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 3i5g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTMDFSDPDM EFLCLTRQKL MEATSIPFDG KKNCWVPDPD FGFVGAEIQS DATA SEQUENCE TKGDEVTVKT DKTQETRVVK KDDIGQRNPP KFEMNMDMAN LTFLNEASIL DATA SEQUENCE HNLRSRYESG FIYTYSGLFC IAINPYRRLP IYTQGLVDKY RGKRRAEMPP DATA SEQUENCE HLFSIADNAY QYMLQDRENQ SMLITGESGA GKTENTKKVI QYFALVAASL DATA SEQUENCE AGXXXXXXXX XXXXXXKGTL EDQIVQCNPV LEAYGNAKTT RNNNSSRFGK DATA SEQUENCE FIRIHFGTQG KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQLLSPAFPE DATA SEQUENCE NIEKILAVPD PGLYGFINQG TLTVDGIDDE EEMGLTDTAF DVLGFTDEEK DATA SEQUENCE LSMYKCTGCI LHLGEMKWKQ RGEQAEADGT AEAEKVAFLL GVNAGDLLKC DATA SEQUENCE LLKPKIKVGT EYVTQGRNKD QVTNSIAALA KSLYDRMFNW LVRRVNQTLD DATA SEQUENCE TKAKRQFFIG VLDIAGFEIF DFNSFEQLCI NYTNERLQQF FNHHMFVLEQ DATA SEQUENCE EEYKKEGIVW EFIDFGLDLQ ACIELIEKPM GILSILEEEC MFPKASDTSF DATA SEQUENCE KNKLYDNHLG KNPMFGKPKP PKAGCAEAHF CLHHYAGSVS YSIAGWLDKN DATA SEQUENCE KDPINENVVE LLQNSKEPIV KMLFTXXXXX XXXXXXXXXX XXAFQTISSV DATA SEQUENCE HKESLNKLMK NLYSTHPHFV RCIIPNELKT PGLIDAALVL HQLRCNGVLE DATA SEQUENCE GIRICRKGFP NRIIYSEFKQ RYSILAPNAV PSGFADGKVV TDKALSALQL DATA SEQUENCE DPNEYRLGNT KVFFKAGVLG MLEDMRDERL SKIISMFQAH IRGYLMRKAY DATA SEQUENCE KKLQDQRIGL TLIQRNVRKW LVLRNWEWWR LFNKVKPLL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.191 55.300 -0.182 0.000 0.988 1 M CB 0.000 32.261 32.600 -0.566 0.000 1.302 2 T N -1.129 113.527 114.554 0.169 0.000 2.894 2 T HA 0.786 5.138 4.350 0.002 0.000 0.309 2 T C 0.189 175.034 174.700 0.241 0.000 1.208 2 T CA -0.566 61.676 62.100 0.237 0.000 1.016 2 T CB 1.746 70.670 68.868 0.095 0.000 1.192 2 T HN 0.859 nan 8.240 nan 0.000 0.491 3 M N 0.212 119.896 119.600 0.141 0.000 7.319 3 M HA -0.151 4.330 4.480 0.002 0.000 0.277 3 M C -0.125 176.117 176.300 -0.097 0.000 0.480 3 M CA 1.832 57.139 55.300 0.012 0.000 1.311 3 M CB -2.258 30.343 32.600 0.001 0.000 0.421 3 M HN 0.993 nan 8.290 nan 0.000 0.396 4 D N 0.873 121.245 120.400 -0.047 0.000 2.462 4 D HA 0.487 5.128 4.640 0.002 0.000 0.245 4 D C 0.691 177.025 176.300 0.056 0.000 1.122 4 D CA -0.207 53.693 54.000 -0.166 0.000 0.864 4 D CB 0.275 41.009 40.800 -0.109 0.000 1.098 4 D HN 0.404 nan 8.370 nan 0.000 0.541 5 F N 1.236 121.193 119.950 0.012 0.000 2.287 5 F HA -0.160 4.368 4.527 0.002 0.000 0.301 5 F C 2.082 177.897 175.800 0.025 0.000 1.069 5 F CA 0.154 58.164 58.000 0.017 0.000 1.372 5 F CB 0.069 39.071 39.000 0.003 0.000 1.056 5 F HN 0.218 nan 8.300 nan 0.000 0.523 6 S N -1.904 113.879 115.700 0.138 0.000 2.511 6 S HA -0.056 4.415 4.470 0.002 0.000 0.214 6 S C 0.470 175.108 174.600 0.064 0.000 0.997 6 S CA -0.366 57.885 58.200 0.085 0.000 0.908 6 S CB -0.173 63.051 63.200 0.039 0.000 0.803 6 S HN 0.234 nan 8.310 nan 0.000 0.504 7 D N 2.667 123.103 120.400 0.060 0.000 2.487 7 D HA 0.032 4.673 4.640 0.002 0.000 0.243 7 D C -1.770 174.582 176.300 0.086 0.000 1.154 7 D CA -1.328 52.708 54.000 0.059 0.000 0.876 7 D CB 1.179 42.011 40.800 0.055 0.000 1.161 7 D HN -0.025 nan 8.370 nan 0.000 0.478 8 P HA -0.192 nan 4.420 nan 0.000 0.217 8 P C 0.817 178.194 177.300 0.127 0.000 1.158 8 P CA 1.164 64.319 63.100 0.092 0.000 0.887 8 P CB 0.233 31.980 31.700 0.079 0.000 0.792 9 D N -1.285 119.197 120.400 0.138 0.000 2.149 9 D HA -0.128 4.514 4.640 0.002 0.000 0.198 9 D C 1.460 177.888 176.300 0.214 0.000 0.990 9 D CA 1.137 55.243 54.000 0.177 0.000 0.839 9 D CB -0.431 40.475 40.800 0.177 0.000 0.948 9 D HN 0.167 nan 8.370 nan 0.000 0.460 10 M N 0.878 120.596 119.600 0.196 0.000 2.788 10 M HA -0.030 4.451 4.480 0.002 0.000 0.224 10 M C 1.621 178.046 176.300 0.207 0.000 1.078 10 M CA 0.383 55.816 55.300 0.222 0.000 1.046 10 M CB -0.720 32.003 32.600 0.204 0.000 1.690 10 M HN 0.106 nan 8.290 nan 0.000 0.532 11 E N 0.224 120.521 120.200 0.162 0.000 2.204 11 E HA -0.136 4.215 4.350 0.002 0.000 0.194 11 E C 0.493 176.907 176.600 -0.310 0.000 0.989 11 E CA 1.016 57.403 56.400 -0.023 0.000 0.824 11 E CB 0.250 29.920 29.700 -0.050 0.000 0.756 11 E HN 0.449 nan 8.360 nan 0.000 0.477 12 F N -0.638 119.313 119.950 0.002 0.000 2.683 12 F HA 0.264 4.793 4.527 0.003 0.000 0.306 12 F C 1.042 176.942 175.800 0.167 0.000 1.102 12 F CA -0.131 57.753 58.000 -0.194 0.000 1.244 12 F CB 0.748 39.639 39.000 -0.181 0.000 1.029 12 F HN -0.040 nan 8.300 nan 0.000 0.545 13 L N -3.188 118.371 121.223 0.560 0.000 2.806 13 L HA 0.115 4.457 4.340 0.002 0.000 0.242 13 L C 1.588 178.658 176.870 0.334 0.000 1.068 13 L CA 0.284 55.429 54.840 0.509 0.000 0.923 13 L CB -0.174 42.091 42.059 0.343 0.000 1.364 13 L HN 0.120 nan 8.230 nan 0.000 0.511 14 C N -0.350 119.152 119.300 0.337 0.000 3.096 14 C HA 0.462 4.923 4.460 0.002 0.000 0.284 14 C C 0.479 175.376 174.990 -0.155 0.000 1.379 14 C CA 0.132 59.183 59.018 0.055 0.000 1.686 14 C CB 0.624 28.445 27.740 0.135 0.000 2.129 14 C HN 0.450 nan 8.230 nan 0.000 0.586 15 L N 0.427 121.706 121.223 0.093 0.000 0.876 15 L HA 0.008 4.350 4.340 0.002 0.000 0.370 15 L C -0.077 176.803 176.870 0.017 0.000 1.004 15 L CA 0.703 55.585 54.840 0.070 0.000 1.201 15 L CB -1.305 40.655 42.059 -0.164 0.000 0.641 15 L HN 0.658 nan 8.230 nan 0.000 0.377 16 T N 2.004 116.593 114.554 0.058 0.000 2.913 16 T HA 0.386 4.737 4.350 0.002 0.000 0.297 16 T C 1.274 176.004 174.700 0.050 0.000 1.029 16 T CA 0.227 62.381 62.100 0.090 0.000 1.104 16 T CB 1.413 70.335 68.868 0.089 0.000 0.964 16 T HN 0.880 nan 8.240 nan 0.000 0.532 17 R N 1.049 121.644 120.500 0.157 0.000 2.159 17 R HA -0.260 4.081 4.340 0.002 0.000 0.249 17 R C 2.472 178.799 176.300 0.045 0.000 1.136 17 R CA 2.451 58.633 56.100 0.136 0.000 0.951 17 R CB -0.419 30.103 30.300 0.370 0.000 0.876 17 R HN 0.874 nan 8.270 nan 0.000 0.440 18 Q N -0.165 119.669 119.800 0.056 0.000 2.050 18 Q HA -0.192 4.150 4.340 0.002 0.000 0.202 18 Q C 2.156 178.160 176.000 0.007 0.000 0.980 18 Q CA 1.839 57.657 55.803 0.026 0.000 0.840 18 Q CB -0.033 28.722 28.738 0.028 0.000 0.898 18 Q HN 0.257 nan 8.270 nan 0.000 0.424 19 K N 0.222 120.628 120.400 0.011 0.000 2.147 19 K HA -0.184 4.137 4.320 0.002 0.000 0.205 19 K C 1.992 178.582 176.600 -0.017 0.000 1.049 19 K CA 0.880 57.170 56.287 0.004 0.000 0.936 19 K CB -0.027 32.484 32.500 0.018 0.000 0.722 19 K HN 0.123 nan 8.250 nan 0.000 0.446 20 L N 0.626 121.821 121.223 -0.047 0.000 2.095 20 L HA -0.038 4.304 4.340 0.002 0.000 0.204 20 L C 2.287 179.112 176.870 -0.074 0.000 1.080 20 L CA 1.285 56.074 54.840 -0.086 0.000 0.759 20 L CB -0.410 41.552 42.059 -0.161 0.000 0.914 20 L HN 0.170 nan 8.230 nan 0.000 0.439 21 M N -0.007 119.556 119.600 -0.060 0.000 2.082 21 M HA -0.275 4.206 4.480 0.002 0.000 0.258 21 M C 2.164 178.439 176.300 -0.041 0.000 1.069 21 M CA 2.263 57.533 55.300 -0.051 0.000 1.102 21 M CB -0.481 32.102 32.600 -0.028 0.000 1.336 21 M HN 0.462 nan 8.290 nan 0.000 0.404 22 E N -0.649 119.535 120.200 -0.026 0.000 2.017 22 E HA -0.192 4.160 4.350 0.002 0.000 0.193 22 E C 1.922 178.513 176.600 -0.014 0.000 0.997 22 E CA 1.416 57.807 56.400 -0.015 0.000 0.804 22 E CB -0.335 29.363 29.700 -0.004 0.000 0.757 22 E HN 0.629 nan 8.360 nan 0.000 0.448 23 A N -0.057 122.754 122.820 -0.015 0.000 1.978 23 A HA -0.166 4.155 4.320 0.002 0.000 0.220 23 A C 2.254 179.826 177.584 -0.020 0.000 1.170 23 A CA 2.010 54.043 52.037 -0.006 0.000 0.636 23 A CB -0.686 18.309 19.000 -0.008 0.000 0.810 23 A HN 0.316 nan 8.150 nan 0.000 0.448 24 T N -0.184 114.340 114.554 -0.051 0.000 3.129 24 T HA 0.072 4.423 4.350 0.002 0.000 0.251 24 T C 1.481 176.134 174.700 -0.079 0.000 1.117 24 T CA 1.044 63.096 62.100 -0.081 0.000 1.034 24 T CB -0.152 68.647 68.868 -0.115 0.000 0.968 24 T HN 0.697 nan 8.240 nan 0.000 0.526 25 S N 0.903 116.575 115.700 -0.047 0.000 2.629 25 S HA 0.282 4.753 4.470 0.002 0.000 0.236 25 S C 0.715 175.312 174.600 -0.005 0.000 1.010 25 S CA -0.815 57.365 58.200 -0.035 0.000 0.981 25 S CB -0.733 62.448 63.200 -0.032 0.000 0.919 25 S HN 0.637 nan 8.310 nan 0.000 0.514 26 I N -0.139 120.436 120.570 0.009 0.000 2.948 26 I HA 0.322 4.493 4.170 0.002 0.000 0.290 26 I C -2.571 173.588 176.117 0.069 0.000 1.226 26 I CA -1.661 59.662 61.300 0.038 0.000 1.413 26 I CB -0.716 37.316 38.000 0.054 0.000 1.352 26 I HN -0.122 nan 8.210 nan 0.000 0.597 27 P HA 0.182 nan 4.420 nan 0.000 0.266 27 P C -1.075 176.340 177.300 0.192 0.000 1.193 27 P CA 0.452 63.606 63.100 0.090 0.000 0.770 27 P CB 0.224 31.950 31.700 0.044 0.000 0.836 28 F N 1.176 121.106 119.950 -0.033 0.000 2.708 28 F HA 0.325 4.853 4.527 0.003 0.000 0.309 28 F C -1.772 174.007 175.800 -0.035 0.000 1.120 28 F CA -0.658 57.317 58.000 -0.042 0.000 0.978 28 F CB 1.889 40.866 39.000 -0.039 0.000 1.283 28 F HN 0.189 nan 8.300 nan 0.000 0.439 29 D N 2.806 122.780 120.400 -0.710 0.000 2.330 29 D HA 0.318 4.960 4.640 0.002 0.000 0.249 29 D C 0.892 176.874 176.300 -0.529 0.000 1.306 29 D CA 0.269 54.037 54.000 -0.386 0.000 0.956 29 D CB 1.115 41.767 40.800 -0.246 0.000 1.261 29 D HN 0.752 nan 8.370 nan 0.000 0.544 30 G N 2.557 111.251 108.800 -0.176 0.000 2.568 30 G HA2 -0.290 3.671 3.960 0.002 0.000 0.220 30 G HA3 -0.290 3.671 3.960 0.002 0.000 0.220 30 G C 1.187 176.049 174.900 -0.063 0.000 1.104 30 G CA 0.585 45.702 45.100 0.029 0.000 0.738 30 G HN 0.455 nan 8.290 nan 0.000 0.574 31 K N -0.529 119.812 120.400 -0.098 0.000 2.418 31 K HA 0.115 4.436 4.320 0.002 0.000 0.195 31 K C 1.700 178.230 176.600 -0.117 0.000 1.035 31 K CA 0.500 56.741 56.287 -0.077 0.000 1.003 31 K CB 0.185 32.655 32.500 -0.050 0.000 0.793 31 K HN 0.171 nan 8.250 nan 0.000 0.494 32 K N -0.150 120.135 120.400 -0.191 0.000 2.665 32 K HA 0.095 4.417 4.320 0.002 0.000 0.197 32 K C -0.050 176.398 176.600 -0.252 0.000 1.463 32 K CA -0.034 56.141 56.287 -0.186 0.000 1.107 32 K CB 0.090 32.496 32.500 -0.156 0.000 1.584 32 K HN -0.005 nan 8.250 nan 0.000 0.558 33 N N 1.780 120.234 118.700 -0.410 0.000 2.345 33 N HA 0.006 4.747 4.740 0.002 0.000 0.243 33 N C 0.239 175.516 175.510 -0.389 0.000 1.246 33 N CA 0.419 53.182 53.050 -0.478 0.000 0.863 33 N CB 0.301 38.247 38.487 -0.900 0.000 1.096 33 N HN 0.395 nan 8.380 nan 0.000 0.446 34 C N -1.349 117.742 119.300 -0.348 0.000 3.211 34 C HA 0.541 5.002 4.460 0.002 0.000 0.350 34 C C -1.719 173.134 174.990 -0.229 0.000 1.413 34 C CA -1.599 57.222 59.018 -0.329 0.000 1.203 34 C CB 0.065 27.703 27.740 -0.170 0.000 1.506 34 C HN 0.797 nan 8.230 nan 0.000 0.448 35 W N 0.395 121.675 121.300 -0.034 0.000 2.496 35 W HA 0.687 5.348 4.660 0.003 0.000 0.327 35 W C -0.145 176.420 176.519 0.076 0.000 1.086 35 W CA -0.684 56.668 57.345 0.011 0.000 1.222 35 W CB 1.736 31.159 29.460 -0.062 0.000 1.304 35 W HN 0.676 nan 8.180 nan 0.000 0.547 36 V N 5.455 125.652 119.914 0.471 0.000 2.888 36 V HA 0.440 4.561 4.120 0.002 0.000 0.309 36 V C -2.199 174.110 176.094 0.359 0.000 1.114 36 V CA -2.739 59.764 62.300 0.338 0.000 0.940 36 V CB 2.652 34.594 31.823 0.199 0.000 1.021 36 V HN 0.263 nan 8.190 nan 0.000 0.426 37 P HA 0.160 nan 4.420 nan 0.000 0.267 37 P C -1.327 175.939 177.300 -0.056 0.000 1.209 37 P CA 0.302 63.354 63.100 -0.079 0.000 0.763 37 P CB 0.594 32.246 31.700 -0.079 0.000 0.816 38 D N 4.551 124.879 120.400 -0.121 0.000 2.471 38 D HA 0.230 4.872 4.640 0.002 0.000 0.245 38 D C -1.776 174.494 176.300 -0.050 0.000 1.116 38 D CA -2.364 51.651 54.000 0.025 0.000 0.853 38 D CB 1.632 42.572 40.800 0.235 0.000 1.123 38 D HN -0.008 nan 8.370 nan 0.000 0.540 39 P HA -0.117 nan 4.420 nan 0.000 0.219 39 P C 0.039 177.250 177.300 -0.149 0.000 1.144 39 P CA 1.162 64.203 63.100 -0.098 0.000 0.806 39 P CB 0.615 32.273 31.700 -0.070 0.000 0.771 40 D N -1.882 118.394 120.400 -0.208 0.000 2.628 40 D HA 0.060 4.701 4.640 0.002 0.000 0.258 40 D C 0.641 176.692 176.300 -0.414 0.000 1.165 40 D CA 0.709 54.428 54.000 -0.470 0.000 0.991 40 D CB -0.624 39.581 40.800 -0.991 0.000 1.104 40 D HN 0.109 nan 8.370 nan 0.000 0.438 41 F N 0.428 120.364 119.950 -0.022 0.000 2.843 41 F HA 0.454 4.982 4.527 0.002 0.000 0.290 41 F C 1.813 177.595 175.800 -0.030 0.000 1.221 41 F CA -0.082 57.915 58.000 -0.005 0.000 1.413 41 F CB -0.304 38.717 39.000 0.034 0.000 1.019 41 F HN 0.125 nan 8.300 nan 0.000 0.512 42 G N 0.715 109.530 108.800 0.025 0.000 4.861 42 G HA2 -0.346 3.615 3.960 0.002 0.000 0.226 42 G HA3 -0.346 3.615 3.960 0.002 0.000 0.226 42 G C 0.035 174.681 174.900 -0.424 0.000 1.350 42 G CA 0.735 45.743 45.100 -0.154 0.000 1.018 42 G HN 0.350 nan 8.290 nan 0.000 0.712 43 F N -0.712 119.271 119.950 0.056 0.000 2.601 43 F HA 0.705 5.234 4.527 0.002 0.000 0.309 43 F C -0.097 175.734 175.800 0.052 0.000 1.089 43 F CA -0.871 57.138 58.000 0.015 0.000 0.940 43 F CB 2.654 41.566 39.000 -0.146 0.000 1.273 43 F HN 0.237 nan 8.300 nan 0.000 0.450 44 V N 1.021 121.135 119.914 0.333 0.000 2.925 44 V HA 0.721 4.843 4.120 0.002 0.000 0.311 44 V C -0.078 176.295 176.094 0.465 0.000 1.104 44 V CA -1.026 61.450 62.300 0.293 0.000 0.954 44 V CB 2.155 34.063 31.823 0.143 0.000 1.022 44 V HN 0.913 nan 8.190 nan 0.000 0.427 45 G N 1.333 110.429 108.800 0.492 0.000 2.467 45 G HA2 0.704 4.666 3.960 0.002 0.000 0.257 45 G HA3 0.704 4.666 3.960 0.002 0.000 0.257 45 G C -0.253 174.710 174.900 0.105 0.000 1.227 45 G CA 0.607 45.891 45.100 0.306 0.000 0.835 45 G HN 1.357 nan 8.290 nan 0.000 0.556 46 A N 1.749 124.573 122.820 0.007 0.000 2.515 46 A HA 0.837 5.158 4.320 0.002 0.000 0.299 46 A C -0.912 176.619 177.584 -0.089 0.000 1.179 46 A CA -0.743 51.284 52.037 -0.018 0.000 0.656 46 A CB 1.219 20.237 19.000 0.030 0.000 1.306 46 A HN 0.600 nan 8.150 nan 0.000 0.459 47 E N -0.007 120.149 120.200 -0.074 0.000 2.266 47 E HA 0.545 4.896 4.350 0.002 0.000 0.268 47 E C -1.173 175.386 176.600 -0.069 0.000 0.879 47 E CA -0.562 55.777 56.400 -0.102 0.000 0.762 47 E CB 2.216 31.855 29.700 -0.102 0.000 1.199 47 E HN 0.518 nan 8.360 nan 0.000 0.422 48 I N 3.033 123.557 120.570 -0.078 0.000 2.519 48 I HA -0.016 4.156 4.170 0.002 0.000 0.287 48 I C 1.060 177.150 176.117 -0.045 0.000 1.047 48 I CA -0.069 61.199 61.300 -0.053 0.000 1.381 48 I CB 0.824 38.789 38.000 -0.057 0.000 1.417 48 I HN 0.490 nan 8.210 nan 0.000 0.540 49 Q N 3.320 123.103 119.800 -0.030 0.000 2.525 49 Q HA 0.168 4.509 4.340 0.002 0.000 0.203 49 Q C 0.524 176.511 176.000 -0.020 0.000 0.947 49 Q CA 0.691 56.479 55.803 -0.024 0.000 0.881 49 Q CB 0.270 28.998 28.738 -0.016 0.000 1.049 49 Q HN 0.827 nan 8.270 nan 0.000 0.600 50 S N -0.967 114.724 115.700 -0.015 0.000 2.806 50 S HA 0.802 5.273 4.470 0.002 0.000 0.306 50 S C -0.519 174.074 174.600 -0.010 0.000 1.167 50 S CA -0.575 57.617 58.200 -0.012 0.000 0.847 50 S CB 2.332 65.527 63.200 -0.008 0.000 1.216 50 S HN 0.018 nan 8.310 nan 0.000 0.532 51 T N 0.635 115.185 114.554 -0.008 0.000 2.889 51 T HA 0.750 5.101 4.350 0.002 0.000 0.315 51 T C -1.649 173.049 174.700 -0.003 0.000 1.291 51 T CA -0.786 61.311 62.100 -0.006 0.000 1.028 51 T CB 1.787 70.650 68.868 -0.008 0.000 1.235 51 T HN 0.870 nan 8.240 nan 0.000 0.491 52 K N 1.034 121.433 120.400 -0.001 0.000 2.584 52 K HA 0.494 4.815 4.320 0.002 0.000 0.260 52 K C 0.482 177.083 176.600 0.002 0.000 0.949 52 K CA 0.201 56.488 56.287 0.000 0.000 0.888 52 K CB 0.961 33.461 32.500 0.001 0.000 1.330 52 K HN 1.002 nan 8.250 nan 0.000 0.432 53 G N 3.088 111.890 108.800 0.002 0.000 2.582 53 G HA2 -0.292 3.670 3.960 0.002 0.000 0.300 53 G HA3 -0.292 3.670 3.960 0.002 0.000 0.300 53 G C -0.406 174.496 174.900 0.004 0.000 1.300 53 G CA 0.508 45.610 45.100 0.003 0.000 0.959 53 G HN 0.734 nan 8.290 nan 0.000 0.548 54 D N 2.004 122.407 120.400 0.005 0.000 3.168 54 D HA 0.325 4.966 4.640 0.002 0.000 0.255 54 D C 0.420 176.725 176.300 0.008 0.000 1.314 54 D CA 0.454 54.459 54.000 0.007 0.000 0.900 54 D CB 0.310 41.115 40.800 0.008 0.000 1.072 54 D HN 0.487 nan 8.370 nan 0.000 0.487 55 E N 0.932 121.136 120.200 0.007 0.000 2.768 55 E HA 0.168 4.519 4.350 0.002 0.000 0.290 55 E C -0.986 175.617 176.600 0.006 0.000 1.100 55 E CA -0.320 56.084 56.400 0.007 0.000 0.768 55 E CB 1.165 30.869 29.700 0.006 0.000 1.501 55 E HN -0.140 nan 8.360 nan 0.000 0.384 56 V N 2.073 121.991 119.914 0.007 0.000 2.881 56 V HA 0.266 4.387 4.120 0.002 0.000 0.303 56 V C 0.432 176.529 176.094 0.005 0.000 1.070 56 V CA 0.125 62.427 62.300 0.003 0.000 1.074 56 V CB 1.771 33.595 31.823 0.002 0.000 1.012 56 V HN 0.564 nan 8.190 nan 0.000 0.482 57 T N 3.543 118.097 114.554 0.001 0.000 2.797 57 T HA 0.669 5.020 4.350 0.002 0.000 0.279 57 T C -0.513 174.186 174.700 -0.002 0.000 0.991 57 T CA -0.230 61.871 62.100 0.001 0.000 0.979 57 T CB 1.465 70.332 68.868 -0.001 0.000 0.943 57 T HN 0.396 nan 8.240 nan 0.000 0.444 58 V N 2.587 122.503 119.914 0.003 0.000 3.160 58 V HA 0.678 4.799 4.120 0.002 0.000 0.310 58 V C -0.679 175.417 176.094 0.003 0.000 1.181 58 V CA -1.069 61.231 62.300 0.000 0.000 1.047 58 V CB 2.603 34.431 31.823 0.009 0.000 1.068 58 V HN 0.745 nan 8.190 nan 0.000 0.441 59 K N 1.253 121.651 120.400 -0.003 0.000 2.471 59 K HA 0.606 4.927 4.320 0.002 0.000 0.252 59 K C -0.474 176.127 176.600 0.002 0.000 0.938 59 K CA -0.327 55.960 56.287 -0.000 0.000 0.796 59 K CB 1.954 34.448 32.500 -0.011 0.000 1.161 59 K HN 0.962 nan 8.250 nan 0.000 0.425 60 T N 0.323 114.886 114.554 0.016 0.000 2.874 60 T HA 0.228 4.580 4.350 0.002 0.000 0.281 60 T C 0.435 175.140 174.700 0.009 0.000 0.994 60 T CA -0.467 61.647 62.100 0.023 0.000 1.015 60 T CB 1.053 69.947 68.868 0.043 0.000 1.028 60 T HN 0.505 nan 8.240 nan 0.000 0.523 61 D N 0.802 121.207 120.400 0.008 0.000 2.267 61 D HA 0.062 4.704 4.640 0.002 0.000 0.258 61 D C 1.750 178.048 176.300 -0.003 0.000 1.207 61 D CA 0.243 54.243 54.000 -0.000 0.000 0.954 61 D CB -0.531 40.271 40.800 0.003 0.000 0.975 61 D HN 0.633 nan 8.370 nan 0.000 0.371 62 K N -0.082 120.311 120.400 -0.013 0.000 2.464 62 K HA -0.189 4.133 4.320 0.002 0.000 0.200 62 K C 1.427 178.012 176.600 -0.025 0.000 1.044 62 K CA 1.880 58.147 56.287 -0.032 0.000 0.932 62 K CB -0.032 32.414 32.500 -0.090 0.000 0.753 62 K HN 0.438 nan 8.250 nan 0.000 0.492 63 T N -4.747 109.802 114.554 -0.009 0.000 3.029 63 T HA 0.035 4.387 4.350 0.002 0.000 0.256 63 T C -0.631 174.083 174.700 0.023 0.000 0.914 63 T CA -0.604 61.507 62.100 0.017 0.000 0.880 63 T CB 0.463 69.356 68.868 0.041 0.000 1.246 63 T HN 0.021 nan 8.240 nan 0.000 0.523 64 Q N 0.630 120.440 119.800 0.017 0.000 3.135 64 Q HA -0.083 4.258 4.340 0.002 0.000 0.048 64 Q C -0.731 175.283 176.000 0.024 0.000 1.656 64 Q CA 1.371 57.184 55.803 0.016 0.000 0.292 64 Q CB -0.875 27.871 28.738 0.013 0.000 0.586 64 Q HN 0.897 nan 8.270 nan 0.000 0.322 65 E N 0.793 121.007 120.200 0.023 0.000 3.538 65 E HA 0.175 4.527 4.350 0.002 0.000 0.363 65 E C -1.600 175.014 176.600 0.023 0.000 1.052 65 E CA 0.016 56.432 56.400 0.027 0.000 0.848 65 E CB 0.789 30.513 29.700 0.040 0.000 1.255 65 E HN 0.353 nan 8.360 nan 0.000 0.483 66 T N 5.242 119.807 114.554 0.018 0.000 2.739 66 T HA 0.453 4.804 4.350 0.002 0.000 0.298 66 T C -0.091 174.619 174.700 0.018 0.000 0.929 66 T CA -0.301 61.807 62.100 0.014 0.000 1.014 66 T CB 0.013 68.887 68.868 0.009 0.000 0.914 66 T HN 0.224 nan 8.240 nan 0.000 0.509 67 R N 1.835 122.348 120.500 0.022 0.000 2.720 67 R HA 0.657 4.998 4.340 0.002 0.000 0.272 67 R C -0.867 175.445 176.300 0.020 0.000 0.991 67 R CA -0.968 55.147 56.100 0.024 0.000 1.010 67 R CB 1.601 31.921 30.300 0.034 0.000 1.141 67 R HN 0.277 nan 8.270 nan 0.000 0.494 68 V N 3.265 123.190 119.914 0.018 0.000 2.277 68 V HA 0.194 4.316 4.120 0.002 0.000 0.269 68 V C -0.326 175.780 176.094 0.020 0.000 1.036 68 V CA -0.489 61.820 62.300 0.016 0.000 0.821 68 V CB 1.288 33.118 31.823 0.012 0.000 1.052 68 V HN 0.445 nan 8.190 nan 0.000 0.462 69 V N 5.396 125.325 119.914 0.025 0.000 2.617 69 V HA 0.399 4.521 4.120 0.002 0.000 0.298 69 V C 0.523 176.633 176.094 0.027 0.000 1.048 69 V CA -1.068 61.251 62.300 0.032 0.000 0.964 69 V CB 1.779 33.630 31.823 0.047 0.000 1.004 69 V HN 0.709 nan 8.190 nan 0.000 0.466 70 K N 2.214 122.631 120.400 0.028 0.000 2.219 70 K HA 0.208 4.530 4.320 0.002 0.000 0.258 70 K C 1.011 177.626 176.600 0.025 0.000 1.008 70 K CA -0.347 55.955 56.287 0.023 0.000 0.928 70 K CB 0.767 33.281 32.500 0.023 0.000 0.983 70 K HN 0.503 nan 8.250 nan 0.000 0.484 71 K N 0.825 121.235 120.400 0.018 0.000 2.009 71 K HA -0.180 4.141 4.320 0.002 0.000 0.210 71 K C 1.049 177.660 176.600 0.018 0.000 1.049 71 K CA 1.467 57.762 56.287 0.013 0.000 0.929 71 K CB -0.032 32.473 32.500 0.009 0.000 0.714 71 K HN 0.502 nan 8.250 nan 0.000 0.440 72 D N 0.885 121.299 120.400 0.023 0.000 2.652 72 D HA -0.048 4.594 4.640 0.002 0.000 0.247 72 D C -0.201 176.127 176.300 0.046 0.000 1.232 72 D CA 0.555 54.572 54.000 0.028 0.000 0.863 72 D CB -0.089 40.727 40.800 0.027 0.000 1.023 72 D HN 0.128 nan 8.370 nan 0.000 0.474 73 D N -0.312 120.120 120.400 0.054 0.000 2.516 73 D HA 0.075 4.716 4.640 0.002 0.000 0.241 73 D C 0.767 177.129 176.300 0.104 0.000 1.246 73 D CA -0.171 53.883 54.000 0.089 0.000 0.808 73 D CB 1.206 42.054 40.800 0.080 0.000 1.147 73 D HN 0.402 nan 8.370 nan 0.000 0.527 74 I N -0.456 120.151 120.570 0.062 0.000 2.395 74 I HA 0.613 4.784 4.170 0.002 0.000 0.289 74 I C 0.325 176.464 176.117 0.038 0.000 1.023 74 I CA -0.452 60.879 61.300 0.052 0.000 1.350 74 I CB 1.563 39.566 38.000 0.006 0.000 1.409 74 I HN -0.255 nan 8.210 nan 0.000 0.507 75 G N 5.401 114.251 108.800 0.084 0.000 2.417 75 G HA2 0.377 4.338 3.960 0.002 0.000 0.320 75 G HA3 0.377 4.338 3.960 0.002 0.000 0.320 75 G C -0.724 174.154 174.900 -0.037 0.000 1.204 75 G CA -0.675 44.467 45.100 0.069 0.000 0.923 75 G HN 0.770 nan 8.290 nan 0.000 0.466 76 Q N 1.050 120.685 119.800 -0.275 0.000 2.274 76 Q HA 0.124 4.466 4.340 0.002 0.000 0.280 76 Q C 0.447 176.175 176.000 -0.453 0.000 1.047 76 Q CA 0.301 55.707 55.803 -0.662 0.000 0.907 76 Q CB 1.428 29.161 28.738 -1.674 0.000 1.171 76 Q HN 0.571 nan 8.270 nan 0.000 0.381 77 R N 2.336 122.566 120.500 -0.450 0.000 2.486 77 R HA 0.226 4.568 4.340 0.002 0.000 0.286 77 R C -0.741 175.702 176.300 0.238 0.000 0.999 77 R CA -0.672 55.097 56.100 -0.552 0.000 0.993 77 R CB 0.807 30.406 30.300 -1.168 0.000 1.084 77 R HN 0.531 nan 8.270 nan 0.000 0.487 78 N N 4.197 123.074 118.700 0.296 0.000 2.530 78 N HA 0.222 4.963 4.740 0.002 0.000 0.273 78 N C -2.333 173.161 175.510 -0.027 0.000 1.173 78 N CA -1.190 52.012 53.050 0.253 0.000 0.967 78 N CB 0.771 39.319 38.487 0.103 0.000 1.109 78 N HN 0.438 nan 8.380 nan 0.000 0.453 79 P HA 0.088 nan 4.420 nan 0.000 0.271 79 P C -1.965 175.051 177.300 -0.474 0.000 1.233 79 P CA -1.002 61.645 63.100 -0.755 0.000 0.789 79 P CB 0.374 31.886 31.700 -0.313 0.000 0.951 80 P HA -0.192 nan 4.420 nan 0.000 0.217 80 P C 1.628 178.788 177.300 -0.234 0.000 1.148 80 P CA 2.006 64.930 63.100 -0.293 0.000 0.834 80 P CB -0.191 31.373 31.700 -0.228 0.000 0.783 81 K N -0.733 119.451 120.400 -0.360 0.000 2.218 81 K HA -0.159 4.163 4.320 0.002 0.000 0.205 81 K C 1.293 177.604 176.600 -0.482 0.000 1.046 81 K CA 1.378 57.376 56.287 -0.482 0.000 0.933 81 K CB -0.485 31.584 32.500 -0.718 0.000 0.728 81 K HN 0.162 nan 8.250 nan 0.000 0.454 82 F N 1.491 121.384 119.950 -0.096 0.000 2.776 82 F HA 0.123 4.652 4.527 0.002 0.000 0.300 82 F C 0.718 176.518 175.800 -0.001 0.000 1.116 82 F CA -0.454 57.521 58.000 -0.041 0.000 1.375 82 F CB 0.209 39.195 39.000 -0.024 0.000 1.109 82 F HN -0.151 nan 8.300 nan 0.000 0.585 83 E N 1.219 121.492 120.200 0.121 0.000 2.415 83 E HA -0.041 4.311 4.350 0.002 0.000 0.262 83 E C 1.035 177.672 176.600 0.062 0.000 1.038 83 E CA 0.337 56.815 56.400 0.130 0.000 0.921 83 E CB 0.319 30.074 29.700 0.093 0.000 0.950 83 E HN 0.164 nan 8.360 nan 0.000 0.438 84 M N -0.363 119.273 119.600 0.059 0.000 2.762 84 M HA -0.297 4.185 4.480 0.002 0.000 0.190 84 M C 0.197 176.469 176.300 -0.048 0.000 0.586 84 M CA 0.662 55.941 55.300 -0.035 0.000 0.620 84 M CB -2.786 29.752 32.600 -0.104 0.000 2.269 84 M HN 0.652 nan 8.290 nan 0.000 0.563 85 N N 0.261 118.985 118.700 0.041 0.000 2.353 85 N HA 0.054 4.795 4.740 0.002 0.000 0.248 85 N C 1.110 176.641 175.510 0.036 0.000 1.240 85 N CA 0.276 53.366 53.050 0.067 0.000 0.862 85 N CB 0.493 39.077 38.487 0.162 0.000 1.086 85 N HN 0.371 nan 8.380 nan 0.000 0.453 86 M N 0.787 120.412 119.600 0.042 0.000 2.248 86 M HA -0.014 4.468 4.480 0.002 0.000 0.265 86 M C 0.140 176.529 176.300 0.149 0.000 1.079 86 M CA 0.856 56.192 55.300 0.060 0.000 1.150 86 M CB 0.085 32.728 32.600 0.072 0.000 1.366 86 M HN 0.461 nan 8.290 nan 0.000 0.433 87 D N -0.096 120.408 120.400 0.174 0.000 2.471 87 D HA 0.260 4.902 4.640 0.002 0.000 0.245 87 D C 0.426 176.814 176.300 0.147 0.000 1.116 87 D CA -0.151 53.977 54.000 0.213 0.000 0.853 87 D CB 1.182 42.104 40.800 0.204 0.000 1.123 87 D HN 0.141 nan 8.370 nan 0.000 0.540 88 M N 2.244 121.927 119.600 0.138 0.000 2.629 88 M HA -0.072 4.410 4.480 0.002 0.000 0.257 88 M C 1.764 178.106 176.300 0.070 0.000 1.071 88 M CA 0.698 56.055 55.300 0.095 0.000 1.077 88 M CB 0.001 32.656 32.600 0.090 0.000 1.423 88 M HN 0.416 nan 8.290 nan 0.000 0.508 89 A N 0.859 123.729 122.820 0.083 0.000 2.014 89 A HA -0.084 4.238 4.320 0.002 0.000 0.218 89 A C 1.852 179.458 177.584 0.036 0.000 1.163 89 A CA 1.193 53.264 52.037 0.057 0.000 0.652 89 A CB -0.429 18.605 19.000 0.056 0.000 0.808 89 A HN 0.466 nan 8.150 nan 0.000 0.449 90 N N 0.127 118.859 118.700 0.054 0.000 2.457 90 N HA 0.038 4.779 4.740 0.002 0.000 0.180 90 N C 0.394 175.883 175.510 -0.035 0.000 1.050 90 N CA 0.210 53.302 53.050 0.070 0.000 0.906 90 N CB -0.319 38.256 38.487 0.148 0.000 0.968 90 N HN 0.450 nan 8.380 nan 0.000 0.445 91 L N 0.549 121.695 121.223 -0.128 0.000 2.514 91 L HA -0.066 4.276 4.340 0.002 0.000 0.280 91 L C 1.961 178.535 176.870 -0.493 0.000 1.223 91 L CA 0.241 54.832 54.840 -0.415 0.000 0.864 91 L CB 0.438 42.389 42.059 -0.180 0.000 1.118 91 L HN 0.027 nan 8.230 nan 0.000 0.494 92 T N 2.368 116.376 114.554 -0.911 0.000 3.009 92 T HA 0.123 4.474 4.350 0.002 0.000 0.258 92 T C 0.408 174.807 174.700 -0.502 0.000 1.063 92 T CA 0.515 62.225 62.100 -0.651 0.000 1.139 92 T CB -0.003 68.406 68.868 -0.766 0.000 0.890 92 T HN 0.273 nan 8.240 nan 0.000 0.471 93 F N 1.401 121.241 119.950 -0.182 0.000 2.402 93 F HA 0.480 5.008 4.527 0.002 0.000 0.355 93 F C 0.133 175.908 175.800 -0.042 0.000 1.123 93 F CA -1.007 56.961 58.000 -0.054 0.000 1.021 93 F CB 1.497 40.504 39.000 0.011 0.000 1.160 93 F HN -0.097 nan 8.300 nan 0.000 0.451 94 L N 4.272 125.585 121.223 0.149 0.000 3.073 94 L HA 0.200 4.542 4.340 0.002 0.000 0.242 94 L C -0.349 176.545 176.870 0.040 0.000 1.317 94 L CA -0.572 54.309 54.840 0.067 0.000 1.081 94 L CB -0.888 41.194 42.059 0.039 0.000 1.456 94 L HN 0.578 nan 8.230 nan 0.000 0.525 95 N N -2.020 116.700 118.700 0.035 0.000 2.476 95 N HA 0.077 4.819 4.740 0.002 0.000 0.275 95 N C 0.770 176.182 175.510 -0.163 0.000 1.190 95 N CA -0.732 52.284 53.050 -0.057 0.000 0.977 95 N CB 0.787 39.231 38.487 -0.073 0.000 1.200 95 N HN 0.039 nan 8.380 nan 0.000 0.515 96 E N -0.014 120.054 120.200 -0.219 0.000 2.108 96 E HA -0.341 4.011 4.350 0.002 0.000 0.203 96 E C 1.720 178.030 176.600 -0.484 0.000 1.022 96 E CA 2.111 58.354 56.400 -0.262 0.000 0.823 96 E CB -0.332 29.260 29.700 -0.180 0.000 0.744 96 E HN 0.710 nan 8.360 nan 0.000 0.456 97 A N 0.247 122.492 122.820 -0.958 0.000 1.865 97 A HA -0.235 4.087 4.320 0.002 0.000 0.217 97 A C 2.363 179.408 177.584 -0.899 0.000 1.191 97 A CA 2.148 53.437 52.037 -1.247 0.000 0.623 97 A CB -0.778 17.330 19.000 -1.487 0.000 0.826 97 A HN 0.280 nan 8.150 nan 0.000 0.444 98 S N -0.192 115.166 115.700 -0.570 0.000 2.400 98 S HA -0.115 4.356 4.470 0.002 0.000 0.232 98 S C 1.766 176.336 174.600 -0.050 0.000 1.025 98 S CA 1.364 59.501 58.200 -0.105 0.000 0.993 98 S CB -0.358 62.958 63.200 0.193 0.000 0.808 98 S HN 0.468 nan 8.310 nan 0.000 0.478 99 I N 1.125 121.630 120.570 -0.108 0.000 2.286 99 I HA -0.066 4.106 4.170 0.002 0.000 0.245 99 I C 2.252 178.332 176.117 -0.062 0.000 1.104 99 I CA 0.849 62.119 61.300 -0.051 0.000 1.397 99 I CB -1.351 36.618 38.000 -0.052 0.000 1.072 99 I HN 0.294 nan 8.210 nan 0.000 0.417 100 L N 0.717 121.868 121.223 -0.121 0.000 2.012 100 L HA -0.253 4.088 4.340 0.002 0.000 0.210 100 L C 2.656 179.480 176.870 -0.077 0.000 1.073 100 L CA 2.079 56.869 54.840 -0.083 0.000 