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 2yv3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVAVVGATG AVGREILKVL EARNFPLSEL RLYASPRSAG VRLAFRGEEI DATA SEQUENCE PVEPLPEGPL PVDLVLASAG GGISRAKALV WAEGGALVVD NSSAWRYEPW DATA SEQUENCE VPLVVPEVNR EKIFQHRGII ANPNCTTAIL AMALWPLHRA FQAKRVIVAT DATA SEQUENCE YQAASGAGAK AMEELLTETH RFLHGEAPKA EAFAHPLPFN VIPHIDAFQE DATA SEQUENCE NGYTREEMKV VWETHKIFGD DTIRISATAV RVPTLRAHAE AVSVEFARPV DATA SEQUENCE TPEAAREVLK EAPGVEVVDE PEAKRYPMPL TASGKWDVEV GRIRKSLAFE DATA SEQUENCE NGLDFFVVGD QLLKGAALNA VQIAEEWL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.373 176.300 0.121 0.000 1.140 1 M CA 0.000 55.358 55.300 0.098 0.000 0.988 1 M CB 0.000 32.717 32.600 0.195 0.000 1.302 2 R N 1.528 122.065 120.500 0.062 0.000 2.449 2 R HA 0.634 4.972 4.340 -0.003 0.000 0.296 2 R C -0.152 176.169 176.300 0.035 0.000 1.047 2 R CA -0.216 55.911 56.100 0.045 0.000 1.018 2 R CB 0.183 30.495 30.300 0.021 0.000 0.962 2 R HN 0.504 nan 8.270 nan 0.000 0.428 3 V N -0.803 119.124 119.914 0.021 0.000 2.709 3 V HA 0.932 5.050 4.120 -0.003 0.000 0.308 3 V C -0.401 175.649 176.094 -0.073 0.000 1.062 3 V CA -1.170 61.113 62.300 -0.027 0.000 0.901 3 V CB 2.066 33.878 31.823 -0.019 0.000 1.003 3 V HN 0.810 nan 8.190 nan 0.000 0.425 4 A N 3.536 126.293 122.820 -0.104 0.000 2.337 4 A HA 0.904 5.222 4.320 -0.003 0.000 0.331 4 A C -0.502 177.007 177.584 -0.126 0.000 1.137 4 A CA -0.726 51.266 52.037 -0.076 0.000 0.807 4 A CB 2.008 20.967 19.000 -0.068 0.000 1.250 4 A HN 1.620 nan 8.150 nan 0.000 0.468 5 V N 2.869 122.730 119.914 -0.088 0.000 2.266 5 V HA 0.190 4.309 4.120 -0.003 0.000 0.266 5 V C -0.212 175.860 176.094 -0.036 0.000 1.036 5 V CA -0.522 61.711 62.300 -0.112 0.000 0.828 5 V CB 0.632 32.358 31.823 -0.161 0.000 1.081 5 V HN 0.606 nan 8.190 nan 0.000 0.449 6 V N 3.728 123.612 119.914 -0.050 0.000 2.485 6 V HA 0.506 4.624 4.120 -0.003 0.000 0.287 6 V C 1.494 177.607 176.094 0.031 0.000 1.022 6 V CA 1.428 63.737 62.300 0.015 0.000 1.067 6 V CB 0.289 32.073 31.823 -0.065 0.000 0.967 6 V HN 1.127 nan 8.190 nan 0.000 0.479 7 G N 3.420 112.256 108.800 0.059 0.000 2.201 7 G HA2 -0.096 3.862 3.960 -0.003 0.000 0.212 7 G HA3 -0.096 3.862 3.960 -0.003 0.000 0.212 7 G C 0.925 175.829 174.900 0.007 0.000 0.994 7 G CA 0.547 45.669 45.100 0.036 0.000 0.644 7 G HN 1.575 nan 8.290 nan 0.000 0.508 8 A N 0.357 123.168 122.820 -0.014 0.000 2.028 8 A HA -0.380 3.939 4.320 -0.003 0.000 0.296 8 A C 2.887 180.455 177.584 -0.027 0.000 3.464 8 A CA 4.692 56.705 52.037 -0.040 0.000 1.008 