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 1h76_1_A DATA FIRST_RESID 3 DATA SEQUENCE QKTVRWcTIS NQEANKcSSF RENMSKAVKN GPLVScVKKS SYLDcIKAIR DATA SEQUENCE DKEADAVTLD AGLVFEAGLA PYNLKPVVAE FYGQKDNPQT HYYAVAVVKK DATA SEQUENCE GSNFQWNQLQ GKRScHTGLG RSAGWIIPMG LLYDQLPEPR KPIEKAVASF DATA SEQUENCE FSSScVPcAD PVNFPKLcQQ cAGKGAEKcA cSNHEPYFGY AGAFNcLKED DATA SEQUENCE AGDVAFVKHS TVLENLPDKA DRDQYELLcR DNTRRPVDDY ENcYLAQVPS DATA SEQUENCE HAVVARSVDG QEDSIWELLN QAQEHFGRDK SPDFQLFSSS HGKDLLFKDS DATA SEQUENCE ANGFLKIPSK MDSSLYLGYQ YVTALRNLRE EXXXXXXXXE cKKVRWcAIG DATA SEQUENCE HEETQKcDAW SINSGGKIEc VSAENTEDcI AKIVKGEADA MSLDGGYIYI DATA SEQUENCE AGKcGLVPVL AENYKTEGEN cVNTPEKGYL AVAVVKKSSG PDLNWNNLKG DATA SEQUENCE KKScHTAVDR TAGWNIPMGL LYNKINScKF DQFFGEGcAP GSQRNSSLcA DATA SEQUENCE LcIGSERAPG REcLANNHER YYGYTGAFRc LVEKGDVAFV KDQVVQQNTD DATA SEQUENCE GKNKDDWAKD LKQMDFELLc QNGAREPVDN AENcHLARAP NHAVVARDDK DATA SEQUENCE VTcVAEELLK QQAQFGRHVT DcSSSFcMFK SNTKDLLFRD DTQcLARVGK DATA SEQUENCE TTYESYLGAD YITAVANLRK cSTSKLLEAc TFHSA 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.995 176.000 -0.009 0.000 1.003 3 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 3 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 4 K N 1.641 122.038 120.400 -0.004 0.000 2.270 4 K HA 0.621 4.947 4.320 0.009 0.000 0.276 4 K C -0.759 175.838 176.600 -0.005 0.000 1.023 4 K CA 0.211 56.498 56.287 -0.000 0.000 0.955 4 K CB 1.430 33.936 32.500 0.010 0.000 0.975 4 K HN 0.271 nan 8.250 nan 0.000 0.471 5 T N 1.711 116.263 114.554 -0.003 0.000 2.807 5 T HA 0.264 4.620 4.350 0.009 0.000 0.279 5 T C -0.552 174.155 174.700 0.012 0.000 0.993 5 T CA -0.767 61.330 62.100 -0.006 0.000 0.970 5 T CB 1.345 70.206 68.868 -0.011 0.000 0.950 5 T HN 0.267 nan 8.240 nan 0.000 0.441 6 V N 4.709 124.639 119.914 0.027 0.000 2.370 6 V HA 0.403 4.529 4.120 0.009 0.000 0.279 6 V C 0.304 176.453 176.094 0.093 0.000 1.029 6 V CA -0.843 61.499 62.300 0.071 0.000 0.870 6 V CB 1.123 33.031 31.823 0.141 0.000 0.984 6 V HN 0.712 nan 8.190 nan 0.000 0.451 7 R N 4.615 125.151 120.500 0.058 0.000 2.205 7 R HA 0.218 4.564 4.340 0.009 0.000 0.342 7 R C -0.564 175.770 176.300 0.058 0.000 1.058 7 R CA -0.299 55.836 56.100 0.058 0.000 0.904 7 R CB 0.858 31.161 30.300 0.005 0.000 1.089 7 R HN 0.693 nan 8.270 nan 0.000 0.471 8 W N 4.322 125.631 121.300 0.015 0.000 2.315 8 W HA 0.191 4.856 4.660 0.009 0.000 0.316 8 W C -0.413 176.117 176.519 0.019 0.000 1.211 8 W CA -0.889 56.482 57.345 0.043 0.000 1.201 8 W CB 1.411 30.930 29.460 0.097 0.000 1.184 8 W HN 0.432 nan 8.180 nan 0.000 0.544 9 c N 6.407 124.915 118.600 -0.152 0.000 2.285 9 c HA 0.522 5.098 4.570 0.009 0.000 0.335 9 c C 0.740 174.912 174.090 0.137 0.000 1.267 9 c CA -0.016 56.304 56.329 -0.015 0.000 1.762 9 c CB -0.462 41.974 42.510 -0.123 0.000 2.365 9 c HN 0.627 nan 8.230 nan 0.000 0.527 10 T N 3.180 117.813 114.554 0.130 0.000 2.945 10 T HA 0.545 4.900 4.350 0.009 0.000 0.286 10 T C 0.517 175.234 174.700 0.027 0.000 1.025 10 T CA -0.680 61.488 62.100 0.115 0.000 1.039 10 T CB 1.263 70.192 68.868 0.101 0.000 1.068 10 T HN 0.808 nan 8.240 nan 0.000 0.497 11 I N -1.361 119.207 120.570 -0.003 0.000 4.240 11 I HA 0.411 4.587 4.170 0.009 0.000 0.331 11 I C 0.109 176.105 176.117 -0.203 0.000 1.381 11 I CA -0.641 60.603 61.300 -0.092 0.000 1.136 11 I CB 0.262 38.209 38.000 -0.090 0.000 1.137 11 I HN 0.721 nan 8.210 nan 0.000 0.411 12 S N -0.722 114.900 115.700 -0.131 0.000 2.588 12 S HA 0.399 4.874 4.470 0.009 0.000 0.269 12 S C -0.086 174.566 174.600 0.087 0.000 1.157 12 S CA -0.757 57.342 58.200 -0.168 0.000 0.824 12 S CB 1.191 64.287 63.200 -0.174 0.000 1.126 12 S HN 0.063 nan 8.310 nan 0.000 0.464 13 N N 1.064 119.986 118.700 0.371 0.000 2.104 13 N HA -0.137 4.608 4.740 0.009 0.000 0.190 13 N C 1.550 177.099 175.510 0.065 0.000 1.024 13 N CA 1.952 55.108 53.050 0.176 0.000 0.853 13 N CB -0.702 37.843 38.487 0.097 0.000 1.008 13 N HN 0.684 nan 8.380 nan 0.000 0.424 14 Q N 0.887 120.747 119.800 0.099 0.000 2.084 14 Q HA -0.021 4.324 4.340 0.009 0.000 0.202 14 Q C 1.909 177.926 176.000 0.030 0.000 0.978 14 Q CA 1.039 56.874 55.803 0.054 0.000 0.844 14 Q CB -0.102 28.715 28.738 0.131 0.000 0.898 14 Q HN 0.481 nan 8.270 nan 0.000 0.426 15 E N 0.052 120.283 120.200 0.052 0.000 2.110 15 E HA -0.168 4.188 4.350 0.009 0.000 0.193 15 E C 1.959 178.577 176.600 0.030 0.000 0.988 15 E CA 0.864 57.292 56.400 0.047 0.000 0.804 15 E CB -0.140 29.594 29.700 0.056 0.000 0.745 15 E HN 0.391 nan 8.360 nan 0.000 0.458 16 A N 1.812 124.644 122.820 0.021 0.000 1.933 16 A HA -0.231 4.095 4.320 0.009 0.000 0.218 16 A C 1.994 179.558 177.584 -0.032 0.000 1.175 16 A CA 1.390 53.432 52.037 0.009 0.000 0.628 16 A CB -0.586 18.421 19.000 0.011 0.000 0.814 16 A HN 0.192 nan 8.150 nan 0.000 0.444 17 N N -0.111 118.531 118.700 -0.097 0.000 2.084 17 N HA -0.189 4.556 4.740 0.009 0.000 0.190 17 N C 1.847 177.302 175.510 -0.093 0.000 1.030 17 N CA 1.815 54.751 53.050 -0.190 0.000 0.849 17 N CB -0.235 37.942 38.487 -0.517 0.000 1.012 17 N HN 0.614 nan 8.380 nan 0.000 0.423 18 K N 0.366 120.758 120.400 -0.014 0.000 2.057 18 K HA -0.114 4.211 4.320 0.009 0.000 0.207 18 K C 2.396 179.053 176.600 0.097 0.000 1.049 18 K CA 1.189 57.547 56.287 0.119 0.000 0.931 18 K CB -0.350 32.233 32.500 0.138 0.000 0.714 18 K HN 0.223 nan 8.250 nan 0.000 0.440 19 c N 0.623 119.256 118.600 0.056 0.000 2.425 19 c HA -0.043 4.533 4.570 0.009 0.000 0.277 19 c C 2.640 176.736 174.090 0.009 0.000 1.280 19 c CA 1.366 57.743 56.329 0.079 0.000 1.744 19 c CB -0.920 41.642 42.510 0.086 0.000 1.989 19 c HN 0.538 nan 8.230 nan 0.000 0.491 20 S N 0.890 116.571 115.700 -0.031 0.000 2.368 20 S HA -0.149 4.326 4.470 0.009 0.000 0.225 20 S C 2.007 176.523 174.600 -0.141 0.000 1.030 20 S CA 1.899 60.054 58.200 -0.075 0.000 0.999 20 S CB -0.337 62.826 63.200 -0.062 0.000 0.844 20 S HN 0.790 nan 8.310 nan 0.000 0.459 21 S N 1.326 116.932 115.700 -0.156 0.000 2.402 21 S HA -0.012 4.463 4.470 0.009 0.000 0.229 21 S C 1.495 175.645 174.600 -0.750 0.000 1.021 21 S CA 0.678 58.687 58.200 -0.319 0.000 0.974 21 S CB -0.410 62.693 63.200 -0.162 0.000 0.800 21 S HN 0.522 nan 8.310 nan 0.000 0.484 22 F N 3.205 122.584 119.950 -0.951 0.000 2.102 22 F HA -0.033 4.500 4.527 0.010 0.000 0.298 22 F C 2.344 177.796 175.800 -0.579 0.000 1.105 22 F CA 1.198 58.580 58.000 -1.031 0.000 1.239 22 F CB -0.742 38.018 39.000 -0.400 0.000 0.991 22 F HN 0.055 nan 8.300 nan 0.000 0.474 23 R N 0.284 120.570 120.500 -0.357 0.000 2.080 23 R HA -0.174 4.172 4.340 0.009 0.000 0.236 23 R C 2.156 178.285 176.300 -0.286 0.000 1.137 23 R CA 1.934 57.828 56.100 -0.344 0.000 0.943 23 R CB -0.361 29.813 30.300 -0.211 0.000 0.846 23 R HN 0.195 nan 8.270 nan 0.000 0.431 24 E N 0.568 120.612 120.200 -0.260 0.000 2.051 24 E HA -0.165 4.191 4.350 0.009 0.000 0.192 24 E C 1.805 178.275 176.600 -0.216 0.000 0.991 24 E CA 1.076 57.355 56.400 -0.202 0.000 0.799 24 E CB -0.473 29.122 29.700 -0.174 0.000 0.748 24 E HN 0.458 nan 8.360 nan 0.000 0.449 25 N N 0.194 118.681 118.700 -0.355 0.000 2.188 25 N HA -0.087 4.659 4.740 0.009 0.000 0.184 25 N C 1.804 177.240 175.510 -0.125 0.000 1.018 25 N CA 0.862 53.701 53.050 -0.351 0.000 0.858 25 N CB -0.091 37.930 38.487 -0.777 0.000 0.989 25 N HN 0.152 nan 8.380 nan 0.000 0.426 26 M N 0.874 120.376 119.600 -0.163 0.000 2.117 26 M HA -0.038 4.448 4.480 0.009 0.000 0.262 26 M C 2.191 178.460 176.300 -0.053 0.000 1.065 26 M CA 0.875 56.174 55.300 -0.003 0.000 1.114 26 M CB -1.109 31.394 32.600 -0.163 0.000 1.361 26 M HN -0.013 nan 8.290 nan 0.000 0.408 27 S N 0.637 116.273 115.700 -0.105 0.000 2.365 27 S HA -0.182 4.293 4.470 0.009 0.000 0.225 27 S C 1.928 176.497 174.600 -0.053 0.000 1.039 27 S CA 1.479 59.629 58.200 -0.083 0.000 1.033 27 S CB -0.163 62.983 63.200 -0.090 0.000 0.887 27 S HN 0.449 nan 8.310 nan 0.000 0.447 28 K N 0.754 121.133 120.400 -0.036 0.000 2.031 28 K HA 0.063 4.388 4.320 0.009 0.000 0.205 28 K C 2.379 178.968 176.600 -0.018 0.000 1.049 28 K CA 1.160 57.439 56.287 -0.013 0.000 0.939 28 K CB -0.256 32.251 32.500 0.012 0.000 0.717 28 K HN 0.330 nan 8.250 nan 0.000 0.438 29 A N 0.926 123.740 122.820 -0.011 0.000 1.970 29 A HA 0.028 4.354 4.320 0.009 0.000 0.216 29 A C 0.866 178.288 177.584 -0.269 0.000 1.170 29 A CA 0.586 52.521 52.037 -0.170 0.000 0.645 29 A CB 0.289 19.111 19.000 -0.298 0.000 0.816 29 A HN 0.044 nan 8.150 nan 0.000 0.447 30 V N 0.198 120.011 119.914 -0.169 0.000 2.409 30 V HA 0.245 4.371 4.120 0.009 0.000 0.291 30 V C 0.884 176.940 176.094 -0.063 0.000 1.020 30 V CA -0.532 61.695 62.300 -0.121 0.000 0.848 30 V CB 1.514 33.283 31.823 -0.090 0.000 0.990 30 V HN 0.474 nan 8.190 nan 0.000 0.430 31 K N 2.812 123.187 120.400 -0.042 0.000 2.137 31 K HA 0.079 4.405 4.320 0.009 0.000 0.202 31 K C 1.166 177.752 176.600 -0.022 0.000 1.052 31 K CA 0.856 57.126 56.287 -0.028 0.000 0.961 31 K CB 0.263 32.753 32.500 -0.018 0.000 0.741 31 K HN 0.682 nan 8.250 nan 0.000 0.452 32 N N -0.430 118.261 118.700 -0.015 0.000 2.210 32 N HA 0.038 4.784 4.740 0.009 0.000 0.203 32 N C 0.525 176.029 175.510 -0.010 0.000 1.175 32 N CA 0.082 53.126 53.050 -0.010 0.000 0.894 32 N CB 0.785 39.271 38.487 -0.001 0.000 1.041 32 N HN 0.032 nan 8.380 nan 0.000 0.506 33 G N 2.484 111.277 108.800 -0.013 0.000 2.614 33 G HA2 0.233 4.199 3.960 0.009 0.000 0.239 33 G HA3 0.233 4.199 3.960 0.009 0.000 0.239 33 G C -2.385 172.502 174.900 -0.021 0.000 1.240 33 G CA -0.447 44.647 45.100 -0.011 0.000 0.842 33 G HN -0.044 nan 8.290 nan 0.000 0.584 34 P HA 0.008 nan 4.420 nan 0.000 0.267 34 P C 0.148 177.418 177.300 -0.051 0.000 1.195 34 P CA 0.221 63.310 63.100 -0.019 0.000 0.773 34 P CB 0.482 32.182 31.700 0.000 0.000 0.837 35 L N 1.399 122.590 121.223 -0.054 0.000 2.421 35 L HA 0.378 4.723 4.340 0.009 0.000 0.263 35 L C 0.201 177.008 176.870 -0.106 0.000 1.122 35 L CA -0.896 53.892 54.840 -0.087 0.000 0.804 35 L CB 0.831 42.851 42.059 -0.065 0.000 1.150 35 L HN 0.075 nan 8.230 nan 0.000 0.457 36 V N 0.783 120.590 119.914 -0.178 0.000 2.581 36 V HA 0.561 4.686 4.120 0.009 0.000 0.303 36 V C -0.037 175.992 176.094 -0.109 0.000 1.041 36 V CA -0.427 61.765 62.300 -0.180 0.000 0.907 36 V CB 1.721 33.282 31.823 -0.437 0.000 0.994 36 V HN 0.921 nan 8.190 nan 0.000 0.442 37 S N 2.764 118.450 115.700 -0.023 0.000 2.569 37 S HA 0.690 5.165 4.470 0.009 0.000 0.280 37 S C -0.917 173.718 174.600 0.058 0.000 1.111 37 S CA -0.718 57.477 58.200 -0.008 0.000 0.887 37 S CB 1.697 64.890 63.200 -0.011 0.000 1.095 37 S HN 0.701 nan 8.310 nan 0.000 0.476 38 c N 2.023 120.653 118.600 0.050 0.000 2.382 38 c HA 0.847 5.422 4.570 0.009 0.000 0.327 38 c C -0.303 173.823 174.090 0.059 0.000 1.250 38 c CA -0.571 55.815 56.329 0.094 0.000 1.707 38 c CB 0.660 43.218 42.510 0.079 0.000 2.272 38 c HN 0.749 nan 8.230 nan 0.000 0.506 39 V N 2.982 122.935 119.914 0.066 0.000 2.483 39 V HA 0.421 4.547 4.120 0.009 0.000 0.297 39 V C -0.170 175.940 176.094 0.027 0.000 1.027 39 V CA -0.542 61.774 62.300 0.026 0.000 0.855 39 V CB 1.615 33.441 31.823 0.006 0.000 0.995 39 V HN 0.837 nan 8.190 nan 0.000 0.424 40 K N 5.058 125.465 120.400 0.012 0.000 2.253 40 K HA 0.523 4.848 4.320 0.009 0.000 0.277 40 K C -0.365 176.226 176.600 -0.015 0.000 1.053 40 K CA -0.555 55.736 56.287 0.007 0.000 0.892 40 K CB 0.554 33.059 32.500 0.009 0.000 1.102 40 K HN 0.505 nan 8.250 nan 0.000 0.469 41 K N 0.656 121.037 120.400 -0.031 0.000 2.246 41 K HA 0.277 4.603 4.320 0.009 0.000 0.239 41 K C 0.416 176.965 176.600 -0.086 0.000 1.089 41 K CA -0.579 55.673 56.287 -0.057 0.000 0.892 41 K CB 1.437 33.895 32.500 -0.070 0.000 1.334 41 K HN 0.605 nan 8.250 nan 0.000 0.507 42 S N -1.740 113.894 115.700 -0.111 0.000 2.701 42 S HA 0.183 4.658 4.470 0.009 0.000 0.242 42 S C 0.094 174.580 174.600 -0.190 0.000 1.025 42 S CA 0.001 58.106 58.200 -0.159 0.000 1.016 42 S CB -0.104 63.022 63.200 -0.123 0.000 0.977 42 S HN 0.578 nan 8.310 nan 0.000 0.546 43 S N 0.063 115.666 115.700 -0.161 0.000 2.615 43 S HA 0.385 4.860 4.470 0.009 0.000 0.268 43 S C 0.329 174.859 174.600 -0.115 0.000 1.146 43 S CA -0.425 57.689 58.200 -0.144 0.000 0.818 43 S CB -0.319 62.768 63.200 -0.188 0.000 1.111 43 S HN 0.474 nan 8.310 nan 0.000 0.465 44 Y N 0.768 121.028 120.300 -0.067 0.000 2.274 44 Y HA 0.091 4.648 4.550 0.010 0.000 0.290 44 Y C 1.858 177.694 175.900 -0.107 0.000 1.145 44 Y CA 1.394 59.459 58.100 -0.058 0.000 1.203 44 Y CB -0.425 38.028 38.460 -0.012 0.000 0.984 44 Y HN 0.522 nan 8.280 nan 0.000 0.533 45 L N 1.380 121.834 121.223 -1.282 0.000 2.056 45 L HA -0.135 4.211 4.340 0.009 0.000 0.207 45 L C 1.726 178.324 176.870 -0.455 0.000 1.078 45 L CA 1.868 56.143 54.840 -0.942 0.000 0.749 45 L CB -0.889 40.633 42.059 -0.895 0.000 0.901 45 L HN 0.202 nan 8.230 nan 0.000 0.433 46 D N -1.084 119.118 120.400 -0.329 0.000 2.182 46 D HA -0.195 4.450 4.640 0.009 0.000 0.201 46 D C 2.310 178.507 176.300 -0.171 0.000 0.986 46 D CA 1.539 55.419 54.000 -0.201 0.000 0.847 46 D CB -0.350 40.359 40.800 -0.152 0.000 0.942 46 D HN 0.432 nan 8.370 nan 0.000 0.467 47 c N 0.350 118.848 118.600 -0.170 0.000 2.446 47 c HA -0.019 4.557 4.570 0.009 0.000 0.277 47 c C 2.857 176.853 174.090 -0.157 0.000 1.275 47 c CA -0.147 56.103 56.329 -0.132 0.000 1.727 47 c CB -0.871 41.585 42.510 -0.089 0.000 2.010 47 c HN 0.336 nan 8.230 nan 0.000 0.486 48 I N 0.735 121.178 120.570 -0.211 0.000 2.208 48 I HA -0.252 3.923 4.170 0.009 0.000 0.245 48 I C 2.498 178.477 176.117 -0.229 0.000 1.097 48 I CA 1.632 62.771 61.300 -0.268 0.000 1.363 48 I CB -0.338 37.383 38.000 -0.465 0.000 1.051 48 I HN 0.401 nan 8.210 nan 0.000 0.413 49 K N 0.536 120.807 120.400 -0.216 0.000 2.057 49 K HA -0.094 4.231 4.320 0.009 0.000 0.206 49 K C 2.226 178.804 176.600 -0.036 0.000 1.050 49 K CA 1.354 57.610 56.287 -0.052 0.000 0.935 49 K CB -0.229 32.248 32.500 -0.038 0.000 0.715 49 K HN 0.294 nan 8.250 nan 0.000 0.439 50 A N 1.337 124.113 122.820 -0.072 0.000 1.933 50 A HA -0.130 4.196 4.320 0.009 0.000 0.218 50 A C 2.077 179.626 177.584 -0.058 0.000 1.175 50 A CA 1.224 53.225 52.037 -0.060 0.000 0.628 50 A CB -0.533 18.425 19.000 -0.070 0.000 0.814 50 A HN 0.169 nan 8.150 nan 0.000 0.444 51 I N -1.047 119.477 120.570 -0.077 0.000 2.252 51 I HA -0.217 3.959 4.170 0.009 0.000 0.245 51 I C 2.695 178.789 176.117 -0.037 0.000 1.102 51 I CA 1.461 62.716 61.300 -0.075 0.000 1.385 51 I CB -0.305 37.631 38.000 -0.106 0.000 1.064 51 I HN 0.373 nan 8.210 nan 0.000 0.414 52 R N 1.043 121.540 120.500 -0.006 0.000 2.096 52 R HA -0.189 4.156 4.340 0.009 0.000 0.235 52 R C 1.044 177.349 176.300 0.009 0.000 1.127 52 R CA 1.831 57.949 56.100 0.030 0.000 0.968 52 R CB -0.147 30.222 30.300 0.115 0.000 0.861 52 R HN 0.278 nan 8.270 nan 0.000 0.440 53 D N 0.586 120.987 120.400 0.001 0.000 2.336 53 D HA 0.022 4.667 4.640 0.009 0.000 0.229 53 D C -0.055 176.235 176.300 -0.017 0.000 1.061 53 D CA 0.372 54.367 54.000 -0.007 0.000 0.875 53 D CB 0.199 40.994 40.800 -0.008 0.000 0.904 53 D HN 0.178 nan 8.370 nan 0.000 0.525 54 K N -0.206 120.181 120.400 -0.022 0.000 3.129 54 K HA -0.224 4.102 4.320 0.009 0.000 0.273 54 K C 0.392 176.976 176.600 -0.027 0.000 1.123 54 K CA 0.525 56.797 56.287 -0.026 0.000 0.800 54 K CB -1.355 31.133 32.500 -0.020 0.000 1.238 54 K HN 0.296 nan 8.250 nan 0.000 0.492 55 E N -0.601 119.580 120.200 -0.032 0.000 2.452 55 E HA 0.203 4.558 4.350 0.009 0.000 0.197 55 E C 0.444 177.021 176.600 -0.037 0.000 1.022 55 E CA 0.511 56.893 56.400 -0.031 0.000 0.890 55 E CB 0.642 30.324 29.700 -0.030 0.000 0.918 55 E HN 0.458 nan 8.360 nan 0.000 0.496 56 A N 0.164 122.952 122.820 -0.053 0.000 2.588 56 A HA 0.397 4.723 4.320 0.009 0.000 0.290 56 A C -0.917 176.612 177.584 -0.092 0.000 1.136 56 A CA -0.702 51.292 52.037 -0.071 0.000 0.681 56 A CB 1.178 20.122 19.000 -0.092 0.000 1.282 56 A HN -0.068 nan 8.150 nan 0.000 0.421 57 D N -0.628 119.697 120.400 -0.126 0.000 2.469 57 D HA 0.443 5.088 4.640 0.009 0.000 0.240 57 D C 0.433 176.595 176.300 -0.230 0.000 1.087 57 D CA 1.381 55.302 54.000 -0.133 0.000 0.876 57 D CB 1.127 41.880 40.800 -0.077 0.000 1.160 57 D HN 0.871 nan 8.370 nan 0.000 0.497 58 A N 0.490 123.055 122.820 -0.426 0.000 2.594 58 A HA 0.658 4.983 4.320 0.009 0.000 0.295 58 A C -1.530 175.416 177.584 -1.065 0.000 1.071 58 A CA -0.613 50.996 52.037 -0.713 0.000 0.685 58 A CB 2.349 20.784 19.000 -0.942 0.000 1.285 58 A HN -0.053 nan 8.150 nan 0.000 0.405 59 V N 0.509 119.973 119.914 -0.750 0.000 3.167 59 V HA 0.689 4.815 4.120 0.009 0.000 0.293 59 V C -0.899 175.154 176.094 -0.068 0.000 1.379 59 V CA -0.243 61.780 62.300 -0.461 0.000 1.019 59 V CB 2.533 34.221 31.823 -0.223 0.000 1.115 59 V HN 1.138 nan 8.190 nan 0.000 0.442 60 T N 6.799 121.473 114.554 0.199 0.000 2.767 60 T HA 0.689 5.045 4.350 0.009 0.000 0.288 60 T C -0.509 174.311 174.700 0.200 0.000 0.963 60 T CA -0.171 62.105 62.100 0.295 0.000 1.019 60 T CB 0.672 69.804 68.868 0.440 0.000 0.923 60 T HN 0.521 nan 8.240 nan 0.000 0.468 61 L N 2.453 123.759 121.223 0.138 0.000 2.381 61 L HA 0.459 4.804 4.340 0.009 0.000 0.268 61 L C 0.436 177.175 176.870 -0.217 0.000 0.997 61 L CA -1.170 53.664 54.840 -0.010 0.000 0.818 61 L CB 1.904 43.957 42.059 -0.010 0.000 1.310 61 L HN 0.649 nan 8.230 nan 0.000 0.416 62 D N 1.628 121.672 120.400 -0.593 0.000 2.449 62 D HA 0.008 4.654 4.640 0.009 0.000 0.236 62 D C 0.865 177.094 176.300 -0.118 0.000 1.149 62 D CA 0.406 53.894 54.000 -0.853 0.000 0.878 62 D CB 1.838 42.350 40.800 -0.481 0.000 1.198 62 D HN 0.709 nan 8.370 nan 0.000 0.446 63 A N 3.506 126.420 122.820 0.157 0.000 2.019 63 A HA -0.082 4.244 4.320 0.009 0.000 0.219 63 A C 2.061 179.830 177.584 0.308 0.000 1.164 63 A CA 1.796 54.033 52.037 0.334 0.000 0.644 63 A CB -0.763 18.523 19.000 0.477 0.000 0.805 63 A HN 0.736 nan 8.150 nan 0.000 0.449 64 G N -0.250 108.701 108.800 0.251 0.000 2.432 64 G HA2 -0.127 3.839 3.960 0.009 0.000 0.219 64 G HA3 -0.127 3.839 3.960 0.009 0.000 0.219 64 G C 1.425 176.417 174.900 0.152 0.000 1.135 64 G CA 1.076 46.288 45.100 0.188 0.000 0.767 64 G HN 0.480 nan 8.290 nan 0.000 0.550 65 L N 0.087 121.338 121.223 0.047 0.000 2.375 65 L HA 0.096 4.442 4.340 0.009 0.000 0.215 65 L C 2.765 179.677 176.870 0.071 0.000 1.108 65 L CA -0.156 54.677 54.840 -0.012 0.000 0.830 65 L CB -0.179 41.703 42.059 -0.296 0.000 0.959 65 L HN 0.017 nan 8.230 nan 0.000 0.457 66 V N 0.402 120.377 119.914 0.102 0.000 2.332 66 V HA -0.338 3.788 4.120 0.009 0.000 0.248 66 V C 2.341 178.520 176.094 0.141 0.000 1.055 66 V CA 2.217 64.584 62.300 0.111 0.000 1.038 66 V CB -0.579 31.343 31.823 0.164 0.000 0.651 66 V HN 0.400 nan 8.190 nan 0.000 0.450 67 F N 1.411 121.402 119.950 0.069 0.000 2.095 67 F HA -0.229 4.306 4.527 0.014 0.000 0.298 67 F C 2.531 178.365 175.800 0.057 0.000 1.104 67 F CA 2.378 60.407 58.000 0.048 0.000 1.232 67 F CB -0.355 38.643 39.000 -0.004 0.000 0.987 67 F HN 0.293 nan 8.300 nan 0.000 0.475 68 E N 0.243 120.462 120.200 0.032 0.000 2.153 68 E HA -0.181 4.174 4.350 0.009 0.000 0.194 68 E C 2.141 178.738 176.600 -0.005 0.000 0.988 68 E CA 1.010 57.401 56.400 -0.016 0.000 0.811 68 E CB -0.345 29.452 29.700 0.162 0.000 0.746 68 E HN 0.466 nan 8.360 nan 0.000 0.466 69 A N 0.635 123.451 122.820 -0.007 0.000 2.015 69 A HA 0.003 4.328 4.320 0.009 0.000 0.219 69 A C 2.311 179.908 177.584 0.022 0.000 1.163 69 A CA 1.252 53.278 52.037 -0.019 0.000 0.646 69 A CB -0.730 18.251 19.000 -0.032 0.000 0.806 69 A HN 0.417 nan 8.150 nan 0.000 0.448 70 G N -0.795 107.970 108.800 -0.058 0.000 2.744 70 G HA2 0.291 4.257 3.960 0.009 0.000 0.211 70 G HA3 0.291 4.257 3.960 0.009 0.000 0.211 70 G C 0.551 175.378 174.900 -0.121 0.000 1.143 70 G CA -0.120 44.932 45.100 -0.080 0.000 0.788 70 G HN 0.403 nan 8.290 nan 0.000 0.534 71 L N 0.904 122.039 121.223 -0.148 0.000 2.375 71 L HA 0.566 4.912 4.340 0.009 0.000 0.271 71 L C 0.926 177.733 176.870 -0.105 0.000 1.107 71 L CA -1.036 53.709 54.840 -0.158 0.000 0.806 71 L CB 1.250 43.192 42.059 -0.194 0.000 1.146 71 L HN 0.046 nan 8.230 nan 0.000 0.447 72 A N 3.526 126.259 122.820 -0.145 0.000 2.483 72 A HA 0.261 4.587 4.320 0.009 0.000 0.238 72 A C -1.487 175.895 177.584 -0.337 0.000 1.070 72 A CA -0.700 51.220 52.037 -0.195 0.000 0.770 72 A CB -0.308 18.606 19.000 -0.143 0.000 1.008 72 A HN 0.688 nan 8.150 nan 0.000 0.497 73 P HA 0.096 nan 4.420 nan 0.000 0.261 73 P C 0.133 177.229 177.300 -0.339 0.000 1.352 73 P CA 0.563 63.431 63.100 -0.387 0.000 0.891 73 P CB -0.044 31.442 31.700 -0.357 0.000 1.383 74 Y N 0.798 121.059 120.300 -0.065 0.000 2.243 74 Y HA -0.012 4.543 4.550 0.009 0.000 0.293 74 Y C 1.193 177.054 175.900 -0.064 0.000 1.124 74 Y CA 0.215 58.277 58.100 -0.064 0.000 1.159 74 Y CB -0.894 37.528 38.460 -0.064 0.000 1.008 74 Y HN -0.056 nan 8.280 nan 0.000 0.527 75 N N 0.643 119.381 118.700 0.063 0.000 2.727 75 N HA -0.187 4.559 4.740 0.009 0.000 0.249 75 N C -0.956 174.560 175.510 0.010 0.000 1.048 75 N CA 0.768 53.823 53.050 0.008 0.000 0.714 75 N CB -1.854 36.620 38.487 -0.020 0.000 0.959 75 N HN 0.335 nan 8.380 nan 0.000 0.544 76 L N -0.183 121.053 121.223 0.021 0.000 2.416 76 L HA 0.442 4.788 4.340 0.009 0.000 0.262 76 L C 0.989 177.842 176.870 -0.029 0.000 1.093 76 L CA -0.578 54.254 54.840 -0.012 0.000 0.801 76 L CB 0.809 42.854 42.059 -0.024 0.000 1.191 76 L HN 0.134 nan 8.230 nan 0.000 0.459 77 K N 0.292 120.664 120.400 -0.046 0.000 2.435 77 K HA 0.608 4.934 4.320 0.009 0.000 0.251 77 K C -2.929 173.616 176.600 -0.093 0.000 0.954 77 K CA -2.029 54.222 56.287 -0.060 0.000 0.820 77 K CB 1.924 34.389 32.500 -0.058 0.000 1.292 77 K HN 0.136 nan 8.250 nan 0.000 0.436 78 P HA -0.004 nan 4.420 nan 0.000 0.281 78 P C 0.434 177.615 177.300 -0.198 0.000 1.252 78 P CA -0.543 62.420 63.100 -0.228 0.000 0.778 78 P CB 1.316 32.723 31.700 -0.488 0.000 0.895 79 V N 1.562 121.399 119.914 -0.129 0.000 3.473 79 V HA 0.274 4.399 4.120 0.009 0.000 0.253 79 V C 0.335 176.395 176.094 -0.058 0.000 1.340 79 V CA 0.335 62.578 62.300 -0.096 0.000 1.103 79 V CB 0.405 32.203 31.823 -0.042 0.000 0.881 79 V HN 0.186 nan 8.190 nan 0.000 0.451 80 V N 0.985 120.912 119.914 0.022 0.000 2.760 80 V HA 0.913 5.039 4.120 0.009 0.000 0.309 80 V C -0.186 176.041 176.094 0.221 0.000 1.077 80 V CA -0.168 62.215 62.300 0.140 0.000 0.910 80 V CB 1.467 33.428 31.823 0.231 0.000 1.008 80 V HN 0.587 nan 8.190 nan 0.000 0.424 81 A N 2.821 125.852 122.820 0.352 0.000 2.337 81 A HA 0.779 5.104 4.320 0.009 0.000 0.329 81 A C -0.224 177.666 177.584 0.510 0.000 1.146 81 A CA -0.645 51.665 52.037 0.455 0.000 0.800 81 A CB 0.755 20.119 19.000 0.606 0.000 1.220 81 A HN 0.855 nan 8.150 nan 0.000 0.472 82 E N 0.552 120.996 120.200 0.407 0.000 2.398 82 E HA 0.375 4.731 4.350 0.009 0.000 0.263 82 E C -0.838 175.638 176.600 -0.206 0.000 1.046 82 E CA 0.336 56.769 56.400 0.056 0.000 0.908 82 E CB 0.642 30.289 29.700 -0.089 0.000 0.963 82 E HN 0.546 nan 8.360 nan 0.000 0.431 83 F N 0.294 119.940 119.950 -0.507 0.000 2.546 83 F HA 0.569 5.101 4.527 0.009 0.000 0.320 83 F C -1.196 174.107 175.800 -0.829 0.000 1.076 83 F CA -1.105 56.557 58.000 -0.565 0.000 0.928 83 F CB 0.781 39.640 39.000 -0.235 0.000 1.189 83 F HN 0.278 nan 8.300 nan 0.000 0.465 84 Y N 1.648 122.035 120.300 0.145 0.000 2.534 84 Y HA 0.752 5.308 4.550 0.010 0.000 0.329 84 Y C 0.904 176.900 175.900 0.160 0.000 1.154 84 Y CA -0.374 57.735 58.100 0.015 0.000 1.192 84 Y CB 1.411 39.877 38.460 0.010 0.000 1.275 84 Y HN 1.180 nan 8.280 nan 0.000 0.491 85 G N 0.773 109.702 108.800 0.215 0.000 2.584 85 G HA2 -0.192 3.774 3.960 0.009 0.000 0.229 85 G HA3 -0.192 3.774 3.960 0.009 0.000 0.229 85 G C -1.060 173.940 174.900 0.166 0.000 1.320 85 G CA -0.867 44.335 45.100 0.170 