0.748 100 L CB -1.125 40.898 42.059 -0.060 0.000 0.891 100 L HN 0.268 nan 8.230 nan 0.000 0.431 101 H N -0.313 118.625 119.070 -0.220 0.000 2.270 101 H HA -0.193 4.365 4.556 0.002 0.000 0.299 101 H C 2.272 177.623 175.328 0.037 0.000 1.077 101 H CA 2.346 58.330 56.048 -0.106 0.000 1.294 101 H CB -0.360 29.332 29.762 -0.118 0.000 1.371 101 H HN 0.552 nan 8.280 nan 0.000 0.491 102 N N -0.685 118.058 118.700 0.071 0.000 2.060 102 N HA -0.206 4.535 4.740 0.002 0.000 0.195 102 N C 1.956 177.452 175.510 -0.022 0.000 1.028 102 N CA 1.413 54.493 53.050 0.051 0.000 0.861 102 N CB -0.099 38.451 38.487 0.105 0.000 1.029 102 N HN 0.320 nan 8.380 nan 0.000 0.428 103 L N 0.531 121.742 121.223 -0.020 0.000 2.027 103 L HA -0.142 4.199 4.340 0.002 0.000 0.206 103 L C 2.778 179.646 176.870 -0.003 0.000 1.074 103 L CA 0.934 55.767 54.840 -0.012 0.000 0.745 103 L CB -0.435 41.605 42.059 -0.031 0.000 0.898 103 L HN 0.247 nan 8.230 nan 0.000 0.433 104 R N 0.285 120.761 120.500 -0.040 0.000 2.075 104 R HA -0.196 4.146 4.340 0.002 0.000 0.230 104 R C 2.581 178.882 176.300 0.002 0.000 1.140 104 R CA 2.116 58.221 56.100 0.007 0.000 0.928 104 R CB -0.390 29.903 30.300 -0.011 0.000 0.834 104 R HN 0.448 nan 8.270 nan 0.000 0.429 105 S N 0.497 116.092 115.700 -0.176 0.000 2.400 105 S HA -0.228 4.244 4.470 0.002 0.000 0.234 105 S C 1.990 176.601 174.600 0.018 0.000 1.049 105 S CA 1.582 59.696 58.200 -0.144 0.000 1.039 105 S CB -0.512 62.470 63.200 -0.364 0.000 0.856 105 S HN 0.445 nan 8.310 nan 0.000 0.465 106 R N -0.928 119.606 120.500 0.056 0.000 2.153 106 R HA 0.098 4.440 4.340 0.002 0.000 0.218 106 R C 2.171 178.641 176.300 0.283 0.000 1.072 106 R CA 1.139 57.343 56.100 0.174 0.000 0.990 106 R CB -0.335 30.034 30.300 0.114 0.000 0.889 106 R HN 0.580 nan 8.270 nan 0.000 0.452 107 Y N 1.348 121.685 120.300 0.062 0.000 2.420 107 Y HA 0.011 4.562 4.550 0.002 0.000 0.292 107 Y C 1.248 177.166 175.900 0.030 0.000 1.119 107 Y CA 1.017 59.137 58.100 0.035 0.000 1.229 107 Y CB 0.300 38.756 38.460 -0.007 0.000 1.026 107 Y HN -0.060 nan 8.280 nan 0.000 0.554 108 E N -0.936 119.287 120.200 0.038 0.000 2.476 108 E HA 0.058 4.409 4.350 0.002 0.000 0.191 108 E C 0.701 177.279 176.600 -0.036 0.000 1.064 108 E CA 0.265 56.638 56.400 -0.045 0.000 0.866 108 E CB 0.118 29.833 29.700 0.025 0.000 0.952 108 E HN 0.156 nan 8.360 nan 0.000 0.492 109 S N -1.076 114.626 115.700 0.003 0.000 2.855 109 S HA 0.247 4.718 4.470 0.002 0.000 0.249 109 S C 0.793 175.267 174.600 -0.210 0.000 1.033 109 S CA 0.249 58.459 58.200 0.017 0.000 1.038 109 S CB 1.421 64.759 63.200 0.229 0.000 0.960 109 S HN 0.427 nan 8.310 nan 0.000 0.548 110 G N 1.361 110.002 108.800 -0.265 0.000 2.176 110 G HA2 -0.255 3.706 3.960 0.002 0.000 0.253 110 G HA3 -0.255 3.706 3.960 0.002 0.000 0.253 110 G C -0.128 174.531 174.900 -0.402 0.000 0.979 110 G CA -0.228 44.648 45.100 -0.373 0.000 0.641 110 G HN 0.467 nan 8.290 nan 0.000 0.530 111 F N 0.513 120.482 119.950 0.032 0.000 2.410 111 F HA 0.602 5.131 4.527 0.002 0.000 0.349 111 F C 1.662 177.517 175.800 0.092 0.000 1.117 111 F CA -0.581 57.457 58.000 0.065 0.000 1.104 111 F CB 1.083 40.103 39.000 0.033 0.000 1.122 111 F HN 0.094 nan 8.300 nan 0.000 0.483 112 I N -0.846 119.807 120.570 0.139 0.000 3.708 112 I HA 0.248 4.419 4.170 0.002 0.000 0.302 112 I C -0.476 175.521 176.117 -0.201 0.000 1.255 112 I CA 0.118 61.396 61.300 -0.037 0.000 1.362 112 I CB 0.038 37.877 38.000 -0.268 0.000 1.100 112 I HN 0.294 nan 8.210 nan 0.000 0.434 113 Y N 2.098 122.385 120.300 -0.022 0.000 2.320 113 Y HA 0.613 5.164 4.550 0.002 0.000 0.334 113 Y C -0.140 175.671 175.900 -0.149 0.000 1.055 113 Y CA -0.553 57.466 58.100 -0.134 0.000 1.143 113 Y CB 1.755 40.065 38.460 -0.250 0.000 1.193 113 Y HN -0.060 nan 8.280 nan 0.000 0.477 114 T N 2.722 117.277 114.554 0.002 0.000 3.105 114 T HA 0.303 4.655 4.350 0.002 0.000 0.321 114 T C -1.285 173.414 174.700 -0.002 0.000 1.135 114 T CA -1.002 61.074 62.100 -0.040 0.000 1.053 114 T CB 0.582 69.466 68.868 0.026 0.000 1.133 114 T HN 0.359 nan 8.240 nan 0.000 0.463 115 Y N 1.066 121.446 120.300 0.133 0.000 2.299 115 Y HA 0.527 5.079 4.550 0.002 0.000 0.326 115 Y C 1.011 176.997 175.900 0.144 0.000 1.164 115 Y CA -0.540 57.649 58.100 0.149 0.000 1.234 115 Y CB 1.412 39.950 38.460 0.131 0.000 1.219 115 Y HN 0.533 nan 8.280 nan 0.000 0.497 116 S N 2.461 118.388 115.700 0.378 0.000 2.383 116 S HA 0.516 4.988 4.470 0.002 0.000 0.196 116 S C 0.177 174.933 174.600 0.261 0.000 1.364 116 S CA 0.185 58.554 58.200 0.283 0.000 1.212 116 S CB -0.426 62.942 63.200 0.280 0.000 1.171 116 S HN 1.205 nan 8.310 nan 0.000 0.456 117 G N 3.834 112.729 108.800 0.158 0.000 2.556 117 G HA2 -0.279 3.682 3.960 0.002 0.000 0.283 117 G HA3 -0.279 3.682 3.960 0.002 0.000 0.283 117 G C 0.670 175.600 174.900 0.050 0.000 1.177 117 G CA 0.355 45.495 45.100 0.067 0.000 0.978 117 G HN 0.716 nan 8.290 nan 0.000 0.554 118 L N 0.445 121.652 121.223 -0.027 0.000 2.156 118 L HA 0.229 4.571 4.340 0.002 0.000 0.208 118 L C 1.734 178.714 176.870 0.183 0.000 1.095 118 L CA 0.348 55.210 54.840 0.036 0.000 0.770 118 L CB -0.392 41.669 42.059 0.003 0.000 0.914 118 L HN 0.317 nan 8.230 nan 0.000 0.439 119 F N -0.600 119.515 119.950 0.276 0.000 2.553 119 F HA -0.013 4.516 4.527 0.002 0.000 0.356 119 F C 0.680 176.684 175.800 0.341 0.000 1.142 119 F CA -0.525 57.633 58.000 0.262 0.000 1.322 119 F CB 0.439 39.503 39.000 0.107 0.000 1.126 119 F HN -0.047 nan 8.300 nan 0.000 0.599 120 C N 6.630 126.268 119.300 0.564 0.000 2.294 120 C HA 0.610 5.072 4.460 0.002 0.000 0.319 120 C C -0.163 175.007 174.990 0.300 0.000 1.164 120 C CA -0.913 58.399 59.018 0.490 0.000 1.497 120 C CB -1.572 26.440 27.740 0.454 0.000 2.061 120 C HN 0.677 nan 8.230 nan 0.000 0.438 121 I N 5.465 126.159 120.570 0.208 0.000 2.365 121 I HA 0.532 4.704 4.170 0.002 0.000 0.291 121 I C 0.593 176.761 176.117 0.085 0.000 1.004 121 I CA 0.129 61.487 61.300 0.097 0.000 1.311 121 I CB 1.391 39.409 38.000 0.031 0.000 1.401 121 I HN 0.809 nan 8.210 nan 0.000 0.491 122 A N 8.000 130.827 122.820 0.011 0.000 2.375 122 A HA 0.658 4.979 4.320 0.002 0.000 0.291 122 A C -0.585 176.859 177.584 -0.235 0.000 1.160 122 A CA -0.459 51.487 52.037 -0.152 0.000 0.747 122 A CB 0.530 19.484 19.000 -0.076 0.000 1.170 122 A HN 0.632 nan 8.150 nan 0.000 0.458 123 I N 1.822 122.209 120.570 -0.306 0.000 2.472 123 I HA 0.139 4.310 4.170 0.002 0.000 0.290 123 I C 0.393 176.281 176.117 -0.382 0.000 1.016 123 I CA -0.839 60.227 61.300 -0.390 0.000 1.348 123 I CB 1.015 38.652 38.000 -0.605 0.000 1.417 123 I HN 0.605 nan 8.210 nan 0.000 0.521 124 N N 7.733 126.178 118.700 -0.424 0.000 2.440 124 N HA 0.040 4.781 4.740 0.002 0.000 0.265 124 N C -1.559 173.755 175.510 -0.328 0.000 1.239 124 N CA -1.345 51.423 53.050 -0.471 0.000 0.909 124 N CB 1.069 39.067 38.487 -0.816 0.000 1.066 124 N HN 0.364 nan 8.380 nan 0.000 0.474 125 P HA -0.045 nan 4.420 nan 0.000 0.226 125 P C -0.528 176.834 177.300 0.103 0.000 1.161 125 P CA 0.574 63.710 63.100 0.060 0.000 0.804 125 P CB 0.324 32.009 31.700 -0.024 0.000 0.829 126 Y N 0.562 120.881 120.300 0.032 0.000 3.178 126 Y HA -0.263 4.289 4.550 0.002 0.000 0.200 126 Y C 0.478 176.368 175.900 -0.018 0.000 1.427 126 Y CA -0.116 57.989 58.100 0.010 0.000 1.250 126 Y CB -1.693 36.788 38.460 0.035 0.000 1.421 126 Y HN 0.319 nan 8.280 nan 0.000 0.506 127 R N -1.108 119.452 120.500 0.099 0.000 4.498 127 R HA 0.312 4.653 4.340 0.002 0.000 0.244 127 R C -1.504 174.771 176.300 -0.041 0.000 0.975 127 R CA -1.207 54.904 56.100 0.018 0.000 1.233 127 R CB 0.670 30.969 30.300 -0.003 0.000 1.221 127 R HN 0.139 nan 8.270 nan 0.000 0.619 128 R N 2.502 122.971 120.500 -0.053 0.000 2.570 128 R HA 0.274 4.615 4.340 0.002 0.000 0.277 128 R C -0.230 175.982 176.300 -0.146 0.000 1.039 128 R CA 0.064 56.119 56.100 -0.075 0.000 1.065 128 R CB 0.288 30.555 30.300 -0.055 0.000 0.964 128 R HN 0.424 nan 8.270 nan 0.000 0.428 129 L N 3.949 125.081 121.223 -0.153 0.000 2.354 129 L HA 0.342 4.683 4.340 0.002 0.000 0.264 129 L C -1.097 175.670 176.870 -0.171 0.000 1.008 129 L CA -2.055 52.575 54.840 -0.349 0.000 0.819 129 L CB 2.264 44.065 42.059 -0.430 0.000 1.339 129 L HN 0.440 nan 8.230 nan 0.000 0.420 130 P HA -0.166 nan 4.420 nan 0.000 0.216 130 P C 1.506 178.848 177.300 0.070 0.000 1.150 130 P CA 1.426 64.512 63.100 -0.022 0.000 0.837 130 P CB 0.196 31.909 31.700 0.022 0.000 0.786 131 I N -1.966 118.591 120.570 -0.023 0.000 2.428 131 I HA -0.277 3.894 4.170 0.002 0.000 0.260 131 I C 0.853 176.816 176.117 -0.256 0.000 1.023 131 I CA 1.668 62.863 61.300 -0.175 0.000 1.386 131 I CB -1.467 36.220 38.000 -0.522 0.000 1.055 131 I HN 0.012 nan 8.210 nan 0.000 0.457 132 Y N 0.661 121.017 120.300 0.093 0.000 2.781 132 Y HA 0.308 4.859 4.550 0.002 0.000 0.326 132 Y C 0.784 176.861 175.900 0.296 0.000 1.019 132 Y CA -0.711 57.506 58.100 0.195 0.000 1.372 132 Y CB -0.247 38.301 38.460 0.146 0.000 1.260 132 Y HN -0.105 nan 8.280 nan 0.000 0.546 133 T N 0.399 115.165 114.554 0.355 0.000 2.897 133 T HA 0.034 4.386 4.350 0.002 0.000 0.294 133 T C 1.125 175.975 174.700 0.250 0.000 1.004 133 T CA -0.416 61.841 62.100 0.262 0.000 1.106 133 T CB 1.097 70.083 68.868 0.197 0.000 0.949 133 T HN 0.442 nan 8.240 nan 0.000 0.520 134 Q N 1.338 121.231 119.800 0.155 0.000 2.541 134 Q HA 0.004 4.345 4.340 0.002 0.000 0.215 134 Q C 2.010 178.055 176.000 0.075 0.000 0.977 134 Q CA 0.331 56.181 55.803 0.077 0.000 0.934 134 Q CB -0.024 28.733 28.738 0.031 0.000 0.988 134 Q HN 0.929 nan 8.270 nan 0.000 0.521 135 G N -0.034 108.836 108.800 0.117 0.000 2.510 135 G HA2 -0.052 3.909 3.960 0.002 0.000 0.212 135 G HA3 -0.052 3.909 3.960 0.002 0.000 0.212 135 G C 1.289 176.279 174.900 0.149 0.000 1.151 135 G CA -0.187 44.978 45.100 0.107 0.000 0.817 135 G HN 0.165 nan 8.290 nan 0.000 0.534 136 L N 0.574 121.929 121.223 0.219 0.000 2.072 136 L HA -0.043 4.298 4.340 0.002 0.000 0.205 136 L C 2.971 180.063 176.870 0.370 0.000 1.079 136 L CA 0.480 55.511 54.840 0.319 0.000 0.752 136 L CB -0.309 41.978 42.059 0.380 0.000 0.906 136 L HN 0.054 nan 8.230 nan 0.000 0.436 137 V N 0.062 120.143 119.914 0.279 0.000 2.313 137 V HA -0.394 3.728 4.120 0.002 0.000 0.253 137 V C 2.037 178.212 176.094 0.136 0.000 1.070 137 V CA 2.131 64.499 62.300 0.112 0.000 1.057 137 V CB -0.556 31.171 31.823 -0.160 0.000 0.653 137 V HN 0.506 nan 8.190 nan 0.000 0.450 138 D N -0.405 120.055 120.400 0.100 0.000 2.224 138 D HA -0.095 4.546 4.640 0.002 0.000 0.205 138 D C 1.990 178.341 176.300 0.085 0.000 0.965 138 D CA 0.859 54.900 54.000 0.068 0.000 0.852 138 D CB -0.111 40.714 40.800 0.041 0.000 0.947 138 D HN 0.472 nan 8.370 nan 0.000 0.494 139 K N -0.546 119.927 120.400 0.122 0.000 2.505 139 K HA -0.005 4.316 4.320 0.002 0.000 0.192 139 K C 0.643 177.163 176.600 -0.133 0.000 1.025 139 K CA 0.233 56.531 56.287 0.019 0.000 1.086 139 K CB 0.404 32.926 32.500 0.037 0.000 0.840 139 K HN 0.232 nan 8.250 nan 0.000 0.514 140 Y N -0.450 119.897 120.300 0.078 0.000 2.652 140 Y HA 0.121 4.672 4.550 0.002 0.000 0.274 140 Y C 0.473 176.430 175.900 0.096 0.000 1.148 140 Y CA -0.750 57.400 58.100 0.083 0.000 1.219 140 Y CB 0.467 38.978 38.460 0.085 0.000 1.337 140 Y HN -0.163 nan 8.280 nan 0.000 0.490 141 R N 1.455 122.102 120.500 0.245 0.000 2.481 141 R HA 0.121 4.462 4.340 0.002 0.000 0.291 141 R C 1.284 177.657 176.300 0.122 0.000 0.934 141 R CA 1.147 57.356 56.100 0.182 0.000 1.116 141 R CB -0.401 29.948 30.300 0.082 0.000 0.895 141 R HN 0.615 nan 8.270 nan 0.000 0.410 142 G N 2.894 111.770 108.800 0.127 0.000 2.228 142 G HA2 -0.369 3.592 3.960 0.002 0.000 0.270 142 G HA3 -0.369 3.592 3.960 0.002 0.000 0.270 142 G C -0.172 174.747 174.900 0.031 0.000 0.976 142 G CA 0.893 46.030 45.100 0.062 0.000 0.636 142 G HN 0.591 nan 8.290 nan 0.000 0.542 143 K N 0.762 121.191 120.400 0.049 0.000 2.144 143 K HA 0.425 4.746 4.320 0.002 0.000 0.270 143 K C 0.900 177.514 176.600 0.024 0.000 1.005 143 K CA -0.642 55.656 56.287 0.019 0.000 0.932 143 K CB 0.769 33.263 32.500 -0.010 0.000 1.021 143 K HN 0.540 nan 8.250 nan 0.000 0.462 144 R N 2.285 122.784 120.500 -0.002 0.000 2.340 144 R HA 0.181 4.522 4.340 0.002 0.000 0.300 144 R C 0.706 177.021 176.300 0.025 0.000 1.069 144 R CA -0.452 55.643 56.100 -0.009 0.000 0.984 144 R CB 0.772 31.055 30.300 -0.029 0.000 1.003 144 R HN 0.639 nan 8.270 nan 0.000 0.459 145 R N 2.186 122.707 120.500 0.035 0.000 2.227 145 R HA -0.324 4.018 4.340 0.002 0.000 0.259 145 R C 1.798 178.137 176.300 0.065 0.000 1.139 145 R CA 2.805 58.935 56.100 0.050 0.000 0.969 145 R CB -0.593 29.663 30.300 -0.073 0.000 0.903 145 R HN 0.887 nan 8.270 nan 0.000 0.452 146 A N -0.035 122.800 122.820 0.024 0.000 2.168 146 A HA -0.110 4.212 4.320 0.002 0.000 0.215 146 A C 1.678 179.291 177.584 0.049 0.000 1.152 146 A CA 1.012 53.072 52.037 0.039 0.000 0.716 146 A CB -0.199 18.808 19.000 0.012 0.000 0.794 146 A HN 0.436 nan 8.150 nan 0.000 0.465 147 E N -1.068 119.152 120.200 0.035 0.000 2.208 147 E HA -0.033 4.319 4.350 0.002 0.000 0.193 147 E C 0.095 176.699 176.600 0.007 0.000 0.988 147 E CA 0.479 56.888 56.400 0.014 0.000 0.828 147 E CB 0.009 29.703 29.700 -0.010 0.000 0.763 147 E HN 0.466 nan 8.360 nan 0.000 0.478 148 M N 0.194 119.809 119.600 0.025 0.000 2.662 148 M HA 0.375 4.857 4.480 0.002 0.000 0.310 148 M C -2.494 173.902 176.300 0.161 0.000 1.204 148 M CA -2.879 52.419 55.300 -0.004 0.000 0.891 148 M CB 1.271 33.697 32.600 -0.291 0.000 1.732 148 M HN -0.266 nan 8.290 nan 0.000 0.467 149 P HA 0.279 nan 4.420 nan 0.000 0.274 149 P C -2.684 174.773 177.300 0.262 0.000 1.246 149 P CA -1.257 61.955 63.100 0.187 0.000 0.795 149 P CB -0.942 30.836 31.700 0.130 0.000 1.006 150 P HA -0.014 nan 4.420 nan 0.000 0.261 150 P C -0.564 176.596 177.300 -0.233 0.000 1.165 150 P CA 1.212 64.116 63.100 -0.326 0.000 0.759 150 P CB -0.200 31.174 31.700 -0.543 0.000 0.772 151 H N 1.285 120.038 119.070 -0.529 0.000 3.153 151 H HA 0.093 4.650 4.556 0.002 0.000 0.323 151 H C 0.462 175.260 175.328 -0.883 0.000 1.096 151 H CA -0.756 54.692 56.048 -1.000 0.000 1.385 151 H CB 0.686 29.908 29.762 -0.900 0.000 2.027 151 H HN 0.225 nan 8.280 nan 0.000 0.499 152 L N 4.223 124.895 121.223 -0.918 0.000 2.089 152 L HA -0.149 4.192 4.340 0.002 0.000 0.213 152 L C 1.319 178.077 176.870 -0.186 0.000 1.079 152 L CA 1.874 56.512 54.840 -0.337 0.000 0.758 152 L CB -0.560 41.407 42.059 -0.153 0.000 0.891 152 L HN 0.757 nan 8.230 nan 0.000 0.433 153 F N -1.595 118.043 119.950 -0.521 0.000 2.161 153 F HA -0.288 4.240 4.527 0.002 0.000 0.300 153 F C 2.793 178.195 175.800 -0.662 0.000 1.089 153 F CA 0.801 58.257 58.000 -0.906 0.000 1.282 153 F CB -0.408 37.862 39.000 -1.217 0.000 1.010 153 F HN 0.226 nan 8.300 nan 0.000 0.485 154 S N 0.977 116.561 115.700 -0.194 0.000 2.351 154 S HA -0.250 4.221 4.470 0.002 0.000 0.220 154 S C 2.034 176.667 174.600 0.056 0.000 1.035 154 S CA 1.595 59.848 58.200 0.088 0.000 1.031 154 S CB -0.552 62.829 63.200 0.301 0.000 0.928 154 S HN 0.467 nan 8.310 nan 0.000 0.433 155 I N 0.937 121.553 120.570 0.076 0.000 2.226 155 I HA -0.104 4.067 4.170 0.002 0.000 0.245 155 I C 2.276 178.390 176.117 -0.005 0.000 1.100 155 I CA 1.653 63.007 61.300 0.090 0.000 1.374 155 I CB -0.548 37.557 38.000 0.176 0.000 1.057 155 I HN 0.362 nan 8.210 nan 0.000 0.413 156 A N 0.201 122.980 122.820 -0.068 0.000 1.930 156 A HA -0.258 4.063 4.320 0.002 0.000 0.217 156 A C 2.191 179.856 177.584 0.135 0.000 1.175 156 A CA 1.905 53.938 52.037 -0.008 0.000 0.627 156 A CB -0.897 17.875 19.000 -0.379 0.000 0.815 156 A HN 0.651 nan 8.150 nan 0.000 0.443 157 D N -0.092 120.263 120.400 -0.075 0.000 2.084 157 D HA -0.157 4.484 4.640 0.002 0.000 0.196 157 D C 1.514 177.909 176.300 0.158 0.000 0.985 157 D CA 1.247 55.349 54.000 0.170 0.000 0.826 157 D CB -0.278 40.615 40.800 0.155 0.000 0.978 157 D HN 0.409 nan 8.370 nan 0.000 0.456 158 N N 0.618 119.347 118.700 0.049 0.000 2.205 158 N HA -0.154 4.587 4.740 0.002 0.000 0.186 158 N C 1.847 177.340 175.510 -0.028 0.000 1.015 158 N CA 1.070 54.099 53.050 -0.036 0.000 0.862 158 N CB -0.151 38.345 38.487 0.015 0.000 0.986 158 N HN 0.203 nan 8.380 nan 0.000 0.429 159 A N 0.334 123.088 122.820 -0.110 0.000 2.019 159 A HA -0.174 4.147 4.320 0.002 0.000 0.219 159 A C 2.007 179.519 177.584 -0.121 0.000 1.164 159 A CA 0.858 52.704 52.037 -0.319 0.000 0.644 159 A CB -0.653 17.982 19.000 -0.609 0.000 0.805 159 A HN 0.393 nan 8.150 nan 0.000 0.449 160 Y N 0.511 120.717 120.300 -0.158 0.000 2.286 160 Y HA -0.112 4.439 4.550 0.002 0.000 0.293 160 Y C 2.383 178.159 175.900 -0.207 0.000 1.124 160 Y CA 1.791 59.750 58.100 -0.235 0.000 1.178 160 Y CB -0.423 38.013 38.460 -0.041 0.000 1.010 160 Y HN 0.461 nan 8.280 nan 0.000 0.536 161 Q N -1.259 118.393 119.800 -0.247 0.000 2.016 161 Q HA -0.219 4.122 4.340 0.002 0.000 0.200 161 Q C 2.118 177.933 176.000 -0.309 0.000 0.978 161 Q CA 2.060 57.655 55.803 -0.347 0.000 0.833 161 Q CB -0.630 27.934 28.738 -0.289 0.000 0.895 161 Q HN 0.576 nan 8.270 nan 0.000 0.427 162 Y N 0.764 120.948 120.300 -0.194 0.000 2.102 162 Y HA -0.337 4.215 4.550 0.002 0.000 0.280 162 Y C 2.577 178.327 175.900 -0.250 0.000 1.178 162 Y CA 1.421 59.428 58.100 -0.156 0.000 1.146 162 Y CB -0.191 38.192 38.460 -0.129 0.000 0.968 162 Y HN 0.215 nan 8.280 nan 0.000 0.504 163 M N -0.179 119.310 119.600 -0.186 0.000 2.108 163 M HA -0.247 4.234 4.480 0.002 0.000 0.261 163 M C 1.768 177.755 176.300 -0.522 0.000 1.066 163 M CA 1.838 56.904 55.300 -0.390 0.000 1.107 163 M CB -0.251 32.076 32.600 -0.456 0.000 1.356 163 M HN 0.320 nan 8.290 nan 0.000 0.406 164 L N -0.624 120.301 121.223 -0.495 0.000 2.240 164 L HA -0.141 4.200 4.340 0.002 0.000 0.211 164 L C 2.418 179.121 176.870 -0.280 0.000 1.106 164 L CA 0.867 55.461 54.840 -0.410 0.000 0.793 164 L CB -0.654 41.134 42.059 -0.452 0.000 0.927 164 L HN 0.440 nan 8.230 nan 0.000 0.446 165 Q N 0.134 119.794 119.800 -0.233 0.000 1.969 165 Q HA -0.154 4.188 4.340 0.002 0.000 0.198 165 Q C 1.349 177.288 176.000 -0.103 0.000 0.978 165 Q CA 1.493 57.215 55.803 -0.135 0.000 0.830 165 Q CB 0.116 28.797 28.738 -0.095 0.000 0.896 165 Q HN 0.431 nan 8.270 nan 0.000 0.431 166 D N -0.130 120.222 120.400 -0.079 0.000 2.340 166 D HA 0.023 4.665 4.640 0.002 0.000 0.220 166 D C -0.274 175.923 176.300 -0.171 0.000 1.039 166 D CA 0.141 54.100 54.000 -0.070 0.000 0.866 166 D CB 0.189 40.998 40.800 0.015 0.000 0.913 166 D HN 0.164 nan 8.370 nan 0.000 0.523 167 R N 1.212 121.495 120.500 -0.361 0.000 3.333 167 R HA -0.198 4.144 4.340 0.002 0.000 0.256 167 R C -0.156 175.794 176.300 -0.583 0.000 1.010 167 R CA 0.695 56.374 56.100 -0.702 0.000 0.680 167 R CB -2.423 27.710 30.300 -0.278 0.000 1.102 167 R HN 0.520 nan 8.270 nan 0.000 0.440 168 E N -0.067 119.853 120.200 -0.467 0.000 2.343 168 E HA 0.377 4.728 4.350 0.002 0.000 0.270 168 E C -0.661 175.783 176.600 -0.260 0.000 0.895 168 E CA -1.181 55.084 56.400 -0.225 0.000 0.767 168 E CB 1.131 30.782 29.700 -0.082 0.000 1.248 168 E HN 0.010 nan 8.360 nan 0.000 0.440 169 N N 2.083 120.644 118.700 -0.231 0.000 2.374 169 N HA 0.021 4.762 4.740 0.002 0.000 0.241 169 N C -0.320 175.039 175.510 -0.253 0.000 1.262 169 N CA 0.223 53.001 53.050 -0.453 0.000 0.880 169 N CB 0.451 38.357 38.487 -0.968 0.000 1.105 169 N HN 0.513 nan 8.380 nan 0.000 0.438 170 Q N -0.057 119.613 119.800 -0.218 0.000 2.416 170 Q HA 0.573 4.915 4.340 0.002 0.000 0.279 170 Q C -0.570 175.510 176.000 0.134 0.000 1.101 170 Q CA -0.752 55.048 55.803 -0.005 0.000 0.830 170 Q CB 2.100 30.819 28.738 -0.033 0.000 1.402 170 Q HN 0.755 nan 8.270 nan 0.000 0.445 171 S N -0.139 115.702 115.700 0.235 0.000 2.536 171 S HA 0.744 5.215 4.470 0.002 0.000 0.271 171 S C -0.648 174.094 174.600 0.236 0.000 1.134 171 S CA -0.842 57.546 58.200 0.314 0.000 0.897 171 S CB 1.318 64.749 63.200 0.386 0.000 1.094 171 S HN 0.504 nan 8.310 nan 0.000 0.473 172 M N 3.335 123.076 119.600 0.235 0.000 2.134 172 M HA 0.416 4.897 4.480 0.002 0.000 0.310 172 M C -1.360 175.016 176.300 0.127 0.000 0.966 172 M CA -0.529 54.866 55.300 0.158 0.000 0.922 172 M CB 1.682 34.407 32.600 0.210 0.000 1.537 172 M HN 0.535 nan 8.290 nan 0.000 0.424 173 L N 5.573 126.796 121.223 0.001 0.000 2.272 173 L HA 0.625 4.966 4.340 0.002 0.000 0.289 173 L C -0.591 176.353 176.870 0.123 0.000 1.032 173 L CA -0.476 54.401 54.840 0.061 0.000 0.810 173 L CB 0.829 42.916 42.059 0.047 0.000 1.205 173 L HN 0.709 nan 8.230 nan 0.000 0.422 174 I N 2.892 123.535 120.570 0.122 0.000 2.389 174 I HA 0.343 4.515 4.170 0.002 0.000 0.288 174 I C 0.528 176.697 176.117 0.086 0.000 0.999 174 I CA -0.335 61.035 61.300 0.117 0.000 1.129 174 I CB 2.252 40.316 38.000 0.106 0.000 1.288 174 I HN 0.626 nan 8.210 nan 0.000 0.444 175 T N 1.619 116.216 114.554 0.072 0.000 2.910 175 T HA 0.902 5.254 4.350 0.002 0.000 0.279 175 T C 0.119 174.831 174.700 0.020 0.000 0.989 175 T CA -0.781 61.343 62.100 0.041 0.000 0.968 175 T CB 2.004 70.885 68.868 0.022 0.000 1.135 175 T HN 1.113 nan 8.240 nan 0.000 0.562 176 G N 0.638 109.447 108.800 0.014 0.000 2.957 176 G HA2 0.289 4.250 3.960 0.002 0.000 0.636 176 G HA3 0.289 4.250 3.960 0.002 0.000 0.636 176 G C -0.972 173.940 174.900 0.021 0.000 1.401 176 G CA -0.895 44.209 45.100 0.006 0.000 0.941 176 G HN 0.733 nan 8.290 nan 0.000 0.610 177 E N 1.233 121.452 120.200 0.031 0.000 2.561 177 E HA 0.683 5.034 4.350 0.002 0.000 0.254 177 E C 1.981 178.607 176.600 0.043 0.000 1.213 177 E CA 0.083 56.510 56.400 0.045 0.000 0.995 177 E CB 0.647 30.387 29.700 0.066 0.000 1.233 177 E HN 1.409 nan 8.360 nan 0.000 0.556 178 S N 0.522 116.255 115.700 0.054 0.000 1.803 178 S HA -0.305 4.167 4.470 0.002 0.000 0.531 178 S C 1.413 176.054 174.600 0.067 0.000 0.919 178 S CA 1.851 60.087 58.200 0.060 0.000 3.338 178 S CB -1.570 61.666 63.200 0.061 0.000 2.326 178 S HN 0.731 nan 8.310 nan 0.000 0.574 179 G N 0.384 109.238 108.800 0.091 0.000 3.452 179 G HA2 0.592 4.553 3.960 0.002 0.000 0.258 179 G HA3 0.592 4.553 3.960 0.002 0.000 0.258 179 G C 0.691 175.614 174.900 0.039 0.000 1.305 179 G CA 0.455 45.644 45.100 0.148 0.000 1.514 179 G HN 1.120 nan 8.290 nan 0.000 0.593 180 A N -0.454 122.361 122.820 -0.009 0.000 2.197 180 A HA 0.527 4.849 4.320 0.002 0.000 0.210 180 A C 1.905 179.436 177.584 -0.087 0.000 1.180 180 A CA 0.992 52.983 52.037 -0.077 0.000 0.846 180 A CB -0.022 18.952 19.000 -0.043 0.000 0.884 180 A HN 1.554 nan 8.150 nan 0.000 0.487 181 G N 0.369 109.146 108.800 -0.037 0.000 2.198 181 G HA2 -0.321 3.640 3.960 0.002 0.000 0.257 181 G HA3 -0.321 3.640 3.960 0.002 0.000 0.257 181 G C 0.783 175.674 174.900 -0.016 0.000 1.042 181 G CA 0.912 45.993 45.100 -0.031 0.000 0.791 181 G HN 0.599 nan 8.290 nan 0.000 0.502 182 K N -0.155 120.246 120.400 0.001 0.000 2.152 182 K HA -0.138 4.184 4.320 0.002 0.000 0.206 182 K C 2.787 179.403 176.600 0.027 0.000 1.048 182 K CA 2.278 58.575 56.287 0.018 0.000 0.933 182 K CB -0.245 32.269 32.500 0.025 0.000 0.721 182 K HN 0.614 nan 8.250 nan 0.000 0.447 183 T N -1.916 112.652 114.554 0.023 0.000 2.896 183 T HA -0.051 4.301 4.350 0.002 0.000 0.263 183 T C 1.606 176.312 174.700 0.011 0.000 1.050 183 T CA 0.931 63.046 62.100 0.026 0.000 1.140 183 T CB -0.176 68.711 68.868 0.031 0.000 0.877 183 T HN 0.297 nan 8.240 nan 0.000 0.457 184 E N 1.384 121.579 120.200 -0.009 0.000 2.038 184 E HA -0.158 4.193 4.350 0.002 0.000 0.195 184 E C 2.479 179.062 176.600 -0.028 0.000 1.000 184 E CA 1.126 57.501 56.400 -0.041 0.000 0.803 184 E CB -0.188 29.466 29.700 -0.077 0.000 0.750 184 E HN 0.441 nan 8.360 nan 0.000 0.448 185 N N 0.014 118.716 118.700 0.002 0.000 2.094 185 N HA -0.145 4.597 4.740 0.002 0.000 0.191 185 N C 1.866 177.409 175.510 0.054 0.000 1.023 185 N CA 1.775 54.856 53.050 0.052 0.000 0.857 185 N CB -0.261 38.270 38.487 0.075 0.000 1.013 185 N HN 0.162 nan 8.380 nan 0.000 0.426 186 T N 1.101 115.683 114.554 0.046 0.000 2.867 186 T HA -0.106 4.246 4.350 0.002 0.000 0.268 186 T C 1.907 176.627 174.700 0.033 0.000 1.057 186 T CA 0.954 63.085 62.100 0.052 0.000 1.136 186 T CB 0.066 68.970 68.868 0.059 0.000 0.874 186 T HN 0.324 nan 8.240 nan 0.000 0.466 187 K N 1.267 121.679 120.400 0.019 0.000 2.026 187 K HA -0.086 4.236 4.320 0.002 0.000 0.208 187 K C 2.136 178.744 176.600 0.012 0.000 1.048 187 K CA 1.267 57.558 56.287 0.007 0.000 0.929 187 K CB -0.016 32.477 32.500 -0.011 0.000 0.713 187 K HN 0.205 nan 8.250 nan 0.000 0.439 188 K N 0.143 120.558 120.400 0.025 0.000 2.283 188 K HA -0.051 4.270 4.320 0.002 0.000 0.202 188 K C 1.880 178.556 176.600 0.126 0.000 1.048 188 K CA 0.818 57.169 56.287 0.106 0.000 0.948 188 K CB 0.188 32.763 32.500 0.125 0.000 0.742 188 K HN 0.000 nan 8.250 nan 0.000 0.458 189 V N 1.489 121.409 119.914 0.009 0.000 2.453 189 V HA -0.177 3.944 4.120 0.002 0.000 0.247 189 V C 2.034 177.873 176.094 -0.425 0.000 1.048 189 V CA 1.423 63.596 62.300 -0.211 0.000 1.049 189 V CB -0.287 31.453 31.823 -0.137 0.000 0.672 189 V HN 0.264 nan 8.190 nan 0.000 0.457 190 I N -0.289 120.200 120.570 -0.136 0.000 2.439 190 I HA -0.232 3.939 4.170 0.002 0.000 0.251 190 I C 2.624 178.725 176.117 -0.026 0.000 1.139 190 I CA 1.199 62.484 61.300 -0.026 0.000 1.438 190 I CB -0.379 37.649 38.000 0.047 0.000 1.085 190 I HN 0.378 nan 8.210 nan 0.000 0.427 191 Q N 0.030 119.817 119.800 -0.022 0.000 2.050 191 Q HA -0.266 4.076 4.340 0.002 0.000 0.202 191 Q C 2.197 178.161 176.000 -0.060 0.000 0.980 191 Q CA 1.979 57.775 55.803 -0.013 0.000 0.840 191 Q CB -0.412 28.344 28.738 0.030 0.000 0.898 191 Q HN 0.527 nan 8.270 nan 0.000 0.424 192 Y N 0.276 120.436 120.300 -0.233 0.000 2.181 192 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 192 Y C 1.698 177.454 175.900 -0.240 0.000 1.146 192 Y CA 1.337 59.223 58.100 -0.357 0.000 1.164 192 Y CB -0.028 38.126 38.460 -0.509 0.000 0.982 192 Y HN 0.022 nan 8.280 nan 0.000 0.515 193 F N -0.476 119.531 119.950 0.094 0.000 2.451 193 F HA -0.076 4.452 4.527 0.002 0.000 0.299 193 F C 2.335 178.078 175.800 -0.094 0.000 1.101 193 F CA 0.590 58.604 58.000 0.023 0.000 1.436 193 F CB -1.329 37.804 39.000 0.222 0.000 1.074 193 F HN 0.164 nan 8.300 nan 0.000 0.553 194 A N 0.048 122.886 122.820 0.030 0.000 1.878 194 A HA -0.001 4.320 4.320 0.002 0.000 0.213 194 A C 2.257 179.769 177.584 -0.120 0.000 1.192 194 A CA 0.705 52.718 52.037 -0.041 0.000 0.619 194 A CB -0.906 18.069 19.000 -0.042 0.000 0.837 194 A HN 0.288 nan 8.150 nan 0.000 0.446 195 L N 0.421 121.515 121.223 -0.215 0.000 2.127 195 L HA -0.178 4.163 4.340 0.002 0.000 0.211 195 L C 2.557 179.254 176.870 -0.288 0.000 1.089 195 L CA 1.725 56.405 54.840 -0.267 0.000 0.757 195 L CB -0.583 41.247 42.059 -0.382 0.000 0.899 195 L HN 0.493 nan 8.230 nan 0.000 0.434 196 V N -4.033 115.654 119.914 -0.378 0.000 2.878 196 V HA 0.104 4.225 4.120 0.002 0.000 0.250 196 V C 2.504 178.507 176.094 -0.151 0.000 1.075 196 V CA 1.021 63.138 62.300 -0.306 0.000 1.096 196 V CB -0.557 31.002 31.823 -0.439 0.000 0.724 196 V HN 0.236 nan 8.190 nan 0.000 0.467 197 A N 1.008 123.761 122.820 -0.111 0.000 1.902 197 A HA 0.215 4.536 4.320 0.002 0.000 0.217 197 A C 2.225 179.843 177.584 0.056 0.000 1.181 197 A CA 2.050 54.120 52.037 0.054 0.000 0.623 197 A CB -0.734 18.322 19.000 0.094 0.000 0.818 197 A HN 1.059 nan 8.150 nan 0.000 0.443 198 A N -1.504 121.316 122.820 -0.001 0.000 2.387 198 A HA 0.426 4.747 4.320 0.002 0.000 0.234 198 A C 1.882 179.460 177.584 -0.010 0.000 1.253 198 A CA 0.968 53.006 52.037 0.002 0.000 0.894 198 A CB -0.345 18.646 19.000 -0.015 0.000 0.963 198 A HN 0.405 nan 8.150 nan 0.000 0.508 199 S N -0.030 115.657 115.700 -0.022 0.000 2.336 199 S HA -0.046 4.426 4.470 0.002 0.000 0.216 199 S C 1.828 176.431 174.600 0.005 0.000 1.032 199 S CA 1.043 59.225 58.200 -0.029 0.000 0.973 199 S CB -0.542 62.617 63.200 -0.068 0.000 0.888 199 S HN 0.519 nan 8.310 nan 0.000 0.455 200 L N 0.711 121.957 121.223 0.037 0.000 2.352 200 L HA -0.316 4.025 4.340 0.002 0.000 0.247 200 L C 1.033 177.920 176.870 0.028 0.000 1.123 200 L CA 1.767 56.636 54.840 0.048 0.000 0.824 200 L CB -0.857 41.244 42.059 0.070 0.000 0.987 200 L HN 0.562 nan 8.230 nan 0.000 0.426 201 A N -0.659 122.176 122.820 0.025 0.000 3.024 201 A HA 0.582 4.904 4.320 0.002 0.000 0.251 201 A C -0.175 177.418 177.584 0.014 0.000 1.267 201 A CA 0.234 52.281 52.037 0.016 0.000 1.050 201 A CB 0.057 19.066 19.000 0.016 0.000 1.400 201 A HN 0.743 nan 8.150 nan 0.000 0.756 218 G N 1.106 109.887 108.800 -0.032 0.000 2.697 218 G HA2 -0.120 3.842 3.960 0.002 0.000 0.684 218 G HA3 -0.120 3.842 3.960 0.002 0.000 0.684 218 G C -0.357 174.523 174.900 -0.033 0.000 1.274 218 G CA -1.001 44.079 45.100 -0.033 0.000 0.806 218 G HN 0.164 nan 8.290 nan 0.000 0.644 219 T N 2.004 116.540 114.554 -0.029 0.000 2.788 219 T HA 0.459 4.811 4.350 0.002 0.000 0.280 219 T C 1.796 176.477 174.700 -0.031 0.000 0.984 219 T CA 0.119 62.201 62.100 -0.029 0.000 0.972 219 T CB 1.385 70.238 68.868 -0.024 0.000 1.039 219 T HN 0.960 nan 8.240 nan 0.000 0.530 220 L N 0.928 122.132 121.223 -0.031 0.000 2.027 220 L HA -0.015 4.326 4.340 0.002 0.000 0.206 220 L C 2.247 179.104 176.870 -0.022 0.000 1.074 220 L CA 1.869 56.690 54.840 -0.031 0.000 0.745 220 L CB -1.151 40.889 42.059 -0.032 0.000 0.898 220 L HN 0.674 nan 8.230 nan 0.000 0.433 221 E N -0.432 119.759 120.200 -0.015 0.000 2.209 221 E HA -0.185 4.167 4.350 0.002 0.000 0.196 221 E C 1.546 178.137 176.600 -0.014 0.000 0.993 221 E CA 1.401 57.795 56.400 -0.009 0.000 0.819 221 E CB -0.230 29.465 29.700 -0.007 0.000 0.745 221 E HN 0.553 nan 8.360 nan 0.000 0.477 222 D N -0.257 120.131 120.400 -0.020 0.000 2.388 222 D HA 0.003 4.644 4.640 0.002 0.000 0.208 222 D C 1.561 177.842 176.300 -0.032 0.000 1.035 222 D CA 0.269 54.255 54.000 -0.024 0.000 0.875 222 D CB 0.053 40.839 40.800 -0.023 0.000 0.984 222 D HN 0.204 nan 8.370 nan 0.000 0.508 223 Q N 0.237 120.015 119.800 -0.037 0.000 2.224 223 Q HA 0.010 4.351 4.340 0.002 0.000 0.203 223 Q C 2.063 178.033 176.000 -0.050 0.000 0.970 223 Q CA 0.777 56.551 55.803 -0.049 0.000 0.865 223 Q CB 0.370 29.077 28.738 -0.051 0.000 0.922 223 Q HN 0.324 nan 8.270 nan 0.000 0.445 224 I N -0.952 119.597 120.570 -0.036 0.000 2.628 224 I HA -0.142 4.029 4.170 0.002 0.000 0.255 224 I C 1.888 177.993 176.117 -0.021 0.000 1.119 224 I CA 0.343 61.625 61.300 -0.030 0.000 1.448 224 I CB 0.143 38.133 38.000 -0.017 0.000 1.133 224 I HN -0.028 nan 8.210 nan 0.000 0.438 225 V N 0.684 120.589 119.914 -0.014 0.000 2.594 225 V HA -0.283 3.838 4.120 0.002 0.000 0.253 225 V C 2.346 178.431 176.094 -0.016 0.000 1.069 225 V CA 1.597 63.893 62.300 -0.006 0.000 1.082 225 V CB -0.704 31.116 31.823 -0.005 0.000 0.680 225 V HN 0.464 nan 8.190 nan 0.000 0.469 226 Q N -0.947 118.834 119.800 -0.031 0.000 2.152 226 Q HA -0.250 4.092 4.340 0.002 0.000 0.206 226 Q C 2.382 178.347 176.000 -0.058 0.000 0.985 226 Q CA 2.250 58.027 55.803 -0.044 0.000 0.863 226 Q CB -0.324 28.378 28.738 -0.060 0.000 0.904 226 Q HN 0.773 nan 8.270 nan 0.000 0.422 227 C N 0.393 119.654 119.300 -0.064 0.000 2.476 227 C HA -0.043 4.418 4.460 0.002 0.000 0.278 227 C C 2.057 177.009 174.990 -0.064 0.000 1.274 227 C CA 0.163 59.127 59.018 -0.091 0.000 1.713 227 C CB -1.260 26.424 27.740 -0.093 0.000 2.039 227 C HN 0.544 nan 8.230 nan 0.000 0.484 228 N N 1.846 120.540 118.700 -0.011 0.000 2.200 228 N HA -0.175 4.566 4.740 0.002 0.000 0.199 228 N C -0.810 174.723 175.510 0.039 0.000 0.987 228 N CA 2.061 55.134 53.050 0.038 0.000 0.908 228 N CB -1.745 36.772 38.487 0.051 0.000 1.035 228 N HN 0.429 nan 8.380 nan 0.000 0.481 229 P HA -0.039 nan 4.420 nan 0.000 0.215 229 P C 1.806 179.104 177.300 -0.005 0.000 1.157 229 P CA 0.637 63.744 63.100 0.013 0.000 0.859 229 P CB 0.147 31.847 31.700 0.001 0.000 0.786 230 V N -0.402 119.449 119.914 -0.105 0.000 2.270 230 V HA -0.209 3.912 4.120 0.002 0.000 0.245 230 V C 2.455 178.512 176.094 -0.062 0.000 1.043 230 V CA 1.604 63.784 62.300 -0.200 0.000 1.014 230 V CB -1.257 30.240 31.823 -0.545 0.000 0.645 230 V HN 0.046 nan 8.190 nan 0.000 0.447 231 L N -0.307 120.857 121.223 -0.098 0.000 2.081 231 L HA -0.259 4.083 4.340 0.002 0.000 0.212 231 L C 2.548 179.535 176.870 0.195 0.000 1.080 231 L CA 1.840 56.649 54.840 -0.053 0.000 0.754 231 L CB -0.574 41.471 42.059 -0.023 0.000 0.893 231 L HN 0.445 nan 8.230 nan 0.000 0.433 232 E N -0.381 119.953 120.200 0.224 0.000 2.208 232 E HA -0.147 4.205 4.350 0.002 0.000 0.193 232 E C 2.258 179.054 176.600 0.326 0.000 0.988 232 E CA 0.829 57.422 56.400 0.321 0.000 0.828 232 E CB -0.049 29.807 29.700 0.261 0.000 0.763 232 E HN 0.496 nan 8.360 nan 0.000 0.478 233 A N 0.313 123.268 122.820 0.225 0.000 1.930 233 A HA -0.160 4.161 4.320 0.002 0.000 0.217 233 A C 1.432 179.040 177.584 0.040 0.000 1.175 233 A CA 1.185 53.305 52.037 0.138 0.000 0.627 233 A CB -0.408 18.611 19.000 0.031 0.000 0.815 233 A HN 0.270 nan 8.150 nan 0.000 0.443 234 Y N -1.391 118.981 120.300 0.120 0.000 2.478 234 Y HA 0.299 4.850 4.550 0.002 0.000 0.261 234 Y C 2.176 178.019 175.900 -0.095 0.000 1.127 234 Y CA 0.433 58.573 58.100 0.067 0.000 1.288 234 Y CB 0.392 38.854 38.460 0.004 0.000 1.084 234 Y HN 0.333 nan 8.280 nan 0.000 0.530 235 G N -1.367 107.606 108.800 0.288 0.000 3.274 235 G HA2 0.102 4.063 3.960 0.002 0.000 0.250 235 G HA3 0.102 4.063 3.960 0.002 0.000 0.250 235 G C -0.080 175.214 174.900 0.657 0.000 1.024 235 G CA -0.129 45.155 45.100 0.307 0.000 0.840 235 G HN 0.048 nan 8.290 nan 0.000 0.522 236 N N 0.159 119.183 118.700 0.539 0.000 2.471 236 N HA 0.858 5.600 4.740 0.002 0.000 0.288 236 N C -0.256 175.220 175.510 -0.057 0.000 1.220 236 N CA 0.185 53.423 53.050 0.314 0.000 0.893 236 N CB 2.133 40.836 38.487 0.360 0.000 1.256 236 N HN 0.297 nan 8.380 nan 0.000 0.534 237 A N -0.372 122.238 122.820 -0.351 0.000 2.515 237 A HA 0.428 4.749 4.320 0.002 0.000 0.292 237 A C -1.620 175.786 177.584 -0.297 0.000 1.065 237 A CA -0.785 50.863 52.037 -0.649 0.000 0.641 237 A CB 0.780 19.512 19.000 -0.448 0.000 1.306 237 A HN 0.522 nan 8.150 nan 0.000 0.441 238 K N 1.123 121.407 120.400 -0.192 0.000 2.248 238 K HA 0.536 4.858 4.320 0.002 0.000 0.281 238 K C -0.555 175.984 176.600 -0.101 0.000 1.054 238 K CA 0.496 56.742 56.287 -0.067 0.000 0.903 238 K CB 0.650 33.125 32.500 -0.042 0.000 1.077 238 K HN 0.940 nan 8.250 nan 0.000 0.474 239 T N 1.455 115.963 114.554 -0.076 0.000 2.815 239 T HA 0.151 4.502 4.350 0.002 0.000 0.289 239 T C 0.919 175.488 174.700 -0.219 0.000 1.000 239 T CA -0.388 61.656 62.100 -0.093 0.000 0.958 239 T CB 1.337 70.219 68.868 0.023 0.000 0.944 239 T HN 0.738 nan 8.240 nan 0.000 0.442 240 T N 3.476 117.851 114.554 -0.298 0.000 3.440 240 T HA -0.364 3.988 4.350 0.002 0.000 0.213 240 T C 1.414 175.877 174.700 -0.394 0.000 1.348 240 T CA 2.495 64.342 62.100 -0.421 0.000 1.125 240 T CB -0.635 67.787 68.868 -0.743 0.000 0.966 240 T HN 0.802 nan 8.240 nan 0.000 0.563 241 R N 1.940 122.154 120.500 -0.477 0.000 2.468 241 R HA 0.380 4.722 4.340 0.002 0.000 0.280 241 R C 0.369 176.622 176.300 -0.078 0.000 0.963 241 R CA -0.067 55.892 56.100 -0.235 0.000 1.083 241 R CB 0.273 30.467 30.300 -0.177 0.000 1.200 241 R HN 0.520 nan 8.270 nan 0.000 0.541 242 N N 0.180 118.842 118.700 -0.064 0.000 2.503 242 N HA 0.109 4.850 4.740 0.002 0.000 0.287 242 N C -0.167 175.347 175.510 0.006 0.000 1.096 242 N CA -0.394 52.657 53.050 0.002 0.000 0.936 242 N CB 1.089 39.606 38.487 0.051 0.000 1.570 242 N HN -0.121 nan 8.380 nan 0.000 0.504 243 N N 1.791 120.505 118.700 0.023 0.000 2.381 243 N HA -0.096 4.645 4.740 0.002 0.000 0.182 243 N C -0.409 175.182 175.510 0.136 0.000 1.025 243 N CA 1.010 54.090 53.050 0.049 0.000 0.888 243 N CB -0.131 38.374 38.487 0.031 0.000 0.965 243 N HN 0.609 nan 8.380 nan 0.000 0.438 244 N N 0.145 118.928 118.700 0.138 0.000 2.640 244 N HA 0.051 4.792 4.740 0.002 0.000 0.262 244 N C -1.746 173.854 175.510 0.149 0.000 1.174 244 N CA 0.012 53.203 53.050 0.236 0.000 0.791 244 N CB 0.737 39.353 38.487 0.214 0.000 1.279 244 N HN -0.180 nan 8.380 nan 0.000 0.535 245 S N 1.746 117.508 115.700 0.104 0.000 2.474 245 S HA 0.309 4.781 4.470 0.002 0.000 0.321 245 S C -0.232 174.423 174.600 0.092 0.000 1.080 245 S CA -0.360 57.887 58.200 0.078 0.000 1.106 245 S CB 1.062 64.298 63.200 0.060 0.000 0.984 245 S HN 0.383 nan 8.310 nan 0.000 0.464 246 S N 4.583 120.326 115.700 0.071 0.000 2.481 246 S HA 0.187 4.658 4.470 0.002 0.000 0.282 246 S C 0.627 175.253 174.600 0.044 0.000 1.243 246 S CA -0.419 57.816 58.200 0.059 0.000 1.078 246 S CB 0.076 63.155 63.200 -0.203 0.000 0.916 246 S HN 0.568 nan 8.310 nan 0.000 0.495 247 R N 3.311 123.961 120.500 0.250 0.000 3.351 247 R HA 0.281 4.623 4.340 0.002 0.000 0.296 247 R C -0.401 176.059 176.300 0.266 0.000 1.427 247 R CA -0.092 56.139 56.100 0.218 0.000 1.257 247 R CB -1.240 29.218 30.300 0.263 0.000 1.378 247 R HN 0.657 nan 8.270 nan 0.000 0.610 248 F N -3.844 116.135 119.950 0.050 0.000 2.817 248 F HA 0.747 5.276 4.527 0.002 0.000 0.317 248 F C -0.627 175.219 175.800 0.077 0.000 1.168 248 F CA -1.599 56.410 58.000 0.015 0.000 0.911 248 F CB 0.859 39.821 39.000 -0.063 0.000 1.337 248 F HN -0.087 nan 8.300 nan 0.000 0.464 249 G N 1.053 109.878 108.800 0.041 0.000 2.461 249 G HA2 0.615 4.576 3.960 0.002 0.000 0.323 249 G HA3 0.615 4.576 3.960 0.002 0.000 0.323 249 G C -2.082 172.968 174.900 0.250 0.000 1.229 249 G CA -1.145 43.930 45.100 -0.042 0.000 0.941 249 G HN 0.962 nan 8.290 nan 0.000 0.477 250 K N 0.572 121.065 120.400 0.155 0.000 2.378 250 K HA 0.676 4.998 4.320 0.002 0.000 0.252 250 K C -1.935 174.895 176.600 0.383 0.000 0.931 250 K CA -0.984 55.535 56.287 0.386 0.000 0.794 250 K CB 2.455 35.257 32.500 0.504 0.000 1.181 250 K HN 0.207 nan 8.250 nan 0.000 0.425 251 F N 4.480 124.552 119.950 0.204 0.000 2.347 251 F HA 0.441 4.970 4.527 0.002 0.000 0.366 251 F C -0.813 175.030 175.800 0.072 0.000 1.107 251 F CA -1.783 56.304 58.000 0.146 0.000 1.058 251 F CB 0.675 39.813 39.000 0.229 0.000 1.236 251 F HN 0.502 nan 8.300 nan 0.000 0.456 252 I N 7.088 127.635 120.570 -0.038 0.000 2.278 252 I HA 0.259 4.430 4.170 0.002 0.000 0.296 252 I C 0.133 176.046 176.117 -0.339 0.000 1.121 252 I CA -0.190 61.034 61.300 -0.127 0.000 1.267 252 I CB 0.116 38.105 38.000 -0.019 0.000 1.447 252 I HN 0.341 nan 8.210 nan 0.000 0.509 253 R N 6.916 127.137 120.500 -0.464 0.000 2.196 253 R HA 0.476 4.818 4.340 0.002 0.000 0.340 253 R C -0.543 175.492 176.300 -0.443 0.000 1.043 253 R CA -0.442 55.275 56.100 -0.639 0.000 0.883 253 R CB 0.950 30.631 30.300 -1.032 0.000 1.078 253 R HN 0.556 nan 8.270 nan 0.000 0.462 254 I N 4.546 124.963 120.570 -0.256 0.000 2.304 254 I HA 0.139 4.311 4.170 0.002 0.000 0.291 254 I C 0.676 176.664 176.117 -0.215 0.000 1.018 254 I CA -0.414 60.779 61.300 -0.177 0.000 1.260 254 I CB 0.477 38.460 38.000 -0.029 0.000 1.390 254 I HN 0.405 nan 8.210 nan 0.000 0.475 255 H N 6.104 125.116 119.070 -0.096 0.000 2.505 255 H HA 0.483 5.041 4.556 0.002 0.000 0.355 255 H C -0.905 174.287 175.328 -0.227 0.000 1.179 255 H CA 0.103 56.168 56.048 0.029 0.000 1.343 255 H CB 1.485 31.264 29.762 0.029 0.000 1.501 255 H HN 0.309 nan 8.280 nan 0.000 0.569 256 F N -1.324 118.775 119.950 0.248 0.000 2.626 256 F HA 0.426 4.955 4.527 0.002 0.000 0.311 256 F C 0.831 176.694 175.800 0.106 0.000 1.088 256 F CA -0.752 57.357 58.000 0.182 0.000 0.949 256 F CB 1.539 40.684 39.000 0.242 0.000 1.322 256 F HN 0.570 nan 8.300 nan 0.000 0.461 257 G N -0.334 108.635 108.800 0.282 0.000 2.537 257 G HA2 0.398 4.360 3.960 0.002 0.000 0.297 257 G HA3 0.398 4.360 3.960 0.002 0.000 0.297 257 G C 0.400 175.372 174.900 0.120 0.000 1.310 257 G CA -0.461 44.707 45.100 0.112 0.000 1.027 257 G HN 0.595 nan 8.290 nan 0.000 0.505 258 T N 0.203 114.780 114.554 0.038 0.000 3.051 258 T HA -0.039 4.313 4.350 0.002 0.000 0.269 258 T C 1.804 176.591 174.700 0.145 0.000 1.127 258 T CA 0.979 63.133 62.100 0.089 0.000 1.107 258 T CB 0.022 68.910 68.868 0.033 0.000 0.898 258 T HN 0.308 nan 8.240 nan 0.000 0.517 259 Q N -0.355 119.528 119.800 0.138 0.000 2.282 259 Q HA 0.246 4.588 4.340 0.002 0.000 0.206 259 Q C 1.562 177.662 176.000 0.167 0.000 0.878 259 Q CA 0.323 56.201 55.803 0.125 0.000 0.944 259 Q CB 0.838 29.636 28.738 0.100 0.000 1.100 259 Q HN 0.622 nan 8.270 nan 0.000 0.509 260 G N 2.122 111.070 108.800 0.247 0.000 2.157 260 G HA2 -0.244 3.718 3.960 0.002 0.000 0.239 260 G HA3 -0.244 3.718 3.960 0.002 0.000 0.239 260 G C 0.058 175.306 174.900 0.579 0.000 0.982 260 G CA 0.233 45.542 45.100 0.349 0.000 0.650 260 G HN 0.332 nan 8.290 nan 0.000 0.527 261 K N 0.896 121.542 120.400 0.410 0.000 2.322 261 K HA 0.507 4.828 4.320 0.002 0.000 0.283 261 K C 0.367 177.128 176.600 0.267 0.000 1.042 261 K CA -0.746 55.718 56.287 0.295 0.000 0.958 261 K CB 1.521 34.118 32.500 0.162 0.000 0.984 261 K HN 0.234 nan 8.250 nan 0.000 0.473 262 I N 3.091 123.703 120.570 0.070 0.000 2.671 262 I HA -0.121 4.051 4.170 0.002 0.000 0.285 262 I C 1.009 177.035 176.117 -0.151 0.000 1.148 262 I CA 0.260 61.388 61.300 -0.286 0.000 1.386 262 I CB 0.729 38.567 38.000 -0.271 0.000 1.406 262 I HN 0.893 nan 8.210 nan 0.000 0.540 263 A N 5.254 127.984 122.820 -0.151 0.000 2.348 263 A HA 0.613 4.935 4.320 0.002 0.000 0.224 263 A C 0.815 178.366 177.584 -0.055 0.000 1.227 263 A CA 0.527 52.533 52.037 -0.052 0.000 0.885 263 A CB 0.209 19.216 19.000 0.011 0.000 0.933 263 A HN 0.866 nan 8.150 nan 0.000 0.506 264 G N -2.360 106.398 108.800 -0.071 0.000 2.345 264 G HA2 0.617 4.579 3.960 0.002 0.000 0.285 264 G HA3 0.617 4.579 3.960 0.002 0.000 0.285 264 G C -1.052 173.865 174.900 0.029 0.000 1.297 264 G CA 0.027 45.109 45.100 -0.029 0.000 0.875 264 G HN 1.571 nan 8.290 nan 0.000 0.506 265 A N -0.438 122.423 122.820 0.069 0.000 2.586 265 A HA 0.897 5.218 4.320 0.002 0.000 0.291 265 A C -1.851 175.762 177.584 0.048 0.000 1.062 265 A CA 0.527 52.608 52.037 0.073 0.000 0.666 265 A CB 1.921 20.907 19.000 -0.024 0.000 1.281 265 A HN 2.326 nan 8.150 nan 0.000 0.421 266 D N -0.902 119.500 120.400 0.003 0.000 2.798 266 D HA 0.456 5.098 4.640 0.002 0.000 0.265 266 D C -1.453 174.805 176.300 -0.069 0.000 1.223 266 D CA -0.239 53.741 54.000 -0.033 0.000 0.743 266 D CB 0.346 41.138 40.800 -0.014 0.000 1.276 266 D HN 0.607 nan 8.370 nan 0.000 0.421 267 I N 0.126 120.656 120.570 -0.067 0.000 2.498 267 I HA 0.314 4.485 4.170 0.002 0.000 0.290 267 I C -0.414 175.677 176.117 -0.044 0.000 1.032 267 I CA -0.732 60.543 61.300 -0.042 0.000 1.073 267 I CB 1.971 39.954 38.000 -0.028 0.000 1.251 267 I HN 0.345 nan 8.210 nan 0.000 0.426 268 E N 4.199 124.404 120.200 0.008 0.000 2.199 268 E HA 0.606 4.958 4.350 0.002 0.000 0.269 268 E C -0.999 175.555 176.600 -0.077 0.000 0.899 268 E CA -0.788 55.561 56.400 -0.085 0.000 0.772 268 E CB 2.115 31.753 29.700 -0.102 0.000 1.155 268 E HN 0.550 nan 8.360 nan 0.000 0.408 269 T N 0.132 114.582 114.554 -0.173 0.000 2.940 269 T HA 0.602 4.954 4.350 0.002 0.000 0.288 269 T C -0.865 173.702 174.700 -0.222 0.000 1.033 269 T CA -0.561 61.567 62.100 0.046 0.000 1.033 269 T CB 0.657 69.691 68.868 0.277 0.000 1.079 269 T HN 0.484 nan 8.240 nan 0.000 0.496 270 Y N -0.161 120.269 120.300 0.216 0.000 2.588 270 Y HA 0.574 5.125 4.550 0.002 0.000 0.343 270 Y C 0.097 176.034 175.900 0.063 0.000 1.065 270 Y CA -2.026 56.127 58.100 0.088 0.000 1.038 270 Y CB 1.427 39.889 38.460 0.003 0.000 1.297 270 Y HN 0.763 nan 8.280 nan 0.000 0.467 271 L N 1.172 122.478 121.223 0.139 0.000 3.677 271 L HA -0.236 4.106 4.340 0.002 0.000 0.464 271 L C -0.699 176.177 176.870 0.011 0.000 1.278 271 L CA 0.080 54.903 54.840 -0.029 0.000 0.806 271 L CB -1.193 40.773 42.059 -0.155 0.000 1.610 271 L HN 0.431 nan 8.230 nan 0.000 0.867 272 L N 1.133 122.359 121.223 0.005 0.000 2.410 272 L HA 0.155 4.497 4.340 0.002 0.000 0.273 272 L C 1.227 178.109 176.870 0.020 0.000 1.152 272 L CA 0.508 55.318 54.840 -0.050 0.000 0.855 272 L CB 0.909 42.783 42.059 -0.308 0.000 1.129 272 L HN 0.241 nan 8.230 nan 0.000 0.463 273 E N 4.368 124.632 120.200 0.107 0.000 1.999 273 E HA -0.013 4.338 4.350 0.002 0.000 0.296 273 E C 0.630 177.340 176.600 0.184 0.000 1.187 273 E CA -0.016 56.459 56.400 0.126 0.000 1.229 273 E CB 0.148 29.918 29.700 0.116 0.000 1.131 273 E HN 0.695 nan 8.360 nan 0.000 0.478 274 K N 0.492 120.975 120.400 0.138 0.000 2.052 274 K HA -0.231 4.090 4.320 0.002 0.000 0.215 274 K C 1.937 178.599 176.600 0.103 0.000 1.053 274 K CA 1.822 58.195 56.287 0.142 0.000 0.934 274 K CB -0.204 32.361 32.500 0.108 0.000 0.717 274 K HN 0.266 nan 8.250 nan 0.000 0.450 275 S N 0.817 116.572 115.700 0.091 0.000 2.414 275 S HA -0.287 4.185 4.470 0.002 0.000 0.241 275 S C 1.858 176.498 174.600 0.066 0.000 1.079 275 S CA 1.920 60.171 58.200 0.085 0.000 1.087 275 S CB -0.406 62.865 63.200 0.118 0.000 0.927 275 S HN 0.355 nan 8.310 nan 0.000 0.456 276 R N 0.772 121.289 120.500 0.029 0.000 2.159 276 R HA -0.080 4.261 4.340 0.002 0.000 0.237 276 R C 1.928 178.144 176.300 -0.139 0.000 1.131 276 R CA 1.161 57.204 56.100 -0.095 0.000 0.982 276 R CB -0.370 29.725 30.300 -0.342 0.000 0.868 276 R HN 0.325 nan 8.270 nan 0.000 0.453 277 V N 0.073 119.930 119.914 -0.096 0.000 2.469 277 V HA -0.213 3.909 4.120 0.002 0.000 0.251 277 V C 1.766 177.588 176.094 -0.452 0.000 1.064 277 V CA 2.242 64.400 62.300 -0.237 0.000 1.066 277 V CB -0.394 31.299 31.823 -0.216 0.000 0.667 277 V HN 0.674 nan 8.190 nan 0.000 0.461 278 T N -4.621 109.706 114.554 -0.378 0.000 3.231 278 T HA 0.296 4.647 4.350 0.002 0.000 0.292 278 T C -0.460 174.234 174.700 -0.009 0.000 1.001 278 T CA -0.274 61.506 62.100 -0.534 0.000 0.920 278 T CB 0.012 68.465 68.868 -0.692 0.000 1.140 278 T HN 0.340 nan 8.240 nan 0.000 0.525 279 Y N 1.232 121.470 120.300 -0.103 0.000 2.376 279 Y HA 0.569 5.121 4.550 0.002 0.000 0.321 279 Y C -2.126 173.770 175.900 -0.008 0.000 1.189 279 Y CA -0.844 57.254 58.100 -0.004 0.000 1.069 279 Y CB 1.584 40.063 38.460 0.032 0.000 1.292 279 Y HN 0.053 nan 8.280 nan 0.000 0.430 280 Q N 4.214 123.509 119.800 -0.841 0.000 2.375 280 Q HA 0.431 4.772 4.340 0.002 0.000 0.271 280 Q C -1.548 173.932 176.000 -0.867 0.000 1.074 280 Q CA -0.978 54.439 55.803 -0.643 0.000 0.808 280 Q CB 2.342 30.908 28.738 -0.287 0.000 1.327 280 Q HN 0.614 nan 8.270 nan 0.000 0.441 281 Q N 0.707 120.228 119.800 -0.465 0.000 2.325 281 Q HA 0.643 4.984 4.340 0.002 0.000 0.262 281 Q C -0.163 175.778 176.000 -0.099 0.000 0.968 281 Q CA -0.410 55.277 55.803 -0.193 0.000 0.877 281 Q CB 1.837 30.673 28.738 0.163 0.000 1.253 281 Q HN 0.618 nan 8.270 nan 0.000 0.448 282 S N 2.343 117.988 115.700 -0.092 0.000 4.158 282 S HA -0.370 4.101 4.470 0.002 0.000 0.538 282 S C 0.814 175.360 174.600 -0.089 0.000 1.651 282 S CA 2.247 60.400 58.200 -0.079 0.000 4.023 282 S CB -1.431 61.727 63.200 -0.071 0.000 1.272 282 S HN 1.175 nan 8.310 nan 0.000 0.455 283 A N 2.289 125.055 122.820 -0.091 0.000 3.105 283 A HA 0.555 4.877 4.320 0.002 0.000 0.272 283 A C 0.296 177.806 177.584 -0.123 0.000 1.466 283 A CA 0.083 52.057 52.037 -0.105 0.000 1.101 283 A CB -0.209 18.727 19.000 -0.107 0.000 1.065 283 A HN 0.509 nan 8.150 nan 0.000 0.643 284 E N -0.274 119.850 120.200 -0.126 0.000 2.446 284 E HA 0.706 5.058 4.350 0.002 0.000 0.269 284 E C -0.643 175.866 176.600 -0.152 0.000 0.977 284 E CA -1.013 55.305 56.400 -0.137 0.000 0.854 284 E CB 1.963 31.592 29.700 -0.118 0.000 1.545 284 E HN 0.607 nan 8.360 nan 0.000 0.448 285 R N 0.085 120.491 120.500 -0.157 0.000 2.712 285 R HA 0.369 4.710 4.340 0.002 0.000 0.272 285 R C -0.552 175.712 176.300 -0.061 0.000 1.032 285 R CA -0.880 55.152 56.100 -0.114 0.000 0.874 285 R CB 0.501 30.621 30.300 -0.299 0.000 1.256 285 R HN 0.390 nan 8.270 nan 0.000 0.468 286 N N 0.046 118.818 118.700 0.120 0.000 2.221 286 N HA -0.008 4.733 4.740 0.002 0.000 0.239 286 N C -0.561 174.977 175.510 0.046 0.000 1.328 286 N CA 0.289 53.344 53.050 0.010 0.000 0.878 286 N CB 0.071 38.564 38.487 0.010 0.000 1.083 286 N HN 0.391 nan 8.380 nan 0.000 0.471 287 Y N 0.657 121.087 120.300 0.216 0.000 2.511 287 Y HA -0.043 4.508 4.550 0.002 0.000 0.347 287 Y C 2.097 178.126 175.900 0.215 0.000 1.257 287 Y CA 0.157 58.321 58.100 0.107 0.000 1.469 287 Y CB 0.203 38.705 38.460 0.070 0.000 1.353 287 Y HN 0.500 nan 8.280 nan 0.000 0.617 288 H N 1.293 120.561 119.070 0.331 0.000 2.319 288 H HA -0.224 4.333 4.556 0.002 0.000 0.299 288 H C 2.406 177.822 175.328 0.145 0.000 1.092 288 H CA 2.084 58.287 56.048 0.258 0.000 1.302 288 H CB -0.301 29.557 29.762 0.159 0.000 1.373 288 H HN 0.792 nan 8.280 nan 0.000 0.497 289 I N 0.546 121.136 120.570 0.032 0.000 2.181 289 I HA -0.365 3.807 4.170 0.002 0.000 0.247 289 I C 1.895 177.843 176.117 -0.282 0.000 1.081 289 I CA 1.517 62.651 61.300 -0.277 0.000 1.340 289 I CB -0.281 37.248 38.000 -0.784 0.000 1.036 289 I HN -0.019 nan 8.210 nan 0.000 0.417 290 F N 0.522 120.350 119.950 -0.204 0.000 2.120 290 F HA -0.252 4.276 4.527 0.002 0.000 0.300 290 F C 2.104 177.623 175.800 -0.469 0.000 1.095 290 F CA 1.762 59.518 58.000 -0.406 0.000 1.249 290 F CB -1.081 37.559 39.000 -0.601 0.000 0.995 290 F HN 0.156 nan 8.300 nan 0.000 0.480 291 Y N -1.019 119.378 120.300 0.161 0.000 2.546 291 Y HA -0.007 4.545 4.550 0.002 0.000 0.287 291 Y C 2.180 178.115 175.900 0.057 0.000 1.158 291 Y CA 0.208 58.369 58.100 0.101 0.000 1.307 291 Y CB -0.628 37.898 38.460 0.109 0.000 1.036 291 Y HN 0.145 nan 8.280 nan 0.000 0.532 292 Q N -0.056 119.808 119.800 0.107 0.000 2.084 292 Q HA -0.044 4.298 4.340 0.002 0.000 0.194 292 Q C 2.150 178.149 176.000 -0.001 0.000 0.969 292 Q CA 0.760 56.593 55.803 0.050 0.000 0.829 292 Q CB -0.147 28.588 28.738 -0.005 0.000 0.904 292 Q HN 0.463 nan 8.270 nan 0.000 0.464 293 L N 0.819 121.976 121.223 -0.110 0.000 2.043 293 L HA -0.200 4.142 4.340 0.002 0.000 0.212 293 L C 1.619 178.480 176.870 -0.016 0.000 1.075 293 L CA 1.023 55.784 54.840 -0.131 0.000 0.752 293 L CB -0.313 41.619 42.059 -0.212 0.000 0.891 293 L HN 0.271 nan 8.230 nan 0.000 0.432 294 L N -0.003 121.217 121.223 -0.005 0.000 2.779 294 L HA 0.097 4.439 4.340 0.002 0.000 0.239 294 L C 0.818 177.738 176.870 0.082 0.000 1.245 294 L CA -0.368 54.494 54.840 0.037 0.000 1.064 294 L CB -0.735 41.333 42.059 0.015 0.000 1.350 294 L HN 0.247 nan 8.230 nan 0.000 0.455 295 S N -0.534 115.221 115.700 0.092 0.000 2.704 295 S HA 0.616 5.087 4.470 0.002 0.000 0.305 295 S C -2.612 172.048 174.600 0.099 0.000 1.107 295 S CA -1.469 56.791 58.200 0.099 0.000 0.993 295 S CB 1.971 65.235 63.200 0.106 0.000 1.110 295 S HN -0.033 nan 8.310 nan 0.000 0.534 296 P HA 0.413 nan 4.420 nan 0.000 0.241 296 P C -0.222 177.085 177.300 0.011 0.000 1.780 296 P CA -0.289 62.839 63.100 0.046 0.000 1.111 296 P CB 0.456 32.174 31.700 0.029 0.000 1.852 297 A N 1.740 124.573 122.820 0.022 0.000 1.999 297 A HA 0.363 4.684 4.320 0.002 0.000 0.190 297 A C 0.202 177.457 177.584 -0.548 0.000 1.737 297 A CA 0.117 52.045 52.037 -0.181 0.000 1.257 297 A CB 0.203 19.244 19.000 0.068 0.000 1.401 297 A HN 0.257 nan 8.150 nan 0.000 0.430 298 F N -0.413 119.576 119.950 0.064 0.000 2.566 298 F HA 0.358 4.886 4.527 0.002 0.000 0.352 298 F C -2.204 173.640 175.800 0.074 0.000 1.534 298 F CA -1.752 56.295 58.000 0.078 0.000 1.097 298 F CB 0.967 40.037 39.000 0.117 0.000 1.488 298 F HN -0.026 nan 8.300 nan 0.000 0.562 299 P HA -0.295 nan 4.420 nan 0.000 0.219 299 P C 1.574 178.952 177.300 0.130 0.000 1.158 299 P CA 2.520 65.690 63.100 0.117 0.000 0.895 299 P CB 0.153 31.894 31.700 0.067 0.000 0.792 300 E N -0.899 119.381 120.200 0.134 0.000 2.065 300 E HA -0.286 4.065 4.350 0.002 0.000 0.201 300 E C 1.791 178.475 176.600 0.141 0.000 1.016 300 E CA 1.528 58.002 56.400 0.123 0.000 0.818 300 E CB -1.240 28.533 29.700 0.122 0.000 0.749 300 E HN 0.232 nan 8.360 nan 0.000 0.453 301 N N 1.045 119.856 118.700 0.185 0.000 2.104 301 N HA -0.141 4.600 4.740 0.002 0.000 0.190 301 N C 2.014 177.620 175.510 0.161 0.000 1.024 301 N CA 1.521 54.686 53.050 0.192 0.000 0.853 301 N CB -0.294 38.354 38.487 0.268 0.000 1.008 301 N HN 0.326 nan 8.380 nan 0.000 0.424 302 I N 1.257 121.917 120.570 0.150 0.000 2.657 302 I HA -0.176 3.995 4.170 0.002 0.000 0.261 302 I C 1.425 177.620 176.117 0.130 0.000 1.212 302 I CA 1.017 62.391 61.300 0.123 0.000 1.453 302 I CB -0.040 38.029 38.000 0.115 0.000 1.092 302 I HN 0.071 nan 8.210 nan 0.000 0.452 303 E N 0.490 120.766 120.200 0.127 0.000 2.340 303 E HA 0.011 4.363 4.350 0.002 0.000 0.198 303 E C 1.876 178.553 176.600 0.128 0.000 0.961 303 E CA 0.300 56.771 56.400 0.118 0.000 0.905 303 E CB 0.087 29.844 29.700 0.095 0.000 0.884 303 E HN 0.458 nan 8.360 nan 0.000 0.491 304 K N 0.732 121.211 120.400 0.132 0.000 2.155 304 K HA 0.091 4.412 4.320 0.002 0.000 0.203 304 K C 2.131 178.831 176.600 0.166 0.000 1.052 304 K CA 0.639 57.009 56.287 0.139 0.000 0.948 304 K CB 0.114 32.685 32.500 0.117 0.000 0.728 304 K HN 0.075 nan 8.250 nan 0.000 0.448 305 I N 0.900 121.571 120.570 0.169 0.000 2.546 305 I HA -0.153 4.018 4.170 0.002 0.000 0.255 305 I C 0.341 176.641 176.117 0.306 0.000 1.163 305 I CA 0.803 62.222 61.300 0.199 0.000 1.457 305 I CB 0.011 38.096 38.000 0.143 0.000 1.092 305 I HN 0.198 nan 8.210 nan 0.000 0.434 306 L N -0.162 121.210 121.223 0.248 0.000 3.624 306 L HA -0.161 4.180 4.340 0.002 0.000 0.425 306 L C -0.194 176.873 176.870 0.327 0.000 1.247 306 L CA -0.022 54.950 54.840 0.221 0.000 0.861 306 L CB -2.487 39.647 42.059 0.125 0.000 1.965 306 L HN 0.310 nan 8.230 nan 0.000 0.751 307 A N 0.093 123.087 122.820 0.291 0.000 2.532 307 A HA 0.967 5.288 4.320 0.002 0.000 0.290 307 A C -0.335 177.394 177.584 0.241 0.000 1.143 307 A CA -0.013 52.232 52.037 0.347 0.000 0.728 307 A CB 2.349 21.498 19.000 0.248 0.000 1.317 307 A HN 0.800 nan 8.150 nan 0.000 0.414 308 V N -1.241 118.839 119.914 0.278 0.000 2.417 308 V HA 0.677 4.799 4.120 0.002 0.000 0.291 308 V C -2.493 173.715 176.094 0.190 0.000 1.024 308 V CA -2.257 60.153 62.300 0.183 0.000 0.861 308 V CB 1.385 33.288 31.823 0.134 0.000 0.985 308 V HN 0.687 nan 8.190 nan 0.000 0.436 309 P HA 0.067 nan 4.420 nan 0.000 0.219 309 P C -0.570 176.806 177.300 0.127 0.000 1.501 309 P CA 0.856 64.027 63.100 0.119 0.000 1.124 309 P CB -0.157 31.599 31.700 0.093 0.000 1.848 310 D N 2.970 123.476 120.400 0.176 0.000 2.527 310 D HA 0.102 4.743 4.640 0.002 0.000 0.242 310 D C -1.426 175.021 176.300 0.246 0.000 1.285 310 D CA -1.917 52.184 54.000 0.168 0.000 0.886 310 D CB 1.160 42.032 40.800 0.121 0.000 1.402 310 D HN 0.016 nan 8.370 nan 0.000 0.528 311 P HA -0.166 nan 4.420 nan 0.000 0.218 311 P C 1.413 178.875 177.300 0.270 0.000 1.154 311 P CA 1.306 64.540 63.100 0.224 0.000 0.872 311 P CB 0.054 31.908 31.700 0.257 0.000 0.790 312 G N -0.455 108.458 108.800 0.190 0.000 2.615 312 G HA2 -0.112 3.850 3.960 0.002 0.000 0.213 312 G HA3 -0.112 3.850 3.960 0.002 0.000 0.213 312 G C 1.273 176.214 174.900 0.069 0.000 1.135 312 G CA 0.073 45.248 45.100 0.126 0.000 0.772 312 G HN 0.299 nan 8.290 nan 0.000 0.542 313 L N -0.480 120.776 121.223 0.054 0.000 2.741 313 L HA 0.347 4.688 4.340 0.002 0.000 0.237 313 L C -0.640 175.908 176.870 -0.538 0.000 1.178 313 L CA -0.371 54.319 54.840 -0.249 0.000 0.973 313 L CB 0.195 42.021 42.059 -0.388 0.000 1.255 313 L HN 0.094 nan 8.230 nan 0.000 0.498 314 Y N -1.386 118.898 120.300 -0.027 0.000 2.349 314 Y HA 0.361 4.912 4.550 0.002 0.000 0.324 314 Y C 1.346 177.217 175.900 -0.048 0.000 1.005 314 Y CA -1.076 56.989 58.100 -0.057 0.000 1.240 314 Y CB 1.176 39.584 38.460 -0.086 0.000 1.117 314 Y HN -0.024 nan 8.280 nan 0.000 0.463 315 G N 2.207 111.028 108.800 0.035 0.000 2.562 315 G HA2 -0.300 3.662 3.960 0.002 0.000 0.223 315 G HA3 -0.300 3.662 3.960 0.002 0.000 0.223 315 G C 1.239 176.245 174.900 0.176 0.000 1.102 315 G CA 0.834 45.961 45.100 0.044 0.000 0.742 315 G HN 0.708 nan 8.290 nan 0.000 0.587 316 F N -0.543 119.396 119.950 -0.019 0.000 2.802 316 F HA 0.318 4.847 4.527 0.002 0.000 0.300 316 F C 2.032 177.685 175.800 -0.246 0.000 1.168 316 F CA -0.108 57.822 58.000 -0.116 0.000 1.433 316 F CB 0.254 39.161 39.000 -0.155 0.000 1.115 316 F HN 0.152 nan 8.300 nan 0.000 0.582 317 I N -0.895 119.677 120.570 0.003 0.000 4.530 317 I HA -0.113 4.059 4.170 0.002 0.000 0.318 317 I C 1.305 177.474 176.117 0.087 0.000 1.257 317 I CA 0.239 61.476 61.300 -0.105 0.000 1.301 317 I CB 0.069 37.905 38.000 -0.273 0.000 1.297 317 I HN 0.001 nan 8.210 nan 0.000 0.451 318 N N 0.769 119.528 118.700 0.100 0.000 2.463 318 N HA -0.129 4.613 4.740 0.002 0.000 0.181 318 N C 1.417 176.954 175.510 0.046 0.000 