8 A CB -1.976 16.992 19.000 -0.054 0.000 0.658 8 A HN 2.252 nan 8.150 nan 0.000 0.482 9 T N -1.288 113.257 114.554 -0.015 0.000 3.093 9 T HA 0.288 4.636 4.350 -0.003 0.000 0.270 9 T C 0.933 175.631 174.700 -0.003 0.000 1.170 9 T CA 1.283 63.379 62.100 -0.007 0.000 1.072 9 T CB -1.353 67.514 68.868 -0.002 0.000 0.863 9 T HN 1.403 nan 8.240 nan 0.000 0.562 10 G N -0.590 108.207 108.800 -0.005 0.000 2.557 10 G HA2 0.587 4.546 3.960 -0.003 0.000 0.292 10 G HA3 0.587 4.546 3.960 -0.003 0.000 0.292 10 G C 1.145 176.042 174.900 -0.004 0.000 1.237 10 G CA -0.416 44.682 45.100 -0.003 0.000 0.978 10 G HN 0.313 nan 8.290 nan 0.000 0.498 11 A N -0.954 121.864 122.820 -0.002 0.000 1.858 11 A HA 0.001 4.320 4.320 -0.003 0.000 0.216 11 A C 2.529 180.109 177.584 -0.007 0.000 1.190 11 A CA 2.104 54.141 52.037 -0.001 0.000 0.617 11 A CB -0.814 18.188 19.000 0.002 0.000 0.827 11 A HN 0.516 nan 8.150 nan 0.000 0.443 12 V N -0.031 119.876 119.914 -0.013 0.000 2.244 12 V HA -0.157 3.961 4.120 -0.003 0.000 0.244 12 V C 2.898 178.973 176.094 -0.032 0.000 1.042 12 V CA 2.004 64.290 62.300 -0.023 0.000 1.006 12 V CB -1.663 30.147 31.823 -0.022 0.000 0.641 12 V HN 0.613 nan 8.190 nan 0.000 0.446 13 G N -0.484 108.297 108.800 -0.031 0.000 2.505 13 G HA2 -0.319 3.640 3.960 -0.003 0.000 0.220 13 G HA3 -0.319 3.640 3.960 -0.003 0.000 0.220 13 G C 1.777 176.649 174.900 -0.047 0.000 1.145 13 G CA 1.118 46.191 45.100 -0.044 0.000 0.761 13 G HN 0.414 nan 8.290 nan 0.000 0.571 14 R N -0.230 120.255 120.500 -0.025 0.000 2.092 14 R HA -0.023 4.315 4.340 -0.003 0.000 0.231 14 R C 2.545 178.843 176.300 -0.004 0.000 1.119 14 R CA 1.156 57.248 56.100 -0.012 0.000 0.970 14 R CB -0.068 30.233 30.300 0.002 0.000 0.864 14 R HN 0.266 nan 8.270 nan 0.000 0.440 15 E N 0.651 120.846 120.200 -0.008 0.000 2.152 15 E HA -0.113 4.235 4.350 -0.003 0.000 0.192 15 E C 1.964 178.549 176.600 -0.024 0.000 0.983 15 E CA 0.766 57.165 56.400 -0.001 0.000 0.818 15 E CB -0.120 29.578 29.700 -0.004 0.000 0.758 15 E HN 0.394 nan 8.360 nan 0.000 0.467 16 I N 2.034 122.572 120.570 -0.053 0.000 2.399 16 I HA -0.245 3.924 4.170 -0.003 0.000 0.254 16 I C 2.342 178.401 176.117 -0.097 0.000 1.146 16 I CA 0.740 61.984 61.300 -0.093 0.000 1.412 16 I CB -0.396 37.535 38.000 -0.116 0.000 1.076 16 I HN 0.157 nan 8.210 nan 0.000 0.432 17 L N 1.773 122.958 121.223 -0.062 0.000 2.068 17 L HA -0.142 4.197 4.340 -0.003 0.000 0.204 17 L C 2.447 179.427 176.870 0.184 0.000 1.076 17 L CA 2.062 56.881 54.840 -0.035 0.000 0.753 17 L CB -1.411 40.639 42.059 -0.015 