 0.783 313 P CB -0.200 31.445 31.700 -0.091 0.000 0.771 314 F N -0.132 120.010 119.950 0.319 0.000 2.206 314 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 314 F C 1.754 177.554 175.800 0.001 0.000 1.090 314 F CA 1.170 59.279 58.000 0.183 0.000 1.323 314 F CB -0.462 38.640 39.000 0.169 0.000 1.028 314 F HN -0.254 nan 8.300 nan 0.000 0.492 315 L N -0.696 120.502 121.223 -0.041 0.000 2.376 315 L HA -0.124 4.216 4.340 -0.000 0.000 0.219 315 L C 1.840 178.359 176.870 -0.586 0.000 1.133 315 L CA 0.571 55.176 54.840 -0.392 0.000 0.816 315 L CB -0.512 41.222 42.059 -0.542 0.000 0.933 315 L HN 0.287 nan 8.230 nan 0.000 0.449 316 H N -1.929 117.143 119.070 0.002 0.000 2.162 316 H HA 0.105 4.661 4.556 -0.000 0.000 0.228 316 H C 1.370 176.677 175.328 -0.036 0.000 0.941 316 H CA 0.327 56.375 56.048 0.001 0.000 1.213 316 H CB -0.334 29.460 29.762 0.052 0.000 1.318 316 H HN 0.069 nan 8.280 nan 0.000 0.496 317 D N 1.137 121.601 120.400 0.107 0.000 2.182 317 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 317 D C 2.089 178.362 176.300 -0.045 0.000 0.986 317 D CA 0.918 54.938 54.000 0.032 0.000 0.847 317 D CB 0.123 40.947 40.800 0.040 0.000 0.942 317 D HN 0.098 nan 8.370 nan 0.000 0.467 318 V N -0.316 119.521 119.914 -0.129 0.000 2.490 318 V HA -0.078 4.042 4.120 -0.000 0.000 0.238 318 V C 2.347 178.266 176.094 -0.293 0.000 1.056 318 V CA 1.368 63.532 62.300 -0.228 0.000 1.075 318 V CB -0.667 30.931 31.823 -0.373 0.000 0.746 318 V HN 0.129 nan 8.190 nan 0.000 0.479 319 T N -0.348 113.959 114.554 -0.412 0.000 2.668 319 T HA -0.112 4.238 4.350 -0.000 0.000 0.262 319 T C 1.260 175.857 174.700 -0.172 0.000 1.045 319 T CA 1.309 63.210 62.100 -0.332 0.000 1.152 319 T CB -0.072 68.567 68.868 -0.381 0.000 0.864 319 T HN 0.176 nan 8.240 nan 0.000 0.419 320 R N 1.880 122.315 120.500 -0.107 0.000 2.564 320 R HA 0.206 4.546 4.340 -0.000 0.000 0.282 320 R C -2.523 173.745 176.300 -0.053 0.000 1.573 320 R CA -1.820 54.248 56.100 -0.054 0.000 1.588 320 R CB 1.170 31.507 30.300 0.062 0.000 1.154 320 R HN 0.151 nan 8.270 nan 0.000 0.606 321 P HA -0.120 nan 4.420 nan 0.000 0.297 321 P C -0.753 176.468 177.300 -0.131 0.000 1.544 321 P CA 0.352 63.388 63.100 -0.107 0.000 0.798 321 P CB -0.205 31.428 31.700 -0.112 0.000 1.757 322 H N 0.922 120.002 119.070 0.016 0.000 2.878 322 H HA 0.089 4.645 4.556 -0.000 0.000 0.290 322 H C -1.259 174.076 175.328 0.012 0.000 1.065 322 H CA -1.458 54.597 56.048 0.011 0.000 1.477 322 H CB 0.540 30.309 29.762 0.012 0.000 1.484 322 H HN 0.085 nan 8.280 nan 0.000 0.504 323 P HA -0.235 nan 4.420 nan 0.000 0.219 323 P C 1.609 178.943 177.300 0.056 0.000 1.161 323 P CA 2.634 65.770 63.100 0.061 0.000 0.909 323 P CB 0.153 31.882 31.700 0.049 0.000 0.793 324 T N -3.731 110.861 114.554 0.062 0.000 2.985 324 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 324 T C 1.949 176.666 174.700 0.028 0.000 1.076 324 T CA 0.869 62.989 62.100 0.035 0.000 1.135 324 T CB -0.826 68.056 68.868 0.024 0.000 0.890 324 T HN 0.183 nan 8.240 nan 0.000 0.480 325 Q N 0.614 120.448 119.800 0.057 0.000 2.119 325 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 325 Q C 2.245 178.228 176.000 -0.028 0.000 0.972 325 Q CA 1.151 56.973 55.803 0.032 0.000 0.847 325 Q CB -0.327 28.480 28.738 0.115 0.000 0.903 325 Q HN 0.628 nan 8.270 nan 0.000 0.433 326 I N 0.661 121.248 120.570 0.029 0.000 2.179 326 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 326 I C 2.494 178.606 176.117 -0.008 0.000 1.088 326 I CA 1.468 62.783 61.300 0.026 0.000 1.357 326 I CB -0.359 37.671 38.000 0.050 0.000 1.051 326 I HN 0.400 nan 8.210 nan 0.000 0.409 327 E N 0.954 121.152 120.200 -0.003 0.000 2.038 327 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 327 E C 2.295 178.880 176.600 -0.026 0.000 1.000 327 E CA 1.833 58.226 56.400 -0.011 0.000 0.803 327 E CB 0.099 29.795 29.700 -0.006 0.000 0.750 327 E HN 0.250 nan 8.360 nan 0.000 0.448 328 V N 1.277 121.173 119.914 -0.030 0.000 2.295 328 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 328 V C 2.505 178.567 176.094 -0.053 0.000 1.049 328 V CA 1.826 64.107 62.300 -0.032 0.000 1.024 328 V CB -0.827 30.993 31.823 -0.004 0.000 0.648 328 V HN 0.472 nan 8.190 nan 0.000 0.447 329 A N 0.483 123.248 122.820 -0.091 0.000 1.933 329 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 329 A C 2.393 179.979 177.584 0.003 0.000 1.175 329 A CA 1.925 53.930 52.037 -0.052 0.000 0.628 329 A CB -1.120 17.638 19.000 -0.404 0.000 0.814 329 A HN 0.538 nan 8.150 nan 0.000 0.444 330 G N -0.062 108.728 108.800 -0.016 0.000 2.402 330 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 330 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 330 G C 1.403 176.284 174.900 -0.032 0.000 1.162 330 G CA 0.993 46.091 45.100 -0.004 0.000 0.777 330 G HN 0.532 nan 8.290 nan 0.000 0.539 331 N N 0.724 119.392 118.700 -0.054 0.000 2.142 331 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 331 N C 2.218 177.659 175.510 -0.115 0.000 1.023 331 N CA 0.758 53.767 53.050 -0.069 0.000 0.852 331 N CB -0.233 38.215 38.487 -0.065 0.000 0.998 331 N HN 0.349 nan 8.380 nan 0.000 0.424 332 I N 0.747 121.199 120.570 -0.196 0.000 2.315 332 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 332 I C 2.615 178.542 176.117 -0.318 0.000 1.117 332 I CA 0.632 61.710 61.300 -0.370 0.000 1.404 332 I CB -0.156 37.386 38.000 -0.764 0.000 1.071 332 I HN 0.092 nan 8.210 nan 0.000 0.419 333 R N 1.687 122.081 120.500 -0.176 0.000 2.083 333 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 333 R C 2.354 178.653 176.300 -0.002 0.000 1.137 333 R CA 1.844 57.933 56.100 -0.017 0.000 0.951 333 R CB -0.185 30.161 30.300 0.078 0.000 0.851 333 R HN 0.228 nan 8.270 nan 0.000 0.434 334 K N 0.543 120.931 120.400 -0.019 0.000 2.097 334 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 334 K C 2.059 178.657 176.600 -0.003 0.000 1.049 334 K CA 1.379 57.664 56.287 -0.004 0.000 0.933 334 K CB -0.075 32.417 32.500 -0.015 0.000 0.717 334 K HN 0.246 nan 8.250 nan 0.000 0.442 335 L N 0.579 121.781 121.223 -0.035 0.000 2.217 335 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 335 L C 2.019 178.895 176.870 0.010 0.000 1.107 335 L CA 0.144 54.970 54.840 -0.023 0.000 0.783 335 L CB -0.152 41.871 42.059 -0.059 0.000 0.919 335 L HN 0.166 nan 8.230 nan 0.000 0.442 336 L N -0.308 120.921 121.223 0.010 0.000 2.418 336 L HA 0.049 4.389 4.340 -0.000 0.000 0.218 336 L C 0.995 177.979 176.870 0.190 0.000 1.125 336 L CA 0.711 55.597 54.840 0.077 0.000 0.835 336 L CB -0.517 41.562 42.059 0.033 0.000 0.953 336 L HN 0.174 nan 8.230 nan 0.000 0.454 337 E N -0.258 120.034 120.200 0.154 0.000 2.558 337 E HA 0.228 4.578 4.350 -0.000 0.000 0.255 337 E C 1.166 177.837 176.600 0.120 0.000 0.968 337 E CA 0.742 57.238 56.400 0.161 0.000 0.939 337 E CB -0.026 29.727 29.700 0.088 0.000 0.921 337 E HN 0.373 nan 8.360 nan 0.000 0.477 338 G N 2.948 111.801 108.800 0.088 0.000 2.176 338 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 338 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 338 G C 0.412 175.372 174.900 0.100 0.000 0.979 338 G CA 0.295 45.422 45.100 0.045 0.000 0.641 338 G HN 0.564 nan 8.290 nan 0.000 0.530 339 S N -0.240 115.590 115.700 0.217 0.000 2.531 339 S HA 0.485 4.955 4.470 -0.000 0.000 0.279 339 S C 1.442 176.209 174.600 0.279 0.000 1.305 339 S CA 0.101 58.456 58.200 0.258 0.000 1.058 339 S CB 0.654 64.034 63.200 0.300 0.000 0.899 339 S HN 0.419 nan 8.310 nan 0.000 0.493 340 R N 2.924 123.531 120.500 0.179 0.000 2.334 340 R HA 0.176 4.516 4.340 -0.000 0.000 0.216 340 R C 0.387 176.805 176.300 0.198 0.000 0.905 340 R CA 0.263 56.464 56.100 0.168 0.000 1.064 340 R CB 0.086 30.481 30.300 0.158 0.000 1.046 340 R HN 0.617 nan 8.270 nan 0.000 0.508 341 F N 0.723 120.831 119.950 0.263 0.000 2.222 341 F HA 0.270 4.797 4.527 -0.000 0.000 0.285 341 F C 1.440 177.332 175.800 0.153 0.000 1.068 341 F CA -0.165 57.956 58.000 0.202 0.000 1.265 341 F CB -0.586 38.445 39.000 0.051 0.000 1.087 341 F HN -0.138 nan 8.300 nan 0.000 0.511 342 A N 0.917 123.929 122.820 0.320 0.000 2.483 342 A HA 0.392 4.712 4.320 -0.000 0.000 0.238 342 A C -0.165 177.471 177.584 0.086 0.000 1.070 342 A CA -0.299 51.810 52.037 0.122 0.000 0.770 342 A CB -0.099 18.913 19.000 0.020 0.000 1.008 342 A HN 0.006 nan 8.150 nan 0.000 0.497 343 V N 2.553 122.472 119.914 0.007 0.000 2.583 343 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 343 V C 0.679 176.789 176.094 0.028 0.000 1.051 343 V CA 0.329 62.679 62.300 0.084 0.000 1.010 343 V CB 0.694 32.546 31.823 0.048 0.000 0.988 343 V HN 1.040 nan 8.190 nan 0.000 0.478 344 H N 1.444 120.635 119.070 0.201 0.000 2.750 344 H HA 0.310 4.866 4.556 -0.000 0.000 0.263 344 H C 0.152 175.464 175.328 -0.026 0.000 0.964 344 H CA 0.310 56.444 56.048 0.144 0.000 1.205 344 H CB 0.387 30.270 29.762 0.202 0.000 1.454 344 H HN 0.760 nan 8.280 nan 0.000 0.503 360 Q N -0.523 119.303 119.800 0.043 0.000 4.037 360 Q HA 0.221 4.561 4.340 -0.000 0.000 0.128 360 Q C -2.137 173.967 176.000 0.174 0.000 0.860 360 Q CA -0.004 55.868 55.803 0.116 0.000 1.056 360 Q CB 0.142 28.949 28.738 0.116 0.000 1.471 360 Q HN 0.643 nan 8.270 nan 0.000 0.563 361 D N 0.455 120.943 120.400 0.148 0.000 2.646 361 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 361 D C -0.717 175.646 176.300 0.104 0.000 1.099 361 D CA -0.530 53.546 54.000 0.128 0.000 0.849 361 D CB 1.451 42.344 40.800 0.155 0.000 1.448 361 D HN 0.184 nan 8.370 nan 0.000 0.489 362 R N 1.462 122.009 120.500 0.078 0.000 2.707 362 R HA 0.163 4.503 4.340 -0.000 0.000 0.270 362 R C 0.804 177.222 176.300 0.196 0.000 1.083 362 R CA -0.045 56.108 56.100 0.088 0.000 1.182 362 R CB 0.202 30.497 30.300 -0.009 0.000 1.084 362 R HN 0.423 nan 8.270 nan 0.000 0.528 363 Y N 1.686 121.957 120.300 -0.049 0.000 2.114 363 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 363 Y C -0.744 175.101 175.900 -0.093 0.000 1.165 363 Y CA 1.349 59.411 58.100 -0.064 0.000 1.148 363 Y CB -1.690 36.721 38.460 -0.082 0.000 0.972 363 Y HN 0.618 nan 8.280 nan 0.000 0.504 364 P HA -0.182 nan 4.420 nan 0.000 0.218 364 P C 1.561 178.871 177.300 0.017 0.000 1.146 364 P CA 1.782 64.849 63.100 -0.055 0.000 0.813 364 P CB -0.041 31.604 31.700 -0.091 0.000 0.778 365 L N -1.659 119.604 121.223 0.067 0.000 2.349 365 L HA 0.179 4.519 4.340 -0.000 0.000 0.200 365 L C 3.010 179.953 176.870 0.121 0.000 1.064 365 L CA 0.242 55.164 54.840 0.137 0.000 0.821 365 L CB -0.543 41.596 42.059 0.134 0.000 1.027 365 L HN -0.207 nan 8.230 nan 0.000 0.476 366 R N 0.364 120.889 120.500 0.042 0.000 2.120 366 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 366 R C 1.688 177.942 176.300 -0.076 0.000 1.123 366 R CA 1.887 57.949 56.100 -0.064 0.000 0.975 366 R CB -0.012 30.278 30.300 -0.017 0.000 0.866 366 R HN 0.417 nan 8.270 nan 0.000 0.446 367 T N -2.362 112.175 114.554 -0.029 0.000 3.134 367 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 367 T C 1.444 176.210 174.700 0.111 0.000 1.027 367 T CA 0.341 62.432 62.100 -0.015 0.000 0.913 367 T CB 0.461 69.249 68.868 -0.133 0.000 1.046 367 T HN 0.174 nan 8.240 nan 0.000 0.553 368 S N 2.227 118.018 115.700 0.152 0.000 2.400 368 S HA -0.011 4.459 4.470 -0.000 0.000 0.232 368 S C -0.785 173.963 174.600 0.247 0.000 1.025 368 S CA 0.711 59.046 58.200 0.225 0.000 0.993 368 S CB -1.608 61.740 63.200 0.247 0.000 0.808 368 S HN 0.434 nan 8.310 nan 0.000 0.478 369 P HA -0.041 nan 4.420 nan 0.000 0.220 369 P C 1.548 178.911 177.300 0.104 0.000 1.152 369 P CA 0.959 64.128 63.100 0.114 0.000 0.812 369 P CB -0.136 31.541 31.700 -0.038 0.000 0.792 370 Q N -1.740 118.146 119.800 0.144 0.000 2.451 370 Q HA -0.086 4.254 4.340 -0.000 0.000 0.206 370 Q C 1.704 177.787 176.000 0.139 0.000 0.947 370 Q CA 0.704 56.576 55.803 0.115 0.000 0.937 370 Q CB -1.062 27.742 28.738 0.109 0.000 1.025 370 Q HN 0.480 nan 8.270 nan 0.000 0.511 371 W N 1.173 122.478 121.300 0.007 0.000 2.588 371 W HA 0.152 4.812 4.660 -0.000 0.000 0.277 371 W C 1.170 177.696 176.519 0.011 0.000 1.221 371 W CA 0.290 57.642 57.345 0.011 0.000 1.355 371 W CB 0.258 29.740 29.460 0.036 0.000 1.083 371 W HN 0.080 nan 8.180 nan 0.000 0.581 372 L N 0.178 121.529 121.223 0.213 0.000 2.249 372 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 372 L C 2.739 179.618 176.870 0.015 0.000 1.090 372 L CA 0.888 55.794 54.840 0.110 0.000 0.802 372 L CB -1.337 40.815 42.059 0.154 0.000 0.947 372 L HN -0.070 nan 8.230 nan 0.000 0.453 373 G N 1.672 110.480 108.800 0.012 0.000 2.631 373 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 373 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 373 G C -0.685 174.178 174.900 -0.061 0.000 1.214 373 G CA 1.109 46.198 45.100 -0.019 0.000 0.785 373 G HN 0.281 nan 8.290 nan 0.000 0.596 374 P HA -0.087 nan 4.420 nan 0.000 0.216 374 P C 1.935 179.166 177.300 -0.115 0.000 1.153 374 P CA 0.817 63.829 63.100 -0.147 0.000 0.858 374 P CB -0.076 31.497 31.700 -0.211 0.000 0.789 375 L N -1.161 119.993 121.223 -0.114 0.000 1.994 375 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 375 L C 2.502 179.353 176.870 -0.032 0.000 1.071 375 L CA 1.678 