0.000 0.891 85 G HN 0.625 nan 8.290 nan 0.000 0.573 86 Q N 0.441 120.308 119.800 0.113 0.000 2.299 86 Q HA 0.370 4.716 4.340 0.009 0.000 0.246 86 Q C 1.424 177.462 176.000 0.062 0.000 0.935 86 Q CA 0.187 56.041 55.803 0.086 0.000 0.887 86 Q CB 0.970 29.729 28.738 0.035 0.000 1.223 86 Q HN 0.684 nan 8.270 nan 0.000 0.439 87 K N 0.956 121.404 120.400 0.080 0.000 2.362 87 K HA -0.150 4.176 4.320 0.009 0.000 0.200 87 K C 0.627 177.120 176.600 -0.178 0.000 1.046 87 K CA 1.388 57.633 56.287 -0.069 0.000 0.952 87 K CB 0.063 32.616 32.500 0.089 0.000 0.753 87 K HN 0.551 nan 8.250 nan 0.000 0.466 88 D N 0.468 120.813 120.400 -0.090 0.000 2.323 88 D HA -0.110 4.536 4.640 0.009 0.000 0.209 88 D C 0.162 176.401 176.300 -0.102 0.000 0.973 88 D CA 0.509 54.459 54.000 -0.084 0.000 0.874 88 D CB -0.154 40.622 40.800 -0.040 0.000 0.930 88 D HN 0.130 nan 8.370 nan 0.000 0.521 89 N N 0.566 119.200 118.700 -0.110 0.000 2.711 89 N HA 0.232 4.978 4.740 0.009 0.000 0.263 89 N C -2.956 172.482 175.510 -0.120 0.000 1.667 89 N CA -1.581 51.411 53.050 -0.097 0.000 0.785 89 N CB 0.995 39.456 38.487 -0.043 0.000 1.231 89 N HN -0.196 nan 8.380 nan 0.000 0.503 90 P HA 0.127 nan 4.420 nan 0.000 0.271 90 P C -0.712 176.534 177.300 -0.090 0.000 1.216 90 P CA 0.036 62.951 63.100 -0.309 0.000 0.771 90 P CB 0.586 31.838 31.700 -0.747 0.000 0.864 91 Q N 1.491 121.338 119.800 0.077 0.000 2.278 91 Q HA 0.245 4.591 4.340 0.009 0.000 0.257 91 Q C 0.673 176.798 176.000 0.209 0.000 0.928 91 Q CA 0.073 55.961 55.803 0.142 0.000 0.932 91 Q CB 1.010 29.870 28.738 0.203 0.000 1.221 91 Q HN 0.484 nan 8.270 nan 0.000 0.434 92 T N -1.098 113.558 114.554 0.170 0.000 3.214 92 T HA 0.323 4.679 4.350 0.009 0.000 0.264 92 T C -0.080 174.599 174.700 -0.035 0.000 1.012 92 T CA -0.116 62.082 62.100 0.163 0.000 0.901 92 T CB -0.066 68.885 68.868 0.138 0.000 1.070 92 T HN 0.448 nan 8.240 nan 0.000 0.561 93 H N 0.229 119.395 119.070 0.159 0.000 2.928 93 H HA 0.625 5.188 4.556 0.012 0.000 0.371 93 H C -1.211 174.120 175.328 0.005 0.000 1.186 93 H CA -1.078 54.952 56.048 -0.031 0.000 1.134 93 H CB 1.468 31.051 29.762 -0.298 0.000 1.824 93 H HN 0.387 nan 8.280 nan 0.000 0.554 94 Y N -1.762 118.452 120.300 -0.143 0.000 2.638 94 Y HA 0.617 5.175 4.550 0.013 0.000 0.339 94 Y C -1.651 174.053 175.900 -0.328 0.000 1.084 94 Y CA -1.473 56.470 58.100 -0.261 0.000 1.068 94 Y CB 0.928 39.176 38.460 -0.353 0.000 1.294 94 Y HN 0.438 nan 8.280 nan 0.000 0.480 95 Y N 1.431 121.775 120.300 0.074 0.000 2.326 95 Y HA 0.654 5.208 4.550 0.006 0.000 0.337 95 Y C 0.334 176.298 175.900 0.106 0.000 1.023 95 Y CA -0.690 57.376 58.100 -0.056 0.000 1.143 95 Y CB 1.509 39.879 38.460 -0.150 0.000 1.183 95 Y HN 0.864 nan 8.280 nan 0.000 0.485 96 A N 3.715 126.668 122.820 0.222 0.000 2.328 96 A HA 0.713 5.039 4.320 0.009 0.000 0.284 96 A C -0.374 177.382 177.584 0.285 0.000 1.160 96 A CA -0.359 51.831 52.037 0.255 0.000 0.818 96 A CB 0.027 19.141 19.000 0.190 0.000 1.087 96 A HN 0.751 nan 8.150 nan 0.000 0.504 97 V N -1.487 118.592 119.914 0.276 0.000 3.160 97 V HA 0.966 5.091 4.120 0.009 0.000 0.310 97 V C -0.189 176.066 176.094 0.269 0.000 1.181 97 V CA -0.528 61.914 62.300 0.236 0.000 1.047 97 V CB 1.507 33.439 31.823 0.182 0.000 1.068 97 V HN 1.754 nan 8.190 nan 0.000 0.441 98 A N 1.295 124.243 122.820 0.214 0.000 2.311 98 A HA 0.839 5.165 4.320 0.009 0.000 0.306 98 A C -0.733 176.890 177.584 0.065 0.000 1.189 98 A CA -0.611 51.517 52.037 0.152 0.000 0.791 98 A CB 1.233 20.436 19.000 0.337 0.000 1.172 98 A HN 1.305 nan 8.150 nan 0.000 0.481 99 V N 3.440 123.360 119.914 0.009 0.000 2.427 99 V HA 0.633 4.759 4.120 0.009 0.000 0.286 99 V C 0.237 176.364 176.094 0.055 0.000 1.034 99 V CA -0.325 62.018 62.300 0.072 0.000 0.893 99 V CB 1.219 33.118 31.823 0.128 0.000 0.982 99 V HN 1.022 nan 8.190 nan 0.000 0.452 100 V N 1.836 121.800 119.914 0.083 0.000 3.102 100 V HA 0.668 4.794 4.120 0.009 0.000 0.312 100 V C -0.566 175.561 176.094 0.056 0.000 1.135 100 V CA -1.309 61.012 62.300 0.035 0.000 1.022 100 V CB 2.010 33.754 31.823 -0.132 0.000 1.056 100 V HN 0.733 nan 8.190 nan 0.000 0.436 101 K N 1.252 121.637 120.400 -0.024 0.000 2.218 101 K HA 0.375 4.701 4.320 0.009 0.000 0.276 101 K C -0.212 176.292 176.600 -0.160 0.000 1.022 101 K CA -0.537 55.651 56.287 -0.164 0.000 0.946 101 K CB 1.249 33.633 32.500 -0.193 0.000 1.000 101 K HN 0.730 nan 8.250 nan 0.000 0.468 102 K N 0.474 120.766 120.400 -0.179 0.000 2.489 102 K HA -0.061 4.265 4.320 0.009 0.000 0.278 102 K C 0.804 177.336 176.600 -0.113 0.000 1.000 102 K CA 1.360 57.569 56.287 -0.129 0.000 1.012 102 K CB 0.200 32.634 32.500 -0.110 0.000 0.903 102 K HN 0.802 nan 8.250 nan 0.000 0.485 103 G N 1.613 110.357 108.800 -0.093 0.000 2.176 103 G HA2 -0.329 3.636 3.960 0.009 0.000 0.253 103 G HA3 -0.329 3.636 3.960 0.009 0.000 0.253 103 G C 0.746 175.619 174.900 -0.046 0.000 0.979 103 G CA 0.722 45.784 45.100 -0.063 0.000 0.641 103 G HN 0.742 nan 8.290 nan 0.000 0.530 104 S N 0.425 116.083 115.700 -0.070 0.000 2.481 104 S HA 0.037 4.513 4.470 0.009 0.000 0.231 104 S C 1.050 175.676 174.600 0.043 0.000 0.996 104 S CA 1.196 59.401 58.200 0.008 0.000 0.942 104 S CB -0.195 63.019 63.200 0.022 0.000 0.768 104 S HN 2.128 nan 8.310 nan 0.000 0.520 105 N N 0.932 119.583 118.700 -0.082 0.000 2.641 105 N HA -0.195 4.550 4.740 0.009 0.000 0.267 105 N C -0.646 174.933 175.510 0.114 0.000 1.087 105 N CA 1.024 54.063 53.050 -0.019 0.000 0.731 105 N CB -2.295 36.204 38.487 0.021 0.000 0.886 105 N HN 0.764 nan 8.380 nan 0.000 0.547 106 F N -1.563 118.405 119.950 0.030 0.000 2.668 106 F HA 0.731 5.263 4.527 0.007 0.000 0.309 106 F C -0.533 175.310 175.800 0.070 0.000 1.117 106 F CA -1.159 56.865 58.000 0.039 0.000 0.951 106 F CB 0.996 40.014 39.000 0.031 0.000 1.323 106 F HN 0.015 nan 8.300 nan 0.000 0.451 107 Q N 1.187 121.155 119.800 0.281 0.000 2.418 107 Q HA 0.091 4.437 4.340 0.009 0.000 0.276 107 Q C 0.660 176.895 176.000 0.393 0.000 1.081 107 Q CA -0.668 55.278 55.803 0.238 0.000 0.864 107 Q CB 1.648 30.493 28.738 0.178 0.000 1.384 107 Q HN 1.097 nan 8.270 nan 0.000 0.467 108 W N 2.328 123.737 121.300 0.183 0.000 2.325 108 W HA -0.257 4.405 4.660 0.004 0.000 0.299 108 W C 1.034 177.679 176.519 0.210 0.000 1.215 108 W CA 2.336 59.809 57.345 0.213 0.000 1.244 108 W CB 0.140 29.686 29.460 0.143 0.000 1.140 108 W HN 0.890 nan 8.180 nan 0.000 0.523 109 N N 0.005 118.812 118.700 0.179 0.000 2.521 109 N HA -0.131 4.615 4.740 0.009 0.000 0.188 109 N C 0.893 176.421 175.510 0.030 0.000 1.146 109 N CA 0.417 53.499 53.050 0.055 0.000 0.893 109 N CB -0.338 38.220 38.487 0.117 0.000 0.975 109 N HN 0.237 nan 8.380 nan 0.000 0.451 110 Q N 0.320 120.167 119.800 0.078 0.000 2.241 110 Q HA 0.286 4.631 4.340 0.009 0.000 0.296 110 Q C 0.721 176.685 176.000 -0.060 0.000 0.889 110 Q CA -0.236 55.588 55.803 0.036 0.000 1.089 110 Q CB 0.588 29.397 28.738 0.119 0.000 1.195 110 Q HN 0.408 nan 8.270 nan 0.000 0.451 111 L N -0.081 121.093 121.223 -0.083 0.000 2.313 111 L HA -0.007 4.338 4.340 0.009 0.000 0.214 111 L C 1.176 177.795 176.870 -0.418 0.000 1.119 111 L CA 0.462 55.234 54.840 -0.113 0.000 0.809 111 L CB 0.115 42.241 42.059 0.111 0.000 0.933 111 L HN 0.436 nan 8.230 nan 0.000 0.449 112 Q N 0.243 119.610 119.800 -0.721 0.000 2.304 112 Q HA -0.018 4.328 4.340 0.009 0.000 0.315 112 Q C 1.208 176.836 176.000 -0.619 0.000 1.075 112 Q CA 0.978 56.089 55.803 -1.154 0.000 0.988 112 Q CB 0.361 28.630 28.738 -0.782 0.000 1.146 112 Q HN 0.416 nan 8.270 nan 0.000 0.383 113 G N 2.806 111.274 108.800 -0.553 0.000 2.189 113 G HA2 -0.259 3.707 3.960 0.009 0.000 0.267 113 G HA3 -0.259 3.707 3.960 0.009 0.000 0.267 113 G C -0.013 174.788 174.900 -0.165 0.000 0.975 113 G CA 0.443 45.383 45.100 -0.267 0.000 0.644 113 G HN 0.502 nan 8.290 nan 0.000 0.537 114 K N 0.125 120.433 120.400 -0.154 0.000 2.118 114 K HA 0.493 4.819 4.320 0.009 0.000 0.240 114 K C 0.841 177.484 176.600 0.071 0.000 1.035 114 K CA -0.437 55.776 56.287 -0.124 0.000 0.899 114 K CB 0.453 32.761 32.500 -0.321 0.000 1.085 114 K HN 0.382 nan 8.250 nan 0.000 0.498 115 R N 0.451 120.940 120.500 -0.018 0.000 2.346 115 R HA 0.250 4.596 4.340 0.009 0.000 0.311 115 R C -0.226 175.995 176.300 -0.130 0.000 0.983 115 R CA -0.413 55.678 56.100 -0.016 0.000 0.880 115 R CB 1.149 31.446 30.300 -0.005 0.000 1.100 115 R HN 0.664 nan 8.270 nan 0.000 0.453 116 S N 1.000 116.562 115.700 -0.230 0.000 2.503 116 S HA 0.489 4.965 4.470 0.009 0.000 0.301 116 S C -0.343 174.199 174.600 -0.096 0.000 1.087 116 S CA -0.879 57.107 58.200 -0.356 0.000 1.042 116 S CB 1.343 64.059 63.200 -0.806 0.000 1.043 116 S HN 0.569 nan 8.310 nan 0.000 0.489 117 c N 4.048 122.538 118.600 -0.183 0.000 2.298 117 c HA 0.621 5.197 4.570 0.009 0.000 0.323 117 c C 0.022 174.094 174.090 -0.031 0.000 1.284 117 c CA -0.562 55.739 56.329 -0.047 0.000 1.577 117 c CB -0.810 41.621 42.510 -0.132 0.000 2.249 117 c HN 0.884 nan 8.230 nan 0.000 0.497 118 H N 1.169 120.334 119.070 0.158 0.000 2.622 118 H HA 0.237 4.798 4.556 0.008 0.000 0.363 118 H C 0.993 176.390 175.328 0.115 0.000 1.151 118 H CA -0.037 56.151 56.048 0.233 0.000 1.184 118 H CB 2.083 32.029 29.762 0.305 0.000 1.643 118 H HN 0.711 nan 8.280 nan 0.000 0.531 119 T N 0.272 114.926 114.554 0.167 0.000 2.788 119 T HA 0.066 4.421 4.350 0.009 0.000 0.268 119 T C 0.986 175.610 174.700 -0.126 0.000 1.044 119 T CA 0.830 62.877 62.100 -0.088 0.000 1.139 119 T CB 0.093 68.788 68.868 -0.287 0.000 0.867 119 T HN 0.816 nan 8.240 nan 0.000 0.454 120 G N 0.264 109.069 108.800 0.007 0.000 2.376 120 G HA2 0.403 4.368 3.960 0.009 0.000 0.302 120 G HA3 0.403 4.368 3.960 0.009 0.000 0.302 120 G C -1.587 173.259 174.900 -0.091 0.000 1.586 120 G CA -0.797 44.297 45.100 -0.009 0.000 0.907 120 G HN 0.473 nan 8.290 nan 0.000 0.655 121 L N 1.637 122.712 121.223 -0.247 0.000 2.559 121 L HA 0.462 4.808 4.340 0.009 0.000 0.274 121 L C 1.578 178.242 176.870 -0.342 0.000 1.205 121 L CA 2.576 57.054 54.840 -0.603 0.000 0.907 121 L CB 0.661 42.378 42.059 -0.570 0.000 1.153 121 L HN 2.342 nan 8.230 nan 0.000 0.490 122 G N 3.253 111.860 108.800 -0.321 0.000 2.176 122 G HA2 -0.257 3.708 3.960 0.009 0.000 0.253 122 G HA3 -0.257 3.708 3.960 0.009 0.000 0.253 122 G C 0.560 175.524 174.900 0.106 0.000 0.979 122 G CA 0.241 45.361 45.100 0.034 0.000 0.641 122 G HN 0.642 nan 8.290 nan 0.000 0.530 123 R N 0.624 121.192 120.500 0.112 0.000 2.459 123 R HA 0.614 4.959 4.340 0.009 0.000 0.281 123 R C 1.602 178.042 176.300 0.234 0.000 1.050 123 R CA 0.063 56.228 56.100 0.109 0.000 1.055 123 R CB 0.889 31.192 30.300 0.005 0.000 1.045 123 R HN 0.148 nan 8.270 nan 0.000 0.495 124 S N 1.612 117.465 115.700 0.256 0.000 2.378 124 S HA -0.273 4.202 4.470 0.009 0.000 0.221 124 S C 1.893 176.644 174.600 0.252 0.000 1.037 124 S CA 1.889 60.260 58.200 0.286 0.000 1.069 124 S CB -0.283 63.071 63.200 0.257 0.000 1.006 124 S HN 0.795 nan 8.310 nan 0.000 0.423 125 A N 1.002 124.009 122.820 0.311 0.000 1.968 125 A HA 0.221 4.546 4.320 0.009 0.000 0.217 125 A C 2.281 180.053 177.584 0.313 0.000 1.169 125 A CA 1.490 53.721 52.037 0.322 0.000 0.638 125 A CB -1.178 18.103 19.000 0.468 0.000 0.812 125 A HN 0.537 nan 8.150 nan 0.000 0.446 126 G N -2.375 106.603 108.800 0.297 0.000 2.421 126 G HA2 -0.099 3.866 3.960 0.009 0.000 0.217 126 G HA3 -0.099 3.866 3.960 0.009 0.000 0.217 126 G C 1.313 176.503 174.900 0.484 0.000 1.143 126 G CA 1.035 46.347 45.100 0.353 0.000 0.784 126 G HN 0.641 nan 8.290 nan 0.000 0.541 127 W N -0.735 120.640 121.300 0.125 0.000 5.029 127 W HA 0.138 4.807 4.660 0.015 0.000 0.184 127 W C 1.776 178.319 176.519 0.041 0.000 1.092 127 W CA -0.089 57.308 57.345 0.086 0.000 2.098 127 W CB -0.096 29.394 29.460 0.050 0.000 0.777 127 W HN -0.068 nan 8.180 nan 0.000 1.010 128 I N 1.993 122.664 120.570 0.168 0.000 2.163 128 I HA -0.303 3.872 4.170 0.009 0.000 0.243 128 I C 2.279 178.392 176.117 -0.008 0.000 1.085 128 I CA 1.393 62.722 61.300 0.048 0.000 1.347 128 I CB -1.357 36.736 38.000 0.155 0.000 1.044 128 I HN -0.005 nan 8.210 nan 0.000 0.408 129 I N 1.407 122.014 120.570 0.061 0.000 2.162 129 I HA -0.121 4.055 4.170 0.009 0.000 0.238 129 I C -0.036 176.078 176.117 -0.006 0.000 1.076 129 I CA 1.561 62.891 61.300 0.051 0.000 1.353 129 I CB -2.826 35.224 38.000 0.083 0.000 1.063 129 I HN 0.126 nan 8.210 nan 0.000 0.408 130 P HA -0.148 nan 4.420 nan 0.000 0.215 130 P C 1.873 179.058 177.300 -0.191 0.000 1.153 130 P CA 1.544 64.548 63.100 -0.160 0.000 0.853 130 P CB -0.152 31.048 31.700 -0.834 0.000 0.788 131 M N -0.847 118.551 119.600 -0.337 0.000 2.254 131 M HA 0.050 4.536 4.480 0.009 0.000 0.265 131 M C 2.342 178.527 176.300 -0.192 0.000 1.066 131 M CA 1.466 56.533 55.300 -0.390 0.000 1.123 131 M CB -2.264 29.883 32.600 -0.755 0.000 1.388 131 M HN -0.023 nan 8.290 nan 0.000 0.425 132 G N 0.366 109.082 108.800 -0.140 0.000 2.418 132 G HA2 -0.158 3.807 3.960 0.009 0.000 0.217 132 G HA3 -0.158 3.807 3.960 0.009 0.000 0.217 132 G C 1.489 176.389 174.900 0.000 0.000 1.158 132 G CA 0.440 45.494 45.100 -0.077 0.000 0.771 132 G HN 0.288 nan 8.290 nan 0.000 0.545 133 L N 0.189 121.440 121.223 0.046 0.000 2.141 133 L HA 0.197 4.543 4.340 0.009 0.000 0.209 133 L C 2.653 179.590 176.870 0.112 0.000 1.094 133 L CA 1.011 55.937 54.840 0.144 0.000 0.763 133 L CB -0.730 41.519 42.059 0.318 0.000 0.908 133 L HN 0.210 nan 8.230 nan 0.000 0.437 134 L N -2.960 118.247 121.223 -0.027 0.000 2.567 134 L HA -0.098 4.248 4.340 0.009 0.000 0.225 134 L C 2.215 178.934 176.870 -0.252 0.000 1.119 134 L CA -0.014 54.690 54.840 -0.227 0.000 0.871 134 L CB -0.498 41.280 42.059 -0.469 0.000 1.036 134 L HN 0.157 nan 8.230 nan 0.000 0.459 135 Y N 2.606 122.762 120.300 -0.241 0.000 2.102 135 Y HA -0.398 4.156 4.550 0.007 0.000 0.280 135 Y C 2.270 178.054 175.900 -0.193 0.000 1.178 135 Y CA 2.322 60.288 58.100 -0.223 0.000 1.146 135 Y CB -0.136 38.233 38.460 -0.152 0.000 0.968 135 Y HN 0.528 nan 8.280 nan 0.000 0.504 136 D N -0.842 119.541 120.400 -0.029 0.000 2.309 136 D HA -0.195 4.451 4.640 0.009 0.000 0.212 136 D C 1.377 177.584 176.300 -0.155 0.000 0.968 136 D CA 1.597 55.554 54.000 -0.071 0.000 0.882 136 D CB -0.701 40.115 40.800 0.026 0.000 0.918 136 D HN 0.596 nan 8.370 nan 0.000 0.503 137 Q N -0.285 119.384 119.800 -0.219 0.000 2.356 137 Q HA 0.250 4.596 4.340 0.009 0.000 0.205 137 Q C 0.361 176.197 176.000 -0.273 0.000 0.901 137 Q CA -0.220 55.468 55.803 -0.192 0.000 0.938 137 Q CB 0.597 29.244 28.738 -0.151 0.000 1.081 137 Q HN 0.331 nan 8.270 nan 0.000 0.517 138 L N 3.589 124.545 121.223 -0.445 0.000 2.456 138 L HA 0.173 4.518 4.340 0.009 0.000 0.272 138 L C -1.963 174.778 176.870 -0.216 0.000 1.189 138 L CA -1.811 52.789 54.840 -0.400 0.000 0.846 138 L CB -0.177 41.584 42.059 -0.497 0.000 1.111 138 L HN -0.081 nan 8.230 nan 0.000 0.475 139 P HA 0.104 nan 4.420 nan 0.000 0.271 139 P C -0.685 176.560 177.300 -0.092 0.000 1.216 139 P CA -0.228 62.834 63.100 -0.063 0.000 0.771 139 P CB 0.683 32.377 31.700 -0.010 0.000 0.864 140 E N 3.420 123.571 120.200 -0.082 0.000 2.374 140 E HA 0.222 4.578 4.350 0.009 0.000 0.260 140 E C -1.657 174.923 176.600 -0.033 0.000 1.101 140 E CA -1.439 54.917 56.400 -0.073 0.000 0.907 140 E CB -0.056 29.608 29.700 -0.060 0.000 1.014 140 E HN 0.472 nan 8.360 nan 0.000 0.427 141 P HA 0.172 nan 4.420 nan 0.000 0.284 141 P C -0.663 176.615 177.300 -0.037 0.000 1.253 141 P CA -0.279 62.808 63.100 -0.021 0.000 0.800 141 P CB 0.824 32.529 31.700 0.009 0.000 0.961 142 R N 1.411 121.870 120.500 -0.069 0.000 2.391 142 R HA 0.120 4.466 4.340 0.009 0.000 0.249 142 R C 0.454 176.767 176.300 0.021 0.000 0.957 142 R CA 0.016 56.056 56.100 -0.101 0.000 1.093 142 R CB -0.241 29.867 30.300 -0.321 0.000 1.156 142 R HN 0.508 nan 8.270 nan 0.000 0.526 143 K N 0.751 121.180 120.400 0.049 0.000 2.463 143 K HA 0.430 4.755 4.320 0.009 0.000 0.255 143 K C -2.699 173.957 176.600 0.093 0.000 0.942 143 K CA -1.902 54.434 56.287 0.082 0.000 0.814 143 K CB 1.890 34.438 32.500 0.080 0.000 1.122 143 K HN -0.240 nan 8.250 nan 0.000 0.425 144 P HA 0.114 nan 4.420 nan 0.000 0.274 144 P C 0.604 177.953 177.300 0.081 0.000 1.246 144 P CA -0.662 62.507 63.100 0.114 0.000 0.795 144 P CB 0.987 32.778 31.700 0.151 0.000 1.006 145 I N 0.730 121.353 120.570 0.088 0.000 2.286 145 I HA -0.277 3.899 4.170 0.009 0.000 0.248 145 I C 2.034 178.176 176.117 0.042 0.000 1.115 145 I CA 1.675 63.022 61.300 0.078 0.000 1.392 145 I CB -0.218 37.863 38.000 0.135 0.000 1.065 145 I HN 0.358 nan 8.210 nan 0.000 0.418 146 E N 0.447 120.614 120.200 -0.055 0.000 2.097 146 E HA -0.321 4.035 4.350 0.009 0.000 0.196 146 E C 2.157 178.629 176.600 -0.213 0.000 1.000 146 E CA 1.713 57.923 56.400 -0.318 0.000 0.804 146 E CB -0.237 28.677 29.700 -1.309 0.000 0.740 146 E HN 0.420 nan 8.360 nan 0.000 0.454 147 K N 0.024 120.402 120.400 -0.036 0.000 2.057 147 K HA -0.092 4.234 4.320 0.009 0.000 0.206 147 K C 2.082 178.749 176.600 0.112 0.000 1.050 147 K CA 1.153 57.562 56.287 0.203 0.000 0.935 147 K CB -0.112 32.559 32.500 0.285 0.000 0.715 147 K HN 0.150 nan 8.250 nan 0.000 0.439 148 A N 0.529 123.376 122.820 0.045 0.000 1.902 148 A HA -0.099 4.227 4.320 0.009 0.000 0.217 148 A C 2.192 179.783 177.584 0.011 0.000 1.181 148 A CA 1.542 53.576 52.037 -0.006 0.000 0.623 148 A CB -0.572 18.371 19.000 -0.095 0.000 0.818 148 A HN 0.168 nan 8.150 nan 0.000 0.443 149 V N -0.155 119.777 119.914 0.029 0.000 2.407 149 V HA -0.216 3.909 4.120 0.009 0.000 0.248 149 V C 2.948 179.189 176.094 0.245 0.000 1.055 149 V CA 1.780 64.151 62.300 0.119 0.000 1.049 149 V CB -1.127 30.808 31.823 0.187 0.000 0.662 149 V HN 0.596 nan 8.190 nan 0.000 0.455 150 A N -0.448 122.492 122.820 0.200 0.000 2.121 150 A HA -0.114 4.212 4.320 0.009 0.000 0.218 150 A C 2.306 180.000 177.584 0.183 0.000 1.154 150 A CA 1.787 53.958 52.037 0.224 0.000 0.679 150 A CB -0.335 18.806 19.000 0.235 0.000 0.795 150 A HN 0.533 nan 8.150 nan 0.000 0.458 151 S N -1.885 113.902 115.700 0.145 0.000 2.524 151 S HA 0.156 4.631 4.470 0.009 0.000 0.216 151 S C 1.253 175.901 174.600 0.081 0.000 0.987 151 S CA 0.251 58.509 58.200 0.098 0.000 0.909 151 S CB -0.244 62.998 63.200 0.071 0.000 0.781 151 S HN 0.640 nan 8.310 nan 0.000 0.521 152 F N 1.433 121.321 119.950 -0.103 0.000 2.243 152 F HA 0.409 4.942 4.527 0.011 0.000 0.287 152 F C 0.228 175.858 175.800 -0.284 0.000 1.067 152 F CA -0.049 57.792 58.000 -0.265 0.000 1.304 152 F CB 0.073 38.809 39.000 -0.441 0.000 1.087 152 F HN 0.003 nan 8.300 nan 0.000 0.513 153 F N 0.762 120.797 119.950 0.142 0.000 2.382 153 F HA 0.160 4.693 4.527 0.009 0.000 0.331 153 F C 1.906 177.706 175.800 -0.001 0.000 1.121 153 F CA 0.037 58.052 58.000 0.025 0.000 1.183 153 F CB 1.073 40.189 39.000 0.195 0.000 1.207 153 F HN -0.023 nan 8.300 nan 0.000 0.555 154 S N 0.039 115.839 115.700 0.166 0.000 2.387 154 S HA -0.002 4.474 4.470 0.009 0.000 0.226 154 S C 0.420 175.094 174.600 0.123 0.000 1.026 154 S CA 0.672 58.924 58.200 0.087 0.000 0.972 154 S CB -0.396 62.822 63.200 0.029 0.000 0.814 154 S HN 0.667 nan 8.310 nan 0.000 0.477 155 S N -1.365 114.427 115.700 0.152 0.000 2.611 155 S HA 0.786 5.261 4.470 0.009 0.000 0.268 155 S C -0.974 173.715 174.600 0.149 0.000 1.156 155 S CA -0.734 57.554 58.200 0.146 0.000 0.817 155 S CB 1.638 64.900 63.200 0.104 0.000 1.122 155 S HN 0.274 nan 8.310 nan 0.000 0.466 156 S N -0.631 115.160 115.700 0.152 0.000 2.752 156 S HA 0.747 5.223 4.470 0.009 0.000 0.284 156 S C -1.633 173.068 174.600 0.168 0.000 1.189 156 S CA -0.653 57.639 58.200 0.153 0.000 0.835 156 S CB 1.364 64.683 63.200 0.199 0.000 1.192 156 S HN 1.332 nan 8.310 nan 0.000 0.506 157 c N 2.435 121.160 118.600 0.208 0.000 2.356 157 c HA 0.768 5.343 4.570 0.009 0.000 0.324 157 c C -1.165 173.067 174.090 0.236 0.000 1.167 157 c CA -0.150 56.310 56.329 0.218 0.000 1.420 157 c CB -1.018 41.657 42.510 0.274 0.000 2.036 157 c HN 0.583 nan 8.230 nan 0.000 0.435 158 V N 8.472 128.465 119.914 0.131 0.000 2.276 158 V HA 0.329 4.455 4.120 0.009 0.000 0.268 158 V C -2.181 173.929 176.094 0.027 0.000 1.032 158 V CA -1.318 60.994 62.300 0.020 0.000 0.810 158 V CB 0.952 32.651 31.823 -0.207 0.000 1.060 158 V HN 0.713 nan 8.190 nan 0.000 0.446 159 P HA 0.147 nan 4.420 nan 0.000 0.265 159 P C 0.691 178.049 177.300 0.097 0.000 1.187 159 P CA 0.366 63.562 63.100 0.161 0.000 0.766 159 P CB 0.368 32.270 31.700 0.336 0.000 0.820 160 c N 0.590 119.238 118.600 0.080 0.000 5.766 160 c HA -0.134 4.442 4.570 0.009 0.000 0.260 160 c C 1.239 175.325 174.090 -0.006 0.000 1.803 160 c CA 0.220 56.580 56.329 0.051 0.000 1.580 160 c CB -2.503 40.065 42.510 0.098 0.000 2.585 160 c HN 0.803 nan 8.230 nan 0.000 0.541 161 A N 1.081 123.875 122.820 -0.043 0.000 2.425 161 A HA 0.441 4.767 4.320 0.009 0.000 0.242 161 A C 0.232 177.860 177.584 0.074 0.000 1.077 161 A CA 1.001 53.017 52.037 -0.036 0.000 0.781 161 A CB 0.155 19.110 19.000 -0.074 0.000 1.020 161 A HN 0.557 nan 8.150 nan 0.000 0.494 162 D N 1.811 122.311 120.400 0.166 0.000 2.346 162 D HA 0.187 4.833 4.640 0.009 0.000 0.260 162 D C -1.489 174.903 176.300 0.154 0.000 1.252 162 D CA -1.804 52.291 54.000 0.158 0.000 0.895 162 D CB 0.960 41.877 40.800 0.193 0.000 1.097 162 D HN 0.177 nan 8.370 nan 0.000 0.489 163 P HA -0.068 nan 4.420 nan 0.000 0.233 163 P C 1.307 178.627 177.300 0.034 0.000 1.167 163 P CA 0.154 63.298 63.100 0.074 0.000 0.770 163 P CB 0.583 32.314 31.700 0.052 0.000 0.837 164 V N 0.810 120.724 119.914 0.000 0.000 2.331 164 V HA -0.097 4.028 4.120 0.009 0.000 0.242 164 V C 2.292 178.312 176.094 -0.123 0.000 1.034 164 V CA 1.746 64.020 62.300 -0.044 0.000 1.027 164 V CB -1.115 30.683 31.823 -0.043 0.000 0.667 164 V HN 0.094 nan 8.190 nan 0.000 0.457 165 N N -0.241 118.317 118.700 -0.238 0.000 2.300 165 N HA 0.002 4.748 4.740 0.009 0.000 0.179 165 N C 0.272 175.291 175.510 -0.818 0.000 1.016 165 N CA 0.972 53.669 53.050 -0.589 0.000 0.876 165 N CB 0.011 38.005 38.487 -0.823 0.000 0.979 165 N HN 0.487 nan 8.380 nan 0.000 0.432 166 F N 0.112 120.082 119.950 0.032 0.000 2.550 166 F HA 0.386 4.920 4.527 0.011 0.000 0.348 166 F C -1.762 174.066 175.800 0.047 0.000 1.219 166 F CA -1.884 56.143 58.000 0.045 0.000 1.203 166 F CB 1.855 40.886 39.000 0.052 0.000 1.436 166 F HN -0.161 nan 8.300 nan 0.000 0.541 167 P HA -0.154 nan 4.420 nan 0.000 0.218 167 P C 1.454 178.832 177.300 0.130 0.000 1.149 167 P CA 1.329 64.495 63.100 0.110 0.000 0.817 167 P CB 0.287 32.026 31.700 0.066 0.000 0.785 168 K N -0.359 120.132 120.400 0.153 0.000 2.147 168 K HA -0.033 4.293 4.320 0.009 0.000 0.205 168 K C 1.952 178.650 176.600 0.164 0.000 1.049 168 K CA 0.969 57.346 56.287 0.150 0.000 0.936 168 K CB -0.606 31.990 32.500 0.159 0.000 0.722 168 K HN 0.264 nan 8.250 nan 0.000 0.446 169 L N -0.049 121.282 121.223 0.181 0.000 2.376 169 L HA -0.133 4.213 4.340 0.009 0.000 0.219 169 L C 1.740 178.683 176.870 0.122 0.000 1.133 169 L CA 0.467 55.393 54.840 0.144 0.000 0.816 169 L CB -0.110 42.008 42.059 0.098 0.000 0.933 169 L HN 0.196 nan 8.230 nan 0.000 0.449 170 c N -1.545 117.130 118.600 0.125 0.000 3.183 170 c HA 0.055 4.630 4.570 0.009 0.000 0.285 170 c C 2.401 176.556 174.090 0.108 0.000 1.313 170 c CA -0.470 55.926 56.329 0.111 0.000 1.711 170 c CB 0.019 42.586 42.510 0.095 0.000 2.135 170 c HN 0.492 nan 8.230 nan 0.000 0.651 171 Q N 0.777 120.644 119.800 0.111 0.000 2.119 171 Q HA -0.165 4.181 4.340 0.009 0.000 0.201 171 Q C 1.727 177.791 176.000 0.105 0.000 0.972 171 Q CA 1.361 57.223 55.803 0.098 0.000 0.847 171 Q CB 0.111 28.906 28.738 0.094 0.000 0.903 171 Q HN 0.576 nan 8.270 nan 0.000 0.433 172 Q N -0.634 119.246 119.800 0.132 0.000 2.403 172 Q HA 0.072 4.418 4.340 0.009 0.000 0.203 172 Q C 0.441 