1.078 318 N CA 0.565 53.675 53.050 0.099 0.000 0.902 318 N CB -0.356 38.182 38.487 0.084 0.000 0.970 318 N HN 0.313 nan 8.380 nan 0.000 0.451 319 Q N -0.132 119.680 119.800 0.020 0.000 2.133 319 Q HA -0.092 4.250 4.340 0.002 0.000 0.208 319 Q C 1.310 177.266 176.000 -0.073 0.000 0.991 319 Q CA 1.726 57.509 55.803 -0.034 0.000 0.867 319 Q CB -0.226 28.456 28.738 -0.093 0.000 0.911 319 Q HN 0.621 nan 8.270 nan 0.000 0.417 320 G N -0.541 108.211 108.800 -0.080 0.000 3.434 320 G HA2 0.196 4.157 3.960 0.002 0.000 0.192 320 G HA3 0.196 4.157 3.960 0.002 0.000 0.192 320 G C -0.147 174.713 174.900 -0.067 0.000 1.704 320 G CA -0.231 44.811 45.100 -0.096 0.000 0.936 320 G HN 0.091 nan 8.290 nan 0.000 0.623 321 T N 0.413 114.907 114.554 -0.100 0.000 2.881 321 T HA 0.408 4.760 4.350 0.002 0.000 0.278 321 T C 1.374 175.989 174.700 -0.142 0.000 0.982 321 T CA -0.329 61.705 62.100 -0.111 0.000 0.989 321 T CB 1.517 70.302 68.868 -0.139 0.000 1.058 321 T HN 0.199 nan 8.240 nan 0.000 0.529 322 L N 0.483 121.638 121.223 -0.113 0.000 2.316 322 L HA 0.238 4.580 4.340 0.002 0.000 0.207 322 L C 1.170 177.918 176.870 -0.204 0.000 1.070 322 L CA 0.220 55.011 54.840 -0.082 0.000 0.820 322 L CB -0.055 42.016 42.059 0.019 0.000 0.992 322 L HN 0.760 nan 8.230 nan 0.000 0.466 323 T N -2.900 111.552 114.554 -0.170 0.000 2.816 323 T HA 0.672 5.023 4.350 0.002 0.000 0.299 323 T C -0.718 173.907 174.700 -0.124 0.000 1.230 323 T CA -0.702 61.310 62.100 -0.146 0.000 1.007 323 T CB 2.311 71.145 68.868 -0.057 0.000 1.289 323 T HN -0.247 nan 8.240 nan 0.000 0.508 324 V N 0.875 120.735 119.914 -0.089 0.000 2.769 324 V HA 0.460 4.581 4.120 0.002 0.000 0.312 324 V C -0.563 175.504 176.094 -0.046 0.000 1.061 324 V CA -1.083 61.178 62.300 -0.064 0.000 0.931 324 V CB 1.873 33.672 31.823 -0.038 0.000 1.010 324 V HN 0.955 nan 8.190 nan 0.000 0.433 325 D N 2.659 123.034 120.400 -0.042 0.000 2.390 325 D HA 0.380 5.022 4.640 0.002 0.000 0.249 325 D C 1.147 177.428 176.300 -0.031 0.000 1.144 325 D CA 1.414 55.393 54.000 -0.035 0.000 0.880 325 D CB 1.384 42.163 40.800 -0.036 0.000 1.182 325 D HN 1.099 nan 8.370 nan 0.000 0.451 326 G N 2.169 110.952 108.800 -0.028 0.000 2.147 326 G HA2 -0.261 3.701 3.960 0.002 0.000 0.244 326 G HA3 -0.261 3.701 3.960 0.002 0.000 0.244 326 G C 0.181 175.063 174.900 -0.030 0.000 1.005 326 G CA -0.089 44.995 45.100 -0.027 0.000 0.713 326 G HN 0.552 nan 8.290 nan 0.000 0.515 327 I N 0.242 120.792 120.570 -0.034 0.000 2.499 327 I HA 0.430 4.601 4.170 0.002 0.000 0.288 327 I C -1.546 174.551 176.117 -0.033 0.000 1.048 327 I CA -0.932 60.340 61.300 -0.047 0.000 1.062 327 I CB 1.695 39.655 38.000 -0.068 0.000 1.238 327 I HN -0.027 nan 8.210 nan 0.000 0.426 328 D N 6.800 127.183 120.400 -0.027 0.000 2.472 328 D HA 0.157 4.799 4.640 0.002 0.000 0.234 328 D C 0.499 176.802 176.300 0.004 0.000 1.088 328 D CA -0.190 53.807 54.000 -0.006 0.000 0.882 328 D CB 1.193 41.993 40.800 -0.001 0.000 1.037 328 D HN 0.512 nan 8.370 nan 0.000 0.520 329 D N 2.546 122.959 120.400 0.021 0.000 2.104 329 D HA -0.185 4.456 4.640 0.002 0.000 0.194 329 D C 1.407 177.748 176.300 0.068 0.000 0.994 329 D CA 1.174 55.203 54.000 0.049 0.000 0.830 329 D CB 0.445 41.300 40.800 0.092 0.000 0.959 329 D HN 0.610 nan 8.370 nan 0.000 0.452 330 E N 0.776 121.017 120.200 0.068 0.000 2.065 330 E HA -0.227 4.124 4.350 0.002 0.000 0.201 330 E C 2.101 178.758 176.600 0.095 0.000 1.016 330 E CA 1.026 57.476 56.400 0.083 0.000 0.818 330 E CB -0.105 29.626 29.700 0.051 0.000 0.749 330 E HN 0.358 nan 8.360 nan 0.000 0.453 331 E N 0.314 120.551 120.200 0.062 0.000 2.085 331 E HA -0.229 4.122 4.350 0.002 0.000 0.194 331 E C 1.970 178.616 176.600 0.077 0.000 0.994 331 E CA 0.972 57.409 56.400 0.061 0.000 0.801 331 E CB 0.192 29.912 29.700 0.032 0.000 0.743 331 E HN 0.171 nan 8.360 nan 0.000 0.453 332 E N 0.449 120.682 120.200 0.055 0.000 2.047 332 E HA -0.199 4.152 4.350 0.002 0.000 0.191 332 E C 1.967 178.618 176.600 0.086 0.000 0.987 332 E CA 0.939 57.366 56.400 0.046 0.000 0.799 332 E CB -0.449 29.248 29.700 -0.004 0.000 0.752 332 E HN 0.285 nan 8.360 nan 0.000 0.449 333 M N 1.094 120.760 119.600 0.110 0.000 2.267 333 M HA -0.059 4.423 4.480 0.002 0.000 0.263 333 M C 1.822 178.261 176.300 0.232 0.000 1.063 333 M CA 1.756 57.136 55.300 0.134 0.000 1.090 333 M CB -0.861 31.844 32.600 0.175 0.000 1.392 333 M HN 0.058 nan 8.290 nan 0.000 0.422 334 G N 0.101 109.070 108.800 0.282 0.000 2.454 334 G HA2 -0.120 3.842 3.960 0.002 0.000 0.214 334 G HA3 -0.120 3.842 3.960 0.002 0.000 0.214 334 G C 1.495 176.527 174.900 0.221 0.000 1.217 334 G CA 0.841 46.146 45.100 0.342 0.000 0.799 334 G HN 0.498 nan 8.290 nan 0.000 0.538 335 L N 0.478 121.785 121.223 0.141 0.000 2.043 335 L HA -0.139 4.202 4.340 0.002 0.000 0.212 335 L C 3.206 180.137 176.870 0.101 0.000 1.075 335 L CA 1.626 56.526 54.840 0.101 0.000 0.752 335 L CB -0.928 41.169 42.059 0.064 0.000 0.891 335 L HN 0.203 nan 8.230 nan 0.000 0.432 336 T N -0.945 113.672 114.554 0.105 0.000 2.635 336 T HA -0.263 4.089 4.350 0.002 0.000 0.267 336 T C 1.634 176.456 174.700 0.202 0.000 1.040 336 T CA 1.900 64.067 62.100 0.112 0.000 1.156 336 T CB -0.295 68.639 68.868 0.111 0.000 0.863 336 T HN 0.381 nan 8.240 nan 0.000 0.430 337 D N 0.367 120.890 120.400 0.206 0.000 2.097 337 D HA -0.092 4.549 4.640 0.002 0.000 0.195 337 D C 2.252 178.669 176.300 0.195 0.000 0.989 337 D CA 1.351 55.475 54.000 0.207 0.000 0.827 337 D CB -0.476 40.257 40.800 -0.113 0.000 0.966 337 D HN 0.274 nan 8.370 nan 0.000 0.456 338 T N 0.217 114.867 114.554 0.160 0.000 2.684 338 T HA -0.135 4.216 4.350 0.002 0.000 0.267 338 T C 1.916 176.676 174.700 0.099 0.000 1.036 338 T CA 1.915 64.090 62.100 0.126 0.000 1.148 338 T CB -0.475 68.459 68.868 0.110 0.000 0.863 338 T HN 0.289 nan 8.240 nan 0.000 0.436 339 A N 0.731 123.602 122.820 0.084 0.000 1.933 339 A HA -0.035 4.286 4.320 0.002 0.000 0.218 339 A C 1.945 179.556 177.584 0.045 0.000 1.175 339 A CA 1.210 53.263 52.037 0.026 0.000 0.628 339 A CB -0.976 18.013 19.000 -0.018 0.000 0.814 339 A HN 0.440 nan 8.150 nan 0.000 0.444 340 F N 0.876 120.829 119.950 0.005 0.000 2.250 340 F HA -0.156 4.372 4.527 0.002 0.000 0.301 340 F C 1.551 177.329 175.800 -0.037 0.000 1.077 340 F CA 1.754 59.756 58.000 0.003 0.000 1.348 340 F CB -0.373 38.645 39.000 0.029 0.000 1.040 340 F HN 0.382 nan 8.300 nan 0.000 0.509 341 D N -1.402 119.095 120.400 0.161 0.000 2.216 341 D HA -0.065 4.577 4.640 0.002 0.000 0.208 341 D C 2.296 178.578 176.300 -0.029 0.000 0.960 341 D CA 0.758 54.788 54.000 0.050 0.000 0.861 341 D CB -0.144 40.681 40.800 0.040 0.000 0.985 341 D HN 0.022 nan 8.370 nan 0.000 0.493 342 V N 1.066 120.964 119.914 -0.027 0.000 2.407 342 V HA -0.179 3.943 4.120 0.002 0.000 0.248 342 V C 2.172 178.176 176.094 -0.150 0.000 1.055 342 V CA 1.192 63.449 62.300 -0.072 0.000 1.049 342 V CB -0.492 31.302 31.823 -0.048 0.000 0.662 342 V HN 0.285 nan 8.190 nan 0.000 0.455 343 L N 0.719 121.837 121.223 -0.175 0.000 2.549 343 L HA 0.131 4.473 4.340 0.002 0.000 0.229 343 L C 1.432 177.918 176.870 -0.640 0.000 1.158 343 L CA 0.772 55.422 54.840 -0.316 0.000 0.842 343 L CB -1.021 40.900 42.059 -0.230 0.000 0.952 343 L HN 0.589 nan 8.230 nan 0.000 0.452 344 G N 0.717 109.256 108.800 -0.436 0.000 2.415 344 G HA2 -0.299 3.662 3.960 0.002 0.000 0.283 344 G HA3 -0.299 3.662 3.960 0.002 0.000 0.283 344 G C -0.408 174.104 174.900 -0.646 0.000 1.014 344 G CA -0.272 44.553 45.100 -0.458 0.000 1.323 344 G HN 0.270 nan 8.290 nan 0.000 0.502 345 F N 0.660 120.625 119.950 0.026 0.000 2.562 345 F HA 0.355 4.884 4.527 0.002 0.000 0.319 345 F C 1.210 176.998 175.800 -0.019 0.000 1.154 345 F CA -0.782 57.231 58.000 0.020 0.000 0.931 345 F CB 1.860 40.894 39.000 0.057 0.000 1.198 345 F HN 0.325 nan 8.300 nan 0.000 0.444 346 T N 0.526 115.206 114.554 0.208 0.000 2.588 346 T HA -0.161 4.190 4.350 0.002 0.000 0.236 346 T C 0.771 175.454 174.700 -0.027 0.000 1.027 346 T CA -0.079 62.060 62.100 0.064 0.000 1.167 346 T CB 0.122 69.020 68.868 0.049 0.000 1.014 346 T HN 0.506 nan 8.240 nan 0.000 0.476 347 D N 1.766 122.125 120.400 -0.070 0.000 2.389 347 D HA -0.106 4.535 4.640 0.002 0.000 0.221 347 D C 1.657 177.848 176.300 -0.181 0.000 0.974 347 D CA 0.772 54.679 54.000 -0.155 0.000 0.923 347 D CB 0.093 40.826 40.800 -0.112 0.000 0.892 347 D HN 0.716 nan 8.370 nan 0.000 0.518 348 E N 1.143 121.269 120.200 -0.124 0.000 2.140 348 E HA -0.083 4.268 4.350 0.002 0.000 0.191 348 E C 1.733 178.234 176.600 -0.164 0.000 0.973 348 E CA 0.682 57.006 56.400 -0.126 0.000 0.829 348 E CB 0.154 29.804 29.700 -0.083 0.000 0.781 348 E HN 0.316 nan 8.360 nan 0.000 0.466 349 E N 0.631 120.746 120.200 -0.141 0.000 2.047 349 E HA -0.189 4.163 4.350 0.002 0.000 0.191 349 E C 1.918 178.372 176.600 -0.244 0.000 0.987 349 E CA 1.071 57.383 56.400 -0.147 0.000 0.799 349 E CB -0.273 29.429 29.700 0.003 0.000 0.752 349 E HN 0.106 nan 8.360 nan 0.000 0.449 350 K N 1.074 121.255 120.400 -0.366 0.000 2.362 350 K HA -0.205 4.117 4.320 0.002 0.000 0.202 350 K C 1.985 178.086 176.600 -0.832 0.000 1.045 350 K CA 0.701 56.517 56.287 -0.785 0.000 0.936 350 K CB 0.013 32.027 32.500 -0.810 0.000 0.747 350 K HN 0.074 nan 8.250 nan 0.000 0.467 351 L N -0.092 120.850 121.223 -0.468 0.000 2.116 351 L HA 0.003 4.344 4.340 0.002 0.000 0.200 351 L C 2.043 178.813 176.870 -0.167 0.000 1.084 351 L CA 1.367 56.017 54.840 -0.317 0.000 0.766 351 L CB -0.557 41.389 42.059 -0.190 0.000 0.930 351 L HN -0.005 nan 8.230 nan 0.000 0.453 352 S N -0.123 115.474 115.700 -0.172 0.000 2.381 352 S HA -0.328 4.144 4.470 0.002 0.000 0.230 352 S C 1.962 176.516 174.600 -0.078 0.000 1.052 352 S CA 2.256 60.369 58.200 -0.146 0.000 1.068 352 S CB -0.582 62.483 63.200 -0.224 0.000 0.918 352 S HN 0.510 nan 8.310 nan 0.000 0.448 353 M N 0.696 120.249 119.600 -0.078 0.000 2.082 353 M HA -0.147 4.334 4.480 0.002 0.000 0.258 353 M C 1.647 178.107 176.300 0.267 0.000 1.069 353 M CA 1.746 57.090 55.300 0.074 0.000 1.102 353 M CB -0.786 31.884 32.600 0.117 0.000 1.336 353 M HN 0.467 nan 8.290 nan 0.000 0.404 354 Y N -0.755 119.537 120.300 -0.014 0.000 2.242 354 Y HA -0.223 4.328 4.550 0.002 0.000 0.291 354 Y C 2.313 178.223 175.900 0.016 0.000 1.137 354 Y CA 0.763 58.868 58.100 0.010 0.000 1.181 354 Y CB -0.213 38.220 38.460 -0.046 0.000 0.989 354 Y HN 0.268 nan 8.280 nan 0.000 0.527 355 K N -0.641 119.852 120.400 0.155 0.000 2.103 355 K HA -0.139 4.182 4.320 0.002 0.000 0.204 355 K C 2.033 178.685 176.600 0.087 0.000 1.052 355 K CA 1.223 57.565 56.287 0.091 0.000 0.945 355 K CB -0.266 32.243 32.500 0.014 0.000 0.722 355 K HN 0.283 nan 8.250 nan 0.000 0.443 356 C N 0.497 119.842 119.300 0.075 0.000 2.440 356 C HA -0.074 4.387 4.460 0.002 0.000 0.278 356 C C 2.681 177.771 174.990 0.167 0.000 1.295 356 C CA 0.960 60.030 59.018 0.087 0.000 1.738 356 C CB -0.755 27.011 27.740 0.043 0.000 1.987 356 C HN 0.530 nan 8.230 nan 0.000 0.492 357 T N 0.683 115.350 114.554 0.188 0.000 2.674 357 T HA -0.079 4.273 4.350 0.002 0.000 0.265 357 T C 2.057 176.887 174.700 0.217 0.000 1.039 357 T CA 1.884 64.115 62.100 0.218 0.000 1.150 357 T CB -0.753 68.147 68.868 0.052 0.000 0.864 357 T HN 0.663 nan 8.240 nan 0.000 0.427 358 G N 0.154 109.017 108.800 0.106 0.000 2.440 358 G HA2 -0.281 3.681 3.960 0.002 0.000 0.218 358 G HA3 -0.281 3.681 3.960 0.002 0.000 0.218 358 G C 1.997 176.877 174.900 -0.033 0.000 1.154 358 G CA 1.059 46.161 45.100 0.004 0.000 0.767 358 G HN 0.596 nan 8.290 nan 0.000 0.552 359 C N 0.524 119.888 119.300 0.106 0.000 2.413 359 C HA -0.008 4.453 4.460 0.002 0.000 0.277 359 C C 2.856 177.937 174.990 0.153 0.000 1.265 359 C CA 0.853 59.969 59.018 0.163 0.000 1.752 359 C CB -1.038 26.791 27.740 0.147 0.000 1.998 359 C HN 0.479 nan 8.230 nan 0.000 0.489 360 I N 0.410 121.093 120.570 0.190 0.000 2.454 360 I HA -0.182 3.990 4.170 0.002 0.000 0.254 360 I C 2.372 178.611 176.117 0.203 0.000 1.156 360 I CA 1.201 62.657 61.300 0.260 0.000 1.433 360 I CB -0.378 37.831 38.000 0.348 0.000 1.082 360 I HN 0.414 nan 8.210 nan 0.000 0.432 361 L N -0.131 121.073 121.223 -0.032 0.000 2.027 361 L HA -0.219 4.123 4.340 0.002 0.000 0.206 361 L C 2.731 179.579 176.870 -0.037 0.000 1.074 361 L CA 1.259 55.972 54.840 -0.212 0.000 0.745 361 L CB -0.866 40.787 42.059 -0.677 0.000 0.898 361 L HN 0.350 nan 8.230 nan 0.000 0.433 362 H N -0.221 118.951 119.070 0.170 0.000 2.395 362 H HA -0.054 4.504 4.556 0.002 0.000 0.299 362 H C 2.400 177.759 175.328 0.051 0.000 1.070 362 H CA 0.980 57.110 56.048 0.137 0.000 1.356 362 H CB -0.368 29.469 29.762 0.126 0.000 1.401 362 H HN 0.266 nan 8.280 nan 0.000 0.524 363 L N 0.273 121.609 121.223 0.187 0.000 2.089 363 L HA -0.155 4.187 4.340 0.002 0.000 0.213 363 L C 2.617 179.421 176.870 -0.109 0.000 1.079 363 L CA 1.472 56.401 54.840 0.148 0.000 0.758 363 L CB -0.622 41.614 42.059 0.294 0.000 0.891 363 L HN 0.316 nan 8.230 nan 0.000 0.433 364 G N -1.540 106.981 108.800 -0.466 0.000 2.679 364 G HA2 -0.126 3.835 3.960 0.002 0.000 0.212 364 G HA3 -0.126 3.835 3.960 0.002 0.000 0.212 364 G C 1.461 176.102 174.900 -0.431 0.000 1.137 364 G CA 0.129 44.586 45.100 -1.071 0.000 0.787 364 G HN 0.245 nan 8.290 nan 0.000 0.534 365 E N 0.034 120.123 120.200 -0.186 0.000 2.216 365 E HA 0.133 4.485 4.350 0.002 0.000 0.192 365 E C 1.267 177.767 176.600 -0.166 0.000 0.973 365 E CA -0.128 56.196 56.400 -0.128 0.000 0.851 365 E CB -0.088 29.593 29.700 -0.031 0.000 0.804 365 E HN 0.406 nan 8.360 nan 0.000 0.477 366 M N 2.082 121.583 119.600 -0.164 0.000 2.286 366 M HA -0.090 4.392 4.480 0.002 0.000 0.365 366 M C 0.025 175.998 176.300 -0.546 0.000 1.443 366 M CA 0.852 55.948 55.300 -0.341 0.000 0.951 366 M CB -0.014 32.468 32.600 -0.198 0.000 1.961 366 M HN -0.335 nan 8.290 nan 0.000 0.468 367 K N 2.824 122.805 120.400 -0.698 0.000 2.123 367 K HA 0.676 4.998 4.320 0.002 0.000 0.248 367 K C -1.538 174.525 176.600 -0.895 0.000 0.969 367 K CA -0.231 55.715 56.287 -0.568 0.000 0.882 367 K CB 1.239 33.567 32.500 -0.288 0.000 1.080 367 K HN 0.495 nan 8.250 nan 0.000 0.441 368 W N 0.387 121.686 121.300 -0.002 0.000 3.129 368 W HA 0.454 5.115 4.660 0.002 0.000 0.333 368 W C -0.483 176.040 176.519 0.007 0.000 1.141 368 W CA -0.770 56.578 57.345 0.006 0.000 1.224 368 W CB 1.729 31.197 29.460 0.013 0.000 1.393 368 W HN 0.251 nan 8.180 nan 0.000 0.499 369 K N 2.407 122.953 120.400 0.244 0.000 2.395 369 K HA 0.585 4.906 4.320 0.002 0.000 0.247 369 K C -0.933 175.750 176.600 0.138 0.000 0.973 369 K CA -0.704 55.669 56.287 0.143 0.000 0.828 369 K CB 1.812 34.360 32.500 0.081 0.000 1.272 369 K HN 0.547 nan 8.250 nan 0.000 0.439 370 Q N 1.868 121.723 119.800 0.092 0.000 2.433 370 Q HA 0.620 4.962 4.340 0.002 0.000 0.279 370 Q C -0.833 175.197 176.000 0.050 0.000 1.105 370 Q CA -1.158 54.687 55.803 0.071 0.000 0.815 370 Q CB 1.852 30.624 28.738 0.056 0.000 1.403 370 Q HN 0.218 nan 8.270 nan 0.000 0.435 371 R N 0.936 121.461 120.500 0.042 0.000 2.358 371 R HA 0.416 4.757 4.340 0.002 0.000 0.309 371 R C 0.486 176.801 176.300 0.025 0.000 1.026 371 R CA 0.404 56.523 56.100 0.032 0.000 0.909 371 R CB 0.590 30.909 30.300 0.032 0.000 1.153 371 R HN 1.102 nan 8.270 nan 0.000 0.515 372 G N 3.043 111.856 108.800 0.022 0.000 5.452 372 G HA2 -0.370 3.592 3.960 0.002 0.000 0.310 372 G HA3 -0.370 3.592 3.960 0.002 0.000 0.310 372 G C 0.435 175.344 174.900 0.015 0.000 1.392 372 G CA 0.687 45.797 45.100 0.017 0.000 0.942 372 G HN 0.527 nan 8.290 nan 0.000 0.776 373 E N -0.728 119.481 120.200 0.014 0.000 3.303 373 E HA 0.326 4.677 4.350 0.002 0.000 0.142 373 E C -0.575 176.029 176.600 0.006 0.000 0.921 373 E CA 0.019 56.424 56.400 0.009 0.000 1.460 373 E CB 0.611 30.313 29.700 0.003 0.000 1.036 373 E HN 0.303 nan 8.360 nan 0.000 0.407 374 Q N 1.100 120.908 119.800 0.015 0.000 2.397 374 Q HA 0.586 4.928 4.340 0.002 0.000 0.260 374 Q C -1.146 174.873 176.000 0.031 0.000 1.002 374 Q CA -0.386 55.427 55.803 0.015 0.000 0.716 374 Q CB 1.330 30.080 28.738 0.020 0.000 1.258 374 Q HN 0.242 nan 8.270 nan 0.000 0.477 375 A N 3.702 126.536 122.820 0.023 0.000 2.366 375 A HA 0.635 4.957 4.320 0.002 0.000 0.249 375 A C -0.340 177.312 177.584 0.113 0.000 1.084 375 A CA 0.065 52.142 52.037 0.065 0.000 0.794 375 A CB 0.346 19.356 19.000 0.017 0.000 1.034 375 A HN 0.822 nan 8.150 nan 0.000 0.491 376 E N 0.018 120.350 120.200 0.219 0.000 2.413 376 E HA 0.644 4.996 4.350 0.002 0.000 0.277 376 E C -0.196 176.640 176.600 0.393 0.000 0.958 376 E CA -0.662 55.895 56.400 0.260 0.000 0.779 376 E CB 1.345 31.132 29.700 0.144 0.000 1.278 376 E HN 0.927 nan 8.360 nan 0.000 0.456 377 A N 1.042 124.065 122.820 0.338 0.000 2.377 377 A HA 0.192 4.514 4.320 0.002 0.000 0.274 377 A C 0.143 177.694 177.584 -0.055 0.000 1.178 377 A CA 0.989 53.068 52.037 0.071 0.000 0.836 377 A CB -0.010 19.004 19.000 0.023 0.000 1.111 377 A HN 0.787 nan 8.150 nan 0.000 0.517 378 D N -2.681 117.599 120.400 -0.200 0.000 2.950 378 D HA 0.365 5.007 4.640 0.002 0.000 0.212 378 D C 0.130 176.315 176.300 -0.193 0.000 1.398 378 D CA 1.090 54.999 54.000 -0.153 0.000 1.198 378 D CB -0.081 40.639 40.800 -0.133 0.000 1.369 378 D HN 1.387 nan 8.370 nan 0.000 0.624 379 G N 0.776 109.487 108.800 -0.148 0.000 3.465 379 G HA2 -0.226 3.736 3.960 0.002 0.000 0.196 379 G HA3 -0.226 3.736 3.960 0.002 0.000 0.196 379 G C 0.923 175.754 174.900 -0.116 0.000 1.170 379 G CA 0.701 45.718 45.100 -0.138 0.000 0.887 379 G HN 0.701 nan 8.290 nan 0.000 0.444 380 T N 0.197 114.671 114.554 -0.134 0.000 9.297 380 T HA -0.371 3.980 4.350 0.002 0.000 0.393 380 T C 2.207 176.864 174.700 -0.071 0.000 1.628 380 T CA 3.214 65.263 62.100 -0.085 0.000 2.547 380 T CB -1.627 67.212 68.868 -0.047 0.000 2.891 380 T HN 1.943 nan 8.240 nan 0.000 1.219 381 A N 0.738 123.506 122.820 -0.086 0.000 1.872 381 A HA 0.004 4.325 4.320 0.002 0.000 0.214 381 A C 2.018 179.552 177.584 -0.082 0.000 1.187 381 A CA 2.126 54.116 52.037 -0.079 0.000 0.614 381 A CB -0.396 18.554 19.000 -0.084 0.000 0.826 381 A HN 0.617 nan 8.150 nan 0.000 0.442 382 E N 0.458 120.601 120.200 -0.094 0.000 2.023 382 E HA -0.071 4.280 4.350 0.002 0.000 0.196 382 E C 2.223 178.813 176.600 -0.017 0.000 1.003 382 E CA 1.452 57.812 56.400 -0.068 0.000 0.809 382 E CB -0.660 28.997 29.700 -0.072 0.000 0.755 382 E HN 0.538 nan 8.360 nan 0.000 0.449 383 A N 1.512 124.319 122.820 -0.021 0.000 1.958 383 A HA -0.339 3.983 4.320 0.002 0.000 0.221 383 A C 2.049 179.668 177.584 0.058 0.000 1.178 383 A CA 2.245 54.307 52.037 0.042 0.000 0.642 383 A CB -0.793 18.230 19.000 0.039 0.000 0.816 383 A HN 0.504 nan 8.150 nan 0.000 0.453 384 E N -0.554 119.664 120.200 0.029 0.000 2.299 384 E HA -0.070 4.282 4.350 0.002 0.000 0.193 384 E C 1.777 178.428 176.600 0.085 0.000 0.998 384 E CA 0.827 57.257 56.400 0.050 0.000 0.851 384 E CB -0.198 29.509 29.700 0.011 0.000 0.795 384 E HN 0.599 nan 8.360 nan 0.000 0.492 385 K N 1.196 121.617 120.400 0.036 0.000 2.031 385 K HA -0.090 4.232 4.320 0.002 0.000 0.205 385 K C 2.479 179.160 176.600 0.136 0.000 1.049 385 K CA 1.628 57.936 56.287 0.035 0.000 0.939 385 K CB -0.121 32.256 32.500 -0.205 0.000 0.717 385 K HN 0.169 nan 8.250 nan 0.000 0.438 386 V N -1.200 118.792 119.914 0.130 0.000 2.379 386 V HA -0.087 4.035 4.120 0.002 0.000 0.245 386 V C 2.309 178.473 176.094 0.117 0.000 1.044 386 V CA 1.569 63.962 62.300 0.156 0.000 1.036 386 V CB -1.083 30.839 31.823 0.165 0.000 0.664 386 V HN 0.185 nan 8.190 nan 0.000 0.453 387 A N 0.427 123.317 122.820 0.118 0.000 1.892 387 A HA -0.206 4.116 4.320 0.002 0.000 0.218 387 A C 2.128 179.781 177.584 0.116 0.000 1.188 387 A CA 2.328 54.427 52.037 0.104 0.000 0.631 387 A CB -0.957 18.107 19.000 0.107 0.000 0.822 387 A HN 0.674 nan 8.150 nan 0.000 0.447 388 F N 0.429 120.389 119.950 0.017 0.000 2.060 388 F HA -0.083 4.446 4.527 0.002 0.000 0.295 388 F C 1.945 177.755 175.800 0.016 0.000 1.120 388 F CA 1.594 59.599 58.000 0.009 0.000 1.205 388 F CB -0.665 38.337 39.000 0.003 0.000 0.986 388 F HN 0.127 nan 8.300 nan 0.000 0.470 389 L N 0.021 121.133 121.223 -0.185 0.000 2.197 389 L HA -0.274 4.068 4.340 0.002 0.000 0.215 389 L C 2.161 178.885 176.870 -0.243 0.000 1.095 389 L CA 1.187 55.877 54.840 -0.250 0.000 0.764 389 L CB -0.631 41.441 42.059 0.022 0.000 0.897 389 L HN 0.287 nan 8.230 nan 0.000 0.436 390 L N -0.989 120.144 121.223 -0.152 0.000 2.585 390 L HA 0.205 4.547 4.340 0.002 0.000 0.226 390 L C 1.066 177.842 176.870 -0.157 0.000 1.113 390 L CA 0.298 55.062 54.840 -0.127 0.000 0.876 390 L CB -0.319 41.710 42.059 -0.051 0.000 1.072 390 L HN 0.399 nan 8.230 nan 0.000 0.468 391 G N 1.625 110.311 108.800 -0.191 0.000 2.422 391 G HA2 -0.171 3.791 3.960 0.002 0.000 0.290 391 G HA3 -0.171 3.791 3.960 0.002 0.000 0.290 391 G C -0.469 174.394 174.900 -0.062 0.000 1.059 391 G CA 0.207 45.224 45.100 -0.138 0.000 1.242 391 G HN 0.120 nan 8.290 nan 0.000 0.520 392 V N 0.489 120.398 119.914 -0.009 0.000 3.232 392 V HA 0.502 4.623 4.120 0.002 0.000 0.303 392 V C -0.454 175.665 176.094 0.043 0.000 1.311 392 V CA -1.665 60.638 62.300 0.005 0.000 1.061 392 V CB 2.132 33.952 31.823 -0.005 0.000 1.085 392 V HN 0.380 nan 8.190 nan 0.000 0.447 393 N N 1.377 120.101 118.700 0.039 0.000 2.414 393 N HA 0.384 5.125 4.740 0.002 0.000 0.256 393 N C 0.998 176.540 175.510 0.054 0.000 1.029 393 N CA 0.433 53.512 53.050 0.049 0.000 0.948 393 N CB 1.861 40.371 38.487 0.037 0.000 1.102 393 N HN 0.905 nan 8.380 nan 0.000 0.496 394 A N 3.120 125.978 122.820 0.064 0.000 1.958 394 A HA -0.198 4.123 4.320 0.002 0.000 0.221 394 A C 2.089 179.713 177.584 0.066 0.000 1.178 394 A CA 2.281 54.359 52.037 0.069 0.000 0.642 394 A CB -1.000 18.037 19.000 0.061 0.000 0.816 394 A HN 0.694 nan 8.150 nan 0.000 0.453 395 G N -0.350 108.481 108.800 0.052 0.000 2.491 395 G HA2 -0.302 3.659 3.960 0.002 0.000 0.218 395 G HA3 -0.302 3.659 3.960 0.002 0.000 0.218 395 G C 1.248 176.180 174.900 0.053 0.000 1.180 395 G CA 1.242 46.371 45.100 0.049 0.000 0.774 395 G HN 0.555 nan 8.290 nan 0.000 0.562 396 D N 0.124 120.552 120.400 0.047 0.000 2.084 396 D HA -0.078 4.563 4.640 0.002 0.000 0.196 396 D C 2.477 178.809 176.300 0.053 0.000 0.985 396 D CA 0.809 54.835 54.000 0.043 0.000 0.826 396 D CB -0.336 40.484 40.800 0.033 0.000 0.978 396 D HN 0.202 nan 8.370 nan 0.000 0.456 397 L N 1.542 122.802 121.223 0.061 0.000 1.963 397 L HA -0.214 4.128 4.340 0.002 0.000 0.220 397 L C 2.429 179.356 176.870 0.095 0.000 1.076 397 L CA 1.622 56.506 54.840 0.074 0.000 0.772 397 L CB -0.921 41.192 42.059 0.090 0.000 0.892 397 L HN 0.021 nan 8.230 nan 0.000 0.435 398 L N -0.724 120.575 121.223 0.127 0.000 2.051 398 L HA -0.287 4.054 4.340 0.002 0.000 0.214 398 L C 2.758 179.693 176.870 0.108 0.000 1.076 398 L CA 1.435 56.377 54.840 0.170 0.000 0.758 398 L CB -0.785 41.382 42.059 0.180 0.000 0.890 398 L HN 0.351 nan 8.230 nan 0.000 0.433 399 K N 0.199 120.646 120.400 0.078 0.000 2.032 399 K HA -0.187 4.135 4.320 0.002 0.000 0.209 399 K C 2.083 178.707 176.600 0.040 0.000 1.048 399 K CA 1.949 58.269 56.287 0.055 0.000 0.927 399 K CB -0.626 31.902 32.500 0.046 0.000 0.712 399 K HN 0.577 nan 8.250 nan 0.000 0.441 400 C N -0.395 118.928 119.300 0.038 0.000 2.562 400 C HA 0.264 4.726 4.460 0.002 0.000 0.266 400 C C 2.451 177.449 174.990 0.013 0.000 1.382 400 C CA -0.461 58.573 59.018 0.028 0.000 1.742 400 C CB -1.251 26.506 27.740 0.028 0.000 1.812 400 C HN 0.185 nan 8.230 nan 0.000 0.559 401 L N 0.054 121.278 121.223 0.002 0.000 2.189 401 L HA 0.149 4.490 4.340 0.002 0.000 0.199 401 L C 2.779 179.578 176.870 -0.119 0.000 1.074 401 L CA 0.910 55.714 54.840 -0.059 0.000 0.783 401 L CB -0.466 41.553 42.059 -0.066 0.000 0.955 401 L HN 0.235 nan 8.230 nan 0.000 0.460 402 L N 0.253 121.424 121.223 -0.087 0.000 2.093 402 L HA -0.106 4.235 4.340 0.002 0.000 0.208 402 L C 0.493 177.343 176.870 -0.033 0.000 1.085 402 L CA 1.182 55.975 54.840 -0.080 0.000 0.755 402 L CB -0.048 42.024 42.059 0.023 0.000 0.904 402 L HN 0.321 nan 8.230 nan 0.000 0.435 403 K N -0.813 119.585 120.400 -0.003 0.000 2.897 403 K HA 0.328 4.649 4.320 0.002 0.000 0.243 403 K C -2.945 173.669 176.600 0.024 0.000 1.189 403 K CA -1.278 55.016 56.287 0.012 0.000 1.032 403 K CB 1.080 33.593 32.500 0.022 0.000 1.302 403 K HN -0.183 nan 8.250 nan 0.000 0.568 404 P HA 0.202 nan 4.420 nan 0.000 0.293 404 P C -0.988 176.342 177.300 0.050 0.000 1.298 404 P CA -0.421 62.703 63.100 0.040 0.000 0.757 404 P CB 0.692 32.421 31.700 0.049 0.000 1.262 405 K N -0.525 119.909 120.400 0.057 0.000 2.550 405 K HA 0.494 4.816 4.320 0.002 0.000 0.252 405 K C -0.078 176.569 176.600 0.078 0.000 0.943 405 K CA -0.497 55.831 56.287 0.069 0.000 0.806 405 K CB 2.157 34.688 32.500 0.051 0.000 1.289 405 K HN 0.304 nan 8.250 nan 0.000 0.435 406 I N 1.139 121.770 120.570 0.102 0.000 5.090 406 I HA 0.377 4.548 4.170 0.002 0.000 0.236 406 I C 0.027 176.215 176.117 0.119 0.000 0.676 406 I CA -0.558 60.802 61.300 0.101 0.000 2.675 406 I CB 0.642 38.702 38.000 0.099 0.000 1.445 406 I HN 0.645 nan 8.210 nan 0.000 0.516 407 K N -0.551 119.933 120.400 0.140 0.000 2.652 407 K HA 0.591 4.913 4.320 0.002 0.000 0.276 407 K C -1.131 175.576 176.600 0.179 0.000 0.934 407 K CA -0.425 55.962 56.287 0.166 0.000 0.719 407 K CB 2.184 34.744 32.500 0.100 0.000 1.387 407 K HN 0.249 nan 8.250 nan 0.000 0.338 408 V N -2.106 117.901 119.914 0.155 0.000 4.745 408 V HA 0.124 4.246 4.120 0.002 0.000 0.329 408 V C 0.892 177.046 176.094 0.100 0.000 1.852 408 V CA 0.237 62.614 62.300 0.128 0.000 0.897 408 V CB -0.084 31.863 31.823 0.206 0.000 1.025 408 V HN 0.949 nan 8.190 nan 0.000 0.460 409 G N 0.254 109.115 108.800 0.101 0.000 2.838 409 G HA2 0.403 4.365 3.960 0.002 0.000 0.210 409 G HA3 0.403 4.365 3.960 0.002 0.000 0.210 409 G C 0.436 175.364 174.900 0.046 0.000 1.153 409 G CA 1.298 46.434 45.100 0.061 0.000 0.778 409 G HN 0.910 nan 8.290 nan 0.000 0.539 410 T N -2.810 111.783 114.554 0.065 0.000 2.724 410 T HA 0.671 5.023 4.350 0.002 0.000 0.274 410 T C -1.179 173.535 174.700 0.023 0.000 0.984 410 T CA -0.873 61.222 62.100 -0.008 0.000 1.024 410 T CB 2.588 71.385 68.868 -0.120 0.000 1.320 410 T HN -0.040 nan 8.240 nan 0.000 0.555 411 E N 0.323 120.483 120.200 -0.067 0.000 2.235 411 E HA 0.402 4.754 4.350 0.002 0.000 0.252 411 E C -1.371 175.200 176.600 -0.049 0.000 0.886 411 E CA -0.558 55.850 56.400 0.013 0.000 0.767 411 E CB 1.198 30.907 29.700 0.015 0.000 1.205 411 E HN 0.499 nan 8.360 nan 0.000 0.421 412 Y N 0.500 120.807 120.300 0.011 0.000 2.334 412 Y HA 0.212 4.763 4.550 0.002 0.000 0.325 412 Y C 0.546 176.453 175.900 0.011 0.000 1.308 412 Y CA -0.839 57.267 58.100 0.009 0.000 1.389 412 Y CB 0.730 39.193 38.460 0.006 0.000 1.328 412 Y HN 0.216 nan 8.280 nan 0.000 0.532 413 V N 2.253 122.275 119.914 0.180 0.000 2.356 413 V HA 0.049 4.170 4.120 0.002 0.000 0.258 413 V C 0.542 176.693 176.094 0.095 0.000 1.065 413 V CA -0.086 62.275 62.300 0.103 0.000 0.935 413 V CB 0.048 31.912 31.823 0.067 0.000 1.061 413 V HN 0.995 nan 8.190 nan 0.000 0.484 414 T N 1.692 116.294 114.554 0.079 0.000 3.361 414 T HA -0.089 4.263 4.350 0.002 0.000 0.251 414 T C 1.421 176.137 174.700 0.026 0.000 1.131 414 T CA 0.595 62.723 62.100 0.048 0.000 1.001 414 T CB -0.235 68.667 68.868 0.057 0.000 1.003 414 T HN 0.718 nan 8.240 nan 0.000 0.558 415 Q N 1.115 120.934 119.800 0.031 0.000 2.480 415 Q HA -0.188 4.153 4.340 0.002 0.000 0.217 415 Q C 2.329 178.327 176.000 -0.002 0.000 0.993 415 Q CA 1.286 57.099 55.803 0.016 0.000 0.908 415 Q CB -1.095 27.657 28.738 0.023 0.000 0.927 415 Q HN 0.761 nan 8.270 nan 0.000 0.471 416 G N 1.661 110.455 108.800 -0.010 0.000 2.857 416 G HA2 -0.343 3.618 3.960 0.002 0.000 0.226 416 G HA3 -0.343 3.618 3.960 0.002 0.000 0.226 416 G C 0.366 175.246 174.900 -0.033 0.000 1.100 416 G CA 0.756 45.839 45.100 -0.027 0.000 0.744 416 G HN 0.333 nan 8.290 nan 0.000 0.642 417 R N 1.211 121.689 120.500 -0.037 0.000 2.478 417 R HA -0.076 4.265 4.340 0.002 0.000 0.277 417 R C 0.577 176.845 176.300 -0.053 0.000 0.913 417 R CA 1.107 57.173 56.100 -0.056 0.000 1.125 417 R CB -0.672 29.584 30.300 -0.073 0.000 0.863 417 R HN 0.771 nan 8.270 nan 0.000 0.426 418 N N 0.415 119.079 118.700 -0.059 0.000 3.184 418 N HA 0.212 4.954 4.740 0.002 0.000 0.353 