56.470 54.840 -0.079 0.000 0.745 375 L CB -1.853 40.169 42.059 -0.063 0.000 0.892 375 L HN -0.130 nan 8.230 nan 0.000 0.431 376 V N -1.237 118.671 119.914 -0.010 0.000 2.332 376 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 376 V C 2.757 178.869 176.094 0.030 0.000 1.055 376 V CA 1.914 64.227 62.300 0.021 0.000 1.038 376 V CB -0.731 31.106 31.823 0.024 0.000 0.651 376 V HN 0.492 nan 8.190 nan 0.000 0.450 377 S N -0.648 115.058 115.700 0.009 0.000 2.370 377 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 377 S C 1.797 176.423 174.600 0.043 0.000 1.033 377 S CA 1.741 59.957 58.200 0.026 0.000 1.011 377 S CB -0.451 62.752 63.200 0.004 0.000 0.852 377 S HN 0.644 nan 8.310 nan 0.000 0.457 378 D N 1.107 121.507 120.400 -0.000 0.000 2.117 378 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 378 D C 1.946 178.280 176.300 0.056 0.000 0.987 378 D CA 0.894 54.889 54.000 -0.008 0.000 0.829 378 D CB -0.371 40.395 40.800 -0.057 0.000 0.961 378 D HN 0.380 nan 8.370 nan 0.000 0.460 379 L N 0.365 121.616 121.223 0.047 0.000 2.046 379 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 379 L C 2.520 179.502 176.870 0.186 0.000 1.077 379 L CA 0.709 55.583 54.840 0.056 0.000 0.747 379 L CB -0.266 41.794 42.059 0.002 0.000 0.896 379 L HN 0.024 nan 8.230 nan 0.000 0.432 380 I N -1.130 119.553 120.570 0.188 0.000 2.361 380 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 380 I C 2.668 178.898 176.117 0.188 0.000 1.133 380 I CA 0.981 62.389 61.300 0.181 0.000 1.413 380 I CB -0.524 37.531 38.000 0.093 0.000 1.073 380 I HN 0.384 nan 8.210 nan 0.000 0.424 381 H N 1.604 120.720 119.070 0.076 0.000 2.357 381 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 381 H C 2.191 177.558 175.328 0.066 0.000 1.082 381 H CA 1.767 57.849 56.048 0.057 0.000 1.342 381 H CB 0.201 29.979 29.762 0.027 0.000 1.389 381 H HN 0.298 nan 8.280 nan 0.000 0.511 382 A N 0.110 123.092 122.820 0.269 0.000 1.933 382 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 382 A C 2.267 179.917 177.584 0.110 0.000 1.175 382 A CA 1.821 53.962 52.037 0.173 0.000 0.628 382 A CB -1.073 17.988 19.000 0.101 0.000 0.814 382 A HN 0.674 nan 8.150 nan 0.000 0.444 383 H N -0.434 118.686 119.070 0.084 0.000 2.387 383 H HA 0.053 4.609 4.556 -0.000 0.000 0.299 383 H C 2.192 177.535 175.328 0.024 0.000 1.090 383 H CA 1.647 57.753 56.048 0.096 0.000 1.332 383 H CB -0.070 29.795 29.762 0.172 0.000 1.386 383 H HN 0.437 nan 8.280 nan 0.000 0.516 384 A N -0.227 122.659 122.820 0.111 0.000 1.898 384 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 384 A C 2.570 180.114 177.584 -0.066 0.000 1.181 384 A CA 1.541 53.580 52.037 0.003 0.000 0.620 384 A CB -0.752 18.193 19.000 -0.093 0.000 0.819 384 A HN 0.311 nan 8.150 nan 0.000 0.442 385 V N 0.170 120.027 119.914 -0.094 0.000 2.270 385 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 385 V C 2.534 178.595 176.094 -0.056 0.000 1.043 385 V CA 1.874 64.130 62.300 -0.072 0.000 1.014 385 V CB -0.839 30.969 31.823 -0.025 0.000 0.645 385 V HN 0.553 nan 8.190 nan 0.000 0.447 386 L N 0.743 121.927 121.223 -0.065 0.000 2.131 386 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 386 L C 2.793 179.597 176.870 -0.109 0.000 1.092 386 L CA 1.960 56.748 54.840 -0.087 0.000 0.759 386 L CB -1.052 40.944 42.059 -0.106 0.000 0.903 386 L HN 0.616 nan 8.230 nan 0.000 0.435 387 T N -2.500 111.974 114.554 -0.134 0.000 2.867 387 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 387 T C 1.750 176.418 174.700 -0.054 0.000 1.057 387 T CA 0.871 62.911 62.100 -0.100 0.000 1.136 387 T CB -0.309 68.521 68.868 -0.064 0.000 0.874 387 T HN 0.227 nan 8.240 nan 0.000 0.466 388 I N 0.944 121.486 120.570 -0.047 0.000 2.333 388 I HA -0.004 4.166 4.170 -0.000 0.000 0.246 388 I C 2.857 178.948 176.117 -0.044 0.000 1.106 388 I CA 1.353 62.631 61.300 -0.036 0.000 1.411 388 I CB -0.243 37.737 38.000 -0.032 0.000 1.082 388 I HN 0.260 nan 8.210 nan 0.000 0.420 389 E N 1.540 121.712 120.200 -0.046 0.000 2.047 389 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 389 E C 2.051 178.623 176.600 -0.047 0.000 0.987 389 E CA 1.842 58.216 56.400 -0.043 0.000 0.799 389 E CB -0.101 29.578 29.700 -0.036 0.000 0.752 389 E HN 0.394 nan 8.360 nan 0.000 0.449 390 A N -0.682 122.106 122.820 -0.053 0.000 2.021 390 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 390 A C 2.192 179.740 177.584 -0.060 0.000 1.163 390 A CA 1.206 53.211 52.037 -0.053 0.000 0.676 390 A CB -0.356 18.612 19.000 -0.054 0.000 0.818 390 A HN 0.381 nan 8.150 nan 0.000 0.453 391 G N -1.473 107.290 108.800 -0.062 0.000 2.743 391 G HA2 0.234 4.194 3.960 -0.000 0.000 0.206 391 G HA3 0.234 4.194 3.960 -0.000 0.000 0.206 391 G C 0.915 175.752 174.900 -0.105 0.000 1.115 391 G CA 0.245 45.305 45.100 -0.067 0.000 0.782 391 G HN 0.514 nan 8.290 nan 0.000 0.524 392 Q N 0.540 120.281 119.800 -0.099 0.000 2.158 392 Q HA 0.433 4.773 4.340 -0.000 0.000 0.306 392 Q C -0.810 175.117 176.000 -0.123 0.000 0.878 392 Q CA -0.112 55.606 55.803 -0.142 0.000 1.136 392 Q CB 1.532 30.254 28.738 -0.026 0.000 1.253 392 Q HN 0.157 nan 8.270 nan 0.000 0.441 393 S N -0.012 115.622 115.700 -0.112 0.000 2.549 393 S HA 0.544 5.014 4.470 -0.000 0.000 0.280 393 S C -0.561 174.010 174.600 -0.048 0.000 1.109 393 S CA -0.636 57.526 58.200 -0.065 0.000 0.905 393 S CB 2.039 65.211 63.200 -0.046 0.000 1.081 393 S HN 0.014 nan 8.310 nan 0.000 0.477 394 T N 2.139 116.691 114.554 -0.003 0.000 2.821 394 T HA 0.349 4.699 4.350 -0.000 0.000 0.307 394 T C 0.800 175.514 174.700 0.023 0.000 1.034 394 T CA -0.556 61.566 62.100 0.038 0.000 0.953 394 T CB 0.647 69.609 68.868 0.158 0.000 0.968 394 T HN 0.702 nan 8.240 nan 0.000 0.462 395 T N -0.331 114.240 114.554 0.028 0.000 3.251 395 T HA 0.253 4.603 4.350 -0.000 0.000 0.259 395 T C 0.072 174.839 174.700 0.112 0.000 0.998 395 T CA -0.614 61.513 62.100 0.044 0.000 0.905 395 T CB -0.054 68.840 68.868 0.043 0.000 1.067 395 T HN 0.277 nan 8.240 nan 0.000 0.569 396 D N 1.732 122.197 120.400 0.108 0.000 2.539 396 D HA 0.608 5.248 4.640 -0.000 0.000 0.276 396 D C -0.271 176.147 176.300 0.196 0.000 1.206 396 D CA -0.582 53.508 54.000 0.149 0.000 1.081 396 D CB 0.542 41.401 40.800 0.099 0.000 1.142 396 D HN 0.305 nan 8.370 nan 0.000 0.595 397 N N -1.176 117.635 118.700 0.185 0.000 2.827 397 N HA 0.299 5.039 4.740 -0.000 0.000 0.248 397 N C -2.964 172.620 175.510 0.124 0.000 1.074 397 N CA -0.815 52.349 53.050 0.190 0.000 1.042 397 N CB 1.533 40.255 38.487 0.391 0.000 1.684 397 N HN -0.040 nan 8.380 nan 0.000 0.542 398 P HA 0.373 nan 4.420 nan 0.000 0.277 398 P C -0.825 176.475 177.300 0.001 0.000 1.271 398 P CA -0.381 62.692 63.100 -0.045 0.000 0.795 398 P CB 0.742 32.273 31.700 -0.282 0.000 1.101 399 L N 1.210 122.427 121.223 -0.009 0.000 2.313 399 L HA 0.415 4.755 4.340 -0.000 0.000 0.283 399 L C -0.191 176.703 176.870 0.041 0.000 1.013 399 L CA -0.952 53.903 54.840 0.025 0.000 0.816 399 L CB 1.028 43.075 42.059 -0.021 0.000 1.236 399 L HN 0.155 nan 8.230 nan 0.000 0.419 400 I N 2.195 122.807 120.570 0.071 0.000 2.352 400 I HA 0.093 4.263 4.170 -0.000 0.000 0.290 400 I C 0.070 176.203 176.117 0.026 0.000 1.036 400 I CA 0.071 61.411 61.300 0.067 0.000 1.336 400 I CB 1.008 39.077 38.000 0.115 0.000 1.407 400 I HN 0.567 nan 8.210 nan 0.000 0.497 401 D N 6.775 127.161 120.400 -0.023 0.000 2.540 401 D HA 0.216 4.856 4.640 -0.000 0.000 0.251 401 D C 1.096 177.266 176.300 -0.216 0.000 1.159 401 D CA -0.408 53.571 54.000 -0.036 0.000 0.974 401 D CB 0.720 41.584 40.800 0.107 0.000 0.996 401 D HN 0.254 nan 8.370 nan 0.000 0.512 402 V N 2.428 122.170 119.914 -0.287 0.000 2.233 402 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 402 V C 2.363 178.248 176.094 -0.348 0.000 1.063 402 V CA 2.306 64.305 62.300 -0.501 0.000 1.032 402 V CB -0.620 31.044 31.823 -0.264 0.000 0.645 402 V HN 0.630 nan 8.190 nan 0.000 0.446 403 E N 0.343 120.445 120.200 -0.164 0.000 2.113 403 E HA -0.315 4.035 4.350 -0.000 0.000 0.210 403 E C 1.668 178.210 176.600 -0.096 0.000 1.040 403 E CA 2.296 58.640 56.400 -0.095 0.000 0.847 403 E CB -0.263 29.410 29.700 -0.044 0.000 0.755 403 E HN 0.768 nan 8.360 nan 0.000 0.459 404 N N -0.134 118.509 118.700 -0.095 0.000 2.268 404 N HA 0.036 4.776 4.740 -0.000 0.000 0.204 404 N C -0.644 174.818 175.510 -0.079 0.000 1.124 404 N CA 0.040 53.056 53.050 -0.056 0.000 0.838 404 N CB 0.356 38.840 38.487 -0.004 0.000 0.994 404 N HN 0.094 nan 8.380 nan 0.000 0.489 405 K N 0.394 120.665 120.400 -0.216 0.000 3.035 405 K HA -0.142 4.178 4.320 -0.000 0.000 0.262 405 K C -0.913 175.737 176.600 0.084 0.000 1.024 405 K CA 0.594 56.782 56.287 -0.165 0.000 0.748 405 K CB -1.882 30.704 32.500 0.143 0.000 1.247 405 K HN 0.168 nan 8.250 nan 0.000 0.482 406 T N -0.364 114.146 114.554 -0.074 0.000 2.886 406 T HA 0.309 4.659 4.350 -0.000 0.000 0.292 406 T C -0.650 173.929 174.700 -0.202 0.000 1.012 406 T CA -0.761 61.283 62.100 -0.094 0.000 0.982 406 T CB 2.046 70.776 68.868 -0.230 0.000 1.018 406 T HN 0.103 nan 8.240 nan 0.000 0.451 407 S N 2.443 118.051 115.700 -0.154 0.000 2.438 407 S HA 0.352 4.822 4.470 -0.000 0.000 0.293 407 S C -0.604 173.768 174.600 -0.379 0.000 1.141 407 S CA -0.715 57.383 58.200 -0.170 0.000 1.080 407 S CB 0.033 63.207 63.200 -0.044 0.000 0.978 407 S HN 0.616 nan 8.310 nan 0.000 0.479 408 H N 3.869 122.842 119.070 -0.161 0.000 2.463 408 H HA 0.321 4.877 4.556 -0.000 0.000 0.332 408 H C -0.388 174.768 175.328 -0.287 0.000 1.127 408 H CA -0.447 55.508 56.048 -0.155 0.000 1.238 408 H CB 0.885 30.596 29.762 -0.085 0.000 1.478 408 H HN 0.663 nan 8.280 nan 0.000 0.499 409 H N 1.727 120.888 119.070 0.151 0.000 2.638 409 H HA 0.333 4.889 4.556 -0.000 0.000 0.303 409 H C 0.423 175.808 175.328 0.095 0.000 1.034 409 H CA -0.363 55.755 56.048 0.118 0.000 1.225 409 H CB 1.538 31.355 29.762 0.092 0.000 1.394 409 H HN 0.861 nan 8.280 nan 0.000 0.477 410 G N 0.832 109.720 108.800 0.147 0.000 3.183 410 G HA2 0.466 4.426 3.960 -0.000 0.000 0.247 410 G HA3 0.466 4.426 3.960 -0.000 0.000 0.247 410 G C -0.279 174.584 174.900 -0.062 0.000 1.211 410 G CA -0.534 44.587 45.100 0.035 0.000 0.835 410 G HN 0.511 nan 8.290 nan 0.000 0.604 411 G N 0.068 108.682 108.800 -0.310 0.000 4.855 411 G HA2 0.296 4.256 3.960 -0.000 0.000 0.275 411 G HA3 0.296 4.256 3.960 -0.000 0.000 0.275 411 G C 0.016 174.352 174.900 -0.941 0.000 1.282 411 G CA -0.308 44.233 45.100 -0.931 0.000 0.930 411 G HN 0.267 nan 8.290 nan 0.000 0.575 412 N N 0.807 119.146 118.700 -0.601 0.000 2.515 412 N HA 0.014 4.754 4.740 -0.000 0.000 0.191 412 N C 1.286 176.660 175.510 -0.226 0.000 1.182 412 N CA 0.141 53.001 53.050 -0.317 0.000 0.879 412 N CB -0.018 38.388 38.487 -0.135 0.000 0.984 412 N HN 0.643 nan 8.380 nan 0.000 0.453 413 F N -0.383 119.573 119.950 0.010 0.000 2.776 413 F HA 0.297 4.824 4.527 0.000 0.000 0.300 413 F C 0.969 176.775 175.800 0.009 0.000 1.116 413 F CA -0.687 57.319 58.000 0.011 0.000 1.375 413 F CB -0.617 38.394 39.000 0.018 0.000 1.109 413 F HN -0.229 nan 8.300 nan 0.000 0.585 414 Q N 2.501 122.241 119.800 -0.099 0.000 2.409 414 Q HA 0.399 4.739 4.340 -0.000 0.000 0.240 414 Q C 0.473 176.473 176.000 -0.002 0.000 1.226 414 Q CA -0.018 55.789 55.803 0.005 0.000 0.895 414 Q CB 0.505 29.174 28.738 -0.116 0.000 1.491 414 Q HN 0.380 nan 8.270 nan 0.000 0.509 415 A N 3.651 126.498 122.820 0.045 0.000 2.604 415 A HA 0.326 4.646 4.320 -0.000 0.000 0.248 415 A C 1.470 179.061 177.584 0.012 0.000 1.466 415 A CA 0.584 52.634 52.037 0.022 0.000 1.222 415 A CB -0.686 18.335 19.000 0.034 0.000 0.945 415 A HN 0.833 nan 8.150 nan 0.000 0.600 416 A N 0.174 122.995 122.820 0.003 0.000 1.972 416 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 416 A C 2.406 179.992 177.584 0.003 0.000 1.169 416 A CA 1.798 53.836 52.037 0.002 0.000 0.635 416 A CB -0.605 18.393 19.000 -0.005 0.000 0.810 416 A HN 1.121 nan 8.150 nan 0.000 0.446 417 A N -0.342 122.478 122.820 0.000 0.000 1.877 417 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 417 A C 2.390 179.981 177.584 0.012 0.000 1.186 417 A CA 2.058 54.101 52.037 0.009 0.000 0.620 417 A CB -1.173 17.828 19.000 0.000 0.000 0.822 417 A HN 1.169 nan 8.150 nan 0.000 0.443 418 V N -0.940 118.977 119.914 0.004 0.000 2.548 418 V HA 0.022 4.142 4.120 -0.000 0.000 0.249 418 V C 2.447 178.543 176.094 0.004 0.000 1.055 418 V CA 2.084 64.385 62.300 0.002 0.000 1.065 418 V CB -0.739 31.083 31.823 -0.003 0.000 0.681 418 V HN 0.564 nan 8.190 nan 0.000 0.462 419 A N 0.631 123.454 122.820 0.006 0.000 1.930 419 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 419 A C 2.257 179.841 177.584 0.001 0.000 1.175 419 A CA 1.780 53.819 52.037 0.005 0.000 0.627 419 A CB -0.959 18.046 19.000 0.008 0.000 0.815 419 A HN 0.687 nan 8.150 nan 0.000 0.443 420 N N 0.424 119.126 118.700 0.003 0.000 2.120 420 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 420 N C 1.180 176.691 175.510 0.001 0.000 1.024 420 N CA 1.706 54.755 53.050 -0.001 0.000 0.852 420 N CB -0.441 38.050 38.487 0.007 0.000 1.003 420 N HN 0.573 nan 8.380 nan 0.000 0.424 424 K N 1.276 121.653 120.400 -0.038 0.000 2.002 424 K HA -0.005 4.315 4.320 -0.000 0.000 0.209 424 K C 2.091 178.663 176.600 -0.046 0.000 1.048 424 K CA 2.181 58.438 56.287 -0.051 0.000 0.930 424 K CB -0.197 32.267 32.500 -0.059 0.000 0.714 424 K HN 0.009 nan 8.250 nan 0.000 0.438 425 T N 0.562 115.093 114.554 -0.038 0.000 2.665 425 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 425 T C 1.832 176.514 174.700 -0.031 0.000 1.035 425 T CA 1.550 63.626 62.100 -0.040 0.000 1.151 425 T CB -0.217 68.625 68.868 -0.044 0.000 0.862 425 T HN 0.232 nan 8.240 nan 0.000 0.438 426 R N 0.255 120.740 120.500 -0.025 0.000 2.105 426 R HA -0.060 4.280 4.340 -0.000 0.000 0.239 426 R C 2.307 178.598 176.300 -0.016 0.000 1.135 426 R CA 1.042 57.132 56.100 -0.017 0.000 0.967 426 R CB -0.408 29.881 30.300 -0.018 0.000 0.861 426 R HN 0.275 nan 8.270 nan 0.000 0.442 427 L N -0.160 121.047 121.223 -0.028 0.000 2.109 427 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 427 L C 2.013 178.863 176.870 -0.032 0.000 1.086 427 L CA 2.124 56.945 54.840 -0.032 0.000 0.760 427 L CB -0.872 41.157 42.059 -0.050 0.000 0.910 427 L HN 0.223 nan 8.230 nan 0.000 0.437 428 G N -0.407 108.369 108.800 -0.040 0.000 2.432 428 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 428 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 428 G C 1.589 176.491 174.900 0.004 0.000 1.135 428 G CA 0.975 46.052 45.100 -0.038 0.000 0.767 428 G HN 0.435 nan 8.290 nan 0.000 0.550 429 L N 0.490 121.720 121.223 0.011 0.000 2.093 429 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 429 L C 3.334 180.245 176.870 0.069 0.000 1.085 429 L CA 0.906 55.769 54.840 0.037 0.000 0.755 429 L CB -0.281 41.793 42.059 0.024 0.000 0.904 429 L HN 0.303 nan 8.230 nan 0.000 0.435 430 A N -0.796 122.060 122.820 0.059 0.000 1.929 430 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 430 A C 2.241 179.910 177.584 0.142 0.000 1.176 430 A CA 0.950 53.037 52.037 0.085 0.000 0.628 430 A CB -0.235 18.800 19.000 0.059 0.000 0.816 430 A HN 0.356 nan 8.150 nan 0.000 0.444 431 Q N -0.162 119.714 119.800 0.127 0.000 2.119 431 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 431 Q C 2.069 178.315 176.000 0.410 0.000 0.972 431 Q CA 1.234 57.174 55.803 0.227 0.000 0.847 431 Q CB -0.431 28.277 28.738 -0.050 0.000 0.903 431 Q HN 0.771 nan 8.270 nan 0.000 0.433 432 I N 0.246 120.967 120.570 0.252 0.000 2.252 432 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 432 I C 2.300 178.566 176.117 0.249 0.000 1.102 432 I CA 1.101 62.555 61.300 0.256 0.000 1.385 432 I CB -0.580 37.515 38.000 0.158 0.000 1.064 432 I HN 0.206 nan 8.210 nan 0.000 0.414 433 G N 0.883 109.809 108.800 0.211 0.000 2.418 433 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 433 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 433 G C 1.659 176.703 174.900 0.240 0.000 1.158 433 G CA 0.967 46.190 45.100 0.205 0.000 0.771 433 G HN 0.187 nan 8.290 nan 0.000 0.545 434 K N 0.072 120.625 120.400 0.255 0.000 2.057 434 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 434 K C 2.301 179.015 176.600 0.189 0.000 1.049 434 K CA 0.990 57.433 56.287 0.261 0.000 0.931 434 K CB -0.614 32.080 32.500 0.324 0.000 0.714 434 K HN 0.273 nan 8.250 nan 0.000 0.440 435 L N 0.804 122.119 121.223 0.153 0.000 2.005 435 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 435 L C 1.407 178.297 176.870 0.034 0.000 1.072 435 L CA 1.949 56.753 54.840 -0.059 0.000 0.744 435 L CB -0.726 41.330 42.059 -0.005 0.000 0.895 435 L HN 0.262 nan 8.230 nan 0.000 0.433 436 N N -1.303 117.487 118.700 0.150 0.000 2.142 436 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 436 N C 1.655 177.177 175.510 0.020 0.000 1.023 436 N CA 1.576 54.732 53.050 0.176 0.000 0.852 436 N CB -0.410 38.278 38.487 0.336 0.000 0.998 436 N HN 0.427 nan 8.380 nan 0.000 0.424 437 F N 1.230 121.167 119.950 -0.021 0.000 2.095 437 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 437 F C 2.452 178.185 175.800 -0.112 0.000 1.104 437 F CA 1.350 59.310 58.000 -0.067 0.000 1.232 437 F CB -0.935 38.056 39.000 -0.014 0.000 0.987 437 F HN -0.073 nan 8.300 nan 0.000 0.475 438 T N -0.172 114.239 114.554 -0.238 0.000 2.788 438 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 438 T C 1.873 176.359 174.700 -0.356 0.000 1.044 438 T CA 1.882 63.752 62.100 -0.384 0.000 1.139 438 T CB -0.196 68.584 68.868 -0.147 0.000 0.867 438 T HN 0.529 nan 8.240 nan 0.000 0.454 439 Q N 0.005 119.654 119.800 -0.253 0.000 2.046 439 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 439 Q C 2.336 178.148 176.000 -0.313 0.000 0.975 439 Q CA 1.311 56.996 55.803 -0.197 0.000 0.836 439 Q CB -0.354 28.353 28.738 -0.051 0.000 0.896 439 Q HN 0.384 nan 8.270 nan 0.000 0.428 440 L N 0.505 121.420 121.223 -0.513 0.000 2.012 440 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 440 L C 2.290 178.917 176.870 -0.404 0.000 1.073 440 L CA 2.100 56.618 54.840 -0.537 0.000 0.748 440 L CB -0.917 40.775 42.059 -0.612 0.000 0.891 440 L HN 0.121 nan 8.230 nan 0.000 0.431 441 T N -0.784 113.437 114.554 -0.555 0.000 3.035 441 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 441 T C 0.898 175.415 174.700 -0.305 0.000 1.109 441 T CA 0.280 62.098 62.100 -0.469 0.000 1.119 441 T CB -0.211 68.220 68.868 -0.728 0.000 0.900 441 T HN 0.461 nan 8.240 nan 0.000 0.503 445 N N 1.924 120.573 118.700 -0.086 0.000 2.420 445 N HA 0.317 5.057 4.740 -0.000 0.000 0.249 445 N C 0.884 176.361 175.510 -0.055 0.000 1.033 445 N CA 0.680 53.690 53.050 -0.067 0.000 0.944 445 N CB 2.030 40.469 38.487 -0.080 0.000 1.113 445 N HN 0.221 nan 8.380 nan 0.000 0.502 446 A N 2.839 125.636 122.820 -0.038 0.000 2.225 446 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 446 A C 1.133 178.696 177.584 -0.035 0.000 1.164 446 A CA 0.926 52.942 52.037 -0.034 0.000 0.710 446 A CB -0.463 18.529 19.000 -0.014 0.000 0.780 446 A HN 0.631 nan 8.150 nan 0.000 0.473 450 R N 0.989 121.456 120.500 -0.056 0.000 3.322 450 R HA -0.152 4.188 4.340 -0.000 0.000 0.253 450 R C 0.791 177.061 176.300 -0.051 0.000 0.987 450 R CA 1.277 57.349 56.100 -0.046 0.000 0.666 450 R CB -1.848 28.429 30.300 -0.038 0.000 1.072 450 R HN 1.122 nan 8.270 nan 0.000 0.447 451 G N -0.789 107.973 108.800 -0.064 0.000 2.157 451 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.239 451 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.239 451 G C 0.159 175.004 174.900 -0.091 0.000 0.982 451 G CA 0.140 45.193 45.100 -0.078 0.000 0.650 451 G HN 0.303 nan 8.290 nan 0.000 0.527 452 L N 0.767 121.936 121.223 -0.091 0.000 2.439 452 L HA 0.430 4.769 4.340 -0.000 0.000 0.261 452 L C -1.544 175.274 176.870 -0.087 0.000 1.153 452 L CA -2.111 52.669 54.840 -0.100 0.000 0.808 452 L CB 0.765 42.761 42.059 -0.106 0.000 1.126 452 L HN -0.107 nan 8.230 nan 0.000 0.460 453 P HA -0.017 nan 4.420 nan 0.000 0.268 453 P C 0.386 177.663 177.300 -0.038 0.000 1.208 453 P CA -0.042 63.020 63.100 -0.064 0.000 0.777 453 P CB 0.712 32.378 31.700 -0.057 0.000 0.875 454 S N 1.499 117.185 115.700 -0.023 0.000 2.429 454 S HA -0.296 4.174 4.470 -0.000 0.000 0.263 454 S C 0.947 175.558 174.600 0.018 0.000 1.084 454 S CA 2.041 60.244 58.200 0.004 0.000 1.284 454 S CB -1.602 61.609 63.200 0.019 0.000 1.192 454 S HN 0.564 nan 8.310 nan 0.000 0.436 455 C N 0.999 120.324 119.300 0.042 0.000 2.667 455 C HA 0.660 5.120 4.460 -0.000 0.000 0.261 455 C C 0.197 175.222 174.990 0.059 0.000 1.590 455 C CA -0.619 58.434 59.018 0.059 0.000 1.668 455 C CB -1.106 26.713 27.740 0.132 0.000 2.962 455 C HN 0.670 nan 8.230 nan 0.000 0.525 456 L N 0.393 121.632 121.223 0.026 0.000 4.001 456 L HA -0.231 4.109 4.340 -0.000 0.000 0.413 456 L C 1.078 178.053 176.870 0.175 0.000 1.185 456 L CA 1.133 56.000 54.840 0.044 0.000 0.963 456 L CB -1.854 40.192 42.059 -0.023 0.000 1.976 456 L HN 0.673 nan 8.230 nan 0.000 0.939 457 A N -0.656 122.229 122.820 0.108 0.000 2.404 457 A HA 0.663 4.983 4.320 -0.000 0.000 0.273 457 A C 1.561 179.155 177.584 0.016 0.000 1.144 457 A CA 0.369 52.449 52.037 0.072 0.000 0.806 457 A CB 0.657 19.649 19.000 -0.013 0.000 1.080 457 A HN 0.660 nan 8.150 nan 0.000 0.509 458 A N 2.315 125.141 122.820 0.011 0.000 1.933 458 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 458 A C 1.285 178.827 177.584 -0.070 0.000 1.175 458 A CA 1.301 53.360 52.037 0.037 0.000 0.628 458 A CB -0.170 18.929 19.000 0.165 0.000 0.814 458 A HN 0.781 nan 8.150 nan 0.000 0.444 459 E N -0.074 120.032 120.200 -0.157 0.000 2.754 459 E HA 0.222 4.572 4.350 -0.000 0.000 0.224 459 E C -0.985 175.557 176.600 -0.097 0.000 0.851 459 E CA -0.922 55.366 56.400 -0.186 0.000 1.047 459 E CB -0.329 29.180 29.700 -0.318 0.000 1.584 459 E HN 0.157 nan 8.360 nan 0.000 0.429 460 D N 2.068 122.436 120.400 -0.054 0.000 2.520 460 D HA -0.003 4.637 4.640 -0.000 0.000 0.243 460 D C -1.586 174.657 176.300 -0.095 0.000 1.160 460 D CA -0.882 53.092 54.000 -0.043 0.000 0.877 460 D CB 0.558 41.357 40.800 -0.002 0.000 1.150 460 D HN 0.021 nan 8.370 nan 0.000 0.494 461 P HA -0.130 nan 4.420 nan 0.000 0.218 461 P C 1.276 178.415 177.300 -0.268 0.000 1.146 461 P CA 0.922 63.925 63.100 -0.162 0.000 0.813 461 P CB 0.321 31.974 31.700 -0.079 0.000 0.778 462 S N -0.718 114.882 115.700 -0.166 0.000 2.374 462 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 462 S C 1.221 175.692 174.600 -0.215 0.000 1.037 462 S CA 1.117 59.233 58.200 -0.141 0.000 1.024 462 S CB -0.652 62.510 63.200 -0.064 0.000 0.861 462 S HN 0.195 nan 8.310 nan 0.000 0.456 463 L N 0.604 121.690 121.223 -0.228 0.000 3.209 463 L HA 0.453 4.793 4.340 -0.000 0.000 0.279 463 L C -0.102 176.611 176.870 -0.261 0.000 1.301 463 L CA -0.228 54.494 54.840 -0.197 0.000 1.004 463 L CB 0.670 42.688 42.059 -0.068 0.000 1.402 463 L HN 0.012 nan 8.230 nan 0.000 0.577 464 S N -0.604 114.789 115.700 -0.512 0.000 2.626 464 S HA 0.491 4.961 4.470 -0.000 0.000 0.275 464 S C -0.955 173.334 174.600 -0.518 0.000 1.175 464 S CA -0.268 57.719 58.200 -0.355 0.000 0.982 464 S CB 0.806 63.896 63.200 -0.183 0.000 1.093 464 S HN 0.258 nan 8.310 nan 0.000 0.472 465 Y N 3.848 124.186 120.300 0.064 0.000 2.719 465 Y HA 0.332 4.882 4.550 -0.000 0.000 0.251 465 Y C 1.485 177.464 175.900 0.130 0.000 1.159 465 Y CA -0.197 57.945 58.100 0.070 0.000 1.166 465 Y CB -0.640 37.844 38.460 0.040 0.000 1.219 465 Y HN 0.973 nan 8.280 nan 0.000 0.551 466 H N -0.108 119.031 119.070 0.115 0.000 1.527 466 H HA -0.420 4.136 4.556 -0.000 0.000 0.107 466 H C 0.650 176.063 175.328 0.142 0.000 1.179 466 H CA 2.243 58.362 56.048 0.118 0.000 1.867 466 H CB -0.418 29.399 29.762 0.092 0.000 2.221 466 H HN 0.389 nan 8.280 nan 0.000 0.947 467 C N 1.355 120.697 119.300 0.069 0.000 2.525 467 C HA 0.153 4.613 4.460 -0.000 0.000 0.313 467 C C 2.152 177.159 174.990 0.027 0.000 1.311 467 C CA -0.135 58.866 59.018 -0.027 0.000 1.725 467 C CB -0.826 26.834 27.740 -0.133 0.000 1.926 467 C HN 0.506 nan 8.230 nan 0.000 0.595 468 K N 1.813 122.260 120.400 0.078 0.000 2.057 468 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 468 K C 2.143 178.747 176.600 0.008 0.000 1.050 468 K CA 1.758 58.072 56.287 0.045 0.000 0.935 468 K CB -0.326 32.213 32.500 0.065 0.000 0.715 468 K HN 0.512 nan 8.250 nan 0.000 0.439 469 G N 1.081 109.891 108.800 0.017 0.000 2.408 469 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 469 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 469 G C 1.450 176.331 174.900 -0.032 0.000 1.150 469 G CA 0.477 45.569 45.100 -0.013 0.000 0.776 469 G HN 0.198 nan 8.290 nan 0.000 0.542 470 L N 0.358 121.572 121.223 -0.016 0.000 2.141 470 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 470 L C 2.556 179.411 176.870 -0.026 0.000 1.094 470 L CA 1.146 55.973 54.840 -0.021 0.000 0.763 470 L CB -0.273 41.795 42.059 0.015 0.000 0.908 470 L HN 0.200 nan 8.230 nan 0.000 0.437 471 D N 0.900 121.290 120.400 -0.017 0.000 2.097 471 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 471 D C 2.208 178.518 176.300 0.018 0.000 0.989 471 D CA 1.466 55.465 54.000 -0.001 0.000 0.827 471 D CB 0.082 40.872 40.800 -0.016 0.000 0.966 471 D HN 0.310 nan 8.370 nan 0.000 0.456 472 I N 1.069 121.621 120.570 -0.030 0.000 2.286 472 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 472 I C 2.648 178.668 176.117 -0.161 0.000 1.115 472 I CA 1.098 62.361 61.300 -0.063 0.000 1.392 472 I CB -0.256 37.702 38.000 -0.070 0.000 1.065 472 I HN -0.015 nan 8.210 nan 0.000 0.418 473 A N 0.651 123.332 122.820 -0.231 0.000 1.969 473 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 473 A C 2.539 179.634 177.584 -0.814 0.000 1.169 473 A CA 1.564 53.282 52.037 -0.530 0.000 0.635 473 A CB -0.653 18.082 19.000 -0.441 0.000 0.810 473 A HN 0.421 nan 8.150 nan 0.000 0.445 474 A N 0.192 122.824 122.820 -0.313 0.000 1.858 474 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 474 A C 2.540 180.043 177.584 -0.134 0.000 1.190 474 A CA 2.190 54.196 52.037 -0.051 0.000 0.617 474 A CB -1.184 17.982 19.000 0.277 0.000 0.827 474 A HN 1.094 nan 8.150 nan 0.000 0.443 475 A N -0.186 122.548 122.820 -0.144 0.000 1.908 475 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 475 A C 2.511 179.888 177.584 -0.345 0.000 1.181 475 A CA 