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 2igk_1_F DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.229 176.300 -0.118 0.000 1.140 43 M CA 0.000 55.213 55.300 -0.145 0.000 0.988 43 M CB 0.000 32.380 32.600 -0.366 0.000 1.302 44 D N 1.194 121.578 120.400 -0.027 0.000 2.382 44 D HA 0.257 4.897 4.640 0.000 0.000 0.240 44 D C 0.897 177.118 176.300 -0.132 0.000 1.146 44 D CA 0.203 54.137 54.000 -0.110 0.000 0.897 44 D CB 0.855 41.546 40.800 -0.182 0.000 1.197 44 D HN 0.680 nan 8.370 nan 0.000 0.432 45 I N -0.784 119.687 120.570 -0.165 0.000 4.081 45 I HA 0.320 4.490 4.170 0.000 0.000 0.333 45 I C 0.185 176.257 176.117 -0.075 0.000 1.413 45 I CA -0.601 60.659 61.300 -0.066 0.000 1.110 45 I CB 0.122 38.100 38.000 -0.038 0.000 1.082 45 I HN -0.018 nan 8.210 nan 0.000 0.402 46 K N 1.399 121.594 120.400 -0.342 0.000 2.507 46 K HA 0.569 4.889 4.320 0.000 0.000 0.252 46 K C -1.848 174.391 176.600 -0.602 0.000 0.943 46 K CA -0.317 55.796 56.287 -0.290 0.000 0.808 46 K CB 1.417 33.822 32.500 -0.159 0.000 1.142 46 K HN 0.081 nan 8.250 nan 0.000 0.426 47 Y N 1.326 121.609 120.300 -0.028 0.000 2.605 47 Y HA 0.265 4.815 4.550 0.000 0.000 0.343 47 Y C 0.573 176.439 175.900 -0.057 0.000 1.036 47 Y CA -0.802 57.271 58.100 -0.046 0.000 1.065 47 Y CB 1.894 40.324 38.460 -0.050 0.000 1.288 47 Y HN 0.625 nan 8.280 nan 0.000 0.481 48 D N 0.175 120.654 120.400 0.132 0.000 2.103 48 D HA 0.011 4.651 4.640 0.000 0.000 0.199 48 D C -0.262 176.029 176.300 -0.015 0.000 0.978 48 D CA 1.507 55.566 54.000 0.097 0.000 0.829 48 D CB 0.237 41.163 40.800 0.210 0.000 0.981 48 D HN 0.115 nan 8.370 nan 0.000 0.464 49 V N 0.933 120.832 119.914 -0.025 0.000 2.709 49 V HA 0.377 4.497 4.120 0.000 0.000 0.308 49 V C -0.361 175.635 176.094 -0.163 0.000 1.062 49 V CA -1.019 61.176 62.300 -0.176 0.000 0.901 49 V CB 2.548 34.248 31.823 -0.205 0.000 1.003 49 V HN -0.004 nan 8.190 nan 0.000 0.425 50 V N 2.841 122.617 119.914 -0.229 0.000 2.555 50 V HA 0.749 4.869 4.120 0.000 0.000 0.302 50 V C -0.646 175.389 176.094 -0.098 0.000 1.038 50 V CA -0.621 61.598 62.300 -0.134 0.000 0.887 50 V CB 1.734 33.552 31.823 -0.008 0.000 0.991 50 V HN 0.682 nan 8.190 nan 0.000 0.434 51 I N 4.052 124.586 120.570 -0.060 0.000 2.436 51 I HA 0.466 4.636 4.170 0.000 0.000 0.289 51 I C -0.597 175.539 176.117 0.033 0.000 1.010 51 I CA -0.927 60.329 61.300 -0.074 0.000 1.098 51 I CB 2.269 40.208 38.000 -0.102 0.000 1.266 51 I HN 0.435 nan 8.210 nan 0.000 0.434 52 V N 5.584 125.504 119.914 0.009 0.000 2.348 52 V HA 0.768 4.888 4.120 0.000 0.000 0.270 52 V C 0.484 176.583 176.094 0.009 0.000 1.037 52 V CA -0.206 62.122 62.300 0.047 0.000 0.872 52 V CB 0.504 32.331 31.823 0.008 0.000 1.002 52 V HN 1.062 nan 8.190 nan 0.000 0.464 53 G N 3.929 112.750 108.800 0.035 0.000 3.069 53 G HA2 -0.023 3.937 3.960 0.000 0.000 0.686 53 G HA3 -0.023 3.937 3.960 0.000 0.000 0.686 53 G C -0.058 174.857 174.900 0.024 0.000 1.161 53 G CA -0.260 44.852 45.100 0.019 0.000 0.804 53 G HN 1.251 nan 8.290 nan 0.000 0.608 54 S N 1.124 116.842 115.700 0.030 0.000 2.588 54 S HA 0.606 5.076 4.470 0.000 0.000 0.245 54 S C 1.314 175.926 174.600 0.019 0.000 1.021 54 S CA 0.703 58.929 58.200 0.043 0.000 1.006 54 S CB 0.608 63.849 63.200 0.067 0.000 0.830 54 S HN 1.900 nan 8.310 nan 0.000 0.468 55 G N 2.723 111.522 108.800 -0.001 0.000 2.570 55 G HA2 0.375 4.335 3.960 0.000 0.000 0.276 55 G HA3 0.375 4.335 3.960 0.000 0.000 0.276 55 G C -1.123 173.753 174.900 -0.040 0.000 1.346 55 G CA -1.219 43.860 45.100 -0.035 0.000 1.034 55 G HN 0.262 nan 8.290 nan 0.000 0.512 56 P HA -0.056 nan 4.420 nan 0.000 0.222 56 P C 1.623 178.870 177.300 -0.088 0.000 1.147 56 P CA 0.736 63.787 63.100 -0.081 0.000 0.790 56 P CB 0.206 31.878 31.700 -0.048 0.000 0.780 57 I N 0.111 120.661 120.570 -0.033 0.000 2.400 57 I HA -0.004 4.166 4.170 0.000 0.000 0.248 57 I C 2.719 178.892 176.117 0.093 0.000 1.109 57 I CA 1.342 62.653 61.300 0.019 0.000 1.425 57 I CB -2.242 35.797 38.000 0.063 0.000 1.094 57 I HN -0.010 nan 8.210 nan 0.000 0.425 58 G N 0.375 109.207 108.800 0.053 0.000 2.469 58 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 58 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 58 G C 1.753 176.655 174.900 0.002 0.000 1.150 58 G CA 1.123 46.244 45.100 0.036 0.000 0.763 58 G HN 0.414 nan 8.290 nan 0.000 0.561 59 C N 0.592 119.871 119.300 -0.036 0.000 2.432 59 C HA 0.045 4.505 4.460 0.000 0.000 0.282 59 C C 3.166 178.034 174.990 -0.204 0.000 1.388 59 C CA 1.326 60.282 59.018 -0.103 0.000 1.777 59 C CB -0.992 26.734 27.740 -0.023 0.000 1.882 59 C HN 0.453 nan 8.230 nan 0.000 0.520 60 T N -0.121 114.338 114.554 -0.158 0.000 2.737 60 T HA -0.144 4.206 4.350 0.000 0.000 0.265 60 T C 1.465 176.015 174.700 -0.250 0.000 1.038 60 T CA 1.523 63.494 62.100 -0.214 0.000 1.144 60 T CB -0.397 68.365 68.868 -0.176 0.000 0.866 60 T HN 0.561 nan 8.240 nan 0.000 0.434 61 Y N 1.439 121.601 120.300 -0.230 0.000 2.224 61 Y HA -0.052 4.498 4.550 0.000 0.000 0.289 61 Y C 2.691 178.381 175.900 -0.351 0.000 1.146 61 Y CA 0.892 58.839 58.100 -0.256 0.000 1.182 61 Y CB -0.529 37.798 38.460 -0.222 0.000 0.983 61 Y HN 0.204 nan 8.280 nan 0.000 0.524 62 A N 0.055 122.689 122.820 -0.309 0.000 1.855 62 A HA -0.191 4.129 4.320 0.000 0.000 0.215 62 A C 2.277 179.298 177.584 -0.938 0.000 1.191 62 A CA 1.582 53.198 52.037 -0.702 0.000 0.613 62 A CB -0.692 17.680 19.000 -1.046 0.000 0.829 62 A HN 0.374 nan 8.150 nan 0.000 0.442 63 R N -0.434 119.574 120.500 -0.820 0.000 2.096 63 R HA -0.173 4.167 4.340 0.000 0.000 0.240 63 R C 2.083 178.184 176.300 -0.331 0.000 1.139 63 R CA 1.823 57.609 56.100 -0.523 0.000 0.952 63 R CB -0.232 29.762 30.300 -0.511 0.000 0.854 63 R HN 0.577 nan 8.270 nan 0.000 0.436 64 E N 0.239 120.269 120.200 -0.284 0.000 2.072 64 E HA -0.162 4.188 4.350 0.000 0.000 0.191 64 E C 2.126 178.653 176.600 -0.122 0.000 0.985 64 E CA 1.114 57.418 56.400 -0.160 0.000 0.801 64 E CB -0.036 29.561 29.700 -0.173 0.000 0.750 64 E HN 0.403 nan 8.360 nan 0.000 0.452 65 L N 0.190 121.310 121.223 -0.171 0.000 2.127 65 L HA -0.059 4.281 4.340 0.000 0.000 0.203 65 L C 2.548 179.452 176.870 0.057 0.000 1.080 65 L CA 0.292 55.070 54.840 -0.103 0.000 0.768 65 L CB -0.333 41.566 42.059 -0.267 0.000 0.924 65 L HN -0.059 nan 8.230 nan 0.000 0.444 66 V N 0.670 120.534 119.914 -0.084 0.000 2.287 66 V HA -0.226 3.894 4.120 0.000 0.000 0.248 66 V C 2.658 178.775 176.094 0.037 0.000 1.053 66 V CA 2.136 64.423 62.300 -0.022 0.000 1.027 66 V CB -1.316 30.419 31.823 -0.146 0.000 0.646 66 V HN 0.572 nan 8.190 nan 0.000 0.447 67 G N -0.466 108.333 108.800 -0.002 0.000 2.450 67 G HA2 -0.165 3.795 3.960 0.000 0.000 0.220 67 G HA3 -0.165 3.795 3.960 0.000 0.000 0.220 67 G C 1.404 176.337 174.900 0.054 0.000 1.130 67 G CA 0.857 45.972 45.100 0.026 0.000 0.760 67 G HN 0.662 nan 8.290 nan 0.000 0.557 68 A N -0.354 122.525 122.820 0.099 0.000 2.302 68 A HA 0.499 4.819 4.320 0.000 0.000 0.219 68 A C 1.891 179.508 177.584 0.056 0.000 1.243 68 A CA 1.103 53.217 52.037 0.129 0.000 0.856 68 A CB -0.513 18.640 19.000 0.255 0.000 0.893 68 A HN 1.561 nan 8.150 nan 0.000 0.491 69 G N -1.932 106.900 108.800 0.053 0.000 2.143 69 G HA2 -0.298 3.662 3.960 0.000 0.000 0.249 69 G HA3 -0.298 3.662 3.960 0.000 0.000 0.249 69 G C -0.026 174.813 174.900 -0.101 0.000 0.981 69 G CA 0.262 45.347 45.100 -0.024 0.000 0.665 69 G HN 0.443 nan 8.290 nan 0.000 0.528 70 Y N 0.418 120.709 120.300 -0.014 0.000 2.397 70 Y HA 0.392 4.942 4.550 0.000 0.000 0.335 70 Y C 1.149 177.029 175.900 -0.033 0.000 1.213 70 Y CA 0.132 58.218 58.100 -0.024 0.000 1.391 70 Y CB 0.737 39.177 38.460 -0.033 0.000 1.293 70 Y HN 0.074 nan 8.280 nan 0.000 0.557 71 K N 3.138 123.597 120.400 0.099 0.000 2.310 71 K HA 0.386 4.706 4.320 0.000 0.000 0.290 71 K C -1.519 175.170 176.600 0.149 0.000 1.077 71 K CA -0.141 56.182 56.287 0.060 0.000 0.922 71 K CB 0.079 32.577 32.500 -0.002 0.000 1.057 71 K HN 0.490 nan 8.250 nan 0.000 0.479 72 V N 3.190 123.176 119.914 0.120 0.000 2.513 72 V HA 0.562 4.682 4.120 0.000 0.000 0.299 72 V C -0.307 175.669 176.094 -0.196 0.000 1.035 72 V CA -0.941 61.380 62.300 0.034 0.000 0.889 72 V CB 1.477 33.364 31.823 0.107 0.000 0.988 72 V HN 0.877 nan 8.190 nan 0.000 0.440 73 A N 5.755 128.301 122.820 -0.457 0.000 2.342 73 A HA 0.925 5.245 4.320 0.000 0.000 0.323 73 A C -0.643 176.554 177.584 -0.645 0.000 1.125 73 A CA -0.602 50.927 52.037 -0.846 0.000 0.785 73 A CB 1.469 19.577 19.000 -1.487 0.000 1.221 73 A HN 0.920 nan 8.150 nan 0.000 0.463 74 M N 2.658 121.799 119.600 -0.766 0.000 2.326 74 M HA 0.730 5.210 4.480 0.000 0.000 0.306 74 M C -2.132 173.837 176.300 -0.552 0.000 1.054 74 M CA -0.416 54.633 55.300 -0.419 0.000 0.922 74 M CB 1.060 33.603 32.600 -0.095 0.000 1.632 74 M HN 0.592 nan 8.290 nan 0.000 0.436 75 F N 2.209 122.147 119.950 -0.021 0.000 2.492 75 F HA 0.589 5.116 4.527 0.000 0.000 0.327 75 F C -0.046 175.752 175.800 -0.004 0.000 1.079 75 F CA -0.467 57.544 58.000 0.018 0.000 0.967 75 F CB 1.417 40.410 39.000 -0.012 0.000 1.169 75 F HN 0.467 nan 8.300 nan 0.000 0.472 76 D N 2.347 122.851 120.400 0.173 0.000 2.879 76 D HA 0.226 4.866 4.640 0.000 0.000 0.236 76 D C 0.409 176.736 176.300 0.045 0.000 1.171 76 D CA -0.332 53.713 54.000 0.075 0.000 0.868 76 D CB 2.547 43.374 40.800 0.045 0.000 1.598 76 D HN 0.650 nan 8.370 nan 0.000 0.497 77 I N 1.864 122.411 120.570 -0.038 0.000 2.676 77 I HA 0.051 4.221 4.170 0.000 0.000 0.259 77 I C 1.103 177.184 176.117 -0.061 0.000 1.194 77 I CA 0.698 61.935 61.300 -0.105 0.000 1.473 77 I CB 0.176 37.993 38.000 -0.304 0.000 1.096 77 I HN 0.322 nan 8.210 nan 0.000 0.443 78 G N 0.017 108.797 108.800 -0.034 0.000 2.537 78 G HA2 0.398 4.358 3.960 0.000 0.000 0.297 78 G HA3 0.398 4.358 3.960 0.000 0.000 0.297 78 G C -0.849 174.072 174.900 0.034 0.000 1.310 78 G CA -0.417 44.689 45.100 0.010 0.000 1.027 78 G HN 0.302 nan 8.290 nan 0.000 0.505 79 E N -1.456 118.770 120.200 0.042 0.000 2.339 79 E HA 0.383 4.733 4.350 0.000 0.000 0.262 79 E C -0.578 176.049 176.600 0.044 0.000 0.934 79 E CA -0.768 55.659 56.400 0.045 0.000 0.802 79 E CB 2.549 32.278 29.700 0.048 0.000 1.275 79 E HN 0.264 nan 8.360 nan 0.000 0.427 80 I N 2.430 123.025 120.570 0.041 0.000 2.533 80 I HA 0.028 4.198 4.170 0.000 0.000 0.284 80 I C -0.091 176.056 176.117 0.050 0.000 1.109 80 I CA 0.611 61.936 61.300 0.042 0.000 1.412 80 I CB 0.203 38.223 38.000 0.033 0.000 1.396 80 I HN 0.544 nan 8.210 nan 0.000 0.543 81 D N 2.814 123.250 120.400 0.060 0.000 3.120 81 D HA 0.011 4.651 4.640 0.000 0.000 0.331 81 D C -0.078 176.279 176.300 0.094 0.000 1.595 81 D CA -0.287 53.755 54.000 0.072 0.000 0.771 81 D CB -0.189 40.652 40.800 0.068 0.000 1.274 81 D HN 0.253 nan 8.370 nan 0.000 0.503 82 S N -0.202 115.556 115.700 0.098 0.000 2.593 82 S HA 0.621 5.091 4.470 0.000 0.000 0.236 82 S C 0.998 175.672 174.600 0.123 0.000 0.991 82 S CA 0.106 58.382 58.200 0.128 0.000 0.963 82 S CB 0.802 64.079 63.200 0.129 0.000 0.865 82 S HN 0.906 nan 8.310 nan 0.000 0.488 83 G N 1.444 110.302 108.800 0.097 0.000 2.627 83 G HA2 -0.206 3.754 3.960 0.000 0.000 0.214 83 G HA3 -0.206 3.754 3.960 0.000 0.000 0.214 83 G C 0.291 175.229 174.900 0.063 0.000 1.331 83 G CA -0.376 44.774 45.100 0.083 0.000 0.891 83 G HN 0.252 nan 8.290 nan 0.000 0.539 84 L N 0.138 121.393 121.223 0.052 0.000 2.191 84 L HA 0.040 4.380 4.340 0.000 0.000 0.212 84 L C 1.491 178.378 176.870 0.028 0.000 1.103 84 L CA 1.323 56.183 54.840 0.033 0.000 0.769 84 L CB -0.404 41.670 42.059 0.026 0.000 0.908 84 L HN 0.359 nan 8.230 nan 0.000 0.438 85 K N 1.427 121.854 120.400 0.045 0.000 2.273 85 K HA 0.353 4.673 4.320 0.000 0.000 0.287 85 K C -0.412 176.213 176.600 0.043 0.000 1.089 85 K CA -0.179 56.131 56.287 0.037 0.000 0.909 85 K CB 0.991 33.526 32.500 0.058 0.000 1.123 85 K HN 0.047 nan 8.250 nan 0.000 0.473 86 I N 2.152 122.731 120.570 0.015 0.000 2.533 86 I HA 0.019 4.189 4.170 0.000 0.000 0.284 86 I C 1.297 177.434 176.117 0.035 0.000 1.109 86 I CA 0.649 61.963 61.300 0.024 0.000 1.412 86 I CB 0.653 38.657 38.000 0.007 0.000 1.396 86 I HN 0.979 nan 8.210 nan 0.000 0.543 87 G N 4.253 113.086 108.800 0.054 0.000 2.143 87 G HA2 -0.199 3.761 3.960 0.000 0.000 0.248 87 G HA3 -0.199 3.761 3.960 0.000 0.000 0.248 87 G C 0.288 175.238 174.900 0.082 0.000 0.991 87 G CA 0.063 45.197 45.100 0.057 0.000 0.689 87 G HN 0.944 nan 8.290 nan 0.000 0.522 88 A N -0.453 122.433 122.820 0.110 0.000 2.246 88 A HA 0.646 4.966 4.320 0.000 0.000 0.291 88 A C 0.536 178.247 177.584 0.212 0.000 1.103 88 A CA -0.331 51.807 52.037 0.169 0.000 0.844 88 A CB 0.316 19.419 19.000 0.172 0.000 1.136 88 A HN 0.612 nan 8.150 nan 0.000 0.500 89 H N 0.347 119.552 119.070 0.224 0.000 2.848 89 H HA 0.116 4.672 4.556 0.000 0.000 0.317 89 H C 0.663 176.124 175.328 0.220 0.000 1.046 89 H CA 0.696 56.892 56.048 0.247 0.000 1.470 89 H CB 0.841 30.765 29.762 0.271 0.000 1.483 89 H HN 0.655 nan 8.280 nan 0.000 0.548 90 K N 3.465 124.113 120.400 0.414 0.000 2.439 90 K HA -0.079 4.241 4.320 0.000 0.000 0.197 90 K C 1.619 178.486 176.600 0.446 0.000 1.041 90 K CA 0.539 57.108 56.287 0.469 0.000 0.970 90 K CB 0.399 33.190 32.500 0.485 0.000 0.773 90 K HN 0.394 nan 8.250 nan 0.000 0.479 91 K N 0.893 121.398 120.400 0.175 0.000 2.486 91 K HA 0.015 4.335 4.320 0.000 0.000 0.194 91 K C 0.314 176.915 176.600 0.001 0.000 1.033 91 K CA 0.372 56.397 56.287 -0.437 0.000 1.004 91 K CB 0.276 32.107 32.500 -1.114 0.000 0.798 91 K HN 0.023 nan 8.250 nan 0.000 0.495 92 N N 1.640 120.449 118.700 0.182 0.000 2.466 92 N HA -0.016 4.724 4.740 0.000 0.000 0.251 92 N C -0.679 175.042 175.510 0.353 0.000 1.164 92 N CA 0.247 53.418 53.050 0.203 0.000 0.888 92 N CB 0.629 39.285 38.487 0.282 0.000 1.177 92 N HN 0.218 nan 8.380 nan 0.000 0.498 93 T N -4.146 110.609 114.554 0.336 0.000 2.943 93 T HA 0.331 4.681 4.350 0.000 0.000 0.284 93 T C 1.602 176.479 174.700 0.296 0.000 1.015 93 T CA -0.761 61.518 62.100 0.298 0.000 1.042 93 T CB 1.678 70.676 68.868 0.216 0.000 1.055 93 T HN -0.188 nan 8.240 nan 0.000 0.500 94 V N 1.258 121.323 119.914 0.252 0.000 2.392 94 V HA -0.132 3.988 4.120 0.000 0.000 0.249 94 V C 2.882 179.038 176.094 0.103 0.000 1.059 94 V CA 1.746 64.176 62.300 0.216 0.000 1.051 94 V CB -0.850 31.046 31.823 0.122 0.000 0.658 94 V HN 0.878 nan 8.190 nan 0.000 0.455 95 E N -0.379 119.819 120.200 -0.004 0.000 2.085 95 E HA -0.210 4.140 4.350 0.000 0.000 0.194 95 E C 2.083 178.598 176.600 -0.142 0.000 0.994 95 E CA 1.653 57.973 56.400 -0.134 0.000 0.801 95 E CB -0.254 29.268 29.700 -0.296 0.000 0.743 95 E HN 0.768 nan 8.360 nan 0.000 0.453 96 Y N 0.719 121.090 120.300 0.119 0.000 2.519 96 Y HA 0.005 4.555 4.550 -0.000 0.000 0.287 96 Y C 2.344 178.266 175.900 0.037 0.000 1.128 96 Y CA 0.428 58.584 58.100 0.093 0.000 1.282 96 Y CB -0.001 38.511 38.460 0.087 0.000 1.027 96 Y HN -0.005 nan 8.280 nan 0.000 0.551 97 Q N 0.441 120.338 119.800 0.162 0.000 2.172 97 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 97 Q C 1.649 177.714 176.000 0.108 0.000 0.964 97 Q CA 1.152 57.008 55.803 0.089 0.000 0.855 97 Q CB -0.070 28.710 28.738 0.070 0.000 0.918 97 Q HN 0.487 nan 8.270 nan 0.000 0.444 98 K N 0.270 120.735 120.400 0.109 0.000 2.262 98 K HA 0.077 4.397 4.320 0.000 0.000 0.200 98 K C 0.375 177.028 176.600 0.088 0.000 1.049 98 K CA 0.377 56.715 56.287 0.085 0.000 0.979 98 K CB 0.461 32.997 32.500 0.061 0.000 0.773 98 K HN 0.131 nan 8.250 nan 0.000 0.474 99 N N 1.309 120.082 118.700 0.122 0.000 2.733 99 N HA 0.078 4.818 4.740 0.000 0.000 0.271 99 N C 0.275 175.928 175.510 0.239 0.000 1.720 99 N CA 0.041 53.179 53.050 0.147 0.000 0.803 99 N CB 1.133 39.691 38.487 0.119 0.000 1.208 99 N HN 0.055 nan 8.380 nan 0.000 0.498 100 I N 0.225 120.916 120.570 0.202 0.000 2.335 100 I HA -0.250 3.920 4.170 0.000 0.000 0.251 100 I C 0.954 177.208 176.117 0.228 0.000 1.129 100 I CA 1.693 63.114 61.300 0.201 0.000 1.402 100 I CB 0.335 38.408 38.000 0.121 0.000 1.069 100 I HN 0.123 nan 8.210 nan 0.000 0.424 101 D N 1.006 121.537 120.400 0.218 0.000 2.312 101 D HA -0.123 4.517 4.640 0.000 0.000 0.211 101 D C 1.940 178.345 176.300 0.175 0.000 0.964 101 D CA 0.596 54.721 54.000 0.209 0.000 0.877 101 D CB -0.035 40.923 40.800 0.263 0.000 0.924 101 D HN 0.327 nan 8.370 nan 0.000 0.515 102 K N 0.041 120.580 120.400 0.232 0.000 2.362 102 K HA -0.077 4.243 4.320 0.000 0.000 0.200 102 K C 1.718 178.428 176.600 0.184 0.000 1.046 102 K CA -0.007 56.420 56.287 0.232 0.000 0.952 102 K CB -0.348 32.349 32.500 0.328 0.000 0.753 102 K HN 0.201 nan 8.250 nan 0.000 0.466 103 F N 1.216 121.146 119.950 -0.034 0.000 2.269 103 F HA -0.164 4.363 4.527 0.000 0.000 0.301 103 F C 2.084 177.764 175.800 -0.201 0.000 1.082 103 F CA 0.510 58.319 58.000 -0.319 0.000 1.360 103 F CB -0.251 38.522 39.000 -0.379 0.000 1.041 103 F HN -0.239 nan 8.300 nan 0.000 0.512 104 V N 0.730 120.564 119.914 -0.134 0.000 2.453 104 V HA -0.377 3.743 4.120 0.000 0.000 0.252 104 V C 1.761 177.674 176.094 -0.301 0.000 1.068 104 V CA 2.739 64.906 62.300 -0.222 0.000 1.070 104 V CB -0.645 31.062 31.823 -0.193 0.000 0.664 104 V HN 0.464 nan 8.190 nan 0.000 0.461 105 N N -0.610 117.945 118.700 -0.242 0.000 2.188 105 N HA -0.131 4.609 4.740 0.000 0.000 0.184 105 N C 1.639 176.970 175.510 -0.298 0.000 1.018 105 N CA 1.512 54.436 53.050 -0.210 0.000 0.858 105 N CB -0.238 38.190 38.487 -0.098 0.000 0.989 105 N HN 0.416 nan 8.380 nan 0.000 0.426 106 V N 1.228 120.847 119.914 -0.492 0.000 2.343 106 V HA -0.198 3.922 4.120 0.000 0.000 0.247 106 V C 2.037 177.792 176.094 -0.566 0.000 1.051 106 V CA 1.384 63.342 62.300 -0.569 0.000 1.036 106 V CB -0.521 30.715 31.823 -0.978 0.000 0.654 106 V HN 0.293 nan 8.190 nan 0.000 0.451 107 I N -0.336 119.798 120.570 -0.727 0.000 2.127 107 I HA -0.277 3.893 4.170 0.000 0.000 0.241 107 I C 2.784 178.639 176.117 -0.436 0.000 1.075 107 I CA 1.479 62.399 61.300 -0.633 0.000 1.334 107 I CB -0.529 37.142 38.000 -0.547 0.000 1.040 107 I HN 0.299 nan 8.210 nan 0.000 0.405 108 Q N 0.562 120.165 119.800 -0.329 0.000 2.135 108 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 108 Q C 2.329 178.228 176.000 -0.168 0.000 0.981 108 Q CA 1.842 57.511 55.803 -0.223 0.000 0.856 108 Q CB -0.880 27.743 28.738 -0.191 0.000 0.902 108 Q HN 0.653 nan 8.270 nan 0.000 0.425 109 G N 1.315 110.015 108.800 -0.167 0.000 2.470 109 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 109 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 109 G C 1.038 175.893 174.900 -0.075 0.000 1.121 109 G CA 0.815 45.853 45.100 -0.104 0.000 0.766 109 G HN 0.530 nan 8.290 nan 0.000 0.553 110 Q N -0.686 119.053 119.800 -0.100 0.000 2.141 110 Q HA 0.475 4.815 4.340 0.000 0.000 0.248 110 Q C -0.378 175.610 176.000 -0.021 0.000 0.834 110 Q CA -0.294 55.490 55.803 -0.033 0.000 1.096 110 Q CB 0.194 28.940 28.738 0.014 0.000 1.189 110 Q HN 0.242 nan 8.270 nan 0.000 0.471 111 L N 2.127 123.315 121.223 -0.059 0.000 2.319 111 L HA 0.555 4.895 4.340 0.000 0.000 0.281 111 L C -0.807 176.063 176.870 0.001 0.000 1.005 111 L CA -0.748 54.077 54.840 -0.025 0.000 0.828 111 L CB 1.650 43.660 42.059 -0.083 0.000 1.227 111 L HN 0.266 nan 8.230 nan 0.000 0.415 112 M N 2.117 121.744 119.600 0.044 0.000 2.167 112 M HA 0.347 4.827 4.480 0.000 0.000 0.333 112 M C -0.018 176.319 176.300 0.062 0.000 1.030 112 M CA -0.523 54.809 55.300 0.053 0.000 0.963 112 M CB 1.390 34.043 32.600 0.088 0.000 1.589 112 M HN 0.335 nan 8.290 nan 0.000 0.431 113 S N 1.762 117.485 115.700 0.039 0.000 2.549 113 S HA 0.169 4.639 4.470 0.000 0.000 0.286 113 S C 1.628 176.265 174.600 0.061 0.000 1.314 113 S CA -0.552 57.672 58.200 0.039 0.000 1.062 113 S CB 0.963 64.172 63.200 0.015 0.000 0.865 113 S HN 0.535 nan 8.310 nan 0.000 0.498 114 V N 2.342 122.305 119.914 0.083 0.000 2.283 114 V HA 0.010 4.130 4.120 0.000 0.000 0.243 114 V C 1.186 177.283 176.094 0.005 0.000 1.039 114 V CA 1.400 63.741 62.300 0.069 0.000 1.016 114 V CB 0.037 31.945 31.823 0.141 0.000 0.650 114 V HN 0.788 nan 