418 N C 0.515 175.991 175.510 -0.056 0.000 1.441 418 N CA -0.701 52.327 53.050 -0.038 0.000 0.723 418 N CB 0.616 39.090 38.487 -0.022 0.000 1.547 418 N HN 0.362 nan 8.380 nan 0.000 0.624 419 K N -0.878 119.513 120.400 -0.015 0.000 2.044 419 K HA -0.030 4.292 4.320 0.002 0.000 0.204 419 K C 0.464 177.052 176.600 -0.021 0.000 1.049 419 K CA 1.234 57.522 56.287 0.002 0.000 0.945 419 K CB -0.313 32.230 32.500 0.072 0.000 0.724 419 K HN 0.449 nan 8.250 nan 0.000 0.440 420 D N 1.016 121.414 120.400 -0.003 0.000 2.149 420 D HA -0.182 4.459 4.640 0.002 0.000 0.198 420 D C 1.970 178.255 176.300 -0.024 0.000 0.990 420 D CA 1.293 55.294 54.000 0.002 0.000 0.839 420 D CB 0.007 40.810 40.800 0.006 0.000 0.948 420 D HN 0.419 nan 8.370 nan 0.000 0.460 421 Q N 0.228 119.997 119.800 -0.052 0.000 2.123 421 Q HA -0.085 4.257 4.340 0.002 0.000 0.199 421 Q C 2.592 178.527 176.000 -0.109 0.000 0.966 421 Q CA 1.169 56.935 55.803 -0.062 0.000 0.845 421 Q CB 0.033 28.733 28.738 -0.064 0.000 0.907 421 Q HN 0.332 nan 8.270 nan 0.000 0.439 422 V N -1.299 118.481 119.914 -0.225 0.000 2.270 422 V HA -0.204 3.917 4.120 0.002 0.000 0.245 422 V C 2.181 178.077 176.094 -0.330 0.000 1.043 422 V CA 1.971 64.017 62.300 -0.423 0.000 1.014 422 V CB -1.607 29.663 31.823 -0.922 0.000 0.645 422 V HN 0.290 nan 8.190 nan 0.000 0.447 423 T N 0.446 114.869 114.554 -0.218 0.000 2.635 423 T HA -0.322 4.030 4.350 0.002 0.000 0.267 423 T C 2.002 176.752 174.700 0.085 0.000 1.040 423 T CA 2.275 64.402 62.100 0.044 0.000 1.156 423 T CB -1.019 67.931 68.868 0.136 0.000 0.863 423 T HN 0.679 nan 8.240 nan 0.000 0.430 424 N N 0.622 119.350 118.700 0.047 0.000 2.069 424 N HA -0.169 4.573 4.740 0.002 0.000 0.191 424 N C 2.197 177.750 175.510 0.071 0.000 1.031 424 N CA 1.596 54.688 53.050 0.069 0.000 0.852 424 N CB -0.299 38.212 38.487 0.040 0.000 1.018 424 N HN 0.353 nan 8.380 nan 0.000 0.423 425 S N 0.422 116.139 115.700 0.028 0.000 2.402 425 S HA -0.056 4.415 4.470 0.002 0.000 0.233 425 S C 2.023 176.660 174.600 0.061 0.000 1.030 425 S CA 0.700 58.919 58.200 0.032 0.000 1.003 425 S CB -0.164 63.025 63.200 -0.019 0.000 0.813 425 S HN 0.322 nan 8.310 nan 0.000 0.477 426 I N 0.883 121.506 120.570 0.089 0.000 2.333 426 I HA -0.082 4.089 4.170 0.002 0.000 0.246 426 I C 2.698 178.975 176.117 0.266 0.000 1.106 426 I CA 0.939 62.348 61.300 0.183 0.000 1.411 426 I CB -0.552 37.603 38.000 0.257 0.000 1.082 426 I HN 0.347 nan 8.210 nan 0.000 0.420 427 A N 0.908 123.908 122.820 0.301 0.000 1.940 427 A HA -0.204 4.118 4.320 0.002 0.000 0.219 427 A C 2.525 180.191 177.584 0.136 0.000 1.176 427 A CA 1.878 54.106 52.037 0.318 0.000 0.631 427 A CB -0.739 18.422 19.000 0.267 0.000 0.814 427 A HN 0.443 nan 8.150 nan 0.000 0.446 428 A N -0.400 122.488 122.820 0.115 0.000 1.908 428 A HA -0.063 4.259 4.320 0.002 0.000 0.218 428 A C 2.122 179.754 177.584 0.079 0.000 1.181 428 A CA 1.814 53.897 52.037 0.075 0.000 0.627 428 A CB -0.643 18.393 19.000 0.059 0.000 0.818 428 A HN 0.728 nan 8.150 nan 0.000 0.445 429 L N -0.059 121.225 121.223 0.101 0.000 1.989 429 L HA -0.105 4.236 4.340 0.002 0.000 0.211 429 L C 2.681 179.626 176.870 0.126 0.000 1.071 429 L CA 2.344 57.245 54.840 0.102 0.000 0.749 429 L CB -1.257 40.873 42.059 0.117 0.000 0.890 429 L HN 0.385 nan 8.230 nan 0.000 0.431 430 A N -0.222 122.698 122.820 0.166 0.000 1.859 430 A HA -0.341 3.981 4.320 0.002 0.000 0.218 430 A C 2.339 179.997 177.584 0.123 0.000 1.209 430 A CA 2.659 54.792 52.037 0.160 0.000 0.639 430 A CB -0.805 18.259 19.000 0.106 0.000 0.835 430 A HN 0.564 nan 8.150 nan 0.000 0.450 431 K N -0.690 119.746 120.400 0.059 0.000 2.074 431 K HA -0.155 4.166 4.320 0.002 0.000 0.209 431 K C 2.472 179.152 176.600 0.133 0.000 1.048 431 K CA 1.532 57.871 56.287 0.087 0.000 0.926 431 K CB -0.277 32.251 32.500 0.047 0.000 0.713 431 K HN 0.482 nan 8.250 nan 0.000 0.444 432 S N 0.844 116.604 115.700 0.100 0.000 2.383 432 S HA -0.104 4.367 4.470 0.002 0.000 0.227 432 S C 1.864 176.520 174.600 0.093 0.000 1.026 432 S CA 0.732 58.981 58.200 0.082 0.000 0.981 432 S CB -0.131 63.100 63.200 0.051 0.000 0.818 432 S HN 0.223 nan 8.310 nan 0.000 0.472 433 L N 0.646 121.939 121.223 0.116 0.000 1.976 433 L HA 0.021 4.362 4.340 0.002 0.000 0.209 433 L C 2.025 178.978 176.870 0.138 0.000 1.071 433 L CA 2.124 57.031 54.840 0.110 0.000 0.746 433 L CB -1.297 40.843 42.059 0.136 0.000 0.890 433 L HN 0.435 nan 8.230 nan 0.000 0.432 434 Y N 0.575 120.930 120.300 0.093 0.000 2.102 434 Y HA -0.366 4.186 4.550 0.002 0.000 0.280 434 Y C 2.499 178.447 175.900 0.080 0.000 1.178 434 Y CA 2.338 60.504 58.100 0.110 0.000 1.146 434 Y CB -0.568 37.969 38.460 0.129 0.000 0.968 434 Y HN 0.519 nan 8.280 nan 0.000 0.504 435 D N -0.894 119.601 120.400 0.158 0.000 2.104 435 D HA -0.199 4.442 4.640 0.002 0.000 0.194 435 D C 2.143 178.474 176.300 0.051 0.000 0.994 435 D CA 1.835 55.885 54.000 0.084 0.000 0.830 435 D CB -0.062 40.792 40.800 0.090 0.000 0.959 435 D HN 0.329 nan 8.370 nan 0.000 0.452 436 R N -0.661 119.862 120.500 0.039 0.000 2.090 436 R HA 0.011 4.352 4.340 0.002 0.000 0.228 436 R C 2.542 178.853 176.300 0.019 0.000 1.110 436 R CA 0.920 57.037 56.100 0.029 0.000 0.973 436 R CB -0.270 30.038 30.300 0.014 0.000 0.869 436 R HN 0.314 nan 8.270 nan 0.000 0.440 437 M N -0.185 119.393 119.600 -0.037 0.000 2.108 437 M HA -0.184 4.297 4.480 0.002 0.000 0.261 437 M C 1.959 178.169 176.300 -0.149 0.000 1.066 437 M CA 1.684 56.930 55.300 -0.090 0.000 1.107 437 M CB -0.224 32.262 32.600 -0.190 0.000 1.356 437 M HN 0.091 nan 8.290 nan 0.000 0.406 438 F N 1.127 120.855 119.950 -0.371 0.000 2.146 438 F HA -0.195 4.334 4.527 0.002 0.000 0.298 438 F C 2.137 177.765 175.800 -0.286 0.000 1.096 438 F CA 1.417 59.165 58.000 -0.419 0.000 1.275 438 F CB -0.262 38.480 39.000 -0.430 0.000 1.008 438 F HN 0.168 nan 8.300 nan 0.000 0.480 439 N N -0.249 118.436 118.700 -0.025 0.000 2.058 439 N HA -0.258 4.483 4.740 0.002 0.000 0.191 439 N C 1.695 177.103 175.510 -0.170 0.000 1.037 439 N CA 1.665 54.666 53.050 -0.081 0.000 0.848 439 N CB -1.252 37.238 38.487 0.005 0.000 1.021 439 N HN 0.479 nan 8.380 nan 0.000 0.422 440 W N 2.268 123.431 121.300 -0.228 0.000 2.317 440 W HA -0.161 4.500 4.660 0.002 0.000 0.318 440 W C 2.219 178.556 176.519 -0.304 0.000 1.227 440 W CA 1.066 58.270 57.345 -0.235 0.000 1.269 440 W CB -0.818 28.515 29.460 -0.211 0.000 1.155 440 W HN 0.070 nan 8.180 nan 0.000 0.484 441 L N 0.330 121.286 121.223 -0.445 0.000 2.137 441 L HA -0.221 4.120 4.340 0.002 0.000 0.213 441 L C 2.078 178.532 176.870 -0.694 0.000 1.085 441 L CA 2.131 56.581 54.840 -0.650 0.000 0.760 441 L CB -1.101 40.544 42.059 -0.689 0.000 0.893 441 L HN -0.007 nan 8.230 nan 0.000 0.434 442 V N -0.957 118.559 119.914 -0.663 0.000 2.535 442 V HA -0.116 4.006 4.120 0.002 0.000 0.246 442 V C 2.617 178.461 176.094 -0.417 0.000 1.045 442 V CA 1.315 63.297 62.300 -0.531 0.000 1.058 442 V CB -0.536 30.990 31.823 -0.495 0.000 0.689 442 V HN 0.401 nan 8.190 nan 0.000 0.461 443 R N -0.252 119.976 120.500 -0.453 0.000 2.159 443 R HA -0.123 4.219 4.340 0.002 0.000 0.237 443 R C 2.554 178.605 176.300 -0.414 0.000 1.131 443 R CA 1.065 56.934 56.100 -0.384 0.000 0.982 443 R CB -0.150 29.918 30.300 -0.386 0.000 0.868 443 R HN 0.378 nan 8.270 nan 0.000 0.453 444 R N 0.054 120.200 120.500 -0.589 0.000 2.057 444 R HA -0.083 4.259 4.340 0.002 0.000 0.229 444 R C 2.412 178.675 176.300 -0.062 0.000 1.136 444 R CA 1.575 57.411 56.100 -0.439 0.000 0.952 444 R CB -1.145 28.738 30.300 -0.695 0.000 0.848 444 R HN 0.243 nan 8.270 nan 0.000 0.430 445 V N 0.477 120.303 119.914 -0.148 0.000 2.392 445 V HA -0.203 3.918 4.120 0.002 0.000 0.249 445 V C 1.851 177.887 176.094 -0.095 0.000 1.059 445 V CA 1.888 64.123 62.300 -0.108 0.000 1.051 445 V CB -0.681 31.042 31.823 -0.166 0.000 0.658 445 V HN 0.117 nan 8.190 nan 0.000 0.455 446 N N 0.369 118.991 118.700 -0.129 0.000 2.223 446 N HA -0.159 4.582 4.740 0.002 0.000 0.185 446 N C 2.028 177.493 175.510 -0.074 0.000 1.016 446 N CA 1.856 54.843 53.050 -0.106 0.000 0.863 446 N CB -0.276 38.134 38.487 -0.128 0.000 0.983 446 N HN 0.688 nan 8.380 nan 0.000 0.429 447 Q N -0.390 119.377 119.800 -0.056 0.000 2.123 447 Q HA -0.001 4.341 4.340 0.002 0.000 0.199 447 Q C 1.632 177.645 176.000 0.022 0.000 0.966 447 Q CA 1.042 56.844 55.803 -0.002 0.000 0.845 447 Q CB -0.023 28.738 28.738 0.039 0.000 0.907 447 Q HN 0.206 nan 8.270 nan 0.000 0.439 448 T N 0.537 115.104 114.554 0.021 0.000 2.977 448 T HA -0.025 4.326 4.350 0.002 0.000 0.271 448 T C 1.463 176.123 174.700 -0.067 0.000 1.105 448 T CA 0.742 62.806 62.100 -0.060 0.000 1.116 448 T CB 0.077 68.866 68.868 -0.130 0.000 0.878 448 T HN 0.158 nan 8.240 nan 0.000 0.509 449 L N -0.297 120.891 121.223 -0.057 0.000 2.470 449 L HA 0.228 4.570 4.340 0.002 0.000 0.219 449 L C 0.939 177.778 176.870 -0.052 0.000 1.071 449 L CA -0.092 54.714 54.840 -0.057 0.000 0.850 449 L CB -0.028 41.998 42.059 -0.056 0.000 1.040 449 L HN 0.075 nan 8.230 nan 0.000 0.475 450 D N 1.830 122.199 120.400 -0.053 0.000 2.520 450 D HA -0.011 4.630 4.640 0.002 0.000 0.243 450 D C -0.256 176.013 176.300 -0.052 0.000 1.160 450 D CA 0.602 54.567 54.000 -0.058 0.000 0.877 450 D CB 0.879 41.645 40.800 -0.057 0.000 1.150 450 D HN 0.002 nan 8.370 nan 0.000 0.494 451 T N 3.343 117.863 114.554 -0.057 0.000 2.948 451 T HA 0.225 4.577 4.350 0.002 0.000 0.285 451 T C 1.522 176.192 174.700 -0.050 0.000 1.019 451 T CA -0.846 61.224 62.100 -0.050 0.000 1.013 451 T CB 1.614 70.452 68.868 -0.050 0.000 1.117 451 T HN 0.252 nan 8.240 nan 0.000 0.533 452 K N 0.910 121.285 120.400 -0.041 0.000 2.026 452 K HA 0.101 4.423 4.320 0.002 0.000 0.208 452 K C 1.381 177.956 176.600 -0.042 0.000 1.048 452 K CA 0.851 57.116 56.287 -0.038 0.000 0.929 452 K CB -0.433 32.049 32.500 -0.029 0.000 0.713 452 K HN 0.700 nan 8.250 nan 0.000 0.439 453 A N 2.343 125.139 122.820 -0.040 0.000 2.664 453 A HA -0.147 4.175 4.320 0.002 0.000 0.228 453 A C 0.134 177.687 177.584 -0.051 0.000 1.091 453 A CA 0.447 52.461 52.037 -0.039 0.000 0.793 453 A CB -0.083 18.896 19.000 -0.035 0.000 1.003 453 A HN 0.307 nan 8.150 nan 0.000 0.510 454 K N 0.447 120.821 120.400 -0.043 0.000 2.130 454 K HA 0.444 4.766 4.320 0.002 0.000 0.268 454 K C -0.219 176.348 176.600 -0.055 0.000 0.983 454 K CA -0.409 55.845 56.287 -0.055 0.000 0.893 454 K CB 0.658 33.131 32.500 -0.046 0.000 1.066 454 K HN 0.731 nan 8.250 nan 0.000 0.450 455 R N 2.421 122.872 120.500 -0.082 0.000 2.474 455 R HA 0.152 4.494 4.340 0.002 0.000 0.295 455 R C 0.093 176.355 176.300 -0.063 0.000 0.980 455 R CA -0.695 55.376 56.100 -0.049 0.000 0.934 455 R CB 1.633 31.822 30.300 -0.184 0.000 1.101 455 R HN 0.587 nan 8.270 nan 0.000 0.469 456 Q N 1.119 120.864 119.800 -0.092 0.000 2.577 456 Q HA 0.293 4.634 4.340 0.002 0.000 0.242 456 Q C -0.827 174.840 176.000 -0.556 0.000 0.818 456 Q CA 0.991 56.519 55.803 -0.458 0.000 0.962 456 Q CB 0.739 29.004 28.738 -0.789 0.000 1.272 456 Q HN 0.472 nan 8.270 nan 0.000 0.593 457 F N -0.664 119.435 119.950 0.249 0.000 2.790 457 F HA 0.669 5.198 4.527 0.002 0.000 0.337 457 F C -0.742 175.272 175.800 0.356 0.000 1.163 457 F CA -1.429 56.675 58.000 0.173 0.000 0.997 457 F CB 1.318 40.336 39.000 0.030 0.000 1.437 457 F HN -0.042 nan 8.300 nan 0.000 0.512 458 F N -0.835 119.330 119.950 0.359 0.000 2.719 458 F HA 0.781 5.309 4.527 0.002 0.000 0.309 458 F C -2.120 173.712 175.800 0.052 0.000 1.138 458 F CA -1.676 56.404 58.000 0.133 0.000 0.943 458 F CB 1.153 39.973 39.000 -0.300 0.000 1.304 458 F HN 0.296 nan 8.300 nan 0.000 0.445 459 I N 2.383 123.133 120.570 0.300 0.000 2.448 459 I HA 0.570 4.741 4.170 0.002 0.000 0.281 459 I C 0.236 176.446 176.117 0.154 0.000 1.027 459 I CA -0.764 60.600 61.300 0.106 0.000 1.111 459 I CB 1.494 39.367 38.000 -0.212 0.000 1.236 459 I HN 0.998 nan 8.210 nan 0.000 0.452 460 G N 5.141 114.033 108.800 0.152 0.000 2.451 460 G HA2 0.618 4.580 3.960 0.002 0.000 0.303 460 G HA3 0.618 4.580 3.960 0.002 0.000 0.303 460 G C -0.780 174.092 174.900 -0.046 0.000 1.166 460 G CA -0.341 44.540 45.100 -0.365 0.000 0.884 460 G HN 0.296 nan 8.290 nan 0.000 0.514 461 V N 1.687 121.566 119.914 -0.057 0.000 2.487 461 V HA 0.431 4.552 4.120 0.002 0.000 0.298 461 V C -0.467 175.831 176.094 0.341 0.000 1.028 461 V CA -0.732 61.682 62.300 0.190 0.000 0.860 461 V CB 1.305 33.219 31.823 0.152 0.000 0.991 461 V HN 0.664 nan 8.190 nan 0.000 0.427 462 L N 4.173 125.629 121.223 0.388 0.000 2.325 462 L HA 0.767 5.109 4.340 0.002 0.000 0.278 462 L C -0.652 176.311 176.870 0.155 0.000 1.023 462 L CA 0.335 55.371 54.840 0.327 0.000 0.811 462 L CB 1.712 43.851 42.059 0.133 0.000 1.249 462 L HN 0.766 nan 8.230 nan 0.000 0.431 463 D N 5.011 125.471 120.400 0.100 0.000 2.788 463 D HA 0.443 5.084 4.640 0.002 0.000 0.247 463 D C -1.543 174.729 176.300 -0.047 0.000 1.236 463 D CA -0.156 53.859 54.000 0.025 0.000 0.898 463 D CB 1.820 42.628 40.800 0.013 0.000 1.401 463 D HN 0.609 nan 8.370 nan 0.000 0.549 464 I N 1.381 121.920 120.570 -0.053 0.000 3.102 464 I HA 0.577 4.749 4.170 0.002 0.000 0.310 464 I C -0.824 175.255 176.117 -0.064 0.000 1.246 464 I CA -0.791 60.456 61.300 -0.087 0.000 0.979 464 I CB 2.094 40.051 38.000 -0.070 0.000 1.267 464 I HN 0.488 nan 8.210 nan 0.000 0.451 465 A N 2.966 125.744 122.820 -0.071 0.000 2.492 465 A HA 0.556 4.878 4.320 0.002 0.000 0.254 465 A C 0.397 177.973 177.584 -0.013 0.000 1.091 465 A CA 0.457 52.471 52.037 -0.038 0.000 0.768 465 A CB -0.394 18.581 19.000 -0.041 0.000 1.028 465 A HN 0.877 nan 8.150 nan 0.000 0.498 466 G N 0.612 109.423 108.800 0.018 0.000 2.616 466 G HA2 0.413 4.375 3.960 0.002 0.000 0.268 466 G HA3 0.413 4.375 3.960 0.002 0.000 0.268 466 G C -0.159 174.770 174.900 0.048 0.000 1.213 466 G CA -0.668 44.468 45.100 0.061 0.000 0.926 466 G HN 0.659 nan 8.290 nan 0.000 0.523 467 F N 0.564 120.495 119.950 -0.031 0.000 2.608 467 F HA 0.130 4.658 4.527 0.002 0.000 0.380 467 F C 0.983 176.705 175.800 -0.131 0.000 1.083 467 F CA 0.605 58.543 58.000 -0.102 0.000 1.266 467 F CB 0.472 39.383 39.000 -0.149 0.000 1.076 467 F HN 0.354 nan 8.300 nan 0.000 0.574 468 E N 6.695 126.601 120.200 -0.490 0.000 2.195 468 E HA 0.557 4.909 4.350 0.002 0.000 0.271 468 E C -0.911 175.401 176.600 -0.479 0.000 0.923 468 E CA -0.764 55.371 56.400 -0.442 0.000 0.790 468 E CB 2.450 31.687 29.700 -0.772 0.000 1.155 468 E HN 0.474 nan 8.360 nan 0.000 0.402 469 I N 3.509 123.914 120.570 -0.275 0.000 2.560 469 I HA 0.307 4.479 4.170 0.002 0.000 0.283 469 I C -0.774 175.396 176.117 0.088 0.000 1.115 469 I CA -0.343 60.880 61.300 -0.127 0.000 1.066 469 I CB 0.684 38.751 38.000 0.112 0.000 1.221 469 I HN 0.420 nan 8.210 nan 0.000 0.450 470 F N 2.880 122.818 119.950 -0.019 0.000 2.535 470 F HA 0.385 4.913 4.527 0.002 0.000 0.367 470 F C 1.246 177.051 175.800 0.008 0.000 1.096 470 F CA -1.064 56.939 58.000 0.005 0.000 1.088 470 F CB 1.140 40.162 39.000 0.037 0.000 1.387 470 F HN 0.365 nan 8.300 nan 0.000 0.494 471 D N 0.033 120.591 120.400 0.264 0.000 2.269 471 D HA -0.071 4.571 4.640 0.002 0.000 0.208 471 D C -0.374 176.076 176.300 0.249 0.000 0.963 471 D CA 1.451 55.554 54.000 0.172 0.000 0.864 471 D CB 0.194 41.067 40.800 0.123 0.000 0.936 471 D HN 0.133 nan 8.370 nan 0.000 0.505 472 F N 2.060 122.102 119.950 0.152 0.000 2.771 472 F HA 0.267 4.796 4.527 0.002 0.000 0.365 472 F C -1.045 174.887 175.800 0.219 0.000 1.169 472 F CA -1.060 57.029 58.000 0.148 0.000 1.093 472 F CB 0.561 39.646 39.000 0.141 0.000 1.363 472 F HN -0.338 nan 8.300 nan 0.000 0.496 473 N N 4.331 122.846 118.700 -0.308 0.000 2.426 473 N HA 0.298 5.039 4.740 0.002 0.000 0.275 473 N C -0.553 174.827 175.510 -0.217 0.000 1.019 473 N CA -0.201 52.714 53.050 -0.225 0.000 0.941 473 N CB 2.062 40.389 38.487 -0.266 0.000 1.123 473 N HN 0.543 nan 8.380 nan 0.000 0.486 474 S N 0.728 116.381 115.700 -0.078 0.000 2.855 474 S HA 0.338 4.810 4.470 0.002 0.000 0.308 474 S C 0.771 175.394 174.600 0.038 0.000 1.077 474 S CA -0.589 57.703 58.200 0.152 0.000 0.896 474 S CB 0.268 63.566 63.200 0.164 0.000 1.339 474 S HN 0.417 nan 8.310 nan 0.000 0.602 475 F N 1.886 121.482 119.950 -0.589 0.000 2.287 475 F HA -0.027 4.502 4.527 0.002 0.000 0.301 475 F C 1.660 177.103 175.800 -0.594 0.000 1.069 475 F CA 2.053 59.266 58.000 -1.311 0.000 1.372 475 F CB -0.329 37.687 39.000 -1.640 0.000 1.056 475 F HN 0.586 nan 8.300 nan 0.000 0.523 476 E N -0.332 119.643 120.200 -0.376 0.000 2.076 476 E HA -0.152 4.199 4.350 0.002 0.000 0.190 476 E C 2.082 178.505 176.600 -0.294 0.000 0.979 476 E CA 1.040 57.258 56.400 -0.303 0.000 0.807 476 E CB -0.370 29.293 29.700 -0.061 0.000 0.761 476 E HN 0.311 nan 8.360 nan 0.000 0.454 477 Q N 0.347 120.013 119.800 -0.224 0.000 2.050 477 Q HA -0.111 4.230 4.340 0.002 0.000 0.202 477 Q C 2.124 177.982 176.000 -0.236 0.000 0.980 477 Q CA 0.880 56.538 55.803 -0.242 0.000 0.840 477 Q CB -0.403 28.240 28.738 -0.157 0.000 0.898 477 Q HN 0.227 nan 8.270 nan 0.000 0.424 478 L N -0.297 120.740 121.223 -0.310 0.000 2.042 478 L HA -0.217 4.125 4.340 0.002 0.000 0.210 478 L C 1.951 178.625 176.870 -0.327 0.000 1.076 478 L CA 1.789 56.364 54.840 -0.442 0.000 0.749 478 L CB -0.708 40.977 42.059 -0.623 0.000 0.893 478 L HN 0.307 nan 8.230 nan 0.000 0.432 479 C N -0.524 118.500 119.300 -0.460 0.000 2.429 479 C HA -0.139 4.322 4.460 0.002 0.000 0.277 479 C C 2.719 177.690 174.990 -0.032 0.000 1.262 479 C CA 0.970 59.774 59.018 -0.357 0.000 1.733 479 C CB -0.936 26.574 27.740 -0.382 0.000 2.010 479 C HN 0.593 nan 8.230 nan 0.000 0.483 480 I N 1.317 121.818 120.570 -0.115 0.000 2.252 480 I HA -0.158 4.014 4.170 0.002 0.000 0.245 480 I C 2.081 178.070 176.117 -0.212 0.000 1.102 480 I CA 1.294 62.520 61.300 -0.124 0.000 1.385 480 I CB -0.461 37.422 38.000 -0.195 0.000 1.064 480 I HN 0.393 nan 8.210 nan 0.000 0.414 481 N N 0.217 118.684 118.700 -0.390 0.000 2.188 481 N HA -0.232 4.510 4.740 0.002 0.000 0.184 481 N C 1.753 177.270 175.510 0.012 0.000 1.018 481 N CA 1.093 53.793 53.050 -0.583 0.000 0.858 481 N CB -0.520 37.348 38.487 -1.032 0.000 0.989 481 N HN 0.366 nan 8.380 nan 0.000 0.426 482 Y N 1.989 122.262 120.300 -0.046 0.000 2.181 482 Y HA -0.131 4.420 4.550 0.002 0.000 0.288 482 Y C 2.125 178.096 175.900 0.118 0.000 1.146 482 Y CA 1.331 59.479 58.100 0.079 0.000 1.164 482 Y CB -0.806 37.617 38.460 -0.061 0.000 0.982 482 Y HN -0.040 nan 8.280 nan 0.000 0.515 483 T N 1.078 115.638 114.554 0.009 0.000 2.737 483 T HA -0.161 4.190 4.350 0.002 0.000 0.265 483 T C 1.817 176.532 174.700 0.025 0.000 1.038 483 T CA 1.486 63.541 62.100 -0.076 0.000 1.144 483 T CB -0.284 68.573 68.868 -0.017 0.000 0.866 483 T HN 0.420 nan 8.240 nan 0.000 0.434 484 N N 0.673 119.444 118.700 0.119 0.000 2.120 484 N HA -0.118 4.623 4.740 0.002 0.000 0.188 484 N C 1.995 177.712 175.510 0.344 0.000 1.024 484 N CA 1.112 54.312 53.050 0.251 0.000 0.852 484 N CB -0.229 38.505 38.487 0.412 0.000 1.003 484 N HN 0.419 nan 8.380 nan 0.000 0.424 485 E N 1.394 121.867 120.200 0.455 0.000 2.097 485 E HA -0.128 4.224 4.350 0.002 0.000 0.196 485 E C 1.764 178.529 176.600 0.274 0.000 1.000 485 E CA 1.330 58.019 56.400 0.480 0.000 0.804 485 E CB 0.039 30.080 29.700 0.567 0.000 0.740 485 E HN 0.266 nan 8.360 nan 0.000 0.454 486 R N -0.469 120.148 120.500 0.194 0.000 2.235 486 R HA 0.019 4.361 4.340 0.002 0.000 0.213 486 R C 2.250 178.644 176.300 0.157 0.000 1.059 486 R CA 0.726 56.918 56.100 0.154 0.000 0.997 486 R CB -0.070 30.257 30.300 0.046 0.000 0.884 486 R HN 0.277 nan 8.270 nan 0.000 0.462 487 L N -0.117 121.179 121.223 0.122 0.000 2.162 487 L HA -0.078 4.263 4.340 0.002 0.000 0.205 487 L C 2.495 179.499 176.870 0.224 0.000 1.086 487 L CA 0.683 55.608 54.840 0.141 0.000 0.778 487 L CB -0.165 41.944 42.059 0.083 0.000 0.928 487 L HN 0.059 nan 8.230 nan 0.000 0.446 488 Q N 0.491 120.330 119.800 0.065 0.000 2.119 488 Q HA -0.250 4.092 4.340 0.002 0.000 0.201 488 Q C 2.082 178.142 176.000 0.099 0.000 0.972 488 Q CA 1.704 57.444 55.803 -0.105 0.000 0.847 488 Q CB -0.178 28.100 28.738 -0.766 0.000 0.903 488 Q HN 0.424 nan 8.270 nan 0.000 0.433 489 Q N -1.095 118.798 119.800 0.154 0.000 2.050 489 Q HA -0.193 4.148 4.340 0.002 0.000 0.202 489 Q C 1.893 178.083 176.000 0.318 0.000 0.980 489 Q CA 1.620 57.557 55.803 0.223 0.000 0.840 489 Q CB -0.405 28.476 28.738 0.239 0.000 0.898 489 Q HN 0.489 nan 8.270 nan 0.000 0.424 490 F N 0.716 120.778 119.950 0.186 0.000 2.091 490 F HA -0.285 4.244 4.527 0.002 0.000 0.299 490 F C 1.813 177.731 175.800 0.196 0.000 1.103 490 F CA 1.902 59.969 58.000 0.112 0.000 1.228 490 F CB -0.693 38.224 39.000 -0.138 0.000 0.984 490 F HN 0.252 nan 8.300 nan 0.000 0.477 491 F N 1.416 121.369 119.950 0.005 0.000 2.075 491 F HA -0.198 4.331 4.527 0.002 0.000 0.297 491 F C 2.206 177.900 175.800 -0.177 0.000 1.113 491 F CA 2.161 60.000 58.000 -0.269 0.000 1.218 491 F CB -1.026 37.754 39.000 -0.366 0.000 0.984 491 F HN -0.066 nan 8.300 nan 0.000 0.472 492 N N -0.250 118.458 118.700 0.012 0.000 2.060 492 N HA -0.292 4.449 4.740 0.002 0.000 0.195 492 N C 1.818 177.358 175.510 0.050 0.000 1.028 492 N CA 1.886 54.949 53.050 0.021 0.000 0.861 492 N CB -0.805 37.784 38.487 0.171 0.000 1.029 492 N HN 0.541 nan 8.380 nan 0.000 0.428 493 H N -0.800 118.272 119.070 0.002 0.000 2.321 493 H HA -0.091 4.467 4.556 0.002 0.000 0.300 493 H C 2.105 177.412 175.328 -0.035 0.000 1.087 493 H CA 2.137 58.216 56.048 0.053 0.000 1.319 493 H CB -0.396 29.449 29.762 0.138 0.000 1.379 493 H HN 0.385 nan 8.280 nan 0.000 0.501 494 H N -0.421 118.416 119.070 -0.389 0.000 2.352 494 H HA -0.151 4.406 4.556 0.002 0.000 0.299 494 H C 2.499 177.518 175.328 -0.515 0.000 1.097 494 H CA 2.121 57.861 56.048 -0.513 0.000 1.311 494 H CB -0.324 29.105 29.762 -0.555 0.000 1.377 494 H HN 0.430 nan 8.280 nan 0.000 0.504 495 M N -1.141 118.099 119.600 -0.601 0.000 2.117 495 M HA -0.154 4.327 4.480 0.002 0.000 0.262 495 M C 1.878 178.062 176.300 -0.193 0.000 1.065 495 M CA 1.742 56.739 55.300 -0.504 0.000 1.114 495 M CB -0.239 32.012 32.600 -0.581 0.000 1.361 495 M HN 0.381 nan 8.290 nan 0.000 0.408 496 F N 0.429 120.300 119.950 -0.131 0.000 2.069 496 F HA -0.222 4.306 4.527 0.002 0.000 0.298 496 F C 1.864 177.370 175.800 -0.490 0.000 1.113 496 F CA 1.918 59.776 58.000 -0.236 0.000 1.214 496 F CB -0.730 38.044 39.000 -0.376 0.000 0.978 496 F HN -0.081 nan 8.300 nan 0.000 0.474 497 V N 0.755 120.284 119.914 -0.642 0.000 2.594 497 V HA -0.288 3.833 4.120 0.002 0.000 0.253 497 V C 2.412 178.088 176.094 -0.696 0.000 1.069 497 V CA 1.785 63.653 62.300 -0.721 0.000 1.082 497 V CB -0.757 30.717 31.823 -0.582 0.000 0.680 497 V HN 0.415 nan 8.190 nan 0.000 0.469 498 L N -0.856 119.976 121.223 -0.651 0.000 2.202 498 L HA 0.028 4.369 4.340 0.002 0.000 0.205 498 L C 2.609 179.213 176.870 -0.444 0.000 1.083 498 L CA 0.800 55.330 54.840 -0.517 0.000 0.790 498 L CB -0.437 41.332 42.059 -0.485 0.000 0.942 498 L HN 0.251 nan 8.230 nan 0.000 0.452 499 E N 0.079 119.981 120.200 -0.497 0.000 2.208 499 E HA -0.201 4.150 4.350 0.002 0.000 0.193 499 E C 2.000 178.014 176.600 -0.976 0.000 0.988 499 E CA 0.765 56.900 56.400 -0.442 0.000 0.828 499 E CB 0.042 29.606 29.700 -0.226 0.000 0.763 499 E HN 0.507 nan 8.360 nan 0.000 0.478 500 Q N 0.509 119.446 119.800 -1.439 0.000 2.079 500 Q HA -0.159 4.183 4.340 0.002 0.000 0.200 500 Q C 2.039 177.578 176.000 -0.768 0.000 0.974 500 Q CA 1.252 56.056 55.803 -1.665 0.000 0.840 500 Q CB 0.057 27.836 28.738 -1.598 0.000 0.898 500 Q HN 0.228 nan 8.270 nan 0.000 0.430 501 E N 0.021 119.885 120.200 -0.559 0.000 2.150 501 E HA -0.230 4.122 4.350 0.002 0.000 0.193 501 E C 1.668 178.160 176.600 -0.180 0.000 0.985 501 E CA 1.073 57.281 56.400 -0.319 0.000 0.814 501 E CB 0.177 29.701 29.700 -0.292 0.000 0.752 501 E HN 0.186 nan 8.360 nan 0.000 0.466 502 E N -0.508 119.611 120.200 -0.135 0.000 2.028 502 E HA -0.175 4.177 4.350 0.002 0.000 0.191 502 E C 1.532 178.223 176.600 0.152 0.000 0.988 502 E CA 1.284 57.711 56.400 0.045 0.000 0.799 502 E CB -0.321 29.456 29.700 0.129 0.000 0.755 502 E HN 0.335 nan 8.360 nan 0.000 0.447 503 Y N 0.835 121.098 120.300 -0.061 0.000 2.256 503 Y HA -0.119 4.433 4.550 0.002 0.000 0.288 503 Y C 2.196 178.033 175.900 -0.105 0.000 1.155 503 Y CA 1.482 59.560 58.100 -0.037 0.000 1.203 503 Y CB -0.225 38.324 38.460 0.148 0.000 0.980 503 Y HN 0.056 nan 8.280 nan 0.000 0.530 504 K N 0.615 121.032 120.400 0.028 0.000 2.296 504 K HA -0.132 4.190 4.320 0.002 0.000 0.200 504 K C 2.089 178.663 176.600 -0.044 0.000 1.048 504 K CA 0.773 57.043 56.287 -0.029 0.000 0.966 504 K CB -0.012 32.438 32.500 -0.083 0.000 0.754 504 K HN 0.173 nan 8.250 nan 0.000 0.466 505 K N 0.431 120.808 120.400 -0.038 0.000 2.288 505 K HA -0.061 4.260 4.320 0.002 0.000 0.201 505 K C 0.739 177.317 176.600 -0.035 0.000 1.048 505 K CA 1.004 57.272 56.287 -0.033 0.000 0.956 505 K CB 0.373 32.862 32.500 -0.019 0.000 0.746 505 K HN 0.084 nan 8.250 nan 0.000 0.461 506 E N -0.624 119.538 120.200 -0.064 0.000 2.538 506 E HA 0.078 4.430 4.350 0.002 0.000 0.207 506 E C 0.326 176.830 176.600 -0.159 0.000 1.002 506 E CA 0.419 56.752 56.400 -0.112 0.000 0.952 506 E CB 1.183 30.779 29.700 -0.173 0.000 1.031 506 E HN 0.475 nan 8.360 nan 0.000 0.476 507 G N 2.258 110.989 108.800 -0.115 0.000 2.221 507 G HA2 -0.284 3.677 3.960 0.002 0.000 0.265 507 G HA3 -0.284 3.677 3.960 0.002 0.000 0.265 507 G C 0.273 175.088 174.900 -0.141 0.000 1.041 507 G CA 0.311 45.350 45.100 -0.100 0.000 0.807 507 G HN 0.255 nan 8.290 nan 0.000 0.502 508 I N -0.290 120.171 120.570 -0.181 0.000 2.566 508 I HA 0.310 4.481 4.170 0.002 0.000 0.303 508 I C 0.972 177.117 176.117 0.048 0.000 0.983 508 I CA -1.112 60.063 61.300 -0.208 0.000 1.235 508 I CB 1.829 39.478 38.000 -0.586 0.000 1.386 508 I HN -0.144 nan 8.210 nan 0.000 0.494 509 V N 5.466 125.410 119.914 0.050 0.000 2.403 509 V HA -0.055 4.067 4.120 0.002 0.000 0.265 509 V C -0.162 176.082 176.094 0.251 0.000 1.034 509 V CA 0.023 62.392 62.300 0.116 0.000 1.036 509 V CB 0.085 31.922 31.823 0.024 0.000 1.032 509 V HN 0.589 nan 8.190 nan 0.000 0.478 510 W N 7.136 128.474 121.300 0.064 0.000 2.358 510 W HA 0.329 4.990 4.660 0.002 0.000 0.307 510 W C 0.181 176.663 176.519 -0.063 0.000 1.203 510 W CA -0.680 56.663 57.345 -0.003 0.000 1.279 510 W CB 0.935 30.343 29.460 -0.085 0.000 1.264 510 W HN 0.734 nan 8.180 nan 0.000 0.474 511 E N 6.406 126.148 120.200 -0.763 0.000 3.588 511 E HA 0.290 4.641 4.350 0.002 0.000 0.213 511 E C -1.367 174.555 176.600 -1.130 0.000 1.168 511 E CA -0.418 55.543 56.400 -0.732 0.000 1.254 511 E CB -0.004 29.339 29.700 -0.594 0.000 1.302 511 E HN 0.210 nan 8.360 nan 0.000 0.429 512 F N 0.744 120.256 119.950 -0.729 0.000 2.619 512 F HA 0.447 4.976 4.527 0.002 0.000 0.308 512 F C -0.301 175.455 175.800 -0.073 0.000 1.097 512 F CA -1.341 56.388 58.000 -0.451 0.000 0.953 512 F CB 2.087 40.656 39.000 -0.719 0.000 1.287 512 F HN 0.169 nan 8.300 nan 0.000 0.446 513 I N 2.018 122.655 120.570 0.113 0.000 2.499 513 I HA 0.193 4.365 4.170 0.002 0.000 0.296 513 I C 0.032 175.813 176.117 -0.561 0.000 0.992 513 I CA -0.425 60.819 61.300 -0.094 0.000 1.297 513 I CB 0.864 38.829 38.000 -0.058 0.000 1.410 513 I HN 0.531 nan 8.210 nan 0.000 0.507 514 D N 5.144 124.914 120.400 -1.051 0.000 2.752 514 D HA -0.182 4.460 4.640 0.002 0.000 0.225 514 D C 0.757 176.579 176.300 -0.796 0.000 1.104 514 D CA 0.664 53.622 54.000 -1.737 0.000 0.832 514 D CB 0.462 40.775 40.800 -0.811 0.000 1.161 514 D HN 0.353 nan 8.370 nan 0.000 0.505 515 F N 2.420 122.073 119.950 -0.495 0.000 2.333 515 F HA 0.016 4.544 4.527 0.002 0.000 0.300 515 F C 2.518 178.274 175.800 -0.073 0.000 1.083 515 F CA 0.848 58.760 58.000 -0.147 0.000 1.395 515 F CB -0.812 38.165 39.000 -0.039 0.000 1.056 515 F HN 0.532 nan 8.300 nan 0.000 0.529 516 G N 0.430 109.285 108.800 0.092 0.000 2.442 516 G HA2 -0.225 3.737 3.960 0.002 0.000 0.219 516 G HA3 -0.225 3.737 3.960 0.002 0.000 0.219 516 G C 1.758 176.710 174.900 0.086 0.000 1.141 516 G CA 0.697 45.872 45.100 0.125 0.000 0.763 516 G HN 0.372 nan 8.290 nan 0.000 0.554 517 L N 0.648 121.882 121.223 0.018 0.000 2.261 517 L HA -0.072 4.270 4.340 0.002 0.000 0.216 517 L C 2.035 178.948 176.870 0.073 0.000 1.114 517 L CA 