2.386 54.149 52.037 -0.457 0.000 0.627 475 A CB -1.078 17.799 19.000 -0.204 0.000 0.818 475 A HN 1.137 nan 8.150 nan 0.000 0.445 476 A N -1.031 121.606 122.820 -0.306 0.000 1.883 476 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 476 A C 2.128 179.656 177.584 -0.093 0.000 1.186 476 A CA 1.547 53.445 52.037 -0.232 0.000 0.624 476 A CB -0.941 17.885 19.000 -0.291 0.000 0.822 476 A HN 0.700 nan 8.150 nan 0.000 0.444 477 Y N 0.306 120.568 120.300 -0.063 0.000 2.242 477 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 477 Y C 2.973 178.841 175.900 -0.055 0.000 1.137 477 Y CA 1.003 59.082 58.100 -0.036 0.000 1.181 477 Y CB -0.682 37.780 38.460 0.004 0.000 0.989 477 Y HN 0.298 nan 8.280 nan 0.000 0.527 478 T N -0.816 113.740 114.554 0.004 0.000 2.746 478 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 478 T C 2.055 176.708 174.700 -0.077 0.000 1.039 478 T CA 1.484 63.532 62.100 -0.086 0.000 1.142 478 T CB -0.427 68.218 68.868 -0.371 0.000 0.866 478 T HN 0.245 nan 8.240 nan 0.000 0.444 479 S N 0.935 116.564 115.700 -0.118 0.000 2.359 479 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 479 S C 2.091 176.695 174.600 0.006 0.000 1.035 479 S CA 1.233 59.392 58.200 -0.069 0.000 1.018 479 S CB -0.312 62.834 63.200 -0.090 0.000 0.876 479 S HN 0.591 nan 8.310 nan 0.000 0.448 480 E N 0.642 120.859 120.200 0.029 0.000 2.110 480 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 480 E C 1.960 178.615 176.600 0.092 0.000 0.988 480 E CA 0.711 57.152 56.400 0.068 0.000 0.804 480 E CB -0.110 29.637 29.700 0.078 0.000 0.745 480 E HN 0.417 nan 8.360 nan 0.000 0.458 481 L N -0.179 121.088 121.223 0.074 0.000 2.141 481 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 481 L C 2.496 179.402 176.870 0.061 0.000 1.094 481 L CA 1.070 55.950 54.840 0.067 0.000 0.763 481 L CB -0.440 41.662 42.059 0.071 0.000 0.908 481 L HN 0.275 nan 8.230 nan 0.000 0.437 482 G N -1.518 107.319 108.800 0.062 0.000 2.418 482 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 482 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 482 G C 1.542 176.487 174.900 0.074 0.000 1.158 482 G CA 0.668 45.804 45.100 0.060 0.000 0.771 482 G HN 0.441 nan 8.290 nan 0.000 0.545 483 H N 0.396 119.469 119.070 0.005 0.000 2.428 483 H HA 0.134 4.690 4.556 -0.000 0.000 0.296 483 H C 2.535 177.868 175.328 0.008 0.000 1.062 483 H CA 0.815 56.866 56.048 0.005 0.000 1.350 483 H CB -0.006 29.755 29.762 -0.001 0.000 1.403 483 H HN 0.286 nan 8.280 nan 0.000 0.533 484 L N 0.524 121.741 121.223 -0.010 0.000 2.131 484 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 484 L C 2.993 179.813 176.870 -0.085 0.000 1.092 484 L CA 0.894 55.697 54.840 -0.062 0.000 0.759 484 L CB -0.426 41.644 42.059 0.017 0.000 0.903 484 L HN 0.279 nan 8.230 nan 0.000 0.435 485 A N -0.505 122.284 122.820 -0.051 0.000 2.125 485 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 485 A C 1.000 178.552 177.584 -0.055 0.000 1.156 485 A CA 0.675 52.688 52.037 -0.039 0.000 0.671 485 A CB -0.697 18.294 19.000 -0.015 0.000 0.794 485 A HN 0.420 nan 8.150 nan 0.000 0.459 486 N N 1.014 119.660 118.700 -0.090 0.000 2.374 486 N HA 0.131 4.871 4.740 -0.000 0.000 0.241 486 N C -2.508 172.981 175.510 -0.035 0.000 1.262 486 N CA -0.659 52.352 53.050 -0.064 0.000 0.880 486 N CB 0.010 38.443 38.487 -0.090 0.000 1.105 486 N HN 0.293 nan 8.380 nan 0.000 0.438 487 P HA 0.058 nan 4.420 nan 0.000 0.272 487 P C 0.343 177.683 177.300 0.066 0.000 1.223 487 P CA -0.215 62.885 63.100 0.001 0.000 0.784 487 P CB 1.063 32.746 31.700 -0.027 0.000 0.923 488 V N 1.504 121.457 119.914 0.063 0.000 3.085 488 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 488 V C 2.406 178.572 176.094 0.121 0.000 1.114 488 V CA 1.955 64.335 62.300 0.133 0.000 1.108 488 V CB -1.207 30.650 31.823 0.057 0.000 0.798 488 V HN 0.675 nan 8.190 nan 0.000 0.471 489 T N -1.190 113.385 114.554 0.035 0.000 3.139 489 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 489 T C 1.435 176.107 174.700 -0.047 0.000 1.164 489 T CA 1.438 63.540 62.100 0.003 0.000 1.075 489 T CB -0.656 68.208 68.868 -0.007 0.000 0.904 489 T HN 0.599 nan 8.240 nan 0.000 0.540 490 T N -1.662 112.809 114.554 -0.138 0.000 3.086 490 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 490 T C 0.839 175.319 174.700 -0.366 0.000 1.074 490 T CA -0.191 61.755 62.100 -0.257 0.000 0.988 490 T CB -0.301 68.365 68.868 -0.338 0.000 0.988 490 T HN 0.515 nan 8.240 nan 0.000 0.530 491 H N 1.058 120.123 119.070 -0.008 0.000 2.503 491 H HA 0.398 4.954 4.556 -0.000 0.000 0.296 491 H C -0.059 175.269 175.328 0.000 0.000 1.097 491 H CA -0.445 55.600 56.048 -0.004 0.000 1.055 491 H CB 0.090 29.848 29.762 -0.007 0.000 1.580 491 H HN 0.242 nan 8.280 nan 0.000 0.546 492 V N 3.039 122.988 119.914 0.057 0.000 2.521 492 V HA -0.028 4.092 4.120 -0.000 0.000 0.286 492 V C 0.562 176.681 176.094 0.042 0.000 1.034 492 V CA -0.006 62.321 62.300 0.045 0.000 1.045 492 V CB 0.985 32.821 31.823 0.023 0.000 0.974 492 V HN 0.320 nan 8.190 nan 0.000 0.480 493 Q N 6.596 126.421 119.800 0.043 0.000 2.215 493 Q HA 0.406 4.746 4.340 -0.000 0.000 0.256 493 Q C -2.362 173.655 176.000 0.028 0.000 0.972 493 Q CA -2.382 53.442 55.803 0.035 0.000 0.889 493 Q CB 1.233 29.992 28.738 0.034 0.000 1.281 493 Q HN 0.460 nan 8.270 nan 0.000 0.456 494 P HA 0.176 nan 4.420 nan 0.000 0.268 494 P C -0.938 176.374 177.300 0.020 0.000 1.541 494 P CA 0.043 63.155 63.100 0.021 0.000 1.093 494 P CB -0.071 31.639 31.700 0.016 0.000 1.551 495 A N 2.927 125.761 122.820 0.023 0.000 2.371 495 A HA 0.314 4.634 4.320 -0.000 0.000 0.257 495 A C 0.616 178.209 177.584 0.015 0.000 1.089 495 A CA -0.225 51.824 52.037 0.020 0.000 0.794 495 A CB -0.117 18.898 19.000 0.024 0.000 1.029 495 A HN 0.663 nan 8.150 nan 0.000 0.488 499 N N 0.638 119.344 118.700 0.011 0.000 2.354 499 N HA -0.006 4.734 4.740 -0.000 0.000 0.179 499 N C 0.868 176.395 175.510 0.029 0.000 1.021 499 N CA 1.040 54.099 53.050 0.015 0.000 0.887 499 N CB -0.012 38.476 38.487 0.003 0.000 0.974 499 N HN 0.632 nan 8.380 nan 0.000 0.437 500 Q N -0.279 119.538 119.800 0.028 0.000 2.715 500 Q HA 0.421 4.761 4.340 -0.000 0.000 0.399 500 Q C 0.495 176.520 176.000 0.042 0.000 1.017 500 Q CA -0.426 55.403 55.803 0.044 0.000 1.077 500 Q CB 0.901 29.659 28.738 0.034 0.000 1.350 500 Q HN 0.260 nan 8.270 nan 0.000 0.421 501 A N 0.476 123.319 122.820 0.038 0.000 1.940 501 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 501 A C 1.109 178.713 177.584 0.033 0.000 1.176 501 A CA 1.265 53.320 52.037 0.030 0.000 0.631 501 A CB -0.047 18.968 19.000 0.025 0.000 0.814 501 A HN 0.353 nan 8.150 nan 0.000 0.446 502 V N -0.761 119.179 119.914 0.043 0.000 2.409 502 V HA 0.667 4.787 4.120 -0.000 0.000 0.291 502 V C -1.190 174.940 176.094 0.061 0.000 1.020 502 V CA -0.711 61.614 62.300 0.042 0.000 0.848 502 V CB 0.901 32.745 31.823 0.034 0.000 0.990 502 V HN 0.582 nan 8.190 nan 0.000 0.430 503 N N 1.909 120.641 118.700 0.053 0.000 2.260 503 N HA 0.429 5.169 4.740 -0.000 0.000 0.293 503 N C 0.683 176.223 175.510 0.050 0.000 1.058 503 N CA -0.189 52.900 53.050 0.065 0.000 0.824 503 N CB 2.116 40.638 38.487 0.060 0.000 1.551 503 N HN 0.597 nan 8.380 nan 0.000 0.475 504 S N 2.591 118.324 115.700 0.055 0.000 2.399 504 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 504 S C 1.016 175.635 174.600 0.032 0.000 1.022 504 S CA 0.818 59.041 58.200 0.038 0.000 0.983 504 S CB -0.811 62.412 63.200 0.039 0.000 0.803 504 S HN 0.690 nan 8.310 nan 0.000 0.480 505 L N -0.602 120.643 121.223 0.036 0.000 4.232 505 L HA -0.294 4.046 4.340 -0.000 0.000 0.415 505 L C 1.796 178.679 176.870 0.022 0.000 1.168 505 L CA 0.129 54.987 54.840 0.030 0.000 0.966 505 L CB -2.397 39.682 42.059 0.035 0.000 2.052 505 L HN 0.499 nan 8.230 nan 0.000 0.887 506 A N -0.003 122.829 122.820 0.021 0.000 1.908 506 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 506 A C 1.919 179.507 177.584 0.008 0.000 1.181 506 A CA 2.151 54.197 52.037 0.014 0.000 0.627 506 A CB -0.190 18.820 19.000 0.016 0.000 0.818 506 A HN 0.436 nan 8.150 nan 0.000 0.445 507 L N -0.085 121.142 121.223 0.008 0.000 2.017 507 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 507 L C 2.266 179.134 176.870 -0.004 0.000 1.073 507 L CA 1.720 56.560 54.840 -0.001 0.000 0.745 507 L CB -0.415 41.642 42.059 -0.003 0.000 0.894 507 L HN 0.447 nan 8.230 nan 0.000 0.432 508 I N -1.427 119.143 120.570 -0.000 0.000 2.264 508 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 508 I C 2.635 178.750 176.117 -0.003 0.000 1.111 508 I CA 1.507 62.805 61.300 -0.003 0.000 1.382 508 I CB -0.471 37.530 38.000 0.001 0.000 1.060 508 I HN 0.302 nan 8.210 nan 0.000 0.418 509 S N 0.345 116.046 115.700 0.002 0.000 2.383 509 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 509 S C 2.201 176.798 174.600 -0.005 0.000 1.026 509 S CA 1.305 59.505 58.200 -0.001 0.000 0.981 509 S CB -0.162 63.039 63.200 0.002 0.000 0.818 509 S HN 0.483 nan 8.310 nan 0.000 0.472 510 A N 1.441 124.258 122.820 -0.006 0.000 1.933 510 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 510 A C 2.202 179.780 177.584 -0.010 0.000 1.175 510 A CA 1.346 53.378 52.037 -0.008 0.000 0.628 510 A CB -0.508 18.486 19.000 -0.009 0.000 0.814 510 A HN 0.577 nan 8.150 nan 0.000 0.444 511 R N -1.101 119.393 120.500 -0.011 0.000 2.092 511 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 511 R C 2.308 178.603 176.300 -0.008 0.000 1.119 511 R CA 1.023 57.116 56.100 -0.012 0.000 0.970 511 R CB -0.189 30.102 30.300 -0.016 0.000 0.864 511 R HN 0.287 nan 8.270 nan 0.000 0.440 512 R N -0.164 120.331 120.500 -0.008 0.000 2.092 512 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 512 R C 2.002 178.300 176.300 -0.004 0.000 1.119 512 R CA 1.380 57.476 56.100 -0.007 0.000 0.970 512 R CB -0.680 29.613 30.300 -0.013 0.000 0.864 512 R HN 0.212 nan 8.270 nan 0.000 0.440 513 T N 0.408 114.958 114.554 -0.006 0.000 2.904 513 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 513 T C 1.676 176.375 174.700 -0.002 0.000 1.059 513 T CA 1.479 63.575 62.100 -0.006 0.000 1.137 513 T CB -0.077 68.785 68.868 -0.011 0.000 0.879 513 T HN 0.264 nan 8.240 nan 0.000 0.467 514 T N 1.563 116.115 114.554 -0.002 0.000 2.867 514 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 514 T C 1.865 176.569 174.700 0.007 0.000 1.057 514 T CA 0.965 63.066 62.100 0.001 0.000 1.136 514 T CB -0.111 68.754 68.868 -0.004 0.000 0.874 514 T HN 0.485 nan 8.240 nan 0.000 0.466 515 E N 0.562 120.766 120.200 0.007 0.000 2.106 515 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 515 E C 2.251 178.862 176.600 0.017 0.000 0.984 515 E CA 0.813 57.220 56.400 0.012 0.000 0.806 515 E CB 0.058 29.765 29.700 0.013 0.000 0.750 515 E HN 0.337 nan 8.360 nan 0.000 0.458 516 S N 0.961 116.670 115.700 0.016 0.000 2.383 516 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 516 S C 1.593 176.206 174.600 0.023 0.000 1.026 516 S CA 0.666 58.878 58.200 0.021 0.000 0.981 516 S CB -0.202 63.008 63.200 0.017 0.000 0.818 516 S HN 0.303 nan 8.310 nan 0.000 0.472 517 N N 1.475 120.186 118.700 0.018 0.000 2.223 517 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 517 N C 1.401 176.929 175.510 0.031 0.000 1.016 517 N CA 1.126 54.188 53.050 0.020 0.000 0.863 517 N CB -0.463 38.033 38.487 0.014 0.000 0.983 517 N HN 0.421 nan 8.380 nan 0.000 0.429 518 D N 0.114 120.535 120.400 0.036 0.000 2.097 518 D HA -0.046 4.594 4.640 -0.000 0.000 0.197 518 D C 1.903 178.236 176.300 0.056 0.000 0.984 518 D CA 0.596 54.640 54.000 0.073 0.000 0.826 518 D CB 0.145 40.984 40.800 0.065 0.000 0.973 518 D HN -0.095 nan 8.370 nan 0.000 0.460 519 V N 0.908 120.822 119.914 -0.001 0.000 2.427 519 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 519 V C 2.441 178.495 176.094 -0.066 0.000 1.051 519 V CA 0.998 63.254 62.300 -0.073 0.000 1.048 519 V CB -0.410 31.404 31.823 -0.016 0.000 0.666 519 V HN 0.400 nan 8.190 nan 0.000 0.456 520 L N -0.378 120.855 121.223 0.016 0.000 2.156 520 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 520 L C 2.443 179.350 176.870 0.063 0.000 1.095 520 L CA 1.581 56.455 54.840 0.056 0.000 0.770 520 L CB -0.325 41.775 42.059 0.068 0.000 0.914 520 L HN 0.389 nan 8.230 nan 0.000 0.439 521 S N 0.294 116.033 115.700 0.065 0.000 2.382 521 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 521 S C 1.921 176.620 174.600 0.165 0.000 1.027 521 S CA 1.113 59.378 58.200 0.108 0.000 0.991 521 S CB -0.170 63.086 63.200 0.094 0.000 0.823 521 S HN 0.371 nan 8.310 nan 0.000 0.469 522 L N 0.676 121.922 121.223 0.038 0.000 1.994 522 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 522 L C 2.423 179.245 176.870 -0.080 0.000 1.071 522 L CA 0.973 55.680 54.840 -0.223 0.000 0.745 522 L CB -0.601 40.905 42.059 -0.921 0.000 0.892 522 L HN 0.300 nan 8.230 nan 0.000 0.431 523 L N 0.029 121.252 121.223 -0.001 0.000 1.989 523 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 523 L C 2.278 179.316 176.870 0.280 0.000 1.071 523 L CA 1.862 56.898 54.840 0.328 0.000 0.749 523 L CB -0.558 41.693 42.059 0.320 0.000 0.890 523 L HN 0.117 nan 8.230 nan 0.000 0.431 524 L N -0.620 