176.581 176.000 0.233 0.000 0.932 172 Q CA 0.025 55.924 55.803 0.160 0.000 0.945 172 Q CB 0.063 28.891 28.738 0.150 0.000 1.045 172 Q HN 0.328 nan 8.270 nan 0.000 0.511 173 c N 0.273 118.985 118.600 0.186 0.000 2.649 173 c HA 0.438 5.013 4.570 0.009 0.000 0.377 173 c C 1.651 175.733 174.090 -0.012 0.000 1.321 173 c CA 0.029 56.462 56.329 0.174 0.000 2.368 173 c CB 0.644 43.233 42.510 0.132 0.000 2.597 173 c HN 0.491 nan 8.230 nan 0.000 0.678 174 A N 0.797 123.462 122.820 -0.257 0.000 2.431 174 A HA 0.474 4.800 4.320 0.009 0.000 0.239 174 A C 0.956 178.426 177.584 -0.190 0.000 1.230 174 A CA 0.415 52.251 52.037 -0.336 0.000 0.928 174 A CB -0.400 18.114 19.000 -0.810 0.000 1.006 174 A HN 1.036 nan 8.150 nan 0.000 0.520 175 G N 0.290 109.026 108.800 -0.107 0.000 2.527 175 G HA2 0.424 4.389 3.960 0.009 0.000 0.248 175 G HA3 0.424 4.389 3.960 0.009 0.000 0.248 175 G C -0.292 174.589 174.900 -0.032 0.000 1.231 175 G CA -0.334 44.736 45.100 -0.050 0.000 0.838 175 G HN 0.369 nan 8.290 nan 0.000 0.570 176 K N 1.011 121.396 120.400 -0.024 0.000 2.172 176 K HA 0.552 4.878 4.320 0.009 0.000 0.276 176 K C 1.153 177.747 176.600 -0.009 0.000 1.013 176 K CA 0.543 56.819 56.287 -0.019 0.000 0.913 176 K CB 1.418 33.904 32.500 -0.023 0.000 1.055 176 K HN 0.906 nan 8.250 nan 0.000 0.461 177 G N 2.076 110.872 108.800 -0.006 0.000 2.634 177 G HA2 -0.436 3.530 3.960 0.009 0.000 0.309 177 G HA3 -0.436 3.530 3.960 0.009 0.000 0.309 177 G C 0.983 175.885 174.900 0.002 0.000 1.265 177 G CA 0.408 45.507 45.100 -0.002 0.000 0.998 177 G HN 0.714 nan 8.290 nan 0.000 0.551 178 A N -0.699 122.123 122.820 0.003 0.000 2.186 178 A HA 0.130 4.455 4.320 0.009 0.000 0.219 178 A C 1.961 179.553 177.584 0.013 0.000 1.159 178 A CA 2.317 54.358 52.037 0.007 0.000 0.680 178 A CB -0.283 18.721 19.000 0.005 0.000 0.787 178 A HN 0.585 nan 8.150 nan 0.000 0.467 179 E N -0.174 120.036 120.200 0.017 0.000 2.479 179 E HA 0.014 4.369 4.350 0.009 0.000 0.193 179 E C 0.462 177.075 176.600 0.022 0.000 1.049 179 E CA 0.008 56.427 56.400 0.030 0.000 0.870 179 E CB -0.104 29.623 29.700 0.046 0.000 0.944 179 E HN 0.654 nan 8.360 nan 0.000 0.492 180 K N 0.506 120.915 120.400 0.015 0.000 2.447 180 K HA -0.029 4.297 4.320 0.009 0.000 0.281 180 K C 0.326 176.947 176.600 0.034 0.000 1.031 180 K CA 0.206 56.504 56.287 0.018 0.000 1.019 180 K CB 0.388 32.897 32.500 0.016 0.000 0.918 180 K HN 0.100 nan 8.250 nan 0.000 0.476 181 c N 2.537 121.167 118.600 0.050 0.000 4.497 181 c HA -0.210 4.366 4.570 0.009 0.000 0.268 181 c C 0.738 174.862 174.090 0.057 0.000 1.343 181 c CA 0.278 56.650 56.329 0.071 0.000 1.742 181 c CB -2.349 40.200 42.510 0.066 0.000 1.450 181 c HN 0.995 nan 8.230 nan 0.000 0.733 182 A N -0.438 122.400 122.820 0.029 0.000 2.507 182 A HA 0.312 4.638 4.320 0.009 0.000 0.235 182 A C 0.838 178.389 177.584 -0.055 0.000 1.070 182 A CA 0.943 52.966 52.037 -0.024 0.000 0.768 182 A CB 0.106 19.077 19.000 -0.049 0.000 1.011 182 A HN 1.404 nan 8.150 nan 0.000 0.502 183 c N 2.946 121.481 118.600 -0.109 0.000 3.089 183 c HA 0.569 5.144 4.570 0.009 0.000 0.548 183 c C 0.866 174.593 174.090 -0.605 0.000 1.205 183 c CA 0.659 56.910 56.329 -0.131 0.000 1.398 183 c CB -3.102 39.418 42.510 0.017 0.000 1.764 183 c HN 1.207 nan 8.230 nan 0.000 0.638 184 S N 0.720 115.739 115.700 -1.136 0.000 2.656 184 S HA 0.227 4.703 4.470 0.009 0.000 0.265 184 S C 0.296 174.287 174.600 -1.015 0.000 1.110 184 S CA -0.618 56.754 58.200 -1.380 0.000 0.821 184 S CB 0.217 62.978 63.200 -0.731 0.000 1.099 184 S HN 0.421 nan 8.310 nan 0.000 0.471 185 N N 0.520 118.921 118.700 -0.499 0.000 2.585 185 N HA -0.108 4.638 4.740 0.009 0.000 0.188 185 N C 1.155 176.743 175.510 0.131 0.000 1.102 185 N CA 1.239 54.309 53.050 0.033 0.000 0.920 185 N CB -0.561 38.013 38.487 0.144 0.000 0.963 185 N HN 0.674 nan 8.380 nan 0.000 0.447 186 H N 0.095 119.111 119.070 -0.090 0.000 2.491 186 H HA -0.015 4.547 4.556 0.010 0.000 0.290 186 H C 0.490 175.801 175.328 -0.027 0.000 1.050 186 H CA 0.107 56.127 56.048 -0.047 0.000 1.309 186 H CB 0.265 29.990 29.762 -0.062 0.000 1.392 186 H HN 0.161 nan 8.280 nan 0.000 0.554 187 E N 1.715 121.970 120.200 0.092 0.000 2.130 187 E HA 0.086 4.441 4.350 0.009 0.000 0.284 187 E C -2.042 174.641 176.600 0.139 0.000 1.018 187 E CA -2.627 53.825 56.400 0.087 0.000 0.817 187 E CB 1.238 31.005 29.700 0.112 0.000 1.078 187 E HN -0.018 nan 8.360 nan 0.000 0.396 188 P HA -0.131 nan 4.420 nan 0.000 0.219 188 P C -0.105 177.362 177.300 0.279 0.000 1.146 188 P CA 1.035 64.187 63.100 0.086 0.000 0.808 188 P CB 0.081 31.725 31.700 -0.094 0.000 0.779 189 Y N -2.502 117.892 120.300 0.158 0.000 2.493 189 Y HA 0.263 4.820 4.550 0.010 0.000 0.275 189 Y C 0.757 176.766 175.900 0.181 0.000 1.183 189 Y CA -1.951 56.236 58.100 0.145 0.000 1.258 189 Y CB -1.473 37.054 38.460 0.112 0.000 1.108 189 Y HN -0.078 nan 8.280 nan 0.000 0.521 190 F N 1.170 121.240 119.950 0.201 0.000 2.471 190 F HA 0.490 5.024 4.527 0.011 0.000 0.353 190 F C 0.958 176.824 175.800 0.110 0.000 1.113 190 F CA 0.782 58.859 58.000 0.129 0.000 1.262 190 F CB 0.323 39.378 39.000 0.091 0.000 1.146 190 F HN 0.301 nan 8.300 nan 0.000 0.578 191 G N 4.611 112.909 108.800 -0.837 0.000 2.760 191 G HA2 -0.328 3.638 3.960 0.009 0.000 0.246 191 G HA3 -0.328 3.638 3.960 0.009 0.000 0.246 191 G C -0.169 174.556 174.900 -0.293 0.000 1.359 191 G CA -0.059 44.579 45.100 -0.771 0.000 0.861 191 G HN 0.793 nan 8.290 nan 0.000 0.541 192 Y N 0.167 120.389 120.300 -0.130 0.000 2.114 192 Y HA 0.079 4.634 4.550 0.008 0.000 0.284 192 Y C 3.374 179.272 175.900 -0.002 0.000 1.143 192 Y CA 3.058 61.123 58.100 -0.060 0.000 1.135 192 Y CB -1.028 37.366 38.460 -0.111 0.000 0.980 192 Y HN 0.863 nan 8.280 nan 0.000 0.499 193 A N 0.307 123.234 122.820 0.178 0.000 1.877 193 A HA -0.122 4.204 4.320 0.009 0.000 0.216 193 A C 2.603 180.310 177.584 0.204 0.000 1.186 193 A CA 1.907 54.045 52.037 0.169 0.000 0.620 193 A CB -1.560 17.526 19.000 0.142 0.000 0.822 193 A HN 0.487 nan 8.150 nan 0.000 0.443 194 G N -0.527 108.379 108.800 0.177 0.000 2.421 194 G HA2 -0.017 3.949 3.960 0.009 0.000 0.216 194 G HA3 -0.017 3.949 3.960 0.009 0.000 0.216 194 G C 1.773 176.750 174.900 0.128 0.000 1.171 194 G CA 1.563 46.800 45.100 0.229 0.000 0.775 194 G HN 0.844 nan 8.290 nan 0.000 0.543 195 A N 0.264 123.137 122.820 0.088 0.000 1.933 195 A HA 0.034 4.359 4.320 0.009 0.000 0.218 195 A C 2.179 179.753 177.584 -0.016 0.000 1.175 195 A CA 1.659 53.711 52.037 0.025 0.000 0.628 195 A CB -0.523 18.520 19.000 0.071 0.000 0.814 195 A HN 0.477 nan 8.150 nan 0.000 0.444 196 F N 1.166 121.074 119.950 -0.070 0.000 2.259 196 F HA -0.100 4.432 4.527 0.009 0.000 0.298 196 F C 1.883 177.611 175.800 -0.121 0.000 1.088 196 F CA 1.658 59.594 58.000 -0.105 0.000 1.358 196 F CB -0.150 38.784 39.000 -0.111 0.000 1.040 196 F HN 0.182 nan 8.300 nan 0.000 0.505 197 N N -0.016 118.594 118.700 -0.149 0.000 2.216 197 N HA -0.200 4.545 4.740 0.009 0.000 0.183 197 N C 2.259 177.486 175.510 -0.471 0.000 1.017 197 N CA 1.313 54.233 53.050 -0.216 0.000 0.861 197 N CB -1.176 37.372 38.487 0.102 0.000 0.986 197 N HN 0.460 nan 8.380 nan 0.000 0.428 198 c N 0.893 119.003 118.600 -0.816 0.000 2.398 198 c HA -0.089 4.487 4.570 0.009 0.000 0.276 198 c C 2.668 176.448 174.090 -0.516 0.000 1.222 198 c CA 0.641 56.266 56.329 -1.173 0.000 1.746 198 c CB -1.174 40.803 42.510 -0.888 0.000 2.039 198 c HN 0.416 nan 8.230 nan 0.000 0.470 199 L N 1.530 122.521 121.223 -0.386 0.000 2.005 199 L HA -0.052 4.293 4.340 0.009 0.000 0.207 199 L C 2.612 179.348 176.870 -0.224 0.000 1.072 199 L CA 2.517 57.206 54.840 -0.251 0.000 0.744 199 L CB -1.114 40.828 42.059 -0.195 0.000 0.895 199 L HN 0.411 nan 8.230 nan 0.000 0.433 200 K N -0.107 120.062 120.400 -0.384 0.000 2.034 200 K HA -0.259 4.067 4.320 0.009 0.000 0.214 200 K C 1.684 178.216 176.600 -0.114 0.000 1.051 200 K CA 2.348 58.481 56.287 -0.257 0.000 0.931 200 K CB -0.251 31.985 32.500 -0.440 0.000 0.715 200 K HN 0.527 nan 8.250 nan 0.000 0.446 201 E N 0.210 120.344 120.200 -0.110 0.000 2.512 201 E HA -0.097 4.258 4.350 0.009 0.000 0.195 201 E C -0.213 176.380 176.600 -0.011 0.000 1.083 201 E CA 0.266 56.656 56.400 -0.016 0.000 0.873 201 E CB 0.069 29.817 29.700 0.081 0.000 0.897 201 E HN 0.319 nan 8.360 nan 0.000 0.514 202 D N -1.097 119.273 120.400 -0.050 0.000 3.012 202 D HA -0.233 4.413 4.640 0.009 0.000 0.222 202 D C 0.764 177.061 176.300 -0.006 0.000 1.167 202 D CA 0.813 54.798 54.000 -0.025 0.000 0.854 202 D CB -1.127 39.671 40.800 -0.004 0.000 1.107 202 D HN 0.349 nan 8.370 nan 0.000 0.421 203 A N -0.746 122.063 122.820 -0.018 0.000 2.123 203 A HA 0.523 4.848 4.320 0.009 0.000 0.214 203 A C 1.315 178.891 177.584 -0.013 0.000 1.152 203 A CA 1.438 53.492 52.037 0.029 0.000 0.728 203 A CB 0.296 19.373 19.000 0.128 0.000 0.814 203 A HN 0.501 nan 8.150 nan 0.000 0.464 204 G N -1.997 106.763 108.800 -0.067 0.000 2.680 204 G HA2 0.475 4.441 3.960 0.009 0.000 0.290 204 G HA3 0.475 4.441 3.960 0.009 0.000 0.290 204 G C -0.776 174.098 174.900 -0.044 0.000 1.355 204 G CA -0.161 44.900 45.100 -0.065 0.000 0.903 204 G HN -0.041 nan 8.290 nan 0.000 0.474 205 D N -1.049 119.337 120.400 -0.023 0.000 2.417 205 D HA 0.140 4.786 4.640 0.009 0.000 0.207 205 D C 0.290 176.682 176.300 0.153 0.000 1.075 205 D CA 0.466 54.516 54.000 0.082 0.000 0.851 205 D CB 1.930 42.769 40.800 0.065 0.000 0.976 205 D HN 0.214 nan 8.370 nan 0.000 0.505 206 V N 0.202 120.102 119.914 -0.025 0.000 2.932 206 V HA 0.703 4.829 4.120 0.009 0.000 0.307 206 V C -1.829 174.041 176.094 -0.372 0.000 1.147 206 V CA -0.770 61.444 62.300 -0.143 0.000 0.951 206 V CB 2.045 33.771 31.823 -0.162 0.000 1.031 206 V HN 0.039 nan 8.190 nan 0.000 0.426 207 A N 5.738 128.338 122.820 -0.367 0.000 2.330 207 A HA 0.869 5.194 4.320 0.009 0.000 0.313 207 A C -1.305 176.073 177.584 -0.344 0.000 1.124 207 A CA -0.371 51.482 52.037 -0.307 0.000 0.774 207 A CB 0.943 19.896 19.000 -0.079 0.000 1.198 207 A HN 0.757 nan 8.150 nan 0.000 0.465 208 F N 2.988 122.938 119.950 -0.001 0.000 2.335 208 F HA 0.480 5.012 4.527 0.009 0.000 0.365 208 F C 0.713 176.600 175.800 0.146 0.000 1.122 208 F CA -0.153 57.897 58.000 0.084 0.000 1.151 208 F CB 1.181 40.207 39.000 0.044 0.000 1.282 208 F HN 0.542 nan 8.300 nan 0.000 0.513 209 V N 0.215 120.327 119.914 0.330 0.000 3.109 209 V HA 0.677 4.803 4.120 0.009 0.000 0.311 209 V C -0.707 175.569 176.094 0.303 0.000 1.389 209 V CA -1.309 61.196 62.300 0.342 0.000 1.034 209 V CB 1.817 33.779 31.823 0.232 0.000 1.105 209 V HN 0.476 nan 8.190 nan 0.000 0.477 210 K N -0.437 120.048 120.400 0.142 0.000 2.288 210 K HA 0.513 4.838 4.320 0.009 0.000 0.234 210 K C 1.120 177.605 176.600 -0.192 0.000 1.037 210 K CA 0.017 56.295 56.287 -0.014 0.000 0.914 210 K CB 1.010 33.344 32.500 -0.277 0.000 1.197 210 K HN 0.924 nan 8.250 nan 0.000 0.471 211 H N -0.425 118.504 119.070 -0.236 0.000 2.457 211 H HA -0.035 4.527 4.556 0.010 0.000 0.294 211 H C 0.904 175.930 175.328 -0.503 0.000 1.064 211 H CA 1.589 57.356 56.048 -0.468 0.000 1.330 211 H CB -0.007 29.204 29.762 -0.919 0.000 1.395 211 H HN 0.622 nan 8.280 nan 0.000 0.541 212 S N 0.043 115.154 115.700 -0.982 0.000 2.575 212 S HA 0.034 4.510 4.470 0.009 0.000 0.215 212 S C 1.605 175.908 174.600 -0.495 0.000 0.966 212 S CA 0.236 58.038 58.200 -0.663 0.000 0.911 212 S CB -0.037 62.732 63.200 -0.719 0.000 0.780 212 S HN 0.323 nan 8.310 nan 0.000 0.514 213 T N 2.922 117.184 114.554 -0.486 0.000 2.652 213 T HA -0.080 4.275 4.350 0.009 0.000 0.267 213 T C 1.885 176.219 174.700 -0.610 0.000 1.039 213 T CA 1.648 63.476 62.100 -0.453 0.000 1.153 213 T CB -0.605 68.082 68.868 -0.302 0.000 0.863 213 T HN 0.293 nan 8.240 nan 0.000 0.428 214 V N 1.721 121.267 119.914 -0.614 0.000 2.255 214 V HA -0.138 3.987 4.120 0.009 0.000 0.247 214 V C 2.560 178.317 176.094 -0.562 0.000 1.051 214 V CA 1.538 63.342 62.300 -0.826 0.000 1.018 214 V CB -0.746 30.804 31.823 -0.456 0.000 0.641 214 V HN 0.448 nan 8.190 nan 0.000 0.445 215 L N -0.410 120.610 121.223 -0.338 0.000 2.131 215 L HA -0.197 4.149 4.340 0.009 0.000 0.210 215 L C 2.531 179.262 176.870 -0.231 0.000 1.092 215 L CA 1.667 56.375 54.840 -0.220 0.000 0.759 215 L CB -0.647 41.326 42.059 -0.144 0.000 0.903 215 L HN 0.457 nan 8.230 nan 0.000 0.435 216 E N -0.232 119.793 120.200 -0.292 0.000 2.152 216 E HA -0.108 4.248 4.350 0.009 0.000 0.192 216 E C 1.413 177.880 176.600 -0.223 0.000 0.983 216 E CA 0.592 56.850 56.400 -0.237 0.000 0.818 216 E CB 0.129 29.679 29.700 -0.250 0.000 0.758 216 E HN 0.484 nan 8.360 nan 0.000 0.467 217 N N -0.002 118.488 118.700 -0.350 0.000 2.236 217 N HA 0.100 4.846 4.740 0.009 0.000 0.196 217 N C -0.144 175.303 175.510 -0.106 0.000 1.114 217 N CA 0.107 53.012 53.050 -0.241 0.000 0.859 217 N CB 0.978 39.285 38.487 -0.300 0.000 0.982 217 N HN 0.080 nan 8.380 nan 0.000 0.493 218 L N 2.541 123.671 121.223 -0.155 0.000 2.312 218 L HA 0.320 4.666 4.340 0.009 0.000 0.281 218 L C -1.419 175.455 176.870 0.007 0.000 1.070 218 L CA -1.435 53.403 54.840 -0.003 0.000 0.805 218 L CB 0.892 42.946 42.059 -0.010 0.000 1.174 218 L HN -0.101 nan 8.230 nan 0.000 0.434 219 P HA -0.211 nan 4.420 nan 0.000 0.286 219 P C 0.297 177.607 177.300 0.016 0.000 1.688 219 P CA 0.028 63.149 63.100 0.035 0.000 1.390 219 P CB 0.459 32.190 31.700 0.052 0.000 0.829 220 D N -1.032 119.378 120.400 0.018 0.000 2.092 220 D HA -0.128 4.517 4.640 0.009 0.000 0.193 220 D C 0.756 177.063 176.300 0.012 0.000 0.994 220 D CA 1.668 55.674 54.000 0.011 0.000 0.828 220 D CB 0.067 40.874 40.800 0.013 0.000 0.963 220 D HN 0.154 nan 8.370 nan 0.000 0.450 221 K N -0.808 119.604 120.400 0.020 0.000 2.400 221 K HA 0.653 4.979 4.320 0.009 0.000 0.249 221 K C -0.614 176.006 176.600 0.033 0.000 1.069 221 K CA -0.856 55.444 56.287 0.022 0.000 0.965 221 K CB 0.834 33.347 32.500 0.021 0.000 1.365 221 K HN -0.076 nan 8.250 nan 0.000 0.539 222 A N 1.602 124.444 122.820 0.036 0.000 2.444 222 A HA 0.259 4.584 4.320 0.009 0.000 0.332 222 A C -0.588 177.039 177.584 0.071 0.000 1.430 222 A CA -0.330 51.738 52.037 0.051 0.000 0.975 222 A CB -0.342 18.682 19.000 0.040 0.000 1.147 222 A HN 0.447 nan 8.150 nan 0.000 0.524 223 D N 1.302 121.766 120.400 0.107 0.000 2.325 223 D HA -0.033 4.613 4.640 0.009 0.000 0.234 223 D C 1.805 178.232 176.300 0.212 0.000 1.122 223 D CA 0.074 54.157 54.000 0.138 0.000 0.850 223 D CB 0.133 41.039 40.800 0.176 0.000 0.921 223 D HN 0.715 nan 8.370 nan 0.000 0.513 224 R N 1.108 121.715 120.500 0.178 0.000 2.189 224 R HA -0.110 4.236 4.340 0.009 0.000 0.223 224 R C 0.210 176.628 176.300 0.197 0.000 1.092 224 R CA 0.989 57.217 56.100 0.213 0.000 0.989 224 R CB 0.019 30.380 30.300 0.102 0.000 0.876 224 R HN 0.034 nan 8.270 nan 0.000 0.457 225 D N 1.023 121.490 120.400 0.112 0.000 2.348 225 D HA -0.116 4.530 4.640 0.009 0.000 0.216 225 D C 1.287 177.592 176.300 0.009 0.000 0.970 225 D CA 0.703 54.736 54.000 0.055 0.000 0.889 225 D CB -0.036 40.780 40.800 0.027 0.000 0.912 225 D HN 0.492 nan 8.370 nan 0.000 0.524 226 Q N -0.606 119.186 119.800 -0.013 0.000 2.472 226 Q HA -0.008 4.338 4.340 0.009 0.000 0.208 226 Q C -0.213 175.500 176.000 -0.477 0.000 0.958 226 Q CA 0.552 56.205 55.803 -0.250 0.000 0.932 226 Q CB 0.242 28.747 28.738 -0.388 0.000 1.007 226 Q HN 0.358 nan 8.270 nan 0.000 0.508 227 Y N -0.217 120.105 120.300 0.036 0.000 2.524 227 Y HA 0.420 4.976 4.550 0.009 0.000 0.344 227 Y C 0.047 175.959 175.900 0.021 0.000 1.012 227 Y CA -1.034 57.092 58.100 0.044 0.000 1.068 227 Y CB 1.809 40.337 38.460 0.113 0.000 1.249 227 Y HN -0.150 nan 8.280 nan 0.000 0.468 228 E N 1.143 121.433 120.200 0.151 0.000 2.458 228 E HA 0.585 4.941 4.350 0.009 0.000 0.278 228 E C -1.733 174.912 176.600 0.075 0.000 1.004 228 E CA -1.065 55.380 56.400 0.076 0.000 0.823 228 E CB 2.693 32.393 29.700 0.000 0.000 1.396 228 E HN 0.374 nan 8.360 nan 0.000 0.463 229 L N 1.441 122.693 121.223 0.048 0.000 2.325 229 L HA 0.457 4.803 4.340 0.009 0.000 0.278 229 L C -0.542 176.343 176.870 0.025 0.000 1.023 229 L CA -0.857 54.013 54.840 0.050 0.000 0.811 229 L CB 1.000 43.093 42.059 0.058 0.000 1.249 229 L HN 0.279 nan 8.230 nan 0.000 0.431 230 L N 2.515 123.772 121.223 0.056 0.000 2.281 230 L HA 0.298 4.643 4.340 0.009 0.000 0.285 230 L C -0.444 176.427 176.870 0.001 0.000 1.074 230 L CA -0.339 54.556 54.840 0.093 0.000 0.817 230 L CB 0.886 43.119 42.059 0.291 0.000 1.168 230 L HN 0.698 nan 8.230 nan 0.000 0.434 231 c N 2.468 121.043 118.600 -0.041 0.000 2.364 231 c HA 0.302 4.878 4.570 0.009 0.000 0.356 231 c C 1.819 175.758 174.090 -0.253 0.000 1.201 231 c CA -0.840 55.391 56.329 -0.163 0.000 2.227 231 c CB 1.168 43.606 42.510 -0.120 0.000 2.387 231 c HN 0.830 nan 8.230 nan 0.000 0.546 232 R N 0.889 121.127 120.500 -0.435 0.000 2.285 232 R HA -0.082 4.264 4.340 0.009 0.000 0.213 232 R C 0.613 176.825 176.300 -0.146 0.000 1.068 232 R CA 1.228 57.025 56.100 -0.505 0.000 1.004 232 R CB -0.205 29.805 30.300 -0.483 0.000 0.873 232 R HN 0.835 nan 8.270 nan 0.000 0.467 233 D N -0.464 119.878 120.400 -0.096 0.000 2.370 233 D HA -0.026 4.619 4.640 0.009 0.000 0.230 233 D C -0.319 176.001 176.300 0.035 0.000 1.143 233 D CA -0.290 53.698 54.000 -0.020 0.000 0.834 233 D CB -0.269 40.505 40.800 -0.042 0.000 0.944 233 D HN -0.075 nan 8.370 nan 0.000 0.504 234 N N 0.039 118.792 118.700 0.089 0.000 2.754 234 N HA -0.141 4.605 4.740 0.009 0.000 0.248 234 N C -0.475 175.080 175.510 0.075 0.000 1.093 234 N CA 1.423 54.555 53.050 0.137 0.000 0.699 234 N CB -1.884 36.687 38.487 0.141 0.000 1.016 234 N HN 0.676 nan 8.380 nan 0.000 0.552 235 T N -3.042 111.535 114.554 0.038 0.000 2.858 235 T HA 0.766 5.122 4.350 0.009 0.000 0.285 235 T C 0.099 174.799 174.700 -0.001 0.000 1.052 235 T CA -0.918 61.188 62.100 0.010 0.000 1.009 235 T CB 2.654 71.516 68.868 -0.009 0.000 1.241 235 T HN 0.143 nan 8.240 nan 0.000 0.542 236 R N -0.276 120.214 120.500 -0.018 0.000 2.750 236 R HA 0.777 5.123 4.340 0.009 0.000 0.281 236 R C -0.667 175.618 176.300 -0.025 0.000 0.972 236 R CA -0.918 55.166 56.100 -0.027 0.000 0.912 236 R CB 2.440 32.710 30.300 -0.049 0.000 1.187 236 R HN 0.592 nan 8.270 nan 0.000 0.464 237 R N 1.066 121.554 120.500 -0.019 0.000 2.836 237 R HA 0.444 4.790 4.340 0.009 0.000 0.269 237 R C -2.656 173.645 176.300 0.001 0.000 1.010 237 R CA -2.076 54.013 56.100 -0.018 0.000 0.930 237 R CB 2.298 32.580 30.300 -0.030 0.000 1.218 237 R HN 0.344 nan 8.270 nan 0.000 0.473 238 P HA -0.076 nan 4.420 nan 0.000 0.268 238 P C 0.801 178.128 177.300 0.044 0.000 1.208 238 P CA -0.105 63.008 63.100 0.021 0.000 0.777 238 P CB 0.497 32.200 31.700 0.006 0.000 0.875 239 V N -0.626 119.332 119.914 0.074 0.000 2.594 239 V HA -0.206 3.919 4.120 0.009 0.000 0.253 239 V C 0.865 177.047 176.094 0.146 0.000 1.069 239 V CA 2.143 64.506 62.300 0.105 0.000 1.082 239 V CB -1.656 30.221 31.823 0.090 0.000 0.680 239 V HN 0.445 nan 8.190 nan 0.000 0.469 240 D N -0.387 120.066 120.400 0.089 0.000 2.319 240 D HA 0.055 4.700 4.640 0.009 0.000 0.230 240 D C 0.866 177.111 176.300 -0.092 0.000 1.094 240 D CA 0.488 54.535 54.000 0.079 0.000 0.856 240 D CB -0.151 40.677 40.800 0.048 0.000 0.915 240 D HN 0.486 nan 8.370 nan 0.000 0.517 241 D N -0.169 120.180 120.400 -0.084 0.000 2.615 241 D HA 0.003 4.648 4.640 0.009 0.000 0.236 241 D C 0.772 176.938 176.300 -0.222 0.000 1.233 241 D CA -0.597 53.287 54.000 -0.193 0.000 0.829 241 D CB -0.312 40.426 40.800 -0.102 0.000 1.024 241 D HN 0.358 nan 8.370 nan 0.000 0.490 242 Y N -0.307 119.932 120.300 -0.101 0.000 2.333 242 Y HA -0.005 4.550 4.550 0.008 0.000 0.290 242 Y C 1.549 177.300 175.900 -0.248 0.000 1.144 242 Y CA 0.824 58.839 58.100 -0.142 0.000 1.228 242 Y CB -0.581 37.800 38.460 -0.132 0.000 0.985 242 Y HN -0.000 nan 8.280 nan 0.000 0.542 243 E N 0.638 120.437 120.200 -0.668 0.000 2.265 243 E HA -0.136 4.220 4.350 0.009 0.000 0.196 243 E C 0.540 177.084 176.600 -0.094 0.000 0.996 243 E CA 0.918 57.048 56.400 -0.450 0.000 0.832 243 E CB -0.269 29.165 29.700 -0.443 0.000 0.756 243 E HN 0.665 nan 8.360 nan 0.000 0.491 244 N N 0.020 118.647 118.700 -0.122 0.000 2.238 244 N HA 0.059 4.804 4.740 0.009 0.000 0.222 244 N C -0.355 175.082 175.510 -0.121 0.000 1.133 244 N CA 0.085 53.077 53.050 -0.096 0.000 0.854 244 N CB 0.957 39.382 38.487 -0.104 0.000 1.041 244 N HN -0.002 nan 8.380 nan 0.000 0.510 245 c N 1.580 120.126 118.600 -0.090 0.000 2.808 245 c HA 0.259 4.835 4.570 0.009 0.000 0.236 245 c C -1.124 172.950 174.090 -0.028 0.000 1.021 245 c CA -0.717 55.544 56.329 -0.113 0.000 0.966 245 c CB -1.614 40.861 42.510 -0.058 0.000 1.763 245 c HN 0.414 nan 8.230 nan 0.000 0.687 246 Y N -0.220 120.028 120.300 -0.087 0.000 2.598 246 Y HA 0.814 5.371 4.550 0.013 0.000 0.340 246 Y C 0.328 176.193 175.900 -0.057 0.000 1.038 246 Y CA -1.415 56.669 58.100 -0.026 0.000 1.100 246 Y CB 0.715 39.193 38.460 0.030 0.000 1.281 246 Y HN 0.124 nan 8.280 nan 0.000 0.488 247 L N 1.248 122.578 121.223 0.178 0.000 2.286 247 L HA 0.610 4.955 4.340 0.009 0.000 0.203 247 L C 0.637 177.600 176.870 0.155 0.000 1.068 247 L CA 0.593 55.438 54.840 0.010 0.000 0.811 247 L CB 0.056 42.123 42.059 0.014 0.000 0.989 247 L HN 0.869 nan 8.230 nan 0.000 0.467 248 A N -0.756 122.278 122.820 0.356 0.000 2.566 248 A HA 0.524 4.850 4.320 0.009 0.000 0.290 248 A C -1.589 176.047 177.584 0.085 0.000 1.071 248 A CA -0.560 51.633 52.037 0.261 0.000 0.658 248 A CB 1.132 20.168 19.000 0.059 0.000 1.285 248 A HN 0.053 nan 8.150 nan 0.000 0.427 249 Q N 0.229 119.949 119.800 -0.133 0.000 2.271 249 Q HA 0.584 4.930 4.340 0.009 0.000 0.258 249 Q C -0.615 175.160 176.000 -0.376 0.000 0.936 249 Q CA -0.759 54.799 55.803 -0.408 0.000 0.909 249 Q CB 2.136 30.535 28.738 -0.565 0.000 1.253 249 Q HN 1.031 nan 8.270 nan 0.000 0.440 250 V N -0.176 119.446 119.914 -0.487 0.000 2.962 250 V HA 0.696 4.822 4.120 0.009 0.000 0.313 250 V C -2.786 173.021 176.094 -0.478 0.000 1.099 250 V CA -2.968 58.997 62.300 -0.559 0.000 0.971 250 V CB 1.649 33.068 31.823 -0.675 0.000 1.028 250 V HN 0.579 nan 8.190 nan 0.000 0.430 251 P HA 0.270 nan 4.420 nan 0.000 0.272 251 P C 0.056 177.444 177.300 0.147 0.000 1.230 251 P CA 0.079 62.924 63.100 -0.425 0.000 0.788 251 P CB 0.488 31.920 31.700 -0.447 0.000 0.949 252 S N 0.463 116.391 115.700 0.381 0.000 2.558 252 S HA -0.018 4.458 4.470 0.009 0.000 0.287 252 S C 0.423 175.527 174.600 0.839 0.000 1.321 252 S CA -0.031 58.637 58.200 0.780 0.000 1.048 252 S CB -0.610 62.973 63.200 0.638 0.000 0.844 252 S HN 0.395 nan 8.310 nan 0.000 0.512 253 H N 0.544 119.990 119.070 0.627 0.000 2.948 253 H HA 0.326 4.887 4.556 0.009 0.000 0.351 253 H C 0.350 175.940 175.328 0.437 0.000 1.079 253 H CA 0.059 56.396 56.048 0.482 0.000 1.407 253 H CB 0.431 30.448 29.762 0.425 0.000 1.373 253 H HN 0.659 nan 8.280 nan 0.000 0.605 254 A N 2.804 125.863 122.820 0.399 0.000 2.539 254 A HA 0.411 4.737 4.320 0.009 0.000 0.296 254 A C -0.727 176.981 177.584 0.208 0.000 1.073 254 A CA -0.718 51.469 52.037 0.251 0.000 0.700 254 A CB 1.330 20.292 19.000 -0.062 0.000 1.296 254 A HN 0.444 nan 8.150 nan 0.000 0.405 255 V N 1.960 122.004 119.914 0.217 0.000 2.555 255 V HA 0.421 4.546 4.120 0.009 0.000 0.286 255 V C 0.572 176.678 176.094 0.021 0.000 1.044 255 V CA 0.057 62.457 62.300 0.167 0.000 1.026 255 V CB 0.795 32.772 31.823 0.257 0.000 0.981 255 V HN 1.062 nan 8.190 nan 0.000 0.480 256 V N 2.420 122.311 119.914 -0.039 0.000 2.994 256 V HA 1.095 5.221 4.120 0.009 0.000 0.318 256 V C -0.111 175.919 176.094 -0.107 0.000 1.085 256 V CA -0.386 61.869 62.300 -0.075 0.000 0.998 256 V CB 1.719 33.502 31.823 -0.067 0.000 1.063 256 V HN 1.247 nan 8.190 nan 0.000 0.447 257 A N 2.040 124.808 122.820 -0.086 0.000 2.599 