8.190 nan 0.000 0.449 115 S N -0.620 115.104 115.700 0.040 0.000 2.736 115 S HA 0.562 5.032 4.470 0.000 0.000 0.285 115 S C -1.164 173.437 174.600 0.002 0.000 1.163 115 S CA -0.456 57.728 58.200 -0.026 0.000 1.025 115 S CB 1.550 64.698 63.200 -0.086 0.000 1.030 115 S HN 0.005 nan 8.310 nan 0.000 0.486 116 V N 7.791 127.693 119.914 -0.021 0.000 2.409 116 V HA 0.564 4.684 4.120 0.000 0.000 0.291 116 V C -2.034 174.041 176.094 -0.032 0.000 1.020 116 V CA -1.833 60.454 62.300 -0.021 0.000 0.848 116 V CB 1.664 33.474 31.823 -0.022 0.000 0.990 116 V HN 0.720 nan 8.190 nan 0.000 0.430 117 P HA 0.169 nan 4.420 nan 0.000 0.274 117 P C -0.157 177.118 177.300 -0.042 0.000 1.237 117 P CA -0.112 62.968 63.100 -0.034 0.000 0.793 117 P CB 0.958 32.639 31.700 -0.031 0.000 0.977 118 V N 2.681 122.574 119.914 -0.035 0.000 2.617 118 V HA -0.070 4.050 4.120 0.000 0.000 0.304 118 V C 1.342 177.388 176.094 -0.079 0.000 1.040 118 V CA 0.314 62.589 62.300 -0.042 0.000 1.149 118 V CB -0.833 30.986 31.823 -0.006 0.000 0.914 118 V HN 0.634 nan 8.190 nan 0.000 0.487 119 N N 3.754 122.398 118.700 -0.094 0.000 2.497 119 N HA 0.091 4.831 4.740 0.000 0.000 0.271 119 N C 0.605 175.954 175.510 -0.269 0.000 1.142 119 N CA 0.483 53.450 53.050 -0.137 0.000 0.965 119 N CB 1.503 39.934 38.487 -0.092 0.000 1.077 119 N HN 0.879 nan 8.380 nan 0.000 0.462 120 T N 0.693 114.974 114.554 -0.455 0.000 3.288 120 T HA 0.269 4.619 4.350 0.000 0.000 0.293 120 T C 0.740 174.968 174.700 -0.787 0.000 1.008 120 T CA -0.434 61.007 62.100 -1.098 0.000 0.929 120 T CB -0.460 67.869 68.868 -0.899 0.000 1.152 120 T HN 0.270 nan 8.240 nan 0.000 0.517 121 L N 2.096 123.114 121.223 -0.341 0.000 2.455 121 L HA 0.340 4.680 4.340 0.000 0.000 0.272 121 L C 0.116 176.997 176.870 0.018 0.000 1.174 121 L CA -0.659 54.100 54.840 -0.135 0.000 0.869 121 L CB 0.850 42.872 42.059 -0.062 0.000 1.130 121 L HN 0.081 nan 8.230 nan 0.000 0.474 122 V N 5.004 124.957 119.914 0.066 0.000 2.408 122 V HA 0.144 4.264 4.120 0.000 0.000 0.267 122 V C 0.205 176.364 176.094 0.109 0.000 1.047 122 V CA -0.419 61.986 62.300 0.175 0.000 0.937 122 V CB 1.377 33.288 31.823 0.146 0.000 0.999 122 V HN 0.401 nan 8.190 nan 0.000 0.472 123 V N 5.563 125.547 119.914 0.117 0.000 2.328 123 V HA 0.365 4.485 4.120 0.000 0.000 0.278 123 V C 0.229 176.356 176.094 0.055 0.000 1.021 123 V CA -0.414 61.929 62.300 0.072 0.000 0.838 123 V CB 1.428 33.293 31.823 0.070 0.000 0.999 123 V HN 1.062 nan 8.190 nan 0.000 0.447 124 D N 2.017 122.441 120.400 0.040 0.000 2.571 124 D HA 0.015 4.655 4.640 0.000 0.000 0.239 124 D C 1.052 177.362 176.300 0.017 0.000 1.267 124 D CA 0.225 54.240 54.000 0.025 0.000 0.823 124 D CB 0.414 41.229 40.800 0.024 0.000 1.056 124 D HN 0.550 nan 8.370 nan 0.000 0.494 125 T N -1.851 112.716 114.554 0.021 0.000 3.228 125 T HA 0.341 4.691 4.350 0.000 0.000 0.278 125 T C 0.711 175.423 174.700 0.020 0.000 1.014 125 T CA -0.512 61.599 62.100 0.017 0.000 0.904 125 T CB -0.149 68.730 68.868 0.017 0.000 1.110 125 T HN 0.011 nan 8.240 nan 0.000 0.541 126 L N 1.865 123.101 121.223 0.023 0.000 2.473 126 L HA 0.344 4.684 4.340 0.000 0.000 0.268 126 L C 1.120 178.001 176.870 0.019 0.000 1.215 126 L CA -0.568 54.288 54.840 0.027 0.000 0.823 126 L CB 0.445 42.524 42.059 0.034 0.000 1.099 126 L HN 0.220 nan 8.230 nan 0.000 0.483 127 S N 1.276 116.990 115.700 0.023 0.000 2.572 127 S HA 0.130 4.600 4.470 0.000 0.000 0.279 127 S C -1.489 173.119 174.600 0.013 0.000 1.341 127 S CA -1.070 57.141 58.200 0.018 0.000 1.043 127 S CB 0.851 64.065 63.200 0.024 0.000 0.887 127 S HN 0.383 nan 8.310 nan 0.000 0.516 128 P HA -0.071 nan 4.420 nan 0.000 0.221 128 P C 1.260 178.561 177.300 0.002 0.000 1.145 128 P CA 1.235 64.333 63.100 -0.004 0.000 0.795 128 P CB -0.163 31.534 31.700 -0.005 0.000 0.775 129 T N -5.846 108.718 114.554 0.017 0.000 3.067 129 T HA 0.103 4.453 4.350 0.000 0.000 0.261 129 T C 1.015 175.747 174.700 0.053 0.000 1.110 129 T CA 0.063 62.180 62.100 0.029 0.000 1.113 129 T CB -0.496 68.390 68.868 0.030 0.000 0.917 129 T HN -0.107 nan 8.240 nan 0.000 0.499 130 S N 1.365 117.100 115.700 0.058 0.000 2.565 130 S HA 0.317 4.787 4.470 0.000 0.000 0.276 130 S C -0.594 174.087 174.600 0.135 0.000 1.326 130 S CA -1.009 57.254 58.200 0.105 0.000 1.045 130 S CB 0.219 63.475 63.200 0.094 0.000 0.918 130 S HN 0.592 nan 8.310 nan 0.000 0.505 131 W N 2.963 124.270 121.300 0.012 0.000 2.251 131 W HA 0.183 4.843 4.660 0.000 0.000 0.327 131 W C 0.170 176.704 176.519 0.024 0.000 1.361 131 W CA 0.280 57.632 57.345 0.011 0.000 1.234 131 W CB 0.263 29.729 29.460 0.010 0.000 1.212 131 W HN 0.480 nan 8.180 nan 0.000 0.557 132 Q N 4.376 123.813 119.800 -0.606 0.000 2.289 132 Q HA 0.508 4.848 4.340 0.000 0.000 0.270 132 Q C -0.470 174.822 176.000 -1.179 0.000 1.038 132 Q CA -0.807 54.659 55.803 -0.563 0.000 0.812 132 Q CB 2.070 30.632 28.738 -0.294 0.000 1.300 132 Q HN 0.614 nan 8.270 nan 0.000 0.427 133 A N 1.264 123.538 122.820 -0.911 0.000 2.296 133 A HA 0.310 4.630 4.320 0.000 0.000 0.264 133 A C 0.578 177.969 177.584 -0.321 0.000 1.097 133 A CA -0.112 51.589 52.037 -0.561 0.000 0.811 133 A CB 0.564 19.570 19.000 0.010 0.000 1.072 133 A HN 0.755 nan 8.150 nan 0.000 0.495 134 S N -0.600 114.953 115.700 -0.244 0.000 2.556 134 S HA 0.194 4.664 4.470 0.000 0.000 0.216 134 S C 0.503 174.978 174.600 -0.208 0.000 0.970 134 S CA 0.576 58.649 58.200 -0.213 0.000 0.912 134 S CB -0.377 62.724 63.200 -0.166 0.000 0.790 134 S HN 1.107 nan 8.310 nan 0.000 0.504 135 T N -1.640 112.817 114.554 -0.162 0.000 2.841 135 T HA 0.632 4.982 4.350 0.000 0.000 0.296 135 T C -0.979 173.628 174.700 -0.154 0.000 1.166 135 T CA -0.734 61.265 62.100 -0.168 0.000 1.007 135 T CB 0.659 69.546 68.868 0.032 0.000 1.253 135 T HN -0.099 nan 8.240 nan 0.000 0.511 136 F N 2.951 122.975 119.950 0.123 0.000 2.541 136 F HA 0.415 4.942 4.527 0.000 0.000 0.351 136 F C 0.363 176.199 175.800 0.060 0.000 1.209 136 F CA -1.893 56.135 58.000 0.045 0.000 1.277 136 F CB -0.853 38.150 39.000 0.006 0.000 1.632 136 F HN 0.567 nan 8.300 nan 0.000 0.619 137 F N -0.726 119.318 119.950 0.157 0.000 2.375 137 F HA 0.591 5.118 4.527 0.000 0.000 0.313 137 F C -0.038 175.832 175.800 0.118 0.000 1.176 137 F CA -1.597 56.475 58.000 0.121 0.000 1.142 137 F CB -0.085 38.977 39.000 0.103 0.000 1.275 137 F HN -0.165 nan 8.300 nan 0.000 0.544 138 V N 3.039 123.082 119.914 0.216 0.000 2.425 138 V HA 0.233 4.353 4.120 0.000 0.000 0.276 138 V C 0.156 176.266 176.094 0.028 0.000 1.017 138 V CA 0.153 62.504 62.300 0.085 0.000 1.062 138 V CB -0.815 31.086 31.823 0.129 0.000 0.997 138 V HN 0.728 nan 8.190 nan 0.000 0.476 139 R N 3.806 124.218 120.500 -0.147 0.000 2.795 139 R HA 0.476 4.816 4.340 0.000 0.000 0.275 139 R C 0.216 176.468 176.300 -0.079 0.000 0.981 139 R CA -0.940 55.044 56.100 -0.194 0.000 0.917 139 R CB 1.308 31.353 30.300 -0.425 0.000 1.202 139 R HN 0.667 nan 8.270 nan 0.000 0.469 140 N N 0.539 119.218 118.700 -0.036 0.000 2.725 140 N HA -0.197 4.543 4.740 0.000 0.000 0.249 140 N C 0.495 175.993 175.510 -0.019 0.000 1.103 140 N CA 1.570 54.604 53.050 -0.026 0.000 0.707 140 N CB -1.174 37.290 38.487 -0.039 0.000 1.043 140 N HN 1.065 nan 8.380 nan 0.000 0.553 141 G N -1.874 106.921 108.800 -0.008 0.000 2.179 141 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 141 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 141 G C 0.243 175.138 174.900 -0.009 0.000 0.977 141 G CA 0.943 46.041 45.100 -0.003 0.000 0.641 141 G HN 1.367 nan 8.290 nan 0.000 0.533 142 S N -0.415 115.274 115.700 -0.019 0.000 2.579 142 S HA 0.472 4.942 4.470 0.000 0.000 0.275 142 S C 0.108 174.698 174.600 -0.017 0.000 1.345 142 S CA 0.156 58.342 58.200 -0.024 0.000 1.031 142 S CB 1.737 64.914 63.200 -0.038 0.000 0.892 142 S HN 0.683 nan 8.310 nan 0.000 0.529 143 N N 2.240 120.923 118.700 -0.029 0.000 2.527 143 N HA 0.368 5.108 4.740 0.000 0.000 0.236 143 N C -1.672 173.823 175.510 -0.026 0.000 0.999 143 N CA -2.541 50.485 53.050 -0.040 0.000 0.935 143 N CB 1.246 39.680 38.487 -0.088 0.000 1.132 143 N HN 0.379 nan 8.380 nan 0.000 0.511 144 P HA -0.043 nan 4.420 nan 0.000 0.230 144 P C 0.269 177.592 177.300 0.038 0.000 1.158 144 P CA 0.820 63.938 63.100 0.029 0.000 0.769 144 P CB 0.562 32.295 31.700 0.055 0.000 0.807 145 E N -0.189 120.021 120.200 0.017 0.000 2.358 145 E HA -0.087 4.263 4.350 0.000 0.000 0.195 145 E C 0.901 177.510 176.600 0.016 0.000 1.010 145 E CA 0.536 56.967 56.400 0.052 0.000 0.856 145 E CB -0.090 29.593 29.700 -0.030 0.000 0.795 145 E HN 0.310 nan 8.360 nan 0.000 0.504 146 Q N 2.203 121.976 119.800 -0.045 0.000 2.294 146 Q HA 0.036 4.376 4.340 0.000 0.000 0.257 146 Q C -0.834 175.173 176.000 0.011 0.000 0.955 146 Q CA -0.215 55.558 55.803 -0.049 0.000 0.936 146 Q CB 0.836 29.531 28.738 -0.072 0.000 1.188 146 Q HN -0.203 nan 8.270 nan 0.000 0.420 147 D N 5.847 126.273 120.400 0.043 0.000 2.343 147 D HA 0.090 4.730 4.640 0.000 0.000 0.255 147 D C -1.726 174.590 176.300 0.027 0.000 1.187 147 D CA -1.967 52.060 54.000 0.044 0.000 0.875 147 D CB 1.344 42.184 40.800 0.067 0.000 1.136 147 D HN 0.427 nan 8.370 nan 0.000 0.469 148 P HA -0.074 nan 4.420 nan 0.000 0.222 148 P C 1.217 178.519 177.300 0.003 0.000 1.147 148 P CA 0.738 63.835 63.100 -0.004 0.000 0.790 148 P CB 0.278 31.964 31.700 -0.023 0.000 0.780 149 L N -1.285 119.944 121.223 0.011 0.000 2.592 149 L HA 0.184 4.524 4.340 0.000 0.000 0.227 149 L C 1.475 178.361 176.870 0.028 0.000 1.127 149 L CA 0.237 55.085 54.840 0.014 0.000 0.884 149 L CB -0.237 41.827 42.059 0.008 0.000 1.065 149 L HN -0.175 nan 8.230 nan 0.000 0.457 150 R N -0.116 120.409 120.500 0.043 0.000 2.734 150 R HA 0.217 4.557 4.340 0.000 0.000 0.395 150 R C -0.422 175.936 176.300 0.097 0.000 1.096 150 R CA -0.259 55.881 56.100 0.067 0.000 1.071 150 R CB 0.349 30.692 30.300 0.072 0.000 1.348 150 R HN 0.062 nan 8.270 nan 0.000 0.600 151 N N 0.575 119.307 118.700 0.052 0.000 2.459 151 N HA 0.373 5.113 4.740 0.000 0.000 0.288 151 N C -0.741 174.674 175.510 -0.159 0.000 1.186 151 N CA -0.621 52.438 53.050 0.016 0.000 0.917 151 N CB 1.268 39.764 38.487 0.015 0.000 1.219 151 N HN 0.076 nan 8.380 nan 0.000 0.525 152 L N 2.104 123.073 121.223 -0.423 0.000 2.494 152 L HA 0.213 4.553 4.340 0.000 0.000 0.251 152 L C 1.446 178.121 176.870 -0.325 0.000 1.119 152 L CA -0.287 54.175 54.840 -0.629 0.000 1.026 152 L CB 0.479 41.752 42.059 -1.310 0.000 1.370 152 L HN 0.652 nan 8.230 nan 0.000 0.426 153 S N -0.122 115.483 115.700 -0.157 0.000 2.419 153 S HA -0.118 4.352 4.470 0.000 0.000 0.233 153 S C 1.770 176.327 174.600 -0.072 0.000 1.016 153 S CA 1.028 59.183 58.200 -0.074 0.000 0.974 153 S CB -0.180 62.991 63.200 -0.048 0.000 0.786 153 S HN 0.634 nan 8.310 nan 0.000 0.492 154 G N 0.442 109.183 108.800 -0.099 0.000 2.813 154 G HA2 0.094 4.054 3.960 0.000 0.000 0.209 154 G HA3 0.094 4.054 3.960 0.000 0.000 0.209 154 G C 0.564 175.422 174.900 -0.070 0.000 1.150 154 G CA -0.293 44.761 45.100 -0.076 0.000 0.785 154 G HN 0.364 nan 8.290 nan 0.000 0.535 155 Q N 0.569 120.305 119.800 -0.108 0.000 2.330 155 Q HA 0.504 4.844 4.340 0.000 0.000 0.279 155 Q C -0.103 175.919 176.000 0.037 0.000 1.024 155 Q CA 0.320 56.090 55.803 -0.055 0.000 0.900 155 Q CB 1.371 30.043 28.738 -0.110 0.000 1.221 155 Q HN 0.294 nan 8.270 nan 0.000 0.396 156 A N 1.957 124.813 122.820 0.061 0.000 2.609 156 A HA 0.724 5.044 4.320 0.000 0.000 0.291 156 A C -1.091 176.559 177.584 0.111 0.000 1.096 156 A CA -0.501 51.581 52.037 0.076 0.000 0.684 156 A CB 1.245 20.269 19.000 0.040 0.000 1.282 156 A HN 0.473 nan 8.150 nan 0.000 0.412 157 V N -2.108 117.884 119.914 0.131 0.000 3.001 157 V HA 0.948 5.068 4.120 0.000 0.000 0.314 157 V C -0.414 175.768 176.094 0.148 0.000 1.099 157 V CA -0.557 61.844 62.300 0.169 0.000 0.989 157 V CB 1.613 33.597 31.823 0.269 0.000 1.040 157 V HN 0.900 nan 8.190 nan 0.000 0.434 158 T N 2.569 117.211 114.554 0.147 0.000 2.812 158 T HA 0.585 4.935 4.350 0.000 0.000 0.282 158 T C -0.279 174.465 174.700 0.074 0.000 0.990 158 T CA -0.459 61.716 62.100 0.124 0.000 0.960 158 T CB 1.187 70.161 68.868 0.177 0.000 0.948 158 T HN 0.757 nan 8.240 nan 0.000 0.438 159 R N 2.514 123.045 120.500 0.051 0.000 2.477 159 R HA 0.558 4.898 4.340 0.000 0.000 0.285 159 R C -0.686 175.629 176.300 0.025 0.000 1.415 159 R CA -0.518 55.582 56.100 0.001 0.000 1.446 159 R CB 0.723 30.997 30.300 -0.042 0.000 1.110 159 R HN 0.518 nan 8.270 nan 0.000 0.590 160 V N -2.037 117.895 119.914 0.029 0.000 3.087 160 V HA 0.485 4.605 4.120 0.000 0.000 0.306 160 V C 0.044 176.156 176.094 0.030 0.000 1.187 160 V CA -1.119 61.204 62.300 0.038 0.000 0.999 160 V CB 2.033 33.889 31.823 0.054 0.000 1.049 160 V HN 0.066 nan 8.190 nan 0.000 0.431 161 V N 3.452 123.388 119.914 0.036 0.000 2.599 161 V HA 0.488 4.608 4.120 0.000 0.000 0.300 161 V C 1.727 177.840 176.094 0.032 0.000 1.034 161 V CA 1.953 64.274 62.300 0.036 0.000 1.115 161 V CB 0.059 31.907 31.823 0.042 0.000 0.934 161 V HN 2.055 nan 8.190 nan 0.000 0.485 162 G N 3.199 112.013 108.800 0.022 0.000 2.213 162 G HA2 -0.013 3.947 3.960 0.000 0.000 0.236 162 G HA3 -0.013 3.947 3.960 0.000 0.000 0.236 162 G C 1.004 175.878 174.900 -0.043 0.000 0.991 162 G CA 0.293 45.393 45.100 0.001 0.000 0.629 162 G HN 2.112 nan 8.290 nan 0.000 0.517 163 G N 0.170 108.955 108.800 -0.026 0.000 2.594 163 G HA2 -0.288 3.672 3.960 0.000 0.000 0.297 163 G HA3 -0.288 3.672 3.960 0.000 0.000 0.297 163 G C 1.195 176.034 174.900 -0.102 0.000 1.273 163 G CA 1.330 46.407 45.100 -0.038 0.000 0.974 163 G HN 1.092 nan 8.290 nan 0.000 0.552 164 M N 1.552 121.056 119.600 -0.160 0.000 2.476 164 M HA -0.004 4.476 4.480 0.000 0.000 0.262 164 M C 2.735 178.691 176.300 -0.573 0.000 1.079 164 M CA 1.687 56.755 55.300 -0.388 0.000 1.104 164 M CB -0.196 32.288 32.600 -0.193 0.000 1.409 164 M HN 0.717 nan 8.290 nan 0.000 0.467 165 S N -0.440 114.969 115.700 -0.485 0.000 2.547 165 S HA -0.077 4.393 4.470 0.000 0.000 0.235 165 S C 1.677 176.121 174.600 -0.261 0.000 0.980 165 S CA 1.250 59.042 58.200 -0.679 0.000 0.941 165 S CB -0.961 61.872 63.200 -0.612 0.000 0.763 165 S HN 0.580 nan 8.310 nan 0.000 0.532 166 T N -0.724 113.693 114.554 -0.227 0.000 3.113 166 T HA 0.037 4.387 4.350 0.000 0.000 0.256 166 T C 1.352 175.903 174.700 -0.248 0.000 1.131 166 T CA 0.839 62.843 62.100 -0.160 0.000 1.074 166 T CB -0.671 68.196 68.868 -0.001 0.000 0.944 166 T HN 0.911 nan 8.240 nan 0.000 0.516 167 H N -2.024 116.984 119.070 -0.102 0.000 3.680 167 H HA 0.194 4.750 4.556 0.000 0.000 0.260 167 H C 0.596 176.132 175.328 0.347 0.000 1.183 167 H CA -0.997 55.133 56.048 0.137 0.000 1.159 167 H CB -0.500 29.346 29.762 0.139 0.000 1.567 167 H HN 0.477 nan 8.280 nan 0.000 0.648 168 W N 2.910 124.149 121.300 -0.101 0.000 2.042 168 W HA 0.247 4.907 4.660 -0.000 0.000 0.358 168 W C 0.018 176.645 176.519 0.181 0.000 1.325 168 W CA 0.043 57.445 57.345 0.096 0.000 1.311 168 W CB -0.221 29.224 29.460 -0.025 0.000 1.210 168 W HN -0.173 nan 8.180 nan 0.000 0.620 169 T N 1.012 115.529 114.554 -0.061 0.000 3.088 169 T HA -0.011 4.339 4.350 0.000 0.000 0.259 169 T C 1.088 175.356 174.700 -0.719 0.000 1.122 169 T CA 1.194 63.099 62.100 -0.325 0.000 1.095 169 T CB -0.526 68.314 68.868 -0.046 0.000 0.930 169 T HN 0.663 nan 8.240 nan 0.000 0.508 170 C N 0.918 119.368 119.300 -1.418 0.000 4.497 170 C HA -0.117 4.343 4.460 0.000 0.000 0.268 170 C C 1.133 175.628 174.990 -0.826 0.000 1.343 170 C CA -0.768 57.172 59.018 -1.796 0.000 1.742 170 C CB -2.711 24.520 27.740 -0.848 0.000 1.450 170 C HN 0.764 nan 8.230 nan 0.000 0.733 171 A N 1.146 123.690 122.820 -0.459 0.000 2.404 171 A HA 0.543 4.863 4.320 0.000 0.000 0.273 171 A C 0.795 178.296 177.584 -0.138 0.000 1.144 171 A CA 1.141 53.060 52.037 -0.195 0.000 0.806 171 A CB 0.169 19.120 19.000 -0.080 0.000 1.080 171 A HN 1.351 nan 8.150 nan 0.000 0.509 172 T N 1.677 116.169 114.554 -0.103 0.000 3.466 172 T HA 0.498 4.848 4.350 0.000 0.000 0.297 172 T C -2.647 172.010 174.700 -0.072 0.000 1.640 172 T CA -1.457 60.622 62.100 -0.036 0.000 1.631 172 T CB 0.484 69.374 68.868 0.036 0.000 0.928 172 T HN 0.469 nan 8.240 nan 0.000 0.688 173 P HA 0.358 nan 4.420 nan 0.000 0.276 173 P C -0.224 176.928 177.300 -0.246 0.000 1.244 173 P CA -0.631 62.368 63.100 -0.169 0.000 0.801 173 P CB 1.161 32.727 31.700 -0.223 0.000 1.006 174 R N 0.845 121.114 120.500 -0.385 0.000 2.531 174 R HA 0.385 4.725 4.340 0.000 0.000 0.273 174 R C 0.130 176.287 176.300 -0.239 0.000 1.070 174 R CA -0.495 55.160 56.100 -0.741 0.000 1.112 174 R CB 0.166 29.882 30.300 -0.972 0.000 1.049 174 R HN 0.373 nan 8.270 nan 0.000 0.508 175 F N 2.077 121.782 119.950 -0.408 0.000 2.429 175 F HA 0.021 4.548 4.527 0.000 0.000 0.348 175 F C 1.127 176.745 175.800 -0.304 0.000 1.109 175 F CA -1.351 56.451 58.000 -0.331 0.000 1.232 175 F CB 0.124 38.923 39.000 -0.335 0.000 1.157 175 F HN 0.556 nan 8.300 nan 0.000 0.564 176 D N 2.448 122.778 120.400 -0.117 0.000 2.414 176 D HA 0.109 4.749 4.640 0.000 0.000 0.251 176 D C 1.045 177.265 176.300 -0.132 0.000 1.252 176 D CA -0.414 53.520 54.000 -0.111 0.000 0.999 176 D CB 0.520 41.272 40.800 -0.080 0.000 1.093 176 D HN 0.473 nan 8.370 nan 0.000 0.515 177 R N -0.489 119.959 120.500 -0.088 0.000 2.105 177 R HA -0.163 4.177 4.340 0.000 0.000 0.239 177 R C 2.084 178.334 176.300 -0.083 0.000 1.135 177 R CA 1.868 57.922 56.100 -0.078 0.000 0.967 177 R CB -0.298 29.990 30.300 -0.020 0.000 0.861 177 R HN 0.740 nan 8.270 nan 0.000 0.442 178 E N 0.542 120.690 120.200 -0.086 0.000 2.268 178 E HA -0.219 4.131 4.350 0.000 0.000 0.195 178 E C 1.206 177.706 176.600 -0.167 0.000 0.995 178 E CA 1.037 57.394 56.400 -0.070 0.000 0.836 178 E CB 0.019 29.726 29.700 0.012 0.000 0.763 178 E HN 0.453 nan 8.360 nan 0.000 0.491 179 Q N 0.140 119.751 119.800 -0.316 0.000 2.282 179 Q HA 0.185 4.525 4.340 0.000 0.000 0.206 179 Q C 0.293 176.195 176.000 -0.163 0.000 0.878 179 Q CA -0.179 55.366 55.803 -0.429 0.000 0.944 179 Q CB 0.653 28.826 28.738 -0.941 0.000 1.100 179 Q HN 0.034 nan 8.270 nan 0.000 0.509 180 R N 1.903 122.347 120.500 -0.094 0.000 2.514 180 R HA 0.320 4.660 4.340 0.000 0.000 0.301 180 R C -2.623 173.655 176.300 -0.038 0.000 0.962 180 R CA -2.149 53.892 56.100 -0.099 0.000 0.882 180 R CB 1.059 31.128 30.300 -0.384 0.000 1.143 180 R HN -0.139 nan 8.270 nan 0.000 0.452 181 P HA 0.035 nan 4.420 nan 0.000 0.271 181 P C -0.648 176.816 177.300 0.273 0.000 1.218 181 P CA -0.060 63.126 63.100 0.144 0.000 0.780 181 P CB 0.546 32.347 31.700 0.169 0.000 0.901 182 L N 2.800 124.154 121.223 0.218 0.000 2.416 182 L HA 0.138 4.478 4.340 0.000 0.000 0.272 182 L C 1.641 178.676 176.870 0.276 0.000 1.161 182 L CA -0.047 54.995 54.840 0.336 0.000 0.845 182 L CB 0.149 42.459 42.059 0.419 0.000 1.119 182 L HN 0.372 nan 8.230 nan 0.000 0.464 183 L N 3.323 124.741 121.223 0.325 0.000 2.575 183 L HA 0.217 4.557 4.340 0.000 0.000 0.228 183 L C -0.186 176.850 176.870 0.275 0.000 1.075 183 L CA 0.173 55.083 54.840 0.117 0.000 0.867 183 L CB 0.693 42.600 42.059 -0.254 0.000 1.097 183 L HN 0.326 nan 8.230 nan 0.000 0.485 184 V N 0.157 120.250 119.914 0.298 0.000 2.656 184 V HA 0.263 4.383 4.120 0.000 0.000 0.307 184 V C -0.361 175.816 176.094 0.138 0.000 1.051 184 V CA -1.050 61.364 62.300 0.189 0.000 0.893 184 V CB 2.054 33.936 31.823 0.098 0.000 0.999 184 V HN 0.035 nan 8.190 nan 0.000 0.426 185 K N 2.816 123.159 120.400 -0.094 0.000 2.322 185 K HA 0.255 4.575 4.320 0.000 0.000 0.283 185 K C 0.216 176.775 176.600 -0.069 0.000 1.042 185 K CA 0.054 56.218 56.287 -0.206 0.000 0.958 185 K CB 0.171 32.408 32.500 -0.437 0.000 0.984 185 K HN 0.767 nan 8.250 nan 0.000 0.473 186 D N 1.968 122.354 120.400 -0.024 0.000 2.751 186 D HA -0.212 4.428 4.640 0.000 0.000 0.233 186 D C -0.728 175.578 176.300 0.010 0.000 1.149 186 D CA 1.204 55.201 54.000 -0.005 0.000 0.682 186 D CB -0.550 40.233 40.800 -0.027 0.000 1.068 186 D HN 0.561 nan 8.370 nan 0.000 0.429 187 D N -1.150 119.268 120.400 0.031 0.000 2.411 187 D HA 0.414 5.054 4.640 