120.731 121.223 0.213 0.000 2.275 524 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 524 L C 2.571 179.556 176.870 0.192 0.000 1.119 524 L CA 0.809 55.772 54.840 0.204 0.000 0.790 524 L CB -0.912 41.229 42.059 0.136 0.000 0.919 524 L HN 0.418 nan 8.230 nan 0.000 0.443 525 A N -0.284 122.652 122.820 0.194 0.000 1.968 525 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 525 A C 2.357 180.076 177.584 0.225 0.000 1.169 525 A CA 1.877 54.035 52.037 0.201 0.000 0.638 525 A CB -0.575 18.560 19.000 0.226 0.000 0.812 525 A HN 0.325 nan 8.150 nan 0.000 0.446 526 T N -1.478 113.222 114.554 0.244 0.000 2.701 526 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 526 T C 1.831 176.716 174.700 0.307 0.000 1.040 526 T CA 1.476 63.730 62.100 0.256 0.000 1.147 526 T CB -0.517 68.516 68.868 0.276 0.000 0.865 526 T HN 0.758 nan 8.240 nan 0.000 0.426 527 H N 0.326 119.496 119.070 0.166 0.000 2.319 527 H HA -0.114 4.442 4.556 -0.000 0.000 0.297 527 H C 2.340 177.732 175.328 0.106 0.000 1.097 527 H CA 1.235 57.353 56.048 0.117 0.000 1.285 527 H CB -0.161 29.663 29.762 0.104 0.000 1.368 527 H HN 0.128 nan 8.280 nan 0.000 0.495 528 L N 0.461 121.799 121.223 0.191 0.000 2.012 528 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 528 L C 2.295 179.247 176.870 0.137 0.000 1.073 528 L CA 1.954 56.847 54.840 0.089 0.000 0.748 528 L CB -1.222 40.892 42.059 0.091 0.000 0.891 528 L HN 0.397 nan 8.230 nan 0.000 0.431 529 Y N -0.482 119.867 120.300 0.081 0.000 2.128 529 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 529 Y C 2.594 178.518 175.900 0.039 0.000 1.154 529 Y CA 2.194 60.329 58.100 0.059 0.000 1.149 529 Y CB -0.742 37.758 38.460 0.066 0.000 0.976 529 Y HN 0.327 nan 8.280 nan 0.000 0.505 530 C N -1.311 118.057 119.300 0.112 0.000 2.446 530 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 530 C C 2.864 177.820 174.990 -0.056 0.000 1.275 530 C CA 0.929 59.929 59.018 -0.030 0.000 1.727 530 C CB -1.259 26.520 27.740 0.065 0.000 2.010 530 C HN 0.563 nan 8.230 nan 0.000 0.486 531 V N 0.643 120.582 119.914 0.040 0.000 2.490 531 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 531 V C 2.265 178.333 176.094 -0.044 0.000 1.061 531 V CA 1.778 64.084 62.300 0.010 0.000 1.064 531 V CB -0.422 31.424 31.823 0.038 0.000 0.670 531 V HN 0.469 nan 8.190 nan 0.000 0.461 532 L N -0.109 121.080 121.223 -0.055 0.000 2.056 532 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 532 L C 2.489 179.321 176.870 -0.063 0.000 1.078 532 L CA 2.363 57.177 54.840 -0.043 0.000 0.749 532 L CB -1.014 40.969 42.059 -0.126 0.000 0.901 532 L HN 0.490 nan 8.230 nan 0.000 0.433 533 Q N -0.666 119.034 119.800 -0.167 0.000 2.167 533 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 533 Q C 2.114 178.061 176.000 -0.089 0.000 0.970 533 Q CA 1.787 57.520 55.803 -0.117 0.000 0.855 533 Q CB -0.190 28.444 28.738 -0.173 0.000 0.911 533 Q HN 0.444 nan 8.270 nan 0.000 0.438 534 A N 0.886 123.638 122.820 -0.113 0.000 1.897 534 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 534 A C 2.067 179.530 177.584 -0.202 0.000 1.181 534 A CA 1.388 53.340 52.037 -0.142 0.000 0.620 534 A CB -0.960 17.959 19.000 -0.134 0.000 0.821 534 A HN 0.645 nan 8.150 nan 0.000 0.443 535 I N -2.854 117.602 120.570 -0.189 0.000 2.394 535 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 535 I C 1.458 177.491 176.117 -0.139 0.000 1.136 535 I CA 1.903 63.022 61.300 -0.302 0.000 1.425 535 I CB -0.585 37.279 38.000 -0.227 0.000 1.079 535 I HN 0.016 nan 8.210 nan 0.000 0.425 536 D N 1.502 121.881 120.400 -0.035 0.000 2.117 536 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 536 D C 2.153 178.272 176.300 -0.302 0.000 0.982 536 D CA 1.182 55.143 54.000 -0.065 0.000 0.828 536 D CB -0.094 40.708 40.800 0.003 0.000 0.967 536 D HN 0.248 nan 8.370 nan 0.000 0.464 537 L N 0.491 121.557 121.223 -0.263 0.000 2.046 537 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 537 L C 2.356 179.073 176.870 -0.255 0.000 1.077 537 L CA 1.329 56.006 54.840 -0.270 0.000 0.747 537 L CB -0.631 41.321 42.059 -0.179 0.000 0.896 537 L HN -0.070 nan 8.230 nan 0.000 0.432 538 R N -0.753 119.578 120.500 -0.282 0.000 2.148 538 R HA -0.087 4.253 4.340 -0.000 0.000 0.227 538 R C 2.193 178.289 176.300 -0.338 0.000 1.103 538 R CA 1.135 57.017 56.100 -0.363 0.000 0.983 538 R CB -0.171 29.791 30.300 -0.565 0.000 0.874 538 R HN 0.342 nan 8.270 nan 0.000 0.451 539 A N 0.855 123.595 122.820 -0.133 0.000 1.877 539 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 539 A C 2.128 179.730 177.584 0.031 0.000 1.186 539 A CA 1.513 53.577 52.037 0.045 0.000 0.620 539 A CB -0.551 18.576 19.000 0.211 0.000 0.822 539 A HN 0.359 nan 8.150 nan 0.000 0.443 540 I N -0.479 120.019 120.570 -0.120 0.000 2.264 540 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 540 I C 2.585 178.734 176.117 0.054 0.000 1.111 540 I CA 1.840 63.090 61.300 -0.084 0.000 1.382 540 I CB -0.289 37.542 38.000 -0.282 0.000 1.060 540 I HN 0.574 nan 8.210 nan 0.000 0.418 541 E N 1.188 121.394 120.200 0.010 0.000 2.077 541 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 541 E C 2.315 179.128 176.600 0.355 0.000 0.989 541 E CA 1.329 57.804 56.400 0.126 0.000 0.800 541 E CB -0.153 29.578 29.700 0.053 0.000 0.746 541 E HN 0.496 nan 8.360 nan 0.000 0.452 542 F N 0.979 120.936 119.950 0.012 0.000 2.146 542 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 542 F C 2.614 178.475 175.800 0.101 0.000 1.096 542 F CA 0.336 58.310 58.000 -0.043 0.000 1.275 542 F CB 0.075 38.802 39.000 -0.455 0.000 1.008 542 F HN 0.049 nan 8.300 nan 0.000 0.480 543 E N 0.326 120.746 120.200 0.367 0.000 2.058 543 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 543 E C 1.902 178.649 176.600 0.245 0.000 0.997 543 E CA 1.259 57.833 56.400 0.291 0.000 0.801 543 E CB -0.871 28.983 29.700 0.256 0.000 0.746 543 E HN 0.421 nan 8.360 nan 0.000 0.450 544 F N 2.045 122.072 119.950 0.128 0.000 2.171 544 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 544 F C 2.131 178.009 175.800 0.130 0.000 1.090 544 F CA 1.321 59.381 58.000 0.100 0.000 1.293 544 F CB 0.126 39.162 39.000 0.060 0.000 1.013 544 F HN -0.162 nan 8.300 nan 0.000 0.486 545 K N 0.886 121.466 120.400 0.300 0.000 2.211 545 K HA -0.194 4.126 4.320 -0.000 0.000 0.203 545 K C 2.151 178.784 176.600 0.055 0.000 1.050 545 K CA 1.017 57.419 56.287 0.192 0.000 0.945 545 K CB -0.321 32.287 32.500 0.181 0.000 0.732 545 K HN 0.336 nan 8.250 nan 0.000 0.451 546 K N 0.691 121.120 120.400 0.047 0.000 2.097 546 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 546 K C 1.867 178.452 176.600 -0.026 0.000 1.050 546 K CA 1.228 57.525 56.287 0.016 0.000 0.938 546 K CB 0.197 32.731 32.500 0.057 0.000 0.718 546 K HN 0.184 nan 8.250 nan 0.000 0.442 547 Q N -1.208 118.551 119.800 -0.068 0.000 2.339 547 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 547 Q C 1.701 177.610 176.000 -0.152 0.000 0.925 547 Q CA 0.437 56.176 55.803 -0.107 0.000 0.898 547 Q CB 0.125 28.796 28.738 -0.112 0.000 1.013 547 Q HN 0.202 nan 8.270 nan 0.000 0.504 548 F N 1.191 120.880 119.950 -0.436 0.000 2.149 548 F HA 0.032 4.559 4.527 -0.000 0.000 0.294 548 F C 2.166 177.855 175.800 -0.186 0.000 1.095 548 F CA 1.474 59.217 58.000 -0.428 0.000 1.276 548 F CB -0.724 37.871 39.000 -0.676 0.000 1.023 548 F HN 0.053 nan 8.300 nan 0.000 0.480 549 G N 0.790 109.560 108.800 -0.051 0.000 2.663 549 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 549 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 549 G C -0.714 174.097 174.900 -0.148 0.000 1.146 549 G CA 1.383 46.443 45.100 -0.067 0.000 0.764 549 G HN 0.306 nan 8.290 nan 0.000 0.608 550 P HA 0.101 nan 4.420 nan 0.000 0.214 550 P C 2.351 179.528 177.300 -0.205 0.000 1.162 550 P CA 1.803 64.819 63.100 -0.140 0.000 0.871 550 P CB -0.276 31.360 31.700 -0.106 0.000 0.783 551 A N -0.294 122.353 122.820 -0.289 0.000 1.940 551 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 551 A C 2.188 179.524 177.584 -0.414 0.000 1.190 551 A CA 1.860 53.684 52.037 -0.354 0.000 0.647 551 A CB -1.841 16.894 19.000 -0.442 0.000 0.821 551 A HN 0.099 nan 8.150 nan 0.000 0.457 552 I N -0.787 119.446 120.570 -0.562 0.000 2.076 552 I HA -0.272 3.898 4.170 -0.000 0.000 0.237 552 I C 2.406 178.447 176.117 -0.127 0.000 1.059 552 I CA 1.694 62.779 61.300 -0.359 0.000 1.317 552 I CB -0.641 37.211 38.000 -0.248 0.000 1.037 552 I HN 0.191 nan 8.210 nan 0.000 0.398 553 V N 0.383 120.234 119.914 -0.106 0.000 2.278 553 V HA -0.373 3.747 4.120 -0.000 0.000 0.251 553 V C 2.648 178.707 176.094 -0.059 0.000 1.062 553 V CA 2.365 64.632 62.300 -0.055 0.000 1.038 553 V CB -0.863 30.928 31.823 -0.054 0.000 0.646 553 V HN 0.572 nan 8.190 nan 0.000 0.447 554 S N -0.305 115.343 115.700 -0.087 0.000 2.359 554 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 554 S C 2.018 176.592 174.600 -0.044 0.000 1.038 554 S CA 1.903 60.060 58.200 -0.071 0.000 1.051 554 S CB -0.364 62.781 63.200 -0.091 0.000 0.944 554 S HN 0.357 nan 8.310 nan 0.000 0.433 555 L N 1.339 122.537 121.223 -0.042 0.000 2.042 555 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 555 L C 2.491 179.401 176.870 0.066 0.000 1.076 555 L CA 1.750 56.624 54.840 0.056 0.000 0.749 555 L CB -1.487 40.550 42.059 -0.037 0.000 0.893 555 L HN 0.472 nan 8.230 nan 0.000 0.432 556 I N -0.288 120.286 120.570 0.007 0.000 2.208 556 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 556 I C 2.104 178.107 176.117 -0.190 0.000 1.097 556 I CA 1.277 62.433 61.300 -0.239 0.000 1.363 556 I CB -0.321 37.616 38.000 -0.106 0.000 1.051 556 I HN 0.254 nan 8.210 nan 0.000 0.413 557 D N 0.148 120.503 120.400 -0.075 0.000 2.183 557 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 557 D C 2.113 178.390 176.300 -0.039 0.000 0.969 557 D CA 1.109 55.085 54.000 -0.040 0.000 0.842 557 D CB -0.051 40.732 40.800 -0.029 0.000 0.957 557 D HN 0.473 nan 8.370 nan 0.000 0.484 558 Q N 0.061 119.835 119.800 -0.044 0.000 2.020 558 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 558 Q C 1.915 177.855 176.000 -0.100 0.000 0.974 558 Q CA 1.490 57.256 55.803 -0.061 0.000 0.829 558 Q CB -0.512 28.195 28.738 -0.051 0.000 0.894 558 Q HN 0.355 nan 8.270 nan 0.000 0.433 559 H N -0.962 118.006 119.070 -0.170 0.000 2.363 559 H HA 0.083 4.639 4.556 -0.000 0.000 0.301 559 H C 0.635 175.992 175.328 0.048 0.000 1.074 559 H CA 1.276 57.228 56.048 -0.160 0.000 1.354 559 H CB 0.129 29.672 29.762 -0.364 0.000 1.397 559 H HN 0.264 nan 8.280 nan 0.000 0.516 560 F N -1.496 118.460 119.950 0.009 0.000 2.750 560 F HA 0.382 4.909 4.527 -0.000 0.000 0.295 560 F C 2.042 177.812 175.800 -0.050 0.000 1.251 560 F CA -0.343 57.619 58.000 -0.064 0.000 1.043 560 F CB 0.254 39.156 39.000 -0.164 0.000 1.928 560 F HN 0.200 nan 8.300 nan 0.000 0.526 561 G N 0.489 109.392 108.800 0.172 0.000 3.548 561 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.224 561 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.224 561 G C 1.092 176.019 174.900 0.045 0.000 1.351 561 G CA 0.638 45.779 45.100 0.068 0.000 0.905 561 G HN 0.773 nan 8.290 nan 0.000 0.561 562 S N 1.136 116.865 115.700 0.049 0.000 2.595 562 S HA 0.612 5.082 4.470 -0.000 0.000 0.235 562 S C 1.006 175.621 174.600 0.024 0.000 0.974 562 S CA 1.520 59.736 58.200 0.028 0.000 0.942 562 S CB -0.013 63.201 63.200 0.024 0.000 0.766 562 S HN 1.975 nan 8.310 nan 0.000 0.536 566 G N 2.620 111.416 108.800 -0.007 0.000 2.198 566 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.260 566 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.260 566 G C 0.251 175.146 174.900 -0.009 0.000 1.025 566 G CA 1.113 46.209 45.100 -0.008 0.000 0.769 566 G HN 1.937 nan 8.290 nan 0.000 0.507 567 S N -1.829 113.865 115.700 -0.010 0.000 2.851 567 S HA 0.736 5.206 4.470 -0.000 0.000 0.317 567 S C -0.085 174.509 174.600 -0.010 0.000 1.144 567 S CA -0.108 58.085 58.200 -0.012 0.000 0.862 567 S CB 2.001 65.192 63.200 -0.016 0.000 1.259 567 S HN 0.549 nan 8.310 nan 0.000 0.564 568 N N 0.113 118.807 118.700 -0.011 0.000 2.553 568 N HA 0.348 5.088 4.740 -0.000 0.000 0.298 568 N C -1.188 174.316 175.510 -0.009 0.000 1.596 568 N CA -0.462 52.583 53.050 -0.008 0.000 0.910 568 N CB -0.417 38.065 38.487 -0.008 0.000 1.336 568 N HN 0.657 nan 8.380 nan 0.000 0.497 569 L N -1.861 119.355 121.223 -0.011 0.000 2.489 569 L HA 0.714 5.054 4.340 -0.000 0.000 0.257 569 L C 0.359 177.225 176.870 -0.007 0.000 1.215 569 L CA -0.325 54.508 54.840 -0.012 0.000 0.915 569 L CB 1.388 43.434 42.059 -0.021 0.000 1.146 569 L HN -0.138 nan 8.230 nan 0.000 0.494 570 R N 0.862 121.361 120.500 -0.002 0.000 2.729 570 R HA 0.071 4.411 4.340 -0.000 0.000 0.215 570 R C 0.721 177.023 176.300 0.004 0.000 0.970 570 R CA 1.245 57.348 56.100 0.004 0.000 1.196 570 R CB 0.539 30.841 30.300 0.003 0.000 1.670 570 R HN 0.794 nan 8.270 nan 0.000 0.575 571 D N -0.402 119.998 120.400 0.001 0.000 2.327 571 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 571 D C 1.071 177.374 176.300 0.005 0.000 0.989 571 D CA 0.295 54.297 54.000 0.002 0.000 0.873 571 D CB 0.196 40.996 40.800 -0.001 0.000 0.955 571 D HN 0.318 nan 8.370 nan 0.000 