257 A HA 0.749 5.074 4.320 0.009 0.000 0.290 257 A C -0.417 177.132 177.584 -0.059 0.000 1.101 257 A CA -1.173 50.814 52.037 -0.083 0.000 0.674 257 A CB 1.224 20.185 19.000 -0.065 0.000 1.277 257 A HN 0.926 nan 8.150 nan 0.000 0.419 258 R N 0.553 121.023 120.500 -0.050 0.000 2.585 258 R HA 0.176 4.522 4.340 0.009 0.000 0.275 258 R C 0.909 177.191 176.300 -0.030 0.000 1.018 258 R CA 0.482 56.562 56.100 -0.033 0.000 1.072 258 R CB 0.449 30.732 30.300 -0.029 0.000 0.953 258 R HN 0.721 nan 8.270 nan 0.000 0.419 259 S N 0.969 116.654 115.700 -0.026 0.000 2.368 259 S HA -0.073 4.403 4.470 0.009 0.000 0.224 259 S C 0.698 175.284 174.600 -0.024 0.000 1.029 259 S CA 0.603 58.786 58.200 -0.027 0.000 0.988 259 S CB 0.238 63.423 63.200 -0.025 0.000 0.838 259 S HN 0.452 nan 8.310 nan 0.000 0.462 260 V N 1.928 121.829 119.914 -0.021 0.000 2.459 260 V HA 0.447 4.573 4.120 0.009 0.000 0.295 260 V C -0.675 175.409 176.094 -0.017 0.000 1.029 260 V CA -0.510 61.778 62.300 -0.019 0.000 0.874 260 V CB 1.285 33.097 31.823 -0.019 0.000 0.985 260 V HN 0.399 nan 8.190 nan 0.000 0.438 261 D N 3.772 124.164 120.400 -0.014 0.000 2.723 261 D HA -0.143 4.503 4.640 0.009 0.000 0.236 261 D C 1.090 177.382 176.300 -0.014 0.000 1.138 261 D CA 1.304 55.297 54.000 -0.012 0.000 0.676 261 D CB -1.022 39.770 40.800 -0.013 0.000 1.069 261 D HN 0.952 nan 8.370 nan 0.000 0.430 262 G N -0.163 108.628 108.800 -0.015 0.000 3.042 262 G HA2 0.090 4.056 3.960 0.009 0.000 0.212 262 G HA3 0.090 4.056 3.960 0.009 0.000 0.212 262 G C 0.679 175.573 174.900 -0.010 0.000 1.166 262 G CA 0.429 45.518 45.100 -0.020 0.000 0.767 262 G HN 0.284 nan 8.290 nan 0.000 0.546 263 Q N -0.431 119.371 119.800 0.002 0.000 2.481 263 Q HA -0.194 4.152 4.340 0.009 0.000 0.272 263 Q C 1.213 177.237 176.000 0.040 0.000 1.157 263 Q CA 1.176 56.990 55.803 0.019 0.000 0.935 263 Q CB -1.851 26.896 28.738 0.015 0.000 1.338 263 Q HN 0.709 nan 8.270 nan 0.000 0.494 264 E N -0.054 120.168 120.200 0.037 0.000 2.204 264 E HA -0.154 4.201 4.350 0.009 0.000 0.194 264 E C 1.332 178.002 176.600 0.117 0.000 0.989 264 E CA 1.256 57.693 56.400 0.062 0.000 0.824 264 E CB -0.100 29.617 29.700 0.029 0.000 0.756 264 E HN 0.700 nan 8.360 nan 0.000 0.477 265 D N 0.966 121.426 120.400 0.101 0.000 2.092 265 D HA -0.181 4.465 4.640 0.009 0.000 0.193 265 D C 1.733 178.130 176.300 0.163 0.000 0.994 265 D CA 1.356 55.440 54.000 0.141 0.000 0.828 265 D CB -0.467 40.388 40.800 0.092 0.000 0.963 265 D HN 0.047 nan 8.370 nan 0.000 0.450 266 S N 0.902 116.667 115.700 0.109 0.000 2.370 266 S HA -0.124 4.352 4.470 0.009 0.000 0.226 266 S C 2.300 176.975 174.600 0.124 0.000 1.033 266 S CA 0.752 59.008 58.200 0.094 0.000 1.011 266 S CB -0.354 62.885 63.200 0.065 0.000 0.852 266 S HN 0.286 nan 8.310 nan 0.000 0.457 267 I N 0.444 121.105 120.570 0.152 0.000 2.179 267 I HA -0.228 3.948 4.170 0.009 0.000 0.242 267 I C 2.333 178.596 176.117 0.242 0.000 1.088 267 I CA 1.316 62.736 61.300 0.200 0.000 1.357 267 I CB -0.348 37.755 38.000 0.172 0.000 1.051 267 I HN 0.510 nan 8.210 nan 0.000 0.409 268 W N 2.347 123.683 121.300 0.060 0.000 2.335 268 W HA -0.262 4.404 4.660 0.010 0.000 0.311 268 W C 2.363 178.927 176.519 0.074 0.000 1.213 268 W CA 1.937 59.316 57.345 0.057 0.000 1.274 268 W CB -0.175 29.317 29.460 0.053 0.000 1.148 268 W HN 0.226 nan 8.180 nan 0.000 0.498 269 E N 0.601 120.756 120.200 -0.074 0.000 2.070 269 E HA -0.324 4.032 4.350 0.009 0.000 0.197 269 E C 2.295 178.803 176.600 -0.153 0.000 1.004 269 E CA 2.003 58.301 56.400 -0.170 0.000 0.805 269 E CB -0.543 29.155 29.700 -0.003 0.000 0.744 269 E HN 0.229 nan 8.360 nan 0.000 0.451 270 L N 0.778 121.978 121.223 -0.038 0.000 1.989 270 L HA -0.196 4.150 4.340 0.009 0.000 0.211 270 L C 2.208 179.083 176.870 0.009 0.000 1.071 270 L CA 1.733 56.580 54.840 0.013 0.000 0.749 270 L CB -0.468 41.644 42.059 0.088 0.000 0.890 270 L HN 0.234 nan 8.230 nan 0.000 0.431 271 L N -0.644 120.542 121.223 -0.061 0.000 2.093 271 L HA -0.201 4.145 4.340 0.009 0.000 0.208 271 L C 2.452 179.219 176.870 -0.172 0.000 1.085 271 L CA 1.611 56.365 54.840 -0.144 0.000 0.755 271 L CB -0.791 41.029 42.059 -0.399 0.000 0.904 271 L HN 0.520 nan 8.230 nan 0.000 0.435 272 N N -0.054 118.315 118.700 -0.551 0.000 2.084 272 N HA -0.233 4.513 4.740 0.009 0.000 0.190 272 N C 1.861 177.239 175.510 -0.220 0.000 1.030 272 N CA 1.296 53.978 53.050 -0.614 0.000 0.849 272 N CB 0.085 37.864 38.487 -1.181 0.000 1.012 272 N HN 0.435 nan 8.380 nan 0.000 0.423 273 Q N 0.019 119.730 119.800 -0.148 0.000 2.170 273 Q HA -0.064 4.282 4.340 0.009 0.000 0.203 273 Q C 2.078 178.167 176.000 0.149 0.000 0.976 273 Q CA 1.262 57.077 55.803 0.020 0.000 0.858 273 Q CB -0.051 28.730 28.738 0.071 0.000 0.907 273 Q HN 0.439 nan 8.270 nan 0.000 0.433 274 A N 1.719 124.643 122.820 0.173 0.000 1.930 274 A HA -0.236 4.089 4.320 0.009 0.000 0.217 274 A C 2.103 179.804 177.584 0.196 0.000 1.175 274 A CA 1.489 53.720 52.037 0.324 0.000 0.627 274 A CB -0.497 18.771 19.000 0.448 0.000 0.815 274 A HN 0.513 nan 8.150 nan 0.000 0.443 275 Q N -0.988 118.884 119.800 0.121 0.000 2.230 275 Q HA -0.179 4.167 4.340 0.009 0.000 0.202 275 Q C 1.658 177.650 176.000 -0.013 0.000 0.963 275 Q CA 1.552 57.390 55.803 0.057 0.000 0.866 275 Q CB -0.267 28.538 28.738 0.112 0.000 0.931 275 Q HN 0.445 nan 8.270 nan 0.000 0.452 276 E N 1.128 121.287 120.200 -0.068 0.000 2.051 276 E HA -0.176 4.180 4.350 0.009 0.000 0.192 276 E C 1.393 177.789 176.600 -0.340 0.000 0.991 276 E CA 1.847 58.119 56.400 -0.213 0.000 0.799 276 E CB -0.134 29.379 29.700 -0.312 0.000 0.748 276 E HN 0.683 nan 8.360 nan 0.000 0.449 277 H N -2.563 116.341 119.070 -0.276 0.000 2.497 277 H HA 0.206 4.768 4.556 0.009 0.000 0.282 277 H C 0.499 175.412 175.328 -0.691 0.000 1.003 277 H CA 0.983 56.669 56.048 -0.604 0.000 1.307 277 H CB 0.268 29.386 29.762 -1.074 0.000 1.437 277 H HN 0.103 nan 8.280 nan 0.000 0.544 278 F N -0.266 119.762 119.950 0.130 0.000 2.817 278 F HA 0.323 4.856 4.527 0.009 0.000 0.319 278 F C 1.438 177.148 175.800 -0.150 0.000 1.136 278 F CA -0.571 57.447 58.000 0.031 0.000 1.177 278 F CB 0.612 39.712 39.000 0.167 0.000 1.088 278 F HN 0.064 nan 8.300 nan 0.000 0.520 279 G N 0.509 109.310 108.800 0.002 0.000 2.631 279 G HA2 0.161 4.127 3.960 0.009 0.000 0.271 279 G HA3 0.161 4.127 3.960 0.009 0.000 0.271 279 G C -0.302 174.627 174.900 0.049 0.000 1.302 279 G CA -0.618 44.484 45.100 0.002 0.000 1.002 279 G HN 0.215 nan 8.290 nan 0.000 0.519 280 R N 0.172 120.752 120.500 0.133 0.000 2.486 280 R HA 0.028 4.373 4.340 0.009 0.000 0.303 280 R C 0.295 176.609 176.300 0.024 0.000 0.958 280 R CA 0.954 57.102 56.100 0.079 0.000 1.077 280 R CB -0.551 29.755 30.300 0.011 0.000 0.921 280 R HN 0.610 nan 8.270 nan 0.000 0.406 281 D N 2.864 123.273 120.400 0.014 0.000 3.059 281 D HA -0.202 4.444 4.640 0.009 0.000 0.220 281 D C 0.043 176.349 176.300 0.011 0.000 1.169 281 D CA 1.052 55.056 54.000 0.008 0.000 0.902 281 D CB -0.145 40.656 40.800 0.002 0.000 1.116 281 D HN 0.626 nan 8.370 nan 0.000 0.417 282 K N -0.264 120.145 120.400 0.015 0.000 2.314 282 K HA 0.091 4.417 4.320 0.009 0.000 0.198 282 K C 0.943 177.565 176.600 0.037 0.000 1.045 282 K CA 0.455 56.746 56.287 0.007 0.000 0.988 282 K CB 0.722 33.211 32.500 -0.018 0.000 0.783 282 K HN 0.228 nan 8.250 nan 0.000 0.484 283 S N -0.062 115.686 115.700 0.081 0.000 2.535 283 S HA 0.337 4.813 4.470 0.009 0.000 0.272 283 S C -2.517 172.157 174.600 0.122 0.000 1.149 283 S CA -1.046 57.237 58.200 0.138 0.000 0.888 283 S CB 1.891 65.278 63.200 0.310 0.000 1.110 283 S HN -0.162 nan 8.310 nan 0.000 0.463 284 P HA 0.182 nan 4.420 nan 0.000 0.230 284 P C 0.358 177.721 177.300 0.105 0.000 1.168 284 P CA 0.604 63.754 63.100 0.083 0.000 0.793 284 P CB 0.139 31.878 31.700 0.065 0.000 0.851 285 D N -0.724 119.775 120.400 0.164 0.000 2.149 285 D HA 0.020 4.666 4.640 0.009 0.000 0.201 285 D C 0.362 176.785 176.300 0.207 0.000 0.972 285 D CA 1.013 55.114 54.000 0.169 0.000 0.835 285 D CB 0.029 40.950 40.800 0.201 0.000 0.966 285 D HN 0.238 nan 8.370 nan 0.000 0.476 286 F N -0.065 119.893 119.950 0.013 0.000 2.650 286 F HA 0.304 4.837 4.527 0.010 0.000 0.310 286 F C -1.697 174.085 175.800 -0.030 0.000 1.112 286 F CA -0.929 56.998 58.000 -0.122 0.000 0.986 286 F CB 1.526 40.252 39.000 -0.457 0.000 1.285 286 F HN -0.434 nan 8.300 nan 0.000 0.440 287 Q N 5.215 124.399 119.800 -1.026 0.000 2.325 287 Q HA 0.369 4.715 4.340 0.009 0.000 0.270 287 Q C 0.100 175.384 176.000 -1.193 0.000 1.020 287 Q CA -0.672 54.666 55.803 -0.774 0.000 0.785 287 Q CB 1.981 30.499 28.738 -0.366 0.000 1.259 287 Q HN 0.745 nan 8.270 nan 0.000 0.452 288 L N 1.385 122.009 121.223 -0.998 0.000 2.083 288 L HA -0.013 4.333 4.340 0.009 0.000 0.209 288 L C 0.385 176.784 176.870 -0.785 0.000 1.083 288 L CA 1.778 55.999 54.840 -1.032 0.000 0.752 288 L CB -0.076 41.163 42.059 -1.366 0.000 0.899 288 L HN 0.697 nan 8.230 nan 0.000 0.433 289 F N -1.867 117.938 119.950 -0.241 0.000 2.750 289 F HA 0.431 4.964 4.527 0.010 0.000 0.297 289 F C 0.697 176.419 175.800 -0.131 0.000 1.138 289 F CA -0.328 57.578 58.000 -0.156 0.000 1.346 289 F CB -0.112 38.762 39.000 -0.209 0.000 0.965 289 F HN -0.148 nan 8.300 nan 0.000 0.514 290 S N -0.707 114.966 115.700 -0.045 0.000 2.587 290 S HA 0.727 5.202 4.470 0.009 0.000 0.269 290 S C -1.240 173.314 174.600 -0.076 0.000 1.154 290 S CA -0.526 57.647 58.200 -0.046 0.000 0.824 290 S CB 1.695 64.853 63.200 -0.068 0.000 1.118 290 S HN -0.012 nan 8.310 nan 0.000 0.462 291 S N 0.336 116.020 115.700 -0.028 0.000 2.556 291 S HA 0.390 4.866 4.470 0.009 0.000 0.280 291 S C 0.455 175.037 174.600 -0.029 0.000 1.141 291 S CA 0.155 58.355 58.200 -0.000 0.000 0.883 291 S CB 0.999 64.252 63.200 0.088 0.000 1.103 291 S HN 1.091 nan 8.310 nan 0.000 0.453 292 S N 2.367 117.995 115.700 -0.121 0.000 2.555 292 S HA 0.000 4.476 4.470 0.009 0.000 0.230 292 S C 0.982 175.424 174.600 -0.263 0.000 0.978 292 S CA 0.473 58.550 58.200 -0.205 0.000 0.934 292 S CB -0.520 62.522 63.200 -0.263 0.000 0.766 292 S HN 0.812 nan 8.310 nan 0.000 0.533 293 H N 1.524 120.619 119.070 0.042 0.000 2.548 293 H HA 0.435 4.996 4.556 0.009 0.000 0.265 293 H C 1.262 176.629 175.328 0.064 0.000 0.969 293 H CA 0.715 56.794 56.048 0.051 0.000 1.155 293 H CB 0.215 30.010 29.762 0.056 0.000 1.394 293 H HN 0.615 nan 8.280 nan 0.000 0.570 294 G N 0.168 109.053 108.800 0.141 0.000 2.356 294 G HA2 0.079 4.044 3.960 0.009 0.000 0.300 294 G HA3 0.079 4.044 3.960 0.009 0.000 0.300 294 G C -1.534 173.432 174.900 0.109 0.000 1.331 294 G CA -0.984 44.195 45.100 0.132 0.000 0.905 294 G HN -0.110 nan 8.290 nan 0.000 0.587 295 K N 0.979 121.448 120.400 0.115 0.000 2.138 295 K HA 0.522 4.848 4.320 0.009 0.000 0.263 295 K C -0.463 176.213 176.600 0.127 0.000 0.965 295 K CA -0.392 55.952 56.287 0.095 0.000 0.868 295 K CB 1.280 33.828 32.500 0.080 0.000 1.083 295 K HN 0.650 nan 8.250 nan 0.000 0.443 296 D N 1.004 121.473 120.400 0.116 0.000 2.800 296 D HA -0.185 4.460 4.640 0.009 0.000 0.232 296 D C -0.442 175.956 176.300 0.164 0.000 1.137 296 D CA 0.694 54.785 54.000 0.152 0.000 0.718 296 D CB -1.383 39.527 40.800 0.183 0.000 1.084 296 D HN 0.362 nan 8.370 nan 0.000 0.432 297 L N 0.314 121.614 121.223 0.129 0.000 2.290 297 L HA 0.335 4.681 4.340 0.009 0.000 0.284 297 L C 2.047 178.911 176.870 -0.009 0.000 1.078 297 L CA -0.552 54.344 54.840 0.093 0.000 0.815 297 L CB 0.827 42.944 42.059 0.096 0.000 1.162 297 L HN 0.150 nan 8.230 nan 0.000 0.435 298 L N 1.594 122.764 121.223 -0.088 0.000 3.417 298 L HA -0.342 4.004 4.340 0.009 0.000 0.368 298 L C -0.230 176.187 176.870 -0.754 0.000 0.810 298 L CA 1.522 56.104 54.840 -0.429 0.000 3.108 298 L CB -1.137 40.489 42.059 -0.722 0.000 0.687 298 L HN 0.438 nan 8.230 nan 0.000 0.756 299 F N -1.074 119.006 119.950 0.216 0.000 2.629 299 F HA 0.529 5.061 4.527 0.009 0.000 0.316 299 F C 0.323 176.267 175.800 0.241 0.000 1.081 299 F CA -0.974 57.211 58.000 0.307 0.000 0.954 299 F CB 1.276 40.515 39.000 0.398 0.000 1.337 299 F HN -0.286 nan 8.300 nan 0.000 0.474 300 K N 0.634 121.262 120.400 0.380 0.000 2.270 300 K HA 0.108 4.434 4.320 0.009 0.000 0.276 300 K C -0.133 176.539 176.600 0.120 0.000 1.023 300 K CA -0.250 56.130 56.287 0.156 0.000 0.955 300 K CB 0.624 33.108 32.500 -0.028 0.000 0.975 300 K HN 0.503 nan 8.250 nan 0.000 0.471 301 D N 0.371 120.797 120.400 0.044 0.000 2.263 301 D HA -0.129 4.517 4.640 0.009 0.000 0.208 301 D C 1.413 177.643 176.300 -0.116 0.000 0.971 301 D CA 1.288 55.292 54.000 0.007 0.000 0.867 301 D CB 0.070 40.853 40.800 -0.029 0.000 0.929 301 D HN 0.509 nan 8.370 nan 0.000 0.492 302 S N -0.566 115.025 115.700 -0.183 0.000 2.527 302 S HA 0.256 4.732 4.470 0.009 0.000 0.222 302 S C 1.124 175.637 174.600 -0.144 0.000 0.985 302 S CA -0.097 57.980 58.200 -0.204 0.000 0.921 302 S CB 0.020 63.015 63.200 -0.342 0.000 0.772 302 S HN 0.217 nan 8.310 nan 0.000 0.529 303 A N 2.155 124.807 122.820 -0.281 0.000 2.445 303 A HA 0.439 4.764 4.320 0.009 0.000 0.242 303 A C 0.791 177.567 177.584 -1.348 0.000 1.075 303 A CA -0.390 51.174 52.037 -0.788 0.000 0.777 303 A CB 0.073 18.565 19.000 -0.846 0.000 1.013 303 A HN 0.376 nan 8.150 nan 0.000 0.493 304 N N 0.240 118.111 118.700 -1.381 0.000 2.171 304 N HA 0.307 5.053 4.740 0.009 0.000 0.212 304 N C 0.436 175.108 175.510 -1.397 0.000 1.184 304 N CA 0.958 53.275 53.050 -1.221 0.000 0.888 304 N CB 1.152 39.285 38.487 -0.590 0.000 1.038 304 N HN 0.985 nan 8.380 nan 0.000 0.517 305 G N -0.180 107.514 108.800 -1.843 0.000 2.323 305 G HA2 0.376 4.342 3.960 0.009 0.000 0.291 305 G HA3 0.376 4.342 3.960 0.009 0.000 0.291 305 G C -2.096 172.171 174.900 -1.056 0.000 1.278 305 G CA -0.735 43.662 45.100 -1.172 0.000 0.860 305 G HN -0.062 nan 8.290 nan 0.000 0.504 306 F N -0.299 119.720 119.950 0.115 0.000 2.563 306 F HA 0.822 5.354 4.527 0.009 0.000 0.316 306 F C 0.182 176.324 175.800 0.570 0.000 1.076 306 F CA -0.902 57.294 58.000 0.326 0.000 0.921 306 F CB 2.230 41.434 39.000 0.340 0.000 1.209 306 F HN 0.312 nan 8.300 nan 0.000 0.462 307 L N 2.072 123.714 121.223 0.698 0.000 2.365 307 L HA 0.490 4.836 4.340 0.009 0.000 0.273 307 L C -0.243 176.773 176.870 0.244 0.000 1.000 307 L CA -1.018 54.104 54.840 0.470 0.000 0.819 307 L CB 2.111 44.411 42.059 0.402 0.000 1.284 307 L HN 0.537 nan 8.230 nan 0.000 0.418 308 K N 3.016 123.240 120.400 -0.294 0.000 2.298 308 K HA 0.413 4.739 4.320 0.009 0.000 0.280 308 K C -0.642 175.786 176.600 -0.286 0.000 1.032 308 K CA -0.387 55.528 56.287 -0.620 0.000 0.958 308 K CB 0.763 32.430 32.500 -1.388 0.000 0.978 308 K HN 0.510 nan 8.250 nan 0.000 0.472 309 I N 6.471 126.839 120.570 -0.337 0.000 2.395 309 I HA 0.159 4.335 4.170 0.009 0.000 0.289 309 I C -1.879 173.994 176.117 -0.408 0.000 1.023 309 I CA -2.466 58.505 61.300 -0.548 0.000 1.350 309 I CB 1.253 38.979 38.000 -0.457 0.000 1.409 309 I HN 0.533 nan 8.210 nan 0.000 0.507 310 P HA -0.014 nan 4.420 nan 0.000 0.267 310 P C 0.657 177.849 177.300 -0.180 0.000 1.200 310 P CA -0.072 62.896 63.100 -0.221 0.000 0.772 310 P CB 0.560 32.163 31.700 -0.161 0.000 0.855 311 S N 1.952 117.576 115.700 -0.128 0.000 2.419 311 S HA -0.151 4.325 4.470 0.009 0.000 0.233 311 S C 1.350 175.904 174.600 -0.077 0.000 1.016 311 S CA 1.007 59.148 58.200 -0.097 0.000 0.974 311 S CB -0.542 62.615 63.200 -0.073 0.000 0.786 311 S HN 0.332 nan 8.310 nan 0.000 0.492 312 K N 0.538 120.896 120.400 -0.069 0.000 2.426 312 K HA 0.288 4.614 4.320 0.009 0.000 0.193 312 K C 0.497 177.070 176.600 -0.044 0.000 1.028 312 K CA -0.043 56.215 56.287 -0.049 0.000 1.047 312 K CB -0.148 32.329 32.500 -0.038 0.000 0.821 312 K HN 0.519 nan 8.250 nan 0.000 0.513 313 M N 3.301 122.859 119.600 -0.071 0.000 2.264 313 M HA -0.018 4.468 4.480 0.009 0.000 0.340 313 M C -0.500 175.785 176.300 -0.026 0.000 1.420 313 M CA -0.280 54.992 55.300 -0.047 0.000 1.254 313 M CB 0.145 32.673 32.600 -0.121 0.000 1.575 313 M HN -0.002 nan 8.290 nan 0.000 0.452 314 D N 2.432 122.841 120.400 0.015 0.000 2.511 314 D HA 0.211 4.857 4.640 0.009 0.000 0.276 314 D C 0.929 177.277 176.300 0.080 0.000 1.220 314 D CA -0.217 53.794 54.000 0.020 0.000 1.077 314 D CB 0.207 41.016 40.800 0.016 0.000 1.126 314 D HN 0.554 nan 8.370 nan 0.000 0.583 315 S N -0.703 115.043 115.700 0.077 0.000 2.382 315 S HA -0.178 4.297 4.470 0.009 0.000 0.228 315 S C 1.901 176.642 174.600 0.235 0.000 1.027 315 S CA 1.197 59.489 58.200 0.155 0.000 0.991 315 S CB -0.815 62.452 63.200 0.112 0.000 0.823 315 S HN 0.422 nan 8.310 nan 0.000 0.469 316 S N 2.011 117.816 115.700 0.175 0.000 2.356 316 S HA 0.032 4.508 4.470 0.009 0.000 0.223 316 S C 1.758 176.478 174.600 0.199 0.000 1.032 316 S CA 1.189 59.500 58.200 0.185 0.000 1.005 316 S CB -0.595 62.685 63.200 0.134 0.000 0.867 316 S HN 0.309 nan 8.310 nan 0.000 0.449 317 L N 0.454 121.780 121.223 0.173 0.000 2.046 317 L HA -0.018 4.328 4.340 0.009 0.000 0.208 317 L C 2.034 179.045 176.870 0.235 0.000 1.077 317 L CA 1.597 56.538 54.840 0.168 0.000 0.747 317 L CB -1.058 41.066 42.059 0.107 0.000 0.896 317 L HN 0.375 nan 8.230 nan 0.000 0.432 318 Y N -0.557 119.828 120.300 0.142 0.000 2.145 318 Y HA -0.247 4.310 4.550 0.012 0.000 0.286 318 Y C 2.260 178.375 175.900 0.359 0.000 1.145 318 Y CA 1.810 60.046 58.100 0.228 0.000 1.148 318 Y CB -0.144 38.395 38.460 0.133 0.000 0.981 318 Y HN 0.129 nan 8.280 nan 0.000 0.507 319 L N -0.361 121.056 121.223 0.324 0.000 2.131 319 L HA 0.153 4.499 4.340 0.009 0.000 0.206 319 L C 1.142 178.140 176.870 0.213 0.000 1.087 319 L CA 0.577 55.581 54.840 0.272 0.000 0.767 319 L CB -0.998 41.282 42.059 0.369 0.000 0.917 319 L HN 0.441 nan 8.230 nan 0.000 0.441 320 G N -1.637 107.288 108.800 0.208 0.000 2.719 320 G HA2 -0.320 3.646 3.960 0.009 0.000 0.686 320 G HA3 -0.320 3.646 3.960 0.009 0.000 0.686 320 G C -0.250 174.783 174.900 0.222 0.000 1.201 320 G CA -0.010 45.207 45.100 0.195 0.000 0.768 320 G HN 0.192 nan 8.290 nan 0.000 0.629 321 Y N 0.838 121.178 120.300 0.067 0.000 2.200 321 Y HA -0.129 4.424 4.550 0.004 0.000 0.290 321 Y C 2.907 178.823 175.900 0.026 0.000 1.137 321 Y CA 2.519 60.644 58.100 0.041 0.000 1.163 321 Y CB -0.047 38.429 38.460 0.026 0.000 0.988 321 Y HN 0.718 nan 8.280 nan 0.000 0.518 322 Q N -0.725 119.263 119.800 0.314 0.000 2.077 322 Q HA -0.271 4.075 4.340 0.009 0.000 0.206 322 Q C 2.004 178.061 176.000 0.095 0.000 0.989 322 Q CA 2.343 58.254 55.803 0.180 0.000 0.853 322 Q CB -0.588 28.245 28.738 0.158 0.000 0.907 322 Q HN 0.635 nan 8.270 nan 0.000 0.418 323 Y N 0.224 120.508 120.300 -0.027 0.000 2.200 323 Y HA -0.156 4.397 4.550 0.006 0.000 0.290 323 Y C 2.066 177.874 175.900 -0.153 0.000 1.137 323 Y CA 0.685 58.740 58.100 -0.076 0.000 1.163 323 Y CB -0.347 38.085 38.460 -0.047 0.000 0.988 323 Y HN -0.121 nan 8.280 nan 0.000 0.518 324 V N -0.409 119.391 119.914 -0.191 0.000 2.392 324 V HA -0.334 3.791 4.120 0.009 0.000 0.249 324 V C 2.216 178.068 176.094 -0.404 0.000 1.059 324 V CA 2.493 64.582 62.300 -0.352 0.000 1.051 324 V CB -1.031 30.716 31.823 -0.127 0.000 0.658 324 V HN 0.466 nan 8.190 nan 0.000 0.455 325 T N 0.177 114.541 114.554 -0.317 0.000 2.821 325 T HA -0.112 4.243 4.350 0.009 0.000 0.267 325 T C 2.060 176.601 174.700 -0.265 0.000 1.046 325 T CA 1.406 63.329 62.100 -0.295 0.000 1.139 325 T CB -0.393 68.312 68.868 -0.272 0.000 0.871 325 T HN 0.570 nan 8.240 nan 0.000 0.454 326 A N 1.643 124.321 122.820 -0.237 0.000 1.877 326 A HA -0.022 4.303 4.320 0.009 0.000 0.216 326 A C 2.196 179.581 177.584 -0.331 0.000 1.186 326 A CA 1.131 53.032 52.037 -0.226 0.000 0.620 326 A CB -0.795 18.138 19.000 -0.111 0.000 0.822 326 A HN 0.315 nan 8.150 nan 0.000 0.443 327 L N -0.345 120.560 121.223 -0.530 0.000 2.046 327 L HA -0.099 4.247 4.340 0.009 0.000 0.208 327 L C 2.569 179.132 176.870 -0.510 0.000 1.077 327 L CA 1.742 56.187 54.840 -0.658 0.000 0.747 327 L CB -1.172 40.152 42.059 -1.225 0.000 0.896 327 L HN 0.391 nan 8.230 nan 0.000 0.432 328 R N -0.752 119.466 120.500 -0.469 0.000 2.075 328 R HA -0.143 4.203 4.340 0.009 0.000 0.232 328 R C 2.014 178.216 176.300 -0.164 0.000 1.126 328 R CA 1.167 57.132 56.100 -0.225 0.000 0.963 328 R CB -0.168 30.040 30.300 -0.153 0.000 0.858 328 R HN 0.409 nan 8.270 nan 0.000 0.435 329 N N 0.891 119.465 118.700 -0.210 0.000 2.060 329 N HA -0.191 4.554 4.740 0.009 0.000 0.195 329 N C 1.678 177.072 175.510 -0.194 0.000 1.028 329 N CA 1.366 54.289 53.050 -0.211 0.000 0.861 329 N CB -0.269 38.052 38.487 -0.278 0.000 1.029 329 N HN 0.199 nan 8.380 nan 0.000 0.428 330 L N -0.076 121.041 121.223 -0.178 0.000 2.478 330 L HA 0.081 4.427 4.340 0.009 0.000 0.223 330 L C 2.280 179.158 176.870 0.013 0.000 1.140 330 L CA 0.358 55.147 54.840 -0.085 0.000 0.842 330 L CB -0.001 42.017 42.059 -0.068 0.000 0.953 330 L HN 0.093 nan 8.230 nan 0.000 0.452 331 R N 0.210 120.712 120.500 0.004 0.000 2.156 331 R HA -0.052 4.294 4.340 0.009 0.000 0.207 331 R C 1.915 178.259 176.300 0.074 0.000 1.040 331 R CA 0.726 56.871 56.100 0.075 0.000 1.013 331 R CB 0.189 30.566 30.300 0.128 0.000 0.931 331 R HN 0.410 nan 8.270 nan 0.000 0.465 332 E N 1.400 121.626 120.200 0.043 0.000 2.481 332 E HA -0.058 4.298 4.350 0.009 0.000 0.195 332 E C -0.716 175.913 176.600 0.049 0.000 1.047 332 E CA 0.290 56.717 56.400 0.044 0.000 0.867 332 E CB 0.197 29.912 29.700 0.025 0.000 0.858 332 E HN 0.154 nan 8.360 nan 0.000 0.513 343 c N 1.997 120.609 118.600 0.020 0.000 3.899 343 c HA -0.203 4.373 4.570 0.009 0.000 0.297 343 c C 1.672 175.772 174.090 0.017 0.000 1.371 343 c CA 1.530 57.872 56.329 0.021 0.000 2.088 343 c CB -2.045 40.480 42.510 0.026 0.000 1.346 343 c HN 0.653 nan 8.230 nan 0.000 0.658 344 K N 0.511 120.919 120.400 0.013 0.000 2.262 344 K HA 0.141 4.467 4.320 0.009 0.000 0.200 344 K C 0.910 177.511 176.600 0.002 0.000 1.049 344 K CA 1.575 57.867 56.287 0.008 0.000 0.979 344 K CB 0.180 32.683 32.500 0.006 0.000 0.773 344 K HN 0.766 nan 8.250 nan 0.000 0.474 345 K N 0.417 120.818 120.400 0.002 0.000 2.575 345 K HA 0.452 4.778 4.320 0.009 0.000 0.279 345 K C -1.285 175.313 176.600 -0.003 0.000 0.969 345 K CA -0.682 55.599 56.287 -0.011 0.000 0.868 345 K CB 1.842 34.331 32.500 -0.018 0.000 1.457 345 K HN -0.133 nan 8.250 nan 0.000 0.426 346 V N 2.991 122.896 119.914 -0.014 0.000 2.378 346 V HA 0.473 4.598 4.120 0.009 0.000 0.288 346 V C -0.219 175.886 176.094 0.018 0.000 1.016 346 V CA -0.849 61.463 62.300 0.020 0.000 0.840 346 V CB 1.087 32.949 31.823 0.065 0.000 0.994 346 V HN 0.762 nan 8.190 nan 0.000 0.431 347 R N 4.605 125.117 120.500 0.021 0.000 2.210 347 R HA 0.222 4.567 4.340 0.009 0.000 0.338 347 R C -0.414 175.921 176.300 0.057 0.000 1.062 347 R CA -0.255 55.861 56.100 0.027 0.000 0.902 347 R CB 0.950 31.252 30.300 0.003 0.000 1.050 347 R HN 0.691 nan 8.270 nan 0.000 0.461 348 W N 3.909 125.148 121.300 -0.101 0.000 2.251 348 W HA 0.181 4.847 4.660 0.010 0.000 0.329 348 W C -0.439 176.060 176.519 -0.034 0.000 1.234 348 W CA -0.723 56.585 57.345 -0.061 0.000 1.228 348 W CB 1.477 30.896 29.460 -0.068 0.000 1.135 348 W HN 0.419 nan 8.180 nan 0.000 0.576 349 c N 5.854 124.336 118.600 -0.197 0.000 2.239 349 c HA 0.693 5.269 4.570 0.009 0.000 0.323 349 c C 0.352 174.479 174.090 0.062 0.000 1.205 349 c CA -0.325 55.959 56.329 -0.075 0.000 1.584 349 c CB -1.191 41.222 42.510 -0.162 0.000 2.201 349 c HN 0.547 nan 8.230 nan 0.000 0.475 350 A N 6.065 128.971 122.820 0.144 0.000 2.303 350 A HA 0.821 5.146 4.320 0.009 0.000 0.317 350 A C -0.587 177.035 177.584 0.063 0.000 1.149 350 A CA -0.463 51.666 52.037 0.154 0.000 0.822 350 A CB 0.481 19.576 19.000 0.157 0.000 1.131 350 A HN 0.841 nan 8.150 nan 0.000 0.493 351 I N 2.360 122.959 120.570 0.048 0.000 2.359 351 I HA 0.549 4.724 4.170 0.009 0.000 0.284 