0.000 0.000 0.239 187 D C 0.901 177.237 176.300 0.061 0.000 1.307 187 D CA 0.134 54.156 54.000 0.037 0.000 0.930 187 D CB 0.684 41.499 40.800 0.026 0.000 1.395 187 D HN -0.007 nan 8.370 nan 0.000 0.536 188 A N 2.769 125.626 122.820 0.061 0.000 1.908 188 A HA -0.184 4.136 4.320 0.000 0.000 0.218 188 A C 1.636 179.268 177.584 0.081 0.000 1.181 188 A CA 1.516 53.598 52.037 0.076 0.000 0.627 188 A CB -0.068 18.968 19.000 0.061 0.000 0.818 188 A HN 0.503 nan 8.150 nan 0.000 0.445 189 D N 0.009 120.446 120.400 0.062 0.000 2.117 189 D HA -0.035 4.605 4.640 0.000 0.000 0.198 189 D C 2.229 178.569 176.300 0.066 0.000 0.982 189 D CA 1.489 55.525 54.000 0.060 0.000 0.828 189 D CB -0.441 40.385 40.800 0.044 0.000 0.967 189 D HN 0.443 nan 8.370 nan 0.000 0.464 190 A N 0.962 123.818 122.820 0.059 0.000 1.930 190 A HA -0.197 4.123 4.320 0.000 0.000 0.217 190 A C 1.955 179.584 177.584 0.074 0.000 1.175 190 A CA 1.923 53.991 52.037 0.052 0.000 0.627 190 A CB -0.587 18.436 19.000 0.037 0.000 0.815 190 A HN 0.169 nan 8.150 nan 0.000 0.443 191 D N -0.093 120.375 120.400 0.113 0.000 2.092 191 D HA -0.183 4.457 4.640 0.000 0.000 0.193 191 D C 1.283 177.742 176.300 0.266 0.000 0.994 191 D CA 1.676 55.790 54.000 0.190 0.000 0.828 191 D CB -0.152 40.788 40.800 0.233 0.000 0.963 191 D HN 0.339 nan 8.370 nan 0.000 0.450 192 D N -0.306 120.222 120.400 0.213 0.000 2.133 192 D HA -0.172 4.468 4.640 0.000 0.000 0.195 192 D C 1.923 178.335 176.300 0.186 0.000 0.997 192 D CA 1.562 55.687 54.000 0.208 0.000 0.840 192 D CB -0.528 40.350 40.800 0.130 0.000 0.947 192 D HN 0.360 nan 8.370 nan 0.000 0.452 193 A N 0.370 123.261 122.820 0.117 0.000 1.929 193 A HA -0.127 4.193 4.320 0.000 0.000 0.216 193 A C 2.117 179.730 177.584 0.049 0.000 1.176 193 A CA 1.565 53.648 52.037 0.076 0.000 0.628 193 A CB -0.384 18.643 19.000 0.045 0.000 0.816 193 A HN 0.130 nan 8.150 nan 0.000 0.444 194 E N -0.548 119.661 120.200 0.014 0.000 2.031 194 E HA -0.204 4.146 4.350 0.000 0.000 0.193 194 E C 1.663 178.169 176.600 -0.156 0.000 0.994 194 E CA 1.665 58.002 56.400 -0.105 0.000 0.800 194 E CB -0.493 29.104 29.700 -0.173 0.000 0.752 194 E HN 0.710 nan 8.360 nan 0.000 0.447 195 W N 0.782 122.045 121.300 -0.062 0.000 2.338 195 W HA -0.137 4.523 4.660 0.000 0.000 0.304 195 W C 2.225 178.738 176.519 -0.010 0.000 1.212 195 W CA 1.288 58.560 57.345 -0.121 0.000 1.264 195 W CB -0.468 28.970 29.460 -0.037 0.000 1.142 195 W HN 0.259 nan 8.180 nan 0.000 0.512 196 D N -0.005 120.567 120.400 0.288 0.000 2.104 196 D HA -0.229 4.411 4.640 0.000 0.000 0.194 196 D C 2.150 178.521 176.300 0.119 0.000 0.994 196 D CA 1.639 55.771 54.000 0.220 0.000 0.830 196 D CB -0.219 40.670 40.800 0.148 0.000 0.959 196 D HN -0.035 nan 8.370 nan 0.000 0.452 197 R N -0.384 120.138 120.500 0.036 0.000 2.083 197 R HA -0.105 4.235 4.340 0.000 0.000 0.237 197 R C 2.468 178.724 176.300 -0.073 0.000 1.137 197 R CA 1.274 57.358 56.100 -0.027 0.000 0.951 197 R CB -0.311 29.952 30.300 -0.061 0.000 0.851 197 R HN 0.270 nan 8.270 nan 0.000 0.434 198 L N -0.682 120.460 121.223 -0.135 0.000 2.027 198 L HA -0.186 4.154 4.340 0.000 0.000 0.206 198 L C 2.383 179.174 176.870 -0.132 0.000 1.074 198 L CA 1.192 55.897 54.840 -0.225 0.000 0.745 198 L CB -0.669 41.143 42.059 -0.412 0.000 0.898 198 L HN 0.203 nan 8.230 nan 0.000 0.433 199 Y N 0.546 120.848 120.300 0.004 0.000 2.165 199 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 199 Y C 2.897 178.777 175.900 -0.034 0.000 1.155 199 Y CA 1.614 59.722 58.100 0.014 0.000 1.164 199 Y CB -1.266 37.235 38.460 0.068 0.000 0.978 199 Y HN 0.161 nan 8.280 nan 0.000 0.513 200 T N -0.274 114.354 114.554 0.124 0.000 2.720 200 T HA -0.236 4.114 4.350 0.000 0.000 0.268 200 T C 1.995 176.661 174.700 -0.056 0.000 1.037 200 T CA 1.787 63.908 62.100 0.036 0.000 1.144 200 T CB -0.198 68.682 68.868 0.020 0.000 0.864 200 T HN 0.250 nan 8.240 nan 0.000 0.444 201 K N 0.857 121.165 120.400 -0.152 0.000 2.026 201 K HA -0.017 4.303 4.320 0.000 0.000 0.208 201 K C 2.581 178.866 176.600 -0.524 0.000 1.048 201 K CA 1.170 57.236 56.287 -0.368 0.000 0.929 201 K CB -0.345 31.891 32.500 -0.439 0.000 0.713 201 K HN 0.265 nan 8.250 nan 0.000 0.439 202 A N 1.383 124.002 122.820 -0.335 0.000 1.908 202 A HA -0.236 4.084 4.320 0.000 0.000 0.218 202 A C 1.840 179.428 177.584 0.007 0.000 1.181 202 A CA 1.957 53.873 52.037 -0.201 0.000 0.627 202 A CB -0.554 18.443 19.000 -0.006 0.000 0.818 202 A HN 0.496 nan 8.150 nan 0.000 0.445 203 E N -0.692 119.552 120.200 0.073 0.000 2.110 203 E HA -0.133 4.217 4.350 0.000 0.000 0.193 203 E C 2.266 178.947 176.600 0.135 0.000 0.988 203 E CA 1.080 57.569 56.400 0.149 0.000 0.804 203 E CB -0.171 29.592 29.700 0.105 0.000 0.745 203 E HN 0.608 nan 8.360 nan 0.000 0.458 204 S N -0.256 115.469 115.700 0.043 0.000 2.356 204 S HA -0.179 4.291 4.470 0.000 0.000 0.223 204 S C 1.830 176.563 174.600 0.222 0.000 1.032 204 S CA 1.012 59.262 58.200 0.083 0.000 1.005 204 S CB -0.233 62.977 63.200 0.016 0.000 0.867 204 S HN 0.271 nan 8.310 nan 0.000 0.449 205 Y N 0.202 120.511 120.300 0.015 0.000 2.165 205 Y HA 0.008 4.558 4.550 -0.000 0.000 0.286 205 Y C 2.075 178.006 175.900 0.053 0.000 1.155 205 Y CA 0.364 58.441 58.100 -0.038 0.000 1.164 205 Y CB -1.075 37.272 38.460 -0.188 0.000 0.978 205 Y HN 0.335 nan 8.280 nan 0.000 0.513 206 F N 0.185 120.292 119.950 0.262 0.000 2.710 206 F HA 0.034 4.561 4.527 0.000 0.000 0.298 206 F C 0.824 176.739 175.800 0.192 0.000 1.137 206 F CA 0.164 58.308 58.000 0.240 0.000 1.444 206 F CB -0.353 38.809 39.000 0.270 0.000 1.111 206 F HN -0.006 nan 8.300 nan 0.000 0.580 207 Q N 0.576 120.576 119.800 0.333 0.000 2.463 207 Q HA -0.194 4.146 4.340 0.000 0.000 0.299 207 Q C 0.061 176.157 176.000 0.160 0.000 1.353 207 Q CA 0.719 56.642 55.803 0.199 0.000 0.828 207 Q CB -2.609 26.220 28.738 0.152 0.000 1.157 207 Q HN 0.204 nan 8.270 nan 0.000 0.436 208 T N -0.050 114.612 114.554 0.180 0.000 2.916 208 T HA 0.474 4.824 4.350 0.000 0.000 0.303 208 T C 0.759 175.496 174.700 0.061 0.000 1.025 208 T CA 0.538 62.706 62.100 0.113 0.000 1.142 208 T CB 1.315 70.261 68.868 0.130 0.000 0.947 208 T HN 0.480 nan 8.240 nan 0.000 0.544 209 G N 0.652 109.471 108.800 0.031 0.000 2.695 209 G HA2 0.549 4.510 3.960 0.000 0.000 0.290 209 G HA3 0.549 4.510 3.960 0.000 0.000 0.290 209 G C 0.073 174.984 174.900 0.018 0.000 1.410 209 G CA -0.708 44.401 45.100 0.016 0.000 0.844 209 G HN 0.622 nan 8.290 nan 0.000 0.478 210 T N -2.246 112.320 114.554 0.019 0.000 3.296 210 T HA 0.281 4.631 4.350 0.000 0.000 0.285 210 T C 0.067 174.785 174.700 0.029 0.000 1.014 210 T CA 0.345 62.464 62.100 0.032 0.000 0.920 210 T CB 0.350 69.241 68.868 0.039 0.000 1.143 210 T HN 0.497 nan 8.240 nan 0.000 0.522 211 D N 0.018 120.419 120.400 0.002 0.000 2.520 211 D HA 0.066 4.706 4.640 0.000 0.000 0.223 211 D C 1.287 177.531 176.300 -0.093 0.000 1.186 211 D CA -0.124 53.858 54.000 -0.030 0.000 0.821 211 D CB -0.108 40.670 40.800 -0.037 0.000 1.072 211 D HN 0.244 nan 8.370 nan 0.000 0.518 212 Q N -0.407 119.337 119.800 -0.093 0.000 2.364 212 Q HA 0.137 4.477 4.340 0.000 0.000 0.207 212 Q C 0.259 175.893 176.000 -0.611 0.000 0.970 212 Q CA 0.965 56.583 55.803 -0.308 0.000 0.888 212 Q CB -0.279 28.264 28.738 -0.326 0.000 0.951 212 Q HN 0.306 nan 8.270 nan 0.000 0.469 213 F N -0.115 119.671 119.950 -0.273 0.000 2.698 213 F HA 0.230 4.757 4.527 0.000 0.000 0.304 213 F C 1.176 176.787 175.800 -0.314 0.000 1.108 213 F CA -0.569 57.230 58.000 -0.336 0.000 1.263 213 F CB 0.352 39.056 39.000 -0.493 0.000 1.013 213 F HN -0.008 nan 8.300 nan 0.000 0.532 214 K N 0.361 120.674 120.400 -0.145 0.000 2.211 214 K HA -0.123 4.197 4.320 0.000 0.000 0.204 214 K C 0.501 176.976 176.600 -0.208 0.000 1.047 214 K CA 1.649 57.888 56.287 -0.081 0.000 0.935 214 K CB -0.141 32.299 32.500 -0.101 0.000 0.728 214 K HN 0.336 nan 8.250 nan 0.000 0.452 215 E N 1.617 121.570 120.200 -0.411 0.000 2.736 215 E HA 0.070 4.420 4.350 0.000 0.000 0.208 215 E C -0.906 175.430 176.600 -0.439 0.000 0.996 215 E CA -0.266 55.594 56.400 -0.900 0.000 1.104 215 E CB 1.119 30.157 29.700 -1.103 0.000 1.111 215 E HN 0.188 nan 8.360 nan 0.000 0.455 216 S N 0.715 116.371 115.700 -0.075 0.000 2.523 216 S HA 0.212 4.681 4.470 0.000 0.000 0.275 216 S C 1.271 175.977 174.600 0.176 0.000 1.281 216 S CA -0.465 57.782 58.200 0.078 0.000 1.050 216 S CB 0.529 63.848 63.200 0.198 0.000 0.937 216 S HN 0.244 nan 8.310 nan 0.000 0.492 217 I N 4.846 125.409 120.570 -0.012 0.000 2.179 217 I HA -0.165 4.005 4.170 0.000 0.000 0.242 217 I C 2.715 178.631 176.117 -0.334 0.000 1.088 217 I CA 1.147 62.159 61.300 -0.481 0.000 1.357 217 I CB -0.237 37.255 38.000 -0.846 0.000 1.051 217 I HN 0.710 nan 8.210 nan 0.000 0.409 218 R N -0.411 119.994 120.500 -0.158 0.000 2.083 218 R HA -0.246 4.094 4.340 0.000 0.000 0.237 218 R C 2.379 178.696 176.300 0.030 0.000 1.137 218 R CA 1.908 57.969 56.100 -0.065 0.000 0.951 218 R CB -0.775 29.506 30.300 -0.032 0.000 0.851 218 R HN 0.427 nan 8.270 nan 0.000 0.434 219 H N 1.277 120.364 119.070 0.030 0.000 2.289 219 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 219 H C 1.803 177.202 175.328 0.119 0.000 1.091 219 H CA 2.076 58.165 56.048 0.069 0.000 1.274 219 H CB -0.170 29.668 29.762 0.128 0.000 1.364 219 H HN 0.155 nan 8.280 nan 0.000 0.490 220 N N 0.063 118.864 118.700 0.168 0.000 2.166 220 N HA -0.140 4.600 4.740 0.000 0.000 0.186 220 N C 2.090 177.749 175.510 0.249 0.000 1.019 220 N CA 1.126 54.326 53.050 0.250 0.000 0.856 220 N CB -0.298 38.561 38.487 0.619 0.000 0.993 220 N HN 0.311 nan 8.380 nan 0.000 0.426 221 L N 1.426 122.803 121.223 0.257 0.000 2.013 221 L HA -0.148 4.192 4.340 0.000 0.000 0.212 221 L C 2.162 179.089 176.870 0.096 0.000 1.073 221 L CA 1.456 56.450 54.840 0.258 0.000 0.753 221 L CB -0.555 41.589 42.059 0.141 0.000 0.890 221 L HN -0.110 nan 8.230 nan 0.000 0.432 222 V N -0.919 118.998 119.914 0.006 0.000 2.323 222 V HA -0.227 3.893 4.120 0.000 0.000 0.244 222 V C 2.416 178.438 176.094 -0.121 0.000 1.041 222 V CA 1.496 63.766 62.300 -0.049 0.000 1.025 222 V CB -0.612 31.156 31.823 -0.091 0.000 0.656 222 V HN 0.500 nan 8.190 nan 0.000 0.451 223 L N 1.167 122.278 121.223 -0.186 0.000 1.990 223 L HA -0.222 4.118 4.340 0.000 0.000 0.213 223 L C 2.204 179.013 176.870 -0.103 0.000 1.072 223 L CA 2.215 56.941 54.840 -0.190 0.000 0.755 223 L CB -0.943 40.956 42.059 -0.266 0.000 0.889 223 L HN 0.340 nan 8.230 nan 0.000 0.432 224 N N -0.389 118.301 118.700 -0.018 0.000 2.188 224 N HA -0.184 4.556 4.740 0.000 0.000 0.184 224 N C 1.815 177.315 175.510 -0.017 0.000 1.018 224 N CA 1.185 54.243 53.050 0.013 0.000 0.858 224 N CB -0.322 38.201 38.487 0.060 0.000 0.989 224 N HN 0.284 nan 8.380 nan 0.000 0.426 225 K N 1.498 121.886 120.400 -0.020 0.000 2.009 225 K HA 0.033 4.353 4.320 0.000 0.000 0.210 225 K C 1.924 178.482 176.600 -0.070 0.000 1.049 225 K CA 1.020 57.291 56.287 -0.026 0.000 0.929 225 K CB -0.505 31.997 32.500 0.004 0.000 0.714 225 K HN 0.123 nan 8.250 nan 0.000 0.440 226 L N -0.044 121.063 121.223 -0.194 0.000 2.093 226 L HA -0.142 4.198 4.340 0.000 0.000 0.208 226 L C 2.262 178.956 176.870 -0.293 0.000 1.085 226 L CA 1.578 56.185 54.840 -0.388 0.000 0.755 226 L CB -0.724 40.659 42.059 -1.127 0.000 0.904 226 L HN 0.256 nan 8.230 nan 0.000 0.435 227 T N -0.717 113.712 114.554 -0.208 0.000 2.720 227 T HA -0.255 4.095 4.350 0.000 0.000 0.268 227 T C 1.787 176.542 174.700 0.090 0.000 1.037 227 T CA 1.748 63.881 62.100 0.054 0.000 1.144 227 T CB -0.127 68.785 68.868 0.074 0.000 0.864 227 T HN 0.427 nan 8.240 nan 0.000 0.444 228 E N 0.702 120.918 120.200 0.028 0.000 2.047 228 E HA -0.186 4.164 4.350 0.000 0.000 0.191 228 E C 2.090 178.694 176.600 0.006 0.000 0.987 228 E CA 0.999 57.409 56.400 0.018 0.000 0.799 228 E CB -0.007 29.687 29.700 -0.010 0.000 0.752 228 E HN 0.362 nan 8.360 nan 0.000 0.449 229 E N -0.193 119.999 120.200 -0.012 0.000 2.110 229 E HA -0.175 4.175 4.350 0.000 0.000 0.193 229 E C 1.171 177.619 176.600 -0.254 0.000 0.988 229 E CA 1.045 57.364 56.400 -0.134 0.000 0.804 229 E CB -0.144 29.465 29.700 -0.153 0.000 0.745 229 E HN 0.489 nan 8.360 nan 0.000 0.458 230 Y N 0.458 120.793 120.300 0.059 0.000 2.571 230 Y HA 0.174 4.724 4.550 -0.000 0.000 0.275 230 Y C 0.711 176.678 175.900 0.112 0.000 1.179 230 Y CA -0.326 57.851 58.100 0.128 0.000 1.242 230 Y CB 0.267 38.905 38.460 0.297 0.000 1.126 230 Y HN -0.279 nan 8.280 nan 0.000 0.524 231 K N 0.717 121.209 120.400 0.154 0.000 2.491 231 K HA 0.084 4.404 4.320 0.000 0.000 0.279 231 K C 1.205 177.862 176.600 0.096 0.000 1.026 231 K CA 1.303 57.660 56.287 0.115 0.000 1.070 231 K CB 0.036 32.573 32.500 0.062 0.000 0.887 231 K HN 0.661 nan 8.250 nan 0.000 0.481 232 G N 3.280 112.140 108.800 0.099 0.000 2.184 232 G HA2 -0.318 3.642 3.960 0.000 0.000 0.264 232 G HA3 -0.318 3.642 3.960 0.000 0.000 0.264 232 G C 0.640 175.597 174.900 0.094 0.000 0.975 232 G CA 0.812 45.960 45.100 0.080 0.000 0.642 232 G HN 0.731 nan 8.290 nan 0.000 0.536 233 Q N -1.413 118.471 119.800 0.140 0.000 2.534 233 Q HA 0.320 4.660 4.340 0.000 0.000 0.252 233 Q C 1.188 177.286 176.000 0.164 0.000 0.850 233 Q CA 0.166 56.063 55.803 0.156 0.000 0.974 233 Q CB 0.953 29.807 28.738 0.193 0.000 1.205 233 Q HN 0.452 nan 8.270 nan 0.000 0.593 234 R N 0.477 121.092 120.500 0.192 0.000 2.740 234 R HA 0.375 4.715 4.340 0.000 0.000 0.273 234 R C -1.600 174.741 176.300 0.067 0.000 0.998 234 R CA -0.695 55.437 56.100 0.053 0.000 0.900 234 R CB 1.783 31.945 30.300 -0.230 0.000 1.223 234 R HN -0.016 nan 8.270 nan 0.000 0.466 235 D N 1.572 121.934 120.400 -0.063 0.000 2.168 235 D HA 0.352 4.992 4.640 0.000 0.000 0.246 235 D C -0.765 175.401 176.300 -0.223 0.000 1.050 235 D CA 0.068 54.060 54.000 -0.012 0.000 0.857 235 D CB 1.341 42.143 40.800 0.004 0.000 1.169 235 D HN 0.137 nan 8.370 nan 0.000 0.453 236 F N 1.003 120.960 119.950 0.011 0.000 2.522 236 F HA 0.351 4.878 4.527 -0.000 0.000 0.324 236 F C 0.787 176.602 175.800 0.025 0.000 1.077 236 F CA -0.531 57.467 58.000 -0.003 0.000 0.944 236 F CB 1.789 40.780 39.000 -0.015 0.000 1.175 236 F HN 0.235 nan 8.300 nan 0.000 0.468 237 Q N 0.090 120.004 119.800 0.191 0.000 2.854 237 Q HA 0.342 4.682 4.340 0.000 0.000 0.331 237 Q C -1.568 174.547 176.000 0.192 0.000 0.859 237 Q CA -1.294 54.609 55.803 0.166 0.000 0.787 237 Q CB 1.592 30.391 28.738 0.102 0.000 1.410 237 Q HN 0.600 nan 8.270 nan 0.000 0.510 238 Q N 0.922 120.847 119.800 0.208 0.000 2.332 238 Q HA 0.277 4.617 4.340 0.000 0.000 0.263 238 Q C -0.497 175.560 176.000 0.095 0.000 0.979 238 Q CA -0.314 55.610 55.803 0.202 0.000 0.885 238 Q CB 0.555 29.368 28.738 0.125 0.000 1.218 238 Q HN 0.557 nan 8.270 nan 0.000 0.405 239 I N 6.746 127.348 120.570 0.053 0.000 2.906 239 I HA -0.107 4.063 4.170 0.000 0.000 0.301 239 I C -1.955 174.170 176.117 0.012 0.000 1.221 239 I CA -1.093 60.217 61.300 0.017 0.000 1.435 239 I CB -0.043 37.932 38.000 -0.041 0.000 1.345 239 I HN 0.440 nan 8.210 nan 0.000 0.558 240 P HA 0.212 nan 4.420 nan 0.000 0.271 240 P C -0.858 176.432 177.300 -0.016 0.000 1.233 240 P CA 0.175 63.275 63.100 -0.000 0.000 0.764 240 P CB 0.445 32.135 31.700 -0.017 0.000 0.825 241 L N 2.450 123.675 121.223 0.003 0.000 2.362 241 L HA 0.607 4.947 4.340 0.000 0.000 0.275 241 L C 0.432 177.295 176.870 -0.012 0.000 0.998 241 L CA -1.169 53.671 54.840 -0.001 0.000 0.820 241 L CB 2.037 44.164 42.059 0.114 0.000 1.270 241 L HN 0.247 nan 8.230 nan 0.000 0.415 242 A N 3.262 126.033 122.820 -0.081 0.000 2.805 242 A HA 0.718 5.038 4.320 0.000 0.000 0.301 242 A C 0.108 177.712 177.584 0.032 0.000 1.557 242 A CA 0.142 52.172 52.037 -0.013 0.000 1.254 242 A CB -0.478 18.441 19.000 -0.135 0.000 1.114 242 A HN 0.783 nan 8.150 nan 0.000 0.553 243 A N 1.768 124.575 122.820 -0.022 0.000 2.594 243 A HA 0.719 5.039 4.320 0.000 0.000 0.296 243 A C -0.488 176.977 177.584 -0.198 0.000 1.056 243 A CA -0.459 51.458 52.037 -0.201 0.000 0.693 243 A CB 0.809 19.502 19.000 -0.512 0.000 1.278 243 A HN 0.585 nan 8.150 nan 0.000 0.408 244 T N 1.625 116.034 114.554 -0.242 0.000 2.847 244 T HA 0.463 4.813 4.350 0.000 0.000 0.291 244 T C -0.023 174.532 174.700 -0.243 0.000 0.998 244 T CA -0.394 61.599 62.100 -0.179 0.000 0.967 244 T CB 1.003 69.823 68.868 -0.079 0.000 0.954 244 T HN 0.728 nan 8.240 nan 0.000 0.441 245 R N 2.469 122.812 120.500 -0.262 0.000 2.442 245 R HA 0.252 4.592 4.340 0.000 0.000 0.291 245 R C 0.769 176.991 176.300 -0.131 0.000 1.069 245 R CA -0.359 55.582 56.100 -0.266 0.000 1.022 245 R CB 0.405 30.512 30.300 -0.321 0.000 0.976 245 R HN 0.378 nan 8.270 nan 0.000 0.443 246 R N 1.132 121.608 120.500 -0.040 0.000 2.225 246 R HA 0.137 4.477 4.340 0.000 0.000 0.194 246 R C 0.152 176.437 176.300 -0.026 0.000 0.957 246 R CA 0.719 56.819 56.100 0.000 0.000 1.042 246 R CB 0.288 30.636 30.300 0.080 0.000 1.004 246 R HN 0.781 nan 8.270 nan 0.000 0.509 247 S N -1.603 114.089 115.700 -0.014 0.000 2.636 247 S HA 0.346 4.816 4.470 0.000 0.000 0.268 247 S C -2.659 171.909 174.600 -0.052 0.000 1.159 247 S CA -1.017 57.165 58.200 -0.030 0.000 0.815 247 S CB 1.978 65.176 63.200 -0.004 0.000 1.130 247 S HN -0.254 nan 8.310 nan 0.000 0.471 248 P HA 0.016 nan 4.420 nan 0.000 0.223 248 P C 0.928 178.199 177.300 -0.049 0.000 1.144 248 P CA 1.722 64.778 63.100 -0.074 0.000 0.783 248 P CB -0.175 31.499 31.700 -0.042 0.000 0.771 249 T N -6.799 107.761 114.554 0.009 0.000 3.145 249 T HA 0.295 4.646 4.350 0.000 0.000 0.281 249 T C -0.245 174.520 174.700 0.108 0.000 1.003 249 T CA -0.336 61.792 62.100 0.047 0.000 0.901 249 T CB -0.529 68.385 68.868 0.078 0.000 1.112 249 T HN -0.120 nan 8.240 nan 0.000 0.535 250 F N 1.735 121.625 119.950 -0.100 0.000 2.617 250 F HA 0.636 5.163 4.527 0.000 0.000 0.325 250 F C -1.416 174.258 175.800 -0.210 0.000 1.179 250 F CA -1.113 56.824 58.000 -0.106 0.000 0.965 250 F CB 1.803 40.757 39.000 -0.076 0.000 1.232 250 F HN -0.113 nan 8.300 nan 0.000 0.461 251 V N 5.069 124.618 119.914 -0.608 0.000 2.435 251 V HA 0.298 4.418 4.120 0.000 0.000 0.290 251 V C -0.325 175.229 176.094 -0.901 0.000 1.030 251 V CA -0.794 61.057 62.300 -0.749 0.000 0.881 251 V CB 1.687 32.853 31.823 -1.095 0.000 0.983 251 V HN 0.713 nan 8.190 nan 0.000 0.445 252 E N 4.337 124.253 120.200 -0.474 0.000 2.044 252 E HA 0.201 4.551 4.350 0.000 0.000 0.282 252 E C -1.140 175.256 176.600 -0.339 0.000 1.031 252 E CA -0.556 55.710 56.400 -0.224 0.000 0.824 252 E CB 0.478 30.229 29.700 0.085 0.000 1.076 252 E HN 0.621 nan 8.360 nan 0.000 0.395 253 W N 3.178 124.375 121.300 -0.172 0.000 2.238 253 W HA 0.163 4.823 4.660 0.000 0.000 0.321 253 W C 0.551 177.101 176.519 0.052 0.000 1.293 253 W CA -0.554 56.676 57.345 -0.192 0.000 1.204 253 W CB 0.941 30.047 29.460 -0.591 0.000 1.167 253 W HN 0.346 nan 8.180 nan 0.000 0.553 254 S N 1.671 117.581 115.700 0.349 0.000 2.624 254 S HA 0.628 5.098 4.470 0.000 0.000 0.263 254 S C 0.140 175.173 174.600 0.721 0.000 1.287 254 S CA -0.567 57.907 58.200 0.457 0.000 0.990 254 S CB 1.107 64.576 63.200 0.448 0.000 0.950 254 S HN 0.520 nan 8.310 nan 0.000 0.561 255 S N -0.598 115.469 115.700 0.612 0.000 2.724 255 S HA 0.668 5.138 4.470 0.000 0.000 0.278 255 S C 0.753 175.552 174.600 0.332 0.000 1.190 255 S CA -0.360 58.123 58.200 0.471 0.000 0.860 255 S CB 0.511 63.911 63.200 0.334 0.000 1.206 255 S HN 0.742 nan 8.310 nan 0.000 0.507 256 A N 1.526 124.433 122.820 0.146 0.000 1.958 256 A HA -0.196 4.124 4.320 0.000 0.000 0.221 256 A C 1.981 179.615 177.584 0.083 0.000 1.178 256 A CA 2.185 54.269 52.037 0.078 0.000 0.642 256 A CB -1.480 17.534 19.000 0.024 0.000 0.816 256 A HN 0.850 nan 8.150 nan 0.000 0.453 257 N N -0.583 118.175 118.700 0.097 0.000 2.166 257 N HA -0.146 4.594 4.740 0.000 0.000 0.186 257 N C 1.524 177.062 175.510 0.047 0.000 1.019 257 N CA 1.976 55.056 53.050 0.050 0.000 0.856 257 N CB -0.226 38.303 38.487 0.070 0.000 0.993 257 N HN 0.465 nan 8.380 nan 0.000 0.426 258 T N 0.495 115.128 114.554 0.132 0.000 2.788 258 T HA -0.062 4.288 4.350 0.000 0.000 