0.000 0.910 17 L HN 0.337 nan 8.230 nan 0.000 0.439 18 K N 1.359 121.839 120.400 0.133 0.000 2.025 18 K HA -0.102 4.217 4.320 -0.003 0.000 0.207 18 K C 2.141 178.802 176.600 0.103 0.000 1.049 18 K CA 1.939 58.312 56.287 0.145 0.000 0.933 18 K CB -1.349 31.216 32.500 0.109 0.000 0.714 18 K HN 0.360 nan 8.250 nan 0.000 0.438 19 V N 0.107 120.032 119.914 0.018 0.000 2.343 19 V HA -0.177 3.941 4.120 -0.003 0.000 0.247 19 V C 2.163 178.225 176.094 -0.055 0.000 1.051 19 V CA 1.206 63.448 62.300 -0.097 0.000 1.036 19 V CB -0.664 31.013 31.823 -0.242 0.000 0.654 19 V HN 0.243 nan 8.190 nan 0.000 0.451 20 L N 0.880 122.102 121.223 -0.001 0.000 2.127 20 L HA -0.121 4.217 4.340 -0.003 0.000 0.211 20 L C 2.557 179.583 176.870 0.261 0.000 1.089 20 L CA 2.509 57.386 54.840 0.061 0.000 0.757 20 L CB -0.854 41.184 42.059 -0.035 0.000 0.899 20 L HN 0.677 nan 8.230 nan 0.000 0.434 21 E N -1.127 119.253 120.200 0.300 0.000 2.042 21 E HA -0.119 4.229 4.350 -0.003 0.000 0.189 21 E C 2.116 178.763 176.600 0.079 0.000 0.974 21 E CA 0.780 57.285 56.400 0.175 0.000 0.806 21 E CB -0.121 29.631 29.700 0.086 0.000 0.769 21 E HN 0.474 nan 8.360 nan 0.000 0.451 22 A N 1.297 124.173 122.820 0.094 0.000 2.070 22 A HA -0.128 4.190 4.320 -0.003 0.000 0.220 22 A C 1.941 179.596 177.584 0.118 0.000 1.159 22 A CA 1.000 53.121 52.037 0.139 0.000 0.656 22 A CB -0.341 18.817 19.000 0.263 0.000 0.800 22 A HN 0.157 nan 8.150 nan 0.000 0.453 23 R N -1.031 119.475 120.500 0.010 0.000 2.334 23 R HA 0.070 4.408 4.340 -0.003 0.000 0.216 23 R C -0.439 175.871 176.300 0.015 0.000 0.905 23 R CA 0.390 56.475 56.100 -0.025 0.000 1.064 23 R CB -0.258 29.982 30.300 -0.100 0.000 1.046 23 R HN 0.607 nan 8.270 nan 0.000 0.508 24 N N 0.739 119.466 118.700 0.045 0.000 2.738 24 N HA -0.218 4.521 4.740 -0.003 0.000 0.249 24 N C -0.833 174.678 175.510 0.002 0.000 1.047 24 N CA 0.353 53.413 53.050 0.017 0.000 0.707 24 N CB -1.748 36.724 38.487 -0.025 0.000 0.937 24 N HN 0.227 nan 8.380 nan 0.000 0.545 25 F N 2.178 122.106 119.950 -0.037 0.000 2.557 25 F HA 0.150 4.676 4.527 -0.002 0.000 0.384 25 F C -1.317 174.483 175.800 0.000 0.000 1.057 25 F CA -1.885 56.080 58.000 -0.058 0.000 1.169 25 F CB 0.602 39.596 39.000 -0.009 0.000 1.070 25 F HN 0.070 nan 8.300 nan 0.000 0.554 26 P HA 0.020 nan 4.420 nan 0.000 0.263 26 P C -0.516 176.863 177.300 0.130 0.000 1.601 26 P CA 0.107 63.130 63.100 -0.128 0.000 1.161 26 P CB -0.256 31.268 31.700 -0.294 0.000 1.730 27 L N 1.057 122.440 121.223 0.268 0.000 2.770 27 L HA 0.572 4.911 4.340 -0.003 0.000 0.229 27 