351 I C 0.795 176.903 176.117 -0.015 0.000 1.018 351 I CA 0.348 61.649 61.300 0.001 0.000 1.173 351 I CB 0.977 38.969 38.000 -0.014 0.000 1.326 351 I HN 1.141 nan 8.210 nan 0.000 0.462 352 G N 3.742 112.529 108.800 -0.021 0.000 2.828 352 G HA2 -0.306 3.660 3.960 0.009 0.000 0.463 352 G HA3 -0.306 3.660 3.960 0.009 0.000 0.463 352 G C 0.315 175.231 174.900 0.025 0.000 1.394 352 G CA 0.396 45.474 45.100 -0.036 0.000 0.862 352 G HN 0.821 nan 8.290 nan 0.000 0.540 353 H N 0.224 119.259 119.070 -0.059 0.000 2.321 353 H HA -0.008 4.554 4.556 0.010 0.000 0.300 353 H C 2.468 177.801 175.328 0.008 0.000 1.087 353 H CA 2.767 58.811 56.048 -0.007 0.000 1.319 353 H CB 0.010 29.779 29.762 0.013 0.000 1.379 353 H HN 0.683 nan 8.280 nan 0.000 0.501 354 E N 0.121 120.260 120.200 -0.102 0.000 2.072 354 E HA -0.142 4.214 4.350 0.009 0.000 0.191 354 E C 2.208 178.752 176.600 -0.093 0.000 0.985 354 E CA 1.128 57.441 56.400 -0.146 0.000 0.801 354 E CB 0.018 29.716 29.700 -0.004 0.000 0.750 354 E HN 0.641 nan 8.360 nan 0.000 0.452 355 E N 0.245 120.429 120.200 -0.026 0.000 2.106 355 E HA -0.134 4.222 4.350 0.009 0.000 0.192 355 E C 2.080 178.689 176.600 0.014 0.000 0.984 355 E CA 1.220 57.632 56.400 0.021 0.000 0.806 355 E CB -0.043 29.695 29.700 0.064 0.000 0.750 355 E HN 0.193 nan 8.360 nan 0.000 0.458 356 T N 1.190 115.732 114.554 -0.020 0.000 2.746 356 T HA -0.180 4.176 4.350 0.009 0.000 0.267 356 T C 1.870 176.537 174.700 -0.054 0.000 1.039 356 T CA 1.049 63.141 62.100 -0.013 0.000 1.142 356 T CB -0.119 68.748 68.868 -0.000 0.000 0.866 356 T HN 0.178 nan 8.240 nan 0.000 0.444 357 Q N 0.403 120.111 119.800 -0.153 0.000 2.084 357 Q HA -0.124 4.221 4.340 0.009 0.000 0.202 357 Q C 2.410 178.385 176.000 -0.042 0.000 0.978 357 Q CA 1.303 57.025 55.803 -0.135 0.000 0.844 357 Q CB -0.122 28.468 28.738 -0.248 0.000 0.898 357 Q HN 0.438 nan 8.270 nan 0.000 0.426 358 K N 0.023 120.420 120.400 -0.005 0.000 2.097 358 K HA -0.157 4.168 4.320 0.009 0.000 0.205 358 K C 2.214 178.876 176.600 0.104 0.000 1.050 358 K CA 1.206 57.542 56.287 0.082 0.000 0.938 358 K CB -0.297 32.252 32.500 0.081 0.000 0.718 358 K HN 0.226 nan 8.250 nan 0.000 0.442 359 c N 1.661 120.312 118.600 0.084 0.000 2.432 359 c HA -0.130 4.446 4.570 0.009 0.000 0.277 359 c C 2.091 176.187 174.090 0.010 0.000 1.249 359 c CA 1.370 57.764 56.329 0.108 0.000 1.725 359 c CB -0.877 41.698 42.510 0.108 0.000 2.028 359 c HN 0.563 nan 8.230 nan 0.000 0.477 360 D N 0.505 120.891 120.400 -0.024 0.000 2.123 360 D HA -0.084 4.562 4.640 0.009 0.000 0.196 360 D C 2.384 178.612 176.300 -0.120 0.000 0.992 360 D CA 1.734 55.697 54.000 -0.061 0.000 0.833 360 D CB -0.579 40.196 40.800 -0.042 0.000 0.954 360 D HN 0.614 nan 8.370 nan 0.000 0.455 361 A N 0.471 123.208 122.820 -0.139 0.000 1.908 361 A HA -0.195 4.131 4.320 0.009 0.000 0.218 361 A C 2.105 179.316 177.584 -0.621 0.000 1.181 361 A CA 1.331 53.211 52.037 -0.262 0.000 0.627 361 A CB -1.039 17.886 19.000 -0.125 0.000 0.818 361 A HN 0.350 nan 8.150 nan 0.000 0.445 362 W N 0.829 121.524 121.300 -1.009 0.000 2.381 362 W HA -0.093 4.573 4.660 0.010 0.000 0.301 362 W C 2.644 178.763 176.519 -0.666 0.000 1.205 362 W CA 1.071 57.621 57.345 -1.325 0.000 1.285 362 W CB -0.964 28.023 29.460 -0.789 0.000 1.133 362 W HN 0.334 nan 8.180 nan 0.000 0.521 363 S N 0.333 115.883 115.700 -0.250 0.000 2.359 363 S HA -0.243 4.232 4.470 0.009 0.000 0.223 363 S C 2.059 176.551 174.600 -0.180 0.000 1.039 363 S CA 2.175 60.235 58.200 -0.233 0.000 1.042 363 S CB -0.540 62.564 63.200 -0.160 0.000 0.915 363 S HN 0.240 nan 8.310 nan 0.000 0.439 364 I N 1.760 122.223 120.570 -0.178 0.000 2.226 364 I HA -0.183 3.993 4.170 0.009 0.000 0.245 364 I C 2.355 178.398 176.117 -0.124 0.000 1.100 364 I CA 1.199 62.422 61.300 -0.129 0.000 1.374 364 I CB -0.397 37.537 38.000 -0.110 0.000 1.057 364 I HN 0.377 nan 8.210 nan 0.000 0.413 365 N N 0.288 118.851 118.700 -0.228 0.000 2.331 365 N HA -0.115 4.630 4.740 0.009 0.000 0.180 365 N C 1.866 177.397 175.510 0.035 0.000 1.019 365 N CA 1.621 54.565 53.050 -0.178 0.000 0.881 365 N CB 0.002 38.188 38.487 -0.502 0.000 0.972 365 N HN 0.373 nan 8.380 nan 0.000 0.435 366 S N -0.342 115.366 115.700 0.013 0.000 2.603 366 S HA 0.142 4.618 4.470 0.009 0.000 0.220 366 S C 1.306 175.952 174.600 0.078 0.000 0.967 366 S CA 0.506 58.808 58.200 0.171 0.000 0.920 366 S CB 0.141 63.367 63.200 0.044 0.000 0.773 366 S HN 0.346 nan 8.310 nan 0.000 0.529 367 G N 0.723 109.537 108.800 0.024 0.000 2.225 367 G HA2 0.115 4.081 3.960 0.009 0.000 0.264 367 G HA3 0.115 4.081 3.960 0.009 0.000 0.264 367 G C 1.034 175.926 174.900 -0.014 0.000 1.060 367 G CA 0.288 45.395 45.100 0.012 0.000 0.833 367 G HN 1.814 nan 8.290 nan 0.000 0.498 368 G N -1.054 107.717 108.800 -0.048 0.000 2.184 368 G HA2 -0.333 3.633 3.960 0.009 0.000 0.264 368 G HA3 -0.333 3.633 3.960 0.009 0.000 0.264 368 G C 1.326 176.184 174.900 -0.070 0.000 0.975 368 G CA 1.360 46.423 45.100 -0.062 0.000 0.642 368 G HN 0.772 nan 8.290 nan 0.000 0.536 369 K N -0.494 119.866 120.400 -0.067 0.000 2.148 369 K HA 0.082 4.408 4.320 0.009 0.000 0.204 369 K C 1.263 177.777 176.600 -0.144 0.000 1.050 369 K CA 0.807 57.054 56.287 -0.068 0.000 0.942 369 K CB -0.041 32.441 32.500 -0.031 0.000 0.724 369 K HN 0.455 nan 8.250 nan 0.000 0.446 370 I N 1.666 122.074 120.570 -0.271 0.000 2.392 370 I HA 0.211 4.386 4.170 0.009 0.000 0.295 370 I C 0.201 176.169 176.117 -0.248 0.000 0.985 370 I CA -0.470 60.594 61.300 -0.393 0.000 1.221 370 I CB 1.395 38.818 38.000 -0.963 0.000 1.366 370 I HN -0.006 nan 8.210 nan 0.000 0.467 371 E N 3.654 123.766 120.200 -0.147 0.000 2.281 371 E HA 0.574 4.929 4.350 0.009 0.000 0.262 371 E C -1.420 175.164 176.600 -0.027 0.000 0.933 371 E CA -0.555 55.798 56.400 -0.078 0.000 0.809 371 E CB 2.430 32.105 29.700 -0.041 0.000 1.242 371 E HN 0.518 nan 8.360 nan 0.000 0.418 372 c N 1.617 120.215 118.600 -0.003 0.000 2.369 372 c HA 0.608 5.183 4.570 0.009 0.000 0.322 372 c C -0.492 173.622 174.090 0.040 0.000 1.258 372 c CA -0.674 55.681 56.329 0.045 0.000 1.487 372 c CB 0.604 43.133 42.510 0.031 0.000 2.165 372 c HN 0.363 nan 8.230 nan 0.000 0.483 373 V N 3.010 122.957 119.914 0.055 0.000 2.604 373 V HA 0.610 4.735 4.120 0.009 0.000 0.305 373 V C -0.055 176.060 176.094 0.034 0.000 1.043 373 V CA -0.117 62.200 62.300 0.029 0.000 0.888 373 V CB 2.320 34.149 31.823 0.009 0.000 0.995 373 V HN 0.955 nan 8.190 nan 0.000 0.429 374 S N 2.302 118.016 115.700 0.024 0.000 2.537 374 S HA 0.935 5.411 4.470 0.009 0.000 0.301 374 S C -0.195 174.409 174.600 0.005 0.000 1.092 374 S CA -0.229 57.985 58.200 0.023 0.000 1.048 374 S CB 1.816 65.035 63.200 0.031 0.000 1.053 374 S HN 1.155 nan 8.310 nan 0.000 0.501 375 A N 1.316 124.134 122.820 -0.003 0.000 2.609 375 A HA 0.700 5.026 4.320 0.009 0.000 0.291 375 A C -0.072 177.498 177.584 -0.023 0.000 1.096 375 A CA -0.503 51.523 52.037 -0.019 0.000 0.684 375 A CB 0.873 19.849 19.000 -0.038 0.000 1.282 375 A HN 0.619 nan 8.150 nan 0.000 0.412 376 E N -0.095 120.087 120.200 -0.029 0.000 2.447 376 E HA 0.058 4.414 4.350 0.009 0.000 0.195 376 E C -0.293 176.266 176.600 -0.069 0.000 1.028 376 E CA 0.864 57.245 56.400 -0.031 0.000 0.876 376 E CB 0.135 29.833 29.700 -0.004 0.000 0.885 376 E HN 0.699 nan 8.360 nan 0.000 0.500 377 N N -2.710 115.939 118.700 -0.086 0.000 3.039 377 N HA 0.122 4.868 4.740 0.009 0.000 0.257 377 N C 0.412 175.832 175.510 -0.151 0.000 1.497 377 N CA -0.433 52.542 53.050 -0.124 0.000 0.861 377 N CB 0.417 38.831 38.487 -0.122 0.000 1.479 377 N HN -0.403 nan 8.380 nan 0.000 0.547 378 T N -0.201 114.219 114.554 -0.222 0.000 2.708 378 T HA -0.103 4.253 4.350 0.009 0.000 0.266 378 T C 0.995 175.514 174.700 -0.301 0.000 1.037 378 T CA 1.677 63.571 62.100 -0.342 0.000 1.146 378 T CB -0.405 68.013 68.868 -0.750 0.000 0.865 378 T HN 0.544 nan 8.240 nan 0.000 0.435 379 E N 0.865 120.911 120.200 -0.255 0.000 2.110 379 E HA -0.162 4.194 4.350 0.009 0.000 0.193 379 E C 1.991 178.518 176.600 -0.121 0.000 0.988 379 E CA 1.131 57.428 56.400 -0.171 0.000 0.804 379 E CB -0.154 29.477 29.700 -0.115 0.000 0.745 379 E HN 0.420 nan 8.360 nan 0.000 0.458 380 D N 0.269 120.605 120.400 -0.107 0.000 2.144 380 D HA -0.113 4.532 4.640 0.009 0.000 0.200 380 D C 1.950 178.201 176.300 -0.081 0.000 0.978 380 D CA 0.631 54.584 54.000 -0.078 0.000 0.833 380 D CB -0.439 40.322 40.800 -0.064 0.000 0.961 380 D HN 0.174 nan 8.370 nan 0.000 0.470 381 c N 0.362 118.900 118.600 -0.104 0.000 2.429 381 c HA -0.073 4.503 4.570 0.009 0.000 0.277 381 c C 2.829 176.847 174.090 -0.120 0.000 1.262 381 c CA 0.129 56.392 56.329 -0.110 0.000 1.733 381 c CB -0.913 41.522 42.510 -0.126 0.000 2.010 381 c HN 0.335 nan 8.230 nan 0.000 0.483 382 I N 1.033 121.523 120.570 -0.133 0.000 2.226 382 I HA -0.202 3.973 4.170 0.009 0.000 0.245 382 I C 2.704 178.768 176.117 -0.089 0.000 1.100 382 I CA 1.574 62.800 61.300 -0.122 0.000 1.374 382 I CB -0.492 37.433 38.000 -0.126 0.000 1.057 382 I HN 0.291 nan 8.210 nan 0.000 0.413 383 A N 0.730 123.506 122.820 -0.072 0.000 1.933 383 A HA -0.218 4.108 4.320 0.009 0.000 0.218 383 A C 2.293 179.861 177.584 -0.026 0.000 1.175 383 A CA 1.568 53.580 52.037 -0.041 0.000 0.628 383 A CB -0.414 18.567 19.000 -0.033 0.000 0.814 383 A HN 0.309 nan 8.150 nan 0.000 0.444 384 K N -0.449 119.928 120.400 -0.039 0.000 2.097 384 K HA -0.057 4.268 4.320 0.009 0.000 0.206 384 K C 1.747 178.332 176.600 -0.024 0.000 1.049 384 K CA 1.488 57.760 56.287 -0.024 0.000 0.933 384 K CB -0.350 32.129 32.500 -0.036 0.000 0.717 384 K HN 0.549 nan 8.250 nan 0.000 0.442 385 I N 0.442 120.975 120.570 -0.062 0.000 2.142 385 I HA -0.278 3.898 4.170 0.009 0.000 0.240 385 I C 2.161 178.237 176.117 -0.069 0.000 1.078 385 I CA 1.037 62.288 61.300 -0.082 0.000 1.343 385 I CB -0.311 37.609 38.000 -0.134 0.000 1.046 385 I HN -0.076 nan 8.210 nan 0.000 0.405 386 V N 0.958 120.834 119.914 -0.064 0.000 2.332 386 V HA -0.308 3.817 4.120 0.009 0.000 0.248 386 V C 2.205 178.342 176.094 0.073 0.000 1.055 386 V CA 1.946 64.213 62.300 -0.054 0.000 1.038 386 V CB -0.750 31.058 31.823 -0.026 0.000 0.651 386 V HN 0.415 nan 8.190 nan 0.000 0.450 387 K N -0.280 120.187 120.400 0.112 0.000 2.432 387 K HA 0.214 4.540 4.320 0.009 0.000 0.196 387 K C 1.442 178.201 176.600 0.265 0.000 1.038 387 K CA 0.725 57.134 56.287 0.203 0.000 0.986 387 K CB 0.163 32.729 32.500 0.109 0.000 0.782 387 K HN 0.597 nan 8.250 nan 0.000 0.485 388 G N 1.554 110.494 108.800 0.234 0.000 2.159 388 G HA2 -0.256 3.709 3.960 0.009 0.000 0.227 388 G HA3 -0.256 3.709 3.960 0.009 0.000 0.227 388 G C 0.444 175.404 174.900 0.099 0.000 0.986 388 G CA 0.201 45.446 45.100 0.241 0.000 0.651 388 G HN 0.415 nan 8.290 nan 0.000 0.523 389 E N -0.209 120.025 120.200 0.057 0.000 2.385 389 E HA 0.493 4.849 4.350 0.009 0.000 0.194 389 E C 1.292 177.894 176.600 0.004 0.000 1.013 389 E CA 0.776 57.191 56.400 0.024 0.000 0.866 389 E CB 0.434 30.143 29.700 0.015 0.000 0.832 389 E HN 0.842 nan 8.360 nan 0.000 0.500 390 A N 0.304 123.117 122.820 -0.012 0.000 2.530 390 A HA 0.392 4.718 4.320 0.009 0.000 0.288 390 A C -0.701 176.847 177.584 -0.061 0.000 1.172 390 A CA -0.704 51.307 52.037 -0.043 0.000 0.733 390 A CB 1.292 20.246 19.000 -0.077 0.000 1.320 390 A HN -0.103 nan 8.150 nan 0.000 0.419 391 D N -0.662 119.682 120.400 -0.093 0.000 2.470 391 D HA 0.454 5.100 4.640 0.009 0.000 0.238 391 D C 0.418 176.602 176.300 -0.193 0.000 1.054 391 D CA 1.436 55.373 54.000 -0.104 0.000 0.896 391 D CB 1.059 41.827 40.800 -0.053 0.000 1.118 391 D HN 0.869 nan 8.370 nan 0.000 0.497 392 A N 0.632 123.240 122.820 -0.353 0.000 2.608 392 A HA 0.737 5.062 4.320 0.009 0.000 0.292 392 A C -1.312 175.592 177.584 -1.135 0.000 1.066 392 A CA -0.712 50.967 52.037 -0.595 0.000 0.676 392 A CB 1.646 20.316 19.000 -0.550 0.000 1.277 392 A HN 0.075 nan 8.150 nan 0.000 0.413 393 M N -0.604 118.405 119.600 -0.985 0.000 2.790 393 M HA 0.694 5.180 4.480 0.009 0.000 0.272 393 M C -0.982 175.161 176.300 -0.262 0.000 1.168 393 M CA -0.460 54.290 55.300 -0.917 0.000 0.829 393 M CB 1.512 33.812 32.600 -0.500 0.000 1.675 393 M HN 0.867 nan 8.290 nan 0.000 0.505 394 S N 1.094 116.837 115.700 0.071 0.000 2.489 394 S HA 0.854 5.329 4.470 0.009 0.000 0.291 394 S C -1.104 173.600 174.600 0.173 0.000 1.151 394 S CA -0.644 57.694 58.200 0.230 0.000 1.082 394 S CB 0.608 64.064 63.200 0.425 0.000 1.019 394 S HN 0.603 nan 8.310 nan 0.000 0.492 395 L N 3.020 124.344 121.223 0.167 0.000 2.388 395 L HA 0.481 4.826 4.340 0.009 0.000 0.264 395 L C -0.404 176.430 176.870 -0.060 0.000 0.998 395 L CA -1.105 53.809 54.840 0.124 0.000 0.817 395 L CB 2.091 44.235 42.059 0.141 0.000 1.338 395 L HN 0.626 nan 8.230 nan 0.000 0.414 396 D N 0.788 120.990 120.400 -0.329 0.000 2.382 396 D HA 0.130 4.776 4.640 0.009 0.000 0.240 396 D C 1.296 177.535 176.300 -0.100 0.000 1.146 396 D CA 0.673 54.234 54.000 -0.733 0.000 0.897 396 D CB 1.704 42.132 40.800 -0.619 0.000 1.197 396 D HN 0.614 nan 8.370 nan 0.000 0.432 397 G N 1.926 110.753 108.800 0.045 0.000 2.469 397 G HA2 -0.254 3.712 3.960 0.009 0.000 0.220 397 G HA3 -0.254 3.712 3.960 0.009 0.000 0.220 397 G C 1.414 176.478 174.900 0.274 0.000 1.136 397 G CA 0.792 45.972 45.100 0.134 0.000 0.759 397 G HN 0.635 nan 8.290 nan 0.000 0.562 398 G N -0.155 108.755 108.800 0.183 0.000 2.440 398 G HA2 -0.207 3.759 3.960 0.009 0.000 0.218 398 G HA3 -0.207 3.759 3.960 0.009 0.000 0.218 398 G C 1.605 176.651 174.900 0.243 0.000 1.154 398 G CA 0.905 46.126 45.100 0.202 0.000 0.767 398 G HN 0.574 nan 8.290 nan 0.000 0.552 399 Y N 0.021 120.419 120.300 0.164 0.000 2.420 399 Y HA 0.168 4.723 4.550 0.009 0.000 0.292 399 Y C 2.718 178.678 175.900 0.099 0.000 1.119 399 Y CA -0.301 57.862 58.100 0.104 0.000 1.229 399 Y CB 0.038 38.520 38.460 0.036 0.000 1.026 399 Y HN 0.103 nan 8.280 nan 0.000 0.554 400 I N -0.662 120.077 120.570 0.283 0.000 2.208 400 I HA -0.365 3.811 4.170 0.009 0.000 0.245 400 I C 2.319 178.557 176.117 0.203 0.000 1.097 400 I CA 1.539 62.968 61.300 0.215 0.000 1.363 400 I CB -0.453 37.710 38.000 0.271 0.000 1.051 400 I HN 0.257 nan 8.210 nan 0.000 0.413 401 Y N 1.812 122.244 120.300 0.220 0.000 2.097 401 Y HA -0.286 4.271 4.550 0.011 0.000 0.282 401 Y C 2.396 178.286 175.900 -0.016 0.000 1.152 401 Y CA 1.841 60.057 58.100 0.193 0.000 1.136 401 Y CB -0.320 38.296 38.460 0.260 0.000 0.975 401 Y HN 0.003 nan 8.280 nan 0.000 0.498 402 I N 0.145 120.791 120.570 0.127 0.000 2.163 402 I HA -0.369 3.807 4.170 0.009 0.000 0.243 402 I C 2.675 178.699 176.117 -0.156 0.000 1.085 402 I CA 1.401 62.694 61.300 -0.012 0.000 1.347 402 I CB -0.820 37.260 38.000 0.133 0.000 1.044 402 I HN 0.363 nan 8.210 nan 0.000 0.408 403 A N 0.827 123.580 122.820 -0.113 0.000 1.933 403 A HA -0.106 4.219 4.320 0.009 0.000 0.218 403 A C 2.436 179.840 177.584 -0.298 0.000 1.175 403 A CA 1.810 53.753 52.037 -0.156 0.000 0.628 403 A CB -1.379 17.565 19.000 -0.093 0.000 0.814 403 A HN 0.475 nan 8.150 nan 0.000 0.444 404 G N -0.411 108.075 108.800 -0.524 0.000 2.422 404 G HA2 -0.186 3.780 3.960 0.009 0.000 0.218 404 G HA3 -0.186 3.780 3.960 0.009 0.000 0.218 404 G C 1.581 175.888 174.900 -0.988 0.000 1.146 404 G CA 0.916 45.406 45.100 -1.017 0.000 0.769 404 G HN 0.383 nan 8.290 nan 0.000 0.547 405 K N 0.089 119.997 120.400 -0.820 0.000 2.211 405 K HA -0.005 4.321 4.320 0.009 0.000 0.203 405 K C 2.177 178.643 176.600 -0.223 0.000 1.050 405 K CA 0.517 56.543 56.287 -0.434 0.000 0.945 405 K CB -0.585 31.706 32.500 -0.349 0.000 0.732 405 K HN 0.348 nan 8.250 nan 0.000 0.451 406 c N 0.043 118.517 118.600 -0.210 0.000 2.576 406 c HA 0.190 4.766 4.570 0.009 0.000 0.267 406 c C 1.488 175.514 174.090 -0.107 0.000 1.364 406 c CA 0.391 56.652 56.329 -0.112 0.000 1.723 406 c CB -0.955 41.498 42.510 -0.095 0.000 1.778 406 c HN 0.704 nan 8.230 nan 0.000 0.572 407 G N 0.326 109.038 108.800 -0.146 0.000 2.159 407 G HA2 -0.181 3.785 3.960 0.009 0.000 0.227 407 G HA3 -0.181 3.785 3.960 0.009 0.000 0.227 407 G C 0.029 174.865 174.900 -0.107 0.000 0.986 407 G CA -0.251 44.790 45.100 -0.098 0.000 0.651 407 G HN 0.482 nan 8.290 nan 0.000 0.523 408 L N 0.092 121.234 121.223 -0.135 0.000 2.456 408 L HA 0.710 5.056 4.340 0.009 0.000 0.257 408 L C 0.585 177.416 176.870 -0.064 0.000 1.162 408 L CA -0.920 53.853 54.840 -0.112 0.000 0.808 408 L CB 1.243 43.229 42.059 -0.121 0.000 1.136 408 L HN -0.053 nan 8.230 nan 0.000 0.466 409 V N 0.679 120.567 119.914 -0.042 0.000 2.709 409 V HA 0.352 4.477 4.120 0.009 0.000 0.308 409 V C -2.382 173.696 176.094 -0.027 0.000 1.062 409 V CA -1.739 60.562 62.300 0.002 0.000 0.901 409 V CB 2.142 33.966 31.823 0.001 0.000 1.003 409 V HN 0.600 nan 8.190 nan 0.000 0.425 410 P HA 0.223 nan 4.420 nan 0.000 0.271 410 P C 0.266 177.513 177.300 -0.088 0.000 1.220 410 P CA 0.241 63.254 63.100 -0.144 0.000 0.768 410 P CB 1.150 32.643 31.700 -0.345 0.000 0.848 411 V N 3.320 123.199 119.914 -0.059 0.000 2.743 411 V HA 0.210 4.335 4.120 0.009 0.000 0.237 411 V C 0.739 176.851 176.094 0.029 0.000 1.113 411 V CA 0.861 63.164 62.300 0.005 0.000 1.141 411 V CB -0.207 31.641 31.823 0.042 0.000 0.873 411 V HN 0.363 nan 8.190 nan 0.000 0.486 412 L N -0.419 120.830 121.223 0.044 0.000 2.434 412 L HA 0.801 5.146 4.340 0.009 0.000 0.260 412 L C -0.745 176.159 176.870 0.056 0.000 0.983 412 L CA -0.629 54.253 54.840 0.070 0.000 0.820 412 L CB 2.105 44.241 42.059 0.130 0.000 1.361 412 L HN 0.149 nan 8.230 nan 0.000 0.410 413 A N 1.363 124.220 122.820 0.062 0.000 2.303 413 A HA 0.570 4.896 4.320 0.009 0.000 0.317 413 A C -0.425 177.175 177.584 0.027 0.000 1.149 413 A CA -0.460 51.632 52.037 0.091 0.000 0.822 413 A CB 0.600 19.718 19.000 0.195 0.000 1.131 413 A HN 0.748 nan 8.150 nan 0.000 0.493 414 E N 1.344 121.557 120.200 0.021 0.000 2.338 414 E HA 0.149 4.505 4.350 0.009 0.000 0.272 414 E C -0.710 175.554 176.600 -0.561 0.000 1.029 414 E CA -0.223 56.048 56.400 -0.216 0.000 0.872 414 E CB 0.559 30.200 29.700 -0.099 0.000 1.015 414 E HN 0.541 nan 8.360 nan 0.000 0.417 415 N N 1.441 119.772 118.700 -0.614 0.000 2.405 415 N HA 0.228 4.973 4.740 0.009 0.000 0.299 415 N C -0.613 174.464 175.510 -0.722 0.000 1.075 415 N CA -0.244 52.430 53.050 -0.628 0.000 0.884 415 N CB 0.822 39.129 38.487 -0.300 0.000 1.194 415 N HN 0.469 nan 8.380 nan 0.000 0.491 416 Y N -0.192 120.043 120.300 -0.108 0.000 2.452 416 Y HA 0.307 4.863 4.550 0.010 0.000 0.262 416 Y C 1.411 177.244 175.900 -0.110 0.000 1.089 416 Y CA -0.250 57.767 58.100 -0.137 0.000 1.262 416 Y CB 0.858 39.224 38.460 -0.158 0.000 1.236 416 Y HN 0.214 nan 8.280 nan 0.000 0.512 417 K N 0.160 120.574 120.400 0.024 0.000 2.335 417 K HA 0.233 4.558 4.320 0.009 0.000 0.195 417 K C 0.121 176.705 176.600 -0.027 0.000 1.058 417 K CA 0.504 56.793 56.287 0.003 0.000 0.988 417 K CB 0.229 32.733 32.500 0.007 0.000 0.880 417 K HN -0.029 nan 8.250 nan 0.000 0.513 418 T N 3.208 117.733 114.554 -0.048 0.000 2.733 418 T HA 0.252 4.608 4.350 0.009 0.000 0.294 418 T C -0.136 174.532 174.700 -0.053 0.000 0.956 418 T CA -0.341 61.730 62.100 -0.047 0.000 0.987 418 T CB 1.170 70.007 68.868 -0.052 0.000 0.920 418 T HN 0.027 nan 8.240 nan 0.000 0.470 419 E N 1.744 121.920 120.200 -0.039 0.000 2.222 419 E HA 0.648 5.003 4.350 0.009 0.000 0.272 419 E C 0.789 177.374 176.600 -0.025 0.000 0.982 419 E CA -0.889 55.490 56.400 -0.035 0.000 0.842 419 E CB 1.560 31.244 29.700 -0.027 0.000 1.144 419 E HN 0.845 nan 8.360 nan 0.000 0.397 420 G N 0.624 109.414 108.800 -0.016 0.000 2.587 420 G HA2 -0.273 3.693 3.960 0.009 0.000 0.212 420 G HA3 -0.273 3.693 3.960 0.009 0.000 0.212 420 G C 0.657 175.549 174.900 -0.013 0.000 1.327 420 G CA -0.013 45.081 45.100 -0.010 0.000 0.898 420 G HN 0.610 nan 8.290 nan 0.000 0.551 421 E N -0.311 119.879 120.200 -0.017 0.000 2.208 421 E HA -0.039 4.317 4.350 0.009 0.000 0.193 421 E C 2.033 178.621 176.600 -0.020 0.000 0.988 421 E CA 1.758 58.144 56.400 -0.022 0.000 0.828 421 E CB -0.440 29.243 29.700 -0.029 0.000 0.763 421 E HN 0.547 nan 8.360 nan 0.000 0.478 422 N N -0.169 118.520 118.700 -0.019 0.000 2.467 422 N HA -0.043 4.702 4.740 0.009 0.000 0.184 422 N C 1.714 177.211 175.510 -0.022 0.000 1.106 422 N CA 0.800 53.839 53.050 -0.018 0.000 0.892 422 N CB -0.542 37.934 38.487 -0.017 0.000 0.969 422 N HN 0.578 nan 8.380 nan 0.000 0.454 423 c N 0.458 119.041 118.600 -0.029 0.000 2.398 423 c HA -0.104 4.472 4.570 0.009 0.000 0.276 423 c C 2.522 176.588 174.090 -0.040 0.000 1.222 423 c CA 0.809 57.111 56.329 -0.044 0.000 1.746 423 c CB -0.924 41.551 42.510 -0.058 0.000 2.039 423 c HN 0.244 nan 8.230 nan 0.000 0.470 424 V N 0.941 120.840 119.914 -0.024 0.000 2.720 424 V HA -0.158 3.967 4.120 0.009 0.000 0.256 424 V C 1.596 177.689 176.094 -0.003 0.000 1.082 424 V CA 2.348 64.641 62.300 -0.011 0.000 1.101 424 V CB -0.959 30.867 31.823 0.004 0.000 0.693 424 V HN 0.651 nan 8.190 nan 0.000 0.479 425 N N -1.267 117.429 118.700 -0.006 0.000 2.214 425 N HA 0.089 4.834 4.740 0.009 0.000 0.214 425 N C -0.152 175.356 175.510 -0.003 0.000 1.132 425 N CA -0.067 52.983 53.050 0.000 0.000 0.856 425 N CB 0.693 39.179 38.487 -0.001 0.000 1.020 425 N HN 0.284 nan 8.380 nan 0.000 0.509 426 T N 2.540 117.087 114.554 -0.012 0.000 2.772 426 T HA 0.314 4.669 4.350 0.009 0.000 0.288 426 T C -2.641 172.051 174.700 -0.013 0.000 0.994 426 T CA -1.416 60.676 62.100 -0.014 0.000 0.951 426 T CB 1.905 70.759 68.868 -0.023 0.000 0.933 426 T HN -0.056 nan 8.240 nan 0.000 0.447 427 P HA 0.370 nan 4.420 nan 0.000 0.280 427 P C -0.503 176.788 177.300 -0.014 0.000 1.244 427 P CA -0.468 62.633 63.100 0.002 0.000 0.784 427 P CB 1.164 32.869 31.700 0.009 0.000 0.913 428 E N 1.307 121.496 120.200 -0.018 0.000 2.221 428 E HA 0.150 4.506 4.350 0.009 0.000 0.268 428 E C 0.938 177.519 176.600 -0.032 0.000 0.933 428 E CA -0.783 55.604 56.400 -0.023 0.000 0.809 428 E CB 1.938 31.624 29.700 -0.023 0.000 1.190 428 E HN 0.414 nan 8.360 nan 0.000 0.406 429 K N 1.274 121.653 120.400 -0.035 0.000 2.103 429 K HA 0.026 4.352 4.320 0.009 0.000 0.204 429 K C 0.461 177.016 176.600 -0.075 0.000 1.052 429 K CA 1.358 57.610 56.287 -0.059 0.000 0.945 429 K CB 0.138 32.606 32.500 -0.053 0.000 0.722 429 K HN 0.579 nan 8.250 nan 0.000 0.443 430 G N -0.667 108.116 108.800 -0.029 0.000 2.361 430 G HA2 0.103 4.069 3.960 0.009 0.000 0.305 430 G HA3 0.103 4.069 3.960 0.009 0.000 0.305 430 G C -1.416 173.514 174.900 0.050 0.000 1.367 430 G CA -0.517 44.573 45.100 -0.018 0.000 0.951 430 G HN 0.275 nan 8.290 nan 0.000 0.615 431 Y N -1.264 119.028 120.300 -0.014 0.000 2.593 431 Y HA 0.885 5.440 4.550 0.009 0.000 0.330 431 Y C 0.079 175.902 175.900 -0.129 0.000 1.223 431 Y CA -1.665 56.389 58.100 -0.077 0.000 1.350 431 Y CB 0.933 39.312 38.460 -0.135 0.000 1.499 431 Y HN 0.488 nan 8.280 nan 0.000 0.554 432 L N 1.722 122.920 121.223 -0.041 0.000 2.346 432 L HA 0.733 5.078 4.340 0.009 0.000 0.276 432 L C -0.422 176.436 176.870 -0.020 0.000 1.006 432 L CA -1.434 53.310 54.840 -0.161 0.000 0.817 432 L CB 1.895 43.819 42.059 -0.223 0.000 1.272 432 L HN 0.902 nan 8.230 nan 0.000 0.421 433 A N 3.551 126.355 122.820 -0.027 0.000 2.309 433 A HA 0.674 4.999 4.320 0.009 0.000 0.290 433 A C -0.226 177.419 177.584 0.102 0.000 1.206 433 A CA -0.403 51.684 52.037 0.083 0.000 0.850 433 A CB 0.584 19.630 19.000 0.077 0.000 1.118 433 A HN 0.556 nan 8.150 nan 0.000 0.523 434 V N -0.933 119.052 119.914 0.120 0.000 3.155 434 V HA 0.982 5.108 4.120 0.009 0.000 0.313 434 V C -0.050 176.127 176.094 0.139 0.000 1.162 434 V CA -0.586 61.772 62.300 0.096 0.000 1.048 434 V CB 1.584 33.435 31.823 0.048 0.000 1.092 434 V HN 1.624 nan 8.190 nan 0.000 0.447 435 A N 1.256 124.134 122.820 0.096 0.000 2.311 435 A HA 0.834 5.160 4.320 0.009 