0.268 258 T C 2.059 176.798 174.700 0.066 0.000 1.044 258 T CA 1.130 63.313 62.100 0.138 0.000 1.139 258 T CB -0.195 68.838 68.868 0.274 0.000 0.867 258 T HN 0.056 nan 8.240 nan 0.000 0.454 259 V N -0.501 119.435 119.914 0.037 0.000 2.379 259 V HA 0.169 4.289 4.120 0.000 0.000 0.245 259 V C 0.455 176.501 176.094 -0.080 0.000 1.044 259 V CA 0.926 63.164 62.300 -0.104 0.000 1.036 259 V CB -0.371 31.346 31.823 -0.176 0.000 0.664 259 V HN 0.504 nan 8.190 nan 0.000 0.453 260 F N 0.953 120.776 119.950 -0.212 0.000 2.670 260 F HA 0.348 4.875 4.527 -0.000 0.000 0.332 260 F C 0.173 175.850 175.800 -0.205 0.000 1.179 260 F CA -1.595 56.247 58.000 -0.263 0.000 1.076 260 F CB 1.210 40.003 39.000 -0.346 0.000 1.322 260 F HN 0.152 nan 8.300 nan 0.000 0.515 261 D N 5.141 125.093 120.400 -0.747 0.000 2.378 261 D HA -0.071 4.569 4.640 0.000 0.000 0.222 261 D C 1.248 177.263 176.300 -0.475 0.000 0.980 261 D CA 1.234 54.943 54.000 -0.485 0.000 0.907 261 D CB -0.035 40.543 40.800 -0.370 0.000 0.899 261 D HN 0.708 nan 8.370 nan 0.000 0.527 262 L N -2.242 118.515 121.223 -0.777 0.000 4.884 262 L HA -0.252 4.088 4.340 0.000 0.000 0.430 262 L C -0.106 176.728 176.870 -0.060 0.000 1.087 262 L CA 0.552 55.231 54.840 -0.269 0.000 1.033 262 L CB -1.383 40.681 42.059 0.009 0.000 2.030 262 L HN 0.242 nan 8.230 nan 0.000 0.762 263 Q N 0.953 120.611 119.800 -0.236 0.000 2.352 263 Q HA 0.219 4.559 4.340 0.000 0.000 0.260 263 Q C 0.382 176.442 176.000 0.101 0.000 0.976 263 Q CA -0.107 55.655 55.803 -0.069 0.000 0.881 263 Q CB 0.600 29.262 28.738 -0.126 0.000 1.235 263 Q HN 0.128 nan 8.270 nan 0.000 0.419 264 N N 1.867 120.629 118.700 0.104 0.000 2.454 264 N HA 0.069 4.809 4.740 0.000 0.000 0.254 264 N C -0.344 175.237 175.510 0.119 0.000 1.228 264 N CA 0.444 53.568 53.050 0.122 0.000 0.900 264 N CB 0.550 39.009 38.487 -0.046 0.000 1.089 264 N HN 0.245 nan 8.380 nan 0.000 0.449 265 R N 1.399 121.999 120.500 0.167 0.000 2.686 265 R HA 0.474 4.814 4.340 0.000 0.000 0.283 265 R C -2.440 173.916 176.300 0.093 0.000 0.978 265 R CA -1.583 54.597 56.100 0.133 0.000 0.897 265 R CB 2.151 32.558 30.300 0.179 0.000 1.192 265 R HN 0.399 nan 8.270 nan 0.000 0.457 266 P HA 0.138 nan 4.420 nan 0.000 0.274 266 P C -1.367 175.984 177.300 0.085 0.000 1.231 266 P CA -0.326 62.855 63.100 0.134 0.000 0.790 266 P CB 0.796 32.632 31.700 0.227 0.000 0.951 267 N N -1.384 117.355 118.700 0.066 0.000 3.039 267 N HA 0.220 4.960 4.740 0.000 0.000 0.257 267 N C 0.598 176.122 175.510 0.025 0.000 1.497 267 N CA -0.736 52.334 53.050 0.034 0.000 0.861 267 N CB -0.594 37.901 38.487 0.013 0.000 1.479 267 N HN 0.066 nan 8.380 nan 0.000 0.547 268 T N -0.696 113.864 114.554 0.010 0.000 2.699 268 T HA -0.148 4.202 4.350 0.000 0.000 0.268 268 T C 0.368 175.069 174.700 0.001 0.000 1.036 268 T CA 1.893 63.996 62.100 0.004 0.000 1.147 268 T CB -0.501 68.365 68.868 -0.003 0.000 0.862 268 T HN 0.571 nan 8.240 nan 0.000 0.446 269 D N 1.101 121.497 120.400 -0.006 0.000 2.323 269 D HA 0.220 4.860 4.640 0.000 0.000 0.209 269 D C 0.791 177.090 176.300 -0.001 0.000 0.973 269 D CA 0.436 54.430 54.000 -0.011 0.000 0.874 269 D CB 0.191 40.974 40.800 -0.028 0.000 0.930 269 D HN 0.412 nan 8.370 nan 0.000 0.521 270 A N 1.623 124.451 122.820 0.013 0.000 3.266 270 A HA 0.314 4.634 4.320 0.000 0.000 0.310 270 A C -1.973 175.653 177.584 0.071 0.000 1.066 270 A CA -0.885 51.174 52.037 0.037 0.000 0.839 270 A CB 1.073 20.095 19.000 0.036 0.000 1.192 270 A HN -0.178 nan 8.150 nan 0.000 0.496 271 P HA -0.083 nan 4.420 nan 0.000 0.226 271 P C 0.531 177.921 177.300 0.149 0.000 1.153 271 P CA 1.083 64.230 63.100 0.079 0.000 0.777 271 P CB 0.516 32.232 31.700 0.027 0.000 0.794 272 E N -0.150 120.149 120.200 0.165 0.000 2.481 272 E HA 0.125 4.475 4.350 0.000 0.000 0.198 272 E C 0.275 177.098 176.600 0.372 0.000 1.027 272 E CA 0.133 56.695 56.400 0.271 0.000 0.900 272 E CB 0.538 30.316 29.700 0.129 0.000 0.993 272 E HN 0.495 nan 8.360 nan 0.000 0.482 273 E N 0.664 121.012 120.200 0.247 0.000 2.227 273 E HA 0.434 4.784 4.350 0.000 0.000 0.268 273 E C -0.287 176.363 176.600 0.082 0.000 0.990 273 E CA -0.533 55.955 56.400 0.147 0.000 0.856 273 E CB 1.584 31.360 29.700 0.128 0.000 1.159 273 E HN -0.179 nan 8.360 nan 0.000 0.401 274 R N 1.923 122.436 120.500 0.022 0.000 2.473 274 R HA 0.432 4.772 4.340 0.000 0.000 0.303 274 R C -1.601 174.780 176.300 0.136 0.000 1.002 274 R CA -0.527 55.550 56.100 -0.040 0.000 0.884 274 R CB 0.972 31.116 30.300 -0.260 0.000 1.173 274 R HN 0.401 nan 8.270 nan 0.000 0.464 275 F N 2.221 122.154 119.950 -0.029 0.000 2.622 275 F HA 0.423 4.950 4.527 -0.000 0.000 0.318 275 F C -1.795 173.945 175.800 -0.100 0.000 1.135 275 F CA -0.618 57.363 58.000 -0.031 0.000 1.015 275 F CB 1.939 40.992 39.000 0.088 0.000 1.275 275 F HN 0.389 nan 8.300 nan 0.000 0.457 276 N N 4.556 122.605 118.700 -1.087 0.000 2.296 276 N HA 0.612 5.352 4.740 0.000 0.000 0.294 276 N C -2.036 172.447 175.510 -1.712 0.000 1.033 276 N CA -0.655 51.675 53.050 -1.199 0.000 0.839 276 N CB 2.390 40.334 38.487 -0.905 0.000 1.395 276 N HN 0.600 nan 8.380 nan 0.000 0.479 277 L N 2.496 122.951 121.223 -1.280 0.000 2.295 277 L HA 0.637 4.977 4.340 0.000 0.000 0.285 277 L C -1.642 174.696 176.870 -0.887 0.000 1.035 277 L CA -0.252 54.078 54.840 -0.850 0.000 0.806 277 L CB 0.182 42.100 42.059 -0.236 0.000 1.214 277 L HN 0.471 nan 8.230 nan 0.000 0.426 278 F N 6.341 126.053 119.950 -0.397 0.000 2.443 278 F HA 0.529 5.056 4.527 -0.000 0.000 0.369 278 F C -2.117 173.653 175.800 -0.051 0.000 1.090 278 F CA -2.044 55.830 58.000 -0.210 0.000 1.129 278 F CB 0.686 39.551 39.000 -0.225 0.000 1.367 278 F HN 0.415 nan 8.300 nan 0.000 0.465 279 P HA 0.264 nan 4.420 nan 0.000 0.274 279 P C 0.123 177.490 177.300 0.111 0.000 1.256 279 P CA -0.075 63.077 63.100 0.087 0.000 0.795 279 P CB 0.945 32.674 31.700 0.049 0.000 1.038 280 A N -1.093 121.774 122.820 0.077 0.000 2.822 280 A HA -0.115 4.205 4.320 0.000 0.000 0.287 280 A C -0.008 177.609 177.584 0.056 0.000 1.479 280 A CA 0.774 52.847 52.037 0.060 0.000 0.779 280 A CB -2.424 16.610 19.000 0.057 0.000 1.022 280 A HN 0.262 nan 8.150 nan 0.000 0.532 281 V N -0.134 119.829 119.914 0.082 0.000 2.376 281 V HA 0.648 4.768 4.120 0.000 0.000 0.287 281 V C 0.660 176.759 176.094 0.009 0.000 1.015 281 V CA -0.320 62.024 62.300 0.073 0.000 0.834 281 V CB 1.448 33.400 31.823 0.214 0.000 1.001 281 V HN 1.439 nan 8.190 nan 0.000 0.428 282 A N 4.372 127.171 122.820 -0.036 0.000 2.396 282 A HA 0.373 4.693 4.320 0.000 0.000 0.279 282 A C 0.210 177.768 177.584 -0.042 0.000 1.165 282 A CA -0.103 51.903 52.037 -0.053 0.000 0.824 282 A CB -0.248 18.759 19.000 0.011 0.000 1.100 282 A HN 0.865 nan 8.150 nan 0.000 0.516 283 C N 3.138 122.390 119.300 -0.080 0.000 2.394 283 C HA 0.324 4.784 4.460 0.000 0.000 0.362 283 C C 1.375 176.328 174.990 -0.061 0.000 1.268 283 C CA -0.241 58.720 59.018 -0.096 0.000 1.828 283 C CB -0.538 27.141 27.740 -0.100 0.000 2.442 283 C HN 1.017 nan 8.230 nan 0.000 0.549 284 E N 1.206 121.385 120.200 -0.035 0.000 2.256 284 E HA 0.098 4.448 4.350 0.000 0.000 0.198 284 E C 0.340 176.915 176.600 -0.042 0.000 0.908 284 E CA 0.334 56.722 56.400 -0.019 0.000 0.915 284 E CB 0.472 30.183 29.700 0.018 0.000 0.890 284 E HN 0.762 nan 8.360 nan 0.000 0.484 285 R N 0.084 120.557 120.500 -0.044 0.000 2.664 285 R HA 0.425 4.765 4.340 0.000 0.000 0.266 285 R C -0.822 175.406 176.300 -0.120 0.000 1.046 285 R CA -0.835 55.212 56.100 -0.089 0.000 0.885 285 R CB 1.069 31.300 30.300 -0.114 0.000 1.254 285 R HN -0.080 nan 8.270 nan 0.000 0.465 286 V N -0.603 119.228 119.914 -0.138 0.000 2.539 286 V HA 0.645 4.765 4.120 0.000 0.000 0.292 286 V C 0.045 176.008 176.094 -0.218 0.000 1.045 286 V CA -0.836 61.345 62.300 -0.198 0.000 0.945 286 V CB 1.668 33.353 31.823 -0.229 0.000 0.993 286 V HN 0.510 nan 8.190 nan 0.000 0.464 287 V N 5.234 124.990 119.914 -0.263 0.000 2.407 287 V HA 0.488 4.608 4.120 0.000 0.000 0.278 287 V C 0.523 176.539 176.094 -0.129 0.000 1.037 287 V CA -0.487 61.677 62.300 -0.227 0.000 0.900 287 V CB 1.027 32.697 31.823 -0.256 0.000 0.983 287 V HN 0.938 nan 8.190 nan 0.000 0.459 288 R N 3.553 124.006 120.500 -0.077 0.000 2.404 288 R HA 0.348 4.688 4.340 0.000 0.000 0.291 288 R C 0.175 176.491 176.300 0.027 0.000 1.025 288 R CA -0.653 55.476 56.100 0.049 0.000 0.991 288 R CB 0.899 31.212 30.300 0.021 0.000 1.053 288 R HN 0.885 nan 8.270 nan 0.000 0.479 289 N N 1.618 120.353 118.700 0.058 0.000 2.326 289 N HA -0.014 4.726 4.740 0.000 0.000 0.239 289 N C 0.689 176.191 175.510 -0.012 0.000 1.301 289 N CA 0.227 53.284 53.050 0.013 0.000 0.909 289 N CB 0.454 38.947 38.487 0.011 0.000 1.156 289 N HN 0.569 nan 8.380 nan 0.000 0.462 290 A N 0.562 123.370 122.820 -0.020 0.000 1.948 290 A HA -0.112 4.208 4.320 0.000 0.000 0.220 290 A C 2.051 179.609 177.584 -0.044 0.000 1.177 290 A CA 1.271 53.290 52.037 -0.029 0.000 0.636 290 A CB -0.883 18.103 19.000 -0.023 0.000 0.815 290 A HN 0.657 nan 8.150 nan 0.000 0.449 291 L N -0.678 120.510 121.223 -0.059 0.000 2.591 291 L HA 0.054 4.394 4.340 0.000 0.000 0.228 291 L C -0.082 176.697 176.870 -0.152 0.000 1.133 291 L CA -0.187 54.602 54.840 -0.085 0.000 0.880 291 L CB -0.469 41.544 42.059 -0.077 0.000 1.033 291 L HN 0.364 nan 8.230 nan 0.000 0.450 292 N N 0.494 119.088 118.700 -0.177 0.000 2.714 292 N HA -0.187 4.553 4.740 0.000 0.000 0.253 292 N C 0.875 175.818 175.510 -0.945 0.000 1.024 292 N CA 1.076 53.897 53.050 -0.383 0.000 0.726 292 N CB -1.074 37.337 38.487 -0.126 0.000 0.908 292 N HN 0.573 nan 8.380 nan 0.000 0.542 293 S N -1.965 113.293 115.700 -0.735 0.000 2.687 293 S HA 0.178 4.648 4.470 0.000 0.000 0.247 293 S C 0.271 174.611 174.600 -0.432 0.000 1.050 293 S CA -0.192 57.634 58.200 -0.622 0.000 1.063 293 S CB 1.620 64.665 63.200 -0.260 0.000 1.039 293 S HN 0.432 nan 8.310 nan 0.000 0.580 294 E N 0.552 120.602 120.200 -0.250 0.000 2.390 294 E HA 0.360 4.710 4.350 0.000 0.000 0.280 294 E C -1.719 175.058 176.600 0.296 0.000 0.992 294 E CA -0.819 55.665 56.400 0.140 0.000 0.790 294 E CB 1.394 31.162 29.700 0.113 0.000 1.248 294 E HN 0.087 nan 8.360 nan 0.000 0.447 295 I N 3.241 123.968 120.570 0.262 0.000 2.428 295 I HA 0.115 4.285 4.170 0.000 0.000 0.289 295 I C 1.225 177.290 176.117 -0.086 0.000 1.019 295 I CA -0.033 61.249 61.300 -0.031 0.000 1.351 295 I CB 1.211 38.940 38.000 -0.452 0.000 1.412 295 I HN 0.668 nan 8.210 nan 0.000 0.513 296 E N 3.213 123.350 120.200 -0.105 0.000 2.102 296 E HA 0.026 4.376 4.350 0.000 0.000 0.190 296 E C 0.374 177.018 176.600 0.074 0.000 0.971 296 E CA 0.632 57.040 56.400 0.013 0.000 0.821 296 E CB 0.349 30.053 29.700 0.007 0.000 0.777 296 E HN 0.754 nan 8.360 nan 0.000 0.460 297 S N -0.909 114.757 115.700 -0.057 0.000 2.595 297 S HA 0.454 4.924 4.470 0.000 0.000 0.270 297 S C -1.438 173.178 174.600 0.026 0.000 1.145 297 S CA -1.059 57.227 58.200 0.144 0.000 0.825 297 S CB 1.051 64.388 63.200 0.230 0.000 1.107 297 S HN 0.020 nan 8.310 nan 0.000 0.461 298 L N 2.159 123.529 121.223 0.245 0.000 2.287 298 L HA 0.538 4.878 4.340 0.000 0.000 0.287 298 L C -0.629 176.347 176.870 0.176 0.000 1.022 298 L CA -0.107 54.814 54.840 0.135 0.000 0.814 298 L CB 0.605 42.755 42.059 0.152 0.000 1.217 298 L HN 0.883 nan 8.230 nan 0.000 0.420 299 H N 6.396 125.426 119.070 -0.068 0.000 2.668 299 H HA 0.439 4.995 4.556 -0.000 0.000 0.303 299 H C -0.287 174.983 175.328 -0.097 0.000 1.074 299 H CA -0.454 55.555 56.048 -0.066 0.000 1.406 299 H CB 1.074 30.803 29.762 -0.055 0.000 1.442 299 H HN 0.686 nan 8.280 nan 0.000 0.482 300 I N 0.220 120.770 120.570 -0.034 0.000 2.740 300 I HA 0.393 4.563 4.170 0.000 0.000 0.303 300 I C -0.767 175.385 176.117 0.059 0.000 1.044 300 I CA -0.924 60.332 61.300 -0.075 0.000 1.064 300 I CB 2.778 40.593 38.000 -0.307 0.000 1.249 300 I HN 0.589 nan 8.210 nan 0.000 0.433 301 H N 3.581 122.627 119.070 -0.040 0.000 2.800 301 H HA 0.230 4.786 4.556 -0.000 0.000 0.322 301 H C -1.426 173.925 175.328 0.039 0.000 0.979 301 H CA -0.728 55.315 56.048 -0.009 0.000 1.277 301 H CB 1.443 31.203 29.762 -0.003 0.000 1.484 301 H HN 0.777 nan 8.280 nan 0.000 0.512 302 D N 5.692 126.142 120.400 0.084 0.000 2.346 302 D HA -0.007 4.633 4.640 0.000 0.000 0.260 302 D C 1.110 177.279 176.300 -0.219 0.000 1.252 302 D CA -0.026 53.980 54.000 0.010 0.000 0.895 302 D CB 0.954 41.867 40.800 0.189 0.000 1.097 302 D HN 0.686 nan 8.370 nan 0.000 0.489 303 L N 4.241 125.324 121.223 -0.234 0.000 2.376 303 L HA -0.101 4.239 4.340 0.000 0.000 0.219 303 L C 1.899 178.717 176.870 -0.087 0.000 1.133 303 L CA 0.183 54.871 54.840 -0.253 0.000 0.816 303 L CB -0.023 41.972 42.059 -0.107 0.000 0.933 303 L HN 0.519 nan 8.230 nan 0.000 0.449 304 I N -0.696 119.861 120.570 -0.021 0.000 2.385 304 I HA -0.127 4.043 4.170 0.000 0.000 0.244 304 I C 2.760 178.895 176.117 0.029 0.000 1.089 304 I CA 1.549 62.859 61.300 0.017 0.000 1.410 304 I CB -1.136 36.888 38.000 0.040 0.000 1.117 304 I HN 0.263 nan 8.210 nan 0.000 0.429 305 S N 0.563 116.292 115.700 0.049 0.000 2.414 305 S HA 0.051 4.521 4.470 0.000 0.000 0.227 305 S C 1.892 176.527 174.600 0.059 0.000 1.022 305 S CA 1.145 59.383 58.200 0.064 0.000 0.958 305 S CB -0.062 63.199 63.200 0.102 0.000 0.797 305 S HN 0.593 nan 8.310 nan 0.000 0.493 306 G N 1.047 109.889 108.800 0.071 0.000 2.241 306 G HA2 -0.202 3.758 3.960 0.000 0.000 0.244 306 G HA3 -0.202 3.758 3.960 0.000 0.000 0.244 306 G C -0.352 174.644 174.900 0.160 0.000 0.998 306 G CA 0.115 45.313 45.100 0.163 0.000 0.621 306 G HN 0.574 nan 8.290 nan 0.000 0.519 307 D N 0.987 121.415 120.400 0.048 0.000 2.423 307 D HA 0.451 5.091 4.640 0.000 0.000 0.238 307 D C 0.993 177.150 176.300 -0.238 0.000 1.142 307 D CA 0.413 54.310 54.000 -0.172 0.000 0.884 307 D CB 0.558 41.195 40.800 -0.272 0.000 1.199 307 D HN 0.460 nan 8.370 nan 0.000 0.438 308 R N 0.912 121.104 120.500 -0.514 0.000 2.664 308 R HA 0.644 4.984 4.340 0.000 0.000 0.286 308 R C -0.723 175.104 176.300 -0.789 0.000 0.967 308 R CA -0.668 55.172 56.100 -0.434 0.000 0.933 308 R CB 1.280 31.408 30.300 -0.287 0.000 1.146 308 R HN 0.280 nan 8.270 nan 0.000 0.468 309 F N -0.156 119.701 119.950 -0.156 0.000 2.643 309 F HA 0.259 4.786 4.527 0.000 0.000 0.314 309 F C -0.328 175.300 175.800 -0.287 0.000 1.096 309 F CA -0.993 56.897 58.000 -0.183 0.000 0.953 309 F CB 1.865 40.782 39.000 -0.139 0.000 1.345 309 F HN 0.431 nan 8.300 nan 0.000 0.468 310 E N 2.480 122.662 120.200 -0.030 0.000 2.129 310 E HA 0.478 4.828 4.350 0.000 0.000 0.268 310 E C -1.495 175.152 176.600 0.077 0.000 0.900 310 E CA -0.592 55.766 56.400 -0.070 0.000 0.755 310 E CB 1.138 30.744 29.700 -0.158 0.000 1.117 310 E HN 0.383 nan 8.360 nan 0.000 0.410 311 I N 3.282 123.908 120.570 0.094 0.000 2.365 311 I HA 0.276 4.446 4.170 0.000 0.000 0.291 311 I C 0.147 176.401 176.117 0.228 0.000 1.004 311 I CA -0.625 60.757 61.300 0.136 0.000 1.311 311 I CB 1.000 39.040 38.000 0.068 0.000 1.401 311 I HN 0.629 nan 8.210 nan 0.000 0.491 312 K N 4.833 125.361 120.400 0.213 0.000 2.207 312 K HA 0.828 5.148 4.320 0.000 0.000 0.255 312 K C -1.146 175.535 176.600 0.136 0.000 0.941 312 K CA -0.345 56.074 56.287 0.220 0.000 0.825 312 K CB 1.868 34.460 32.500 0.154 0.000 1.119 312 K HN 0.800 nan 8.250 nan 0.000 0.430 313 A N 2.665 125.483 122.820 -0.002 0.000 2.602 313 A HA 0.367 4.687 4.320 0.000 0.000 0.290 313 A C -0.591 176.872 177.584 -0.201 0.000 1.114 313 A CA -0.688 51.227 52.037 -0.203 0.000 0.683 313 A CB 1.073 19.794 19.000 -0.466 0.000 1.281 313 A HN 0.773 nan 8.150 nan 0.000 0.416 314 D N -0.527 119.795 120.400 -0.131 0.000 2.149 314 D HA 0.103 4.743 4.640 0.000 0.000 0.201 314 D C 0.379 176.551 176.300 -0.213 0.000 0.972 314 D CA 1.778 55.758 54.000 -0.034 0.000 0.835 314 D CB 0.121 40.959 40.800 0.063 0.000 0.966 314 D HN 0.239 nan 8.370 nan 0.000 0.476 315 V N 0.788 120.426 119.914 -0.459 0.000 2.531 315 V HA 0.279 4.399 4.120 0.000 0.000 0.301 315 V C -1.204 174.615 176.094 -0.458 0.000 1.034 315 V CA -0.881 61.146 62.300 -0.456 0.000 0.865 315 V CB 1.599 33.041 31.823 -0.634 0.000 0.995 315 V HN -0.054 nan 8.190 nan 0.000 0.424 316 Y N 3.053 123.335 120.300 -0.031 0.000 2.328 316 Y HA 0.693 5.243 4.550 0.000 0.000 0.337 316 Y C -0.053 175.809 175.900 -0.063 0.000 0.966 316 Y CA -0.891 57.184 58.100 -0.042 0.000 1.136 316 Y CB 2.092 40.532 38.460 -0.034 0.000 1.170 316 Y HN 0.366 nan 8.280 nan 0.000 0.470 317 V N 5.534 125.414 119.914 -0.056 0.000 2.487 317 V HA 0.388 4.508 4.120 0.000 0.000 0.298 317 V C -0.501 175.459 176.094 -0.223 0.000 1.028 317 V CA -0.928 61.221 62.300 -0.251 0.000 0.860 317 V CB 1.751 33.207 31.823 -0.611 0.000 0.991 317 V HN 0.595 nan 8.190 nan 0.000 0.427 318 L N 5.219 126.306 121.223 -0.227 0.000 2.277 318 L HA 0.526 4.866 4.340 0.000 0.000 0.284 318 L C 0.324 177.088 176.870 -0.177 0.000 1.028 318 L CA -0.183 54.547 54.840 -0.184 0.000 0.835 318 L CB 1.520 43.451 42.059 -0.214 0.000 1.215 318 L HN 0.812 nan 8.230 nan 0.000 0.425 319 T N -1.640 112.843 114.554 -0.117 0.000 3.516 319 T HA 0.357 4.707 4.350 0.000 0.000 0.245 319 T C 0.680 175.383 174.700 0.005 0.000 1.077 319 T CA -0.189 61.884 62.100 -0.044 0.000 1.222 319 T CB 1.006 69.849 68.868 -0.042 0.000 1.045 319 T HN 0.515 nan 8.240 nan 0.000 0.585 320 A N 0.822 123.654 122.820 0.019 0.000 2.337 320 A HA 0.764 5.084 4.320 0.000 0.000 0.227 320 A C 1.382 179.040 177.584 0.123 0.000 1.259 320 A CA 0.062 52.132 52.037 0.054 0.000 0.870 320 A CB -0.836 18.192 19.000 0.046 0.000 0.927 320 A HN 1.682 nan 8.150 nan 0.000 0.497 321 G N -2.495 106.379 108.800 0.124 0.000 2.663 321 G HA2 0.253 4.213 3.960 0.000 0.000 0.686 321 G HA3 0.253 4.213 3.960 0.000 0.000 0.686 321 G C 0.766 175.776 174.900 0.183 0.000 1.288 321 G CA -0.311 44.878 45.100 0.149 0.000 0.836 321 G HN 1.278 nan 8.290 nan 0.000 0.584 322 A N -0.500 122.415 122.820 0.159 0.000 1.933 322 A HA 0.219 4.539 4.320 0.000 0.000 0.218 322 A C 2.673 180.349 177.584 0.153 0.000 1.175 322 A CA 3.182 55.306 52.037 0.144 0.000 0.628 322 A CB -0.399 18.656 19.000 0.091 0.000 0.814 322 A HN 1.587 nan 8.150 nan 0.000 0.444 323 V N -0.886 119.083 119.914 0.091 0.000 2.283 323 V HA -0.211 3.909 4.120 0.000 0.000 0.243 323 V C 2.268 178.347 176.094 -0.026 0.000 1.039 323 V CA 2.254 64.557 62.300 0.005 0.000 1.016 323 V CB -0.987 30.730 31.823 -0.177 0.000 0.650 323 V HN 0.731 nan 8.190 nan 0.000 0.449 324 H N -0.306 118.842 119.070 0.131 0.000 2.502 324 H HA -0.016 4.540 4.556 -0.000 0.000 0.283 324 H C 2.257 177.584 175.328 -0.001 0.000 1.015 324 H CA 1.017 57.095 56.048 0.050 0.000 1.298 324 H CB 0.065 29.834 29.762 0.013 0.000 1.411 324 H HN 0.312 nan 8.280 nan 0.000 0.556 325 N N -0.264 118.506 118.700 0.118 0.000 2.120 325 N HA -0.115 4.625 4.740 0.000 0.000 0.188 325 N C 1.732 177.228 175.510 -0.024 0.000 1.024 325 N CA 1.675 54.730 53.050 0.008 0.000 0.852 325 N CB -0.429 38.044 38.487 -0.025 0.000 1.003 325 N HN 0.319 nan 8.380 nan 0.000 0.424 326 T N 0.885 115.497 114.554 0.097 0.000 2.708 326 T HA -0.190 4.160 4.350 0.000 0.000 0.266 326 T C 1.853 176.420 174.700 -0.221 0.000 1.037 326 T CA 1.214 63.368 62.100 0.090 0.000 1.146 326 T CB -0.267 68.801 68.868 0.333 0.000 0.865 326 T HN 0.353 nan 8.240 nan 0.000 0.435 327 Q N 0.129 119.669 119.800 -0.434 0.000 2.061 327 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 327 Q C 2.322 178.042 176.000 -0.467 0.000 0.984 327 Q CA 1.196 56.415 55.803 -0.974 0.000 0.846 327 Q CB -0.254 28.200 28.738 -0.473 0.000 0.902 327 Q HN 0.353 nan 8.270 nan 0.000 0.421 328 L N 0.781 121.868 121.223 -0.226 0.000 2.046 328 L HA -0.142 4.198 4.340 0.000 0.000 0.208 328 L C 1.988 178.773 176.870 -0.143 0.000 1.077 328 L CA 1.585 56.334 54.840 -0.152 0.000 0.747 328 L CB -1.061 40.932 42.059 -0.109 0.000 0.896 328 L HN 0.357 nan 8.230 nan 0.000 0.432 329 L N -1.420 119.706 121.223 -0.161 0.000 2.017 329 L HA -0.206 4.134 4.340 0.000 0.000 0.208 329 L C 2.503 179.399 176.870 0.043 0.000 1.073 329 L CA 1.118 55.897 54.840 -0.101 