0.515 572 E N 0.112 120.314 120.200 0.003 0.000 2.474 572 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 572 E C 1.471 178.076 176.600 0.007 0.000 1.039 572 E CA -0.256 56.147 56.400 0.004 0.000 0.881 572 E CB 0.350 30.050 29.700 -0.000 0.000 0.970 572 E HN 0.109 nan 8.360 nan 0.000 0.486 573 L N 0.773 122.002 121.223 0.010 0.000 2.265 573 L HA 0.007 4.347 4.340 -0.000 0.000 0.195 573 L C 2.331 179.223 176.870 0.036 0.000 1.083 573 L CA 1.133 55.982 54.840 0.016 0.000 0.798 573 L CB -0.738 41.327 42.059 0.011 0.000 0.989 573 L HN 0.191 nan 8.230 nan 0.000 0.472 574 V N -1.601 118.334 119.914 0.034 0.000 2.568 574 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 574 V C 2.301 178.424 176.094 0.049 0.000 1.072 574 V CA 1.965 64.294 62.300 0.049 0.000 1.084 574 V CB -0.996 30.845 31.823 0.029 0.000 0.676 574 V HN 0.599 nan 8.190 nan 0.000 0.469 575 E N 0.382 120.601 120.200 0.033 0.000 2.046 575 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 575 E C 2.218 178.836 176.600 0.029 0.000 0.982 575 E CA 0.964 57.381 56.400 0.027 0.000 0.800 575 E CB -0.009 29.701 29.700 0.016 0.000 0.756 575 E HN 0.510 nan 8.360 nan 0.000 0.449 576 K N 0.306 120.723 120.400 0.029 0.000 2.062 576 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 576 K C 2.170 178.793 176.600 0.038 0.000 1.051 576 K CA 0.814 57.115 56.287 0.023 0.000 0.941 576 K CB -0.309 32.203 32.500 0.020 0.000 0.719 576 K HN 0.129 nan 8.250 nan 0.000 0.440 577 V N 2.523 122.488 119.914 0.085 0.000 2.759 577 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 577 V C 1.753 177.935 176.094 0.147 0.000 1.080 577 V CA 1.328 63.725 62.300 0.162 0.000 1.101 577 V CB -0.467 31.519 31.823 0.271 0.000 0.698 577 V HN 0.306 nan 8.190 nan 0.000 0.477 578 N N -0.244 118.517 118.700 0.103 0.000 2.405 578 N HA -0.031 4.709 4.740 -0.000 0.000 0.175 578 N C 1.846 177.383 175.510 0.044 0.000 1.051 578 N CA 0.554 53.661 53.050 0.095 0.000 0.899 578 N CB 0.148 38.685 38.487 0.084 0.000 1.000 578 N HN 0.484 nan 8.380 nan 0.000 0.451 579 K N 0.925 121.334 120.400 0.013 0.000 2.076 579 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 579 K C 1.919 178.474 176.600 -0.075 0.000 1.051 579 K CA 1.497 57.772 56.287 -0.019 0.000 0.949 579 K CB -0.028 32.462 32.500 -0.018 0.000 0.726 579 K HN 0.161 nan 8.250 nan 0.000 0.443 580 T N -0.232 114.247 114.554 -0.125 0.000 2.857 580 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 580 T C 1.939 176.463 174.700 -0.292 0.000 1.048 580 T CA 0.578 62.495 62.100 -0.305 0.000 1.139 580 T CB -0.221 68.380 68.868 -0.445 0.000 0.874 580 T HN 0.077 nan 8.240 nan 0.000 0.455 581 L N 1.744 122.885 121.223 -0.137 0.000 2.083 581 L HA 0.236 4.575 4.340 -0.000 0.000 0.209 581 L C 2.905 179.720 176.870 -0.092 0.000 1.083 581 L CA 1.661 56.442 54.840 -0.097 0.000 0.752 581 L CB -1.205 40.871 42.059 0.028 0.000 0.899 581 L HN 0.449 nan 8.230 nan 0.000 0.433 582 A N -1.222 121.567 122.820 -0.050 0.000 1.970 582 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 582 A C 2.355 179.898 177.584 -0.068 0.000 1.170 582 A CA 1.349 53.363 52.037 -0.038 0.000 0.645 582 A CB -0.462 18.539 19.000 0.002 0.000 0.816 582 A HN 0.421 nan 8.150 nan 0.000 0.447 583 K N -0.823 119.523 120.400 -0.090 0.000 2.362 583 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 583 K C 2.019 178.583 176.600 -0.060 0.000 1.046 583 K CA 1.355 57.597 56.287 -0.075 0.000 0.952 583 K CB -0.023 32.421 32.500 -0.093 0.000 0.753 583 K HN 0.293 nan 8.250 nan 0.000 0.466 584 R N 0.477 120.920 120.500 -0.094 0.000 2.121 584 R HA 0.181 4.521 4.340 -0.000 0.000 0.206 584 R C 1.958 178.164 176.300 -0.157 0.000 1.094 584 R CA 0.756 56.824 56.100 -0.053 0.000 1.055 584 R CB -0.544 29.767 30.300 0.020 0.000 0.964 584 R HN 0.158 nan 8.270 nan 0.000 0.473 585 L N 0.961 122.053 121.223 -0.219 0.000 2.129 585 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 585 L C 2.116 178.848 176.870 -0.230 0.000 1.087 585 L CA 1.724 56.378 54.840 -0.310 0.000 0.757 585 L CB -0.407 41.463 42.059 -0.316 0.000 0.896 585 L HN 0.361 nan 8.230 nan 0.000 0.434 586 E N -0.546 119.568 120.200 -0.144 0.000 2.265 586 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 586 E C 1.482 178.023 176.600 -0.099 0.000 0.996 586 E CA 0.663 57.001 56.400 -0.103 0.000 0.832 586 E CB 0.189 29.852 29.700 -0.062 0.000 0.756 586 E HN 0.403 nan 8.360 nan 0.000 0.491 587 Q N -0.683 119.051 119.800 -0.110 0.000 2.198 587 Q HA 0.041 4.381 4.340 -0.000 0.000 0.209 587 Q C 0.830 176.756 176.000 -0.124 0.000 0.848 587 Q CA 0.464 56.217 55.803 -0.083 0.000 0.974 587 Q CB 1.282 29.994 28.738 -0.044 0.000 1.115 587 Q HN 0.251 nan 8.270 nan 0.000 0.494 588 T N -3.442 110.971 114.554 -0.236 0.000 3.209 588 T HA 0.021 4.370 4.350 -0.000 0.000 0.295 588 T C 0.843 175.400 174.700 -0.238 0.000 0.977 588 T CA -0.251 61.604 62.100 -0.407 0.000 0.922 588 T CB -0.161 68.173 68.868 -0.891 0.000 1.152 588 T HN 0.129 nan 8.240 nan 0.000 0.527 589 N N 2.303 120.908 118.700 -0.160 0.000 2.696 589 N HA -0.096 4.644 4.740 -0.000 0.000 0.196 589 N C 1.108 176.592 175.510 -0.043 0.000 1.220 589 N CA 1.042 54.014 53.050 -0.129 0.000 0.940 589 N CB -0.381 38.038 38.487 -0.113 0.000 0.999 589 N HN 0.632 nan 8.380 nan 0.000 0.447 590 S N -2.257 113.480 115.700 0.062 0.000 2.559 590 S HA 0.181 4.651 4.470 -0.000 0.000 0.226 590 S C 0.055 174.749 174.600 0.157 0.000 1.000 590 S CA -0.714 57.545 58.200 0.098 0.000 0.948 590 S CB -0.168 63.092 63.200 0.099 0.000 0.870 590 S HN 0.092 nan 8.310 nan 0.000 0.497 591 Y N 2.947 123.186 120.300 -0.103 0.000 2.300 591 Y HA 0.488 5.038 4.550 -0.000 0.000 0.328 591 Y C 0.761 176.606 175.900 -0.091 0.000 1.270 591 Y CA -1.668 56.377 58.100 -0.091 0.000 1.352 591 Y CB 0.059 38.453 38.460 -0.111 0.000 1.286 591 Y HN 0.063 nan 8.280 nan 0.000 0.536 592 D N 0.710 121.163 120.400 0.088 0.000 2.361 592 D HA -0.025 4.615 4.640 -0.000 0.000 0.239 592 D C 1.186 177.523 176.300 0.061 0.000 1.200 592 D CA -0.138 53.890 54.000 0.046 0.000 0.915 592 D CB 0.793 41.616 40.800 0.039 0.000 1.170 592 D HN 0.482 nan 8.370 nan 0.000 0.444 593 L N 2.504 123.761 121.223 0.057 0.000 1.971 593 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 593 L C 2.211 179.186 176.870 0.176 0.000 1.072 593 L CA 1.736 56.635 54.840 0.098 0.000 0.758 593 L CB -0.645 41.486 42.059 0.119 0.000 0.889 593 L HN 0.475 nan 8.230 nan 0.000 0.433 594 V N -2.594 117.427 119.914 0.178 0.000 2.233 594 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 594 V C 0.020 176.284 176.094 0.284 0.000 1.050 594 V CA 1.874 64.314 62.300 0.233 0.000 1.010 594 V CB -2.826 29.122 31.823 0.208 0.000 0.637 594 V HN 0.345 nan 8.190 nan 0.000 0.444 595 P HA -0.067 nan 4.420 nan 0.000 0.219 595 P C 1.880 179.305 177.300 0.207 0.000 1.150 595 P CA 1.066 64.314 63.100 0.246 0.000 0.814 595 P CB -0.173 31.649 31.700 0.204 0.000 0.787 596 R N -1.107 119.445 120.500 0.086 0.000 2.080 596 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 596 R C 2.085 178.157 176.300 -0.381 0.000 1.137 596 R CA 1.868 57.823 56.100 -0.241 0.000 0.943 596 R CB -1.099 28.956 30.300 -0.409 0.000 0.846 596 R HN 0.323 nan 8.270 nan 0.000 0.431 597 W N -0.598 120.655 121.300 -0.079 0.000 2.453 597 W HA -0.079 4.581 4.660 -0.000 0.000 0.289 597 W C 2.408 178.897 176.519 -0.051 0.000 1.215 597 W CA 0.410 57.678 57.345 -0.128 0.000 1.297 597 W CB -0.402 28.984 29.460 -0.124 0.000 1.113 597 W HN 0.258 nan 8.180 nan 0.000 0.551 598 H N -0.291 118.953 119.070 0.290 0.000 2.387 598 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 598 H C 1.554 176.989 175.328 0.179 0.000 1.090 598 H CA 2.078 58.270 56.048 0.240 0.000 1.332 598 H CB -0.710 29.155 29.762 0.172 0.000 1.386 598 H HN 0.258 nan 8.280 nan 0.000 0.516 599 D N 0.430 120.952 120.400 0.204 0.000 2.104 599 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 599 D C 2.346 178.686 176.300 0.066 0.000 0.994 599 D CA 1.572 55.630 54.000 0.097 0.000 0.830 599 D CB -0.084 40.701 40.800 -0.024 0.000 0.959 599 D HN 0.252 nan 8.370 nan 0.000 0.452 600 A N -0.392 122.393 122.820 -0.058 0.000 1.865 600 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 600 A C 2.209 179.777 177.584 -0.027 0.000 1.191 600 A CA 1.382 53.336 52.037 -0.140 0.000 0.623 600 A CB -1.337 17.424 19.000 -0.400 0.000 0.826 600 A HN 0.432 nan 8.150 nan 0.000 0.444 601 F N -0.245 119.812 119.950 0.178 0.000 2.407 601 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 601 F C 2.855 178.774 175.800 0.197 0.000 1.097 601 F CA 0.938 59.011 58.000 0.122 0.000 1.422 601 F CB 0.029 38.983 39.000 -0.077 0.000 1.067 601 F HN 0.299 nan 8.300 nan 0.000 0.539 602 S N 0.117 116.034 115.700 0.362 0.000 2.383 602 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 602 S C 2.023 176.835 174.600 0.353 0.000 1.026 602 S CA 1.070 59.457 58.200 0.311 0.000 0.981 602 S CB -0.576 62.758 63.200 0.223 0.000 0.818 602 S HN 0.509 nan 8.310 nan 0.000 0.472 603 F N 1.408 121.446 119.950 0.148 0.000 2.259 603 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 603 F C 2.381 178.286 175.800 0.175 0.000 1.088 603 F CA 0.538 58.608 58.000 0.117 0.000 1.358 603 F CB -0.285 38.745 39.000 0.049 0.000 1.040 603 F HN 0.373 nan 8.300 nan 0.000 0.505 604 A N 0.731 123.800 122.820 0.414 0.000 1.858 604 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 604 A C 2.316 180.194 177.584 0.489 0.000 1.190 604 A CA 1.654 53.940 52.037 0.414 0.000 0.617 604 A CB -1.449 17.929 19.000 0.630 0.000 0.827 604 A HN 0.446 nan 8.150 nan 0.000 0.443 605 A N -0.543 122.624 122.820 0.578 0.000 2.042 605 A HA -0.003 4.317 4.320 -0.000 0.000 0.222 605 A C 2.336 180.100 177.584 0.301 0.000 1.167 605 A CA 2.141 54.470 52.037 0.487 0.000 0.649 605 A CB -1.364 17.901 19.000 0.441 0.000 0.809 605 A HN 0.796 nan 8.150 nan 0.000 0.457 606 G N -0.665 108.324 108.800 0.315 0.000 2.402 606 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 606 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 606 G C 1.718 176.734 174.900 0.192 0.000 1.162 606 G CA 1.913 47.162 45.100 0.248 0.000 0.777 606 G HN 0.705 nan 8.290 nan 0.000 0.539 607 T N -1.465 113.209 114.554 0.200 0.000 2.985 607 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 607 T C 2.233 176.976 174.700 0.071 0.000 1.076 607 T CA 1.054 63.224 62.100 0.118 0.000 1.135 607 T CB -0.179 68.739 68.868 0.083 0.000 0.890 607 T HN 0.062 nan 8.240 nan 0.000 0.480 608 V N 1.062 121.025 119.914 0.082 0.000 2.759 608 V HA -0.039 4.081 4.120 -0.000 0.000 0.256 608 V C 2.430 178.479 176.094 -0.074 0.000 1.080 608 V CA 1.115 63.395 62.300 -0.033 0.000 1.101 608 V CB -0.517 31.251 31.823 -0.093 0.000 0.698 608 V HN 0.453 nan 8.190 nan 0.000 0.477 609 V N 0.089 120.002 119.914 -0.003 0.000 2.453 609 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 609 V C 2.324 178.405 176.094 -0.021 0.000 1.048 609 V CA 2.311 64.600 62.300 -0.018 0.000 1.049 609 V CB -0.266 31.575 31.823 0.030 0.000 0.672 609 V HN 0.734 nan 8.190 nan 0.000 0.457 610 E N 0.423 120.626 120.200 0.005 0.000 2.008 610 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 610 E C 2.268 178.857 176.600 -0.018 0.000 0.986 610 E CA 1.942 58.344 56.400 0.003 0.000 0.807 610 E CB -0.085 29.631 29.700 0.026 0.000 0.766 610 E HN 0.425 nan 8.360 nan 0.000 0.450 611 V N -0.036 119.865 119.914 -0.021 0.000 2.282 611 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 611 V C 1.848 177.907 176.094 -0.059 0.000 1.057 611 V CA 1.371 63.652 62.300 -0.032 0.000 1.032 611 V CB -0.610 31.197 31.823 -0.026 0.000 0.645 611 V HN 0.176 nan 8.190 nan 0.000 0.447 612 L N 1.293 122.456 121.223 -0.100 0.000 2.805 612 L HA 0.325 4.665 4.340 -0.000 0.000 0.237 612 L C 2.291 179.090 176.870 -0.117 0.000 1.252 612 L CA 1.194 55.949 54.840 -0.142 0.000 1.064 612 L CB -0.736 41.163 42.059 -0.268 0.000 1.361 612 L HN 0.451 nan 8.230 nan 0.000 0.474 613 S N 0.013 115.669 115.700 -0.074 0.000 2.359 613 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 613 S C 2.173 176.742 174.600 -0.052 0.000 1.035 613 S CA 1.866 60.033 58.200 -0.054 0.000 1.018 613 S CB 0.049 63.230 63.200 -0.032 0.000 0.876 613 S HN 0.647 nan 8.310 nan 0.000 0.448 614 S N 0.066 115.737 115.700 -0.049 0.000 2.561 614 S HA 0.108 4.578 4.470 -0.000 0.000 0.225 614 S C 0.954 175.524 174.600 -0.051 0.000 0.977 614 S CA 0.250 58.425 58.200 -0.042 0.000 0.926 614 S CB -0.660 62.520 63.200 -0.033 0.000 0.769 614 S HN 0.463 nan 8.310 nan 0.000 0.533 615 T N 2.550 117.061 114.554 -0.073 0.000 2.715 615 T HA 0.292 4.642 4.350 -0.000 0.000 0.320 615 T C 1.262 175.919 174.700 -0.071 0.000 1.046 615 T CA 0.402 62.453 62.100 -0.082 0.000 0.983 615 T CB 0.739 69.528 68.868 -0.131 0.000 1.183 615 T HN 0.530 nan 8.240 nan 0.000 0.522 616 S N -0.925 114.733 115.700 -0.069 0.000 2.730 616 S HA 0.303 4.773 4.470 -0.000 0.000 0.244 616 S C 0.354 174.920 174.600 -0.055 0.000 1.022 616 S CA -0.489 57.681 58.200 -0.050 0.000 1.014 616 S CB -0.490 62.690 63.200 -0.032 0.000 0.963 616 S HN 0.437 nan 8.310 nan 0.000 0.540 617 L N 3.313 124.481 121.223 -0.093 0.000 2.499 617 L HA 0.210 4.550 