0.000 0.306 435 A C -0.805 176.779 177.584 0.000 0.000 1.189 435 A CA -0.588 51.473 52.037 0.039 0.000 0.791 435 A CB 1.283 20.395 19.000 0.187 0.000 1.172 435 A HN 1.269 nan 8.150 nan 0.000 0.481 436 V N 3.428 123.315 119.914 -0.044 0.000 2.459 436 V HA 0.666 4.791 4.120 0.009 0.000 0.295 436 V C 0.176 176.304 176.094 0.058 0.000 1.029 436 V CA -0.415 61.907 62.300 0.037 0.000 0.874 436 V CB 1.246 33.100 31.823 0.053 0.000 0.985 436 V HN 1.086 nan 8.190 nan 0.000 0.438 437 V N 1.744 121.738 119.914 0.135 0.000 3.040 437 V HA 0.656 4.782 4.120 0.009 0.000 0.312 437 V C -0.459 175.754 176.094 0.197 0.000 1.115 437 V CA -1.328 61.051 62.300 0.131 0.000 0.998 437 V CB 1.997 33.862 31.823 0.070 0.000 1.042 437 V HN 0.745 nan 8.190 nan 0.000 0.433 438 K N 1.554 122.015 120.400 0.101 0.000 2.368 438 K HA 0.187 4.513 4.320 0.009 0.000 0.282 438 K C 0.966 177.507 176.600 -0.099 0.000 1.035 438 K CA -0.027 56.204 56.287 -0.094 0.000 0.973 438 K CB 1.183 33.616 32.500 -0.111 0.000 0.957 438 K HN 0.845 nan 8.250 nan 0.000 0.474 439 K N 2.058 122.354 120.400 -0.173 0.000 2.113 439 K HA -0.209 4.117 4.320 0.009 0.000 0.208 439 K C 1.748 178.302 176.600 -0.077 0.000 1.047 439 K CA 2.140 58.369 56.287 -0.097 0.000 0.928 439 K CB -0.026 32.407 32.500 -0.111 0.000 0.716 439 K HN 0.642 nan 8.250 nan 0.000 0.446 440 S N 0.035 115.674 115.700 -0.102 0.000 2.442 440 S HA -0.045 4.431 4.470 0.009 0.000 0.236 440 S C 0.660 175.236 174.600 -0.039 0.000 1.007 440 S CA 0.494 58.654 58.200 -0.068 0.000 0.965 440 S CB -0.228 62.926 63.200 -0.077 0.000 0.773 440 S HN 0.191 nan 8.310 nan 0.000 0.504 441 S N 2.029 117.710 115.700 -0.032 0.000 2.549 441 S HA 0.523 4.998 4.470 0.009 0.000 0.283 441 S C 0.914 175.513 174.600 -0.002 0.000 1.320 441 S CA -0.294 57.900 58.200 -0.010 0.000 1.058 441 S CB 0.704 63.906 63.200 0.003 0.000 0.882 441 S HN 0.674 nan 8.310 nan 0.000 0.498 442 G N 2.757 111.559 108.800 0.002 0.000 2.699 442 G HA2 0.239 4.205 3.960 0.009 0.000 0.246 442 G HA3 0.239 4.205 3.960 0.009 0.000 0.246 442 G C -1.395 173.514 174.900 0.015 0.000 1.219 442 G CA -1.107 43.997 45.100 0.006 0.000 0.866 442 G HN 0.489 nan 8.290 nan 0.000 0.572 443 P HA -0.071 nan 4.420 nan 0.000 0.230 443 P C 0.919 178.237 177.300 0.029 0.000 1.158 443 P CA 0.908 64.023 63.100 0.024 0.000 0.769 443 P CB 0.310 32.021 31.700 0.020 0.000 0.807 444 D N -0.189 120.224 120.400 0.022 0.000 2.219 444 D HA -0.108 4.538 4.640 0.009 0.000 0.205 444 D C 0.533 176.851 176.300 0.030 0.000 0.970 444 D CA 0.281 54.294 54.000 0.021 0.000 0.851 444 D CB -0.537 40.270 40.800 0.012 0.000 0.943 444 D HN 0.055 nan 8.370 nan 0.000 0.488 445 L N 1.974 123.219 121.223 0.036 0.000 2.363 445 L HA 0.269 4.615 4.340 0.009 0.000 0.286 445 L C -0.614 176.303 176.870 0.079 0.000 1.106 445 L CA -0.041 54.831 54.840 0.053 0.000 0.859 445 L CB -0.408 41.679 42.059 0.046 0.000 1.223 445 L HN 0.095 nan 8.230 nan 0.000 0.446 446 N N 1.714 120.475 118.700 0.102 0.000 3.039 446 N HA 0.182 4.928 4.740 0.009 0.000 0.257 446 N C 0.292 175.934 175.510 0.221 0.000 1.497 446 N CA -0.876 52.268 53.050 0.158 0.000 0.861 446 N CB -0.195 38.372 38.487 0.133 0.000 1.479 446 N HN 0.417 nan 8.380 nan 0.000 0.547 447 W N 0.405 121.755 121.300 0.083 0.000 2.350 447 W HA -0.106 4.559 4.660 0.009 0.000 0.289 447 W C -0.059 176.527 176.519 0.112 0.000 1.215 447 W CA 1.462 58.873 57.345 0.110 0.000 1.236 447 W CB -0.082 29.428 29.460 0.084 0.000 1.130 447 W HN 0.529 nan 8.180 nan 0.000 0.541 448 N N 0.398 119.146 118.700 0.079 0.000 2.412 448 N HA -0.068 4.678 4.740 0.009 0.000 0.184 448 N C -0.080 175.410 175.510 -0.033 0.000 1.101 448 N CA 0.698 53.731 53.050 -0.029 0.000 0.881 448 N CB -0.314 38.206 38.487 0.055 0.000 0.969 448 N HN 0.109 nan 8.380 nan 0.000 0.459 449 N N 0.549 119.244 118.700 -0.008 0.000 2.598 449 N HA 0.241 4.986 4.740 0.009 0.000 0.309 449 N C 0.746 176.239 175.510 -0.028 0.000 1.645 449 N CA -0.034 53.005 53.050 -0.018 0.000 0.936 449 N CB 0.606 39.096 38.487 0.005 0.000 1.323 449 N HN 0.146 nan 8.380 nan 0.000 0.497 450 L N -0.470 120.731 121.223 -0.037 0.000 2.509 450 L HA 0.143 4.489 4.340 0.009 0.000 0.222 450 L C 1.149 177.844 176.870 -0.293 0.000 1.123 450 L CA 0.256 55.099 54.840 0.005 0.000 0.856 450 L CB 0.047 42.228 42.059 0.204 0.000 0.985 450 L HN 0.046 nan 8.230 nan 0.000 0.456 451 K N 0.978 121.002 120.400 -0.626 0.000 2.491 451 K HA 0.058 4.383 4.320 0.009 0.000 0.279 451 K C 1.156 177.463 176.600 -0.490 0.000 1.026 451 K CA 0.963 56.610 56.287 -1.066 0.000 1.070 451 K CB 0.214 32.271 32.500 -0.739 0.000 0.887 451 K HN 0.246 nan 8.250 nan 0.000 0.481 452 G N 2.901 111.450 108.800 -0.417 0.000 2.205 452 G HA2 -0.233 3.733 3.960 0.009 0.000 0.261 452 G HA3 -0.233 3.733 3.960 0.009 0.000 0.261 452 G C -0.099 174.798 174.900 -0.005 0.000 0.980 452 G CA 0.178 45.192 45.100 -0.142 0.000 0.632 452 G HN 0.538 nan 8.290 nan 0.000 0.533 453 K N 0.557 120.990 120.400 0.055 0.000 2.138 453 K HA 0.444 4.770 4.320 0.009 0.000 0.251 453 K C 0.555 177.294 176.600 0.231 0.000 1.015 453 K CA -0.211 56.165 56.287 0.149 0.000 0.917 453 K CB 0.518 33.116 32.500 0.163 0.000 1.021 453 K HN 0.319 nan 8.250 nan 0.000 0.485 454 K N 1.263 121.738 120.400 0.125 0.000 2.253 454 K HA 0.173 4.498 4.320 0.009 0.000 0.277 454 K C -0.166 176.433 176.600 -0.003 0.000 1.053 454 K CA -0.304 56.033 56.287 0.083 0.000 0.892 454 K CB 0.974 33.504 32.500 0.050 0.000 1.102 454 K HN 0.627 nan 8.250 nan 0.000 0.469 455 S N 1.141 116.794 115.700 -0.078 0.000 2.565 455 S HA 0.498 4.974 4.470 0.009 0.000 0.290 455 S C -0.237 174.315 174.600 -0.080 0.000 1.150 455 S CA -0.871 57.183 58.200 -0.242 0.000 1.058 455 S CB 0.986 63.803 63.200 -0.640 0.000 1.032 455 S HN 0.557 nan 8.310 nan 0.000 0.510 456 c N 3.527 122.007 118.600 -0.199 0.000 2.369 456 c HA 0.654 5.230 4.570 0.009 0.000 0.322 456 c C -0.303 173.741 174.090 -0.076 0.000 1.258 456 c CA -0.583 55.706 56.329 -0.067 0.000 1.487 456 c CB -0.260 42.154 42.510 -0.160 0.000 2.165 456 c HN 0.923 nan 8.230 nan 0.000 0.483 457 H N 1.089 120.244 119.070 0.143 0.000 2.717 457 H HA 0.238 4.799 4.556 0.009 0.000 0.366 457 H C 0.847 176.264 175.328 0.149 0.000 1.132 457 H CA -0.043 56.144 56.048 0.232 0.000 1.180 457 H CB 2.180 32.136 29.762 0.323 0.000 1.678 457 H HN 0.714 nan 8.280 nan 0.000 0.537 458 T N 0.436 115.121 114.554 0.220 0.000 2.684 458 T HA 0.094 4.450 4.350 0.009 0.000 0.267 458 T C 0.842 175.572 174.700 0.050 0.000 1.036 458 T CA 0.936 63.049 62.100 0.023 0.000 1.148 458 T CB 0.166 68.939 68.868 -0.159 0.000 0.863 458 T HN 0.724 nan 8.240 nan 0.000 0.436 459 A N -0.597 122.302 122.820 0.132 0.000 2.549 459 A HA 0.564 4.890 4.320 0.009 0.000 0.291 459 A C -0.742 176.834 177.584 -0.013 0.000 1.034 459 A CA -0.731 51.385 52.037 0.133 0.000 0.655 459 A CB 0.691 19.842 19.000 0.253 0.000 1.299 459 A HN 0.312 nan 8.150 nan 0.000 0.427 460 V N 2.120 121.864 119.914 -0.284 0.000 2.872 460 V HA 0.256 4.382 4.120 0.009 0.000 0.307 460 V C 0.872 176.702 176.094 -0.440 0.000 1.072 460 V CA 1.691 63.479 62.300 -0.853 0.000 1.148 460 V CB 0.622 31.869 31.823 -0.959 0.000 0.954 460 V HN 1.054 nan 8.190 nan 0.000 0.490 461 D N 0.991 121.089 120.400 -0.503 0.000 2.978 461 D HA -0.166 4.480 4.640 0.009 0.000 0.205 461 D C 0.620 176.845 176.300 -0.125 0.000 1.093 461 D CA 1.217 55.161 54.000 -0.094 0.000 1.006 461 D CB -0.419 40.394 40.800 0.022 0.000 1.116 461 D HN 0.674 nan 8.370 nan 0.000 0.419 462 R N 0.102 120.517 120.500 -0.142 0.000 2.528 462 R HA 0.405 4.751 4.340 0.009 0.000 0.271 462 R C 1.667 178.015 176.300 0.079 0.000 1.056 462 R CA -0.118 55.861 56.100 -0.202 0.000 1.117 462 R CB 0.635 30.796 30.300 -0.232 0.000 1.085 462 R HN -0.102 nan 8.270 nan 0.000 0.530 463 T N 1.261 115.886 114.554 0.118 0.000 2.569 463 T HA -0.235 4.121 4.350 0.009 0.000 0.263 463 T C 1.769 176.600 174.700 0.218 0.000 1.074 463 T CA 2.023 64.257 62.100 0.223 0.000 1.176 463 T CB -0.243 68.709 68.868 0.140 0.000 0.863 463 T HN 0.746 nan 8.240 nan 0.000 0.410 464 A N 0.941 123.921 122.820 0.267 0.000 1.968 464 A HA 0.252 4.577 4.320 0.009 0.000 0.217 464 A C 2.553 180.305 177.584 0.279 0.000 1.169 464 A CA 1.613 53.817 52.037 0.279 0.000 0.638 464 A CB -1.107 18.142 19.000 0.415 0.000 0.812 464 A HN 0.535 nan 8.150 nan 0.000 0.446 465 G N -2.615 106.352 108.800 0.279 0.000 2.448 465 G HA2 -0.068 3.898 3.960 0.009 0.000 0.218 465 G HA3 -0.068 3.898 3.960 0.009 0.000 0.218 465 G C 1.238 176.413 174.900 0.458 0.000 1.135 465 G CA 1.009 46.313 45.100 0.340 0.000 0.784 465 G HN 0.632 nan 8.290 nan 0.000 0.543 466 W N -0.644 120.699 121.300 0.072 0.000 5.276 466 W HA 0.056 4.721 4.660 0.009 0.000 0.176 466 W C 1.508 177.980 176.519 -0.079 0.000 1.298 466 W CA 0.168 57.508 57.345 -0.007 0.000 2.054 466 W CB -0.288 29.160 29.460 -0.020 0.000 0.717 466 W HN 0.049 nan 8.180 nan 0.000 1.057 467 N N 1.689 120.487 118.700 0.164 0.000 2.069 467 N HA -0.177 4.569 4.740 0.009 0.000 0.191 467 N C 1.530 176.987 175.510 -0.089 0.000 1.031 467 N CA 2.206 55.261 53.050 0.009 0.000 0.852 467 N CB -0.708 37.812 38.487 0.055 0.000 1.018 467 N HN 0.093 nan 8.380 nan 0.000 0.423 468 I N 1.534 122.104 120.570 0.001 0.000 2.133 468 I HA -0.125 4.050 4.170 0.009 0.000 0.238 468 I C -0.643 175.422 176.117 -0.086 0.000 1.074 468 I CA 1.278 62.573 61.300 -0.008 0.000 1.342 468 I CB -2.391 35.646 38.000 0.061 0.000 1.053 468 I HN 0.085 nan 8.210 nan 0.000 0.404 469 P HA -0.131 nan 4.420 nan 0.000 0.216 469 P C 1.896 178.973 177.300 -0.371 0.000 1.153 469 P CA 1.536 64.490 63.100 -0.243 0.000 0.848 469 P CB -0.134 31.131 31.700 -0.725 0.000 0.787 470 M N -0.679 118.524 119.600 -0.661 0.000 2.229 470 M HA 0.024 4.510 4.480 0.009 0.000 0.264 470 M C 2.419 178.414 176.300 -0.509 0.000 1.063 470 M CA 1.652 56.377 55.300 -0.958 0.000 1.114 470 M CB -2.308 29.192 32.600 -1.833 0.000 1.387 470 M HN -0.015 nan 8.290 nan 0.000 0.420 471 G N 0.839 109.452 108.800 -0.312 0.000 2.446 471 G HA2 -0.168 3.798 3.960 0.009 0.000 0.217 471 G HA3 -0.168 3.798 3.960 0.009 0.000 0.217 471 G C 1.713 176.611 174.900 -0.002 0.000 1.168 471 G CA 0.573 45.610 45.100 -0.105 0.000 0.771 471 G HN 0.402 nan 8.290 nan 0.000 0.551 472 L N -0.095 121.129 121.223 0.001 0.000 2.042 472 L HA -0.044 4.302 4.340 0.009 0.000 0.210 472 L C 2.929 179.828 176.870 0.048 0.000 1.076 472 L CA 0.676 55.577 54.840 0.102 0.000 0.749 472 L CB -0.407 41.824 42.059 0.286 0.000 0.893 472 L HN 0.191 nan 8.230 nan 0.000 0.432 473 L N -1.749 119.425 121.223 -0.082 0.000 2.056 473 L HA -0.251 4.095 4.340 0.009 0.000 0.207 473 L C 2.603 179.401 176.870 -0.119 0.000 1.078 473 L CA 1.318 56.006 54.840 -0.252 0.000 0.749 473 L CB -0.702 41.062 42.059 -0.492 0.000 0.901 473 L HN 0.200 nan 8.230 nan 0.000 0.433 474 Y N 1.411 121.661 120.300 -0.084 0.000 2.193 474 Y HA -0.309 4.247 4.550 0.010 0.000 0.285 474 Y C 2.454 178.330 175.900 -0.040 0.000 1.166 474 Y CA 1.644 59.754 58.100 0.017 0.000 1.181 474 Y CB -0.041 38.473 38.460 0.090 0.000 0.976 474 Y HN 0.254 nan 8.280 nan 0.000 0.520 475 N N 0.393 119.079 118.700 -0.023 0.000 2.289 475 N HA -0.145 4.600 4.740 0.009 0.000 0.184 475 N C 1.394 176.820 175.510 -0.140 0.000 1.016 475 N CA 1.559 54.546 53.050 -0.105 0.000 0.872 475 N CB -0.157 38.323 38.487 -0.012 0.000 0.973 475 N HN 0.528 nan 8.380 nan 0.000 0.433 476 K N 0.393 120.712 120.400 -0.135 0.000 2.099 476 K HA 0.132 4.458 4.320 0.009 0.000 0.203 476 K C 1.934 178.436 176.600 -0.163 0.000 1.047 476 K CA 0.748 56.953 56.287 -0.136 0.000 0.963 476 K CB 0.121 32.532 32.500 -0.147 0.000 0.759 476 K HN 0.286 nan 8.250 nan 0.000 0.451 477 I N -1.576 118.870 120.570 -0.207 0.000 3.728 477 I HA 0.096 4.272 4.170 0.009 0.000 0.307 477 I C -0.658 175.347 176.117 -0.187 0.000 1.276 477 I CA -0.152 61.044 61.300 -0.174 0.000 1.285 477 I CB -0.169 37.715 38.000 -0.194 0.000 1.038 477 I HN 0.034 nan 8.210 nan 0.000 0.445 478 N N 2.689 121.202 118.700 -0.312 0.000 2.705 478 N HA -0.206 4.540 4.740 0.009 0.000 0.255 478 N C -0.125 175.231 175.510 -0.258 0.000 1.008 478 N CA 1.326 54.113 53.050 -0.438 0.000 0.742 478 N CB -1.074 37.242 38.487 -0.286 0.000 0.906 478 N HN 0.724 nan 8.380 nan 0.000 0.541 479 S N -1.570 114.051 115.700 -0.132 0.000 2.537 479 S HA 0.385 4.861 4.470 0.009 0.000 0.271 479 S C 0.607 175.165 174.600 -0.070 0.000 1.148 479 S CA -0.636 57.548 58.200 -0.026 0.000 0.868 479 S CB 1.078 64.230 63.200 -0.080 0.000 1.115 479 S HN 0.241 nan 8.310 nan 0.000 0.461 480 c N 2.714 121.199 118.600 -0.192 0.000 2.626 480 c HA 0.298 4.874 4.570 0.009 0.000 0.266 480 c C 1.089 174.697 174.090 -0.803 0.000 1.317 480 c CA -0.120 55.853 56.329 -0.594 0.000 1.716 480 c CB -1.558 40.791 42.510 -0.267 0.000 1.819 480 c HN 0.718 nan 8.230 nan 0.000 0.578 481 K N 1.254 121.390 120.400 -0.440 0.000 2.480 481 K HA 0.170 4.496 4.320 0.009 0.000 0.241 481 K C 0.322 176.855 176.600 -0.113 0.000 1.261 481 K CA -0.114 56.040 56.287 -0.221 0.000 1.193 481 K CB -0.358 32.100 32.500 -0.069 0.000 1.598 481 K HN 0.487 nan 8.250 nan 0.000 0.278 482 F N 1.152 121.190 119.950 0.147 0.000 2.216 482 F HA -0.231 4.302 4.527 0.009 0.000 0.300 482 F C 2.137 178.125 175.800 0.314 0.000 1.085 482 F CA 0.659 58.775 58.000 0.193 0.000 1.326 482 F CB -0.091 39.019 39.000 0.183 0.000 1.027 482 F HN 0.435 nan 8.300 nan 0.000 0.497 483 D N 0.254 120.896 120.400 0.403 0.000 2.348 483 D HA -0.163 4.482 4.640 0.009 0.000 0.216 483 D C 1.431 177.878 176.300 0.246 0.000 0.970 483 D CA 0.854 55.056 54.000 0.337 0.000 0.889 483 D CB -0.610 40.339 40.800 0.248 0.000 0.912 483 D HN 0.404 nan 8.370 nan 0.000 0.524 484 Q N -1.399 118.522 119.800 0.200 0.000 2.384 484 Q HA 0.137 4.483 4.340 0.009 0.000 0.207 484 Q C 1.211 177.296 176.000 0.142 0.000 0.904 484 Q CA -0.108 55.777 55.803 0.137 0.000 0.933 484 Q CB 0.168 28.958 28.738 0.087 0.000 1.077 484 Q HN 0.312 nan 8.270 nan 0.000 0.522 485 F N 0.063 120.023 119.950 0.016 0.000 2.164 485 F HA 0.109 4.642 4.527 0.010 0.000 0.287 485 F C 0.455 176.163 175.800 -0.155 0.000 1.086 485 F CA 0.265 58.187 58.000 -0.129 0.000 1.249 485 F CB 0.297 39.143 39.000 -0.257 0.000 1.059 485 F HN -0.180 nan 8.300 nan 0.000 0.490 486 F N 0.318 120.397 119.950 0.214 0.000 2.440 486 F HA 0.279 4.811 4.527 0.009 0.000 0.323 486 F C 1.701 177.535 175.800 0.058 0.000 1.192 486 F CA 0.199 58.264 58.000 0.108 0.000 1.252 486 F CB 0.370 39.538 39.000 0.279 0.000 1.214 486 F HN 0.057 nan 8.300 nan 0.000 0.578 487 G N 0.191 109.150 108.800 0.266 0.000 2.456 487 G HA2 0.052 4.018 3.960 0.009 0.000 0.213 487 G HA3 0.052 4.018 3.960 0.009 0.000 0.213 487 G C -0.298 174.700 174.900 0.165 0.000 1.215 487 G CA 0.385 45.575 45.100 0.151 0.000 0.805 487 G HN 0.582 nan 8.290 nan 0.000 0.537 488 E N -1.741 118.566 120.200 0.180 0.000 2.381 488 E HA 0.506 4.861 4.350 0.009 0.000 0.286 488 E C -0.732 175.959 176.600 0.152 0.000 0.960 488 E CA -0.345 56.146 56.400 0.152 0.000 0.793 488 E CB 2.099 31.865 29.700 0.109 0.000 1.225 488 E HN 0.385 nan 8.360 nan 0.000 0.420 489 G N 0.221 109.115 108.800 0.157 0.000 2.749 489 G HA2 0.488 4.453 3.960 0.009 0.000 0.300 489 G HA3 0.488 4.453 3.960 0.009 0.000 0.300 489 G C -1.522 173.481 174.900 0.172 0.000 1.352 489 G CA -0.458 44.734 45.100 0.154 0.000 0.789 489 G HN 0.521 nan 8.290 nan 0.000 0.509 490 c N 0.789 119.514 118.600 0.209 0.000 2.321 490 c HA 0.796 5.372 4.570 0.009 0.000 0.323 490 c C 0.351 174.599 174.090 0.262 0.000 1.191 490 c CA 0.103 56.569 56.329 0.227 0.000 1.455 490 c CB -0.626 42.062 42.510 0.297 0.000 2.083 490 c HN 1.132 nan 8.230 nan 0.000 0.442 491 A N 7.898 130.819 122.820 0.168 0.000 2.709 491 A HA 0.642 4.968 4.320 0.009 0.000 0.332 491 A C -2.798 174.807 177.584 0.035 0.000 1.241 491 A CA -1.120 50.968 52.037 0.086 0.000 0.782 491 A CB 0.253 19.187 19.000 -0.110 0.000 1.109 491 A HN 0.669 nan 8.150 nan 0.000 0.472 492 P HA 0.234 nan 4.420 nan 0.000 0.264 492 P C 1.226 178.534 177.300 0.013 0.000 1.183 492 P CA 2.233 65.394 63.100 0.101 0.000 0.763 492 P CB 0.778 32.625 31.700 0.245 0.000 0.807 493 G N 1.301 110.086 108.800 -0.024 0.000 2.195 493 G HA2 -0.221 3.745 3.960 0.009 0.000 0.246 493 G HA3 -0.221 3.745 3.960 0.009 0.000 0.246 493 G C 0.480 175.317 174.900 -0.104 0.000 0.984 493 G CA 0.005 45.064 45.100 -0.068 0.000 0.633 493 G HN 0.570 nan 8.290 nan 0.000 0.525 494 S N -0.045 115.597 115.700 -0.097 0.000 2.624 494 S HA 0.464 4.940 4.470 0.009 0.000 0.263 494 S C 0.445 175.031 174.600 -0.025 0.000 1.287 494 S CA -0.333 57.819 58.200 -0.080 0.000 0.990 494 S CB 1.208 64.383 63.200 -0.041 0.000 0.950 494 S HN 0.522 nan 8.310 nan 0.000 0.561 495 Q N 0.550 120.348 119.800 -0.003 0.000 2.263 495 Q HA -0.010 4.336 4.340 0.009 0.000 0.289 495 Q C 1.147 177.158 176.000 0.019 0.000 1.061 495 Q CA -0.057 55.753 55.803 0.011 0.000 0.927 495 Q CB 0.415 29.170 28.738 0.027 0.000 1.154 495 Q HN 0.465 nan 8.270 nan 0.000 0.378 496 R N 3.140 123.646 120.500 0.011 0.000 2.127 496 R HA -0.191 4.154 4.340 0.009 0.000 0.238 496 R C 0.972 177.286 176.300 0.023 0.000 1.134 496 R CA 2.379 58.487 56.100 0.013 0.000 0.975 496 R CB -0.123 30.180 30.300 0.004 0.000 0.865 496 R HN 0.764 nan 8.270 nan 0.000 0.447 497 N N -1.142 117.573 118.700 0.026 0.000 2.270 497 N HA 0.025 4.770 4.740 0.009 0.000 0.198 497 N C -0.247 175.290 175.510 0.045 0.000 1.117 497 N CA 0.002 53.071 53.050 0.031 0.000 0.845 497 N CB -0.032 38.470 38.487 0.026 0.000 0.980 497 N HN 0.023 nan 8.380 nan 0.000 0.486 498 S N 0.098 115.831 115.700 0.054 0.000 2.572 498 S HA 0.111 4.587 4.470 0.009 0.000 0.279 498 S C 1.332 175.985 174.600 0.089 0.000 1.341 498 S CA -0.092 58.155 58.200 0.078 0.000 1.043 498 S CB 0.452 63.707 63.200 0.092 0.000 0.887 498 S HN 0.465 nan 8.310 nan 0.000 0.516 499 S N 4.245 120.009 115.700 0.107 0.000 2.500 499 S HA -0.004 4.472 4.470 0.009 0.000 0.239 499 S C 1.421 176.108 174.600 0.145 0.000 0.989 499 S CA 0.566 58.838 58.200 0.119 0.000 0.951 499 S CB -0.472 62.806 63.200 0.129 0.000 0.759 499 S HN 0.723 nan 8.310 nan 0.000 0.523 500 L N 0.053 121.371 121.223 0.157 0.000 2.599 500 L HA 0.168 4.513 4.340 0.009 0.000 0.230 500 L C 1.240 178.183 176.870 0.121 0.000 1.141 500 L CA 0.029 54.967 54.840 0.164 0.000 0.877 500 L CB -0.235 41.943 42.059 0.198 0.000 1.009 500 L HN 0.477 nan 8.230 nan 0.000 0.447 501 c N -1.214 117.445 118.600 0.100 0.000 3.070 501 c HA 0.265 4.841 4.570 0.009 0.000 0.280 501 c C 2.655 176.795 174.090 0.083 0.000 1.264 501 c CA 0.136 56.514 56.329 0.082 0.000 1.690 501 c CB -0.073 42.470 42.510 0.054 0.000 2.049 501 c HN 0.566 nan 8.230 nan 0.000 0.636 502 A N 0.778 123.653 122.820 0.091 0.000 1.969 502 A HA -0.023 4.303 4.320 0.009 0.000 0.218 502 A C 1.849 179.485 177.584 0.087 0.000 1.169 502 A CA 1.329 53.413 52.037 0.079 0.000 0.635 502 A CB -0.389 18.659 19.000 0.079 0.000 0.810 502 A HN 0.615 nan 8.150 nan 0.000 0.445 503 L N -0.408 120.887 121.223 0.120 0.000 2.558 503 L HA 0.033 4.379 4.340 0.009 0.000 0.225 503 L C 0.348 177.334 176.870 0.193 0.000 1.128 503 L CA -0.639 54.293 54.840 0.154 0.000 0.868 503 L CB -0.568 41.593 42.059 0.171 0.000 1.006 503 L HN 0.285 nan 8.230 nan 0.000 0.454 504 c N 1.052 119.732 118.600 0.134 0.000 2.676 504 c HA 0.072 4.648 4.570 0.009 0.000 0.416 504 c C 1.873 175.880 174.090 -0.138 0.000 1.299 504 c CA -0.397 55.963 56.329 0.052 0.000 2.048 504 c CB 0.215 42.761 42.510 0.060 0.000 2.713 504 c HN 0.477 nan 8.230 nan 0.000 0.624 505 I N -0.057 120.284 120.570 -0.383 0.000 4.240 505 I HA 0.450 4.626 4.170 0.009 0.000 0.331 505 I C 1.024 177.008 176.117 -0.222 0.000 1.381 505 I CA 0.476 61.579 61.300 -0.328 0.000 1.136 505 I CB -0.757 36.952 38.000 -0.484 0.000 1.137 505 I HN 0.869 nan 8.210 nan 0.000 0.411 506 G N 2.081 110.777 108.800 -0.173 0.000 2.564 506 G HA2 -0.311 3.654 3.960 0.009 0.000 0.273 506 G HA3 -0.311 3.654 3.960 0.009 0.000 0.273 506 G C -0.160 174.696 174.900 -0.072 0.000 1.242 506 G CA 0.245 45.292 45.100 -0.088 0.000 0.951 506 G HN 0.662 nan 8.290 nan 0.000 0.564 507 S N -0.872 114.803 115.700 -0.040 0.000 2.608 507 S HA 0.525 5.001 4.470 0.009 0.000 0.291 507 S C 1.085 175.671 174.600 -0.023 0.000 1.146 507 S CA 0.750 58.946 58.200 -0.007 0.000 1.043 507 S CB 1.734 64.938 63.200 0.005 0.000 1.037 507 S HN 0.687 nan 8.310 nan 0.000 0.520 508 E N 2.047 122.246 120.200 -0.001 0.000 2.216 508 E HA -0.016 4.340 4.350 0.009 0.000 0.192 508 E C 1.697 178.295 176.600 -0.003 0.000 0.988 508 E CA 0.601 57.001 56.400 -0.001 0.000 0.834 508 E CB 0.156 29.868 29.700 0.020 0.000 0.772 508 E HN 0.604 nan 8.360 nan 0.000 0.479 509 R N -0.429 120.071 120.500 -0.001 0.000 2.123 509 R HA 0.225 4.571 4.340 0.009 0.000 0.209 509 R C 0.384 176.662 176.300 -0.035 0.000 1.078 509 R CA 0.579 56.672 56.100 -0.011 0.000 1.028 509 R CB 0.549 30.849 30.300 -0.001 0.000 0.939 509 R HN -0.093 nan 8.270 nan 0.000 0.463 510 A N 2.028 124.813 122.820 -0.059 0.000 2.342 510 A HA 0.579 4.905 4.320 0.009 0.000 0.323 510 A C -2.532 174.998 177.584 -0.091 0.000 1.125 510 A CA -1.771 50.213 52.037 -0.089 0.000 0.785 510 A CB 1.109 20.023 19.000 -0.143 0.000 1.221 510 A HN -0.094 nan 8.150 nan 0.000 0.463 511 P HA 0.466 nan 4.420 nan 0.000 0.276 511 P C 0.956 178.210 177.300 -0.076 0.000 1.252 511 P CA 1.126 64.187 63.100 -0.065 0.000 0.802 511 P CB 0.827 32.497 31.700 -0.049 0.000 1.035 512 G N 0.612 109.375 108.800 -0.063 0.000 2.162 512 G HA2 -0.260 3.706 3.960 0.009 0.000 0.260 512 G HA3 -0.260 3.706 3.960 0.009 0.000 0.260 512 G C 0.952 175.811 174.900 -0.069 0.000 0.976 512 G CA -0.168 44.897 45.100 -0.060 0.000 0.655 512 G HN 0.458 nan 8.290 nan 0.000 0.533 513 R N 0.521 120.972 120.500 -0.082 0.000 2.320 513 R HA 0.197 4.543 4.340 0.009 0.000 0.211 513 R C 0.610 176.888 176.300 -0.036 0.000 0.931 513 R CA 0.059 56.116 56.100 -0.073 0.000 1.071 513 R CB -0.070 30.174 30.300 -0.093 0.000 1.025 513 R HN 0.610 nan 8.270 nan 0.000 0.495 514 E N -0.345 119.832 120.200 -0.039 0.000 2.465 514 E HA -0.072 4.284 4.350 0.009 0.000 0.260 514 E C 0.702 177.296 176.600 -0.010 0.000 0.980 514 E CA 0.377 56.759 56.400 -0.030 0.000 0.927 514 E CB 0.209 29.891 29.700 -0.029 0.000 0.934 514 E HN 0.149 nan 8.360 nan 0.000 0.459 515 c N 2.242 120.847 118.600 0.007 0.000 4.593 515 c HA -0.215 4.360 4.570 0.009 0.000 0.263 515 c C 0.300 174.394 174.090 0.007 0.000 1.378 515 c CA -0.192 56.153 56.329 0.026 0.000 1.666 515 c CB -2.006 40.517 42.510 0.023 0.000 1.603 515 c HN 0.655 nan 8.230 nan 0.000 0.704 516 L N 0.806 122.023 121.223 -0.010 0.000 2.426 516 L HA 0.379 4.725 4.340 0.009 0.000 0.271 516 L C 1.086 177.887 176.870 -0.115 0.000 1.169 516 L CA 0.637 55.449 54.840 -0.047 0.000 0.836 516 L CB 0.646 42.688 42.059 -0.030 0.000 1.112 516 L HN 0.388 nan 8.230 nan 0.000 0.465 517 A N 3.374 126.093 122.820 -0.167 0.000 3.118 517 A HA 0.337 4.662 4.320 0.009 0.000 0.256 517 A C -0.186 176.909 177.584 -0.816 0.000 1.667 517 A CA -0.304 51.546 52.037 -0.312 0.000 1.338 517 A CB -1.218 17.745 19.000 -0.061 0.000 1.127 517 A HN 0.877 nan 8.150 nan 0.000 0.634 518 N N -2.237 115.832 118.700 -1.051 0.000 3.179 518 N HA 0.069 4.814 4.740 0.009 0.000 0.250 518 N C -0.372 174.802 175.510 -0.560 0.000 1.507 518 N CA -0.775 51.734 53.050 -0.901 0.000 0.883 518 N CB -0.180 38.076 38.487 -0.385 0.000 1.435 518 N HN -0.002 nan 8.380 nan 0.000 0.532 519 N N -1.412 117.146 118.700 -0.237 0.000 2.609 519 N HA -0.071 4.674 4.740 0.009 0.000 0.190 519 N C 0.317 175.793 175.510 -0.058 0.000 1.157 519 N CA 0.248 53.285 53.050 -0.023 0.000 0.918 519 N CB -0.198 38.312 38.487 0.038 0.000 0.978 519 N HN 0.388 nan 8.380 nan 0.000 0.448 520 H N 0.448 119.507 119.070 -0.019 0.000 