0.000 0.745 329 L CB -0.646 41.268 42.059 -0.242 0.000 0.894 329 L HN 0.085 nan 8.230 nan 0.000 0.432 330 V N -0.163 119.705 119.914 -0.078 0.000 2.427 330 V HA -0.264 3.856 4.120 0.000 0.000 0.248 330 V C 2.076 178.133 176.094 -0.062 0.000 1.051 330 V CA 1.958 64.231 62.300 -0.045 0.000 1.048 330 V CB -0.728 31.027 31.823 -0.114 0.000 0.666 330 V HN 0.484 nan 8.190 nan 0.000 0.456 331 N N 0.038 118.661 118.700 -0.130 0.000 2.519 331 N HA -0.109 4.631 4.740 0.000 0.000 0.186 331 N C 1.573 177.045 175.510 -0.063 0.000 1.062 331 N CA 1.175 54.170 53.050 -0.091 0.000 0.910 331 N CB -0.044 38.378 38.487 -0.108 0.000 0.958 331 N HN 0.401 nan 8.380 nan 0.000 0.445 332 S N -1.744 113.938 115.700 -0.031 0.000 2.540 332 S HA 0.310 4.780 4.470 0.000 0.000 0.218 332 S C 1.118 175.654 174.600 -0.106 0.000 0.977 332 S CA 0.292 58.471 58.200 -0.036 0.000 0.918 332 S CB 0.668 63.908 63.200 0.066 0.000 0.806 332 S HN 0.537 nan 8.310 nan 0.000 0.496 333 G N 1.052 109.802 108.800 -0.083 0.000 2.159 333 G HA2 -0.217 3.743 3.960 0.000 0.000 0.227 333 G HA3 -0.217 3.743 3.960 0.000 0.000 0.227 333 G C -0.083 174.680 174.900 -0.229 0.000 0.986 333 G CA -0.550 44.453 45.100 -0.162 0.000 0.651 333 G HN 0.399 nan 8.290 nan 0.000 0.523 334 F N 0.848 120.754 119.950 -0.073 0.000 2.371 334 F HA 0.564 5.091 4.527 -0.000 0.000 0.329 334 F C 1.596 177.395 175.800 -0.001 0.000 1.107 334 F CA 0.923 58.895 58.000 -0.047 0.000 1.137 334 F CB 1.017 39.960 39.000 -0.094 0.000 1.214 334 F HN 0.776 nan 8.300 nan 0.000 0.536 335 G N 1.771 110.704 108.800 0.221 0.000 2.566 335 G HA2 -0.281 3.679 3.960 0.000 0.000 0.280 335 G HA3 -0.281 3.679 3.960 0.000 0.000 0.280 335 G C -0.764 174.205 174.900 0.114 0.000 1.225 335 G CA 0.159 45.359 45.100 0.166 0.000 0.966 335 G HN 0.870 nan 8.290 nan 0.000 0.560 336 Q N -1.082 118.793 119.800 0.125 0.000 2.305 336 Q HA 0.623 4.963 4.340 0.000 0.000 0.271 336 Q C -1.010 175.071 176.000 0.135 0.000 1.046 336 Q CA -1.024 54.834 55.803 0.092 0.000 0.798 336 Q CB 1.771 30.543 28.738 0.057 0.000 1.286 336 Q HN 0.901 nan 8.270 nan 0.000 0.435 337 L N 3.474 124.764 121.223 0.112 0.000 2.417 337 L HA 0.753 5.093 4.340 0.000 0.000 0.268 337 L C 0.373 177.324 176.870 0.134 0.000 1.158 337 L CA 2.040 56.973 54.840 0.155 0.000 0.819 337 L CB 0.948 43.070 42.059 0.106 0.000 1.112 337 L HN 0.870 nan 8.230 nan 0.000 0.458 338 G N 3.620 112.556 108.800 0.225 0.000 2.757 338 G HA2 -0.209 3.751 3.960 0.000 0.000 0.638 338 G HA3 -0.209 3.751 3.960 0.000 0.000 0.638 338 G C -0.515 174.279 174.900 -0.177 0.000 1.344 338 G CA -0.211 44.975 45.100 0.143 0.000 0.855 338 G HN 0.939 nan 8.290 nan 0.000 0.537 339 R N 0.718 120.890 120.500 -0.546 0.000 2.538 339 R HA 0.340 4.680 4.340 0.000 0.000 0.282 339 R C -1.912 173.939 176.300 -0.749 0.000 1.009 339 R CA -0.512 54.831 56.100 -1.262 0.000 1.063 339 R CB -0.002 29.851 30.300 -0.745 0.000 0.945 339 R HN 0.338 nan 8.270 nan 0.000 0.414 340 P HA -0.061 nan 4.420 nan 0.000 0.263 340 P C -1.292 175.849 177.300 -0.265 0.000 1.195 340 P CA 0.482 63.336 63.100 -0.409 0.000 0.762 340 P CB 0.334 31.818 31.700 -0.360 0.000 0.799 341 N N 4.188 122.789 118.700 -0.166 0.000 2.569 341 N HA 0.213 4.953 4.740 0.000 0.000 0.254 341 N C -1.770 173.696 175.510 -0.073 0.000 1.004 341 N CA -2.011 50.971 53.050 -0.114 0.000 0.904 341 N CB 1.397 39.827 38.487 -0.094 0.000 1.165 341 N HN 0.181 nan 8.380 nan 0.000 0.513 342 P HA 0.048 nan 4.420 nan 0.000 0.231 342 P C 0.779 178.062 177.300 -0.029 0.000 1.168 342 P CA 0.394 63.469 63.100 -0.042 0.000 0.779 342 P CB 0.318 31.992 31.700 -0.044 0.000 0.844 343 A N -0.452 122.349 122.820 -0.032 0.000 2.167 343 A HA -0.029 4.291 4.320 0.000 0.000 0.214 343 A C 1.423 178.995 177.584 -0.019 0.000 1.151 343 A CA 0.657 52.680 52.037 -0.023 0.000 0.735 343 A CB -0.756 18.230 19.000 -0.025 0.000 0.802 343 A HN 0.110 nan 8.150 nan 0.000 0.467 344 N N 0.750 119.436 118.700 -0.023 0.000 2.844 344 N HA 0.220 4.960 4.740 0.000 0.000 0.268 344 N C -3.198 172.305 175.510 -0.012 0.000 1.574 344 N CA -1.270 51.769 53.050 -0.019 0.000 0.838 344 N CB 1.106 39.577 38.487 -0.025 0.000 1.177 344 N HN 0.142 nan 8.380 nan 0.000 0.495 345 P HA 0.257 nan 4.420 nan 0.000 0.271 345 P C -2.549 174.759 177.300 0.013 0.000 1.216 345 P CA -0.763 62.342 63.100 0.007 0.000 0.776 345 P CB 0.177 31.883 31.700 0.011 0.000 0.881 346 P HA 0.111 nan 4.420 nan 0.000 0.272 346 P C 0.926 178.244 177.300 0.030 0.000 1.223 346 P CA -0.111 63.007 63.100 0.030 0.000 0.784 346 P CB 1.077 32.810 31.700 0.055 0.000 0.923 347 E N 0.994 121.204 120.200 0.017 0.000 2.051 347 E HA -0.078 4.272 4.350 0.000 0.000 0.192 347 E C -0.001 176.624 176.600 0.042 0.000 0.991 347 E CA 0.936 57.345 56.400 0.014 0.000 0.799 347 E CB 0.013 29.705 29.700 -0.014 0.000 0.748 347 E HN 0.374 nan 8.360 nan 0.000 0.449 348 L N 0.878 122.136 121.223 0.058 0.000 2.386 348 L HA 0.307 4.647 4.340 0.000 0.000 0.271 348 L C -0.349 176.642 176.870 0.201 0.000 0.993 348 L CA -0.955 53.962 54.840 0.129 0.000 0.819 348 L CB 1.937 44.021 42.059 0.041 0.000 1.294 348 L HN 0.162 nan 8.230 nan 0.000 0.414 349 L N 3.511 124.877 121.223 0.238 0.000 3.823 349 L HA -0.179 4.161 4.340 0.000 0.000 0.525 349 L C -1.489 175.489 176.870 0.180 0.000 1.247 349 L CA -0.475 54.504 54.840 0.230 0.000 0.776 349 L CB -0.828 41.394 42.059 0.273 0.000 1.443 349 L HN 0.582 nan 8.230 nan 0.000 0.831 350 P HA -0.108 nan 4.420 nan 0.000 0.222 350 P C 1.276 178.668 177.300 0.155 0.000 1.147 350 P CA 1.017 64.191 63.100 0.123 0.000 0.790 350 P CB 0.320 32.075 31.700 0.092 0.000 0.780 351 S N -0.606 115.204 115.700 0.184 0.000 2.603 351 S HA 0.052 4.522 4.470 0.000 0.000 0.220 351 S C 0.849 175.606 174.600 0.260 0.000 0.967 351 S CA -0.359 57.996 58.200 0.259 0.000 0.920 351 S CB -0.713 62.626 63.200 0.232 0.000 0.773 351 S HN 0.072 nan 8.310 nan 0.000 0.529 352 L N 2.056 123.409 121.223 0.217 0.000 2.499 352 L HA 0.435 4.775 4.340 0.000 0.000 0.273 352 L C 1.191 178.200 176.870 0.231 0.000 1.195 352 L CA 1.115 56.086 54.840 0.218 0.000 0.882 352 L CB -0.205 41.970 42.059 0.193 0.000 1.133 352 L HN 0.318 nan 8.230 nan 0.000 0.483 353 G N 2.443 111.389 108.800 0.243 0.000 2.189 353 G HA2 -0.285 3.675 3.960 0.000 0.000 0.267 353 G HA3 -0.285 3.675 3.960 0.000 0.000 0.267 353 G C 0.458 175.481 174.900 0.204 0.000 0.975 353 G CA 0.442 45.684 45.100 0.235 0.000 0.644 353 G HN 0.826 nan 8.290 nan 0.000 0.537 354 S N -1.354 114.474 115.700 0.213 0.000 2.722 354 S HA 0.634 5.104 4.470 0.000 0.000 0.292 354 S C 0.378 175.127 174.600 0.248 0.000 1.135 354 S CA 0.120 58.389 58.200 0.116 0.000 1.003 354 S CB 0.809 63.981 63.200 -0.047 0.000 1.067 354 S HN 0.912 nan 8.310 nan 0.000 0.546 355 Y N -0.994 119.374 120.300 0.113 0.000 4.032 355 Y HA -0.193 4.357 4.550 0.000 0.000 0.230 355 Y C 0.464 176.447 175.900 0.137 0.000 1.202 355 Y CA 0.134 58.299 58.100 0.108 0.000 1.878 355 Y CB -2.117 36.402 38.460 0.099 0.000 1.586 355 Y HN 0.612 nan 8.280 nan 0.000 0.673 356 I N -0.117 120.602 120.570 0.248 0.000 2.634 356 I HA 0.522 4.692 4.170 0.000 0.000 0.284 356 I C 0.645 176.938 176.117 0.294 0.000 1.124 356 I CA 0.359 61.813 61.300 0.256 0.000 1.417 356 I CB 1.398 39.552 38.000 0.255 0.000 1.396 356 I HN 0.209 nan 8.210 nan 0.000 0.571 357 T N 1.899 116.588 114.554 0.226 0.000 2.887 357 T HA 0.689 5.039 4.350 0.000 0.000 0.288 357 T C -0.661 174.082 174.700 0.071 0.000 1.021 357 T CA -0.680 61.544 62.100 0.207 0.000 1.000 357 T CB 2.130 71.063 68.868 0.108 0.000 1.034 357 T HN 0.827 nan 8.240 nan 0.000 0.467 358 E N 0.999 121.223 120.200 0.040 0.000 2.331 358 E HA 0.346 4.696 4.350 0.000 0.000 0.275 358 E C -1.124 175.598 176.600 0.204 0.000 0.895 358 E CA -0.551 55.828 56.400 -0.035 0.000 0.753 358 E CB 2.042 31.501 29.700 -0.401 0.000 1.216 358 E HN 0.711 nan 8.360 nan 0.000 0.434 359 Q N 1.168 121.098 119.800 0.218 0.000 2.352 359 Q HA 0.395 4.735 4.340 0.000 0.000 0.260 359 Q C -0.398 175.829 176.000 0.379 0.000 0.976 359 Q CA -0.172 55.815 55.803 0.306 0.000 0.881 359 Q CB 1.081 30.042 28.738 0.373 0.000 1.235 359 Q HN 0.466 nan 8.270 nan 0.000 0.419 360 S N 1.645 117.504 115.700 0.265 0.000 2.562 360 S HA 0.300 4.770 4.470 0.000 0.000 0.281 360 S C -0.660 174.006 174.600 0.110 0.000 1.333 360 S CA -0.429 57.791 58.200 0.034 0.000 1.052 360 S CB 0.365 63.483 63.200 -0.136 0.000 0.884 360 S HN 0.375 nan 8.310 nan 0.000 0.506 361 L N 4.653 125.905 121.223 0.048 0.000 2.409 361 L HA 0.704 5.044 4.340 0.000 0.000 0.272 361 L C -0.746 175.979 176.870 -0.242 0.000 0.980 361 L CA -0.674 54.084 54.840 -0.135 0.000 0.826 361 L CB 1.615 43.576 42.059 -0.164 0.000 1.268 361 L HN 0.477 nan 8.230 nan 0.000 0.407 362 V N 1.982 121.674 119.914 -0.370 0.000 2.881 362 V HA 0.776 4.896 4.120 0.000 0.000 0.316 362 V C -0.948 175.006 176.094 -0.233 0.000 1.070 362 V CA -0.693 61.312 62.300 -0.492 0.000 0.976 362 V CB 1.721 33.075 31.823 -0.781 0.000 1.038 362 V HN 0.838 nan 8.190 nan 0.000 0.446 363 F N 3.782 123.515 119.950 -0.361 0.000 2.628 363 F HA 0.848 5.375 4.527 -0.000 0.000 0.309 363 F C -0.502 175.166 175.800 -0.221 0.000 1.108 363 F CA -0.203 57.667 58.000 -0.216 0.000 0.971 363 F CB 1.420 40.334 39.000 -0.142 0.000 1.279 363 F HN 1.227 nan 8.300 nan 0.000 0.441 364 C N 2.634 121.193 119.300 -1.235 0.000 3.321 364 C HA 0.793 5.253 4.460 0.000 0.000 0.329 364 C C -1.734 172.645 174.990 -1.019 0.000 1.394 364 C CA -0.731 57.583 59.018 -1.174 0.000 1.291 364 C CB 1.638 28.971 27.740 -0.678 0.000 1.606 364 C HN 0.992 nan 8.230 nan 0.000 0.463 365 Q N 0.601 120.064 119.800 -0.562 0.000 2.387 365 Q HA 0.775 5.115 4.340 0.000 0.000 0.273 365 Q C -0.431 175.582 176.000 0.022 0.000 1.089 365 Q CA -0.236 55.470 55.803 -0.161 0.000 0.824 365 Q CB 2.682 31.328 28.738 -0.152 0.000 1.367 365 Q HN 0.936 nan 8.270 nan 0.000 0.443 366 T N -2.560 112.089 114.554 0.158 0.000 2.924 366 T HA 0.691 5.041 4.350 0.000 0.000 0.291 366 T C -0.517 174.231 174.700 0.081 0.000 1.045 366 T CA -0.732 61.430 62.100 0.103 0.000 1.015 366 T CB 1.230 70.169 68.868 0.117 0.000 1.103 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.725 122.654 119.914 0.025 0.000 2.370 367 V HA 0.385 4.505 4.120 0.000 0.000 0.283 367 V C 0.345 176.442 176.094 0.005 0.000 1.023 367 V CA -0.908 61.398 62.300 0.011 0.000 0.857 367 V CB 1.121 32.941 31.823 -0.005 0.000 0.985 367 V HN 1.025 nan 8.190 nan 0.000 0.443 368 M N 4.912 124.522 119.600 0.017 0.000 2.248 368 M HA 0.057 4.537 4.480 0.000 0.000 0.343 368 M C 0.877 177.177 176.300 -0.001 0.000 1.243 368 M CA 0.733 56.044 55.300 0.018 0.000 1.025 368 M CB 0.560 33.169 32.600 0.015 0.000 1.759 368 M HN 0.924 nan 8.290 nan 0.000 0.452 369 S N 2.677 118.375 115.700 -0.004 0.000 2.568 369 S HA 0.063 4.533 4.470 0.000 0.000 0.282 369 S C 1.040 175.636 174.600 -0.006 0.000 1.338 369 S CA -0.107 58.083 58.200 -0.017 0.000 1.045 369 S CB 0.576 63.761 63.200 -0.025 0.000 0.873 369 S HN 0.820 nan 8.310 nan 0.000 0.516 370 T N 2.630 117.177 114.554 -0.011 0.000 2.653 370 T HA -0.194 4.156 4.350 0.000 0.000 0.268 370 T C 1.628 176.331 174.700 0.005 0.000 1.035 370 T CA 2.179 64.277 62.100 -0.003 0.000 1.154 370 T CB -0.621 68.243 68.868 -0.007 0.000 0.862 370 T HN 0.819 nan 8.240 nan 0.000 0.441 371 E N 0.726 120.925 120.200 -0.000 0.000 2.070 371 E HA -0.112 4.238 4.350 0.000 0.000 0.197 371 E C 2.308 178.922 176.600 0.024 0.000 1.004 371 E CA 1.023 57.427 56.400 0.007 0.000 0.805 371 E CB -0.379 29.319 29.700 -0.004 0.000 0.744 371 E HN 0.426 nan 8.360 nan 0.000 0.451 372 L N 0.684 121.924 121.223 0.027 0.000 2.056 372 L HA -0.183 4.157 4.340 0.000 0.000 0.207 372 L C 2.442 179.349 176.870 0.061 0.000 1.078 372 L CA 0.465 55.336 54.840 0.052 0.000 0.749 372 L CB -0.263 41.826 42.059 0.049 0.000 0.901 372 L HN 0.195 nan 8.230 nan 0.000 0.433 373 I N -0.032 120.560 120.570 0.036 0.000 2.179 373 I HA -0.284 3.886 4.170 0.000 0.000 0.242 373 I C 2.178 178.322 176.117 0.045 0.000 1.088 373 I CA 1.503 62.819 61.300 0.028 0.000 1.357 373 I CB -1.147 36.858 38.000 0.010 0.000 1.051 373 I HN 0.271 nan 8.210 nan 0.000 0.409 374 D N 0.703 121.129 120.400 0.043 0.000 2.149 374 D HA -0.150 4.490 4.640 0.000 0.000 0.198 374 D C 2.372 178.719 176.300 0.078 0.000 0.990 374 D CA 1.716 55.746 54.000 0.051 0.000 0.839 374 D CB -0.138 40.683 40.800 0.035 0.000 0.948 374 D HN 0.385 nan 8.370 nan 0.000 0.460 375 S N -0.064 115.693 115.700 0.096 0.000 2.419 375 S HA -0.115 4.355 4.470 0.000 0.000 0.233 375 S C 2.169 176.927 174.600 0.263 0.000 1.016 375 S CA 0.758 59.051 58.200 0.154 0.000 0.974 375 S CB -0.527 62.759 63.200 0.144 0.000 0.786 375 S HN 0.089 nan 8.310 nan 0.000 0.492 376 V N 2.970 123.012 119.914 0.213 0.000 2.392 376 V HA -0.156 3.964 4.120 0.000 0.000 0.249 376 V C 2.136 178.381 176.094 0.251 0.000 1.059 376 V CA 2.130 64.586 62.300 0.260 0.000 1.051 376 V CB -0.810 31.062 31.823 0.081 0.000 0.658 376 V HN 0.831 nan 8.190 nan 0.000 0.455 377 K N 0.085 120.581 120.400 0.159 0.000 2.593 377 K HA 0.194 4.514 4.320 0.000 0.000 0.208 377 K C 1.457 178.120 176.600 0.104 0.000 1.051 377 K CA 0.635 56.997 56.287 0.126 0.000 1.111 377 K CB 0.275 32.829 32.500 0.090 0.000 0.849 377 K HN 0.402 nan 8.250 nan 0.000 0.479 378 S N 0.616 116.391 115.700 0.125 0.000 2.419 378 S HA -0.157 4.313 4.470 0.000 0.000 0.235 378 S C 0.940 175.552 174.600 0.019 0.000 1.019 378 S CA 1.250 59.483 58.200 0.055 0.000 0.982 378 S CB -0.219 62.989 63.200 0.012 0.000 0.789 378 S HN 0.326 nan 8.310 nan 0.000 0.490 379 D N 0.582 121.001 120.400 0.032 0.000 2.349 379 D HA 0.247 4.887 4.640 0.000 0.000 0.214 379 D C 0.143 176.473 176.300 0.052 0.000 1.063 379 D CA 0.201 54.204 54.000 0.004 0.000 0.847 379 D CB 0.015 40.791 40.800 -0.041 0.000 0.933 379 D HN 0.359 nan 8.370 nan 0.000 0.513 380 M N 0.516 120.150 119.600 0.057 0.000 2.235 380 M HA 0.205 4.685 4.480 0.000 0.000 0.351 380 M C 0.327 176.653 176.300 0.044 0.000 1.178 380 M CA 0.203 55.545 55.300 0.070 0.000 1.143 380 M CB 0.858 33.495 32.600 0.062 0.000 1.530 380 M HN -0.311 nan 8.290 nan 0.000 0.461 381 T N 4.170 118.745 114.554 0.035 0.000 2.771 381 T HA 0.695 5.045 4.350 0.000 0.000 0.281 381 T C -0.045 174.632 174.700 -0.038 0.000 0.982 381 T CA -0.380 61.721 62.100 0.001 0.000 0.978 381 T CB 0.705 69.571 68.868 -0.004 0.000 0.930 381 T HN 0.425 nan 8.240 nan 0.000 0.447 382 I N 3.297 123.842 120.570 -0.043 0.000 2.406 382 I HA 0.502 4.672 4.170 0.000 0.000 0.290 382 I C 0.304 176.373 176.117 -0.080 0.000 0.999 382 I CA -0.634 60.608 61.300 -0.097 0.000 1.124 382 I CB 1.465 39.450 38.000 -0.024 0.000 1.289 382 I HN 0.256 nan 8.210 nan 0.000 0.441 383 R N 3.985 124.395 120.500 -0.151 0.000 2.575 383 R HA 0.739 5.079 4.340 0.000 0.000 0.293 383 R C -0.096 176.183 176.300 -0.036 0.000 0.983 383 R CA -0.400 55.657 56.100 -0.071 0.000 0.887 383 R CB 2.198 32.455 30.300 -0.071 0.000 1.184 383 R HN 0.909 nan 8.270 nan 0.000 0.445 384 G N 1.079 109.920 108.800 0.069 0.000 2.548 384 G HA2 -0.222 3.738 3.960 0.000 0.000 0.208 384 G HA3 -0.222 3.738 3.960 0.000 0.000 0.208 384 G C -1.106 173.950 174.900 0.261 0.000 1.308 384 G CA -0.554 44.639 45.100 0.155 0.000 0.924 384 G HN 0.563 nan 8.290 nan 0.000 0.540 385 T N 0.802 115.512 114.554 0.260 0.000 2.881 385 T HA 0.656 5.006 4.350 0.000 0.000 0.290 385 T C -2.974 171.674 174.700 -0.086 0.000 1.000 385 T CA -1.085 61.088 62.100 0.120 0.000 0.978 385 T CB 2.392 71.287 68.868 0.044 0.000 0.997 385 T HN 0.524 nan 8.240 nan 0.000 0.443 386 P HA 0.192 nan 4.420 nan 0.000 0.263 386 P C 1.210 178.307 177.300 -0.339 0.000 1.168 386 P CA 1.477 64.103 63.100 -0.790 0.000 0.759 386 P CB 0.119 31.478 31.700 -0.569 0.000 0.782 387 G N 1.792 110.426 108.800 -0.278 0.000 2.213 387 G HA2 -0.192 3.768 3.960 0.000 0.000 0.236 387 G HA3 -0.192 3.768 3.960 0.000 0.000 0.236 387 G C -0.074 174.799 174.900 -0.044 0.000 0.991 387 G CA -0.199 44.831 45.100 -0.116 0.000 0.629 387 G HN 0.567 nan 8.290 nan 0.000 0.517 388 E N -0.374 119.816 120.200 -0.017 0.000 2.239 388 E HA 0.694 5.044 4.350 0.000 0.000 0.261 388 E C 0.938 177.579 176.600 0.068 0.000 1.016 388 E CA -1.121 55.296 56.400 0.028 0.000 0.882 388 E CB 1.418 31.137 29.700 0.033 0.000 1.190 388 E HN -0.003 nan 8.360 nan 0.000 0.415 389 L N 1.322 122.575 121.223 0.051 0.000 2.201 389 L HA -0.143 4.197 4.340 0.000 0.000 0.212 389 L C 2.237 179.145 176.870 0.063 0.000 1.105 389 L CA 2.137 57.008 54.840 0.050 0.000 0.775 389 L CB -0.820 41.257 42.059 0.031 0.000 0.913 389 L HN 0.836 nan 8.230 nan 0.000 0.440 390 T N -4.181 110.417 114.554 0.072 0.000 2.951 390 T HA -0.199 4.151 4.350 0.000 0.000 0.268 390 T C 0.948 175.705 174.700 0.095 0.000 1.073 390 T CA -0.006 62.135 62.100 0.068 0.000 1.134 390 T CB -0.766 68.138 68.868 0.061 0.000 0.884 390 T HN 0.127 nan 8.240 nan 0.000 0.479 391 Y N 3.024 123.325 120.300 0.002 0.000 2.810 391 Y HA 0.329 4.879 4.550 0.000 0.000 0.332 391 Y C 0.338 176.240 175.900 0.004 0.000 1.243 391 Y CA -0.068 58.034 58.100 0.003 0.000 1.537 391 Y CB 0.151 38.612 38.460 0.002 0.000 1.265 391 Y HN 0.282 nan 8.280 nan 0.000 0.572 392 S N 5.383 120.781 115.700 -0.502 0.000 2.614 392 S HA 0.660 5.130 4.470 0.000 0.000 0.275 392 S C -2.058 172.263 174.600 -0.466 0.000 1.161 392 S CA -0.787 57.199 58.200 -0.356 0.000 0.969 392 S CB 0.648 63.750 63.200 -0.163 0.000 1.059 392 S HN 0.461 nan 8.310 nan 0.000 0.482 393 V N 4.590 124.311 119.914 -0.323 0.000 2.378 393 V HA 0.763 4.883 4.120 0.000 0.000 0.288 393 V C 0.293 176.360 176.094 -0.046 0.000 1.016 393 V CA -0.331 61.856 62.300 -0.189 0.000 0.840 393 V CB 1.076 32.829 31.823 -0.117 0.000 0.994 393 V HN 1.036 nan 8.190 nan 0.000 0.431 394 T N 1.863 116.411 114.554 -0.009 0.000 2.901 394 T HA 0.880 5.230 4.350 0.000 0.000 0.293 394 T C -0.969 173.816 174.700 0.142 0.000 1.084 394 T CA -0.705 61.419 62.100 0.039 0.000 1.008 394 T CB 2.437 71.282 68.868 -0.038 0.000 1.170 394 T HN 0.845 nan 8.240 nan 0.000 0.509 395 Y N -1.599 118.692 120.300 -0.014 0.000 2.677 395 Y HA 0.790 5.340 4.550 0.000 0.000 0.334 395 Y C -1.016 174.877 175.900 -0.012 0.000 1.154 395 Y CA -1.261 56.832 58.100 -0.011 0.000 1.070 395 Y CB 0.998 39.459 38.460 0.002 0.000 1.294 395 Y HN 0.643 nan 8.280 nan 0.000 0.475 396 T N 3.817 118.360 114.554 -0.019 0.000 2.821 396 T HA 0.414 4.764 4.350 0.000 0.000 0.307 396 T C -2.862 171.837 174.700 -0.001 0.000 1.034 396 T CA -1.377 60.662 62.100 -0.102 0.000 0.953 396 T CB 0.803 69.657 68.868 -0.023 0.000 0.968 396 T HN 0.361 nan 8.240 nan 0.000 0.462 397 P HA 0.214 nan 4.420 nan 0.000 0.264 397 P C 1.113 178.452 177.300 0.065 0.000 1.193 397 P CA 0.798 63.948 63.100 0.083 0.000 0.763 397 P CB 0.351 32.050 31.700 -0.001 0.000 0.810 398 G N 2.091 110.942 108.800 0.086 0.000 2.184 398 G HA2 -0.240 3.720 3.960 0.000 0.000 0.264 398 G HA3 -0.240 3.720 3.960 0.000 0.000 0.264 398 G C 0.494 175.403 174.900 0.015 0.000 0.975 398 G CA 0.022 45.145 45.100 0.039 0.000 0.642 398 G HN 0.860 nan 8.290 nan 0.000 0.536 399 A N 0.543 123.374 122.820 0.019 0.000 2.511 399 A HA 0.615 4.935 4.320 0.000 0.000 0.242 399 A C 1.787 179.359 177.584 -0.020 0.000 1.069 399 A CA 1.281 53.318 52.037 -0.001 0.000 0.763 399 A CB 0.283 19.285 19.000 0.004 0.000 1.001 399 A HN 1.725 nan 8.150 nan 0.000 0.498 400 S N 1.148 116.832 115.700 -0.026 0.000 2.447 400 S HA -0.143 4.327 4.470 0.000 0.000 0.233 400 S C 1.355 175.922 174.600 -0.055 0.000 1.006 400 S CA 1.521 59.698 58.200 -0.038 0.000 0.957 400 S CB -0.788 62.393 63.200 -0.031 0.000 0.773 400 S HN 1.127 nan 8.310 nan 0.000 0.507 401 T N -0.856 113.666 114.554 -0.053 0.000 3.100 401 T HA 0.195 4.545 4.350 0.000 0.000 0.253 401 T C 0.442 175.081 174.700 -0.100 0.000 1.118 401 T CA -0.443 61.616 62.100 -0.069 0.000 1.058 401 T CB -0.556 68.280 68.868 -0.053 0.000 0.953 401 T HN 0.199 nan 8.240 nan 0.000 0.515 402 N N 2.398 121.037 118.700 -0.101 0.000 2.454 402 N HA 0.138 4.878 4.740 0.000 0.000 0.254 402 N C 0.984 176.333 175.510 -0.268 