4.340 -0.000 0.000 0.281 617 L C 1.023 177.858 176.870 -0.059 0.000 1.234 617 L CA 0.012 54.793 54.840 -0.097 0.000 0.839 617 L CB 0.373 42.297 42.059 -0.225 0.000 1.104 617 L HN 0.482 nan 8.230 nan 0.000 0.500 618 S N 1.709 117.398 115.700 -0.018 0.000 2.646 618 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 618 S C 0.935 175.546 174.600 0.020 0.000 1.222 618 S CA -0.922 57.282 58.200 0.007 0.000 1.014 618 S CB 1.153 64.371 63.200 0.030 0.000 0.991 618 S HN 0.556 nan 8.310 nan 0.000 0.533 619 L N 1.021 122.262 121.223 0.030 0.000 2.201 619 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 619 L C 2.895 179.816 176.870 0.084 0.000 1.105 619 L CA 1.306 56.176 54.840 0.050 0.000 0.775 619 L CB -0.948 41.138 42.059 0.046 0.000 0.913 619 L HN 0.940 nan 8.230 nan 0.000 0.440 620 A N 0.047 122.916 122.820 0.080 0.000 2.015 620 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 620 A C 2.497 180.167 177.584 0.144 0.000 1.163 620 A CA 1.444 53.541 52.037 0.100 0.000 0.646 620 A CB -0.379 18.669 19.000 0.080 0.000 0.806 620 A HN 0.386 nan 8.150 nan 0.000 0.448 621 A N -0.291 122.618 122.820 0.150 0.000 1.826 621 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 621 A C 2.080 179.867 177.584 0.338 0.000 1.212 621 A CA 1.627 53.806 52.037 0.236 0.000 0.605 621 A CB -1.227 17.886 19.000 0.187 0.000 0.861 621 A HN 0.485 nan 8.150 nan 0.000 0.447 622 V N 1.294 121.363 119.914 0.259 0.000 2.511 622 V HA -0.308 3.812 4.120 -0.000 0.000 0.257 622 V C 2.327 178.666 176.094 0.409 0.000 1.088 622 V CA 2.498 65.001 62.300 0.339 0.000 1.098 622 V CB -1.283 30.623 31.823 0.138 0.000 0.674 622 V HN 0.764 nan 8.190 nan 0.000 0.470 623 N N -0.071 118.794 118.700 0.275 0.000 2.333 623 N HA 0.018 4.758 4.740 -0.000 0.000 0.178 623 N C 1.713 177.338 175.510 0.193 0.000 1.018 623 N CA 1.111 54.294 53.050 0.223 0.000 0.882 623 N CB -0.166 38.416 38.487 0.158 0.000 0.984 623 N HN 0.387 nan 8.380 nan 0.000 0.434 624 A N -0.328 122.624 122.820 0.219 0.000 1.898 624 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 624 A C 2.062 179.685 177.584 0.066 0.000 1.181 624 A CA 1.302 53.455 52.037 0.192 0.000 0.620 624 A CB -1.346 17.824 19.000 0.283 0.000 0.819 624 A HN 0.634 nan 8.150 nan 0.000 0.442 625 W N 1.204 122.375 121.300 -0.216 0.000 2.329 625 W HA -0.228 4.432 4.660 -0.000 0.000 0.324 625 W C 2.196 178.447 176.519 -0.446 0.000 1.222 625 W CA 2.401 59.303 57.345 -0.737 0.000 1.270 625 W CB -0.263 28.904 29.460 -0.488 0.000 1.167 625 W HN 0.264 nan 8.180 nan 0.000 0.467 626 K N 0.198 120.472 120.400 -0.210 0.000 2.127 626 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 626 K C 1.603 178.026 176.600 -0.295 0.000 1.047 626 K CA 2.339 58.410 56.287 -0.359 0.000 0.927 626 K CB -0.563 32.014 32.500 0.129 0.000 0.716 626 K HN 0.278 nan 8.250 nan 0.000 0.450 627 V N 0.870 120.708 119.914 -0.127 0.000 2.407 627 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 627 V C 2.562 178.563 176.094 -0.155 0.000 1.041 627 V CA 1.559 63.854 62.300 -0.007 0.000 1.040 627 V CB -0.516 31.359 31.823 0.086 0.000 0.671 627 V HN 0.455 nan 8.190 nan 0.000 0.455 628 A N 0.425 123.083 122.820 -0.270 0.000 1.858 628 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 628 A C 2.465 179.778 177.584 -0.452 0.000 1.190 628 A CA 2.185 54.058 52.037 -0.273 0.000 0.617 628 A CB -0.961 17.907 19.000 -0.221 0.000 0.827 628 A HN 0.542 nan 8.150 nan 0.000 0.443 629 A N 0.005 122.291 122.820 -0.889 0.000 1.859 629 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 629 A C 2.580 179.765 177.584 -0.665 0.000 1.198 629 A CA 2.921 54.215 52.037 -1.238 0.000 0.629 629 A CB -1.352 15.954 19.000 -2.823 0.000 0.830 629 A HN 1.223 nan 8.150 nan 0.000 0.446 630 A N -0.732 121.809 122.820 -0.465 0.000 1.859 630 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 630 A C 1.932 179.414 177.584 -0.169 0.000 1.198 630 A CA 1.841 53.853 52.037 -0.041 0.000 0.629 630 A CB -0.673 18.131 19.000 -0.327 0.000 0.830 630 A HN 0.533 nan 8.150 nan 0.000 0.446 631 E N -0.147 119.948 120.200 -0.174 0.000 2.209 631 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 631 E C 2.290 178.846 176.600 -0.073 0.000 0.993 631 E CA 1.225 57.578 56.400 -0.079 0.000 0.819 631 E CB -0.310 29.378 29.700 -0.019 0.000 0.745 631 E HN 0.626 nan 8.360 nan 0.000 0.477 632 S N 0.607 116.247 115.700 -0.100 0.000 2.335 632 S HA -0.082 4.388 4.470 -0.000 0.000 0.217 632 S C 2.206 176.786 174.600 -0.032 0.000 1.032 632 S CA 1.313 59.481 58.200 -0.052 0.000 0.985 632 S CB -0.141 63.016 63.200 -0.073 0.000 0.896 632 S HN 0.265 nan 8.310 nan 0.000 0.445 633 A N 1.789 124.563 122.820 -0.076 0.000 1.927 633 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 633 A C 2.182 179.514 177.584 -0.419 0.000 1.185 633 A CA 1.969 53.707 52.037 -0.499 0.000 0.639 633 A CB -1.087 16.994 19.000 -1.532 0.000 0.820 633 A HN 0.681 nan 8.150 nan 0.000 0.451 634 I N -0.506 119.884 120.570 -0.299 0.000 2.361 634 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 634 I C 2.518 178.641 176.117 0.011 0.000 1.133 634 I CA 1.409 62.660 61.300 -0.082 0.000 1.413 634 I CB -0.249 37.755 38.000 0.008 0.000 1.073 634 I HN 0.256 nan 8.210 nan 0.000 0.424 635 S N 0.681 116.389 115.700 0.012 0.000 2.377 635 S HA 0.007 4.477 4.470 -0.000 0.000 0.223 635 S C 1.978 176.629 174.600 0.085 0.000 1.030 635 S CA 0.711 58.941 58.200 0.050 0.000 0.970 635 S CB -0.159 63.061 63.200 0.033 0.000 0.830 635 S HN 0.293 nan 8.310 nan 0.000 0.473 636 L N 1.015 122.297 121.223 0.098 0.000 1.955 636 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 636 L C 2.952 179.984 176.870 0.270 0.000 1.072 636 L CA 1.807 56.735 54.840 0.146 0.000 0.755 636 L CB -0.936 41.163 42.059 0.065 0.000 0.888 636 L HN 0.345 nan 8.230 nan 0.000 0.432 637 T N -0.785 114.001 114.554 0.387 0.000 2.721 637 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 637 T C 1.941 176.728 174.700 0.145 0.000 1.038 637 T CA 1.808 64.034 62.100 0.211 0.000 1.145 637 T CB -0.091 68.735 68.868 -0.071 0.000 0.858 637 T HN 0.262 nan 8.240 nan 0.000 0.459 638 R N -0.285 120.294 120.500 0.132 0.000 2.115 638 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 638 R C 2.627 179.019 176.300 0.153 0.000 1.100 638 R CA 1.242 57.422 56.100 0.134 0.000 0.980 638 R CB -0.200 30.173 30.300 0.122 0.000 0.875 638 R HN 0.331 nan 8.270 nan 0.000 0.445 639 Q N 0.622 120.510 119.800 0.146 0.000 2.062 639 Q HA -0.069 4.271 4.340 -0.000 0.000 0.196 639 Q C 1.981 178.076 176.000 0.158 0.000 0.967 639 Q CA 1.393 57.279 55.803 0.139 0.000 0.832 639 Q CB -0.478 28.325 28.738 0.109 0.000 0.899 639 Q HN 0.172 nan 8.270 nan 0.000 0.442 640 V N 0.570 120.590 119.914 0.177 0.000 2.392 640 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 640 V C 2.164 178.370 176.094 0.186 0.000 1.059 640 V CA 2.083 64.492 62.300 0.182 0.000 1.051 640 V CB -0.269 31.690 31.823 0.227 0.000 0.658 640 V HN 0.368 nan 8.190 nan 0.000 0.455 641 R N -0.454 120.161 120.500 0.192 0.000 2.082 641 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 641 R C 2.354 178.883 176.300 0.381 0.000 1.136 641 R CA 2.036 58.283 56.100 0.245 0.000 0.935 641 R CB -0.488 29.963 30.300 0.252 0.000 0.842 641 R HN 0.498 nan 8.270 nan 0.000 0.430 642 E N -0.104 120.294 120.200 0.329 0.000 2.160 642 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 642 E C 1.785 178.538 176.600 0.255 0.000 0.991 642 E CA 1.680 58.275 56.400 0.325 0.000 0.810 642 E CB -0.107 29.728 29.700 0.225 0.000 0.742 642 E HN 0.225 nan 8.360 nan 0.000 0.466 643 T N -0.014 114.656 114.554 0.193 0.000 2.708 643 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 643 T C 1.443 176.201 174.700 0.096 0.000 1.037 643 T CA 1.202 63.380 62.100 0.131 0.000 1.146 643 T CB -0.505 68.433 68.868 0.117 0.000 0.865 643 T HN 0.237 nan 8.240 nan 0.000 0.435 644 F N 0.748 120.666 119.950 -0.054 0.000 2.025 644 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 644 F C 1.705 177.364 175.800 -0.235 0.000 1.132 644 F CA 1.356 59.219 58.000 -0.228 0.000 1.191 644 F CB -0.677 38.040 39.000 -0.471 0.000 0.963 644 F HN 0.234 nan 8.300 nan 0.000 0.481 645 W N 0.182 121.546 121.300 0.106 0.000 2.480 645 W HA -0.103 4.557 4.660 0.000 0.000 0.257 645 W C 2.466 178.952 176.519 -0.055 0.000 1.235 645 W CA 0.828 58.176 57.345 0.004 0.000 1.218 645 W CB -0.591 28.942 29.460 0.121 0.000 1.131 645 W HN -0.045 nan 8.180 nan 0.000 0.606 646 S N -0.405 115.352 115.700 0.095 0.000 2.441 646 S HA 0.220 4.690 4.470 -0.000 0.000 0.224 646 S C 1.248 175.834 174.600 -0.024 0.000 1.043 646 S CA 0.234 58.471 58.200 0.061 0.000 0.948 646 S CB -0.419 62.824 63.200 0.072 0.000 0.810 646 S HN 0.079 nan 8.310 nan 0.000 0.504 647 A N 1.733 124.487 122.820 -0.110 0.000 2.440 647 A HA 0.685 5.005 4.320 -0.000 0.000 0.251 647 A C 0.429 177.910 177.584 -0.172 0.000 1.089 647 A CA -0.297 51.659 52.037 -0.134 0.000 0.779 647 A CB -0.004 18.900 19.000 -0.159 0.000 1.022 647 A HN 0.454 nan 8.150 nan 0.000 0.492 648 A N 2.000 124.761 122.820 -0.098 0.000 2.386 648 A HA 0.444 4.764 4.320 -0.000 0.000 0.248 648 A C 1.465 178.996 177.584 -0.089 0.000 1.082 648 A CA 0.305 52.297 52.037 -0.076 0.000 0.789 648 A CB -0.153 18.827 19.000 -0.033 0.000 1.025 648 A HN 1.165 nan 8.150 nan 0.000 0.490 649 S N 0.338 116.002 115.700 -0.060 0.000 2.428 649 S HA -0.225 4.245 4.470 -0.000 0.000 0.240 649 S C 1.953 176.580 174.600 0.046 0.000 1.036 649 S CA 2.196 60.390 58.200 -0.011 0.000 1.009 649 S CB -0.678 62.524 63.200 0.004 0.000 0.803 649 S HN 1.062 nan 8.310 nan 0.000 0.486 650 T N -0.157 114.407 114.554 0.018 0.000 2.995 650 T HA 0.002 4.352 4.350 -0.000 0.000 0.269 650 T C 1.151 175.858 174.700 0.011 0.000 1.091 650 T CA 0.983 63.101 62.100 0.029 0.000 1.128 650 T CB -0.264 68.613 68.868 0.015 0.000 0.891 650 T HN 0.439 nan 8.240 nan 0.000 0.492 651 S N 0.682 116.370 115.700 -0.019 0.000 2.422 651 S HA 0.522 4.992 4.470 -0.000 0.000 0.226 651 S C -0.225 174.340 174.600 -0.059 0.000 1.242 651 S CA -0.856 57.322 58.200 -0.036 0.000 1.231 651 S CB 0.170 63.347 63.200 -0.039 0.000 1.067 651 S HN 0.234 nan 8.310 nan 0.000 0.462 652 S N 4.183 119.861 115.700 -0.037 0.000 2.565 652 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 652 S C -1.337 173.278 174.600 0.026 0.000 1.309 652 S CA -1.123 57.061 58.200 -0.027 0.000 1.043 652 S CB 0.963 64.218 63.200 0.091 0.000 0.939 652 S HN 0.429 nan 8.310 nan 0.000 0.504 653 P HA -0.074 nan 4.420 nan 0.000 0.228 653 P C 1.020 178.374 177.300 0.090 0.000 1.151 653 P CA 0.744 63.904 63.100 0.099 0.000 0.770 653 P CB 0.006 31.840 31.700 0.224 0.000 0.786 654 A N 0.735 123.633 122.820 0.129 0.000 1.933 654 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 654 A C 2.290 179.822 177.584 -0.088 0.000 1.175 654 A CA 1.047 53.148 52.037 0.106 0.000 0.628 654 A CB -1.538 17.446 19.000 -0.027 0.000 0.814 654 A HN 0.160 nan 8.150 nan 0.000 0.444 655 L N 0.038 121.145 121.223 -0.193 0.000 2.447 655 L HA -0.135 4.205 4.340 -0.000 0.000 0.225 655 L C 2.169 178.921 176.870 -0.197 0.000 1.148 655 L CA 1.025 55.747 54.840 -0.197 0.000 0.808 655 L CB -0.308 41.667 42.059 -0.141 0.000 0.928 655 L HN 0.297 nan 8.230 nan 0.000 0.448 656 S N -1.743 113.773 115.700 -0.306 0.000 2.501 656 S HA 0.018 4.488 4.470 -0.000 0.000 0.220 656 S C 1.208 175.443 174.600 -0.608 0.000 0.997 656 S CA 0.375 58.279 58.200 -0.494 0.000 0.919 656 S CB 0.080 62.852 63.200 -0.714 0.000 0.778 656 S HN 0.407 nan 8.310 nan 0.000 0.523 657 Y N 0.499 120.641 120.300 -0.263 0.000 2.526 657 Y HA 0.442 4.992 4.550 -0.000 0.000 0.265 657 Y C 0.638 176.334 175.900 -0.340 0.000 1.092 657 Y CA -0.783 57.017 58.100 -0.500 0.000 1.277 657 Y CB -0.128 37.588 38.460 -1.240 0.000 1.228 657 Y HN 0.035 nan 8.280 nan 0.000 0.507 658 L N 1.582 122.821 121.223 0.028 0.000 2.483 658 L HA 0.089 4.429 4.340 -0.000 0.000 0.276 658 L C 0.940 177.863 176.870 0.087 0.000 1.213 658 L CA -0.277 54.658 54.840 0.159 0.000 0.843 658 L CB 0.491 42.592 42.059 0.069 0.000 1.107 658 L HN 0.186 nan 8.230 nan 0.000 0.487 659 S N 2.063 117.838 115.700 0.124 0.000 2.593 659 S HA 0.195 4.665 4.470 -0.000 0.000 0.269 659 S C -1.834 172.798 174.600 0.054 0.000 1.334 659 S CA -1.124 57.129 58.200 0.089 0.000 1.015 659 S CB 1.028 64.293 63.200 0.107 0.000 0.912 659 S HN 0.415 nan 8.310 nan 0.000 0.541 660 P HA -0.106 nan 4.420 nan 0.000 0.216 660 P C 1.327 178.646 177.300 0.032 0.000 1.153 660 P CA 1.424 64.539 63.100 0.025 0.000 0.858 660 P CB 0.048 31.759 31.700 0.019 0.000 0.789 661 R N -1.248 119.272 120.500 0.033 0.000 2.093 661 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 661 R C 2.171 178.494 176.300 0.039 0.000 1.101 661 R CA 1.755 57.872 56.100 0.028 0.000 0.979 661 R CB -1.180 29.129 30.300 0.014 0.000 0.877 661 R HN 0.296 nan 8.270 nan 0.000 0.441 662 T N -2.087 112.499 114.554 0.052 0.000 3.118 662 T HA -0.046 4.304 4.350 -0.000 0.000 0.260 662 T C 1.710 176.475 174.700 0.108 0.000 1.139 662 T CA 0.404 62.546 62.100 0.070 0.000 1.085 662 T CB 0.180 69.092 68.868 0.073 0.000 0.934 662 T HN 0.161 nan 8.240 nan 0.000 0.518 663 Q N 0.325 120.178 