L C 1.170 178.158 176.870 0.197 0.000 1.173 27 L CA -0.575 54.449 54.840 0.306 0.000 0.871 27 L CB -0.504 41.735 42.059 0.300 0.000 1.682 27 L HN 0.259 nan 8.230 nan 0.000 0.523 28 S N -1.712 114.083 115.700 0.157 0.000 3.084 28 S HA 0.105 4.573 4.470 -0.003 0.000 0.262 28 S C 0.359 175.012 174.600 0.088 0.000 1.081 28 S CA 0.174 58.438 58.200 0.107 0.000 0.855 28 S CB 0.291 63.543 63.200 0.086 0.000 0.857 28 S HN 0.794 nan 8.310 nan 0.000 0.449 29 E N 1.248 121.498 120.200 0.084 0.000 2.303 29 E HA 0.699 5.047 4.350 -0.003 0.000 0.254 29 E C -1.038 175.588 176.600 0.044 0.000 0.979 29 E CA -0.807 55.624 56.400 0.052 0.000 0.843 29 E CB 1.561 31.280 29.700 0.032 0.000 1.245 29 E HN 0.556 nan 8.360 nan 0.000 0.413 30 L N -0.461 120.759 121.223 -0.004 0.000 2.666 30 L HA 0.653 4.992 4.340 -0.003 0.000 0.258 30 L C -1.204 175.592 176.870 -0.122 0.000 0.991 30 L CA -0.736 54.063 54.840 -0.067 0.000 0.916 30 L CB 1.396 43.445 42.059 -0.017 0.000 1.199 30 L HN 0.314 nan 8.230 nan 0.000 0.439 31 R N 4.265 124.670 120.500 -0.158 0.000 2.409 31 R HA 0.725 5.063 4.340 -0.003 0.000 0.313 31 R C -1.165 174.941 176.300 -0.323 0.000 0.953 31 R CA -0.654 55.297 56.100 -0.248 0.000 0.849 31 R CB 2.587 32.805 30.300 -0.137 0.000 1.171 31 R HN 0.618 nan 8.270 nan 0.000 0.458 32 L N 4.089 125.055 121.223 -0.429 0.000 2.282 32 L HA 0.508 4.847 4.340 -0.003 0.000 0.288 32 L C -0.966 175.618 176.870 -0.476 0.000 1.033 32 L CA -0.808 53.830 54.840 -0.336 0.000 0.807 32 L CB 0.769 42.688 42.059 -0.234 0.000 1.209 32 L HN 0.493 nan 8.230 nan 0.000 0.423 33 Y N 1.645 121.895 120.300 -0.085 0.000 2.425 33 Y HA 0.718 5.266 4.550 -0.003 0.000 0.344 33 Y C 0.116 176.003 175.900 -0.021 0.000 0.969 33 Y CA -0.609 57.462 58.100 -0.049 0.000 1.052 33 Y CB 2.319 40.740 38.460 -0.065 0.000 1.215 33 Y HN 0.630 nan 8.280 nan 0.000 0.451 34 A N 1.158 124.081 122.820 0.171 0.000 2.527 34 A HA 0.771 5.090 4.320 -0.003 0.000 0.293 34 A C -0.604 177.050 177.584 0.116 0.000 1.117 34 A CA -0.710 51.392 52.037 0.108 0.000 0.723 34 A CB 0.995 20.027 19.000 0.054 0.000 1.313 34 A HN 0.739 nan 8.150 nan 0.000 0.411 35 S N 0.835 116.588 115.700 0.087 0.000 2.603 35 S HA 0.408 4.876 4.470 -0.003 0.000 0.268 35 S C -1.775 172.860 174.600 0.059 0.000 1.317 35 S CA -0.472 57.773 58.200 0.075 0.000 1.012 35 S CB 0.513 63.747 63.200 0.057 0.000 0.926 35 S HN 0.400 nan 8.310 nan 0.000 0.539 36 P HA -0.286 nan 4.420 nan 0.000 0.229 36 P C 1.500 178.819 177.300 0.031 0.000 1.147 36 P CA 2.090 65.215 63.100 0.041 0.000 0.949 36 P CB -0.102 