0.770 55.626 54.840 0.028 0.000 0.777 517 L CB -0.360 41.686 42.059 -0.022 0.000 0.910 517 L HN 0.079 nan 8.230 nan 0.000 0.440 518 D N 0.131 120.591 120.400 0.100 0.000 2.309 518 D HA -0.103 4.538 4.640 0.002 0.000 0.212 518 D C 1.807 178.199 176.300 0.153 0.000 0.968 518 D CA 1.086 55.164 54.000 0.129 0.000 0.882 518 D CB 0.078 40.965 40.800 0.144 0.000 0.918 518 D HN 0.351 nan 8.370 nan 0.000 0.503 519 L N -0.286 121.029 121.223 0.152 0.000 2.906 519 L HA 0.200 4.541 4.340 0.002 0.000 0.255 519 L C 1.699 178.669 176.870 0.167 0.000 1.166 519 L CA -0.040 54.907 54.840 0.179 0.000 0.977 519 L CB 0.249 42.427 42.059 0.198 0.000 1.313 519 L HN -0.123 nan 8.230 nan 0.000 0.549 520 Q N 1.708 121.587 119.800 0.132 0.000 2.119 520 Q HA -0.086 4.256 4.340 0.002 0.000 0.201 520 Q C 2.293 178.358 176.000 0.110 0.000 0.972 520 Q CA 2.035 57.908 55.803 0.116 0.000 0.847 520 Q CB 0.009 28.795 28.738 0.080 0.000 0.903 520 Q HN 0.429 nan 8.270 nan 0.000 0.433 521 A N -0.260 122.623 122.820 0.105 0.000 1.883 521 A HA -0.247 4.074 4.320 0.002 0.000 0.217 521 A C 2.497 180.138 177.584 0.094 0.000 1.186 521 A CA 1.647 53.740 52.037 0.093 0.000 0.624 521 A CB -1.501 17.557 19.000 0.097 0.000 0.822 521 A HN 0.643 nan 8.150 nan 0.000 0.444 522 C N -0.525 118.846 119.300 0.118 0.000 2.453 522 C HA -0.036 4.426 4.460 0.002 0.000 0.277 522 C C 2.597 177.654 174.990 0.111 0.000 1.262 522 C CA 1.008 60.083 59.018 0.095 0.000 1.718 522 C CB -1.390 26.397 27.740 0.078 0.000 2.031 522 C HN 0.598 nan 8.230 nan 0.000 0.480 523 I N 0.645 121.316 120.570 0.169 0.000 2.208 523 I HA -0.212 3.960 4.170 0.002 0.000 0.245 523 I C 2.609 178.797 176.117 0.119 0.000 1.097 523 I CA 1.916 63.343 61.300 0.213 0.000 1.363 523 I CB -0.720 37.436 38.000 0.260 0.000 1.051 523 I HN 0.488 nan 8.210 nan 0.000 0.413 524 E N 0.466 120.721 120.200 0.092 0.000 2.106 524 E HA -0.236 4.116 4.350 0.002 0.000 0.192 524 E C 2.064 178.667 176.600 0.005 0.000 0.984 524 E CA 0.931 57.364 56.400 0.055 0.000 0.806 524 E CB -0.134 29.599 29.700 0.056 0.000 0.750 524 E HN 0.282 nan 8.360 nan 0.000 0.458 525 L N 0.779 121.995 121.223 -0.011 0.000 2.353 525 L HA -0.098 4.243 4.340 0.002 0.000 0.220 525 L C 1.632 178.434 176.870 -0.114 0.000 1.133 525 L CA 1.333 56.115 54.840 -0.096 0.000 0.798 525 L CB 0.017 42.041 42.059 -0.059 0.000 0.922 525 L HN 0.089 nan 8.230 nan 0.000 0.445 526 I N -1.071 119.438 120.570 -0.101 0.000 2.810 526 I HA -0.076 4.096 4.170 0.002 0.000 0.262 526 I C 2.093 178.067 176.117 -0.239 0.000 1.131 526 I CA 0.895 62.067 61.300 -0.212 0.000 1.453 526 I CB 0.050 37.790 38.000 -0.434 0.000 1.161 526 I HN 0.316 nan 8.210 nan 0.000 0.444 527 E N 2.019 122.118 120.200 -0.168 0.000 2.431 527 E HA 0.032 4.384 4.350 0.002 0.000 0.200 527 E C 0.616 177.231 176.600 0.024 0.000 0.995 527 E CA -0.364 56.004 56.400 -0.055 0.000 0.915 527 E CB -0.011 29.734 29.700 0.075 0.000 0.930 527 E HN 0.359 nan 8.360 nan 0.000 0.496 528 K N 1.434 121.850 120.400 0.027 0.000 2.168 528 K HA 0.304 4.625 4.320 0.002 0.000 0.258 528 K C -2.517 174.113 176.600 0.050 0.000 1.010 528 K CA -1.964 54.350 56.287 0.045 0.000 0.929 528 K CB 0.017 32.545 32.500 0.046 0.000 0.998 528 K HN -0.285 nan 8.250 nan 0.000 0.479 529 P HA -0.081 nan 4.420 nan 0.000 0.261 529 P C -0.415 176.921 177.300 0.059 0.000 1.183 529 P CA 0.417 63.548 63.100 0.052 0.000 0.761 529 P CB 0.271 31.996 31.700 0.042 0.000 0.785 530 M N -0.494 119.146 119.600 0.067 0.000 3.029 530 M HA -0.107 4.375 4.480 0.002 0.000 0.217 530 M C 0.633 177.044 176.300 0.184 0.000 0.568 530 M CA 0.991 56.337 55.300 0.075 0.000 0.828 530 M CB -2.701 29.914 32.600 0.024 0.000 2.950 530 M HN 0.516 nan 8.290 nan 0.000 0.309 531 G N 0.269 109.144 108.800 0.125 0.000 2.557 531 G HA2 0.576 4.538 3.960 0.002 0.000 0.292 531 G HA3 0.576 4.538 3.960 0.002 0.000 0.292 531 G C 1.189 176.128 174.900 0.065 0.000 1.237 531 G CA -0.194 44.947 45.100 0.067 0.000 0.978 531 G HN 0.280 nan 8.290 nan 0.000 0.498 532 I N -0.360 120.204 120.570 -0.010 0.000 2.087 532 I HA -0.259 3.912 4.170 0.002 0.000 0.240 532 I C 2.669 178.913 176.117 0.211 0.000 1.054 532 I CA 1.352 62.699 61.300 0.079 0.000 1.311 532 I CB -0.441 37.611 38.000 0.088 0.000 1.024 532 I HN 0.336 nan 8.210 nan 0.000 0.402 533 L N 0.392 121.697 121.223 0.137 0.000 2.083 533 L HA -0.194 4.147 4.340 0.002 0.000 0.209 533 L C 2.832 179.783 176.870 0.136 0.000 1.083 533 L CA 1.680 56.613 54.840 0.155 0.000 0.752 533 L CB -0.660 41.437 42.059 0.062 0.000 0.899 533 L HN 0.393 nan 8.230 nan 0.000 0.433 534 S N 0.226 115.992 115.700 0.109 0.000 2.387 534 S HA -0.093 4.378 4.470 0.002 0.000 0.226 534 S C 1.978 176.653 174.600 0.125 0.000 1.026 534 S CA 0.639 58.899 58.200 0.099 0.000 0.972 534 S CB -0.235 63.012 63.200 0.079 0.000 0.814 534 S HN 0.333 nan 8.310 nan 0.000 0.477 535 I N 0.938 121.605 120.570 0.162 0.000 2.286 535 I HA -0.114 4.057 4.170 0.002 0.000 0.248 535 I C 2.447 178.741 176.117 0.294 0.000 1.115 535 I CA 0.970 62.388 61.300 0.197 0.000 1.392 535 I CB -0.344 37.757 38.000 0.169 0.000 1.065 535 I HN 0.351 nan 8.210 nan 0.000 0.418 536 L N 0.945 122.374 121.223 0.343 0.000 2.017 536 L HA -0.211 4.130 4.340 0.002 0.000 0.208 536 L C 2.320 179.170 176.870 -0.034 0.000 1.073 536 L CA 1.906 56.785 54.840 0.064 0.000 0.745 536 L CB -0.530 41.529 42.059 0.000 0.000 0.894 536 L HN 0.170 nan 8.230 nan 0.000 0.432 537 E N -0.410 119.811 120.200 0.034 0.000 2.012 537 E HA -0.284 4.068 4.350 0.002 0.000 0.197 537 E C 2.150 178.764 176.600 0.025 0.000 1.007 537 E CA 1.776 58.186 56.400 0.015 0.000 0.816 537 E CB -0.243 29.483 29.700 0.044 0.000 0.762 537 E HN 0.563 nan 8.360 nan 0.000 0.451 538 E N 0.229 120.470 120.200 0.069 0.000 2.130 538 E HA -0.244 4.107 4.350 0.002 0.000 0.196 538 E C 1.850 178.548 176.600 0.163 0.000 0.998 538 E CA 1.025 57.481 56.400 0.095 0.000 0.806 538 E CB 0.036 29.816 29.700 0.134 0.000 0.738 538 E HN 0.061 nan 8.360 nan 0.000 0.459 539 E N -0.498 119.807 120.200 0.174 0.000 2.482 539 E HA -0.069 4.282 4.350 0.002 0.000 0.196 539 E C 1.221 177.886 176.600 0.109 0.000 1.047 539 E CA 0.307 56.842 56.400 0.225 0.000 0.869 539 E CB -0.094 29.724 29.700 0.197 0.000 0.836 539 E HN 0.177 nan 8.360 nan 0.000 0.520 540 C N -0.169 119.134 119.300 0.006 0.000 2.539 540 C HA 0.166 4.627 4.460 0.002 0.000 0.268 540 C C 1.793 176.739 174.990 -0.072 0.000 1.395 540 C CA 0.207 59.193 59.018 -0.053 0.000 1.757 540 C CB -0.688 27.005 27.740 -0.079 0.000 1.851 540 C HN 0.483 nan 8.230 nan 0.000 0.545 541 M N -1.203 118.320 119.600 -0.128 0.000 2.494 541 M HA 0.215 4.696 4.480 0.002 0.000 0.232 541 M C -0.582 175.417 176.300 -0.501 0.000 1.137 541 M CA 0.562 55.679 55.300 -0.305 0.000 1.012 541 M CB 0.072 32.445 32.600 -0.379 0.000 1.567 541 M HN 0.165 nan 8.290 nan 0.000 0.486 542 F N 0.295 120.222 119.950 -0.037 0.000 2.325 542 F HA 0.317 4.845 4.527 0.002 0.000 0.369 542 F C -1.644 174.136 175.800 -0.034 0.000 1.095 542 F CA -2.057 55.924 58.000 -0.033 0.000 1.082 542 F CB 0.734 39.719 39.000 -0.024 0.000 1.289 542 F HN -0.122 nan 8.300 nan 0.000 0.462 543 P HA -0.272 nan 4.420 nan 0.000 0.222 543 P C 1.015 178.350 177.300 0.059 0.000 1.159 543 P CA 1.696 64.821 63.100 0.043 0.000 0.920 543 P CB 0.221 31.937 31.700 0.027 0.000 0.793 544 K N -1.161 119.290 120.400 0.084 0.000 2.520 544 K HA 0.308 4.629 4.320 0.002 0.000 0.205 544 K C 0.547 177.176 176.600 0.049 0.000 1.035 544 K CA -0.173 56.145 56.287 0.052 0.000 1.188 544 K CB -0.262 32.260 32.500 0.036 0.000 0.894 544 K HN 0.102 nan 8.250 nan 0.000 0.497 545 A N 1.700 124.567 122.820 0.080 0.000 2.466 545 A HA 0.271 4.592 4.320 0.002 0.000 0.238 545 A C 0.530 178.132 177.584 0.030 0.000 1.074 545 A CA 0.033 52.109 52.037 0.066 0.000 0.774 545 A CB 0.243 19.307 19.000 0.107 0.000 1.015 545 A HN 0.322 nan 8.150 nan 0.000 0.498 546 S N -0.028 115.685 115.700 0.021 0.000 2.618 546 S HA 0.462 4.933 4.470 0.002 0.000 0.277 546 S C -0.199 174.411 174.600 0.017 0.000 1.138 546 S CA -0.541 57.665 58.200 0.010 0.000 0.844 546 S CB 1.359 64.558 63.200 -0.002 0.000 1.127 546 S HN 0.494 nan 8.310 nan 0.000 0.474 547 D N 1.460 121.862 120.400 0.003 0.000 2.357 547 D HA -0.026 4.615 4.640 0.002 0.000 0.216 547 D C 1.434 177.679 176.300 -0.091 0.000 0.973 547 D CA 1.824 55.816 54.000 -0.014 0.000 0.912 547 D CB -0.332 40.450 40.800 -0.031 0.000 0.900 547 D HN 0.714 nan 8.370 nan 0.000 0.501 548 T N -1.410 113.096 114.554 -0.079 0.000 3.033 548 T HA -0.048 4.303 4.350 0.002 0.000 0.248 548 T C 2.096 176.717 174.700 -0.132 0.000 1.040 548 T CA 0.811 62.833 62.100 -0.130 0.000 1.133 548 T CB -0.040 68.779 68.868 -0.082 0.000 0.895 548 T HN 0.197 nan 8.240 nan 0.000 0.465 549 S N 1.677 117.337 115.700 -0.067 0.000 2.406 549 S HA -0.019 4.453 4.470 0.002 0.000 0.228 549 S C 1.817 176.386 174.600 -0.051 0.000 1.020 549 S CA 0.285 58.444 58.200 -0.068 0.000 0.965 549 S CB -0.777 62.396 63.200 -0.044 0.000 0.798 549 S HN 0.391 nan 8.310 nan 0.000 0.488 550 F N 2.932 122.783 119.950 -0.165 0.000 2.163 550 F HA 0.191 4.720 4.527 0.002 0.000 0.297 550 F C 2.241 177.894 175.800 -0.244 0.000 1.094 550 F CA 1.307 59.206 58.000 -0.167 0.000 1.290 550 F CB -0.484 38.427 39.000 -0.149 0.000 1.017 550 F HN 0.160 nan 8.300 nan 0.000 0.483 551 K N 0.439 120.530 120.400 -0.515 0.000 2.009 551 K HA -0.224 4.097 4.320 0.002 0.000 0.210 551 K C 1.884 178.002 176.600 -0.803 0.000 1.049 551 K CA 1.898 57.720 56.287 -0.775 0.000 0.929 551 K CB -0.379 31.712 32.500 -0.681 0.000 0.714 551 K HN 0.257 nan 8.250 nan 0.000 0.440 552 N N 1.136 119.518 118.700 -0.530 0.000 2.223 552 N HA -0.176 4.565 4.740 0.002 0.000 0.185 552 N C 1.598 176.959 175.510 -0.248 0.000 1.016 552 N CA 1.089 53.927 53.050 -0.353 0.000 0.863 552 N CB -0.113 38.259 38.487 -0.192 0.000 0.983 552 N HN 0.303 nan 8.380 nan 0.000 0.429 553 K N 0.795 121.037 120.400 -0.264 0.000 2.365 553 K HA 0.072 4.394 4.320 0.002 0.000 0.199 553 K C 1.872 178.326 176.600 -0.245 0.000 1.045 553 K CA 0.252 56.418 56.287 -0.201 0.000 0.962 553 K CB 0.157 32.580 32.500 -0.129 0.000 0.759 553 K HN 0.106 nan 8.250 nan 0.000 0.469 554 L N -0.530 120.478 121.223 -0.357 0.000 2.068 554 L HA -0.115 4.227 4.340 0.002 0.000 0.204 554 L C 2.093 178.865 176.870 -0.162 0.000 1.076 554 L CA 1.058 55.713 54.840 -0.308 0.000 0.753 554 L CB -0.582 41.226 42.059 -0.419 0.000 0.910 554 L HN 0.246 nan 8.230 nan 0.000 0.439 555 Y N 0.535 120.700 120.300 -0.225 0.000 2.128 555 Y HA -0.325 4.227 4.550 0.002 0.000 0.284 555 Y C 2.534 178.312 175.900 -0.203 0.000 1.154 555 Y CA 0.575 58.588 58.100 -0.146 0.000 1.149 555 Y CB -0.241 38.191 38.460 -0.047 0.000 0.976 555 Y HN 0.274 nan 8.280 nan 0.000 0.505 556 D N 0.167 120.554 120.400 -0.022 0.000 2.137 556 D HA -0.220 4.421 4.640 0.002 0.000 0.189 556 D C 1.694 177.873 176.300 -0.201 0.000 0.998 556 D CA 1.366 55.306 54.000 -0.099 0.000 0.839 556 D CB -0.667 40.064 40.800 -0.116 0.000 0.962 556 D HN 0.280 nan 8.370 nan 0.000 0.446 557 N N -0.575 117.934 118.700 -0.318 0.000 2.223 557 N HA -0.123 4.619 4.740 0.002 0.000 0.185 557 N C 1.239 176.221 175.510 -0.880 0.000 1.016 557 N CA 0.991 53.689 53.050 -0.587 0.000 0.863 557 N CB 0.135 38.198 38.487 -0.706 0.000 0.983 557 N HN 0.451 nan 8.380 nan 0.000 0.429 558 H N -1.320 117.492 119.070 -0.430 0.000 3.207 558 H HA 0.121 4.678 4.556 0.002 0.000 0.237 558 H C 0.126 175.170 175.328 -0.475 0.000 0.959 558 H CA -0.523 55.194 56.048 -0.552 0.000 1.091 558 H CB 0.041 29.238 29.762 -0.943 0.000 1.447 558 H HN 0.017 nan 8.280 nan 0.000 0.477 559 L N 2.502 123.517 121.223 -0.347 0.000 2.640 559 L HA 0.090 4.432 4.340 0.002 0.000 0.280 559 L C 1.440 178.306 176.870 -0.007 0.000 1.229 559 L CA 1.708 56.535 54.840 -0.022 0.000 0.919 559 L CB -0.381 41.641 42.059 -0.060 0.000 1.168 559 L HN 0.693 nan 8.230 nan 0.000 0.496 560 G N 3.707 112.544 108.800 0.062 0.000 2.322 560 G HA2 -0.401 3.561 3.960 0.002 0.000 0.264 560 G HA3 -0.401 3.561 3.960 0.002 0.000 0.264 560 G C 1.189 176.097 174.900 0.015 0.000 0.992 560 G CA 0.835 45.952 45.100 0.028 0.000 0.624 560 G HN 0.662 nan 8.290 nan 0.000 0.543 561 K N -0.083 120.316 120.400 -0.003 0.000 2.404 561 K HA 0.151 4.472 4.320 0.002 0.000 0.194 561 K C 0.441 177.061 176.600 0.033 0.000 1.023 561 K CA 0.220 56.502 56.287 -0.010 0.000 1.094 561 K CB 0.268 32.729 32.500 -0.065 0.000 0.841 561 K HN 0.300 nan 8.250 nan 0.000 0.523 562 N N 0.139 118.881 118.700 0.070 0.000 2.493 562 N HA 0.080 4.821 4.740 0.002 0.000 0.279 562 N C -2.429 173.153 175.510 0.120 0.000 1.082 562 N CA -1.356 51.751 53.050 0.095 0.000 0.963 562 N CB 1.874 40.430 38.487 0.115 0.000 1.627 562 N HN -0.252 nan 8.380 nan 0.000 0.499 563 P HA -0.151 nan 4.420 nan 0.000 0.216 563 P C 1.519 178.870 177.300 0.084 0.000 1.153 563 P CA 1.052 64.188 63.100 0.061 0.000 0.858 563 P CB 0.355 32.068 31.700 0.022 0.000 0.789 564 M N -1.322 118.345 119.600 0.113 0.000 2.213 564 M HA -0.047 4.435 4.480 0.002 0.000 0.263 564 M C 1.132 177.555 176.300 0.205 0.000 1.062 564 M CA 0.703 56.093 55.300 0.152 0.000 1.105 564 M CB -1.553 31.136 32.600 0.147 0.000 1.385 564 M HN -0.084 nan 8.290 nan 0.000 0.417 565 F N 1.023 121.013 119.950 0.067 0.000 2.390 565 F HA 0.518 5.046 4.527 0.002 0.000 0.361 565 F C 0.693 176.553 175.800 0.100 0.000 1.124 565 F CA -0.615 57.447 58.000 0.103 0.000 1.149 565 F CB 0.382 39.408 39.000 0.043 0.000 1.160 565 F HN -0.016 nan 8.300 nan 0.000 0.501 566 G N 4.848 113.582 108.800 -0.110 0.000 3.016 566 G HA2 0.487 4.449 3.960 0.002 0.000 0.270 566 G HA3 0.487 4.449 3.960 0.002 0.000 0.270 566 G C -1.810 172.959 174.900 -0.219 0.000 1.352 566 G CA -0.897 44.162 45.100 -0.068 0.000 1.060 566 G HN 0.578 nan 8.290 nan 0.000 0.538 567 K N 0.419 120.757 120.400 -0.103 0.000 2.513 567 K HA 0.434 4.755 4.320 0.002 0.000 0.251 567 K C -2.365 174.208 176.600 -0.045 0.000 0.939 567 K CA -1.321 54.916 56.287 -0.083 0.000 0.793 567 K CB 2.657 35.093 32.500 -0.107 0.000 1.241 567 K HN 0.420 nan 8.250 nan 0.000 0.431 568 P HA 0.328 nan 4.420 nan 0.000 0.323 568 P C -1.493 175.804 177.300 -0.005 0.000 1.309 568 P CA -0.391 62.691 63.100 -0.029 0.000 0.739 568 P CB 0.459 32.129 31.700 -0.050 0.000 1.454 569 K N -2.171 118.226 120.400 -0.005 0.000 2.543 569 K HA 0.539 4.861 4.320 0.002 0.000 0.255 569 K C -3.013 173.591 176.600 0.007 0.000 0.934 569 K CA -1.956 54.335 56.287 0.008 0.000 0.810 569 K CB -0.494 32.010 32.500 0.005 0.000 1.315 569 K HN 0.052 nan 8.250 nan 0.000 0.433 570 P HA -0.071 nan 4.420 nan 0.000 0.255 570 P C -2.147 175.159 177.300 0.011 0.000 1.141 570 P CA -0.139 62.971 63.100 0.016 0.000 0.767 570 P CB -0.114 31.602 31.700 0.027 0.000 0.726 571 P HA 0.168 nan 4.420 nan 0.000 0.322 571 P C -0.340 176.964 177.300 0.008 0.000 1.414 571 P CA -0.131 62.973 63.100 0.008 0.000 0.876 571 P CB 0.347 32.053 31.700 0.010 0.000 2.176 572 K N -0.215 120.189 120.400 0.007 0.000 2.333 572 K HA 0.496 4.818 4.320 0.002 0.000 0.241 572 K C 0.600 177.201 176.600 0.003 0.000 1.193 572 K CA 0.410 56.700 56.287 0.004 0.000 1.142 572 K CB -1.127 31.373 32.500 0.001 0.000 1.731 572 K HN 0.450 nan 8.250 nan 0.000 0.344 573 A N 1.929 124.752 122.820 0.006 0.000 1.351 573 A HA -0.356 3.965 4.320 0.002 0.000 0.227 573 A C 1.783 179.369 177.584 0.003 0.000 0.935 573 A CA 2.329 54.369 52.037 0.006 0.000 1.095 573 A CB -2.180 16.822 19.000 0.003 0.000 1.469 573 A HN 0.732 nan 8.150 nan 0.000 0.721 574 G N -2.300 106.497 108.800 -0.004 0.000 2.595 574 G HA2 0.215 4.176 3.960 0.002 0.000 0.213 574 G HA3 0.215 4.176 3.960 0.002 0.000 0.213 574 G C 0.852 175.743 174.900 -0.014 0.000 1.141 574 G CA 1.010 46.103 45.100 -0.013 0.000 0.806 574 G HN 1.370 nan 8.290 nan 0.000 0.530 575 C N 3.276 122.575 119.300 -0.003 0.000 2.698 575 C HA 0.509 4.971 4.460 0.002 0.000 0.394 575 C C 1.650 176.655 174.990 0.026 0.000 1.358 575 C CA -0.962 58.062 59.018 0.011 0.000 1.428 575 C CB -2.443 25.306 27.740 0.015 0.000 2.259 575 C HN 0.693 nan 8.230 nan 0.000 0.614 576 A N 5.095 127.932 122.820 0.027 0.000 2.627 576 A HA -0.075 4.246 4.320 0.002 0.000 0.227 576 A C 0.522 178.152 177.584 0.077 0.000 1.068 576 A CA 0.697 52.774 52.037 0.066 0.000 0.825 576 A CB 0.164 19.256 19.000 0.154 0.000 0.938 576 A HN 0.905 nan 8.150 nan 0.000 0.488 577 E N 0.828 121.056 120.200 0.046 0.000 2.223 577 E HA 0.464 4.815 4.350 0.002 0.000 0.282 577 E C 0.117 176.574 176.600 -0.238 0.000 1.046 577 E CA 0.005 56.369 56.400 -0.059 0.000 0.857 577 E CB 0.675 30.355 29.700 -0.033 0.000 1.055 577 E HN 0.823 nan 8.360 nan 0.000 0.409 578 A N 4.167 126.861 122.820 -0.209 0.000 2.304 578 A HA 0.303 4.625 4.320 0.002 0.000 0.301 578 A C -0.445 176.951 177.584 -0.313 0.000 1.132 578 A CA -0.353 51.531 52.037 -0.255 0.000 0.819 578 A CB 0.387 19.310 19.000 -0.128 0.000 1.094 578 A HN 0.923 nan 8.150 nan 0.000 0.492 579 H N 0.100 119.223 119.070 0.089 0.000 2.874 579 H HA 0.387 4.945 4.556 0.002 0.000 0.264 579 H C -0.640 174.900 175.328 0.353 0.000 1.007 579 H CA 0.846 57.015 56.048 0.201 0.000 1.207 579 H CB 0.556 30.404 29.762 0.143 0.000 1.487 579 H HN 0.699 nan 8.280 nan 0.000 0.505 580 F N -0.401 119.594 119.950 0.075 0.000 2.804 580 F HA 0.416 4.944 4.527 0.002 0.000 0.320 580 F C -1.968 173.769 175.800 -0.104 0.000 1.135 580 F CA -2.212 55.703 58.000 -0.142 0.000 0.947 580 F CB 0.579 39.386 39.000 -0.321 0.000 1.260 580 F HN 0.007 nan 8.300 nan 0.000 0.447 581 C N 2.393 121.561 119.300 -0.221 0.000 2.712 581 C HA 0.930 5.391 4.460 0.002 0.000 0.308 581 C C -1.132 173.858 174.990 -0.001 0.000 1.201 581 C CA -0.985 57.911 59.018 -0.202 0.000 1.554 581 C CB 1.063 28.711 27.740 -0.154 0.000 2.117 581 C HN 1.081 nan 8.230 nan 0.000 0.480 582 L N 2.970 124.256 121.223 0.106 0.000 2.342 582 L HA 0.504 4.846 4.340 0.002 0.000 0.271 582 L C 0.070 176.970 176.870 0.050 0.000 1.008 582 L CA -0.434 54.482 54.840 0.126 0.000 0.818 582 L CB 1.465 43.607 42.059 0.140 0.000 1.296 582 L HN 0.877 nan 8.230 nan 0.000 0.427 583 H N 3.153 122.185 119.070 -0.064 0.000 2.741 583 H HA 0.300 4.858 4.556 0.002 0.000 0.282 583 H C -1.081 174.198 175.328 -0.081 0.000 1.122 583 H CA -0.464 55.562 56.048 -0.037 0.000 1.293 583 H CB 0.323 30.082 29.762 -0.005 0.000 1.415 583 H HN 0.521 nan 8.280 nan 0.000 0.472 584 H N 4.453 123.315 119.070 -0.346 0.000 2.495 584 H HA -0.069 4.489 4.556 0.002 0.000 0.350 584 H C 0.816 175.780 175.328 -0.607 0.000 1.202 584 H CA -0.116 55.740 56.048 -0.321 0.000 1.322 584 H CB 1.173 30.871 29.762 -0.106 0.000 1.544 584 H HN 0.770 nan 8.280 nan 0.000 0.565 585 Y N -0.203 119.970 120.300 -0.212 0.000 2.315 585 Y HA -0.069 4.482 4.550 0.002 0.000 0.288 585 Y C 1.712 177.430 175.900 -0.305 0.000 1.154 585 Y CA 1.011 58.977 58.100 -0.223 0.000 1.229 585 Y CB -0.367 38.035 38.460 -0.096 0.000 0.980 585 Y HN 0.454 nan 8.280 nan 0.000 0.540 586 A N 0.489 122.421 122.820 -1.481 0.000 2.307 586 A HA 0.591 4.913 4.320 0.002 0.000 0.218 586 A C 1.248 178.426 177.584 -0.678 0.000 1.228 586 A CA 0.574 51.865 52.037 -1.243 0.000 0.857 586 A CB -1.066 16.712 19.000 -2.036 0.000 0.897 586 A HN 1.026 nan 8.150 nan 0.000 0.495 587 G N -1.396 107.126 108.800 -0.463 0.000 2.343 587 G HA2 0.214 4.175 3.960 0.002 0.000 0.562 587 G HA3 0.214 4.175 3.960 0.002 0.000 0.562 587 G C -0.328 174.500 174.900 -0.120 0.000 1.269 587 G CA -0.162 44.810 45.100 -0.213 0.000 1.011 587 G HN 0.912 nan 8.290 nan 0.000 0.498 588 S N -1.172 114.516 115.700 -0.020 0.000 2.480 588 S HA 0.683 5.154 4.470 0.002 0.000 0.286 588 S C 0.014 174.602 174.600 -0.019 0.000 1.180 588 S CA -0.302 57.912 58.200 0.024 0.000 1.075 588 S CB 1.065 64.290 63.200 0.042 0.000 0.996 588 S HN 1.351 nan 8.310 nan 0.000 0.487 589 V N 4.404 124.305 119.914 -0.022 0.000 2.555 589 V HA 0.517 4.638 4.120 0.002 0.000 0.302 589 V C -0.207 175.605 176.094 -0.470 0.000 1.038 589 V CA -0.748 61.404 62.300 -0.247 0.000 0.887 589 V CB 2.112 33.750 31.823 -0.309 0.000 0.991 589 V HN 0.908 nan 8.190 nan 0.000 0.434 590 S N 3.736 119.131 115.700 -0.509 0.000 2.437 590 S HA 0.730 5.201 4.470 0.002 0.000 0.305 590 S C -1.100 173.139 174.600 -0.602 0.000 1.109 590 S CA -0.376 57.548 58.200 -0.460 0.000 1.099 590 S CB 0.607 63.662 63.200 -0.241 0.000 1.004 590 S HN 0.541 nan 8.310 nan 0.000 0.475 591 Y N 0.710 120.743 120.300 -0.445 0.000 2.509 591 Y HA 0.586 5.137 4.550 0.002 0.000 0.341 591 Y C 0.661 176.410 175.900 -0.251 0.000 1.038 591 Y CA -0.765 57.115 58.100 -0.366 0.000 1.089 591 Y CB 1.556 39.763 38.460 -0.421 0.000 1.241 591 Y HN 0.554 nan 8.280 nan 0.000 0.468 592 S N 1.309 117.039 115.700 0.051 0.000 2.608 592 S HA 0.422 4.894 4.470 0.002 0.000 0.291 592 S C 0.248 175.003 174.600 0.258 0.000 1.146 592 S CA -0.490 57.784 58.200 0.124 0.000 1.043 592 S CB 0.584 63.892 63.200 0.179 0.000 1.037 592 S HN 0.631 nan 8.310 nan 0.000 0.520 593 I N 2.564 123.403 120.570 0.449 0.000 3.854 593 I HA 0.305 4.476 4.170 0.002 0.000 0.312 593 I C 1.394 177.406 176.117 -0.175 0.000 1.273 593 I CA 0.006 61.106 61.300 -0.334 0.000 1.298 593 I CB -0.859 36.939 38.000 -0.336 0.000 1.071 593 I HN 0.764 nan 8.210 nan 0.000 0.428 594 A N 0.670 123.623 122.820 0.221 0.000 2.580 594 A HA 0.340 4.662 4.320 0.002 0.000 0.244 594 A C 1.622 179.390 177.584 0.306 0.000 1.045 594 A CA 1.065 53.251 52.037 0.249 0.000 0.761 594 A CB -0.586 18.621 19.000 0.345 0.000 0.962 594 A HN 0.814 nan 8.150 nan 0.000 0.512 595 G N 1.637 110.552 108.800 0.192 0.000 2.253 595 G HA2 -0.318 3.644 3.960 0.002 0.000 0.251 595 G HA3 -0.318 3.644 3.960 0.002 0.000 0.251 595 G C 0.799 175.787 174.900 0.146 0.000 0.998 595 G CA 0.838 46.031 45.100 0.154 0.000 0.621 595 G HN 0.820 nan 8.290 nan 0.000 0.524 596 W N 0.952 122.145 121.300 -0.177 0.000 2.308 596 W HA 0.031 4.692 4.660 0.002 0.000 0.301 596 W C 2.665 178.865 176.519 -0.531 0.000 1.220 596 W CA 1.566 58.653 57.345 -0.429 0.000 1.240 596 W CB -1.073 28.111 29.460 -0.460 0.000 1.142 596 W HN 0.379 nan 8.180 nan 0.000 0.521 597 L N -0.420 120.687 121.223 -0.192 0.000 2.083 597 L HA -0.218 4.124 4.340 0.002 0.000 0.209 597 L C 2.096 178.877 176.870 -0.149 0.000 1.083 597 L CA 1.443 56.149 54.840 -0.223 0.000 0.752 597 L CB -0.744 41.216 42.059 -0.166 0.000 0.899 597 L HN -0.041 nan 8.230 nan 0.000 0.433 598 D N 0.104 120.443 120.400 -0.101 0.000 2.110 598 D HA -0.126 4.515 4.640 0.002 0.000 0.202 598 D C 2.084 178.324 176.300 -0.100 0.000 0.975 598 D CA 0.970 54.928 54.000 -0.070 0.000 0.839 598 D CB -0.127 40.651 40.800 -0.036 0.000 0.996 598 D HN 0.241 nan 8.370 nan 0.000 0.464 599 K N 0.573 120.882 120.400 -0.152 0.000 2.218 599 K HA -0.152 4.169 4.320 0.002 0.000 0.205 599 K C 1.735 178.239 176.600 -0.160 0.000 1.046 599 K CA 0.845 57.036 56.287 -0.161 0.000 0.933 599 K CB -0.070 32.313 32.500 -0.195 0.000 0.728 599 K HN -0.018 nan 8.250 nan 0.000 0.454 600 N N 1.042 119.570 118.700 -0.288 0.000 2.376 600 N HA -0.040 4.702 4.740 0.002 0.000 0.177 600 N C -0.428 175.032 175.510 -0.082 0.000 1.024 600 N CA 0.512 53.417 53.050 -0.242 0.000 0.893 600 N CB 0.286 38.525 38.487 -0.415 0.000 0.980 600 N HN 0.001 nan 8.380 nan 0.000 0.439 601 K N 0.782 121.141 120.400 -0.067 0.000 2.447 601 K HA -0.011 4.310 4.320 0.002 0.000 0.281 601 K C -0.777 175.838 176.600 0.026 0.000 1.031 601 K CA 0.466 56.746 56.287 -0.011 0.000 1.019 601 K CB 0.559 33.054 32.500 -0.008 0.000 0.918 601 K HN 0.094 nan 8.250 nan 0.000 0.476 602 D N 3.244 123.673 120.400 0.048 0.000 3.100 602 D HA 0.114 4.755 4.640 0.002 0.000 0.350 602 D C -2.477 173.858 176.300 0.059 0.000 1.310 602 D CA -1.391 52.643 54.000 0.056 0.000 0.741 602 D CB 0.505 41.341 40.800 0.061 0.000 1.248 602 D HN 0.222 nan 8.370 nan 0.000 0.527 603 P HA 0.119 nan 4.420 nan 0.000 0.268 603 P C 0.059 177.322 177.300 -0.062 0.000 1.204 603 P CA -0.049 63.124 63.100 0.121 0.000 0.768 603 P CB 1.203 33.092 31.700 0.315 0.000 0.842 604 I N 3.339 123.736 120.570 -0.288 0.000 2.428 604 I HA 0.172 4.343 4.170 0.002 0.000 0.289 604 I C 0.849 176.517 176.117 -0.750 0.000 1.019 604 I CA -0.290 60.777 61.300 -0.388 0.000 1.351 604 I CB 0.520 38.326 38.000 -0.323 0.000 1.412 604 I HN 0.229 nan 8.210 nan 0.000 0.513 605 N N 6.130 124.590 118.700 -0.400 0.000 2.898 605 N HA 0.146 4.888 4.740 0.002 0.000 0.245 605 N C 0.507 175.904 175.510 -0.189 0.000 1.185 605 N CA -0.232 52.626 53.050 -0.319 0.000 0.879 605 N CB 1.321 39.750 38.487 -0.096 0.000 1.157 605 N HN 0.594 nan 8.380 nan 0.000 0.503 606 E N 1.127 121.193 120.200 -0.223 0.000 2.181 606 E HA -0.315 4.037 4.350 0.002 0.000 0.225 606 E C 1.076 177.652 176.600 -0.039 0.000 1.073 606 E CA 1.800 58.139 56.400 -0.101 0.000 0.916 606 E CB 0.107 29.774 29.700 -0.056 0.000 0.793 606 E HN 0.453 nan 8.360 nan 0.000 0.472 607 N N 0.102 118.794 118.700 -0.013 0.000 2.094 607 N HA -0.153 4.589 4.740 0.002 0.000 0.191 607 N C 1.926 177.437 175.510 0.001 0.000 1.023 607 N CA 1.451 54.505 53.050 0.007 0.000 0.857 607 N CB -0.420 38.082 38.487 0.024 0.000 1.013 607 N HN 0.081 nan 8.380 nan 0.000 0.426 608 V N 0.966 120.875 119.914 -0.009 0.000 2.490 608 V HA -0.131 3.991 4.120 0.002 0.000 0.250 608 V C 2.453 178.539 176.094 -0.014 0.000 1.061 608 V CA 0.968 63.266 62.300 -0.005 0.000 1.064 608 V CB -0.488 31.333 31.823 -0.002 0.000 0.670 608 V HN 0.055 nan 8.190 nan 0.000 0.461 609 V N -0.306 119.595 119.914 -0.022 0.000 2.255 609 V HA -0.150 3.971 4.120 0.002 0.000 0.243 609 V C 2.596 178.687 176.094 -0.004 0.000 1.038 609 V CA 1.691 63.981 62.300 -0.017 0.000 1.008 609 V CB -0.639 31.174 31.823 -0.017 0.000 0.645 609 V HN 0.489 nan 8.190 nan 0.000 0.449 610 E N 0.241 120.448 120.200 0.011 0.000 2.065 610 E HA -0.286 4.066 4.350 0.002 0.000 0.201 610 E C 2.175 178.780 176.600 0.008 0.000 1.016 610 E CA 1.633 58.051 56.400 0.031 0.000 0.818 610 E CB -0.649 29.070 29.700 0.032 0.000 0.749 610 E HN 0.441 nan 8.360 nan 0.000 0.453 611 L N 0.919 122.141 121.223 -0.001 0.000 2.079 611 L HA -0.131 4.210 4.340 0.002 0.000 0.210 611 L C 2.227 179.070 176.870 -0.044 0.000 1.081 611 L CA 1.394 56.227 54.840 -0.012 0.000 0.752 611 L CB -0.401 41.658 42.059 0.001 0.000 0.896 611 L HN 0.063 nan 8.230 nan 0.000 0.433 612 L N -0.806 120.384 121.223 -0.055 0.000 2.622 612 L HA -0.078 4.263 4.340 0.002 0.000 0.233 612 L C 1.500 178.254 176.870 -0.194 0.000 1.156 612 L CA 0.335 55.117 54.840 -0.097 0.000 0.866 612 L CB -0.340 41.675 42.059 -0.073 0.000 0.980 612 L HN 0.406 nan 8.230 nan 0.000 0.448 613 Q N 0.358 120.038 119.800 -0.201 0.000 2.247 613 Q HA 0.108 4.449 4.340 0.002 0.000 0.234 613 Q C -0.611 175.130 176.000 -0.431 0.000 0.899 613 Q CA -0.061 55.476 55.803 -0.443 0.000 0.951 613 Q CB 0.104 28.768 28.738 -0.123 0.000 1.057 613 Q HN 0.414 nan 8.270 nan 0.000 0.444 614 N N -0.876 117.656 118.700 -0.280 0.000 2.321 614 N HA 0.277 5.019 4.740 0.002 0.000 0.290 614 N C -0.309 175.098 175.510 -0.172 0.000 1.212 614 N CA -0.226 52.712 53.050 -0.187 0.000 0.767 614 N CB 1.879 40.311 38.487 -0.091 0.000 1.494 614 N HN 0.039 nan 8.380 nan 0.000 0.479 615 S N 0.323 115.947 115.700 -0.126 0.000 3.961 615 S HA -0.218 4.254 4.470 0.002 0.000 0.627 615 S C -0.886 173.629 174.600 -0.141 0.000 2.148 615 S CA 0.698 58.833 58.200 -0.109 0.000 4.099 615 S CB -1.107 62.039 63.200 -0.090 0.000 0.219 615 S HN 0.649 nan 8.310 nan 0.000 0.744 616 K N 2.662 122.972 120.400 -0.150 0.000 2.454 616 K HA -0.103 4.219 4.320 0.002 0.000 0.261 616 K C 1.446 177.928 176.600 -0.195 0.000 1.053 616 K CA 1.199 57.382 56.287 -0.173 0.000 1.159 616 K CB -0.455 31.924 32.500 -0.202 0.000 0.786 616 K HN 0.643 nan 8.250 nan 0.000 0.485 617 E N 4.143 124.237 120.200 -0.177 0.000 2.065 617 E HA -0.234 4.117 4.350 0.002 0.000 0.201 617 E C -0.737 175.711 176.600 -0.253 0.000 1.016 617 E CA 1.686 57.976 56.400 -0.185 0.000 0.818 617 E CB -0.516 29.092 29.700 -0.153 0.000 0.749 617 E HN 0.561 nan 8.360 nan 0.000 0.453 618 P HA -0.154 nan 4.420 nan 0.000 0.215 618 P C 1.593 178.670 177.300 -0.373 0.000 1.157 618 P CA 1.379 64.210 63.100 -0.448 0.000 0.863 618 P CB -0.154 31.241 31.700 -0.509 0.000 0.787 619 I N -0.297 120.093 120.570 -0.301 0.000 2.264 619 I HA -0.202 3.970 4.170 0.002 0.000 0.248 619 I C 2.510 178.431 176.117 -0.327 0.000 1.111 