0.000 1.228 402 N CA -0.108 52.849 53.050 -0.155 0.000 0.900 402 N CB 0.830 39.248 38.487 -0.114 0.000 1.089 402 N HN 0.236 nan 8.380 nan 0.000 0.449 403 K N 1.047 121.179 120.400 -0.446 0.000 2.356 403 K HA 0.073 4.393 4.320 0.000 0.000 0.195 403 K C -0.105 175.911 176.600 -0.973 0.000 1.037 403 K CA 0.564 56.436 56.287 -0.692 0.000 1.014 403 K CB 0.251 32.251 32.500 -0.834 0.000 0.815 403 K HN 0.541 nan 8.250 nan 0.000 0.507 404 H N 0.477 119.207 119.070 -0.566 0.000 2.747 404 H HA 0.326 4.882 4.556 0.000 0.000 0.371 404 H C -2.356 172.611 175.328 -0.602 0.000 1.161 404 H CA -2.500 53.020 56.048 -0.880 0.000 1.167 404 H CB 1.568 30.371 29.762 -1.599 0.000 1.732 404 H HN -0.128 nan 8.280 nan 0.000 0.544 405 P HA 0.011 nan 4.420 nan 0.000 0.272 405 P C 0.331 177.422 177.300 -0.349 0.000 1.240 405 P CA -0.235 62.653 63.100 -0.353 0.000 0.791 405 P CB 1.397 32.888 31.700 -0.347 0.000 0.978 406 D N 0.182 120.520 120.400 -0.105 0.000 2.144 406 D HA -0.133 4.507 4.640 0.000 0.000 0.199 406 D C 1.917 178.246 176.300 0.049 0.000 0.984 406 D CA 1.262 55.282 54.000 0.033 0.000 0.834 406 D CB -0.464 40.449 40.800 0.189 0.000 0.955 406 D HN 0.622 nan 8.370 nan 0.000 0.465 407 W N 0.134 121.510 121.300 0.127 0.000 2.392 407 W HA -0.137 4.523 4.660 -0.000 0.000 0.279 407 W C 1.853 178.452 176.519 0.134 0.000 1.225 407 W CA 0.137 57.554 57.345 0.119 0.000 1.233 407 W CB -1.196 28.328 29.460 0.107 0.000 1.122 407 W HN 0.066 nan 8.180 nan 0.000 0.561 408 W N 3.377 124.292 121.300 -0.641 0.000 2.480 408 W HA -0.054 4.606 4.660 0.000 0.000 0.299 408 W C 1.778 178.043 176.519 -0.424 0.000 1.187 408 W CA 1.221 58.122 57.345 -0.739 0.000 1.347 408 W CB -1.060 27.615 29.460 -1.308 0.000 1.121 408 W HN -0.176 nan 8.180 nan 0.000 0.533 409 N N 1.226 119.857 118.700 -0.116 0.000 2.223 409 N HA -0.189 4.551 4.740 0.000 0.000 0.185 409 N C 1.472 176.666 175.510 -0.527 0.000 1.016 409 N CA 1.815 54.576 53.050 -0.482 0.000 0.863 409 N CB -0.520 37.298 38.487 -1.115 0.000 0.983 409 N HN 0.247 nan 8.380 nan 0.000 0.429 410 E N 1.489 121.571 120.200 -0.198 0.000 2.072 410 E HA -0.050 4.300 4.350 0.000 0.000 0.191 410 E C 1.579 178.241 176.600 0.103 0.000 0.985 410 E CA 1.284 57.756 56.400 0.120 0.000 0.801 410 E CB 0.077 29.919 29.700 0.235 0.000 0.750 410 E HN 0.231 nan 8.360 nan 0.000 0.452 411 K N -0.325 120.124 120.400 0.082 0.000 2.097 411 K HA -0.066 4.254 4.320 0.000 0.000 0.205 411 K C 2.132 178.751 176.600 0.032 0.000 1.050 411 K CA 1.247 57.575 56.287 0.069 0.000 0.938 411 K CB -0.091 32.451 32.500 0.070 0.000 0.718 411 K HN 0.050 nan 8.250 nan 0.000 0.442 412 V N 2.173 122.075 119.914 -0.021 0.000 2.261 412 V HA -0.257 3.863 4.120 0.000 0.000 0.246 412 V C 2.457 178.597 176.094 0.076 0.000 1.047 412 V CA 1.671 63.971 62.300 -0.001 0.000 1.015 412 V CB -0.434 31.385 31.823 -0.006 0.000 0.642 412 V HN 0.343 nan 8.190 nan 0.000 0.446 413 K N 0.233 120.675 120.400 0.070 0.000 2.032 413 K HA -0.249 4.071 4.320 0.000 0.000 0.209 413 K C 1.990 178.658 176.600 0.115 0.000 1.048 413 K CA 2.051 58.411 56.287 0.122 0.000 0.927 413 K CB -0.257 32.386 32.500 0.238 0.000 0.712 413 K HN 0.425 nan 8.250 nan 0.000 0.441 414 N N 0.282 119.054 118.700 0.120 0.000 2.188 414 N HA -0.165 4.575 4.740 0.000 0.000 0.184 414 N C 1.728 177.298 175.510 0.100 0.000 1.018 414 N CA 1.266 54.376 53.050 0.101 0.000 0.858 414 N CB -0.562 37.989 38.487 0.107 0.000 0.989 414 N HN 0.446 nan 8.380 nan 0.000 0.426 415 H N 0.473 119.572 119.070 0.049 0.000 2.321 415 H HA 0.100 4.656 4.556 -0.000 0.000 0.300 415 H C 2.037 177.413 175.328 0.080 0.000 1.087 415 H CA 1.708 57.791 56.048 0.059 0.000 1.319 415 H CB -0.031 29.683 29.762 -0.078 0.000 1.379 415 H HN 0.087 nan 8.280 nan 0.000 0.501 416 M N -1.019 118.606 119.600 0.042 0.000 2.175 416 M HA -0.101 4.379 4.480 0.000 0.000 0.264 416 M C 2.240 178.601 176.300 0.101 0.000 1.063 416 M CA 1.448 56.783 55.300 0.059 0.000 1.119 416 M CB -0.047 32.647 32.600 0.156 0.000 1.377 416 M HN 0.370 nan 8.290 nan 0.000 0.415 417 M N 0.444 120.088 119.600 0.073 0.000 2.156 417 M HA -0.147 4.333 4.480 0.000 0.000 0.264 417 M C 1.850 178.150 176.300 -0.001 0.000 1.067 417 M CA 1.948 57.297 55.300 0.081 0.000 1.131 417 M CB -0.119 32.505 32.600 0.040 0.000 1.368 417 M HN 0.147 nan 8.290 nan 0.000 0.416 418 Q N -1.295 118.434 119.800 -0.118 0.000 2.389 418 Q HA 0.005 4.345 4.340 0.000 0.000 0.204 418 Q C -0.164 175.505 176.000 -0.553 0.000 0.944 418 Q CA 0.620 56.238 55.803 -0.308 0.000 0.908 418 Q CB 0.270 28.803 28.738 -0.341 0.000 1.002 418 Q HN 0.528 nan 8.270 nan 0.000 0.493 419 H N 0.138 119.123 119.070 -0.141 0.000 2.380 419 H HA 0.191 4.747 4.556 0.000 0.000 0.231 419 H C -0.047 175.197 175.328 -0.139 0.000 1.415 419 H CA -0.087 55.878 56.048 -0.139 0.000 1.433 419 H CB 0.550 30.177 29.762 -0.225 0.000 1.544 419 H HN 0.239 nan 8.280 nan 0.000 0.503 420 Q N 0.676 120.460 119.800 -0.026 0.000 2.436 420 Q HA -0.095 4.245 4.340 0.000 0.000 0.209 420 Q C 1.808 177.742 176.000 -0.109 0.000 0.965 420 Q CA 0.684 56.418 55.803 -0.115 0.000 0.910 420 Q CB 0.461 29.069 28.738 -0.216 0.000 0.980 420 Q HN 0.514 nan 8.270 nan 0.000 0.491 421 E N 1.040 121.230 120.200 -0.016 0.000 2.435 421 E HA -0.090 4.260 4.350 0.000 0.000 0.195 421 E C -0.410 176.218 176.600 0.047 0.000 1.029 421 E CA 0.448 56.853 56.400 0.008 0.000 0.865 421 E CB 0.081 29.805 29.700 0.041 0.000 0.833 421 E HN 0.156 nan 8.360 nan 0.000 0.510 422 D N 2.078 122.523 120.400 0.076 0.000 2.232 422 D HA 0.137 4.777 4.640 0.000 0.000 0.242 422 D C -1.579 174.774 176.300 0.088 0.000 1.093 422 D CA -2.118 51.958 54.000 0.126 0.000 0.845 422 D CB 1.630 42.549 40.800 0.198 0.000 1.124 422 D HN -0.163 nan 8.370 nan 0.000 0.467 423 P HA 0.095 nan 4.420 nan 0.000 0.249 423 P C -0.248 177.089 177.300 0.061 0.000 1.229 423 P CA 0.194 63.328 63.100 0.057 0.000 0.788 423 P CB 0.366 32.091 31.700 0.042 0.000 1.072 424 L N 1.515 122.783 121.223 0.074 0.000 2.334 424 L HA 0.388 4.728 4.340 0.000 0.000 0.272 424 L C -1.386 175.498 176.870 0.023 0.000 1.020 424 L CA -2.273 52.580 54.840 0.022 0.000 0.812 424 L CB 2.257 44.296 42.059 -0.033 0.000 1.264 424 L HN -0.316 nan 8.230 nan 0.000 0.439 425 P HA 0.098 nan 4.420 nan 0.000 0.251 425 P C 0.200 177.360 177.300 -0.233 0.000 1.223 425 P CA 0.562 63.646 63.100 -0.027 0.000 0.796 425 P CB 0.434 32.135 31.700 0.001 0.000 1.068 426 I N 2.082 122.420 120.570 -0.387 0.000 2.371 426 I HA 0.227 4.397 4.170 0.000 0.000 0.290 426 I C -2.180 173.433 176.117 -0.839 0.000 1.028 426 I CA -2.787 58.232 61.300 -0.469 0.000 1.345 426 I CB 0.788 38.597 38.000 -0.319 0.000 1.407 426 I HN -0.264 nan 8.210 nan 0.000 0.501 427 P HA -0.014 nan 4.420 nan 0.000 0.267 427 P C 0.333 177.385 177.300 -0.414 0.000 1.200 427 P CA 0.038 62.773 63.100 -0.607 0.000 0.772 427 P CB 0.340 31.928 31.700 -0.186 0.000 0.855 428 F N 0.939 120.802 119.950 -0.145 0.000 2.161 428 F HA -0.151 4.376 4.527 0.000 0.000 0.300 428 F C 1.730 177.499 175.800 -0.052 0.000 1.089 428 F CA 1.663 59.610 58.000 -0.087 0.000 1.282 428 F CB -0.917 38.047 39.000 -0.060 0.000 1.010 428 F HN 0.427 nan 8.300 nan 0.000 0.485 429 E N -0.600 119.686 120.200 0.144 0.000 2.465 429 E HA 0.003 4.353 4.350 0.000 0.000 0.195 429 E C -0.228 176.395 176.600 0.038 0.000 1.028 429 E CA -0.261 56.195 56.400 0.094 0.000 0.899 429 E CB -0.133 29.626 29.700 0.098 0.000 1.032 429 E HN 0.147 nan 8.360 nan 0.000 0.468 430 D N 2.350 122.748 120.400 -0.003 0.000 2.472 430 D HA 0.011 4.651 4.640 0.000 0.000 0.248 430 D C -2.305 174.008 176.300 0.021 0.000 1.174 430 D CA -1.417 52.567 54.000 -0.026 0.000 0.883 430 D CB 0.747 41.489 40.800 -0.096 0.000 1.149 430 D HN -0.119 nan 8.370 nan 0.000 0.488 431 P HA 0.052 nan 4.420 nan 0.000 0.270 431 P C -0.371 177.041 177.300 0.187 0.000 1.223 431 P CA -0.351 62.835 63.100 0.144 0.000 0.785 431 P CB 0.385 32.163 31.700 0.131 0.000 0.923 432 E N 2.316 122.647 120.200 0.218 0.000 2.408 432 E HA 0.156 4.506 4.350 0.000 0.000 0.259 432 E C -2.493 174.159 176.600 0.087 0.000 1.110 432 E CA -1.823 54.642 56.400 0.109 0.000 0.929 432 E CB -0.946 28.783 29.700 0.048 0.000 0.971 432 E HN 0.205 nan 8.360 nan 0.000 0.438 433 P HA 0.060 nan 4.420 nan 0.000 0.269 433 P C -0.542 176.756 177.300 -0.004 0.000 1.215 433 P CA 0.122 63.288 63.100 0.111 0.000 0.780 433 P CB 0.361 32.066 31.700 0.007 0.000 0.898 434 Q N 0.950 120.835 119.800 0.142 0.000 3.429 434 Q HA 0.313 4.653 4.340 0.000 0.000 0.237 434 Q C -1.235 174.836 176.000 0.119 0.000 0.932 434 Q CA -0.267 55.481 55.803 -0.092 0.000 0.731 434 Q CB 1.247 29.635 28.738 -0.583 0.000 1.383 434 Q HN 0.168 nan 8.270 nan 0.000 0.446 435 V N 0.672 120.621 119.914 0.058 0.000 2.581 435 V HA 0.735 4.855 4.120 0.000 0.000 0.303 435 V C 0.130 176.238 176.094 0.025 0.000 1.041 435 V CA -0.412 61.932 62.300 0.072 0.000 0.907 435 V CB 2.092 33.899 31.823 -0.026 0.000 0.994 435 V HN 0.483 nan 8.190 nan 0.000 0.442 436 T N 1.701 116.304 114.554 0.083 0.000 2.900 436 T HA 0.487 4.837 4.350 0.000 0.000 0.303 436 T C -0.928 173.708 174.700 -0.106 0.000 1.142 436 T CA -0.320 61.769 62.100 -0.017 0.000 1.007 436 T CB 1.901 70.743 68.868 -0.042 0.000 1.156 436 T HN 0.813 nan 8.240 nan 0.000 0.490 437 T N 4.416 118.735 114.554 -0.392 0.000 2.772 437 T HA 0.606 4.956 4.350 0.000 0.000 0.288 437 T C -0.066 174.476 174.700 -0.262 0.000 0.994 437 T CA -0.599 61.106 62.100 -0.658 0.000 0.951 437 T CB -0.216 67.760 68.868 -1.486 0.000 0.933 437 T HN 0.505 nan 8.240 nan 0.000 0.447 438 L N 4.282 125.437 121.223 -0.113 0.000 2.464 438 L HA 0.404 4.744 4.340 0.000 0.000 0.264 438 L C 0.751 177.627 176.870 0.011 0.000 1.199 438 L CA -0.947 53.913 54.840 0.034 0.000 0.818 438 L CB 0.208 42.288 42.059 0.034 0.000 1.102 438 L HN 0.615 nan 8.230 nan 0.000 0.473 439 F N 2.590 122.471 119.950 -0.115 0.000 2.604 439 F HA -0.074 4.453 4.527 -0.000 0.000 0.390 439 F C 0.263 175.808 175.800 -0.426 0.000 1.053 439 F CA 0.558 58.400 58.000 -0.265 0.000 1.256 439 F CB 0.103 38.998 39.000 -0.174 0.000 0.996 439 F HN 0.374 nan 8.300 nan 0.000 0.564 440 Q N 6.640 125.931 119.800 -0.849 0.000 2.456 440 Q HA 0.255 4.595 4.340 0.000 0.000 0.284 440 Q C -2.043 173.518 176.000 -0.732 0.000 1.061 440 Q CA -1.801 53.596 55.803 -0.676 0.000 0.799 440 Q CB 1.402 29.642 28.738 -0.831 0.000 1.445 440 Q HN 0.250 nan 8.270 nan 0.000 0.411 441 P HA -0.222 nan 4.420 nan 0.000 0.216 441 P C 1.229 178.314 177.300 -0.357 0.000 1.154 441 P CA 2.199 65.131 63.100 -0.280 0.000 0.865 441 P CB 0.202 31.823 31.700 -0.130 0.000 0.789 442 S N -1.769 113.723 115.700 -0.346 0.000 2.562 442 S HA -0.083 4.387 4.470 0.000 0.000 0.221 442 S C 0.463 174.884 174.600 -0.298 0.000 0.975 442 S CA 0.067 58.134 58.200 -0.221 0.000 0.918 442 S CB -1.229 61.940 63.200 -0.051 0.000 0.772 442 S HN 0.427 nan 8.310 nan 0.000 0.531 443 H N -1.258 117.380 119.070 -0.720 0.000 2.562 443 H HA 0.463 5.019 4.556 0.000 0.000 0.230 443 H C -3.244 170.918 175.328 -1.943 0.000 1.415 443 H CA -1.792 53.449 56.048 -1.346 0.000 1.454 443 H CB 0.369 29.633 29.762 -0.829 0.000 1.716 443 H HN 0.070 nan 8.280 nan 0.000 0.538 444 P HA 0.074 nan 4.420 nan 0.000 0.226 444 P C -1.241 175.391 177.300 -1.113 0.000 1.783 444 P CA 0.237 62.183 63.100 -1.924 0.000 0.980 444 P CB -1.077 30.072 31.700 -0.919 0.000 1.967 445 W N -0.371 120.592 121.300 -0.562 0.000 3.213 445 W HA 0.503 5.163 4.660 0.000 0.000 0.318 445 W C -0.845 175.762 176.519 0.147 0.000 1.248 445 W CA -1.268 56.093 57.345 0.027 0.000 1.187 445 W CB 0.067 29.566 29.460 0.065 0.000 1.403 445 W HN -0.001 nan 8.180 nan 0.000 0.556 446 H N 1.165 120.511 119.070 0.459 0.000 2.511 446 H HA 0.675 5.231 4.556 0.000 0.000 0.346 446 H C -0.114 175.371 175.328 0.261 0.000 1.128 446 H CA 0.494 56.714 56.048 0.287 0.000 1.342 446 H CB 1.397 31.284 29.762 0.208 0.000 1.470 446 H HN 0.563 nan 8.280 nan 0.000 0.546 447 T N 2.168 116.354 114.554 -0.614 0.000 2.876 447 T HA 0.506 4.856 4.350 0.000 0.000 0.289 447 T C -0.705 173.677 174.700 -0.530 0.000 1.014 447 T CA -1.114 60.648 62.100 -0.564 0.000 0.986 447 T CB 1.635 70.073 68.868 -0.717 0.000 1.021 447 T HN 0.672 nan 8.240 nan 0.000 0.458 448 Q N 1.760 121.464 119.800 -0.161 0.000 2.274 448 Q HA 0.543 4.883 4.340 0.000 0.000 0.268 448 Q C -1.219 174.692 176.000 -0.148 0.000 1.015 448 Q CA -0.559 55.081 55.803 -0.273 0.000 0.775 448 Q CB 2.452 30.915 28.738 -0.459 0.000 1.256 448 Q HN 0.718 nan 8.270 nan 0.000 0.442 449 I N 3.863 124.302 120.570 -0.217 0.000 2.537 449 I HA 0.354 4.524 4.170 0.000 0.000 0.276 449 I C -0.379 175.625 176.117 -0.188 0.000 1.063 449 I CA -0.278 60.770 61.300 -0.420 0.000 1.144 449 I CB 0.318 37.944 38.000 -0.623 0.000 1.252 449 I HN 0.753 nan 8.210 nan 0.000 0.480 450 H N 3.600 122.489 119.070 -0.303 0.000 3.234 450 H HA 0.675 5.231 4.556 0.000 0.000 0.280 450 H C -1.140 174.115 175.328 -0.122 0.000 1.601 450 H CA -1.332 54.608 56.048 -0.180 0.000 1.198 450 H CB 1.418 31.097 29.762 -0.139 0.000 1.840 450 H HN 0.085 nan 8.280 nan 0.000 0.681 451 R N 1.135 121.455 120.500 -0.300 0.000 2.628 451 R HA 0.292 4.632 4.340 0.000 0.000 0.288 451 R C -1.454 174.598 176.300 -0.413 0.000 0.980 451 R CA -0.572 55.337 56.100 -0.319 0.000 0.891 451 R CB 1.907 32.150 30.300 -0.094 0.000 1.188 451 R HN 0.951 nan 8.270 nan 0.000 0.450 452 D N 0.273 120.461 120.400 -0.353 0.000 2.714 452 D HA 0.433 5.073 4.640 0.000 0.000 0.278 452 D C -0.663 175.631 176.300 -0.011 0.000 1.102 452 D CA -0.771 53.118 54.000 -0.185 0.000 1.108 452 D CB 0.612 41.308 40.800 -0.174 0.000 1.444 452 D HN 0.390 nan 8.370 nan 0.000 0.568 453 A N -0.300 122.537 122.820 0.028 0.000 2.567 453 A HA 0.392 4.712 4.320 0.000 0.000 0.240 453 A C -0.808 176.851 177.584 0.125 0.000 1.053 453 A CA 0.208 52.308 52.037 0.105 0.000 0.755 453 A CB -0.831 18.264 19.000 0.159 0.000 0.978 453 A HN 0.450 nan 8.150 nan 0.000 0.507 454 F N 1.782 121.686 119.950 -0.078 0.000 2.591 454 F HA 0.462 4.989 4.527 0.000 0.000 0.309 454 F C 0.271 175.877 175.800 -0.323 0.000 1.098 454 F CA -0.291 57.547 58.000 -0.270 0.000 0.937 454 F CB 2.083 40.816 39.000 -0.445 0.000 1.250 454 F HN 0.409 nan 8.300 nan 0.000 0.447 455 S N 4.828 119.968 115.700 -0.933 0.000 2.473 455 S HA 0.357 4.827 4.470 0.000 0.000 0.312 455 S C -1.116 173.200 174.600 -0.473 0.000 1.087 455 S CA -0.213 57.650 58.200 -0.562 0.000 1.077 455 S CB -0.546 62.342 63.200 -0.520 0.000 1.065 455 S HN 0.438 nan 8.310 nan 0.000 0.510 456 Y N 2.667 123.036 120.300 0.114 0.000 2.359 456 Y HA 0.408 4.958 4.550 -0.000 0.000 0.334 456 Y C 1.406 177.366 175.900 0.101 0.000 1.058 456 Y CA -0.193 58.036 58.100 0.215 0.000 1.244 456 Y CB 0.580 39.171 38.460 0.218 0.000 1.187 456 Y HN 0.687 nan 8.280 nan 0.000 0.510 457 G N 1.287 110.234 108.800 0.246 0.000 2.559 457 G HA2 0.218 4.178 3.960 0.000 0.000 0.235 457 G HA3 0.218 4.178 3.960 0.000 0.000 0.235 457 G C 0.975 175.965 174.900 0.149 0.000 1.266 457 G CA -0.013 45.176 45.100 0.149 0.000 0.847 457 G HN 0.959 nan 8.290 nan 0.000 0.583 458 A N 1.300 124.177 122.820 0.094 0.000 1.997 458 A HA -0.105 4.215 4.320 0.000 0.000 0.221 458 A C 2.509 180.137 177.584 0.072 0.000 1.172 458 A CA 2.195 54.277 52.037 0.074 0.000 0.645 458 A CB -0.444 18.586 19.000 0.050 0.000 0.813 458 A HN 0.617 nan 8.150 nan 0.000 0.454 459 V N -0.481 119.480 119.914 0.079 0.000 2.323 459 V HA -0.271 3.849 4.120 0.000 0.000 0.244 459 V C 2.565 178.708 176.094 0.082 0.000 1.041 459 V CA 2.047 64.389 62.300 0.070 0.000 1.025 459 V CB -0.933 30.930 31.823 0.066 0.000 0.656 459 V HN 0.644 nan 8.190 nan 0.000 0.451 460 Q N -0.208 119.672 119.800 0.133 0.000 2.170 460 Q HA -0.242 4.098 4.340 0.000 0.000 0.203 460 Q C 2.179 178.213 176.000 0.056 0.000 0.976 460 Q CA 1.359 57.254 55.803 0.152 0.000 0.858 460 Q CB -0.223 28.725 28.738 0.349 0.000 0.907 460 Q HN 0.680 nan 8.270 nan 0.000 0.433 461 Q N -0.157 119.684 119.800 0.069 0.000 2.541 461 Q HA -0.060 4.280 4.340 0.000 0.000 0.215 461 Q C 1.847 177.836 176.000 -0.017 0.000 0.977 461 Q CA 0.431 56.232 55.803 -0.003 0.000 0.934 461 Q CB 0.017 28.787 28.738 0.054 0.000 0.988 461 Q HN 0.154 nan 8.270 nan 0.000 0.521 462 S N -0.027 115.675 115.700 0.003 0.000 2.453 462 S HA -0.019 4.451 4.470 0.000 0.000 0.231 462 S C 0.801 175.391 174.600 -0.017 0.000 1.005 462 S CA 0.262 58.462 58.200 0.000 0.000 0.949 462 S CB 0.257 63.465 63.200 0.014 0.000 0.774 462 S HN 0.164 nan 8.310 nan 0.000 0.510 463 I N 2.752 123.298 120.570 -0.039 0.000 2.331 463 I HA 0.240 4.410 4.170 0.000 0.000 0.292 463 I C 0.302 176.372 176.117 -0.079 0.000 0.998 463 I CA -0.798 60.473 61.300 -0.049 0.000 1.267 463 I CB 0.870 38.840 38.000 -0.050 0.000 1.386 463 I HN 0.143 nan 8.210 nan 0.000 0.476 464 D N 4.043 124.416 120.400 -0.045 0.000 2.520 464 D HA -0.111 4.529 4.640 0.000 0.000 0.243 464 D C 1.239 177.497 176.300 -0.071 0.000 1.160 464 D CA 0.432 54.409 54.000 -0.038 0.000 0.877 464 D CB 1.035 41.834 40.800 -0.000 0.000 1.150 464 D HN 0.622 nan 8.370 nan 0.000 0.494 465 S N 4.193 119.840 115.700 -0.089 0.000 2.402 465 S HA -0.214 4.256 4.470 0.000 0.000 0.233 465 S C 1.756 176.324 174.600 -0.053 0.000 1.030 465 S CA 1.191 59.325 58.200 -0.110 0.000 1.003 465 S CB 0.072 63.221 63.200 -0.084 0.000 0.813 465 S HN 0.541 nan 8.310 nan 0.000 0.477 466 R N 0.180 120.664 120.500 -0.027 0.000 2.193 466 R HA 0.042 4.382 4.340 0.000 0.000 0.229 466 R C 1.998 178.275 176.300 -0.037 0.000 1.110 466 R CA 1.266 57.347 56.100 -0.033 0.000 0.988 466 R CB -0.340 29.930 30.300 -0.051 0.000 0.871 466 R HN 0.453 nan 8.270 nan 0.000 0.458 467 L N 0.297 121.500 121.223 -0.034 0.000 2.418 467 L HA 0.105 4.445 4.340 0.000 0.000 0.218 467 L C 0.774 177.640 176.870 -0.007 0.000 1.125 467 L CA 0.213 55.040 54.840 -0.021 0.000 0.835 467 L CB 0.036 42.083 42.059 -0.021 0.000 0.953 467 L HN 0.061 nan 8.230 nan 0.000 0.454 468 I N 0.317 120.875 120.570 -0.019 0.000 2.365 468 I HA 0.196 4.366 4.170 0.000 0.000 0.291 468 I C -0.522 175.606 176.117 0.018 0.000 1.004 468 I CA -0.302 61.000 61.300 0.003 0.000 1.311 468 I CB 1.620 39.601 38.000 -0.031 0.000 1.401 468 I HN -0.277 nan 8.210 nan 0.000 0.491 469 V N 5.028 124.976 119.914 0.058 0.000 2.656 469 V HA 0.323 4.443 4.120 0.000 0.000 0.307 469 V C -0.703 175.392 176.094 0.002 0.000 1.051 469 V CA -0.875 61.426 62.300 0.001 0.000 0.893 469 V CB 2.057 33.879 31.823 -0.003 0.000 0.999 469 V HN 0.584 nan 8.190 nan 0.000 0.426 470 D N 2.539 122.870 120.400 -0.116 0.000 2.210 470 D HA 0.440 5.080 4.640 0.000 0.000 0.249 470 D C -0.991 175.224 176.300 -0.141 0.000 1.062 470 D CA 0.057 54.026 54.000 -0.052 0.000 0.891 470 D CB 1.315 42.106 40.800 -0.015 0.000 1.186 470 D HN 0.448 nan 8.370 nan 0.000 0.432 471 W N 1.317 122.584 121.300 -0.055 0.000 2.538 471 W HA 0.437 5.097 4.660 0.000 0.000 0.322 471 W C 0.198 176.751 176.519 0.055 0.000 1.028 471 W CA -0.844 56.513 57.345 0.021 0.000 1.228 471 W CB 1.248 30.607 29.460 -0.169 0.000 1.356 471 W HN -0.078 nan 8.180 nan 0.000 0.452 472 R N 3.064 123.800 120.500 0.392 0.000 2.483 472 R HA 0.497 4.837 4.340 0.000 0.000 0.303 472 R C -1.539 174.948 176.300 0.313 0.000 0.987 472 R CA -0.872 55.352 56.100 0.207 0.000 0.881 472 R CB 1.634 32.020 30.300 0.144 0.000 1.177 472 R HN 0.167 nan 8.270 nan 0.000 0.451 473 F N 2.992 122.803 119.950 -0.231 0.000 2.458 473 F HA 0.506 5.033 4.527 0.000 0.000 0.336 473 F C -0.292 175.405 175.800 -0.171 0.000 1.114 473 F CA -1.493 56.456 58.000 -0.084 0.000 0.987 473 F CB 1.072 39.986 39.000 -0.143 0.000 1.130 473 F HN 0.297 nan 8.300 nan 0.000 0.458 474 F N 1.273 121.415 119.950 0.319 0.000 2.477 474 F HA 0.660 5.187 4.527 0.000 0.000 0.335 474 F C 0.619 176.634 175.800 0.358 0.000 1.130 474 F CA -1.116 57.074 58.000 0.317 0.000 0.948 474 F CB 1.514 40.747 39.000 0.388 0.000 1.154 474 F HN 0.519 nan 8.300 nan 0.000 0.439 475 G N 2.066 111.124 108.800 0.430 0.000 2.488 475 G HA2 0.653 4.613 3.960 0.000 0.000 0.318 475 G HA3 0.653 4.613 3.960 0.000 0.000 0.318 475 