119.800 0.088 0.000 2.187 663 Q HA 0.113 4.453 4.340 -0.000 0.000 0.199 663 Q C 2.076 178.170 176.000 0.157 0.000 0.957 663 Q CA 0.820 56.681 55.803 0.096 0.000 0.857 663 Q CB -0.283 28.479 28.738 0.041 0.000 0.929 663 Q HN 0.618 nan 8.270 nan 0.000 0.453 664 I N 0.350 120.987 120.570 0.113 0.000 2.118 664 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 664 I C 2.211 178.423 176.117 0.158 0.000 1.070 664 I CA 0.880 62.246 61.300 0.111 0.000 1.327 664 I CB -0.333 37.700 38.000 0.054 0.000 1.034 664 I HN 0.304 nan 8.210 nan 0.000 0.405 665 L N 0.089 121.396 121.223 0.141 0.000 2.083 665 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 665 L C 2.457 179.475 176.870 0.247 0.000 1.083 665 L CA 1.765 56.706 54.840 0.169 0.000 0.752 665 L CB -0.953 41.166 42.059 0.100 0.000 0.899 665 L HN 0.224 nan 8.230 nan 0.000 0.433 666 Y N 0.092 120.458 120.300 0.109 0.000 2.081 666 Y HA -0.332 4.218 4.550 -0.000 0.000 0.280 666 Y C 2.415 178.377 175.900 0.102 0.000 1.163 666 Y CA 2.367 60.524 58.100 0.095 0.000 1.135 666 Y CB -0.510 37.998 38.460 0.081 0.000 0.970 666 Y HN 0.240 nan 8.280 nan 0.000 0.498 667 A N -0.130 122.895 122.820 0.341 0.000 1.933 667 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 667 A C 2.158 179.823 177.584 0.135 0.000 1.175 667 A CA 1.557 53.726 52.037 0.221 0.000 0.628 667 A CB -1.561 17.566 19.000 0.213 0.000 0.814 667 A HN 0.684 nan 8.150 nan 0.000 0.444 668 F N 0.957 120.929 119.950 0.036 0.000 2.069 668 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 668 F C 2.214 178.008 175.800 -0.010 0.000 1.113 668 F CA 2.240 60.250 58.000 0.015 0.000 1.214 668 F CB -0.501 38.511 39.000 0.020 0.000 0.978 668 F HN 0.039 nan 8.300 nan 0.000 0.474 669 V N 1.121 120.975 119.914 -0.099 0.000 2.270 669 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 669 V C 2.626 178.583 176.094 -0.228 0.000 1.043 669 V CA 2.066 64.231 62.300 -0.224 0.000 1.014 669 V CB -0.717 31.060 31.823 -0.076 0.000 0.645 669 V HN 0.254 nan 8.190 nan 0.000 0.447 670 R N -0.205 120.149 120.500 -0.242 0.000 2.115 670 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 670 R C 2.152 178.379 176.300 -0.121 0.000 1.111 670 R CA 1.077 57.047 56.100 -0.217 0.000 0.976 670 R CB -0.222 29.862 30.300 -0.359 0.000 0.870 670 R HN 0.542 nan 8.270 nan 0.000 0.445 671 E N 0.407 120.548 120.200 -0.098 0.000 2.075 671 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 671 E C 1.964 178.507 176.600 -0.096 0.000 0.950 671 E CA 0.592 56.957 56.400 -0.058 0.000 0.859 671 E CB -0.308 29.393 29.700 0.001 0.000 0.846 671 E HN 0.309 nan 8.360 nan 0.000 0.467 672 E N 1.100 121.211 120.200 -0.149 0.000 2.051 672 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 672 E C 2.238 178.691 176.600 -0.244 0.000 0.991 672 E CA 0.857 57.145 56.400 -0.187 0.000 0.799 672 E CB -0.116 29.452 29.700 -0.220 0.000 0.748 672 E HN 0.136 nan 8.360 nan 0.000 0.449 673 L N -0.495 120.504 121.223 -0.374 0.000 2.313 673 L HA 0.073 4.413 4.340 -0.000 0.000 0.214 673 L C 1.633 178.422 176.870 -0.135 0.000 1.119 673 L CA 0.618 55.296 54.840 -0.270 0.000 0.809 673 L CB -0.279 41.581 42.059 -0.331 0.000 0.933 673 L HN 0.369 nan 8.230 nan 0.000 0.449 674 G N 0.277 109.005 108.800 -0.121 0.000 2.143 674 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.249 674 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.249 674 G C 0.209 175.094 174.900 -0.025 0.000 0.981 674 G CA 0.057 45.122 45.100 -0.058 0.000 0.665 674 G HN 0.120 nan 8.290 nan 0.000 0.528 675 V N 2.400 122.294 119.914 -0.033 0.000 2.405 675 V HA 0.366 4.486 4.120 -0.000 0.000 0.264 675 V C 0.568 176.672 176.094 0.016 0.000 1.048 675 V CA -0.296 62.023 62.300 0.033 0.000 0.966 675 V CB 1.027 32.896 31.823 0.076 0.000 1.015 675 V HN 0.257 nan 8.190 nan 0.000 0.477 676 K N 3.237 123.676 120.400 0.065 0.000 2.132 676 K HA 0.744 5.064 4.320 -0.000 0.000 0.241 676 K C 0.307 176.988 176.600 0.135 0.000 1.000 676 K CA -0.514 55.819 56.287 0.076 0.000 0.911 676 K CB 1.397 33.963 32.500 0.109 0.000 1.093 676 K HN 0.612 nan 8.250 nan 0.000 0.460 677 A N 1.067 123.999 122.820 0.186 0.000 2.406 677 A HA 0.192 4.512 4.320 -0.000 0.000 0.243 677 A C 0.073 177.888 177.584 0.384 0.000 1.082 677 A CA -0.002 52.192 52.037 0.262 0.000 0.786 677 A CB 0.188 19.374 19.000 0.309 0.000 1.029 677 A HN 0.591 nan 8.150 nan 0.000 0.495 678 R N 0.404 121.083 120.500 0.298 0.000 2.393 678 R HA 0.357 4.697 4.340 -0.000 0.000 0.310 678 R C 0.891 177.172 176.300 -0.033 0.000 0.968 678 R CA -0.577 55.569 56.100 0.078 0.000 0.867 678 R CB 0.882 31.085 30.300 -0.161 0.000 1.124 678 R HN 0.913 nan 8.270 nan 0.000 0.450 679 R N 1.820 122.118 120.500 -0.337 0.000 2.112 679 R HA 0.143 4.483 4.340 -0.000 0.000 0.216 679 R C -0.171 175.879 176.300 -0.417 0.000 1.080 679 R CA 1.019 56.671 56.100 -0.746 0.000 0.996 679 R CB 0.414 29.971 30.300 -1.238 0.000 0.902 679 R HN 0.873 nan 8.270 nan 0.000 0.449 680 G N 0.318 108.961 108.800 -0.262 0.000 2.760 680 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.540 680 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.540 680 G C -0.895 173.974 174.900 -0.052 0.000 1.476 680 G CA -0.554 44.457 45.100 -0.149 0.000 0.949 680 G HN 0.076 nan 8.290 nan 0.000 0.633 681 D N 0.632 121.011 120.400 -0.034 0.000 2.144 681 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 681 D C 2.727 179.028 176.300 0.001 0.000 0.978 681 D CA 1.548 55.542 54.000 -0.010 0.000 0.833 681 D CB 0.166 40.964 40.800 -0.003 0.000 0.961 681 D HN 0.337 nan 8.370 nan 0.000 0.470 682 V N 0.641 120.561 119.914 0.010 0.000 2.427 682 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 682 V C 2.092 178.196 176.094 0.017 0.000 1.051 682 V CA 1.059 63.364 62.300 0.007 0.000 1.048 682 V CB -0.553 31.272 31.823 0.004 0.000 0.666 682 V HN 0.076 nan 8.190 nan 0.000 0.456 683 F N 0.656 120.545 119.950 -0.102 0.000 2.084 683 F HA -0.103 4.424 4.527 -0.000 0.000 0.296 683 F C 2.061 177.795 175.800 -0.110 0.000 1.111 683 F CA 1.667 59.600 58.000 -0.111 0.000 1.224 683 F CB -0.187 38.721 39.000 -0.154 0.000 0.991 683 F HN -0.011 nan 8.300 nan 0.000 0.471 684 L N 0.209 121.479 121.223 0.080 0.000 2.265 684 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 684 L C 1.820 178.633 176.870 -0.095 0.000 1.117 684 L CA 0.990 55.816 54.840 -0.022 0.000 0.782 684 L CB -1.396 40.667 42.059 0.006 0.000 0.914 684 L HN 0.528 nan 8.230 nan 0.000 0.441 685 G N 1.171 109.921 108.800 -0.084 0.000 2.160 685 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 685 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 685 G C 0.116 174.988 174.900 -0.047 0.000 1.008 685 G CA 0.739 45.792 45.100 -0.077 0.000 0.724 685 G HN 0.570 nan 8.290 nan 0.000 0.514 686 K N -1.380 119.001 120.400 -0.031 0.000 2.536 686 K HA 0.657 4.977 4.320 -0.000 0.000 0.269 686 K C -0.699 175.894 176.600 -0.011 0.000 0.965 686 K CA -1.106 55.169 56.287 -0.019 0.000 0.860 686 K CB 1.267 33.757 32.500 -0.017 0.000 1.423 686 K HN 0.054 nan 8.250 nan 0.000 0.438 687 Q N 1.926 121.724 119.800 -0.005 0.000 2.465 687 Q HA 0.161 4.501 4.340 -0.000 0.000 0.237 687 Q C -0.873 175.130 176.000 0.006 0.000 1.051 687 Q CA -0.422 55.382 55.803 0.002 0.000 0.874 687 Q CB 1.357 30.098 28.738 0.004 0.000 1.207 687 Q HN 0.482 nan 8.270 nan 0.000 0.508 688 E N 0.578 120.782 120.200 0.007 0.000 2.421 688 E HA -0.011 4.339 4.350 -0.000 0.000 0.253 688 E C 1.054 177.667 176.600 0.022 0.000 1.277 688 E CA -0.192 56.218 56.400 0.015 0.000 0.968 688 E CB 0.729 30.439 29.700 0.017 0.000 1.040 688 E HN 0.456 nan 8.360 nan 0.000 0.512 689 V N -1.045 118.886 119.914 0.028 0.000 3.443 689 V HA -0.181 3.939 4.120 -0.000 0.000 0.276 689 V C 0.396 176.507 176.094 0.029 0.000 1.254 689 V CA 0.725 63.042 62.300 0.029 0.000 1.226 689 V CB -2.760 29.084 31.823 0.034 0.000 0.959 689 V HN 0.893 nan 8.190 nan 0.000 0.573 690 T N -3.858 110.715 114.554 0.032 0.000 0.541 690 T HA -0.282 4.068 4.350 -0.000 0.000 0.774 690 T C 0.366 175.078 174.700 0.020 0.000 0.992 690 T CA 0.655 62.771 62.100 0.028 0.000 4.077 690 T CB -1.533 67.342 68.868 0.012 0.000 2.303 690 T HN 0.425 nan 8.240 nan 0.000 0.398 691 I N 3.087 123.667 120.570 0.017 0.000 2.208 691 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 691 I C 2.920 178.931 176.117 -0.178 0.000 1.097 691 I CA 2.031 63.284 61.300 -0.078 0.000 1.363 691 I CB -1.040 36.928 38.000 -0.053 0.000 1.051 691 I HN 0.979 nan 8.210 nan 0.000 0.413 692 G N -0.015 108.726 108.800 -0.097 0.000 2.442 692 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 692 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 692 G C 1.735 176.598 174.900 -0.062 0.000 1.141 692 G CA 1.032 46.081 45.100 -0.085 0.000 0.763 692 G HN 0.392 nan 8.290 nan 0.000 0.554 693 S N 0.486 116.167 115.700 -0.032 0.000 2.423 693 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 693 S C 2.066 176.667 174.600 0.002 0.000 1.014 693 S CA 1.139 59.335 58.200 -0.007 0.000 0.965 693 S CB -0.249 62.955 63.200 0.007 0.000 0.785 693 S HN 0.595 nan 8.310 nan 0.000 0.495 694 N N 0.700 119.393 118.700 -0.012 0.000 2.207 694 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 694 N C 1.583 177.098 175.510 0.008 0.000 1.020 694 N CA 0.855 53.921 53.050 0.027 0.000 0.858 694 N CB -0.108 38.439 38.487 0.100 0.000 0.991 694 N HN 0.087 nan 8.380 nan 0.000 0.427 695 V N 0.774 120.620 119.914 -0.112 0.000 2.343 695 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 695 V C 2.072 178.196 176.094 0.050 0.000 1.051 695 V CA 1.573 63.836 62.300 -0.062 0.000 1.036 695 V CB -0.551 31.186 31.823 -0.143 0.000 0.654 695 V HN 0.282 nan 8.190 nan 0.000 0.451 696 S N -0.537 115.181 115.700 0.029 0.000 2.383 696 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 696 S C 2.012 176.701 174.600 0.147 0.000 1.030 696 S CA 1.158 59.413 58.200 0.091 0.000 1.002 696 S CB -0.270 62.955 63.200 0.041 0.000 0.829 696 S HN 0.509 nan 8.310 nan 0.000 0.467 697 K N 1.016 121.470 120.400 0.090 0.000 2.097 697 K HA 0.046 4.366 4.320 -0.000 0.000 0.206 697 K C 1.906 178.557 176.600 0.086 0.000 1.049 697 K CA 0.936 57.266 56.287 0.072 0.000 0.933 697 K CB -0.440 32.082 32.500 0.036 0.000 0.717 697 K HN 0.432 nan 8.250 nan 0.000 0.442 698 I N -0.245 120.396 120.570 0.119 0.000 2.406 698 I HA -0.244 3.926 4.170 -0.000 0.000 0.249 698 I C 2.415 178.631 176.117 0.165 0.000 1.122 698 I CA 0.721 62.107 61.300 0.144 0.000 1.431 698 I CB -0.334 37.766 38.000 0.167 0.000 1.087 698 I HN 0.026 nan 8.210 nan 0.000 0.424 699 Y N 2.163 122.493 120.300 0.051 0.000 2.128 699 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 699 Y C 2.373 178.295 175.900 0.037 0.000 1.154 699 Y CA 1.818 59.937 58.100 0.032 0.000 1.149 699 Y CB -0.319 38.143 38.460 0.002 0.000 0.976 699 Y HN 0.139 nan 8.280 nan 0.000 0.505 700 E N -0.070 120.133 120.200 0.006 0.000 2.153 700 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 700 E C 2.270 178.836 176.600 -0.056 0.000 0.988 700 E CA 0.913 57.264 56.400 -0.082 0.000 0.811 700 E CB -0.303 29.430 29.700 0.055 0.000 0.746 700 E HN 0.599 nan 8.360 nan 0.000 0.466 701 A N 0.597 123.436 122.820 0.031 0.000 2.014 701 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 701 A C 2.026 179.649 177.584 0.065 0.000 1.163 701 A CA 0.761 52.865 52.037 0.111 0.000 0.652 701 A CB -0.288 18.862 19.000 0.251 0.000 0.808 701 A HN 0.129 nan 8.150 nan 0.000 0.449 702 I N -0.795 119.766 120.570 -0.015 0.000 2.206 702 I HA -0.150 4.020 4.170 -0.000 0.000 0.239 702 I C 2.212 178.257 176.117 -0.119 0.000 1.078 702 I CA 0.876 62.143 61.300 -0.055 0.000 1.367 702 I CB -0.210 37.752 38.000 -0.064 0.000 1.078 702 I HN 0.091 nan 8.210 nan 0.000 0.413 703 K N 0.975 121.213 120.400 -0.270 0.000 2.103 703 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 703 K C 2.153 178.683 176.600 -0.116 0.000 1.048 703 K CA 1.909 58.044 56.287 -0.252 0.000 0.930 703 K CB -0.768 31.471 32.500 -0.435 0.000 0.716 703 K HN 0.427 nan 8.250 nan 0.000 0.444 704 S N -0.740 114.909 115.700 -0.085 0.000 2.561 704 S HA 0.041 4.511 4.470 -0.000 0.000 0.225 704 S C 1.543 176.144 174.600 0.002 0.000 0.977 704 S CA 1.026 59.210 58.200 -0.028 0.000 0.926 704 S CB -0.108 63.089 63.200 -0.004 0.000 0.769 704 S HN 0.449 nan 8.310 nan 0.000 0.533 705 G N 1.929 110.733 108.800 0.005 0.000 2.234 705 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.260 705 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.260 705 G C 0.905 175.815 174.900 0.017 0.000 0.987 705 G CA 0.478 45.595 45.100 0.028 0.000 0.625 705 G HN 0.568 nan 8.290 nan 0.000 0.532 706 R N 0.079 120.603 120.500 0.040 0.000 2.154 706 R HA -0.067 4.273 4.340 -0.000 0.000 0.248 706 R C 2.460 178.740 176.300 -0.033 0.000 1.155 706 R CA 2.024 58.164 56.100 0.067 0.000 0.979 706 R CB -0.312 30.092 30.300 0.174 0.000 0.869 706 R HN 0.594 nan 8.270 nan 0.000 0.452 707 I N 1.465 121.992 120.570 -0.071 0.000 2.546 707 I HA -0.218 3.952 4.170 -0.000 0.000 0.255 707 I C 1.187 177.160 176.117 -0.240 0.000 1.163 707 I CA 1.120 62.253 61.300 -0.278 0.000 1.457 707 I CB 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