31.618 31.700 0.033 0.000 0.786 37 R N -0.576 119.940 120.500 0.026 0.000 2.224 37 R HA -0.166 4.173 4.340 -0.003 0.000 0.251 37 R C 0.947 177.257 176.300 0.017 0.000 1.123 37 R CA 2.163 58.274 56.100 0.018 0.000 0.944 37 R CB -1.415 28.894 30.300 0.016 0.000 0.910 37 R HN 0.306 nan 8.270 nan 0.000 0.440 38 S N -0.736 114.977 115.700 0.021 0.000 3.158 38 S HA 0.548 5.016 4.470 -0.003 0.000 0.215 38 S C 0.287 174.899 174.600 0.020 0.000 1.359 38 S CA -0.194 58.016 58.200 0.016 0.000 0.974 38 S CB 1.692 64.900 63.200 0.012 0.000 1.336 38 S HN 0.398 nan 8.310 nan 0.000 0.488 39 A N 1.699 124.531 122.820 0.020 0.000 2.095 39 A HA 0.587 4.905 4.320 -0.003 0.000 0.212 39 A C 1.269 178.860 177.584 0.012 0.000 1.162 39 A CA 0.322 52.373 52.037 0.024 0.000 0.753 39 A CB 0.064 19.081 19.000 0.027 0.000 0.840 39 A HN 0.810 nan 8.150 nan 0.000 0.468 40 G N -0.089 108.714 108.800 0.006 0.000 3.881 40 G HA2 0.517 4.475 3.960 -0.003 0.000 0.319 40 G HA3 0.517 4.475 3.960 -0.003 0.000 0.319 40 G C -1.217 173.682 174.900 -0.001 0.000 1.472 40 G CA -0.025 45.075 45.100 0.001 0.000 0.851 40 G HN 0.221 nan 8.290 nan 0.000 0.495 41 V N 0.737 120.647 119.914 -0.007 0.000 3.147 41 V HA 0.653 4.771 4.120 -0.003 0.000 0.306 41 V C -0.729 175.357 176.094 -0.013 0.000 1.209 41 V CA -1.161 61.136 62.300 -0.006 0.000 1.023 41 V CB 2.768 34.589 31.823 -0.004 0.000 1.059 41 V HN 0.640 nan 8.190 nan 0.000 0.435 42 R N 1.695 122.190 120.500 -0.008 0.000 2.621 42 R HA 0.788 5.127 4.340 -0.003 0.000 0.292 42 R C -1.367 174.932 176.300 -0.001 0.000 0.969 42 R CA -0.489 55.606 56.100 -0.008 0.000 0.887 42 R CB 1.738 32.036 30.300 -0.003 0.000 1.180 42 R HN 0.411 nan 8.270 nan 0.000 0.450 43 L N 0.777 121.999 121.223 -0.003 0.000 2.693 43 L HA 0.880 5.218 4.340 -0.003 0.000 0.253 43 L C -0.276 176.615 176.870 0.036 0.000 1.155 43 L CA -0.818 54.028 54.840 0.011 0.000 1.026 43 L CB 0.852 42.908 42.059 -0.005 0.000 1.817 43 L HN 0.769 nan 8.230 nan 0.000 0.556 44 A N -0.349 122.511 122.820 0.068 0.000 2.455 44 A HA 0.741 5.060 4.320 -0.003 0.000 0.300 44 A C -1.799 175.912 177.584 0.212 0.000 1.040 44 A CA -0.246 51.854 52.037 0.104 0.000 0.697 44 A CB 1.191 20.232 19.000 0.069 0.000 1.265 44 A HN 0.342 nan 8.150 nan 0.000 0.407 45 F N 1.659 121.605 119.950 -0.006 0.000 2.591 45 F HA 0.601 5.126 4.527 -0.003 0.000 0.309 45 F C 1.012 176.814 175.800 0.003 0.000 1.098 45 F CA -0.837 57.161 58.000 -0.003 0.000 0.937 45 F CB 1.789 40.784 39.000 -0.009 0.000 1.250 45 F HN 0.806 nan 8.300 nan 0.000 0.447 46 R N 3.025 123.190 