G C -0.860 174.243 174.900 0.339 0.000 1.188 475 G CA -1.075 44.267 45.100 0.402 0.000 0.944 475 G HN 0.695 nan 8.290 nan 0.000 0.495 476 R N -0.861 119.835 120.500 0.326 0.000 2.486 476 R HA 0.664 5.005 4.340 0.000 0.000 0.286 476 R C -0.973 175.429 176.300 0.170 0.000 0.999 476 R CA -0.575 55.630 56.100 0.175 0.000 0.993 476 R CB 1.265 31.674 30.300 0.181 0.000 1.084 476 R HN 0.267 nan 8.270 nan 0.000 0.487 477 T N 1.730 116.349 114.554 0.109 0.000 2.792 477 T HA 0.119 4.469 4.350 0.000 0.000 0.280 477 T C -0.714 174.066 174.700 0.133 0.000 0.990 477 T CA -0.627 61.590 62.100 0.195 0.000 0.960 477 T CB 1.327 70.388 68.868 0.320 0.000 0.939 477 T HN 0.643 nan 8.240 nan 0.000 0.439 478 E N 4.654 124.935 120.200 0.135 0.000 2.465 478 E HA 0.070 4.420 4.350 0.000 0.000 0.260 478 E C -2.086 174.588 176.600 0.124 0.000 0.980 478 E CA -1.464 55.004 56.400 0.114 0.000 0.927 478 E CB 0.511 30.269 29.700 0.097 0.000 0.934 478 E HN 0.211 nan 8.360 nan 0.000 0.459 479 P HA 0.105 nan 4.420 nan 0.000 0.276 479 P C -1.226 176.229 177.300 0.258 0.000 1.243 479 P CA 0.099 63.335 63.100 0.227 0.000 0.768 479 P CB 0.685 32.538 31.700 0.255 0.000 0.856 480 K N 2.675 123.171 120.400 0.159 0.000 2.443 480 K HA 0.162 4.482 4.320 0.000 0.000 0.252 480 K C 0.968 177.399 176.600 -0.282 0.000 0.933 480 K CA -0.703 55.593 56.287 0.015 0.000 0.792 480 K CB 2.283 34.748 32.500 -0.058 0.000 1.185 480 K HN 0.461 nan 8.250 nan 0.000 0.425 481 E N 2.203 122.069 120.200 -0.556 0.000 2.130 481 E HA -0.246 4.104 4.350 0.000 0.000 0.196 481 E C 1.011 177.347 176.600 -0.440 0.000 0.998 481 E CA 1.705 57.536 56.400 -0.948 0.000 0.806 481 E CB 0.480 29.856 29.700 -0.540 0.000 0.738 481 E HN 0.560 nan 8.360 nan 0.000 0.459 482 E N 0.335 120.388 120.200 -0.245 0.000 2.347 482 E HA -0.113 4.237 4.350 0.000 0.000 0.196 482 E C 0.040 176.578 176.600 -0.103 0.000 1.008 482 E CA 0.342 56.654 56.400 -0.146 0.000 0.852 482 E CB -0.272 29.360 29.700 -0.113 0.000 0.783 482 E HN 0.081 nan 8.360 nan 0.000 0.505 483 N N 2.071 120.699 118.700 -0.120 0.000 2.411 483 N HA 0.166 4.906 4.740 0.000 0.000 0.259 483 N C -0.742 174.827 175.510 0.099 0.000 1.103 483 N CA 0.152 53.190 53.050 -0.020 0.000 0.954 483 N CB 1.108 39.550 38.487 -0.075 0.000 1.085 483 N HN 0.122 nan 8.380 nan 0.000 0.485 484 K N 1.245 121.757 120.400 0.187 0.000 2.375 484 K HA 0.448 4.768 4.320 0.000 0.000 0.249 484 K C -1.011 175.741 176.600 0.253 0.000 0.942 484 K CA -0.931 55.486 56.287 0.217 0.000 0.806 484 K CB 2.394 35.033 32.500 0.232 0.000 1.227 484 K HN 0.181 nan 8.250 nan 0.000 0.430 485 L N 4.313 125.629 121.223 0.155 0.000 2.280 485 L HA 0.534 4.874 4.340 0.000 0.000 0.287 485 L C -1.190 175.601 176.870 -0.131 0.000 1.023 485 L CA -0.071 54.687 54.840 -0.136 0.000 0.819 485 L CB 0.367 42.352 42.059 -0.122 0.000 1.212 485 L HN 0.690 nan 8.230 nan 0.000 0.420 486 W N 3.668 124.685 121.300 -0.472 0.000 2.967 486 W HA 0.636 5.296 4.660 -0.000 0.000 0.342 486 W C -2.107 173.980 176.519 -0.720 0.000 1.162 486 W CA -1.244 55.875 57.345 -0.376 0.000 1.085 486 W CB 0.877 30.269 29.460 -0.114 0.000 1.460 486 W HN 0.311 nan 8.180 nan 0.000 0.584 487 F N 1.490 121.625 119.950 0.308 0.000 2.518 487 F HA 0.329 4.856 4.527 0.000 0.000 0.323 487 F C 0.790 176.750 175.800 0.267 0.000 1.129 487 F CA -0.900 57.161 58.000 0.101 0.000 0.920 487 F CB 2.082 41.119 39.000 0.062 0.000 1.160 487 F HN 0.255 nan 8.300 nan 0.000 0.440 488 S N 1.181 117.025 115.700 0.240 0.000 2.560 488 S HA 0.031 4.501 4.470 0.000 0.000 0.284 488 S C 0.789 175.539 174.600 0.250 0.000 1.327 488 S CA -0.434 57.941 58.200 0.292 0.000 1.055 488 S CB 0.354 63.630 63.200 0.128 0.000 0.868 488 S HN 0.703 nan 8.310 nan 0.000 0.506 489 D N 2.759 123.291 120.400 0.221 0.000 2.339 489 D HA 0.105 4.745 4.640 0.000 0.000 0.217 489 D C 0.916 177.279 176.300 0.104 0.000 1.050 489 D CA 0.375 54.459 54.000 0.141 0.000 0.856 489 D CB 0.168 41.033 40.800 0.109 0.000 0.922 489 D HN 0.508 nan 8.370 nan 0.000 0.518 490 K N -0.237 120.228 120.400 0.109 0.000 2.485 490 K HA 0.112 4.432 4.320 0.000 0.000 0.200 490 K C 0.074 176.719 176.600 0.074 0.000 1.344 490 K CA -0.199 56.138 56.287 0.082 0.000 0.948 490 K CB 0.883 33.430 32.500 0.079 0.000 1.454 490 K HN -0.063 nan 8.250 nan 0.000 0.502 491 I N 3.718 124.335 120.570 0.078 0.000 2.519 491 I HA 0.110 4.280 4.170 0.000 0.000 0.287 491 I C 0.445 176.600 176.117 0.063 0.000 1.047 491 I CA 0.097 61.432 61.300 0.059 0.000 1.381 491 I CB 1.008 39.031 38.000 0.038 0.000 1.417 491 I HN 0.236 nan 8.210 nan 0.000 0.540 492 T N 1.349 115.937 114.554 0.057 0.000 2.908 492 T HA 0.563 4.913 4.350 0.000 0.000 0.290 492 T C -0.263 174.476 174.700 0.066 0.000 1.034 492 T CA -0.938 61.203 62.100 0.068 0.000 1.010 492 T CB 2.313 71.219 68.868 0.062 0.000 1.068 492 T HN 0.550 nan 8.240 nan 0.000 0.481 493 D N 1.169 121.627 120.400 0.095 0.000 2.453 493 D HA 0.443 5.083 4.640 0.000 0.000 0.282 493 D C 1.613 177.965 176.300 0.086 0.000 1.222 493 D CA -0.395 53.667 54.000 0.105 0.000 1.079 493 D CB -0.239 40.661 40.800 0.167 0.000 1.128 493 D HN 0.627 nan 8.370 nan 0.000 0.568 494 A N -1.687 121.188 122.820 0.091 0.000 2.119 494 A HA -0.051 4.269 4.320 0.000 0.000 0.217 494 A C 1.065 178.518 177.584 -0.218 0.000 1.153 494 A CA 0.696 52.697 52.037 -0.060 0.000 0.692 494 A CB -0.857 18.088 19.000 -0.093 0.000 0.799 494 A HN 0.524 nan 8.150 nan 0.000 0.458 495 Y N -1.043 119.280 120.300 0.038 0.000 2.658 495 Y HA 0.241 4.791 4.550 0.000 0.000 0.276 495 Y C 0.661 176.590 175.900 0.049 0.000 1.167 495 Y CA -0.365 57.759 58.100 0.039 0.000 1.230 495 Y CB -0.361 38.110 38.460 0.018 0.000 1.144 495 Y HN 0.432 nan 8.280 nan 0.000 0.529 496 N N -0.001 118.773 118.700 0.123 0.000 2.725 496 N HA -0.177 4.563 4.740 0.000 0.000 0.249 496 N C -0.689 174.879 175.510 0.096 0.000 1.103 496 N CA 0.614 53.717 53.050 0.089 0.000 0.707 496 N CB -0.449 38.075 38.487 0.063 0.000 1.043 496 N HN 0.151 nan 8.380 nan 0.000 0.553 497 M N -0.396 119.278 119.600 0.124 0.000 2.598 497 M HA 0.436 4.916 4.480 0.000 0.000 0.317 497 M C -2.144 174.224 176.300 0.113 0.000 1.201 497 M CA -2.046 53.315 55.300 0.101 0.000 0.971 497 M CB 0.750 33.415 32.600 0.108 0.000 1.657 497 M HN -0.269 nan 8.290 nan 0.000 0.470 498 P HA -0.007 nan 4.420 nan 0.000 0.261 498 P C -0.631 176.825 177.300 0.261 0.000 1.183 498 P CA 0.111 63.310 63.100 0.165 0.000 0.761 498 P CB 0.227 32.026 31.700 0.165 0.000 0.785 499 Q N 7.109 127.004 119.800 0.157 0.000 2.271 499 Q HA 0.147 4.487 4.340 0.000 0.000 0.273 499 Q C -2.233 173.715 176.000 -0.088 0.000 1.051 499 Q CA -1.833 54.006 55.803 0.060 0.000 0.901 499 Q CB -0.171 28.560 28.738 -0.012 0.000 1.174 499 Q HN 0.297 nan 8.270 nan 0.000 0.385 500 P HA 0.118 nan 4.420 nan 0.000 0.271 500 P C -1.049 175.733 177.300 -0.862 0.000 1.216 500 P CA -0.166 62.468 63.100 -0.778 0.000 0.776 500 P CB 1.105 32.450 31.700 -0.592 0.000 0.881 501 T N 3.021 116.830 114.554 -1.242 0.000 2.916 501 T HA 0.504 4.854 4.350 0.000 0.000 0.298 501 T C -0.589 173.400 174.700 -1.184 0.000 1.031 501 T CA -0.098 61.286 62.100 -1.193 0.000 0.993 501 T CB 0.507 68.339 68.868 -1.726 0.000 1.045 501 T HN 0.057 nan 8.240 nan 0.000 0.454 502 F N 1.861 121.530 119.950 -0.468 0.000 2.397 502 F HA 0.537 5.064 4.527 -0.000 0.000 0.331 502 F C 0.668 176.417 175.800 -0.084 0.000 1.090 502 F CA -0.940 56.911 58.000 -0.249 0.000 1.065 502 F CB 1.110 40.013 39.000 -0.162 0.000 1.184 502 F HN 0.388 nan 8.300 nan 0.000 0.499 503 D N 2.982 123.558 120.400 0.292 0.000 2.375 503 D HA 0.226 4.866 4.640 0.000 0.000 0.259 503 D C -1.789 174.657 176.300 0.243 0.000 1.235 503 D CA -0.080 54.077 54.000 0.262 0.000 0.924 503 D CB 0.377 41.358 40.800 0.301 0.000 1.143 503 D HN 0.280 nan 8.370 nan 0.000 0.529 504 F N 3.145 123.095 119.950 -0.000 0.000 2.581 504 F HA 0.608 5.135 4.527 -0.000 0.000 0.311 504 F C -1.265 174.439 175.800 -0.161 0.000 1.113 504 F CA -0.596 57.339 58.000 -0.109 0.000 0.935 504 F CB 1.421 40.292 39.000 -0.216 0.000 1.232 504 F HN 0.012 nan 8.300 nan 0.000 0.445 505 R N 4.256 124.272 120.500 -0.808 0.000 2.698 505 R HA 0.351 4.691 4.340 0.000 0.000 0.275 505 R C -1.669 174.012 176.300 -1.033 0.000 1.001 505 R CA -0.948 54.788 56.100 -0.607 0.000 0.896 505 R CB 1.658 31.799 30.300 -0.265 0.000 1.218 505 R HN 0.605 nan 8.270 nan 0.000 0.462 506 F N 2.995 122.729 119.950 -0.361 0.000 2.578 506 F HA 0.175 4.702 4.527 -0.000 0.000 0.381 506 F C -1.276 174.393 175.800 -0.218 0.000 1.069 506 F CA -1.011 56.851 58.000 -0.230 0.000 1.231 506 F CB -0.093 38.906 39.000 -0.001 0.000 1.086 506 F HN 0.143 nan 8.300 nan 0.000 0.564 507 P HA 0.101 nan 4.420 nan 0.000 0.266 507 P C -0.609 176.702 177.300 0.018 0.000 1.195 507 P CA -0.160 62.915 63.100 -0.041 0.000 0.768 507 P CB 0.545 32.233 31.700 -0.020 0.000 0.838 508 A N 2.713 125.530 122.820 -0.004 0.000 2.448 508 A HA 0.516 4.836 4.320 0.000 0.000 0.239 508 A C 1.124 178.722 177.584 0.022 0.000 1.080 508 A CA 0.935 52.976 52.037 0.007 0.000 0.779 508 A CB -1.017 17.980 19.000 -0.004 0.000 1.026 508 A HN 0.836 nan 8.150 nan 0.000 0.499 509 G N 0.235 109.050 108.800 0.026 0.000 2.513 509 G HA2 -0.230 3.730 3.960 0.000 0.000 0.227 509 G HA3 -0.230 3.730 3.960 0.000 0.000 0.227 509 G C 1.004 175.934 174.900 0.051 0.000 1.176 509 G CA 0.672 45.794 45.100 0.035 0.000 0.967 509 G HN 1.037 nan 8.290 nan 0.000 0.587 510 R N -0.061 120.476 120.500 0.061 0.000 2.103 510 R HA -0.100 4.240 4.340 0.000 0.000 0.242 510 R C 2.762 179.121 176.300 0.098 0.000 1.142 510 R CA 2.802 58.949 56.100 0.079 0.000 0.960 510 R CB -0.919 29.430 30.300 0.082 0.000 0.858 510 R HN 0.626 nan 8.270 nan 0.000 0.439 511 T N -0.010 114.605 114.554 0.102 0.000 2.684 511 T HA -0.114 4.236 4.350 0.000 0.000 0.267 511 T C 1.939 176.694 174.700 0.091 0.000 1.036 511 T CA 1.842 64.017 62.100 0.126 0.000 1.148 511 T CB -0.192 68.771 68.868 0.158 0.000 0.863 511 T HN 0.270 nan 8.240 nan 0.000 0.436 512 S N 0.496 116.232 115.700 0.060 0.000 2.371 512 S HA -0.017 4.453 4.470 0.000 0.000 0.224 512 S C 2.026 176.635 174.600 0.014 0.000 1.029 512 S CA 0.927 59.131 58.200 0.007 0.000 0.978 512 S CB -0.171 63.029 63.200 0.000 0.000 0.833 512 S HN 0.496 nan 8.310 nan 0.000 0.466 513 K N 1.313 121.741 120.400 0.045 0.000 2.057 513 K HA -0.109 4.211 4.320 0.000 0.000 0.207 513 K C 1.898 178.555 176.600 0.096 0.000 1.049 513 K CA 1.393 57.715 56.287 0.059 0.000 0.931 513 K CB -0.086 32.454 32.500 0.066 0.000 0.714 513 K HN 0.339 nan 8.250 nan 0.000 0.440 514 E N -0.184 120.099 120.200 0.138 0.000 2.106 514 E HA -0.148 4.202 4.350 0.000 0.000 0.192 514 E C 1.925 178.623 176.600 0.164 0.000 0.984 514 E CA 0.843 57.386 56.400 0.237 0.000 0.806 514 E CB -0.049 29.823 29.700 0.288 0.000 0.750 514 E HN 0.444 nan 8.360 nan 0.000 0.458 515 A N 1.305 124.187 122.820 0.105 0.000 1.902 515 A HA -0.239 4.081 4.320 0.000 0.000 0.217 515 A C 2.070 179.731 177.584 0.128 0.000 1.181 515 A CA 1.780 53.875 52.037 0.097 0.000 0.623 515 A CB -0.317 18.688 19.000 0.008 0.000 0.818 515 A HN 0.130 nan 8.150 nan 0.000 0.443 516 E N 0.384 120.635 120.200 0.085 0.000 2.112 516 E HA -0.114 4.236 4.350 0.000 0.000 0.190 516 E C 1.259 177.844 176.600 -0.024 0.000 0.979 516 E CA 1.315 57.765 56.400 0.084 0.000 0.814 516 E CB -0.286 29.435 29.700 0.035 0.000 0.762 516 E HN 0.489 nan 8.360 nan 0.000 0.460 517 D N 0.026 120.410 120.400 -0.028 0.000 2.144 517 D HA -0.180 4.460 4.640 0.000 0.000 0.199 517 D C 1.883 177.930 176.300 -0.422 0.000 0.984 517 D CA 1.134 55.098 54.000 -0.061 0.000 0.834 517 D CB -0.300 40.594 40.800 0.157 0.000 0.955 517 D HN 0.310 nan 8.370 nan 0.000 0.465 518 M N -0.258 118.887 119.600 -0.758 0.000 2.117 518 M HA -0.213 4.267 4.480 0.000 0.000 0.262 518 M C 2.051 177.936 176.300 -0.692 0.000 1.065 518 M CA 1.274 55.800 55.300 -1.289 0.000 1.114 518 M CB 0.005 32.097 32.600 -0.847 0.000 1.361 518 M HN -0.022 nan 8.290 nan 0.000 0.408 519 M N 0.192 119.517 119.600 -0.458 0.000 2.080 519 M HA -0.151 4.329 4.480 0.000 0.000 0.260 519 M C 1.785 177.872 176.300 -0.354 0.000 1.068 519 M CA 2.331 57.361 55.300 -0.450 0.000 1.109 519 M CB -0.954 31.459 32.600 -0.311 0.000 1.342 519 M HN 0.241 nan 8.290 nan 0.000 0.405 520 T N 0.057 114.468 114.554 -0.239 0.000 2.708 520 T HA -0.162 4.188 4.350 0.000 0.000 0.266 520 T C 1.491 176.111 174.700 -0.132 0.000 1.037 520 T CA 1.809 63.822 62.100 -0.145 0.000 1.146 520 T CB -0.597 68.231 68.868 -0.068 0.000 0.865 520 T HN 0.528 nan 8.240 nan 0.000 0.435 521 D N 0.574 120.892 120.400 -0.137 0.000 2.123 521 D HA -0.092 4.548 4.640 0.000 0.000 0.196 521 D C 2.074 178.355 176.300 -0.032 0.000 0.992 521 D CA 0.954 54.982 54.000 0.047 0.000 0.833 521 D CB -0.234 40.693 40.800 0.211 0.000 0.954 521 D HN 0.281 nan 8.370 nan 0.000 0.455 522 M N -0.468 118.873 119.600 -0.432 0.000 2.080 522 M HA -0.198 4.282 4.480 0.000 0.000 0.260 522 M C 2.007 178.003 176.300 -0.507 0.000 1.068 522 M CA 1.442 56.203 55.300 -0.898 0.000 1.109 522 M CB -0.187 31.620 32.600 -1.321 0.000 1.342 522 M HN 0.215 nan 8.290 nan 0.000 0.405 523 C N -0.412 118.691 119.300 -0.328 0.000 2.429 523 C HA -0.117 4.343 4.460 0.000 0.000 0.277 523 C C 2.668 177.565 174.990 -0.154 0.000 1.262 523 C CA 0.907 59.846 59.018 -0.131 0.000 1.733 523 C CB -1.038 26.680 27.740 -0.037 0.000 2.010 523 C HN 0.508 nan 8.230 nan 0.000 0.483 524 V N 0.560 120.412 119.914 -0.104 0.000 2.307 524 V HA -0.278 3.842 4.120 0.000 0.000 0.245 524 V C 2.392 178.466 176.094 -0.033 0.000 1.045 524 V CA 2.252 64.523 62.300 -0.048 0.000 1.024 524 V CB -0.656 31.189 31.823 0.037 0.000 0.651 524 V HN 0.594 nan 8.190 nan 0.000 0.449 525 M N 0.716 120.333 119.600 0.029 0.000 2.156 525 M HA -0.143 4.337 4.480 0.000 0.000 0.264 525 M C 2.492 178.677 176.300 -0.193 0.000 1.067 525 M CA 2.162 57.559 55.300 0.161 0.000 1.131 525 M CB -0.182 32.659 32.600 0.402 0.000 1.368 525 M HN 0.549 nan 8.290 nan 0.000 0.416 526 S N 0.720 115.978 115.700 -0.737 0.000 2.400 526 S HA -0.100 4.370 4.470 0.000 0.000 0.232 526 S C 1.978 176.184 174.600 -0.657 0.000 1.025 526 S CA 1.104 58.461 58.200 -1.404 0.000 0.993 526 S CB -0.918 61.215 63.200 -1.778 0.000 0.808 526 S HN 0.581 nan 8.310 nan 0.000 0.478 527 A N 1.934 124.477 122.820 -0.462 0.000 2.070 527 A HA -0.009 4.311 4.320 0.000 0.000 0.220 527 A C 2.146 179.604 177.584 -0.209 0.000 1.159 527 A CA 1.395 53.212 52.037 -0.366 0.000 0.656 527 A CB -0.532 18.285 19.000 -0.305 0.000 0.800 527 A HN 0.649 nan 8.150 nan 0.000 0.453 528 K N -0.694 119.631 120.400 -0.125 0.000 2.365 528 K HA 0.075 4.395 4.320 0.000 0.000 0.199 528 K C 1.103 177.703 176.600 -0.001 0.000 1.045 528 K CA 0.612 56.874 56.287 -0.041 0.000 0.962 528 K CB 0.066 32.581 32.500 0.025 0.000 0.759 528 K HN 0.393 nan 8.250 nan 0.000 0.469 529 I N -0.766 119.817 120.570 0.022 0.000 3.039 529 I HA 0.169 4.339 4.170 0.000 0.000 0.270 529 I C 1.099 177.234 176.117 0.031 0.000 1.150 529 I CA 0.579 61.943 61.300 0.106 0.000 1.448 529 I CB -0.011 38.205 38.000 0.360 0.000 1.197 529 I HN 0.092 nan 8.210 nan 0.000 0.450 530 G N -0.671 108.092 108.800 -0.062 0.000 2.451 530 G HA2 0.486 4.446 3.960 0.000 0.000 0.292 530 G HA3 0.486 4.446 3.960 0.000 0.000 0.292 530 G C -0.690 174.063 174.900 -0.245 0.000 1.427 530 G CA -0.125 44.914 45.100 -0.103 0.000 0.792 530 G HN 0.275 nan 8.290 nan 0.000 0.498 531 G N -1.132 107.521 108.800 -0.245 0.000 2.562 531 G HA2 0.548 4.508 3.960 0.000 0.000 0.275 531 G HA3 0.548 4.508 3.960 0.000 0.000 0.275 531 G C -0.252 174.454 174.900 -0.323 0.000 1.196 531 G CA -0.528 44.328 45.100 -0.408 0.000 0.908 531 G HN 0.426 nan 8.290 nan 0.000 0.524 532 F N -0.845 119.009 119.950 -0.161 0.000 2.545 532 F HA 0.211 4.738 4.527 0.000 0.000 0.348 532 F C 0.700 176.438 175.800 -0.103 0.000 1.163 532 F CA -0.707 57.192 58.000 -0.168 0.000 1.331 532 F CB 0.593 39.484 39.000 -0.181 0.000 1.138 532 F HN 0.182 nan 8.300 nan 0.000 0.602 533 L N 5.489 126.782 121.223 0.118 0.000 2.281 533 L HA 0.452 4.792 4.340 0.000 0.000 0.285 533 L C -2.466 174.449 176.870 0.076 0.000 1.074 533 L CA -2.047 52.836 54.840 0.072 0.000 0.817 533 L CB 0.197 42.293 42.059 0.061 0.000 1.168 533 L HN 0.260 nan 8.230 nan 0.000 0.434 534 P HA 0.174 nan 4.420 nan 0.000 0.264 534 P C 0.674 178.022 177.300 0.080 0.000 1.183 534 P CA 1.122 64.260 63.100 0.064 0.000 0.763 534 P CB 0.607 32.339 31.700 0.053 0.000 0.807 535 G N 1.992 110.834 108.800 0.070 0.000 2.225 535 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 535 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 535 G C 0.515 175.496 174.900 0.136 0.000 0.988 535 G CA 0.270 45.430 45.100 0.101 0.000 0.625 535 G HN 0.532 nan 8.290 nan 0.000 0.527 536 S N 0.717 116.470 115.700 0.089 0.000 2.617 536 S HA 0.516 4.986 4.470 0.000 0.000 0.237 536 S C 0.457 174.971 174.600 -0.143 0.000 1.142 536 S CA -0.537 57.707 58.200 0.074 0.000 1.167 536 S CB 0.247 63.468 63.200 0.036 0.000 1.068 536 S HN 0.464 nan 8.310 nan 0.000 0.470 537 L N 2.463 123.595 121.223 -0.151 0.000 2.453 537 L HA 0.366 4.706 4.340 0.000 0.000 0.261 537 L C -2.096 174.483 176.870 -0.485 0.000 1.179 537 L CA -2.264 52.350 54.840 -0.375 0.000 0.813 537 L CB -0.053 41.850 42.059 -0.260 0.000 1.110 537 L HN 0.054 nan 8.230 nan 0.000 0.466 538 P HA -0.003 nan 4.420 nan 0.000 0.264 538 P C -1.375 175.696 177.300 -0.382 0.000 1.193 538 P CA 0.144 62.851 63.100 -0.655 0.000 0.763 538 P CB 0.427 31.646 31.700 -0.802 0.000 0.810 539 Q N 1.611 121.233 119.800 -0.297 0.000 2.472 539 Q HA 0.463 4.803 4.340 0.000 0.000 0.281 539 Q C -1.453 174.406 176.000 -0.235 0.000 0.997 539 Q CA -0.870 54.839 55.803 -0.157 0.000 0.828 539 Q CB 0.663 29.385 28.738 -0.026 0.000 1.443 539 Q HN 0.082 nan 8.270 nan 0.000 0.390 540 F N 1.700 121.599 119.950 -0.085 0.000 2.456 540 F HA 0.270 4.797 4.527 -0.000 0.000 0.358 540 F C 0.723 176.495 175.800 -0.047 0.000 1.095 540 F CA -0.220 57.731 58.000 -0.082 0.000 1.216 540 F CB 0.886 39.826 39.000 -0.100 0.000 1.125 540 F HN 0.399 nan 8.300 nan 0.000 0.549 541 M N 1.969 121.610 119.600 0.068 0.000 2.228 541 M HA 0.086 4.566 4.480 0.000 0.000 0.326 541 M C 0.367 176.707 176.300 0.066 0.000 1.122 541 M CA -0.291 55.025 55.300 0.026 0.000 1.161 541 M CB 0.505 33.080 32.600 -0.042 0.000 1.437 541 M HN 0.600 nan 8.290 nan 0.000 0.465 542 E N 3.114 123.326 120.200 0.021 0.000 2.608 542 E HA -0.016 4.334 4.350 0.000 0.000 0.259 542 E C -2.153 174.465 176.600 0.030 0.000 0.951 542 E CA -1.132 55.279 56.400 0.019 0.000 0.945 542 E CB 0.349 30.035 29.700 -0.023 0.000 0.916 542 E HN 0.183 nan 8.360 nan 0.000 0.477 543 P HA 0.053 nan 4.420 nan 0.000 0.263 543 P C 0.359 177.585 177.300 -0.124 0.000 1.195 543 P CA 0.994 64.124 63.100 0.050 0.000 0.762 543 P CB 0.742 32.461 31.700 0.032 0.000 0.799 544 G N 2.597 111.327 108.800 -0.116 0.000 2.217 544 G HA2 -0.315 3.645 3.960 0.000 0.000 0.246 544 G HA3 -0.315 3.645 3.960 0.000 0.000 0.246 544 G C 0.739 175.592 174.900 -0.078 0.000 0.990 544 G CA 0.140 45.139 45.100 -0.170 0.000 0.627 544 G HN 0.510 nan 8.290 nan 0.000 0.522 545 L N 1.189 122.380 121.223 -0.052 0.000 2.187 545 L HA 0.127 4.467 4.340 0.000 0.000 0.213 545 L C 2.850 179.705 176.870 -0.025 0.000 1.100 545 L CA 2.434 57.248 54.840 -0.044 0.000 0.765 545 L CB -0.597 41.427 42.059 -0.058 0.000 0.904 545 L HN 0.497 nan 8.230 nan 0.000 0.437 546 V N -0.068 119.838 119.914 -0.014 0.000 2.568 546 V HA -0.202 3.918 4.120 0.000 0.000 0.253 546 V C 1.600 177.637 176.094 -0.096 0.000 1.072 546 V CA 1.245 63.526 62.300 -0.030 0.000 1.084 546 V CB -0.299 31.552 31.823 0.046 0.000 0.676 546 V HN 0.513 nan 8.190 nan 0.000 0.469 547 L N 0.112 121.340 121.223 0.009 0.000 3.660 547 L HA -0.255 4.085 4.340 0.000 0.000 0.440 547 L C 0.330 177.359 176.870 0.264 0.000 1.262 547 L CA 0.914 55.818 54.840 0.107 0.000 0.837 547 L CB -2.416 39.729 42.059 0.143 0.000 1.689 547 L HN 0.568 nan 8.230 nan 0.000 0.890 548 H N -0.680 118.500 119.070 0.182 0.000 2.481 548 H HA 0.279 