2.462 520 H HA 0.013 4.575 4.556 0.010 0.000 0.292 520 H C 0.520 175.839 175.328 -0.014 0.000 1.049 520 H CA 0.809 56.849 56.048 -0.014 0.000 1.334 520 H CB -0.010 29.728 29.762 -0.039 0.000 1.404 520 H HN 0.263 nan 8.280 nan 0.000 0.544 521 E N 1.031 121.293 120.200 0.104 0.000 2.152 521 E HA 0.078 4.433 4.350 0.009 0.000 0.285 521 E C 0.893 177.561 176.600 0.113 0.000 1.043 521 E CA -0.114 56.331 56.400 0.075 0.000 0.839 521 E CB 0.340 30.088 29.700 0.079 0.000 1.069 521 E HN 0.071 nan 8.360 nan 0.000 0.399 522 R N 3.271 123.782 120.500 0.019 0.000 2.189 522 R HA -0.102 4.244 4.340 0.009 0.000 0.223 522 R C 0.415 176.815 176.300 0.168 0.000 1.092 522 R CA 0.924 57.045 56.100 0.035 0.000 0.989 522 R CB 0.005 30.252 30.300 -0.089 0.000 0.876 522 R HN 0.572 nan 8.270 nan 0.000 0.457 523 Y N -1.188 119.125 120.300 0.022 0.000 2.470 523 Y HA 0.071 4.627 4.550 0.009 0.000 0.284 523 Y C -0.033 175.920 175.900 0.089 0.000 1.188 523 Y CA -1.368 56.734 58.100 0.003 0.000 1.269 523 Y CB -0.960 37.497 38.460 -0.006 0.000 1.094 523 Y HN 0.019 nan 8.280 nan 0.000 0.518 524 Y N 0.719 121.109 120.300 0.149 0.000 2.309 524 Y HA 0.483 5.038 4.550 0.009 0.000 0.327 524 Y C 0.923 176.874 175.900 0.085 0.000 1.172 524 Y CA 0.547 58.708 58.100 0.103 0.000 1.280 524 Y CB 0.497 39.003 38.460 0.076 0.000 1.234 524 Y HN 0.347 nan 8.280 nan 0.000 0.512 525 G N 3.660 112.044 108.800 -0.694 0.000 2.757 525 G HA2 -0.321 3.644 3.960 0.009 0.000 0.638 525 G HA3 -0.321 3.644 3.960 0.009 0.000 0.638 525 G C -0.253 174.515 174.900 -0.219 0.000 1.344 525 G CA 0.021 44.742 45.100 -0.632 0.000 0.855 525 G HN 0.821 nan 8.290 nan 0.000 0.537 526 Y N 0.031 120.275 120.300 -0.094 0.000 2.145 526 Y HA -0.138 4.418 4.550 0.009 0.000 0.286 526 Y C 3.484 179.397 175.900 0.022 0.000 1.145 526 Y CA 2.295 60.372 58.100 -0.038 0.000 1.148 526 Y CB -0.428 37.985 38.460 -0.077 0.000 0.981 526 Y HN 0.614 nan 8.280 nan 0.000 0.507 527 T N -0.553 114.136 114.554 0.225 0.000 2.737 527 T HA -0.155 4.200 4.350 0.009 0.000 0.265 527 T C 2.203 177.006 174.700 0.171 0.000 1.038 527 T CA 1.259 63.517 62.100 0.265 0.000 1.144 527 T CB -0.990 68.046 68.868 0.281 0.000 0.866 527 T HN 0.619 nan 8.240 nan 0.000 0.434 528 G N 1.416 110.270 108.800 0.090 0.000 2.529 528 G HA2 -0.196 3.769 3.960 0.009 0.000 0.219 528 G HA3 -0.196 3.769 3.960 0.009 0.000 0.219 528 G C 1.819 176.679 174.900 -0.067 0.000 1.177 528 G CA 1.111 46.230 45.100 0.031 0.000 0.773 528 G HN 0.598 nan 8.290 nan 0.000 0.573 529 A N -0.111 122.706 122.820 -0.006 0.000 1.969 529 A HA 0.137 4.462 4.320 0.009 0.000 0.218 529 A C 2.185 179.722 177.584 -0.078 0.000 1.169 529 A CA 1.442 53.451 52.037 -0.046 0.000 0.635 529 A CB -0.448 18.578 19.000 0.043 0.000 0.810 529 A HN 0.482 nan 8.150 nan 0.000 0.445 530 F N 0.140 120.001 119.950 -0.149 0.000 2.206 530 F HA -0.083 4.449 4.527 0.010 0.000 0.298 530 F C 2.373 178.023 175.800 -0.249 0.000 1.090 530 F CA 1.493 59.403 58.000 -0.150 0.000 1.323 530 F CB -0.030 38.938 39.000 -0.053 0.000 1.028 530 F HN 0.207 nan 8.300 nan 0.000 0.492 531 R N -0.157 119.965 120.500 -0.630 0.000 2.075 531 R HA -0.215 4.131 4.340 0.009 0.000 0.232 531 R C 2.551 178.333 176.300 -0.864 0.000 1.126 531 R CA 1.678 57.099 56.100 -1.131 0.000 0.963 531 R CB -1.217 28.198 30.300 -1.476 0.000 0.858 531 R HN 0.538 nan 8.270 nan 0.000 0.435 532 c N 0.882 118.868 118.600 -1.024 0.000 2.401 532 c HA -0.145 4.431 4.570 0.009 0.000 0.276 532 c C 2.619 176.372 174.090 -0.561 0.000 1.233 532 c CA 1.116 56.719 56.329 -1.209 0.000 1.753 532 c CB -1.202 40.686 42.510 -1.037 0.000 2.029 532 c HN 0.681 nan 8.230 nan 0.000 0.478 533 L N 0.963 121.949 121.223 -0.396 0.000 2.017 533 L HA -0.046 4.300 4.340 0.009 0.000 0.208 533 L C 2.497 179.264 176.870 -0.173 0.000 1.073 533 L CA 2.268 56.978 54.840 -0.217 0.000 0.745 533 L CB -0.828 41.168 42.059 -0.105 0.000 0.894 533 L HN 0.291 nan 8.230 nan 0.000 0.432 534 V N -0.258 119.490 119.914 -0.275 0.000 2.427 534 V HA -0.242 3.883 4.120 0.009 0.000 0.248 534 V C 2.420 178.466 176.094 -0.079 0.000 1.051 534 V CA 2.161 64.387 62.300 -0.124 0.000 1.048 534 V CB -0.628 31.112 31.823 -0.138 0.000 0.666 534 V HN 0.534 nan 8.190 nan 0.000 0.456 535 E N -0.840 119.272 120.200 -0.146 0.000 2.216 535 E HA 0.010 4.366 4.350 0.009 0.000 0.192 535 E C 1.793 178.378 176.600 -0.025 0.000 0.973 535 E CA 0.562 56.933 56.400 -0.047 0.000 0.851 535 E CB 0.217 29.917 29.700 -0.000 0.000 0.804 535 E HN 0.509 nan 8.360 nan 0.000 0.477 536 K N -0.602 119.756 120.400 -0.071 0.000 2.658 536 K HA 0.148 4.474 4.320 0.009 0.000 0.202 536 K C 0.756 177.337 176.600 -0.032 0.000 1.563 536 K CA 0.208 56.484 56.287 -0.019 0.000 1.129 536 K CB 1.394 33.917 32.500 0.037 0.000 1.507 536 K HN -0.015 nan 8.250 nan 0.000 0.581 537 G N 0.689 109.441 108.800 -0.081 0.000 2.557 537 G HA2 0.087 4.053 3.960 0.009 0.000 0.292 537 G HA3 0.087 4.053 3.960 0.009 0.000 0.292 537 G C -0.180 174.694 174.900 -0.043 0.000 1.237 537 G CA -0.232 44.830 45.100 -0.064 0.000 0.978 537 G HN -0.059 nan 8.290 nan 0.000 0.498 538 D N -1.748 118.632 120.400 -0.034 0.000 2.379 538 D HA 0.079 4.725 4.640 0.009 0.000 0.218 538 D C 0.391 176.664 176.300 -0.045 0.000 1.006 538 D CA 0.563 54.553 54.000 -0.017 0.000 0.893 538 D CB 1.160 41.969 40.800 0.014 0.000 1.019 538 D HN 0.120 nan 8.370 nan 0.000 0.503 539 V N 0.237 120.075 119.914 -0.127 0.000 2.760 539 V HA 0.689 4.815 4.120 0.009 0.000 0.309 539 V C -1.694 174.136 176.094 -0.440 0.000 1.077 539 V CA -0.766 61.379 62.300 -0.258 0.000 0.910 539 V CB 1.899 33.549 31.823 -0.288 0.000 1.008 539 V HN 0.077 nan 8.190 nan 0.000 0.424 540 A N 5.883 128.459 122.820 -0.407 0.000 2.330 540 A HA 0.865 5.190 4.320 0.009 0.000 0.327 540 A C -1.121 176.176 177.584 -0.477 0.000 1.155 540 A CA -0.429 51.386 52.037 -0.370 0.000 0.803 540 A CB 0.828 19.769 19.000 -0.099 0.000 1.208 540 A HN 0.792 nan 8.150 nan 0.000 0.477 541 F N 2.842 122.738 119.950 -0.090 0.000 2.332 541 F HA 0.502 5.035 4.527 0.010 0.000 0.368 541 F C 0.483 176.328 175.800 0.075 0.000 1.110 541 F CA -0.237 57.754 58.000 -0.017 0.000 1.087 541 F CB 1.613 40.559 39.000 -0.090 0.000 1.235 541 F HN 0.566 nan 8.300 nan 0.000 0.470 542 V N 0.072 120.134 119.914 0.247 0.000 3.181 542 V HA 0.556 4.681 4.120 0.009 0.000 0.307 542 V C -0.964 175.252 176.094 0.203 0.000 1.310 542 V CA -1.649 60.807 62.300 0.260 0.000 1.067 542 V CB 1.814 33.732 31.823 0.158 0.000 1.081 542 V HN 0.556 nan 8.190 nan 0.000 0.453 543 K N 0.840 121.304 120.400 0.107 0.000 2.202 543 K HA 0.331 4.657 4.320 0.009 0.000 0.264 543 K C -0.214 176.292 176.600 -0.157 0.000 1.010 543 K CA -0.155 56.082 56.287 -0.084 0.000 0.940 543 K CB 0.613 32.719 32.500 -0.657 0.000 0.983 543 K HN 0.921 nan 8.250 nan 0.000 0.475 544 D N 1.908 122.244 120.400 -0.107 0.000 2.423 544 D HA -0.110 4.536 4.640 0.009 0.000 0.238 544 D C -0.058 176.096 176.300 -0.243 0.000 1.142 544 D CA 0.059 53.974 54.000 -0.142 0.000 0.884 544 D CB 0.858 41.607 40.800 -0.086 0.000 1.199 544 D HN 0.731 nan 8.370 nan 0.000 0.438 545 Q N -0.176 119.484 119.800 -0.232 0.000 2.371 545 Q HA -0.178 4.168 4.340 0.009 0.000 0.169 545 Q C 1.342 177.146 176.000 -0.326 0.000 0.577 545 Q CA 0.977 56.625 55.803 -0.258 0.000 1.340 545 Q CB -2.245 26.340 28.738 -0.256 0.000 1.201 545 Q HN 0.515 nan 8.270 nan 0.000 0.984 546 V N 0.381 120.067 119.914 -0.380 0.000 2.427 546 V HA -0.184 3.941 4.120 0.009 0.000 0.248 546 V C 2.035 177.749 176.094 -0.634 0.000 1.051 546 V CA 2.148 64.189 62.300 -0.432 0.000 1.048 546 V CB -0.082 31.525 31.823 -0.360 0.000 0.666 546 V HN 0.319 nan 8.190 nan 0.000 0.456 547 V N -0.220 119.270 119.914 -0.708 0.000 2.270 547 V HA -0.298 3.828 4.120 0.009 0.000 0.245 547 V C 2.467 178.296 176.094 -0.443 0.000 1.043 547 V CA 2.357 64.149 62.300 -0.847 0.000 1.014 547 V CB -0.904 30.565 31.823 -0.590 0.000 0.645 547 V HN 0.530 nan 8.190 nan 0.000 0.447 548 Q N 0.004 119.636 119.800 -0.281 0.000 2.152 548 Q HA -0.258 4.088 4.340 0.009 0.000 0.206 548 Q C 2.185 178.087 176.000 -0.165 0.000 0.985 548 Q CA 1.762 57.461 55.803 -0.173 0.000 0.863 548 Q CB -0.376 28.280 28.738 -0.137 0.000 0.904 548 Q HN 0.688 nan 8.270 nan 0.000 0.422 549 Q N -0.532 119.145 119.800 -0.204 0.000 2.435 549 Q HA 0.061 4.407 4.340 0.009 0.000 0.207 549 Q C 0.467 176.395 176.000 -0.121 0.000 0.956 549 Q CA 0.496 56.207 55.803 -0.153 0.000 0.917 549 Q CB 0.437 29.078 28.738 -0.161 0.000 0.997 549 Q HN 0.352 nan 8.270 nan 0.000 0.497 550 N N 0.200 118.814 118.700 -0.143 0.000 2.241 550 N HA 0.056 4.802 4.740 0.009 0.000 0.238 550 N C -0.477 175.013 175.510 -0.034 0.000 1.244 550 N CA 0.271 53.285 53.050 -0.061 0.000 0.880 550 N CB 1.352 39.899 38.487 0.100 0.000 1.179 550 N HN 0.161 nan 8.380 nan 0.000 0.513 551 T N -2.742 111.783 114.554 -0.047 0.000 2.910 551 T HA 0.314 4.670 4.350 0.009 0.000 0.287 551 T C -0.200 174.493 174.700 -0.011 0.000 1.050 551 T CA -0.416 61.690 62.100 0.010 0.000 1.011 551 T CB 1.957 70.864 68.868 0.066 0.000 1.195 551 T HN -0.073 nan 8.240 nan 0.000 0.540 552 D N 0.054 120.462 120.400 0.013 0.000 2.751 552 D HA -0.177 4.469 4.640 0.009 0.000 0.233 552 D C 1.216 177.504 176.300 -0.020 0.000 1.149 552 D CA 1.867 55.868 54.000 0.001 0.000 0.682 552 D CB -1.640 39.161 40.800 0.001 0.000 1.068 552 D HN 1.611 nan 8.370 nan 0.000 0.429 553 G N -0.420 108.360 108.800 -0.033 0.000 2.176 553 G HA2 -0.411 3.555 3.960 0.009 0.000 0.253 553 G HA3 -0.411 3.555 3.960 0.009 0.000 0.253 553 G C 1.107 175.972 174.900 -0.058 0.000 0.979 553 G CA 0.716 45.788 45.100 -0.046 0.000 0.641 553 G HN 0.488 nan 8.290 nan 0.000 0.530 554 K N -0.304 120.059 120.400 -0.062 0.000 2.217 554 K HA 0.000 4.326 4.320 0.009 0.000 0.202 554 K C 0.753 177.306 176.600 -0.079 0.000 1.051 554 K CA 0.673 56.922 56.287 -0.064 0.000 0.952 554 K CB 0.045 32.508 32.500 -0.063 0.000 0.736 554 K HN 0.331 nan 8.250 nan 0.000 0.453 555 N N 1.200 119.830 118.700 -0.116 0.000 2.417 555 N HA 0.068 4.814 4.740 0.009 0.000 0.274 555 N C -0.076 175.315 175.510 -0.199 0.000 0.987 555 N CA -0.125 52.827 53.050 -0.163 0.000 0.912 555 N CB 1.232 39.571 38.487 -0.246 0.000 1.177 555 N HN -0.208 nan 8.380 nan 0.000 0.490 556 K N 1.224 121.535 120.400 -0.148 0.000 2.374 556 K HA 0.149 4.475 4.320 0.009 0.000 0.196 556 K C -0.545 175.972 176.600 -0.138 0.000 1.023 556 K CA -0.111 56.102 56.287 -0.123 0.000 1.103 556 K CB 0.162 32.622 32.500 -0.067 0.000 0.848 556 K HN 0.566 nan 8.250 nan 0.000 0.528 557 D N 1.732 122.008 120.400 -0.207 0.000 2.382 557 D HA -0.034 4.611 4.640 0.009 0.000 0.240 557 D C 0.989 177.158 176.300 -0.218 0.000 1.146 557 D CA 0.088 53.986 54.000 -0.171 0.000 0.897 557 D CB 0.794 41.506 40.800 -0.146 0.000 1.197 557 D HN -0.097 nan 8.370 nan 0.000 0.432 558 D N 0.991 121.365 120.400 -0.042 0.000 2.154 558 D HA -0.197 4.448 4.640 0.009 0.000 0.190 558 D C 2.063 178.384 176.300 0.035 0.000 1.003 558 D CA 1.133 55.144 54.000 0.019 0.000 0.849 558 D CB -0.252 40.606 40.800 0.096 0.000 0.942 558 D HN 0.704 nan 8.370 nan 0.000 0.446 559 W N 0.592 121.912 121.300 0.034 0.000 2.465 559 W HA 0.164 4.830 4.660 0.009 0.000 0.268 559 W C 1.381 177.910 176.519 0.017 0.000 1.242 559 W CA 1.031 58.390 57.345 0.024 0.000 1.248 559 W CB -0.500 28.974 29.460 0.025 0.000 1.118 559 W HN -0.018 nan 8.180 nan 0.000 0.587 560 A N 1.621 124.009 122.820 -0.720 0.000 2.259 560 A HA 0.023 4.348 4.320 0.009 0.000 0.213 560 A C 2.107 179.499 177.584 -0.319 0.000 1.209 560 A CA 0.542 52.154 52.037 -0.709 0.000 0.910 560 A CB -0.391 17.793 19.000 -1.360 0.000 0.946 560 A HN 0.282 nan 8.150 nan 0.000 0.497 561 K N 0.078 120.330 120.400 -0.246 0.000 2.160 561 K HA -0.186 4.139 4.320 0.009 0.000 0.206 561 K C 0.197 176.759 176.600 -0.063 0.000 1.047 561 K CA 1.837 58.044 56.287 -0.133 0.000 0.930 561 K CB -0.247 32.194 32.500 -0.097 0.000 0.720 561 K HN 0.249 nan 8.250 nan 0.000 0.450 562 D N 0.834 121.215 120.400 -0.031 0.000 2.379 562 D HA 0.141 4.787 4.640 0.009 0.000 0.208 562 D C 0.588 176.913 176.300 0.043 0.000 1.065 562 D CA 0.005 54.009 54.000 0.007 0.000 0.848 562 D CB 0.175 40.985 40.800 0.016 0.000 0.949 562 D HN 0.169 nan 8.370 nan 0.000 0.509 563 L N 1.210 122.474 121.223 0.068 0.000 2.483 563 L HA 0.064 4.410 4.340 0.009 0.000 0.276 563 L C 0.706 177.679 176.870 0.170 0.000 1.213 563 L CA 0.363 55.309 54.840 0.177 0.000 0.843 563 L CB 0.313 42.533 42.059 0.268 0.000 1.107 563 L HN -0.353 nan 8.230 nan 0.000 0.487 564 K N 1.687 122.226 120.400 0.232 0.000 2.371 564 K HA 0.174 4.500 4.320 0.009 0.000 0.251 564 K C 0.199 176.969 176.600 0.284 0.000 0.934 564 K CA -0.635 55.758 56.287 0.178 0.000 0.798 564 K CB 1.925 34.482 32.500 0.094 0.000 1.204 564 K HN 0.525 nan 8.250 nan 0.000 0.427 565 Q N 1.920 121.834 119.800 0.190 0.000 2.096 565 Q HA -0.140 4.205 4.340 0.009 0.000 0.204 565 Q C 0.932 177.067 176.000 0.224 0.000 0.982 565 Q CA 1.627 57.548 55.803 0.196 0.000 0.850 565 Q CB 0.170 28.951 28.738 0.073 0.000 0.901 565 Q HN 0.417 nan 8.270 nan 0.000 0.422 566 M N 0.780 120.455 119.600 0.125 0.000 2.549 566 M HA -0.079 4.407 4.480 0.009 0.000 0.260 566 M C 0.532 176.845 176.300 0.022 0.000 1.076 566 M CA 0.907 56.249 55.300 0.070 0.000 1.090 566 M CB -0.401 32.218 32.600 0.031 0.000 1.418 566 M HN 0.148 nan 8.290 nan 0.000 0.486 567 D N -0.189 120.201 120.400 -0.016 0.000 2.336 567 D HA 0.136 4.782 4.640 0.009 0.000 0.229 567 D C -0.346 175.549 176.300 -0.674 0.000 1.061 567 D CA 0.385 54.197 54.000 -0.313 0.000 0.875 567 D CB -0.004 40.547 40.800 -0.414 0.000 0.904 567 D HN 0.173 nan 8.370 nan 0.000 0.525 568 F N 0.129 120.117 119.950 0.062 0.000 2.603 568 F HA 0.425 4.958 4.527 0.010 0.000 0.317 568 F C 0.572 176.394 175.800 0.038 0.000 1.066 568 F CA -0.912 57.130 58.000 0.070 0.000 0.941 568 F CB 2.023 41.094 39.000 0.118 0.000 1.291 568 F HN -0.388 nan 8.300 nan 0.000 0.472 569 E N 0.984 121.305 120.200 0.201 0.000 2.456 569 E HA 0.647 5.002 4.350 0.009 0.000 0.276 569 E C -1.641 175.023 176.600 0.107 0.000 0.981 569 E CA -1.003 55.467 56.400 0.116 0.000 0.814 569 E CB 3.122 32.862 29.700 0.066 0.000 1.382 569 E HN 0.373 nan 8.360 nan 0.000 0.459 570 L N 1.561 122.824 121.223 0.067 0.000 2.334 570 L HA 0.487 4.833 4.340 0.009 0.000 0.276 570 L C -0.644 176.255 176.870 0.048 0.000 1.014 570 L CA -0.866 54.004 54.840 0.050 0.000 0.815 570 L CB 1.013 43.088 42.059 0.028 0.000 1.268 570 L HN 0.282 nan 8.230 nan 0.000 0.428 571 L N 2.132 123.391 121.223 0.060 0.000 2.276 571 L HA 0.367 4.713 4.340 0.009 0.000 0.286 571 L C -0.459 176.406 176.870 -0.008 0.000 1.061 571 L CA -0.426 54.465 54.840 0.085 0.000 0.807 571 L CB 1.133 43.317 42.059 0.208 0.000 1.177 571 L HN 0.678 nan 8.230 nan 0.000 0.429 572 c N 1.734 120.315 118.600 -0.031 0.000 2.351 572 c HA 0.184 4.760 4.570 0.009 0.000 0.359 572 c C 1.629 175.598 174.090 -0.202 0.000 1.193 572 c CA -0.670 55.577 56.329 -0.137 0.000 2.270 572 c CB 1.245 43.700 42.510 -0.091 0.000 2.369 572 c HN 0.840 nan 8.230 nan 0.000 0.553 573 Q N 1.244 120.823 119.800 -0.368 0.000 2.364 573 Q HA -0.142 4.204 4.340 0.009 0.000 0.207 573 Q C 1.334 177.306 176.000 -0.046 0.000 0.970 573 Q CA 1.206 56.747 55.803 -0.438 0.000 0.888 573 Q CB -0.092 28.386 28.738 -0.434 0.000 0.951 573 Q HN 0.818 nan 8.270 nan 0.000 0.469 574 N N -1.039 117.643 118.700 -0.028 0.000 2.322 574 N HA 0.042 4.788 4.740 0.009 0.000 0.194 574 N C 0.924 176.477 175.510 0.072 0.000 1.126 574 N CA 0.897 53.964 53.050 0.029 0.000 0.845 574 N CB 0.676 39.161 38.487 -0.004 0.000 0.976 574 N HN 0.206 nan 8.380 nan 0.000 0.475 575 G N -1.330 107.539 108.800 0.115 0.000 2.234 575 G HA2 -0.207 3.759 3.960 0.009 0.000 0.235 575 G HA3 -0.207 3.759 3.960 0.009 0.000 0.235 575 G C 0.367 175.321 174.900 0.089 0.000 0.997 575 G CA 0.171 45.350 45.100 0.132 0.000 0.623 575 G HN 0.800 nan 8.290 nan 0.000 0.514 576 A N -0.123 122.728 122.820 0.051 0.000 2.292 576 A HA 0.831 5.157 4.320 0.009 0.000 0.265 576 A C 0.635 178.242 177.584 0.039 0.000 1.133 576 A CA 0.495 52.553 52.037 0.036 0.000 0.807 576 A CB 0.419 19.427 19.000 0.014 0.000 1.102 576 A HN 0.584 nan 8.150 nan 0.000 0.502 577 R N -0.327 120.192 120.500 0.031 0.000 2.750 577 R HA 0.572 4.917 4.340 0.009 0.000 0.281 577 R C -1.156 175.156 176.300 0.020 0.000 0.972 577 R CA -0.567 55.553 56.100 0.033 0.000 0.912 577 R CB 1.867 32.191 30.300 0.040 0.000 1.187 577 R HN 0.754 nan 8.270 nan 0.000 0.464 578 E N 1.842 122.054 120.200 0.021 0.000 2.367 578 E HA 0.377 4.733 4.350 0.009 0.000 0.273 578 E C -2.570 174.045 176.600 0.025 0.000 0.903 578 E CA -2.206 54.204 56.400 0.016 0.000 0.764 578 E CB 2.165 31.868 29.700 0.006 0.000 1.252 578 E HN 0.282 nan 8.360 nan 0.000 0.446 579 P HA -0.021 nan 4.420 nan 0.000 0.271 579 P C 1.150 178.466 177.300 0.028 0.000 1.233 579 P CA -0.102 63.016 63.100 0.030 0.000 0.789 579 P CB 0.453 32.165 31.700 0.021 0.000 0.951 580 V N -1.617 118.318 119.914 0.035 0.000 3.217 580 V HA -0.107 4.019 4.120 0.009 0.000 0.264 580 V C 1.254 177.341 176.094 -0.012 0.000 1.135 580 V CA 1.755 64.062 62.300 0.013 0.000 1.142 580 V CB -1.505 30.323 31.823 0.007 0.000 0.754 580 V HN 0.478 nan 8.190 nan 0.000 0.484 581 D N 0.412 120.809 120.400 -0.006 0.000 2.363 581 D HA -0.090 4.556 4.640 0.009 0.000 0.226 581 D C 1.183 177.477 176.300 -0.009 0.000 1.020 581 D CA 0.691 54.682 54.000 -0.015 0.000 0.892 581 D CB -0.602 40.192 40.800 -0.010 0.000 0.900 581 D HN 0.549 nan 8.370 nan 0.000 0.531 582 N N -0.292 118.407 118.700 -0.001 0.000 2.467 582 N HA 0.328 5.073 4.740 0.009 0.000 0.278 582 N C 0.958 176.479 175.510 0.019 0.000 1.306 582 N CA 0.157 53.211 53.050 0.006 0.000 0.905 582 N CB 0.393 38.884 38.487 0.006 0.000 1.236 582 N HN 0.111 nan 8.380 nan 0.000 0.509 583 A N 0.188 123.019 122.820 0.019 0.000 2.019 583 A HA -0.097 4.228 4.320 0.009 0.000 0.219 583 A C 1.807 179.470 177.584 0.131 0.000 1.164 583 A CA 1.072 53.139 52.037 0.051 0.000 0.644 583 A CB -0.190 18.819 19.000 0.015 0.000 0.805 583 A HN 0.405 nan 8.150 nan 0.000 0.449 584 E N 0.467 120.716 120.200 0.081 0.000 2.209 584 E HA -0.147 4.208 4.350 0.009 0.000 0.196 584 E C 0.498 177.209 176.600 0.185 0.000 0.993 584 E CA 0.912 57.381 56.400 0.116 0.000 0.819 584 E CB -0.282 29.438 29.700 0.032 0.000 0.745 584 E HN 0.616 nan 8.360 nan 0.000 0.477 585 N N -0.349 118.403 118.700 0.087 0.000 2.214 585 N HA 0.031 4.777 4.740 0.009 0.000 0.214 585 N C -0.325 175.149 175.510 -0.061 0.000 1.132 585 N CA 0.066 53.123 53.050 0.011 0.000 0.856 585 N CB 0.828 39.313 38.487 -0.003 0.000 1.020 585 N HN -0.013 nan 8.380 nan 0.000 0.509 586 c N 2.439 121.014 118.600 -0.041 0.000 3.355 586 c HA 0.243 4.818 4.570 0.009 0.000 0.287 586 c C -0.754 173.298 174.090 -0.063 0.000 1.036 586 c CA -0.515 55.753 56.329 -0.101 0.000 1.246 586 c CB -1.154 41.329 42.510 -0.044 0.000 1.754 586 c HN 0.515 nan 8.230 nan 0.000 0.592 587 H N 1.244 120.252 119.070 -0.102 0.000 2.941 587 H HA 0.515 5.076 4.556 0.010 0.000 0.344 587 H C -0.250 174.981 175.328 -0.163 0.000 1.235 587 H CA -0.779 55.205 56.048 -0.107 0.000 1.149 587 H CB 1.002 30.719 29.762 -0.075 0.000 1.885 587 H HN 0.315 nan 8.280 nan 0.000 0.558 588 L N -0.185 121.047 121.223 0.015 0.000 2.221 588 L HA 0.436 4.782 4.340 0.009 0.000 0.202 588 L C 0.908 177.801 176.870 0.037 0.000 1.074 588 L CA 1.008 55.782 54.840 -0.111 0.000 0.795 588 L CB 0.054 42.052 42.059 -0.101 0.000 0.960 588 L HN 0.805 nan 8.230 nan 0.000 0.458 589 A N -0.655 122.274 122.820 0.181 0.000 2.544 589 A HA 0.406 4.732 4.320 0.009 0.000 0.291 589 A C -1.046 176.536 177.584 -0.002 0.000 1.055 589 A CA -0.662 51.470 52.037 0.158 0.000 0.651 589 A CB 0.902 19.941 19.000 0.066 0.000 1.296 589 A HN 0.049 nan 8.150 nan 0.000 0.431 590 R N 0.466 120.922 120.500 -0.075 0.000 2.491 590 R HA 0.527 4.873 4.340 0.009 0.000 0.283 590 R C -0.172 175.980 176.300 -0.246 0.000 1.072 590 R CA 0.596 56.577 56.100 -0.198 0.000 1.048 590 R CB 0.610 30.822 30.300 -0.146 0.000 0.983 590 R HN 1.243 nan 8.270 nan 0.000 0.450 591 A N 6.636 129.180 122.820 -0.460 0.000 2.318 591 A HA 0.506 4.831 4.320 0.009 0.000 0.317 591 A C -2.444 174.755 177.584 -0.641 0.000 1.159 591 A CA -2.060 49.553 52.037 -0.706 0.000 0.799 591 A CB 1.345 19.530 19.000 -1.358 0.000 1.194 591 A HN 0.561 nan 8.150 nan 0.000 0.479 592 P HA 0.100 nan 4.420 nan 0.000 0.268 592 P C -0.447 176.919 177.300 0.110 0.000 1.205 592 P CA -0.224 62.723 63.100 -0.254 0.000 0.771 592 P CB 0.436 31.950 31.700 -0.309 0.000 0.858 593 N N 1.322 120.198 118.700 0.293 0.000 2.441 593 N HA -0.003 4.743 4.740 0.009 0.000 0.251 593 N C 0.372 176.298 175.510 0.693 0.000 1.242 593 N CA 0.285 53.711 53.050 0.626 0.000 0.898 593 N CB -0.307 38.380 38.487 0.333 0.000 1.100 593 N HN 0.464 nan 8.380 nan 0.000 0.443 594 H N -0.011 119.393 119.070 0.557 0.000 2.913 594 H HA 0.333 4.894 4.556 0.009 0.000 0.365 594 H C -0.117 175.401 175.328 0.317 0.000 1.155 594 H CA -0.212 56.088 56.048 0.420 0.000 1.417 594 H CB 0.589 30.599 29.762 0.413 0.000 1.386 594 H HN 0.572 nan 8.280 nan 0.000 0.614 595 A N 1.878 124.902 122.820 0.340 0.000 2.594 595 A HA 0.391 4.717 4.320 0.009 0.000 0.295 595 A C -0.952 176.729 177.584 0.161 0.000 1.071 595 A CA -0.709 51.427 52.037 0.164 0.000 0.685 595 A CB 1.176 20.057 19.000 -0.199 0.000 1.285 595 A HN 0.423 nan 8.150 nan 0.000 0.405 596 V N 1.778 121.800 119.914 0.179 0.000 2.555 596 V HA 0.442 4.567 4.120 0.009 0.000 0.286 596 V C 0.505 176.612 176.094 0.021 0.000 1.044 596 V CA 0.116 62.518 62.300 0.171 0.000 1.026 596 V CB 0.895 32.913 31.823 0.326 0.000 0.981 596 V HN 1.157 nan 8.190 nan 0.000 0.480 597 V N 2.528 122.416 119.914 -0.044 0.000 2.881 597 V HA 1.091 5.217 4.120 0.009 0.000 0.316 597 V C -0.131 175.895 176.094 -0.113 0.000 1.070 597 V CA -0.421 61.834 62.300 -0.075 0.000 0.976 597 V CB 1.666 33.445 31.823 -0.074 0.000 1.038 597 V HN 1.206 nan 8.190 nan 0.000 0.446 598 A N 2.366 125.128 122.820 -0.097 0.000 2.599 598 A HA 0.772 5.098 4.320 0.009 0.000 0.290 598 A C -0.435 177.081 177.584 -0.112 0.000 1.101 598 A CA -1.113 50.858 52.037 -0.109 0.000 0.674 598 A CB 1.399 20.354 19.000 -0.075 0.000 1.277 598 A HN 0.938 nan 8.150 nan 0.000 0.419 599 R N -0.027 120.388 120.500 -0.142 0.000 2.694 599 R HA 0.141 4.487 4.340 0.009 0.000 0.268 599 R C 0.629 176.848 176.300 -0.135 0.000 1.061 599 R CA 0.482 56.466 56.100 -0.192 0.000 1.133 599 R CB 0.439 30.550 30.300 -0.316 0.000 1.020 599 R HN 0.869 nan 8.270 nan 0.000 0.475 600 D N 1.114 121.437 120.400 -0.129 0.000 2.182 600 D HA -0.222 4.424 4.640 0.009 0.000 0.201 600 D C 0.862 177.133 176.300 -0.048 0.000 0.986 600 D CA 1.461 55.421 54.000 -0.068 0.000 0.847 600 D CB -0.237 40.535 40.800 -0.046 0.000 0.942 600 D HN 0.623 nan 8.370 nan 0.000 0.467 601 D N 0.331 120.693 120.400 -0.064 0.000 2.312 601 D HA -0.147 4.499 4.640 0.009 0.000 0.211 601 D C 1.178 177.475 176.300 -0.005 0.000 0.964 601 D CA 0.654 54.646 54.000 -0.013 0.000 0.877 601 D CB -0.227 40.593 40.800 0.034 0.000 0.924 601 D HN 0.224 nan 8.370 nan 0.000 0.515 602 K N 0.296 120.681 120.400 -0.024 0.000 2.387 602 K HA 0.184 4.509 4.320 0.009 0.000 0.203 602 K C 1.687 178.287 176.600 0.001 0.000 1.030 602 K CA -0.139 56.145 56.287 -0.006 0.000 1.099 602 K CB 1.359 33.851 32.500 -0.014 0.000 0.863 602 K HN 0.012 nan 8.250 nan 0.000 0.529 603 V N 1.381 121.293 119.914 -0.003 0.000 2.287 603 V HA -0.281 3.845 4.120 0.009 0.000 0.248 603 V C 2.096 178.206 176.094 0.027 0.000 1.053 603 V CA 2.239 64.543 62.300 0.008 0.000 1.027 603 V CB -0.541 31.285 31.823 0.004 0.000 0.646 603 V HN 0.349 nan 8.190 nan 0.000 0.447 604 T N -1.216 113.354 114.554 0.026 0.000 2.708 604 T HA -0.265 