619 I CA 1.255 62.395 61.300 -0.266 0.000 1.382 619 I CB -0.785 37.081 38.000 -0.223 0.000 1.060 619 I HN -0.152 nan 8.210 nan 0.000 0.418 620 V N 0.794 120.474 119.914 -0.391 0.000 2.216 620 V HA -0.332 3.789 4.120 0.002 0.000 0.242 620 V C 2.504 178.335 176.094 -0.438 0.000 1.042 620 V CA 2.096 63.995 62.300 -0.668 0.000 0.991 620 V CB -1.197 30.327 31.823 -0.499 0.000 0.633 620 V HN 0.401 nan 8.190 nan 0.000 0.449 621 K N -0.024 120.285 120.400 -0.151 0.000 2.023 621 K HA -0.326 3.996 4.320 0.002 0.000 0.227 621 K C 2.262 178.857 176.600 -0.008 0.000 1.054 621 K CA 2.976 59.265 56.287 0.003 0.000 0.977 621 K CB -0.464 31.951 32.500 -0.140 0.000 0.733 621 K HN 0.435 nan 8.250 nan 0.000 0.451 622 M N 0.279 119.791 119.600 -0.146 0.000 2.151 622 M HA -0.241 4.241 4.480 0.002 0.000 0.256 622 M C 2.041 178.319 176.300 -0.037 0.000 1.072 622 M CA 1.855 57.090 55.300 -0.109 0.000 1.090 622 M CB -0.434 32.061 32.600 -0.176 0.000 1.294 622 M HN 0.202 nan 8.290 nan 0.000 0.415 623 L N -1.167 120.011 121.223 -0.075 0.000 2.688 623 L HA 0.110 4.452 4.340 0.002 0.000 0.234 623 L C 1.435 178.355 176.870 0.082 0.000 1.192 623 L CA -0.114 54.707 54.840 -0.031 0.000 0.984 623 L CB -0.350 41.657 42.059 -0.087 0.000 1.232 623 L HN 0.260 nan 8.230 nan 0.000 0.465 624 F N -0.828 119.093 119.950 -0.048 0.000 2.490 624 F HA 0.045 4.574 4.527 0.002 0.000 0.280 624 F C 1.698 177.481 175.800 -0.029 0.000 1.030 624 F CA -0.324 57.652 58.000 -0.040 0.000 1.367 624 F CB 0.516 39.487 39.000 -0.049 0.000 1.131 624 F HN -0.028 nan 8.300 nan 0.000 0.632 644 F N 1.192 121.140 119.950 -0.004 0.000 2.105 644 F HA -0.100 4.429 4.527 0.002 0.000 0.282 644 F C 0.701 176.500 175.800 -0.003 0.000 1.063 644 F CA 0.590 58.587 58.000 -0.005 0.000 1.013 644 F CB -1.340 37.650 39.000 -0.017 0.000 1.436 644 F HN 0.494 nan 8.300 nan 0.000 0.762 645 Q N 0.990 120.867 119.800 0.128 0.000 2.582 645 Q HA 0.784 5.126 4.340 0.002 0.000 0.173 645 Q C 0.779 176.826 176.000 0.078 0.000 1.068 645 Q CA 0.187 56.046 55.803 0.093 0.000 0.917 645 Q CB 0.583 29.364 28.738 0.073 0.000 2.945 645 Q HN 0.656 nan 8.270 nan 0.000 0.448 646 T N -3.372 111.226 114.554 0.073 0.000 2.864 646 T HA 0.547 4.899 4.350 0.002 0.000 0.299 646 T C 1.145 175.907 174.700 0.104 0.000 1.166 646 T CA -0.710 61.433 62.100 0.072 0.000 1.007 646 T CB 0.445 69.345 68.868 0.053 0.000 1.219 646 T HN 0.347 nan 8.240 nan 0.000 0.506 647 I N 1.177 121.823 120.570 0.126 0.000 2.315 647 I HA -0.170 4.002 4.170 0.002 0.000 0.248 647 I C 2.854 179.116 176.117 0.242 0.000 1.117 647 I CA 1.742 63.154 61.300 0.185 0.000 1.404 647 I CB -0.220 37.922 38.000 0.238 0.000 1.071 647 I HN 0.881 nan 8.210 nan 0.000 0.419 648 S N 0.025 115.891 115.700 0.276 0.000 2.402 648 S HA -0.165 4.306 4.470 0.002 0.000 0.229 648 S C 2.135 176.859 174.600 0.207 0.000 1.021 648 S CA 1.136 59.499 58.200 0.272 0.000 0.974 648 S CB -0.671 62.702 63.200 0.287 0.000 0.800 648 S HN 0.537 nan 8.310 nan 0.000 0.484 649 S N 1.288 117.085 115.700 0.163 0.000 2.406 649 S HA 0.025 4.497 4.470 0.002 0.000 0.228 649 S C 1.785 176.476 174.600 0.152 0.000 1.020 649 S CA 0.840 59.126 58.200 0.142 0.000 0.965 649 S CB -0.796 62.468 63.200 0.107 0.000 0.798 649 S HN 0.377 nan 8.310 nan 0.000 0.488 650 V N 1.471 121.477 119.914 0.154 0.000 2.591 650 V HA -0.077 4.045 4.120 0.002 0.000 0.249 650 V C 2.517 178.714 176.094 0.171 0.000 1.053 650 V CA 1.943 64.326 62.300 0.138 0.000 1.068 650 V CB -1.046 30.843 31.823 0.111 0.000 0.689 650 V HN 0.711 nan 8.190 nan 0.000 0.462 651 H N 0.638 119.766 119.070 0.097 0.000 2.293 651 H HA -0.157 4.401 4.556 0.002 0.000 0.300 651 H C 2.418 177.804 175.328 0.097 0.000 1.082 651 H CA 1.915 58.013 56.048 0.083 0.000 1.308 651 H CB 0.133 29.939 29.762 0.074 0.000 1.375 651 H HN 0.276 nan 8.280 nan 0.000 0.495 652 K N 0.098 120.723 120.400 0.375 0.000 2.074 652 K HA -0.248 4.073 4.320 0.002 0.000 0.209 652 K C 2.280 178.993 176.600 0.188 0.000 1.048 652 K CA 1.846 58.313 56.287 0.301 0.000 0.926 652 K CB -0.117 32.535 32.500 0.252 0.000 0.713 652 K HN 0.481 nan 8.250 nan 0.000 0.444 653 E N 0.375 120.668 120.200 0.156 0.000 2.072 653 E HA -0.165 4.186 4.350 0.002 0.000 0.191 653 E C 2.075 178.738 176.600 0.105 0.000 0.985 653 E CA 1.236 57.706 56.400 0.116 0.000 0.801 653 E CB 0.024 29.787 29.700 0.104 0.000 0.750 653 E HN 0.104 nan 8.360 nan 0.000 0.452 654 S N -0.320 115.440 115.700 0.099 0.000 2.387 654 S HA -0.101 4.371 4.470 0.002 0.000 0.226 654 S C 1.827 176.460 174.600 0.055 0.000 1.026 654 S CA 0.744 59.008 58.200 0.108 0.000 0.972 654 S CB -0.243 63.000 63.200 0.073 0.000 0.814 654 S HN 0.327 nan 8.310 nan 0.000 0.477 655 L N 2.768 123.994 121.223 0.004 0.000 2.093 655 L HA 0.034 4.376 4.340 0.002 0.000 0.208 655 L C 1.785 178.620 176.870 -0.058 0.000 1.085 655 L CA 1.744 56.538 54.840 -0.077 0.000 0.755 655 L CB -1.196 40.814 42.059 -0.081 0.000 0.904 655 L HN 0.245 nan 8.230 nan 0.000 0.435 656 N N -0.006 118.706 118.700 0.020 0.000 2.166 656 N HA -0.223 4.519 4.740 0.002 0.000 0.186 656 N C 1.832 177.356 175.510 0.024 0.000 1.019 656 N CA 1.361 54.431 53.050 0.034 0.000 0.856 656 N CB -0.201 38.328 38.487 0.070 0.000 0.993 656 N HN 0.451 nan 8.380 nan 0.000 0.426 657 K N 0.562 120.990 120.400 0.047 0.000 2.062 657 K HA -0.060 4.261 4.320 0.002 0.000 0.205 657 K C 1.997 178.582 176.600 -0.024 0.000 1.051 657 K CA 0.482 56.818 56.287 0.083 0.000 0.941 657 K CB -0.163 32.450 32.500 0.189 0.000 0.719 657 K HN -0.014 nan 8.250 nan 0.000 0.440 658 L N 1.309 122.382 121.223 -0.251 0.000 1.990 658 L HA -0.242 4.099 4.340 0.002 0.000 0.213 658 L C 2.165 178.764 176.870 -0.452 0.000 1.072 658 L CA 1.851 56.239 54.840 -0.754 0.000 0.755 658 L CB -0.479 41.047 42.059 -0.888 0.000 0.889 658 L HN 0.256 nan 8.230 nan 0.000 0.432 659 M N -0.350 119.088 119.600 -0.270 0.000 2.080 659 M HA -0.212 4.269 4.480 0.002 0.000 0.260 659 M C 2.301 178.617 176.300 0.026 0.000 1.068 659 M CA 1.919 57.136 55.300 -0.138 0.000 1.109 659 M CB -1.394 31.224 32.600 0.029 0.000 1.342 659 M HN 0.305 nan 8.290 nan 0.000 0.405 660 K N 0.900 121.328 120.400 0.047 0.000 2.218 660 K HA -0.129 4.193 4.320 0.002 0.000 0.205 660 K C 1.315 177.977 176.600 0.103 0.000 1.046 660 K CA 1.743 58.092 56.287 0.102 0.000 0.933 660 K CB -0.483 32.068 32.500 0.085 0.000 0.728 660 K HN 0.583 nan 8.250 nan 0.000 0.454 661 N N -0.532 118.180 118.700 0.020 0.000 2.305 661 N HA 0.028 4.769 4.740 0.002 0.000 0.179 661 N C 1.602 177.099 175.510 -0.021 0.000 1.019 661 N CA 0.835 53.916 53.050 0.051 0.000 0.869 661 N CB -0.024 38.490 38.487 0.045 0.000 1.000 661 N HN 0.058 nan 8.380 nan 0.000 0.431 662 L N 0.198 121.251 121.223 -0.283 0.000 2.017 662 L HA -0.157 4.185 4.340 0.002 0.000 0.208 662 L C 1.468 178.244 176.870 -0.157 0.000 1.073 662 L CA 1.297 55.842 54.840 -0.492 0.000 0.745 662 L CB -0.479 40.828 42.059 -1.253 0.000 0.894 662 L HN 0.243 nan 8.230 nan 0.000 0.432 663 Y N -1.215 119.125 120.300 0.066 0.000 2.680 663 Y HA -0.110 4.441 4.550 0.002 0.000 0.303 663 Y C 2.190 178.212 175.900 0.203 0.000 1.166 663 Y CA 0.324 58.610 58.100 0.310 0.000 1.344 663 Y CB 0.001 38.583 38.460 0.204 0.000 1.002 663 Y HN 0.056 nan 8.280 nan 0.000 0.537 664 S N -0.897 114.964 115.700 0.268 0.000 2.568 664 S HA 0.073 4.545 4.470 0.002 0.000 0.232 664 S C 0.540 175.242 174.600 0.170 0.000 0.975 664 S CA 0.190 58.516 58.200 0.209 0.000 0.949 664 S CB -0.063 63.258 63.200 0.202 0.000 0.829 664 S HN 0.452 nan 8.310 nan 0.000 0.479 665 T N -1.553 113.116 114.554 0.192 0.000 2.883 665 T HA 0.439 4.791 4.350 0.002 0.000 0.296 665 T C -0.914 173.891 174.700 0.174 0.000 1.117 665 T CA -0.736 61.452 62.100 0.147 0.000 1.006 665 T CB 1.383 70.358 68.868 0.178 0.000 1.191 665 T HN 0.246 nan 8.240 nan 0.000 0.508 666 H N 2.896 121.951 119.070 -0.025 0.000 2.782 666 H HA 0.439 4.996 4.556 0.002 0.000 0.285 666 H C -2.370 172.798 175.328 -0.267 0.000 1.093 666 H CA -2.287 53.673 56.048 -0.146 0.000 1.410 666 H CB 1.079 30.744 29.762 -0.162 0.000 1.439 666 H HN 0.399 nan 8.280 nan 0.000 0.469 667 P HA 0.192 nan 4.420 nan 0.000 0.282 667 P C -1.043 175.701 177.300 -0.927 0.000 1.259 667 P CA -0.333 62.497 63.100 -0.449 0.000 0.826 667 P CB 2.047 33.575 31.700 -0.287 0.000 1.064 668 H N 0.352 119.105 119.070 -0.529 0.000 2.930 668 H HA 0.430 4.988 4.556 0.002 0.000 0.371 668 H C -0.981 174.027 175.328 -0.534 0.000 1.169 668 H CA -0.212 55.681 56.048 -0.259 0.000 1.157 668 H CB 1.342 31.078 29.762 -0.044 0.000 1.789 668 H HN 0.294 nan 8.280 nan 0.000 0.547 669 F N 1.106 121.263 119.950 0.345 0.000 2.496 669 F HA 0.337 4.866 4.527 0.002 0.000 0.341 669 F C 0.036 176.058 175.800 0.370 0.000 1.134 669 F CA -0.758 57.468 58.000 0.378 0.000 0.968 669 F CB 1.465 40.766 39.000 0.501 0.000 1.205 669 F HN 0.074 nan 8.300 nan 0.000 0.436 670 V N 4.098 124.232 119.914 0.366 0.000 2.547 670 V HA 0.623 4.744 4.120 0.002 0.000 0.299 670 V C -0.184 176.023 176.094 0.188 0.000 1.040 670 V CA -0.927 61.539 62.300 0.277 0.000 0.913 670 V CB 1.969 33.917 31.823 0.207 0.000 0.992 670 V HN 0.542 nan 8.190 nan 0.000 0.449 671 R N 2.319 122.888 120.500 0.115 0.000 2.487 671 R HA 0.376 4.718 4.340 0.002 0.000 0.288 671 R C -1.140 175.149 176.300 -0.018 0.000 1.394 671 R CA -0.337 55.761 56.100 -0.004 0.000 1.155 671 R CB 1.027 31.237 30.300 -0.151 0.000 1.156 671 R HN 0.673 nan 8.270 nan 0.000 0.553 672 C N 3.355 122.647 119.300 -0.012 0.000 2.601 672 C HA 0.509 4.970 4.460 0.002 0.000 0.409 672 C C 1.026 175.966 174.990 -0.084 0.000 1.293 672 C CA -0.305 58.684 59.018 -0.048 0.000 2.101 672 C CB -0.278 27.443 27.740 -0.031 0.000 2.639 672 C HN 0.622 nan 8.230 nan 0.000 0.592 673 I N 3.037 123.525 120.570 -0.135 0.000 2.582 673 I HA 0.380 4.551 4.170 0.002 0.000 0.292 673 I C -0.399 175.609 176.117 -0.181 0.000 1.066 673 I CA -0.478 60.735 61.300 -0.145 0.000 1.053 673 I CB 1.473 39.373 38.000 -0.167 0.000 1.241 673 I HN 0.497 nan 8.210 nan 0.000 0.421 674 I N 8.123 128.625 120.570 -0.114 0.000 2.347 674 I HA 0.134 4.306 4.170 0.002 0.000 0.294 674 I C -1.172 174.886 176.117 -0.098 0.000 1.090 674 I CA -1.315 59.931 61.300 -0.090 0.000 1.314 674 I CB 0.790 38.792 38.000 0.003 0.000 1.423 674 I HN 0.399 nan 8.210 nan 0.000 0.503 675 P HA -0.112 nan 4.420 nan 0.000 0.217 675 P C -0.475 176.835 177.300 0.016 0.000 1.151 675 P CA 1.326 64.337 63.100 -0.148 0.000 0.828 675 P CB 0.047 31.587 31.700 -0.266 0.000 0.788 676 N N -2.924 115.839 118.700 0.107 0.000 2.823 676 N HA 0.117 4.859 4.740 0.002 0.000 0.251 676 N C 0.421 175.996 175.510 0.109 0.000 1.392 676 N CA -0.730 52.386 53.050 0.109 0.000 0.864 676 N CB 0.375 38.940 38.487 0.130 0.000 1.481 676 N HN -0.388 nan 8.380 nan 0.000 0.508 677 E N 0.202 120.434 120.200 0.054 0.000 2.072 677 E HA 0.011 4.362 4.350 0.002 0.000 0.191 677 E C 0.219 176.827 176.600 0.012 0.000 0.985 677 E CA 1.070 57.487 56.400 0.028 0.000 0.801 677 E CB -0.118 29.582 29.700 0.001 0.000 0.750 677 E HN 0.554 nan 8.360 nan 0.000 0.452 678 L N 2.344 123.570 121.223 0.005 0.000 2.466 678 L HA 0.165 4.506 4.340 0.002 0.000 0.248 678 L C -0.121 176.690 176.870 -0.097 0.000 1.240 678 L CA -0.408 54.409 54.840 -0.039 0.000 1.180 678 L CB -0.355 41.688 42.059 -0.027 0.000 1.413 678 L HN -0.223 nan 8.230 nan 0.000 0.406 679 K N 1.617 121.892 120.400 -0.210 0.000 3.072 679 K HA -0.162 4.159 4.320 0.002 0.000 0.240 679 K C 0.338 176.586 176.600 -0.588 0.000 1.210 679 K CA 0.425 56.280 56.287 -0.720 0.000 1.234 679 K CB -1.254 30.753 32.500 -0.821 0.000 1.244 679 K HN 0.622 nan 8.250 nan 0.000 0.500 680 T N -0.368 114.077 114.554 -0.182 0.000 2.933 680 T HA 0.443 4.795 4.350 0.002 0.000 0.305 680 T C -2.876 171.972 174.700 0.247 0.000 1.092 680 T CA -2.549 59.554 62.100 0.004 0.000 1.008 680 T CB 2.415 71.292 68.868 0.014 0.000 1.102 680 T HN -0.111 nan 8.240 nan 0.000 0.469 681 P HA 0.291 nan 4.420 nan 0.000 0.270 681 P C 1.303 178.634 177.300 0.051 0.000 1.227 681 P CA 0.963 64.159 63.100 0.159 0.000 0.788 681 P CB 0.017 31.751 31.700 0.058 0.000 0.926 682 G N -0.135 108.543 108.800 -0.204 0.000 2.256 682 G HA2 -0.264 3.698 3.960 0.002 0.000 0.279 682 G HA3 -0.264 3.698 3.960 0.002 0.000 0.279 682 G C -0.091 174.818 174.900 0.015 0.000 0.998 682 G CA 0.336 45.220 45.100 -0.359 0.000 0.720 682 G HN 0.524 nan 8.290 nan 0.000 0.521 683 L N 0.687 122.053 121.223 0.238 0.000 2.307 683 L HA 0.749 5.091 4.340 0.002 0.000 0.284 683 L C -0.337 176.705 176.870 0.287 0.000 1.023 683 L CA -1.285 53.691 54.840 0.227 0.000 0.810 683 L CB 1.135 43.290 42.059 0.160 0.000 1.231 683 L HN 0.016 nan 8.230 nan 0.000 0.423 684 I N 4.155 124.853 120.570 0.214 0.000 2.406 684 I HA 0.311 4.482 4.170 0.002 0.000 0.290 684 I C -0.561 175.621 176.117 0.108 0.000 0.999 684 I CA -0.467 60.922 61.300 0.149 0.000 1.124 684 I CB 1.559 39.646 38.000 0.146 0.000 1.289 684 I HN 0.573 nan 8.210 nan 0.000 0.441 685 D N 5.195 125.634 120.400 0.066 0.000 2.359 685 D HA 0.407 5.048 4.640 0.002 0.000 0.230 685 D C 0.773 177.096 176.300 0.039 0.000 1.118 685 D CA -0.206 53.820 54.000 0.044 0.000 0.844 685 D CB 2.034 42.850 40.800 0.026 0.000 1.059 685 D HN 0.643 nan 8.370 nan 0.000 0.493 686 A N 4.185 127.035 122.820 0.050 0.000 1.858 686 A HA -0.088 4.233 4.320 0.002 0.000 0.216 686 A C 2.071 179.676 177.584 0.035 0.000 1.190 686 A CA 1.954 54.024 52.037 0.055 0.000 0.617 686 A CB -0.688 18.357 19.000 0.074 0.000 0.827 686 A HN 0.642 nan 8.150 nan 0.000 0.443 687 A N -0.735 122.090 122.820 0.009 0.000 1.902 687 A HA -0.033 4.289 4.320 0.002 0.000 0.217 687 A C 2.153 179.760 177.584 0.040 0.000 1.181 687 A CA 1.774 53.817 52.037 0.010 0.000 0.623 687 A CB -0.631 18.353 19.000 -0.026 0.000 0.818 687 A HN 0.713 nan 8.150 nan 0.000 0.443 688 L N -0.176 121.061 121.223 0.024 0.000 2.046 688 L HA -0.099 4.242 4.340 0.002 0.000 0.208 688 L C 2.385 179.297 176.870 0.070 0.000 1.077 688 L CA 1.850 56.715 54.840 0.041 0.000 0.747 688 L CB -0.528 41.540 42.059 0.015 0.000 0.896 688 L HN 0.149 nan 8.230 nan 0.000 0.432 689 V N -0.311 119.622 119.914 0.030 0.000 2.261 689 V HA -0.309 3.813 4.120 0.002 0.000 0.246 689 V C 2.569 178.670 176.094 0.011 0.000 1.047 689 V CA 2.076 64.376 62.300 0.000 0.000 1.015 689 V CB -0.533 31.276 31.823 -0.023 0.000 0.642 689 V HN 0.435 nan 8.190 nan 0.000 0.446 690 L N -0.466 120.779 121.223 0.037 0.000 2.012 690 L HA -0.276 4.066 4.340 0.002 0.000 0.210 690 L C 2.600 179.483 176.870 0.021 0.000 1.073 690 L CA 2.402 57.263 54.840 0.035 0.000 0.748 690 L CB -1.026 41.078 42.059 0.075 0.000 0.891 690 L HN 0.489 nan 8.230 nan 0.000 0.431 691 H N 0.401 119.458 119.070 -0.022 0.000 2.289 691 H HA -0.239 4.318 4.556 0.002 0.000 0.296 691 H C 2.349 177.654 175.328 -0.038 0.000 1.091 691 H CA 2.289 58.320 56.048 -0.028 0.000 1.274 691 H CB -0.036 29.719 29.762 -0.012 0.000 1.364 691 H HN 0.347 nan 8.280 nan 0.000 0.490 692 Q N -0.073 119.692 119.800 -0.058 0.000 2.124 692 Q HA -0.104 4.238 4.340 0.002 0.000 0.202 692 Q C 2.601 178.505 176.000 -0.160 0.000 0.977 692 Q CA 1.470 57.207 55.803 -0.110 0.000 0.850 692 Q CB -0.033 28.689 28.738 -0.027 0.000 0.901 692 Q HN 0.505 nan 8.270 nan 0.000 0.429 693 L N 0.360 121.504 121.223 -0.132 0.000 2.131 693 L HA -0.182 4.160 4.340 0.002 0.000 0.210 693 L C 2.411 179.188 176.870 -0.155 0.000 1.092 693 L CA 1.231 55.983 54.840 -0.147 0.000 0.759 693 L CB -0.419 41.580 42.059 -0.101 0.000 0.903 693 L HN 0.229 nan 8.230 nan 0.000 0.435 694 R N -0.981 119.413 120.500 -0.177 0.000 2.119 694 R HA -0.053 4.289 4.340 0.002 0.000 0.222 694 R C 2.262 178.406 176.300 -0.260 0.000 1.088 694 R CA 1.268 57.248 56.100 -0.200 0.000 0.984 694 R CB -0.382 29.777 30.300 -0.236 0.000 0.884 694 R HN 0.394 nan 8.270 nan 0.000 0.447 695 C N 0.634 119.750 119.300 -0.305 0.000 2.485 695 C HA 0.105 4.566 4.460 0.002 0.000 0.277 695 C C 2.242 177.243 174.990 0.018 0.000 1.376 695 C CA -0.134 58.744 59.018 -0.232 0.000 1.759 695 C CB -0.889 26.738 27.740 -0.189 0.000 1.970 695 C HN 0.475 nan 8.230 nan 0.000 0.509 696 N N 0.657 119.304 118.700 -0.089 0.000 2.104 696 N HA -0.068 4.674 4.740 0.002 0.000 0.190 696 N C 1.769 177.124 175.510 -0.257 0.000 1.024 696 N CA 2.082 55.023 53.050 -0.182 0.000 0.853 696 N CB -0.231 38.065 38.487 -0.319 0.000 1.008 696 N HN 0.646 nan 8.380 nan 0.000 0.424 697 G N -1.059 107.639 108.800 -0.171 0.000 2.179 697 G HA2 -0.246 3.715 3.960 0.002 0.000 0.220 697 G HA3 -0.246 3.715 3.960 0.002 0.000 0.220 697 G C 1.016 175.776 174.900 -0.234 0.000 0.990 697 G CA 0.389 45.362 45.100 -0.212 0.000 0.646 697 G HN 0.222 nan 8.290 nan 0.000 0.517 698 V N 1.110 120.749 119.914 -0.460 0.000 2.270 698 V HA -0.049 4.072 4.120 0.002 0.000 0.245 698 V C 2.831 178.911 176.094 -0.024 0.000 1.043 698 V CA 2.322 64.415 62.300 -0.346 0.000 1.014 698 V CB -0.440 31.131 31.823 -0.420 0.000 0.645 698 V HN 0.447 nan 8.190 nan 0.000 0.447 699 L N -0.045 121.144 121.223 -0.057 0.000 2.362 699 L HA -0.158 4.183 4.340 0.002 0.000 0.219 699 L C 2.483 179.368 176.870 0.025 0.000 1.134 699 L CA 1.377 56.210 54.840 -0.011 0.000 0.807 699 L CB -0.369 41.671 42.059 -0.031 0.000 0.927 699 L HN 0.443 nan 8.230 nan 0.000 0.447 700 E N 0.464 120.691 120.200 0.045 0.000 2.076 700 E HA -0.104 4.247 4.350 0.002 0.000 0.190 700 E C 2.141 178.779 176.600 0.064 0.000 0.979 700 E CA 1.271 57.710 56.400 0.066 0.000 0.807 700 E CB -0.270 29.475 29.700 0.075 0.000 0.761 700 E HN 0.246 nan 8.360 nan 0.000 0.454 701 G N 0.476 109.361 108.800 0.143 0.000 2.432 701 G HA2 -0.217 3.744 3.960 0.002 0.000 0.219 701 G HA3 -0.217 3.744 3.960 0.002 0.000 0.219 701 G C 1.582 176.512 174.900 0.049 0.000 1.135 701 G CA 0.984 46.184 45.100 0.167 0.000 0.767 701 G HN 0.314 nan 8.290 nan 0.000 0.550 702 I N -0.156 120.453 120.570 0.065 0.000 2.439 702 I HA 0.017 4.189 4.170 0.002 0.000 0.251 702 I C 2.686 178.797 176.117 -0.011 0.000 1.139 702 I CA 0.501 61.818 61.300 0.029 0.000 1.438 702 I CB -0.094 37.930 38.000 0.039 0.000 1.085 702 I HN 0.053 nan 8.210 nan 0.000 0.427 703 R N 0.933 121.425 120.500 -0.014 0.000 2.105 703 R HA -0.156 4.186 4.340 0.002 0.000 0.239 703 R C 2.201 178.445 176.300 -0.093 0.000 1.135 703 R CA 1.561 57.644 56.100 -0.028 0.000 0.967 703 R CB -0.202 30.095 30.300 -0.006 0.000 0.861 703 R HN 0.340 nan 8.270 nan 0.000 0.442 704 I N -0.413 120.050 120.570 -0.178 0.000 2.500 704 I HA -0.258 3.914 4.170 0.002 0.000 0.252 704 I C 2.359 178.285 176.117 -0.318 0.000 1.142 704 I CA 0.410 61.470 61.300 -0.399 0.000 1.451 704 I CB -0.163 37.415 38.000 -0.703 0.000 1.093 704 I HN 0.280 nan 8.210 nan 0.000 0.430 705 C N 0.769 119.974 119.300 -0.158 0.000 2.432 705 C HA -0.132 4.329 4.460 0.002 0.000 0.277 705 C C 2.904 177.882 174.990 -0.020 0.000 1.249 705 C CA 0.823 59.809 59.018 -0.055 0.000 1.725 705 C CB -1.083 26.655 27.740 -0.003 0.000 2.028 705 C HN 0.420 nan 8.230 nan 0.000 0.477 706 R N 1.255 121.739 120.500 -0.026 0.000 2.133 706 R HA -0.193 4.149 4.340 0.002 0.000 0.247 706 R C 2.036 178.331 176.300 -0.007 0.000 1.151 706 R CA 1.896 57.995 56.100 -0.002 0.000 0.971 706 R CB -0.300 30.001 30.300 0.002 0.000 0.866 706 R HN 0.709 nan 8.270 nan 0.000 0.447 707 K N -0.361 120.019 120.400 -0.032 0.000 2.525 707 K HA 0.066 4.388 4.320 0.002 0.000 0.192 707 K C 0.882 177.554 176.600 0.120 0.000 1.029 707 K CA 0.958 57.264 56.287 0.032 0.000 1.029 707 K CB 0.507 33.013 32.500 0.010 0.000 0.814 707 K HN 0.135 nan 8.250 nan 0.000 0.503 708 G N 0.500 109.331 108.800 0.053 0.000 3.264 708 G HA2 0.444 4.406 3.960 0.002 0.000 0.168 708 G HA3 0.444 4.406 3.960 0.002 0.000 0.168 708 G C -1.244 173.603 174.900 -0.088 0.000 1.145 708 G CA -1.004 44.174 45.100 0.130 0.000 0.855 708 G HN 0.142 nan 8.290 nan 0.000 0.629 709 F N 2.122 122.383 119.950 0.518 0.000 2.319 709 F HA 0.338 4.866 4.527 0.002 0.000 0.356 709 F C -1.230 174.712 175.800 0.236 0.000 1.100 709 F CA -1.734 56.495 58.000 0.382 0.000 1.220 709 F CB 2.130 41.409 39.000 0.465 0.000 1.506 709 F HN 0.171 nan 8.300 nan 0.000 0.512 710 P HA -0.137 nan 4.420 nan 0.000 0.217 710 P C -0.165 177.166 177.300 0.052 0.000 1.150 710 P CA 1.089 64.269 63.100 0.133 0.000 0.832 710 P CB 0.291 32.047 31.700 0.093 0.000 0.787 711 N N 1.385 120.146 118.700 0.101 0.000 2.488 711 N HA 0.205 4.946 4.740 0.002 0.000 0.274 711 N C -0.010 175.427 175.510 -0.122 0.000 1.111 711 N CA 0.096 53.190 53.050 0.074 0.000 0.974 711 N CB 0.581 39.222 38.487 0.257 0.000 1.089 711 N HN 0.131 nan 8.380 nan 0.000 0.465 712 R N 1.874 122.226 120.500 -0.247 0.000 2.510 712 R HA 0.466 4.808 4.340 0.002 0.000 0.294 712 R C -0.946 175.175 176.300 -0.298 0.000 1.056 712 R CA -0.608 55.179 56.100 -0.522 0.000 0.918 712 R CB 1.076 30.845 30.300 -0.886 0.000 1.187 712 R HN 0.399 nan 8.270 nan 0.000 0.437 713 I N 3.986 124.381 120.570 -0.292 0.000 2.441 713 I HA 0.385 4.557 4.170 0.002 0.000 0.295 713 I C 0.342 176.330 176.117 -0.214 0.000 0.994 713 I CA -0.747 60.475 61.300 -0.129 0.000 1.144 713 I CB 1.548 39.610 38.000 0.103 0.000 1.314 713 I HN 0.442 nan 8.210 nan 0.000 0.445 714 I N 4.134 124.625 120.570 -0.130 0.000 2.634 714 I HA 0.050 4.221 4.170 0.002 0.000 0.284 714 I C 0.795 176.878 176.117 -0.058 0.000 1.124 714 I CA -0.120 61.082 61.300 -0.164 0.000 1.417 714 I CB -0.003 37.963 38.000 -0.058 0.000 1.396 714 I HN 0.609 nan 8.210 nan 0.000 0.571 715 Y N 3.167 123.493 120.300 0.044 0.000 2.139 715 Y HA -0.343 4.209 4.550 0.002 0.000 0.282 715 Y C 2.900 178.882 175.900 0.138 0.000 1.179 715 Y CA 1.727 59.876 58.100 0.082 0.000 1.161 715 Y CB -0.305 38.178 38.460 0.039 0.000 0.970 715 Y HN 0.843 nan 8.280 nan 0.000 0.511 716 S N -0.036 115.802 115.700 0.229 0.000 2.359 716 S HA -0.256 4.216 4.470 0.002 0.000 0.224 716 S C 1.648 176.319 174.600 0.119 0.000 1.035 716 S CA 1.586 59.874 58.200 0.148 0.000 1.018 716 S CB -0.586 62.667 63.200 0.089 0.000 0.876 716 S HN 0.547 nan 8.310 nan 0.000 0.448 717 E N 0.026 120.288 120.200 0.104 0.000 2.153 717 E HA -0.071 4.281 4.350 0.002 0.000 0.194 717 E C 1.704 178.359 176.600 0.092 0.000 0.988 717 E CA 1.188 57.624 56.400 0.060 0.000 0.811 717 E CB -0.265 29.465 29.700 0.049 0.000 0.746 717 E HN 0.670 nan 8.360 nan 0.000 0.466 718 F N 1.858 121.866 119.950 0.096 0.000 2.128 718 F HA -0.115 4.413 4.527 0.003 0.000 0.295 718 F C 2.325 178.222 175.800 0.160 0.000 1.100 718 F CA 1.425 59.549 58.000 0.208 0.000 1.260 718 F CB 0.048 39.223 39.000 0.293 0.000 1.009 718 F HN -0.232 nan 8.300 nan 0.000 0.476 719 K N 0.300 120.867 120.400 0.278 0.000 2.032 719 K HA -0.310 4.012 4.320 0.002 0.000 0.209 719 K C 2.225 178.813 176.600 -0.019 0.000 1.048 719 K CA 2.030 58.406 56.287 0.147 0.000 0.927 719 K CB -0.510 32.081 32.500 0.151 0.000 0.712 719 K HN 0.472 nan 8.250 nan 0.000 0.441 720 Q N -0.029 119.741 119.800 -0.050 0.000 2.224 720 Q HA -0.175 4.166 4.340 0.002 0.000 0.203 720 Q C 1.935 177.798 176.000 -0.229 0.000 0.970 720 Q CA 1.190 56.925 55.803 -0.113 0.000 0.865 720 Q CB 0.109 28.794 28.738 -0.089 0.000 0.922 720 Q HN 0.147 nan 8.270 nan 0.000 0.445 721 R N -0.994 119.276 120.500 -0.384 0.000 2.156 721 R HA 0.009 4.350 4.340 0.002 0.000 0.207 721 R C 0.510 176.281 176.300 -0.882 0.000 1.040 721 R CA 1.263 56.943 56.100 -0.701 0.000 1.013 721 R CB 0.142 29.845 30.300 -0.995 0.000 0.931 721 R HN 0.365 nan 8.270 nan 0.000 0.465 722 Y N -1.132 118.931 120.300 -0.396 0.000 2.500 722 Y HA 0.352 4.903 4.550 0.002 0.000 0.246 722 Y C 1.755 177.529 175.900 -0.210 0.000 1.146 722 Y CA -0.165 57.707 58.100 -0.381 0.000 1.230 722 Y CB 0.647 38.689 38.460 -0.697 0.000 1.214 722 Y HN -0.064 nan 8.280 nan 0.000 0.526 723 S N 1.096 116.766 115.700 -0.049 0.000 2.413 723 S HA -0.260 4.212 4.470 0.002 0.000 0.237 723 S C 1.935 176.533 174.600 -0.003 0.000 1.044 723 S CA 1.546 59.746 58.200 -0.001 0.000 1.024 723 S CB -0.387 62.802 63.200 -0.018 0.000 0.829 723 S HN 0.556 nan 8.310 nan 0.000 0.475 724 I N 0.960 121.513 120.570 -0.028 0.000 2.800 724 I HA -0.125 4.046 4.170 0.002 0.000 0.266 724 I C 1.239 177.359 176.117 0.005 0.000 1.249 724 I CA 1.001 62.288 61.300 -0.022 0.000 1.458 724 I CB -0.020 37.954 38.000 -0.043 0.000 1.093 724 I HN 0.298 nan 8.210 nan 0.000 0.466 725 L N 0.595 121.834 121.223 0.027 0.000 2.509 725 L HA 0.152 4.493 4.340 0.002 0.000 0.222 725 L C 0.909 177.800 176.870 0.033 0.000 1.123 725 L CA 0.437 55.296 54.840 0.033 0.000 0.856 725 L CB -0.080 42.002 42.059 0.039 0.000 0.985 725 L HN 0.284 nan 8.230 nan 0.000 0.456 726 A N -0.121 122.722 122.820 0.038 0.000 3.464 726 A HA 0.457 4.778 4.320 0.002 0.000 0.243 726 A C -2.561 175.042 177.584 0.033 0.000 1.100 726 A CA -0.737 51.324 52.037 0.039 0.000 0.957 726 A CB -0.308 18.725 19.000 0.055 0.000 1.340 726 A HN -0.083 nan 8.150 nan 0.000 0.645 727 P HA 0.401 nan 4.420 nan 0.000 0.270 727 P C -0.339 176.972 177.300 0.017 0.000 1.223 727 P CA 0.126 63.234 63.100 0.012 0.000 0.785 727 P CB 0.659 32.359 31.700 0.001 0.000 0.923 728 N N -1.299 117.410 118.700 0.015 0.000 2.708 728 N HA 0.472 5.213 4.740 0.002 0.000 0.257 728 N C -0.036 175.484 175.510 0.016 0.000 1.373 728 N CA -0.834 52.228 53.050 0.020 0.000 0.843 728 N CB 0.274 38.777 38.487 0.027 0.000 1.503 728 N HN 0.147 nan 8.380 nan 0.000 0.504 729 A N -0.160 122.673 122.820 0.022 0.000 2.121 729 A HA 0.136 4.458 4.320 0.002 0.000 0.218 729 A C 0.308 177.909 177.584 0.029 0.000 1.154 729 A CA 0.463 52.513 52.037 0.022 0.000 0.679 729 A CB -0.607 18.410 19.000 0.028 0.000 0.795 729 A HN 0.490 nan 8.150 nan 0.000 0.458 730 V N 3.226 123.165 119.914 0.041 0.000 2.509 730 V HA 0.071 4.192 4.120 0.002 0.000 0.297 730 V C -1.927 174.182 176.094 0.024 0.000 1.014 730 V CA -1.092 61.248 62.300 0.067 0.000 1.127 730 V CB -0.045 31.828 31.823 0.083 0.000 0.925 730 V HN 0.377 nan 8.190 nan 0.000 0.480 731 P HA 0.037 nan 4.420 nan 0.000 0.261 731 P C 1.011 178.177 177.300 -0.223 0.000 1.183 731 P CA 0.301 63.299 63.100 -0.169 0.000 0.761 731 P CB 0.695 32.195 31.700 -0.333 0.000 0.785 732 S N 3.441 119.039 115.700 -0.171 0.000 2.409 732 S HA -0.201 4.271 4.470 0.002 0.000 0.237 732 S C 2.058 176.565 174.600 -0.155 0.000 1.060 732 S CA 2.052 60.174 58.200 -0.129 0.000 1.052 732 S CB -0.852 62.282 63.200 -0.109 0.000 0.871 732 S HN 0.795 nan 8.310 nan 0.000 0.465 733 G N -1.192 107.423 108.800 -0.308 0.000 2.679 733 G HA2 0.047 4.008 3.960 0.002 0.000 0.212 733 G HA3 0.047 4.008 3.960 0.002 0.000 0.212 733 G C 0.865 175.699 174.900 -0.111 0.000 1.137 733 G CA 0.058 44.998 45.100 -0.268 0.000 0.787 733 G HN 0.596 nan 8.290 nan 0.000 0.534 734 F N 0.386 120.338 119.950 0.004 0.000 2.712 734 F HA 0.429 4.957 4.527 0.002 0.000 0.297 734 F C 1.750 177.553 175.800 0.004 0.000 1.114 734 F CA -0.548 57.454 58.000 0.003 0.000 1.305 734 F CB 0.541 39.542 39.000 0.002 0.000 1.086 734 F HN 0.080 nan 8.300 nan 0.000 0.599 735 A N 1.708 124.616 122.820 0.147 0.000 2.492 735 A HA 0.001 4.323 4.320 0.002 0.000 0.254 735 A C -0.142 177.484 177.584 0.070 0.000 1.091 735 A CA -0.230 51.862 52.037 0.091 0.000 0.768 735 A CB -0.192 18.840 19.000 0.054 0.000 1.028 735 A HN 0.243 nan 8.150 nan 0.000 0.498 736 D N 2.820 123.252 120.400 0.053 0.000 2.390 736 D HA 0.172 4.814 4.640 0.002 0.000 0.249 736 D C 1.434 177.746 176.300 0.020 0.000 1.144 736 D CA 0.704 54.722 54.000 0.030 0.000 0.880 736 D CB 1.323 42.122 40.800 -0.001 0.000 1.182 736 D HN 0.471 nan 8.370 nan 0.000 0.451 737 G N 4.418 113.245 108.800 0.045 0.000 2.446 737 G HA2 -0.314 3.647 3.960 0.002 0.000 0.217 737 G HA3 -0.314 3.647 3.960 0.002 0.000 0.217 737 G C 1.431 176.315 174.900 -0.026 0.000 1.168 737 G CA 0.924 46.078 45.100 0.091 0.000 0.771 737 G HN 0.609 nan 8.290 nan 0.000 0.551 738 K N -0.039 120.181 120.400 -0.300 0.000 2.026 738 K HA -0.035 4.287 4.320 0.002 0.000 0.208 738 K C 2.622 179.001 176.600 -0.370 0.000 1.048 738 K CA 1.275 57.061 56.287 -0.834 0.000 0.929 738 K CB -0.354 31.532 32.500 -1.025 0.000 0.713 738 K HN 0.161 nan 8.250 nan 0.000 0.439 739 V N 1.005 120.803 119.914 -0.194 0.000 2.282 739 V HA -0.281 3.841 4.120 0.002 0.000 0.249 739 V C 2.373 178.448 176.094 -0.032 0.000 1.057 739 V CA 1.806 64.051 62.300 -0.091 0.000 1.032 739 V CB -0.269 31.530 31.823 -0.041 0.000 0.645 739 V HN 0.201 nan 