4.835 4.556 0.000 0.000 0.273 548 H C 0.504 175.971 175.328 0.232 0.000 1.145 548 H CA -1.160 55.035 56.048 0.245 0.000 0.964 548 H CB 0.671 30.623 29.762 0.317 0.000 1.722 548 H HN 0.192 nan 8.280 nan 0.000 0.573 549 L N 2.073 123.443 121.223 0.244 0.000 2.601 549 L HA 0.122 4.462 4.340 0.000 0.000 0.277 549 L C 0.667 177.669 176.870 0.220 0.000 1.219 549 L CA 0.781 55.714 54.840 0.156 0.000 0.915 549 L CB 0.195 42.315 42.059 0.101 0.000 1.160 549 L HN 0.315 nan 8.230 nan 0.000 0.494 550 G N 2.046 110.987 108.800 0.235 0.000 2.730 550 G HA2 0.544 4.504 3.960 0.000 0.000 0.289 550 G HA3 0.544 4.504 3.960 0.000 0.000 0.289 550 G C 0.353 175.357 174.900 0.173 0.000 1.341 550 G CA -0.279 44.982 45.100 0.270 0.000 0.932 550 G HN 1.289 nan 8.290 nan 0.000 0.481 551 G N -1.145 107.724 108.800 0.115 0.000 2.162 551 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 551 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 551 G C 1.314 176.279 174.900 0.107 0.000 0.976 551 G CA 1.564 46.740 45.100 0.126 0.000 0.655 551 G HN 1.838 nan 8.290 nan 0.000 0.533 552 T N -1.982 112.585 114.554 0.021 0.000 3.035 552 T HA 0.164 4.514 4.350 0.000 0.000 0.268 552 T C 1.070 175.851 174.700 0.135 0.000 1.109 552 T CA 1.832 63.986 62.100 0.090 0.000 1.119 552 T CB -0.264 68.662 68.868 0.097 0.000 0.900 552 T HN 1.511 nan 8.240 nan 0.000 0.503 553 H N -0.254 118.891 119.070 0.125 0.000 2.823 553 H HA 0.441 4.997 4.556 0.000 0.000 0.222 553 H C -0.098 175.272 175.328 0.069 0.000 1.414 553 H CA -1.371 54.724 56.048 0.078 0.000 1.289 553 H CB -0.393 29.382 29.762 0.021 0.000 1.970 553 H HN 0.327 nan 8.280 nan 0.000 0.517 554 R N 0.424 121.011 120.500 0.144 0.000 2.679 554 R HA 0.309 4.649 4.340 0.000 0.000 0.269 554 R C -0.320 176.041 176.300 0.101 0.000 1.076 554 R CA -0.714 55.442 56.100 0.093 0.000 1.160 554 R CB 0.947 31.290 30.300 0.072 0.000 1.054 554 R HN 0.442 nan 8.270 nan 0.000 0.507 555 M N 1.062 120.696 119.600 0.058 0.000 2.314 555 M HA 0.443 4.923 4.480 0.000 0.000 0.342 555 M C -0.481 175.815 176.300 -0.007 0.000 1.171 555 M CA 0.202 55.511 55.300 0.016 0.000 1.098 555 M CB 1.617 34.201 32.600 -0.026 0.000 1.559 555 M HN 0.941 nan 8.290 nan 0.000 0.459 556 G N 2.084 110.888 108.800 0.006 0.000 2.550 556 G HA2 0.409 4.369 3.960 0.000 0.000 0.293 556 G HA3 0.409 4.369 3.960 0.000 0.000 0.293 556 G C -0.892 173.992 174.900 -0.027 0.000 1.402 556 G CA -0.680 44.371 45.100 -0.081 0.000 0.784 556 G HN 0.671 nan 8.290 nan 0.000 0.482 557 F N -0.097 119.949 119.950 0.160 0.000 2.234 557 F HA 0.252 4.779 4.527 0.000 0.000 0.296 557 F C 1.084 177.008 175.800 0.208 0.000 1.089 557 F CA 1.058 59.157 58.000 0.164 0.000 1.343 557 F CB 0.393 39.449 39.000 0.093 0.000 1.040 557 F HN 0.360 nan 8.300 nan 0.000 0.498 558 D N -0.958 119.603 120.400 0.267 0.000 2.696 558 D HA 0.124 4.764 4.640 0.000 0.000 0.251 558 D C 0.738 176.860 176.300 -0.296 0.000 1.188 558 D CA -0.230 53.767 54.000 -0.005 0.000 0.876 558 D CB 1.188 42.003 40.800 0.026 0.000 1.334 558 D HN 0.079 nan 8.370 nan 0.000 0.540 559 E N 3.174 122.821 120.200 -0.921 0.000 2.086 559 E HA -0.314 4.036 4.350 0.000 0.000 0.200 559 E C 1.283 177.683 176.600 -0.332 0.000 1.012 559 E CA 1.393 57.236 56.400 -0.928 0.000 0.812 559 E CB 0.282 29.301 29.700 -1.136 0.000 0.743 559 E HN 0.431 nan 8.360 nan 0.000 0.453 560 K N -0.005 120.255 120.400 -0.234 0.000 2.021 560 K HA -0.130 4.190 4.320 0.000 0.000 0.205 560 K C 2.028 178.591 176.600 -0.063 0.000 1.047 560 K CA 1.453 57.676 56.287 -0.106 0.000 0.943 560 K CB 0.063 32.518 32.500 -0.076 0.000 0.725 560 K HN 0.046 nan 8.250 nan 0.000 0.439 561 E N 0.265 120.433 120.200 -0.052 0.000 2.274 561 E HA -0.100 4.250 4.350 0.000 0.000 0.194 561 E C 0.594 177.189 176.600 -0.008 0.000 0.996 561 E CA 0.937 57.330 56.400 -0.012 0.000 0.840 561 E CB 0.288 29.994 29.700 0.009 0.000 0.772 561 E HN 0.301 nan 8.360 nan 0.000 0.491 562 D N -0.033 120.353 120.400 -0.025 0.000 2.395 562 D HA 0.065 4.705 4.640 0.000 0.000 0.213 562 D C -0.663 175.566 176.300 -0.117 0.000 1.110 562 D CA -0.028 53.953 54.000 -0.031 0.000 0.835 562 D CB 0.171 40.992 40.800 0.034 0.000 0.965 562 D HN 0.068 nan 8.370 nan 0.000 0.505 563 N N 0.803 119.432 118.700 -0.118 0.000 2.667 563 N HA -0.188 4.552 4.740 0.000 0.000 0.263 563 N C -0.246 175.177 175.510 -0.145 0.000 1.038 563 N CA 0.580 53.541 53.050 -0.149 0.000 0.749 563 N CB -1.350 36.932 38.487 -0.341 0.000 0.892 563 N HN 0.417 nan 8.380 nan 0.000 0.546 564 C N -3.278 116.009 119.300 -0.021 0.000 3.259 564 C HA 0.797 5.257 4.460 0.000 0.000 0.328 564 C C 1.321 176.465 174.990 0.256 0.000 1.425 564 C CA -0.609 58.470 59.018 0.102 0.000 1.465 564 C CB 1.601 29.423 27.740 0.137 0.000 1.890 564 C HN 0.496 nan 8.230 nan 0.000 0.450 565 C N 0.202 119.701 119.300 0.332 0.000 3.294 565 C HA 0.497 4.957 4.460 0.000 0.000 0.441 565 C C 0.628 175.734 174.990 0.193 0.000 1.364 565 C CA 0.609 59.822 59.018 0.326 0.000 2.059 565 C CB -0.353 27.495 27.740 0.180 0.000 2.925 565 C HN 0.972 nan 8.230 nan 0.000 0.633 566 V N 1.258 121.184 119.914 0.019 0.000 3.001 566 V HA 0.720 4.840 4.120 0.000 0.000 0.314 566 V C -0.775 174.990 176.094 -0.548 0.000 1.099 566 V CA -0.617 61.442 62.300 -0.403 0.000 0.989 566 V CB 1.558 33.258 31.823 -0.205 0.000 1.040 566 V HN 0.394 nan 8.190 nan 0.000 0.434 567 N N 0.642 118.841 118.700 -0.836 0.000 2.431 567 N HA 0.251 4.991 4.740 0.000 0.000 0.289 567 N C 1.064 176.427 175.510 -0.244 0.000 1.277 567 N CA 0.233 53.010 53.050 -0.454 0.000 0.972 567 N CB -0.011 38.214 38.487 -0.436 0.000 1.143 567 N HN 0.948 nan 8.380 nan 0.000 0.578 568 T N -4.530 109.925 114.554 -0.165 0.000 3.098 568 T HA -0.016 4.334 4.350 0.000 0.000 0.266 568 T C 0.092 174.708 174.700 -0.139 0.000 1.145 568 T CA 0.738 62.742 62.100 -0.160 0.000 1.092 568 T CB -0.420 68.367 68.868 -0.134 0.000 0.908 568 T HN 0.471 nan 8.240 nan 0.000 0.526 569 D N 0.865 121.172 120.400 -0.154 0.000 2.340 569 D HA 0.197 4.837 4.640 0.000 0.000 0.217 569 D C 0.519 176.819 176.300 0.000 0.000 1.081 569 D CA 0.104 54.033 54.000 -0.118 0.000 0.842 569 D CB 0.227 40.849 40.800 -0.297 0.000 0.934 569 D HN 0.349 nan 8.370 nan 0.000 0.511 570 S N 0.247 115.913 115.700 -0.057 0.000 3.382 570 S HA -0.241 4.229 4.470 0.000 0.000 0.293 570 S C 0.555 175.131 174.600 -0.040 0.000 1.262 570 S CA 0.409 58.614 58.200 0.008 0.000 0.969 570 S CB -1.344 61.943 63.200 0.145 0.000 1.136 570 S HN 0.454 nan 8.310 nan 0.000 0.635 571 R N 1.251 121.593 120.500 -0.264 0.000 2.308 571 R HA 0.453 4.793 4.340 0.000 0.000 0.305 571 R C -0.038 175.918 176.300 -0.573 0.000 1.053 571 R CA -0.378 55.342 56.100 -0.634 0.000 0.957 571 R CB 0.658 30.553 30.300 -0.674 0.000 1.022 571 R HN 0.132 nan 8.270 nan 0.000 0.461 572 V N 6.510 126.121 119.914 -0.506 0.000 2.493 572 V HA -0.024 4.096 4.120 0.000 0.000 0.292 572 V C 0.129 176.140 176.094 -0.139 0.000 1.016 572 V CA 0.277 62.373 62.300 -0.338 0.000 1.097 572 V CB -0.355 31.242 31.823 -0.376 0.000 0.947 572 V HN 0.577 nan 8.190 nan 0.000 0.479 573 F N 4.265 124.237 119.950 0.036 0.000 2.579 573 F HA 0.292 4.819 4.527 -0.000 0.000 0.397 573 F C 1.624 177.544 175.800 0.200 0.000 1.027 573 F CA 1.653 59.708 58.000 0.091 0.000 1.217 573 F CB -0.335 38.715 39.000 0.083 0.000 0.986 573 F HN 0.807 nan 8.300 nan 0.000 0.551 574 G N 2.272 111.244 108.800 0.288 0.000 2.225 574 G HA2 -0.312 3.648 3.960 0.000 0.000 0.254 574 G HA3 -0.312 3.648 3.960 0.000 0.000 0.254 574 G C -0.098 174.756 174.900 -0.076 0.000 0.988 574 G CA -0.380 44.792 45.100 0.120 0.000 0.625 574 G HN 0.451 nan 8.290 nan 0.000 0.527 575 F N 0.920 120.885 119.950 0.025 0.000 2.411 575 F HA 0.592 5.119 4.527 0.000 0.000 0.352 575 F C 1.330 177.106 175.800 -0.039 0.000 1.123 575 F CA -0.973 57.028 58.000 0.000 0.000 1.044 575 F CB 1.686 40.684 39.000 -0.004 0.000 1.135 575 F HN -0.209 nan 8.300 nan 0.000 0.461 576 K N 1.841 122.332 120.400 0.152 0.000 2.147 576 K HA -0.118 4.202 4.320 0.000 0.000 0.205 576 K C 0.818 177.638 176.600 0.366 0.000 1.049 576 K CA 1.296 57.717 56.287 0.223 0.000 0.936 576 K CB 0.060 32.699 32.500 0.231 0.000 0.722 576 K HN 0.719 nan 8.250 nan 0.000 0.446 577 N N -0.290 118.591 118.700 0.302 0.000 2.307 577 N HA 0.015 4.755 4.740 0.000 0.000 0.248 577 N C -0.662 174.970 175.510 0.205 0.000 1.322 577 N CA -0.333 52.953 53.050 0.394 0.000 0.861 577 N CB -0.149 38.607 38.487 0.449 0.000 1.303 577 N HN -0.065 nan 8.380 nan 0.000 0.498 578 L N 0.576 121.707 121.223 -0.153 0.000 2.333 578 L HA 0.728 5.068 4.340 0.000 0.000 0.280 578 L C -1.779 174.704 176.870 -0.644 0.000 1.004 578 L CA -0.540 54.174 54.840 -0.211 0.000 0.820 578 L CB 0.910 42.836 42.059 -0.222 0.000 1.247 578 L HN -0.045 nan 8.230 nan 0.000 0.416 579 F N 4.867 124.735 119.950 -0.136 0.000 2.576 579 F HA 0.658 5.185 4.527 0.000 0.000 0.313 579 F C -0.673 174.972 175.800 -0.259 0.000 1.078 579 F CA -0.677 57.221 58.000 -0.169 0.000 0.921 579 F CB 1.891 40.826 39.000 -0.109 0.000 1.232 579 F HN 0.206 nan 8.300 nan 0.000 0.459 580 L N 2.000 123.177 121.223 -0.077 0.000 2.346 580 L HA 0.884 5.224 4.340 0.000 0.000 0.276 580 L C 0.071 176.941 176.870 0.000 0.000 1.006 580 L CA -0.811 53.913 54.840 -0.193 0.000 0.817 580 L CB 1.844 43.627 42.059 -0.459 0.000 1.272 580 L HN 0.779 nan 8.230 nan 0.000 0.421 581 G N 0.329 109.139 108.800 0.016 0.000 2.498 581 G HA2 0.812 4.772 3.960 0.000 0.000 0.312 581 G HA3 0.812 4.772 3.960 0.000 0.000 0.312 581 G C -0.444 174.571 174.900 0.192 0.000 1.230 581 G CA -0.312 44.904 45.100 0.193 0.000 0.968 581 G HN 0.975 nan 8.290 nan 0.000 0.481 582 G N -1.488 107.420 108.800 0.180 0.000 2.353 582 G HA2 0.036 3.996 3.960 0.000 0.000 0.615 582 G HA3 0.036 3.996 3.960 0.000 0.000 0.615 582 G C 0.744 175.700 174.900 0.093 0.000 1.280 582 G CA 0.041 45.224 45.100 0.138 0.000 1.000 582 G HN 1.168 nan 8.290 nan 0.000 0.516 583 C N 0.669 120.001 119.300 0.053 0.000 2.432 583 C HA 0.221 4.681 4.460 0.000 0.000 0.282 583 C C 3.045 178.017 174.990 -0.029 0.000 1.388 583 C CA 1.751 60.780 59.018 0.018 0.000 1.777 583 C CB -1.314 26.471 27.740 0.075 0.000 1.882 583 C HN 1.312 nan 8.230 nan 0.000 0.520 584 G N 1.254 109.945 108.800 -0.181 0.000 2.479 584 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 584 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 584 G C 1.415 175.970 174.900 -0.574 0.000 1.115 584 G CA 0.823 45.548 45.100 -0.626 0.000 0.757 584 G HN 0.553 nan 8.290 nan 0.000 0.560 585 N N 0.274 118.859 118.700 -0.193 0.000 2.331 585 N HA 0.029 4.769 4.740 0.000 0.000 0.180 585 N C 0.907 176.435 175.510 0.030 0.000 1.019 585 N CA 0.147 53.217 53.050 0.034 0.000 0.881 585 N CB 0.037 38.588 38.487 0.107 0.000 0.972 585 N HN 0.305 nan 8.380 nan 0.000 0.435 586 I N 3.075 123.663 120.570 0.029 0.000 2.505 586 I HA 0.038 4.208 4.170 0.000 0.000 0.287 586 I C -1.361 174.850 176.117 0.156 0.000 1.104 586 I CA -0.978 60.368 61.300 0.078 0.000 1.387 586 I CB 1.222 39.221 38.000 -0.001 0.000 1.404 586 I HN -0.061 nan 8.210 nan 0.000 0.528 587 P HA 0.064 nan 4.420 nan 0.000 0.267 587 P C 0.236 177.626 177.300 0.149 0.000 1.289 587 P CA 0.186 63.356 63.100 0.118 0.000 0.866 587 P CB 0.198 31.925 31.700 0.045 0.000 1.309 588 T N -2.266 112.412 114.554 0.207 0.000 2.897 588 T HA 0.681 5.031 4.350 0.000 0.000 0.278 588 T C 0.205 175.034 174.700 0.214 0.000 0.981 588 T CA -0.876 61.332 62.100 0.180 0.000 0.973 588 T CB 1.118 70.073 68.868 0.145 0.000 1.092 588 T HN 0.053 nan 8.240 nan 0.000 0.543 589 A N 1.716 124.598 122.820 0.103 0.000 2.347 589 A HA 0.599 4.919 4.320 0.000 0.000 0.287 589 A C -0.628 176.920 177.584 -0.061 0.000 1.199 589 A CA -0.813 51.233 52.037 0.016 0.000 0.851 589 A CB -0.944 18.087 19.000 0.052 0.000 1.118 589 A HN 0.870 nan 8.150 nan 0.000 0.525 590 Y N -0.341 119.865 120.300 -0.157 0.000 2.512 590 Y HA 0.722 5.272 4.550 0.000 0.000 0.348 590 Y C 0.710 176.476 175.900 -0.225 0.000 0.990 590 Y CA -0.686 57.126 58.100 -0.479 0.000 1.033 590 Y CB 1.422 39.374 38.460 -0.846 0.000 1.259 590 Y HN 0.392 nan 8.280 nan 0.000 0.461 591 G N 0.605 109.321 108.800 -0.140 0.000 2.724 591 G HA2 0.385 4.345 3.960 0.000 0.000 0.205 591 G HA3 0.385 4.345 3.960 0.000 0.000 0.205 591 G C 0.427 175.441 174.900 0.191 0.000 1.112 591 G CA 0.147 45.376 45.100 0.214 0.000 0.793 591 G HN 0.958 nan 8.290 nan 0.000 0.526 592 A N 0.877 123.635 122.820 -0.104 0.000 2.406 592 A HA 0.428 4.748 4.320 0.000 0.000 0.243 592 A C -0.003 177.509 177.584 -0.119 0.000 1.082 592 A CA -0.455 51.403 52.037 -0.298 0.000 0.786 592 A CB -0.033 18.785 19.000 -0.303 0.000 1.029 592 A HN 0.395 nan 8.150 nan 0.000 0.495 593 N N 2.480 120.975 118.700 -0.342 0.000 2.411 593 N HA 0.187 4.927 4.740 0.000 0.000 0.261 593 N C -1.961 173.459 175.510 -0.149 0.000 1.248 593 N CA -0.658 52.170 53.050 -0.369 0.000 0.885 593 N CB 0.362 38.705 38.487 -0.240 0.000 1.062 593 N HN 0.438 nan 8.380 nan 0.000 0.471 594 P HA -0.012 nan 4.420 nan 0.000 0.240 594 P C 0.454 177.643 177.300 -0.185 0.000 1.190 594 P CA 0.640 63.618 63.100 -0.202 0.000 0.781 594 P CB 0.359 31.906 31.700 -0.256 0.000 0.931 595 T N 0.855 115.382 114.554 -0.044 0.000 2.777 595 T HA -0.109 4.241 4.350 0.000 0.000 0.266 595 T C 1.777 176.560 174.700 0.139 0.000 1.040 595 T CA 0.905 63.044 62.100 0.064 0.000 1.141 595 T CB -0.776 68.172 68.868 0.134 0.000 0.868 595 T HN 0.017 nan 8.240 nan 0.000 0.444 596 L N 0.998 122.325 121.223 0.173 0.000 2.046 596 L HA -0.098 4.242 4.340 0.000 0.000 0.208 596 L C 2.543 179.499 176.870 0.143 0.000 1.077 596 L CA 1.684 56.676 54.840 0.254 0.000 0.747 596 L CB -0.946 41.255 42.059 0.237 0.000 0.896 596 L HN 0.192 nan 8.230 nan 0.000 0.432 597 T N -0.443 114.069 114.554 -0.071 0.000 2.746 597 T HA -0.162 4.188 4.350 0.000 0.000 0.267 597 T C 1.900 176.515 174.700 -0.141 0.000 1.039 597 T CA 1.283 63.246 62.100 -0.229 0.000 1.142 597 T CB -0.478 67.808 68.868 -0.971 0.000 0.866 597 T HN 0.524 nan 8.240 nan 0.000 0.444 598 A N 1.445 124.185 122.820 -0.132 0.000 1.940 598 A HA -0.071 4.249 4.320 0.000 0.000 0.219 598 A C 2.303 179.854 177.584 -0.055 0.000 1.176 598 A CA 1.818 53.817 52.037 -0.064 0.000 0.631 598 A CB -0.722 18.261 19.000 -0.029 0.000 0.814 598 A HN 0.534 nan 8.150 nan 0.000 0.446 599 M N -0.340 119.234 119.600 -0.044 0.000 2.159 599 M HA -0.129 4.351 4.480 0.000 0.000 0.263 599 M C 2.038 178.247 176.300 -0.151 0.000 1.063 599 M CA 2.011 57.255 55.300 -0.094 0.000 1.110 599 M CB -0.126 32.413 32.600 -0.102 0.000 1.374 599 M HN 0.375 nan 8.290 nan 0.000 0.411 600 S N 1.080 116.690 115.700 -0.150 0.000 2.368 600 S HA -0.079 4.391 4.470 0.000 0.000 0.224 600 S C 1.752 176.159 174.600 -0.321 0.000 1.029 600 S CA 1.186 59.229 58.200 -0.261 0.000 0.988 600 S CB -0.430 62.559 63.200 -0.352 0.000 0.838 600 S HN 0.509 nan 8.310 nan 0.000 0.462 601 L N 1.087 122.163 121.223 -0.244 0.000 2.083 601 L HA -0.112 4.228 4.340 0.000 0.000 0.209 601 L C 2.775 179.511 176.870 -0.223 0.000 1.083 601 L CA 1.151 55.849 54.840 -0.237 0.000 0.752 601 L CB -0.687 41.306 42.059 -0.110 0.000 0.899 601 L HN 0.326 nan 8.230 nan 0.000 0.433 602 A N 0.286 122.971 122.820 -0.225 0.000 1.930 602 A HA -0.150 4.170 4.320 0.000 0.000 0.217 602 A C 2.201 179.464 177.584 -0.535 0.000 1.175 602 A CA 1.317 53.110 52.037 -0.406 0.000 0.627 602 A CB -0.565 18.209 19.000 -0.376 0.000 0.815 602 A HN 0.342 nan 8.150 nan 0.000 0.443 603 I N -0.457 119.893 120.570 -0.366 0.000 2.179 603 I HA -0.273 3.897 4.170 0.000 0.000 0.242 603 I C 2.520 178.468 176.117 -0.282 0.000 1.088 603 I CA 1.895 63.011 61.300 -0.307 0.000 1.357 603 I CB -0.228 37.612 38.000 -0.266 0.000 1.051 603 I HN 0.374 nan 8.210 nan 0.000 0.409 604 K N 0.541 120.771 120.400 -0.283 0.000 2.097 604 K HA -0.225 4.095 4.320 0.000 0.000 0.206 604 K C 2.339 178.841 176.600 -0.163 0.000 1.049 604 K CA 1.829 57.977 56.287 -0.231 0.000 0.933 604 K CB -0.128 32.200 32.500 -0.286 0.000 0.717 604 K HN 0.152 nan 8.250 nan 0.000 0.442 605 S N -0.190 115.393 115.700 -0.194 0.000 2.383 605 S HA -0.145 4.325 4.470 0.000 0.000 0.227 605 S C 2.035 176.525 174.600 -0.183 0.000 1.026 605 S CA 1.341 59.469 58.200 -0.119 0.000 0.981 605 S CB -0.452 62.717 63.200 -0.052 0.000 0.818 605 S HN 0.571 nan 8.310 nan 0.000 0.472 606 C N 1.511 120.619 119.300 -0.321 0.000 2.440 606 C HA 0.036 4.496 4.460 0.000 0.000 0.278 606 C C 2.519 177.411 174.990 -0.162 0.000 1.295 606 C CA 0.716 59.555 59.018 -0.298 0.000 1.738 606 C CB -1.408 26.115 27.740 -0.361 0.000 1.987 606 C HN 0.683 nan 8.230 nan 0.000 0.492 607 E N -0.638 119.492 120.200 -0.117 0.000 2.110 607 E HA -0.255 4.095 4.350 0.000 0.000 0.193 607 E C 1.798 178.398 176.600 0.001 0.000 0.988 607 E CA 1.462 57.828 56.400 -0.057 0.000 0.804 607 E CB -0.270 29.392 29.700 -0.063 0.000 0.745 607 E HN 0.847 nan 8.360 nan 0.000 0.458 608 Y N 1.052 121.304 120.300 -0.080 0.000 2.220 608 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 608 Y C 1.946 177.854 175.900 0.014 0.000 1.129 608 Y CA 1.269 59.364 58.100 -0.009 0.000 1.161 608 Y CB -0.054 38.438 38.460 0.054 0.000 0.997 608 Y HN -0.076 nan 8.280 nan 0.000 0.522 609 I N 0.457 121.056 120.570 0.048 0.000 2.208 609 I HA -0.334 3.836 4.170 0.000 0.000 0.245 609 I C 2.212 178.347 176.117 0.031 0.000 1.097 609 I CA 1.655 62.958 61.300 0.006 0.000 1.363 609 I CB -0.367 37.437 38.000 -0.326 0.000 1.051 609 I HN 0.174 nan 8.210 nan 0.000 0.413 610 K N 0.253 120.631 120.400 -0.036 0.000 2.283 610 K HA -0.145 4.175 4.320 0.000 0.000 0.202 610 K C 1.745 178.387 176.600 0.069 0.000 1.048 610 K CA 0.973 57.309 56.287 0.081 0.000 0.948 610 K CB -0.020 32.515 32.500 0.058 0.000 0.742 610 K HN 0.486 nan 8.250 nan 0.000 0.458 611 Q N -0.569 119.194 119.800 -0.062 0.000 2.319 611 Q HA 0.115 4.455 4.340 0.000 0.000 0.209 611 Q C 0.797 176.664 176.000 -0.222 0.000 0.884 611 Q CA 0.175 55.905 55.803 -0.122 0.000 0.938 611 Q CB 0.642 29.293 28.738 -0.145 0.000 1.098 611 Q HN 0.263 nan 8.270 nan 0.000 0.517 612 N N -0.672 117.848 118.700 -0.300 0.000 2.159 612 N HA 0.171 4.911 4.740 0.000 0.000 0.217 612 N C -0.849 174.226 175.510 -0.725 0.000 1.223 612 N CA 0.284 53.011 53.050 -0.539 0.000 0.896 612 N CB 1.002 38.994 38.487 -0.826 0.000 1.064 612 N HN -0.008 nan 8.380 nan 0.000 0.518 613 F N 0.189 120.149 119.950 0.017 0.000 2.599 613 F HA 0.391 4.918 4.527 0.000 0.000 0.311 613 F C 0.056 175.984 175.800 0.214 0.000 1.076 613 F CA -0.633 57.440 58.000 0.122 0.000 0.937 613 F CB 2.000 41.082 39.000 0.136 0.000 1.282 613 F HN -0.395 nan 8.300 nan 0.000 0.460 614 T N 2.727 117.486 114.554 0.342 0.000 2.824 614 T HA 0.469 4.819 4.350 0.000 0.000 0.282 614 T C -2.720 171.987 174.700 0.013 0.000 0.993 614 T CA -1.501 60.671 62.100 0.119 0.000 0.967 614 T CB 1.704 70.600 68.868 0.046 0.000 0.960 614 T HN 0.106 nan 8.240 nan 0.000 0.441 615 P HA 0.160 nan 4.420 nan 0.000 0.268 615 P C -0.077 177.139 177.300 -0.139 0.000 1.205 615 P CA -0.426 62.416 63.100 -0.429 0.000 0.771 615 P CB 0.300 31.605 31.700 -0.658 0.000 0.858 616 S N 3.461 119.121 115.700 -0.065 0.000 2.568 616 S HA 0.238 4.708 4.470 0.000 0.000 0.282 616 S C -2.020 172.570 174.600 -0.018 0.000 1.338 616 S CA -1.018 57.167 58.200 -0.026 0.000 1.045 616 S CB -0.788 62.400 63.200 -0.019 0.000 0.873 616 S HN 0.327 nan 8.310 nan 0.000 0.516 617 P HA 0.076 nan 4.420 nan 0.000 0.265 617 P C -0.792 176.589 177.300 0.134 0.000 1.193 617 P CA -0.240 62.892 63.100 0.053 0.000 0.765 617 P CB 0.087 31.812 31.700 0.041 0.000 0.823 618 F N 4.048 123.979 119.950 -0.032 0.000 2.405 618 F HA 0.335 4.862 4.527 0.000 0.000 0.358 618 F C 0.380 176.169 175.800 -0.017 0.000 1.151 618 F CA -0.450 57.537 58.000 -0.022 0.000 1.161 618 F CB -0.324 38.664 39.000 -0.019 0.000 1.245 618 F HN 0.218 nan 8.300 nan 0.000 0.545 619 T N 0.000 114.816 114.554 0.436 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.207 62.100 0.178 0.000 1.349 619 T CB 0.000 68.925 68.868 0.095 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658