4.091 4.350 0.009 0.000 0.266 604 T C 1.972 176.697 174.700 0.042 0.000 1.037 604 T CA 1.829 63.950 62.100 0.034 0.000 1.146 604 T CB -0.617 68.268 68.868 0.028 0.000 0.865 604 T HN 0.679 nan 8.240 nan 0.000 0.435 605 c N 1.390 120.014 118.600 0.039 0.000 2.432 605 c HA -0.051 4.525 4.570 0.009 0.000 0.277 605 c C 2.727 176.855 174.090 0.063 0.000 1.249 605 c CA 0.611 56.966 56.329 0.044 0.000 1.725 605 c CB -1.278 41.253 42.510 0.035 0.000 2.028 605 c HN 0.371 nan 8.230 nan 0.000 0.477 606 V N 1.845 121.798 119.914 0.065 0.000 2.295 606 V HA -0.111 4.015 4.120 0.009 0.000 0.246 606 V C 3.026 179.201 176.094 0.135 0.000 1.049 606 V CA 2.248 64.610 62.300 0.104 0.000 1.024 606 V CB -1.454 30.421 31.823 0.086 0.000 0.648 606 V HN 0.726 nan 8.190 nan 0.000 0.447 607 A N -0.189 122.694 122.820 0.106 0.000 1.858 607 A HA -0.256 4.070 4.320 0.009 0.000 0.216 607 A C 2.173 179.822 177.584 0.108 0.000 1.190 607 A CA 1.978 54.082 52.037 0.111 0.000 0.617 607 A CB -0.561 18.487 19.000 0.080 0.000 0.827 607 A HN 0.618 nan 8.150 nan 0.000 0.443 608 E N -0.888 119.362 120.200 0.083 0.000 2.058 608 E HA -0.257 4.098 4.350 0.009 0.000 0.194 608 E C 2.087 178.739 176.600 0.087 0.000 0.997 608 E CA 1.445 57.889 56.400 0.073 0.000 0.801 608 E CB -0.141 29.592 29.700 0.055 0.000 0.746 608 E HN 0.678 nan 8.360 nan 0.000 0.450 609 E N 1.152 121.411 120.200 0.098 0.000 2.072 609 E HA -0.120 4.236 4.350 0.009 0.000 0.191 609 E C 1.982 178.677 176.600 0.158 0.000 0.985 609 E CA 0.819 57.283 56.400 0.108 0.000 0.801 609 E CB -0.184 29.573 29.700 0.095 0.000 0.750 609 E HN 0.195 nan 8.360 nan 0.000 0.452 610 L N -0.026 121.320 121.223 0.204 0.000 2.093 610 L HA -0.131 4.215 4.340 0.009 0.000 0.208 610 L C 2.417 179.411 176.870 0.207 0.000 1.085 610 L CA 0.767 55.772 54.840 0.274 0.000 0.755 610 L CB -0.351 41.914 42.059 0.344 0.000 0.904 610 L HN 0.225 nan 8.230 nan 0.000 0.435 611 L N -0.509 120.804 121.223 0.150 0.000 2.093 611 L HA -0.212 4.134 4.340 0.009 0.000 0.208 611 L C 2.572 179.495 176.870 0.089 0.000 1.085 611 L CA 1.283 56.188 54.840 0.110 0.000 0.755 611 L CB -0.427 41.681 42.059 0.080 0.000 0.904 611 L HN 0.222 nan 8.230 nan 0.000 0.435 612 K N -0.609 119.843 120.400 0.087 0.000 2.103 612 K HA -0.140 4.186 4.320 0.009 0.000 0.204 612 K C 2.234 178.871 176.600 0.061 0.000 1.052 612 K CA 0.823 57.144 56.287 0.057 0.000 0.945 612 K CB -0.024 32.508 32.500 0.053 0.000 0.722 612 K HN 0.262 nan 8.250 nan 0.000 0.443 613 Q N 0.886 120.780 119.800 0.156 0.000 2.061 613 Q HA -0.237 4.109 4.340 0.009 0.000 0.204 613 Q C 2.141 178.218 176.000 0.128 0.000 0.984 613 Q CA 1.797 57.754 55.803 0.256 0.000 0.846 613 Q CB -0.256 28.815 28.738 0.555 0.000 0.902 613 Q HN 0.571 nan 8.270 nan 0.000 0.421 614 Q N -0.411 119.457 119.800 0.114 0.000 2.297 614 Q HA 0.051 4.396 4.340 0.009 0.000 0.204 614 Q C 1.838 177.905 176.000 0.111 0.000 0.962 614 Q CA 1.105 56.950 55.803 0.070 0.000 0.879 614 Q CB -0.191 28.631 28.738 0.139 0.000 0.947 614 Q HN 0.224 nan 8.270 nan 0.000 0.462 615 A N 1.111 123.969 122.820 0.064 0.000 1.972 615 A HA -0.212 4.113 4.320 0.009 0.000 0.219 615 A C 1.946 179.554 177.584 0.040 0.000 1.169 615 A CA 1.621 53.681 52.037 0.039 0.000 0.635 615 A CB -0.300 18.682 19.000 -0.029 0.000 0.810 615 A HN 0.568 nan 8.150 nan 0.000 0.446 616 Q N -1.939 117.755 119.800 -0.176 0.000 2.165 616 Q HA 0.139 4.484 4.340 0.009 0.000 0.197 616 Q C 0.832 176.528 176.000 -0.506 0.000 0.952 616 Q CA 1.043 56.565 55.803 -0.469 0.000 0.848 616 Q CB 0.030 28.067 28.738 -1.169 0.000 0.931 616 Q HN 0.780 nan 8.270 nan 0.000 0.470 617 F N 0.076 120.015 119.950 -0.017 0.000 2.639 617 F HA 0.326 4.858 4.527 0.009 0.000 0.302 617 F C 1.257 176.796 175.800 -0.435 0.000 1.097 617 F CA -0.800 57.077 58.000 -0.205 0.000 1.294 617 F CB 0.499 39.428 39.000 -0.118 0.000 1.027 617 F HN -0.000 nan 8.300 nan 0.000 0.550 618 G N 0.325 108.972 108.800 -0.255 0.000 2.489 618 G HA2 0.081 4.047 3.960 0.009 0.000 0.271 618 G HA3 0.081 4.047 3.960 0.009 0.000 0.271 618 G C 1.106 175.851 174.900 -0.257 0.000 1.427 618 G CA -0.385 44.609 45.100 -0.176 0.000 1.057 618 G HN 0.001 nan 8.290 nan 0.000 0.532 619 R N 0.008 120.528 120.500 0.033 0.000 2.159 619 R HA -0.110 4.236 4.340 0.009 0.000 0.237 619 R C 2.149 178.405 176.300 -0.072 0.000 1.131 619 R CA 1.535 57.636 56.100 0.001 0.000 0.982 619 R CB -0.714 29.620 30.300 0.056 0.000 0.868 619 R HN 0.836 nan 8.270 nan 0.000 0.453 620 H N -0.794 118.281 119.070 0.008 0.000 2.545 620 H HA 0.056 4.617 4.556 0.009 0.000 0.282 620 H C 0.261 175.583 175.328 -0.010 0.000 1.020 620 H CA 0.088 56.132 56.048 -0.006 0.000 1.243 620 H CB -0.437 29.319 29.762 -0.011 0.000 1.377 620 H HN -0.183 nan 8.280 nan 0.000 0.581 621 V N 4.073 123.744 119.914 -0.406 0.000 2.409 621 V HA -0.085 4.041 4.120 0.009 0.000 0.270 621 V C 1.875 177.917 176.094 -0.088 0.000 1.019 621 V CA 0.983 63.160 62.300 -0.206 0.000 1.066 621 V CB 0.742 32.424 31.823 -0.234 0.000 1.021 621 V HN 0.660 nan 8.190 nan 0.000 0.476 622 T N 0.314 114.852 114.554 -0.026 0.000 3.023 622 T HA -0.040 4.316 4.350 0.009 0.000 0.266 622 T C 0.581 175.267 174.700 -0.024 0.000 1.093 622 T CA 0.698 62.787 62.100 -0.018 0.000 1.129 622 T CB -0.030 68.840 68.868 0.004 0.000 0.899 622 T HN 0.560 nan 8.240 nan 0.000 0.491 623 D N 0.702 121.088 120.400 -0.023 0.000 2.438 623 D HA 0.312 4.958 4.640 0.009 0.000 0.257 623 D C -1.104 175.178 176.300 -0.030 0.000 1.148 623 D CA -0.703 53.285 54.000 -0.020 0.000 0.902 623 D CB 0.167 40.965 40.800 -0.003 0.000 1.062 623 D HN 0.282 nan 8.370 nan 0.000 0.518 624 c N 2.828 121.396 118.600 -0.053 0.000 2.442 624 c HA 0.617 5.192 4.570 0.009 0.000 0.362 624 c C 1.357 175.419 174.090 -0.048 0.000 1.242 624 c CA -0.287 55.995 56.329 -0.078 0.000 1.741 624 c CB -0.774 41.664 42.510 -0.120 0.000 2.378 624 c HN 0.801 nan 8.230 nan 0.000 0.549 625 S N 0.773 116.458 115.700 -0.025 0.000 6.452 625 S HA -0.142 4.334 4.470 0.009 0.000 0.061 625 S C 1.651 176.260 174.600 0.014 0.000 1.296 625 S CA 0.658 58.855 58.200 -0.005 0.000 1.207 625 S CB -1.309 61.888 63.200 -0.006 0.000 1.220 625 S HN 0.767 nan 8.310 nan 0.000 0.486 626 S N 0.722 116.432 115.700 0.017 0.000 2.414 626 S HA 0.339 4.815 4.470 0.009 0.000 0.227 626 S C 0.830 175.461 174.600 0.050 0.000 1.022 626 S CA 1.579 59.797 58.200 0.030 0.000 0.958 626 S CB 0.068 63.285 63.200 0.028 0.000 0.797 626 S HN 0.591 nan 8.310 nan 0.000 0.493 627 S N -0.851 114.882 115.700 0.055 0.000 2.759 627 S HA 0.656 5.131 4.470 0.009 0.000 0.310 627 S C -1.144 173.505 174.600 0.080 0.000 1.123 627 S CA -0.834 57.427 58.200 0.103 0.000 0.959 627 S CB 0.817 64.103 63.200 0.144 0.000 1.172 627 S HN 0.359 nan 8.310 nan 0.000 0.539 628 F N 1.402 121.284 119.950 -0.113 0.000 2.385 628 F HA 0.629 5.162 4.527 0.009 0.000 0.336 628 F C -0.621 175.040 175.800 -0.233 0.000 1.100 628 F CA -1.045 56.788 58.000 -0.279 0.000 1.116 628 F CB 0.716 39.339 39.000 -0.629 0.000 1.166 628 F HN 0.479 nan 8.300 nan 0.000 0.511 629 c N 8.036 125.897 118.600 -1.232 0.000 2.316 629 c HA 0.300 4.876 4.570 0.009 0.000 0.324 629 c C 1.486 174.733 174.090 -1.404 0.000 1.226 629 c CA -0.670 55.078 56.329 -0.968 0.000 1.450 629 c CB 0.399 42.609 42.510 -0.500 0.000 2.123 629 c HN 1.055 nan 8.230 nan 0.000 0.454 630 M N 1.514 120.330 119.600 -1.307 0.000 2.149 630 M HA -0.071 4.415 4.480 0.009 0.000 0.261 630 M C 0.630 176.394 176.300 -0.893 0.000 1.064 630 M CA 2.207 56.726 55.300 -1.300 0.000 1.102 630 M CB -0.027 31.598 32.600 -1.625 0.000 1.369 630 M HN 0.670 nan 8.290 nan 0.000 0.408 631 F N 0.183 119.910 119.950 -0.371 0.000 2.641 631 F HA 0.193 4.725 4.527 0.009 0.000 0.302 631 F C 0.610 176.318 175.800 -0.154 0.000 1.098 631 F CA -0.377 57.500 58.000 -0.204 0.000 1.318 631 F CB -0.558 38.317 39.000 -0.209 0.000 1.035 631 F HN -0.036 nan 8.300 nan 0.000 0.551 632 K N 0.146 120.472 120.400 -0.123 0.000 2.203 632 K HA 0.700 5.025 4.320 0.009 0.000 0.251 632 K C -0.450 176.101 176.600 -0.083 0.000 0.944 632 K CA -0.510 55.727 56.287 -0.083 0.000 0.829 632 K CB 1.936 34.359 32.500 -0.129 0.000 1.125 632 K HN -0.054 nan 8.250 nan 0.000 0.430 633 S N 1.612 117.299 115.700 -0.022 0.000 2.571 633 S HA 0.292 4.767 4.470 0.009 0.000 0.284 633 S C -0.028 174.579 174.600 0.012 0.000 1.128 633 S CA -0.945 57.253 58.200 -0.003 0.000 0.970 633 S CB 1.402 64.627 63.200 0.042 0.000 1.039 633 S HN 0.627 nan 8.310 nan 0.000 0.485 634 N N 2.317 121.022 118.700 0.009 0.000 2.096 634 N HA -0.112 4.634 4.740 0.009 0.000 0.195 634 N C 1.156 176.694 175.510 0.046 0.000 1.017 634 N CA 2.266 55.329 53.050 0.022 0.000 0.870 634 N CB -0.442 38.057 38.487 0.021 0.000 1.024 634 N HN 0.805 nan 8.380 nan 0.000 0.434 635 T N -0.973 113.618 114.554 0.061 0.000 3.274 635 T HA 0.277 4.632 4.350 0.009 0.000 0.186 635 T C -0.022 174.737 174.700 0.098 0.000 0.799 635 T CA 0.152 62.305 62.100 0.088 0.000 1.611 635 T CB 0.424 69.350 68.868 0.097 0.000 2.155 635 T HN -0.124 nan 8.240 nan 0.000 0.427 636 K N 1.458 121.924 120.400 0.109 0.000 2.651 636 K HA 0.360 4.686 4.320 0.009 0.000 0.259 636 K C -1.927 174.749 176.600 0.127 0.000 1.017 636 K CA -0.295 56.064 56.287 0.120 0.000 0.897 636 K CB 0.853 33.440 32.500 0.144 0.000 1.262 636 K HN 0.309 nan 8.250 nan 0.000 0.460 637 D N 2.146 122.623 120.400 0.129 0.000 2.699 637 D HA -0.211 4.435 4.640 0.009 0.000 0.239 637 D C -0.657 175.736 176.300 0.154 0.000 1.136 637 D CA 0.819 54.914 54.000 0.158 0.000 0.668 637 D CB -0.945 39.961 40.800 0.177 0.000 1.060 637 D HN 0.405 nan 8.370 nan 0.000 0.429 638 L N 0.500 121.798 121.223 0.124 0.000 2.315 638 L HA 0.236 4.581 4.340 0.009 0.000 0.283 638 L C 2.003 178.916 176.870 0.072 0.000 1.089 638 L CA -0.422 54.476 54.840 0.096 0.000 0.833 638 L CB 0.372 42.471 42.059 0.066 0.000 1.170 638 L HN 0.241 nan 8.230 nan 0.000 0.442 639 L N 1.355 122.600 121.223 0.037 0.000 3.417 639 L HA -0.345 4.000 4.340 0.009 0.000 0.368 639 L C -0.164 176.470 176.870 -0.394 0.000 0.810 639 L CA 1.480 56.232 54.840 -0.146 0.000 3.108 639 L CB -1.195 40.671 42.059 -0.321 0.000 0.687 639 L HN 0.388 nan 8.230 nan 0.000 0.756 640 F N -1.076 119.029 119.950 0.258 0.000 2.611 640 F HA 0.592 5.124 4.527 0.008 0.000 0.324 640 F C 0.838 176.781 175.800 0.238 0.000 1.061 640 F CA -0.847 57.335 58.000 0.303 0.000 0.954 640 F CB 0.917 40.134 39.000 0.361 0.000 1.301 640 F HN -0.206 nan 8.300 nan 0.000 0.482 641 R N 0.989 121.747 120.500 0.429 0.000 2.570 641 R HA 0.028 4.373 4.340 0.009 0.000 0.277 641 R C 0.316 176.728 176.300 0.187 0.000 1.039 641 R CA -0.021 56.219 56.100 0.234 0.000 1.065 641 R CB 0.290 30.642 30.300 0.086 0.000 0.964 641 R HN 0.590 nan 8.270 nan 0.000 0.428 642 D N 1.556 122.021 120.400 0.108 0.000 2.309 642 D HA -0.133 4.513 4.640 0.009 0.000 0.212 642 D C 0.650 176.958 176.300 0.014 0.000 0.968 642 D CA 1.221 55.263 54.000 0.071 0.000 0.882 642 D CB 0.080 40.905 40.800 0.041 0.000 0.918 642 D HN 0.569 nan 8.370 nan 0.000 0.503 643 D N -0.634 119.745 120.400 -0.035 0.000 2.342 643 D HA -0.033 4.612 4.640 0.009 0.000 0.221 643 D C -0.000 176.324 176.300 0.041 0.000 1.101 643 D CA -0.130 53.837 54.000 -0.054 0.000 0.837 643 D CB -0.673 40.026 40.800 -0.169 0.000 0.938 643 D HN -0.248 nan 8.370 nan 0.000 0.508 644 T N 1.697 116.261 114.554 0.018 0.000 2.817 644 T HA 0.004 4.360 4.350 0.009 0.000 0.295 644 T C 1.146 175.583 174.700 -0.438 0.000 0.958 644 T CA -0.016 61.968 62.100 -0.194 0.000 1.157 644 T CB 1.371 69.996 68.868 -0.406 0.000 0.898 644 T HN 0.052 nan 8.240 nan 0.000 0.536 645 Q N 1.086 120.661 119.800 -0.375 0.000 2.250 645 Q HA 0.146 4.492 4.340 0.009 0.000 0.200 645 Q C 1.101 176.861 176.000 -0.399 0.000 0.941 645 Q CA 0.473 56.093 55.803 -0.305 0.000 0.872 645 Q CB 0.089 28.725 28.738 -0.171 0.000 0.965 645 Q HN 0.930 nan 8.270 nan 0.000 0.480 646 c N -2.764 115.520 118.600 -0.526 0.000 3.216 646 c HA 0.579 5.155 4.570 0.009 0.000 0.346 646 c C -1.282 172.574 174.090 -0.390 0.000 1.384 646 c CA -1.407 54.678 56.329 -0.406 0.000 1.208 646 c CB 0.384 42.810 42.510 -0.140 0.000 1.483 646 c HN 0.154 nan 8.230 nan 0.000 0.453 647 L N 2.098 123.223 121.223 -0.164 0.000 2.289 647 L HA 0.710 5.056 4.340 0.009 0.000 0.285 647 L C 0.572 177.433 176.870 -0.015 0.000 1.049 647 L CA -0.080 54.728 54.840 -0.054 0.000 0.804 647 L CB 1.372 43.474 42.059 0.071 0.000 1.195 647 L HN 1.064 nan 8.230 nan 0.000 0.428 648 A N 4.017 126.831 122.820 -0.011 0.000 2.355 648 A HA 0.679 5.005 4.320 0.009 0.000 0.324 648 A C -0.429 177.178 177.584 0.039 0.000 1.117 648 A CA -0.779 51.261 52.037 0.004 0.000 0.785 648 A CB 1.062 20.050 19.000 -0.019 0.000 1.254 648 A HN 0.748 nan 8.150 nan 0.000 0.453 649 R N 0.390 120.914 120.500 0.040 0.000 2.590 649 R HA 0.260 4.606 4.340 0.009 0.000 0.274 649 R C 0.829 177.168 176.300 0.065 0.000 1.061 649 R CA 0.512 56.642 56.100 0.050 0.000 1.081 649 R CB 0.559 30.884 30.300 0.041 0.000 0.984 649 R HN 0.730 nan 8.270 nan 0.000 0.448 650 V N -0.709 119.249 119.914 0.073 0.000 3.502 650 V HA 0.360 4.485 4.120 0.009 0.000 0.288 650 V C 0.883 177.027 176.094 0.084 0.000 1.461 650 V CA 0.437 62.799 62.300 0.104 0.000 1.029 650 V CB -0.202 31.696 31.823 0.126 0.000 0.843 650 V HN 1.066 nan 8.190 nan 0.000 0.438 651 G N 1.724 110.560 108.800 0.060 0.000 2.598 651 G HA2 -0.197 3.768 3.960 0.009 0.000 0.244 651 G HA3 -0.197 3.768 3.960 0.009 0.000 0.244 651 G C -0.371 174.558 174.900 0.049 0.000 1.302 651 G CA 0.072 45.202 45.100 0.050 0.000 0.903 651 G HN 0.521 nan 8.290 nan 0.000 0.575 652 K N 1.150 121.576 120.400 0.044 0.000 2.266 652 K HA 0.584 4.910 4.320 0.009 0.000 0.274 652 K C 0.173 176.803 176.600 0.050 0.000 1.090 652 K CA 0.160 56.471 56.287 0.041 0.000 0.925 652 K CB 1.070 33.589 32.500 0.032 0.000 1.225 652 K HN 0.780 nan 8.250 nan 0.000 0.458 653 T N 0.508 115.098 114.554 0.061 0.000 2.696 653 T HA 0.544 4.899 4.350 0.009 0.000 0.291 653 T C -0.772 173.978 174.700 0.083 0.000 1.095 653 T CA -0.364 61.783 62.100 0.079 0.000 1.026 653 T CB 1.520 70.461 68.868 0.121 0.000 1.390 653 T HN 0.617 nan 8.240 nan 0.000 0.513 654 T N -0.665 113.947 114.554 0.096 0.000 2.888 654 T HA 0.428 4.784 4.350 0.009 0.000 0.288 654 T C 0.975 175.776 174.700 0.168 0.000 1.063 654 T CA -0.247 61.920 62.100 0.113 0.000 1.010 654 T CB 0.813 69.707 68.868 0.043 0.000 1.214 654 T HN 0.804 nan 8.240 nan 0.000 0.533 655 Y N -0.024 120.336 120.300 0.100 0.000 2.224 655 Y HA 0.086 4.640 4.550 0.007 0.000 0.289 655 Y C 2.064 178.090 175.900 0.210 0.000 1.146 655 Y CA 1.305 59.501 58.100 0.160 0.000 1.182 655 Y CB -0.709 37.816 38.460 0.107 0.000 0.983 655 Y HN 0.694 nan 8.280 nan 0.000 0.524 656 E N 0.960 120.839 120.200 -0.534 0.000 2.072 656 E HA -0.148 4.208 4.350 0.009 0.000 0.191 656 E C 2.333 178.885 176.600 -0.079 0.000 0.985 656 E CA 1.722 57.889 56.400 -0.388 0.000 0.801 656 E CB -0.148 29.285 29.700 -0.446 0.000 0.750 656 E HN 0.694 nan 8.360 nan 0.000 0.452 657 S N 0.254 115.940 115.700 -0.024 0.000 2.414 657 S HA -0.158 4.318 4.470 0.009 0.000 0.227 657 S C 1.937 176.580 174.600 0.071 0.000 1.022 657 S CA 0.549 58.763 58.200 0.024 0.000 0.958 657 S CB -0.498 62.719 63.200 0.029 0.000 0.797 657 S HN 0.334 nan 8.310 nan 0.000 0.493 658 Y N 2.625 122.947 120.300 0.038 0.000 2.145 658 Y HA -0.024 4.532 4.550 0.009 0.000 0.286 658 Y C 1.937 177.884 175.900 0.077 0.000 1.145 658 Y CA 1.398 59.538 58.100 0.067 0.000 1.148 658 Y CB -0.452 38.069 38.460 0.101 0.000 0.981 658 Y HN 0.168 nan 8.280 nan 0.000 0.507 659 L N -0.391 120.897 121.223 0.107 0.000 2.131 659 L HA 0.148 4.494 4.340 0.009 0.000 0.206 659 L C 1.079 177.953 176.870 0.007 0.000 1.087 659 L CA 0.647 55.526 54.840 0.065 0.000 0.767 659 L CB -0.927 41.359 42.059 0.378 0.000 0.917 659 L HN 0.470 nan 8.230 nan 0.000 0.441 660 G N -1.718 107.100 108.800 0.030 0.000 2.712 660 G HA2 -0.035 3.930 3.960 0.009 0.000 0.686 660 G HA3 -0.035 3.930 3.960 0.009 0.000 0.686 660 G C 0.411 175.347 174.900 0.061 0.000 1.181 660 G CA -0.376 44.734 45.100 0.016 0.000 0.762 660 G HN 0.160 nan 8.290 nan 0.000 0.641 661 A N 0.823 123.661 122.820 0.029 0.000 1.972 661 A HA 0.012 4.338 4.320 0.009 0.000 0.219 661 A C 2.242 179.846 177.584 0.032 0.000 1.169 661 A CA 2.497 54.550 52.037 0.026 0.000 0.635 661 A CB -0.450 18.556 19.000 0.009 0.000 0.810 661 A HN 1.348 nan 8.150 nan 0.000 0.446 662 D N -1.445 118.978 120.400 0.039 0.000 2.117 662 D HA -0.236 4.409 4.640 0.009 0.000 0.197 662 D C 1.798 178.138 176.300 0.067 0.000 0.987 662 D CA 1.658 55.683 54.000 0.041 0.000 0.829 662 D CB -0.797 40.026 40.800 0.038 0.000 0.961 662 D HN 0.516 nan 8.370 nan 0.000 0.460 663 Y N 1.189 121.473 120.300 -0.027 0.000 2.220 663 Y HA -0.036 4.520 4.550 0.009 0.000 0.291 663 Y C 2.352 178.236 175.900 -0.027 0.000 1.129 663 Y CA 0.785 58.868 58.100 -0.029 0.000 1.161 663 Y CB -0.160 38.288 38.460 -0.019 0.000 0.997 663 Y HN -0.179 nan 8.280 nan 0.000 0.522 664 I N -0.325 120.251 120.570 0.010 0.000 2.208 664 I HA -0.314 3.861 4.170 0.009 0.000 0.245 664 I C 2.173 178.226 176.117 -0.107 0.000 1.097 664 I CA 1.879 63.161 61.300 -0.030 0.000 1.363 664 I CB -1.711 36.343 38.000 0.090 0.000 1.051 664 I HN 0.231 nan 8.210 nan 0.000 0.413 665 T N 1.407 115.923 114.554 -0.064 0.000 2.684 665 T HA -0.155 4.201 4.350 0.009 0.000 0.267 665 T C 2.065 176.699 174.700 -0.110 0.000 1.036 665 T CA 1.735 63.800 62.100 -0.059 0.000 1.148 665 T CB -0.340 68.514 68.868 -0.024 0.000 0.863 665 T HN 0.474 nan 8.240 nan 0.000 0.436 666 A N 0.753 123.476 122.820 -0.161 0.000 1.908 666 A HA -0.069 4.257 4.320 0.009 0.000 0.218 666 A C 2.572 179.987 177.584 -0.283 0.000 1.181 666 A CA 1.517 53.439 52.037 -0.192 0.000 0.627 666 A CB -0.923 17.959 19.000 -0.197 0.000 0.818 666 A HN 0.380 nan 8.150 nan 0.000 0.445 667 V N -0.543 119.083 119.914 -0.481 0.000 2.488 667 V HA -0.120 4.006 4.120 0.009 0.000 0.246 667 V C 2.966 178.839 176.094 -0.368 0.000 1.046 667 V CA 1.613 63.579 62.300 -0.558 0.000 1.053 667 V CB -0.997 30.214 31.823 -1.021 0.000 0.679 667 V HN 0.591 nan 8.190 nan 0.000 0.458 668 A N 0.533 123.197 122.820 -0.260 0.000 2.015 668 A HA -0.230 4.095 4.320 0.009 0.000 0.219 668 A C 2.008 179.563 177.584 -0.049 0.000 1.163 668 A CA 1.910 53.902 52.037 -0.076 0.000 0.646 668 A CB -0.810 18.201 19.000 0.019 0.000 0.806 668 A HN 0.599 nan 8.150 nan 0.000 0.448 669 N N -0.085 118.575 118.700 -0.066 0.000 2.289 669 N HA -0.061 4.684 4.740 0.009 0.000 0.184 669 N C 1.170 176.645 175.510 -0.059 0.000 1.016 669 N CA 1.143 54.189 53.050 -0.005 0.000 0.872 669 N CB -0.323 38.178 38.487 0.023 0.000 0.973 669 N HN 0.468 nan 8.380 nan 0.000 0.433 670 L N -0.282 120.857 121.223 -0.140 0.000 2.611 670 L HA 0.202 4.547 4.340 0.009 0.000 0.229 670 L C 1.912 178.700 176.870 -0.136 0.000 1.137 670 L CA -0.150 54.554 54.840 -0.227 0.000 0.901 670 L CB -0.057 41.912 42.059 -0.150 0.000 1.098 670 L HN 0.121 nan 8.230 nan 0.000 0.456 671 R N 0.994 121.455 120.500 -0.064 0.000 2.105 671 R HA -0.200 4.145 4.340 0.009 0.000 0.239 671 R C 1.987 178.285 176.300 -0.003 0.000 1.135 671 R CA 1.640 57.742 56.100 0.003 0.000 0.967 671 R CB -0.086 30.241 30.300 0.045 0.000 0.861 671 R HN 0.181 nan 8.270 nan 0.000 0.442 672 K N -0.895 119.484 120.400 -0.036 0.000 2.147 672 K HA -0.106 4.220 4.320 0.009 0.000 0.205 672 K C 1.582 178.160 176.600 -0.037 0.000 1.049 672 K CA 1.418 57.693 56.287 -0.020 0.000 0.936 672 K CB -0.027 32.478 32.500 0.009 0.000 0.722 672 K HN 0.295 nan 8.250 nan 0.000 0.446 673 c N 0.835 119.382 118.600 -0.089 0.000 2.626 673 c HA 0.123 4.699 4.570 0.009 0.000 0.266 673 c C 1.227 175.364 174.090 0.079 0.000 1.317 673 c CA -0.759 55.555 56.329 -0.026 0.000 1.716 673 c CB -0.856 41.630 42.510 -0.039 0.000 1.819 673 c HN 0.267 nan 8.230 nan 0.000 0.578 674 S N 1.702 117.442 115.700 0.067 0.000 2.549 674 S HA 0.171 4.647 4.470 0.009 0.000 0.283 674 S C 1.188 175.830 174.600 0.070 0.000 1.320 674 S CA 0.500 58.757 58.200 0.094 0.000 1.058 674 S CB 0.494 63.746 63.200 0.087 0.000 0.882 674 S HN 0.662 nan 8.310 nan 0.000 0.498 675 T N 0.857 115.445 114.554 0.058 0.000 3.132 675 T HA 0.258 4.614 4.350 0.009 0.000 0.274 675 T C 0.499 175.207 174.700 0.014 0.000 1.011 675 T CA -0.221 61.895 62.100 0.028 0.000 0.899 675 T CB 0.023 68.899 68.868 0.014 0.000 1.089 675 T HN 0.474 nan 8.240 nan 0.000 0.543 676 S N 1.524 117.241 115.700 0.028 0.000 2.488 676 S HA 0.232 4.708 4.470 0.009 0.000 0.278 676 S C 1.285 175.897 174.600 0.019 0.000 1.259 676 S CA -0.657 57.559 58.200 0.026 0.000 1.061 676 S CB 0.460 63.694 63.200 0.058 0.000 0.910 676 S HN 0.172 nan 8.310 nan 0.000 0.491 677 K N 3.954 124.354 120.400 0.001 0.000 2.155 677 K HA 0.012 4.337 4.320 0.009 0.000 0.203 677 K C 1.704 178.299 176.600 -0.008 0.000 1.052 677 K CA 0.657 56.939 56.287 -0.008 0.000 0.948 677 K CB -0.672 31.815 32.500 -0.021 0.000 0.728 677 K HN 0.604 nan 8.250 nan 0.000 0.448 678 L N 1.006 122.225 121.223 -0.007 0.000 2.056 678 L HA -0.072 4.274 4.340 0.009 0.000 0.207 678 L C 2.078 178.952 176.870 0.006 0.000 1.078 678 L CA 1.211 56.045 54.840 -0.009 0.000 0.749 678 L CB -0.719 41.326 42.059 -0.022 0.000 0.901 678 L HN 0.062 nan 8.230 nan 0.000 0.433 679 L N -0.322 120.916 121.223 0.026 0.000 2.046 679 L HA -0.210 4.136 4.340 0.009 0.000 0.208 679 L C 2.482 179.378 176.870 0.043 0.000 1.077 679 L CA 1.965 56.830 54.840 0.040 0.000 0.747 679 L CB -0.727 41.382 42.059 0.083 0.000 0.896 679 L HN 0.499 nan 8.230 nan 0.000 0.432 680 E N -0.593 119.631 120.200 0.040 0.000 2.051 680 E HA -0.255 4.101 4.350 0.009 0.000 0.192 680 E C 2.068 178.700 176.600 0.053 0.000 0.991 680 E CA 1.209 57.637 56.400 0.047 0.000 0.799 680 E CB -0.169 29.547 29.700 0.026 0.000 0.748 680 E HN 0.622 nan 8.360 nan 0.000 0.449 681 A N 0.326 123.158 122.820 0.020 0.000 1.902 681 A HA -0.170 4.156 4.320 0.009 0.000 0.217 681 A C 2.345 179.965 177.584 0.061 0.000 1.181 681 A CA 1.356 53.401 52.037 0.014 0.000 0.623 681 A CB -0.664 18.328 19.000 -0.014 0.000 0.818 681 A HN 0.507 nan 8.150 nan 0.000 0.443 682 c N -0.255 118.372 118.600 0.045 0.000 2.522 682 c HA 0.078 4.654 4.570 0.009 0.000 0.271 682 c C 2.236 176.365 174.090 0.065 0.000 1.425 682 c CA 1.194 57.551 56.329 0.047 0.000 1.751 682 c CB -1.361 41.145 42.510 -0.007 0.000 1.775 682 c HN 0.759 nan 8.230 nan 0.000 0.557 683 T N -3.348 111.254 114.554 0.080 0.000 3.129 683 T HA 0.134 4.490 4.350 0.009 0.000 0.267 683 T C 1.014 175.773 174.700 0.099 0.000 1.018 683 T CA -0.206 61.940 62.100 0.077 0.000 0.903 683 T CB -0.469 68.432 68.868 0.055 0.000 1.067 683 T HN 0.361 nan 8.240 nan 0.000 0.549 684 F N 2.602 122.530 119.950 -0.037 0.000 2.084 684 F HA 0.093 4.625 4.527 0.008 0.000 0.296 684 F C 1.177 176.933 175.800 -0.073 0.000 1.111 684 F CA 0.725 58.672 58.000 -0.088 0.000 1.224 684 F CB -0.298 38.600 39.000 -0.170 0.000 0.991 684 F HN 0.202 nan 8.300 nan 0.000 0.471 685 H N 1.182 120.282 119.070 0.051 0.000 2.815 685 H HA 0.161 4.724 4.556 0.012 0.000 0.350 685 H C 0.669 175.968 175.328 -0.048 0.000 1.080 685 H CA 0.219 56.240 56.048 -0.045 0.000 1.433 685 H CB 0.699 30.556 29.762 0.158 0.000 1.432 685 H HN 0.205 nan 8.280 nan 0.000 0.592 686 S N 1.743 117.515 115.700 0.120 0.000 2.614 686 S HA 0.481 4.956 4.470 0.009 0.000 0.265 686 S C 0.562 175.192 174.600 0.050 0.000 1.303 686 S CA -0.393 57.841 58.200 0.057 0.000 1.000 686 S CB 1.109 64.332 63.200 0.039 0.000 0.935 686 S HN 0.992 nan 8.310 nan 0.000 0.551 687 A N 0.000 122.804 122.820 -0.026 0.000 2.254 687 A HA 0.000 4.326 4.320 0.009 0.000 0.244 687 A CA 0.000 51.977 52.037 -0.101 0.000 0.836 687 A CB 0.000 18.907 19.000 -0.154 0.000 0.831 687 A HN 0.000 nan 8.150 nan 0.000 0.486