8.190 nan 0.000 0.447 740 V N -0.482 119.439 119.914 0.011 0.000 2.295 740 V HA -0.280 3.842 4.120 0.002 0.000 0.246 740 V C 2.548 178.733 176.094 0.151 0.000 1.049 740 V CA 2.657 65.009 62.300 0.087 0.000 1.024 740 V CB -0.941 30.956 31.823 0.124 0.000 0.648 740 V HN 0.630 nan 8.190 nan 0.000 0.447 741 T N -0.507 114.142 114.554 0.159 0.000 2.684 741 T HA -0.248 4.103 4.350 0.002 0.000 0.267 741 T C 1.792 176.500 174.700 0.012 0.000 1.036 741 T CA 1.872 64.064 62.100 0.153 0.000 1.148 741 T CB -0.426 68.401 68.868 -0.069 0.000 0.863 741 T HN 0.517 nan 8.240 nan 0.000 0.436 742 D N 0.889 121.267 120.400 -0.037 0.000 2.123 742 D HA -0.076 4.565 4.640 0.002 0.000 0.196 742 D C 2.085 178.407 176.300 0.037 0.000 0.992 742 D CA 1.193 55.189 54.000 -0.006 0.000 0.833 742 D CB -0.042 40.738 40.800 -0.033 0.000 0.954 742 D HN 0.351 nan 8.370 nan 0.000 0.455 743 K N -0.188 120.240 120.400 0.046 0.000 2.228 743 K HA 0.120 4.441 4.320 0.002 0.000 0.202 743 K C 2.097 178.743 176.600 0.076 0.000 1.051 743 K CA 0.764 57.084 56.287 0.056 0.000 0.960 743 K CB 0.077 32.606 32.500 0.048 0.000 0.743 743 K HN 0.057 nan 8.250 nan 0.000 0.458 744 A N 1.448 124.342 122.820 0.124 0.000 1.930 744 A HA -0.071 4.250 4.320 0.002 0.000 0.217 744 A C 2.080 179.720 177.584 0.094 0.000 1.175 744 A CA 1.039 53.163 52.037 0.144 0.000 0.627 744 A CB -0.469 18.696 19.000 0.275 0.000 0.815 744 A HN 0.117 nan 8.150 nan 0.000 0.443 745 L N 0.217 121.476 121.223 0.060 0.000 2.027 745 L HA -0.157 4.184 4.340 0.002 0.000 0.206 745 L C 3.088 179.960 176.870 0.003 0.000 1.074 745 L CA 1.647 56.453 54.840 -0.057 0.000 0.745 745 L CB -0.480 41.404 42.059 -0.292 0.000 0.898 745 L HN 0.609 nan 8.230 nan 0.000 0.433 746 S N 0.115 115.850 115.700 0.057 0.000 2.383 746 S HA -0.114 4.357 4.470 0.002 0.000 0.227 746 S C 2.101 176.734 174.600 0.055 0.000 1.026 746 S CA 0.738 58.987 58.200 0.082 0.000 0.981 746 S CB -0.422 62.828 63.200 0.085 0.000 0.818 746 S HN 0.317 nan 8.310 nan 0.000 0.472 747 A N 1.213 124.061 122.820 0.046 0.000 2.125 747 A HA 0.279 4.600 4.320 0.002 0.000 0.219 747 A C 2.063 179.665 177.584 0.030 0.000 1.156 747 A CA 0.863 52.923 52.037 0.038 0.000 0.671 747 A CB -0.636 18.387 19.000 0.039 0.000 0.794 747 A HN 0.588 nan 8.150 nan 0.000 0.459 748 L N -1.793 119.445 121.223 0.024 0.000 2.607 748 L HA 0.069 4.410 4.340 0.002 0.000 0.228 748 L C 0.486 177.369 176.870 0.021 0.000 1.123 748 L CA 0.065 54.911 54.840 0.010 0.000 0.890 748 L CB -0.156 41.892 42.059 -0.019 0.000 1.103 748 L HN 0.453 nan 8.230 nan 0.000 0.468 749 Q N 0.632 120.456 119.800 0.040 0.000 2.434 749 Q HA -0.222 4.120 4.340 0.002 0.000 0.299 749 Q C -0.206 175.836 176.000 0.070 0.000 1.286 749 Q CA 0.291 56.128 55.803 0.057 0.000 0.872 749 Q CB -1.163 27.601 28.738 0.043 0.000 1.193 749 Q HN 0.240 nan 8.270 nan 0.000 0.466 750 L N 1.108 122.381 121.223 0.082 0.000 2.367 750 L HA 0.191 4.532 4.340 0.002 0.000 0.275 750 L C 0.232 177.238 176.870 0.227 0.000 1.129 750 L CA 0.076 54.980 54.840 0.107 0.000 0.839 750 L CB 0.833 42.905 42.059 0.022 0.000 1.133 750 L HN 0.079 nan 8.230 nan 0.000 0.453 751 D N 7.554 128.062 120.400 0.179 0.000 2.570 751 D HA -0.049 4.592 4.640 0.002 0.000 0.243 751 D C -1.548 174.885 176.300 0.222 0.000 1.171 751 D CA -1.150 52.950 54.000 0.168 0.000 0.879 751 D CB 1.016 41.892 40.800 0.126 0.000 1.143 751 D HN 0.439 nan 8.370 nan 0.000 0.511 752 P HA -0.156 nan 4.420 nan 0.000 0.231 752 P C 0.623 177.829 177.300 -0.157 0.000 1.154 752 P CA 0.588 63.597 63.100 -0.151 0.000 0.762 752 P CB 0.381 32.013 31.700 -0.113 0.000 0.790 753 N N -0.125 118.597 118.700 0.037 0.000 2.424 753 N HA -0.033 4.709 4.740 0.002 0.000 0.178 753 N C 1.253 176.917 175.510 0.258 0.000 1.060 753 N CA 0.577 53.693 53.050 0.110 0.000 0.901 753 N CB 0.126 38.669 38.487 0.094 0.000 0.979 753 N HN 0.156 nan 8.380 nan 0.000 0.451 754 E N 0.156 120.544 120.200 0.313 0.000 2.502 754 E HA 0.001 4.353 4.350 0.002 0.000 0.194 754 E C -0.129 176.899 176.600 0.713 0.000 1.062 754 E CA 0.157 56.828 56.400 0.450 0.000 0.867 754 E CB 0.007 29.914 29.700 0.345 0.000 0.888 754 E HN 0.522 nan 8.360 nan 0.000 0.510 755 Y N -2.529 117.995 120.300 0.374 0.000 2.741 755 Y HA 0.609 5.161 4.550 0.002 0.000 0.339 755 Y C -1.119 174.709 175.900 -0.119 0.000 1.226 755 Y CA -1.492 56.746 58.100 0.229 0.000 1.072 755 Y CB 1.056 39.736 38.460 0.368 0.000 1.331 755 Y HN -0.352 nan 8.280 nan 0.000 0.453 756 R N 2.039 122.394 120.500 -0.242 0.000 2.515 756 R HA 0.439 4.781 4.340 0.002 0.000 0.278 756 R C -1.927 174.238 176.300 -0.225 0.000 1.107 756 R CA -0.858 54.990 56.100 -0.420 0.000 0.945 756 R CB 2.498 32.353 30.300 -0.741 0.000 1.219 756 R HN 0.743 nan 8.270 nan 0.000 0.434 757 L N 2.266 123.430 121.223 -0.099 0.000 2.360 757 L HA 0.389 4.730 4.340 0.002 0.000 0.276 757 L C 1.183 178.017 176.870 -0.061 0.000 1.121 757 L CA -0.142 54.718 54.840 0.033 0.000 0.845 757 L CB 0.881 42.998 42.059 0.096 0.000 1.143 757 L HN 0.743 nan 8.230 nan 0.000 0.452 758 G N 1.442 110.223 108.800 -0.032 0.000 2.671 758 G HA2 0.154 4.115 3.960 0.002 0.000 0.275 758 G HA3 0.154 4.115 3.960 0.002 0.000 0.275 758 G C 0.507 175.448 174.900 0.067 0.000 1.368 758 G CA -0.500 44.531 45.100 -0.115 0.000 1.044 758 G HN 0.586 nan 8.290 nan 0.000 0.543 759 N N -0.591 118.120 118.700 0.019 0.000 2.457 759 N HA -0.024 4.717 4.740 0.002 0.000 0.180 759 N C 1.706 177.298 175.510 0.136 0.000 1.050 759 N CA 1.615 54.712 53.050 0.080 0.000 0.906 759 N CB 0.366 38.865 38.487 0.019 0.000 0.968 759 N HN 0.609 nan 8.380 nan 0.000 0.445 760 T N -4.345 110.212 114.554 0.004 0.000 3.073 760 T HA 0.297 4.649 4.350 0.002 0.000 0.264 760 T C 0.269 174.633 174.700 -0.561 0.000 0.893 760 T CA -0.264 61.779 62.100 -0.095 0.000 0.863 760 T CB 0.922 69.759 68.868 -0.052 0.000 1.247 760 T HN -0.096 nan 8.240 nan 0.000 0.546 761 K N 0.464 120.494 120.400 -0.618 0.000 2.480 761 K HA 0.765 5.086 4.320 0.002 0.000 0.258 761 K C -1.816 174.441 176.600 -0.572 0.000 0.990 761 K CA -1.000 54.855 56.287 -0.720 0.000 0.857 761 K CB 3.256 35.575 32.500 -0.302 0.000 1.384 761 K HN 0.017 nan 8.250 nan 0.000 0.446 762 V N 2.476 122.064 119.914 -0.543 0.000 2.435 762 V HA 0.511 4.632 4.120 0.002 0.000 0.290 762 V C -1.440 174.418 176.094 -0.394 0.000 1.030 762 V CA -0.520 61.562 62.300 -0.363 0.000 0.881 762 V CB 0.488 31.971 31.823 -0.568 0.000 0.983 762 V HN 0.601 nan 8.190 nan 0.000 0.445 763 F N 6.882 126.508 119.950 -0.541 0.000 2.410 763 F HA 0.542 5.070 4.527 0.002 0.000 0.349 763 F C 0.049 175.777 175.800 -0.121 0.000 1.117 763 F CA -0.496 57.270 58.000 -0.389 0.000 1.104 763 F CB 1.161 39.887 39.000 -0.457 0.000 1.122 763 F HN 0.396 nan 8.300 nan 0.000 0.483 764 F N 2.860 122.988 119.950 0.297 0.000 2.483 764 F HA 0.474 5.002 4.527 0.003 0.000 0.329 764 F C 0.438 176.482 175.800 0.407 0.000 1.064 764 F CA -1.159 57.040 58.000 0.331 0.000 0.986 764 F CB 1.694 40.793 39.000 0.165 0.000 1.218 764 F HN 0.328 nan 8.300 nan 0.000 0.484 765 K N 0.737 121.469 120.400 0.554 0.000 2.502 765 K HA 0.644 4.966 4.320 0.002 0.000 0.252 765 K C -0.519 176.186 176.600 0.175 0.000 1.043 765 K CA -0.963 55.497 56.287 0.289 0.000 0.999 765 K CB 0.951 33.556 32.500 0.176 0.000 1.343 765 K HN 0.652 nan 8.250 nan 0.000 0.513 766 A N 0.076 122.960 122.820 0.106 0.000 2.546 766 A HA 0.350 4.672 4.320 0.002 0.000 0.243 766 A C 1.084 178.706 177.584 0.064 0.000 1.063 766 A CA 1.109 53.192 52.037 0.078 0.000 0.757 766 A CB -1.018 18.046 19.000 0.107 0.000 0.991 766 A HN 0.860 nan 8.150 nan 0.000 0.503 767 G N 1.183 109.935 108.800 -0.080 0.000 2.267 767 G HA2 -0.302 3.659 3.960 0.002 0.000 0.257 767 G HA3 -0.302 3.659 3.960 0.002 0.000 0.257 767 G C 1.035 175.841 174.900 -0.157 0.000 0.998 767 G CA 0.775 45.786 45.100 -0.149 0.000 0.620 767 G HN 1.274 nan 8.290 nan 0.000 0.529 768 V N 1.365 121.198 119.914 -0.136 0.000 2.255 768 V HA -0.185 3.937 4.120 0.002 0.000 0.247 768 V C 2.895 178.779 176.094 -0.349 0.000 1.051 768 V CA 2.445 64.592 62.300 -0.255 0.000 1.018 768 V CB -0.641 30.938 31.823 -0.406 0.000 0.641 768 V HN 0.475 nan 8.190 nan 0.000 0.445 769 L N 0.518 121.559 121.223 -0.305 0.000 2.191 769 L HA -0.077 4.264 4.340 0.002 0.000 0.212 769 L C 2.587 179.405 176.870 -0.086 0.000 1.103 769 L CA 1.374 56.127 54.840 -0.145 0.000 0.769 769 L CB -1.067 41.090 42.059 0.163 0.000 0.908 769 L HN 0.492 nan 8.230 nan 0.000 0.438 770 G N -0.269 108.391 108.800 -0.233 0.000 2.418 770 G HA2 -0.300 3.661 3.960 0.002 0.000 0.217 770 G HA3 -0.300 3.661 3.960 0.002 0.000 0.217 770 G C 1.622 176.519 174.900 -0.005 0.000 1.158 770 G CA 0.763 45.732 45.100 -0.218 0.000 0.771 770 G HN 0.246 nan 8.290 nan 0.000 0.545 771 M N -0.065 119.511 119.600 -0.040 0.000 2.064 771 M HA 0.080 4.561 4.480 0.002 0.000 0.260 771 M C 2.548 178.814 176.300 -0.056 0.000 1.073 771 M CA 1.222 56.513 55.300 -0.015 0.000 1.124 771 M CB -0.262 32.309 32.600 -0.048 0.000 1.326 771 M HN 0.182 nan 8.290 nan 0.000 0.410 772 L N 0.146 121.269 121.223 -0.166 0.000 2.021 772 L HA -0.278 4.063 4.340 0.002 0.000 0.215 772 L C 2.452 179.303 176.870 -0.032 0.000 1.074 772 L CA 1.643 56.327 54.840 -0.260 0.000 0.760 772 L CB -0.892 40.757 42.059 -0.684 0.000 0.889 772 L HN 0.368 nan 8.230 nan 0.000 0.433 773 E N 0.187 120.428 120.200 0.069 0.000 2.110 773 E HA -0.258 4.093 4.350 0.002 0.000 0.193 773 E C 1.672 178.322 176.600 0.083 0.000 0.988 773 E CA 1.498 57.972 56.400 0.123 0.000 0.804 773 E CB -0.151 29.585 29.700 0.061 0.000 0.745 773 E HN 0.424 nan 8.360 nan 0.000 0.458 774 D N -1.390 119.059 120.400 0.081 0.000 2.219 774 D HA -0.089 4.552 4.640 0.002 0.000 0.205 774 D C 1.746 178.080 176.300 0.057 0.000 0.970 774 D CA 0.953 55.008 54.000 0.091 0.000 0.851 774 D CB 0.110 40.976 40.800 0.110 0.000 0.943 774 D HN 0.198 nan 8.370 nan 0.000 0.488 775 M N -0.741 118.880 119.600 0.035 0.000 2.287 775 M HA 0.031 4.512 4.480 0.002 0.000 0.266 775 M C 2.342 178.661 176.300 0.032 0.000 1.079 775 M CA 0.561 55.874 55.300 0.022 0.000 1.146 775 M CB -0.056 32.541 32.600 -0.005 0.000 1.374 775 M HN -0.043 nan 8.290 nan 0.000 0.435 776 R N 0.857 121.390 120.500 0.055 0.000 2.073 776 R HA -0.222 4.120 4.340 0.002 0.000 0.234 776 R C 1.765 178.077 176.300 0.019 0.000 1.134 776 R CA 2.335 58.466 56.100 0.051 0.000 0.952 776 R CB -0.301 30.049 30.300 0.084 0.000 0.850 776 R HN 0.250 nan 8.270 nan 0.000 0.433 777 D N -0.030 120.386 120.400 0.026 0.000 2.144 777 D HA -0.196 4.445 4.640 0.002 0.000 0.199 777 D C 1.774 178.086 176.300 0.020 0.000 0.984 777 D CA 1.453 55.464 54.000 0.019 0.000 0.834 777 D CB 0.008 40.832 40.800 0.041 0.000 0.955 777 D HN 0.371 nan 8.370 nan 0.000 0.465 778 E N -0.055 120.160 120.200 0.025 0.000 2.015 778 E HA -0.172 4.179 4.350 0.002 0.000 0.191 778 E C 2.131 178.740 176.600 0.015 0.000 0.991 778 E CA 1.222 57.635 56.400 0.021 0.000 0.802 778 E CB -0.223 29.491 29.700 0.022 0.000 0.759 778 E HN 0.034 nan 8.360 nan 0.000 0.447 779 R N 0.074 120.582 120.500 0.014 0.000 2.081 779 R HA -0.086 4.255 4.340 0.002 0.000 0.235 779 R C 2.337 178.639 176.300 0.004 0.000 1.131 779 R CA 1.410 57.517 56.100 0.011 0.000 0.960 779 R CB -0.985 29.322 30.300 0.011 0.000 0.856 779 R HN 0.388 nan 8.270 nan 0.000 0.436 780 L N -0.017 121.204 121.223 -0.004 0.000 2.083 780 L HA -0.080 4.261 4.340 0.002 0.000 0.209 780 L C 2.178 179.044 176.870 -0.007 0.000 1.083 780 L CA 2.236 57.066 54.840 -0.016 0.000 0.752 780 L CB -0.910 41.132 42.059 -0.028 0.000 0.899 780 L HN 0.265 nan 8.230 nan 0.000 0.433 781 S N -0.976 114.726 115.700 0.002 0.000 2.387 781 S HA -0.209 4.263 4.470 0.002 0.000 0.226 781 S C 2.160 176.770 174.600 0.017 0.000 1.026 781 S CA 1.435 59.641 58.200 0.009 0.000 0.972 781 S CB -0.260 62.946 63.200 0.011 0.000 0.814 781 S HN 0.550 nan 8.310 nan 0.000 0.477 782 K N 0.575 120.986 120.400 0.018 0.000 2.057 782 K HA 0.037 4.359 4.320 0.002 0.000 0.206 782 K C 1.990 178.611 176.600 0.034 0.000 1.050 782 K CA 1.421 57.724 56.287 0.026 0.000 0.935 782 K CB -0.276 32.238 32.500 0.024 0.000 0.715 782 K HN 0.417 nan 8.250 nan 0.000 0.439 783 I N 1.053 121.638 120.570 0.025 0.000 2.335 783 I HA -0.290 3.882 4.170 0.002 0.000 0.251 783 I C 2.155 178.303 176.117 0.053 0.000 1.129 783 I CA 1.142 62.460 61.300 0.029 0.000 1.402 783 I CB -0.203 37.796 38.000 -0.001 0.000 1.069 783 I HN 0.210 nan 8.210 nan 0.000 0.424 784 I N -0.011 120.584 120.570 0.041 0.000 2.353 784 I HA -0.224 3.947 4.170 0.002 0.000 0.248 784 I C 2.541 178.723 176.117 0.108 0.000 1.119 784 I CA 1.058 62.398 61.300 0.068 0.000 1.417 784 I CB -0.148 37.871 38.000 0.031 0.000 1.078 784 I HN 0.118 nan 8.210 nan 0.000 0.421 785 S N 0.639 116.385 115.700 0.076 0.000 2.382 785 S HA -0.132 4.339 4.470 0.002 0.000 0.228 785 S C 2.006 176.663 174.600 0.094 0.000 1.027 785 S CA 1.283 59.527 58.200 0.072 0.000 0.991 785 S CB -0.177 63.053 63.200 0.049 0.000 0.823 785 S HN 0.370 nan 8.310 nan 0.000 0.469 786 M N -0.157 119.508 119.600 0.108 0.000 2.117 786 M HA -0.065 4.417 4.480 0.002 0.000 0.262 786 M C 1.985 178.392 176.300 0.178 0.000 1.065 786 M CA 1.435 56.819 55.300 0.140 0.000 1.114 786 M CB -0.672 31.999 32.600 0.119 0.000 1.361 786 M HN 0.269 nan 8.290 nan 0.000 0.408 787 F N 1.880 121.831 119.950 0.001 0.000 2.146 787 F HA -0.184 4.344 4.527 0.003 0.000 0.298 787 F C 2.432 178.257 175.800 0.042 0.000 1.096 787 F CA 1.687 59.668 58.000 -0.031 0.000 1.275 787 F CB -0.341 38.622 39.000 -0.061 0.000 1.008 787 F HN 0.167 nan 8.300 nan 0.000 0.480 788 Q N -0.226 119.632 119.800 0.097 0.000 2.226 788 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 788 Q C 2.402 178.390 176.000 -0.019 0.000 0.975 788 Q CA 1.230 57.045 55.803 0.021 0.000 0.866 788 Q CB -0.447 28.328 28.738 0.063 0.000 0.915 788 Q HN 0.506 nan 8.270 nan 0.000 0.440 789 A N 0.721 123.560 122.820 0.031 0.000 1.855 789 A HA -0.207 4.114 4.320 0.002 0.000 0.215 789 A C 1.512 179.092 177.584 -0.006 0.000 1.191 789 A CA 1.584 53.639 52.037 0.029 0.000 0.613 789 A CB -0.724 18.320 19.000 0.074 0.000 0.829 789 A HN 0.325 nan 8.150 nan 0.000 0.442 790 H N -0.393 118.575 119.070 -0.169 0.000 2.457 790 H HA -0.008 4.549 4.556 0.002 0.000 0.297 790 H C 1.761 176.964 175.328 -0.207 0.000 1.092 790 H CA 1.588 57.519 56.048 -0.195 0.000 1.309 790 H CB -0.241 29.355 29.762 -0.277 0.000 1.382 790 H HN 0.497 nan 8.280 nan 0.000 0.535 791 I N -0.437 120.028 120.570 -0.175 0.000 2.333 791 I HA -0.155 4.016 4.170 0.002 0.000 0.246 791 I C 2.340 178.430 176.117 -0.044 0.000 1.106 791 I CA 0.728 61.927 61.300 -0.169 0.000 1.411 791 I CB -0.092 37.773 38.000 -0.226 0.000 1.082 791 I HN 0.087 nan 8.210 nan 0.000 0.420 792 R N 0.666 121.141 120.500 -0.041 0.000 2.096 792 R HA -0.127 4.214 4.340 0.002 0.000 0.235 792 R C 2.362 178.660 176.300 -0.004 0.000 1.127 792 R CA 1.518 57.609 56.100 -0.014 0.000 0.968 792 R CB -0.631 29.658 30.300 -0.019 0.000 0.861 792 R HN 0.454 nan 8.270 nan 0.000 0.440 793 G N -0.225 108.558 108.800 -0.028 0.000 2.433 793 G HA2 -0.338 3.623 3.960 0.002 0.000 0.216 793 G HA3 -0.338 3.623 3.960 0.002 0.000 0.216 793 G C 1.258 176.172 174.900 0.024 0.000 1.186 793 G CA 0.780 45.853 45.100 -0.045 0.000 0.779 793 G HN 0.405 nan 8.290 nan 0.000 0.543 794 Y N 1.088 121.338 120.300 -0.084 0.000 2.114 794 Y HA -0.181 4.371 4.550 0.002 0.000 0.282 794 Y C 2.692 178.572 175.900 -0.034 0.000 1.165 794 Y CA 1.579 59.646 58.100 -0.055 0.000 1.148 794 Y CB -0.166 38.262 38.460 -0.053 0.000 0.972 794 Y HN 0.122 nan 8.280 nan 0.000 0.504 795 L N -0.775 120.629 121.223 0.300 0.000 2.012 795 L HA -0.277 4.064 4.340 0.002 0.000 0.210 795 L C 2.549 179.477 176.870 0.096 0.000 1.073 795 L CA 1.678 56.639 54.840 0.202 0.000 0.748 795 L CB -0.589 41.535 42.059 0.109 0.000 0.891 795 L HN 0.383 nan 8.230 nan 0.000 0.431 796 M N -0.079 119.552 119.600 0.053 0.000 2.132 796 M HA -0.166 4.315 4.480 0.002 0.000 0.263 796 M C 2.279 178.591 176.300 0.020 0.000 1.065 796 M CA 1.717 57.033 55.300 0.027 0.000 1.122 796 M CB -0.451 32.147 32.600 -0.003 0.000 1.365 796 M HN -0.069 nan 8.290 nan 0.000 0.411 797 R N -0.476 120.005 120.500 -0.031 0.000 2.193 797 R HA -0.138 4.204 4.340 0.002 0.000 0.229 797 R C 2.174 178.469 176.300 -0.010 0.000 1.110 797 R CA 1.366 57.430 56.100 -0.060 0.000 0.988 797 R CB -0.133 30.088 30.300 -0.131 0.000 0.871 797 R HN 0.472 nan 8.270 nan 0.000 0.458 798 K N -0.565 119.811 120.400 -0.040 0.000 2.166 798 K HA 0.052 4.373 4.320 0.002 0.000 0.201 798 K C 1.763 178.381 176.600 0.030 0.000 1.052 798 K CA 0.884 57.145 56.287 -0.044 0.000 0.969 798 K CB 0.098 32.556 32.500 -0.069 0.000 0.761 798 K HN 0.106 nan 8.250 nan 0.000 0.459 799 A N 0.405 123.259 122.820 0.057 0.000 2.067 799 A HA -0.150 4.171 4.320 0.002 0.000 0.219 799 A C 1.866 179.504 177.584 0.090 0.000 1.158 799 A CA 0.896 52.969 52.037 0.061 0.000 0.661 799 A CB -0.711 18.325 19.000 0.061 0.000 0.801 799 A HN 0.530 nan 8.150 nan 0.000 0.452 800 Y N 0.887 121.167 120.300 -0.033 0.000 2.049 800 Y HA -0.272 4.279 4.550 0.002 0.000 0.277 800 Y C 2.343 178.225 175.900 -0.031 0.000 1.143 800 Y CA 2.360 60.441 58.100 -0.033 0.000 1.115 800 Y CB -0.456 37.979 38.460 -0.042 0.000 0.975 800 Y HN 0.326 nan 8.280 nan 0.000 0.487 801 K N 0.507 120.885 120.400 -0.036 0.000 2.160 801 K HA -0.290 4.032 4.320 0.002 0.000 0.206 801 K C 2.312 178.831 176.600 -0.136 0.000 1.047 801 K CA 2.006 58.208 56.287 -0.140 0.000 0.930 801 K CB -0.274 32.195 32.500 -0.050 0.000 0.720 801 K HN 0.357 nan 8.250 nan 0.000 0.450 802 K N 0.675 121.028 120.400 -0.077 0.000 2.062 802 K HA -0.084 4.237 4.320 0.002 0.000 0.205 802 K C 2.120 178.668 176.600 -0.087 0.000 1.051 802 K CA 0.899 57.149 56.287 -0.062 0.000 0.941 802 K CB -0.023 32.462 32.500 -0.026 0.000 0.719 802 K HN 0.167 nan 8.250 nan 0.000 0.440 803 L N 0.929 122.088 121.223 -0.106 0.000 2.131 803 L HA -0.211 4.130 4.340 0.002 0.000 0.210 803 L C 2.517 179.279 176.870 -0.179 0.000 1.092 803 L CA 1.287 56.059 54.840 -0.114 0.000 0.759 803 L CB -0.252 41.763 42.059 -0.073 0.000 0.903 803 L HN 0.341 nan 8.230 nan 0.000 0.435 804 Q N -0.512 119.115 119.800 -0.288 0.000 2.049 804 Q HA -0.174 4.167 4.340 0.002 0.000 0.198 804 Q C 1.769 177.678 176.000 -0.153 0.000 0.971 804 Q CA 1.259 56.900 55.803 -0.270 0.000 0.833 804 Q CB -0.069 28.448 28.738 -0.368 0.000 0.896 804 Q HN 0.461 nan 8.270 nan 0.000 0.434 805 D N 1.108 121.432 120.400 -0.128 0.000 2.092 805 D HA -0.177 4.464 4.640 0.002 0.000 0.193 805 D C 1.984 178.245 176.300 -0.065 0.000 0.994 805 D CA 1.251 55.202 54.000 -0.082 0.000 0.828 805 D CB -0.174 40.586 40.800 -0.066 0.000 0.963 805 D HN 0.315 nan 8.370 nan 0.000 0.450 806 Q N 0.200 119.962 119.800 -0.063 0.000 2.234 806 Q HA -0.150 4.191 4.340 0.002 0.000 0.206 806 Q C 2.245 178.218 176.000 -0.045 0.000 0.980 806 Q CA 0.706 56.481 55.803 -0.047 0.000 0.869 806 Q CB -0.048 28.666 28.738 -0.040 0.000 0.912 806 Q HN 0.274 nan 8.270 nan 0.000 0.436 807 R N 0.745 121.211 120.500 -0.057 0.000 2.062 807 R HA -0.140 4.202 4.340 0.002 0.000 0.231 807 R C 2.172 178.447 176.300 -0.041 0.000 1.136 807 R CA 1.056 57.127 56.100 -0.049 0.000 0.948 807 R CB -0.061 30.202 30.300 -0.062 0.000 0.845 807 R HN 0.143 nan 8.270 nan 0.000 0.430 808 I N 0.967 121.509 120.570 -0.047 0.000 2.151 808 I HA -0.211 3.960 4.170 0.002 0.000 0.243 808 I C 2.497 178.597 176.117 -0.029 0.000 1.080 808 I CA 1.871 63.149 61.300 -0.037 0.000 1.339 808 I CB -1.854 36.123 38.000 -0.038 0.000 1.039 808 I HN 0.431 nan 8.210 nan 0.000 0.409 809 G N 0.852 109.634 108.800 -0.031 0.000 2.459 809 G HA2 -0.270 3.691 3.960 0.002 0.000 0.217 809 G HA3 -0.270 3.691 3.960 0.002 0.000 0.217 809 G C 1.723 176.610 174.900 -0.022 0.000 1.183 809 G CA 0.799 45.884 45.100 -0.025 0.000 0.776 809 G HN 0.368 nan 8.290 nan 0.000 0.552 810 L N 0.899 122.108 121.223 -0.022 0.000 2.362 810 L HA 0.086 4.427 4.340 0.002 0.000 0.219 810 L C 2.732 179.593 176.870 -0.015 0.000 1.134 810 L CA 2.084 56.913 54.840 -0.018 0.000 0.807 810 L CB -0.556 41.492 42.059 -0.017 0.000 0.927 810 L HN 0.170 nan 8.230 nan 0.000 0.447 811 T N -0.546 113.998 114.554 -0.018 0.000 2.732 811 T HA -0.084 4.268 4.350 0.002 0.000 0.261 811 T C 1.896 176.589 174.700 -0.012 0.000 1.040 811 T CA 1.524 63.615 62.100 -0.015 0.000 1.145 811 T CB -0.230 68.627 68.868 -0.018 0.000 0.866 811 T HN 0.278 nan 8.240 nan 0.000 0.427 812 L N 0.541 121.756 121.223 -0.013 0.000 2.079 812 L HA -0.096 4.245 4.340 0.002 0.000 0.210 812 L C 2.401 179.266 176.870 -0.008 0.000 1.081 812 L CA 1.239 56.073 54.840 -0.010 0.000 0.752 812 L CB -0.682 41.371 42.059 -0.010 0.000 0.896 812 L HN 0.308 nan 8.230 nan 0.000 0.433 813 I N -0.704 119.859 120.570 -0.011 0.000 2.163 813 I HA -0.282 3.890 4.170 0.002 0.000 0.240 813 I C 2.581 178.696 176.117 -0.004 0.000 1.081 813 I CA 1.231 62.523 61.300 -0.013 0.000 1.353 813 I CB -0.430 37.559 38.000 -0.018 0.000 1.054 813 I HN 0.288 nan 8.210 nan 0.000 0.407 814 Q N 0.665 120.463 119.800 -0.002 0.000 2.181 814 Q HA -0.241 4.100 4.340 0.002 0.000 0.205 814 Q C 2.239 178.247 176.000 0.013 0.000 0.980 814 Q CA 1.739 57.545 55.803 0.006 0.000 0.862 814 Q CB -0.251 28.489 28.738 0.002 0.000 0.905 814 Q HN 0.590 nan 8.270 nan 0.000 0.429 815 R N -0.396 120.107 120.500 0.006 0.000 2.189 815 R HA 0.074 4.415 4.340 0.002 0.000 0.203 815 R C 1.545 177.855 176.300 0.016 0.000 1.012 815 R CA 0.697 56.800 56.100 0.005 0.000 1.015 815 R CB -0.015 30.281 30.300 -0.007 0.000 0.938 815 R HN 0.095 nan 8.270 nan 0.000 0.472 816 N N 1.043 119.755 118.700 0.020 0.000 2.171 816 N HA -0.069 4.673 4.740 0.002 0.000 0.184 816 N C 1.833 177.393 175.510 0.084 0.000 1.021 816 N CA 1.300 54.372 53.050 0.036 0.000 0.854 816 N CB 0.034 38.534 38.487 0.021 0.000 0.994 816 N HN 0.049 nan 8.380 nan 0.000 0.426 817 V N 1.557 121.511 119.914 0.067 0.000 2.490 817 V HA -0.160 3.961 4.120 0.002 0.000 0.250 817 V C 2.361 178.590 176.094 0.226 0.000 1.061 817 V CA 1.411 63.783 62.300 0.120 0.000 1.064 817 V CB -0.345 31.511 31.823 0.054 0.000 0.670 817 V HN 0.230 nan 8.190 nan 0.000 0.461 818 R N -0.202 120.371 120.500 0.122 0.000 2.073 818 R HA -0.102 4.239 4.340 0.002 0.000 0.229 818 R C 2.359 178.692 176.300 0.055 0.000 1.120 818 R CA 1.036 57.187 56.100 0.085 0.000 0.967 818 R CB -0.219 30.101 30.300 0.033 0.000 0.862 818 R HN 0.212 nan 8.270 nan 0.000 0.436 819 K N -0.371 120.052 120.400 0.039 0.000 2.283 819 K HA -0.159 4.162 4.320 0.002 0.000 0.202 819 K C 1.357 177.940 176.600 -0.028 0.000 1.048 819 K CA 0.889 57.155 56.287 -0.036 0.000 0.948 819 K CB -0.184 32.282 32.500 -0.058 0.000 0.742 819 K HN 0.251 nan 8.250 nan 0.000 0.458 820 W N 0.186 121.427 121.300 -0.098 0.000 2.441 820 W HA 0.008 4.668 4.660 0.001 0.000 0.302 820 W C 0.988 177.489 176.519 -0.030 0.000 1.191 820 W CA 0.867 58.173 57.345 -0.064 0.000 1.327 820 W CB -0.140 29.329 29.460 0.015 0.000 1.128 820 W HN -0.067 nan 8.180 nan 0.000 0.522 821 L N 0.438 121.671 121.223 0.016 0.000 2.351 821 L HA -0.237 4.104 4.340 0.002 0.000 0.220 821 L C 1.890 178.611 176.870 -0.247 0.000 1.127 821 L CA 0.838 55.558 54.840 -0.201 0.000 0.786 821 L CB -0.959 41.111 42.059 0.018 0.000 0.914 821 L HN -0.015 nan 8.230 nan 0.000 0.443 822 V N -0.364 119.426 119.914 -0.206 0.000 2.398 822 V HA -0.146 3.976 4.120 0.002 0.000 0.236 822 V C 2.168 178.146 176.094 -0.194 0.000 1.054 822 V CA 0.890 63.079 62.300 -0.185 0.000 1.060 822 V CB -0.208 31.502 31.823 -0.188 0.000 0.707 822 V HN 0.239 nan 8.190 nan 0.000 0.480 823 L N 1.095 122.149 121.223 -0.282 0.000 2.263 823 L HA -0.203 4.139 4.340 0.002 0.000 0.216 823 L C 2.539 179.409 176.870 -0.000 0.000 1.111 823 L CA 1.667 56.350 54.840 -0.262 0.000 0.773 823 L CB -0.829 40.664 42.059 -0.944 0.000 0.906 823 L HN 0.492 nan 8.230 nan 0.000 0.439 824 R N -0.251 120.127 120.500 -0.204 0.000 2.377 824 R HA -0.077 4.264 4.340 0.002 0.000 0.207 824 R C 0.960 177.265 176.300 0.009 0.000 1.075 824 R CA 1.161 57.184 56.100 -0.128 0.000 1.035 824 R CB -0.401 29.456 30.300 -0.738 0.000 0.857 824 R HN 0.436 nan 8.270 nan 0.000 0.475 825 N N -1.008 117.734 118.700 0.070 0.000 2.211 825 N HA -0.040 4.701 4.740 0.002 0.000 0.216 825 N C -0.919 174.720 175.510 0.216 0.000 1.240 825 N CA -0.147 52.961 53.050 0.095 0.000 0.895 825 N CB 0.109 38.615 38.487 0.032 0.000 1.102 825 N HN 0.188 nan 8.380 nan 0.000 0.498 826 W N 4.609 125.962 121.300 0.089 0.000 2.666 826 W HA 0.149 4.811 4.660 0.002 0.000 0.365 826 W C 1.032 177.682 176.519 0.219 0.000 1.224 826 W CA -0.288 57.151 57.345 0.157 0.000 1.515 826 W CB 0.231 29.793 29.460 0.170 0.000 1.562 826 W HN -0.023 nan 8.180 nan 0.000 0.455 827 E N 2.979 123.141 120.200 -0.063 0.000 2.240 827 E HA -0.350 4.002 4.350 0.002 0.000 0.236 827 E C 1.617 178.025 176.600 -0.319 0.000 1.085 827 E CA 3.043 59.286 56.400 -0.262 0.000 0.979 827 E CB -1.044 28.379 29.700 -0.462 0.000 0.845 827 E HN 0.749 nan 8.360 nan 0.000 0.483 828 W N 0.121 121.064 121.300 -0.595 0.000 2.290 828 W HA -0.226 4.436 4.660 0.002 0.000 0.311 828 W C 2.486 178.963 176.519 -0.071 0.000 1.238 828 W CA 1.323 58.349 57.345 -0.532 0.000 1.255 828 W CB -0.910 27.850 29.460 -1.166 0.000 1.145 828 W HN 0.303 nan 8.180 nan 0.000 0.506 829 W N 1.681 123.075 121.300 0.156 0.000 2.338 829 W HA -0.261 4.400 4.660 0.002 0.000 0.304 829 W C 1.989 178.641 176.519 0.222 0.000 1.212 829 W CA 1.814 59.396 57.345 0.394 0.000 1.264 829 W CB -0.271 29.465 29.460 0.461 0.000 1.142 829 W HN -0.053 nan 8.180 nan 0.000 0.512 830 R N 0.150 120.696 120.500 0.076 0.000 2.070 830 R HA -0.180 4.162 4.340 0.002 0.000 0.233 830 R C 2.399 178.599 176.300 -0.166 0.000 1.137 830 R CA 1.723 57.751 56.100 -0.120 0.000 0.945 830 R CB -1.151 29.111 30.300 -0.063 0.000 0.845 830 R HN 0.272 nan 8.270 nan 0.000 0.430 831 L N 0.418 121.578 121.223 -0.105 0.000 1.951 831 L HA -0.250 4.091 4.340 0.002 0.000 0.222 831 L C 2.589 179.438 176.870 -0.035 0.000 1.078 831 L CA 1.739 56.527 54.840 -0.087 0.000 0.778 831 L CB -0.783 41.218 42.059 -0.097 0.000 0.893 831 L HN 0.161 nan 8.230 nan 0.000 0.436 832 F N 1.160 121.075 119.950 -0.059 0.000 2.271 832 F HA -0.257 4.272 4.527 0.002 0.000 0.302 832 F C 1.899 177.611 175.800 -0.148 0.000 1.063 832 F CA 1.849 59.819 58.000 -0.051 0.000 1.362 832 F CB -0.877 38.143 39.000 0.033 0.000 1.060 832 F HN 0.165 nan 8.300 nan 0.000 0.521 833 N N -0.144 118.143 118.700 -0.689 0.000 2.409 833 N HA -0.092 4.650 4.740 0.002 0.000 0.179 833 N C 1.332 176.587 175.510 -0.425 0.000 1.032 833 N CA 0.947 53.527 53.050 -0.783 0.000 0.898 833 N CB 0.032 38.092 38.487 -0.711 0.000 0.971 833 N HN 0.463 nan 8.380 nan 0.000 0.441 834 K N -0.089 120.146 120.400 -0.274 0.000 2.306 834 K HA 0.155 4.477 4.320 0.002 0.000 0.200 834 K C 1.711 178.239 176.600 -0.120 0.000 1.083 834 K CA 0.234 56.419 56.287 -0.170 0.000 0.959 834 K CB 0.029 32.451 32.500 -0.130 0.000 0.994 834 K HN -0.119 nan 8.250 nan 0.000 0.492 835 V N 2.482 122.344 119.914 -0.086 0.000 2.660 835 V HA -0.229 3.892 4.120 0.002 0.000 0.257 835 V C 1.974 178.063 176.094 -0.008 0.000 1.088 835 V CA 1.791 64.080 62.300 -0.018 0.000 1.106 835 V CB -0.452 31.404 31.823 0.055 0.000 0.686 835 V HN 0.293 nan 8.190 nan 0.000 0.481 836 K N -1.045 119.323 120.400 -0.052 0.000 2.335 836 K HA 0.081 4.402 4.320 0.002 0.000 0.195 836 K C -0.605 175.964 176.600 -0.052 0.000 1.058 836 K CA 0.111 56.382 56.287 -0.026 0.000 0.988 836 K CB -0.311 32.195 32.500 0.010 0.000 0.880 836 K HN 0.392 nan 8.250 nan 0.000 0.513 837 P HA -0.112 nan 4.420 nan 0.000 0.223 837 P C -0.018 177.255 177.300 -0.046 0.000 1.144 837 P CA 1.052 64.108 63.100 -0.073 0.000 0.783 837 P CB 0.137 31.781 31.700 -0.093 0.000 0.771 838 L N -1.153 120.046 121.223 -0.040 0.000 3.029 838 L HA 0.235 4.576 4.340 0.002 0.000 0.231 838 L C 0.421 177.284 176.870 -0.011 0.000 1.327 838 L CA -0.308 54.517 54.840 -0.025 0.000 1.166 838 L CB -0.352 41.690 42.059 -0.028 0.000 1.532 838 L HN -0.043 nan 8.230 nan 0.000 0.473 839 L N 0.000 121.220 121.223 -0.005 0.000 2.949 839 L HA 0.000 4.341 4.340 0.002 0.000 0.249 839 L CA 0.000 54.844 54.840 0.007 0.000 0.813 839 L CB 0.000 42.069 42.059 0.017 0.000 0.961 839 L HN 0.000 nan 8.230 nan 0.000 0.502