120.500 -0.559 0.000 3.701 46 R HA -0.250 4.089 4.340 -0.003 0.000 0.276 46 R C 1.105 177.316 176.300 -0.148 0.000 1.150 46 R CA 1.124 56.986 56.100 -0.397 0.000 0.763 46 R CB -1.827 28.206 30.300 -0.445 0.000 1.147 46 R HN 1.459 nan 8.270 nan 0.000 0.489 47 G N -0.612 108.142 108.800 -0.076 0.000 2.234 47 G HA2 -0.365 3.594 3.960 -0.003 0.000 0.260 47 G HA3 -0.365 3.594 3.960 -0.003 0.000 0.260 47 G C -0.037 174.863 174.900 0.000 0.000 0.987 47 G CA 0.734 45.819 45.100 -0.025 0.000 0.625 47 G HN 0.556 nan 8.290 nan 0.000 0.532 48 E N 1.859 122.064 120.200 0.008 0.000 2.301 48 E HA 0.462 4.811 4.350 -0.003 0.000 0.275 48 E C 0.190 176.828 176.600 0.063 0.000 1.030 48 E CA -0.472 55.947 56.400 0.032 0.000 0.852 48 E CB 0.778 30.500 29.700 0.036 0.000 1.060 48 E HN 0.568 nan 8.360 nan 0.000 0.401 49 E N 3.317 123.544 120.200 0.044 0.000 2.313 49 E HA 0.266 4.614 4.350 -0.003 0.000 0.276 49 E C -0.183 176.439 176.600 0.036 0.000 1.031 49 E CA -0.346 56.078 56.400 0.039 0.000 0.857 49 E CB 1.025 30.738 29.700 0.022 0.000 1.040 49 E HN 0.257 nan 8.360 nan 0.000 0.408 50 I N 3.201 123.786 120.570 0.026 0.000 2.582 50 I HA 0.286 4.455 4.170 -0.003 0.000 0.292 50 I C -2.296 173.799 176.117 -0.035 0.000 1.066 50 I CA -2.864 58.433 61.300 -0.004 0.000 1.053 50 I CB 1.645 39.640 38.000 -0.009 0.000 1.241 50 I HN 0.375 nan 8.210 nan 0.000 0.421 51 P HA 0.261 nan 4.420 nan 0.000 0.274 51 P C -0.808 176.425 177.300 -0.111 0.000 1.246 51 P CA -0.256 62.804 63.100 -0.067 0.000 0.795 51 P CB 1.431 33.093 31.700 -0.062 0.000 1.006 52 V N 1.823 121.678 119.914 -0.098 0.000 2.325 52 V HA 0.165 4.284 4.120 -0.003 0.000 0.280 52 V C 0.218 176.252 176.094 -0.100 0.000 1.016 52 V CA -0.616 61.612 62.300 -0.120 0.000 0.818 52 V CB 0.835 32.620 31.823 -0.064 0.000 1.019 52 V HN 0.461 nan 8.190 nan 0.000 0.434 53 E N 6.482 126.572 120.200 -0.183 0.000 2.354 53 E HA 0.333 4.682 4.350 -0.003 0.000 0.269 53 E C -2.410 174.267 176.600 0.127 0.000 1.036 53 E CA -2.392 53.978 56.400 -0.050 0.000 0.876 53 E CB 0.776 30.417 29.700 -0.098 0.000 1.009 53 E HN 0.351 nan 8.360 nan 0.000 0.416 54 P HA 0.173 nan 4.420 nan 0.000 0.277 54 P C -0.032 177.406 177.300 0.230 0.000 1.240 54 P CA -0.444 62.749 63.100 0.156 0.000 0.798 54 P CB 0.926 32.682 31.700 0.094 0.000 0.979 55 L N 3.854 125.190 121.223 0.189 0.000 2.418 55 L HA 0.181 4.519 4.340 -0.003 0.000 0.274 55 L C -1.459 175.464 176.870 0.088 0.000 1.135 55 L CA -1.361 53.557 54.840 0.130 0.000 0.870 55 L CB 0.165 42.305 42.059 0.135 0.000 1.154 55 L HN 0.250 nan 8.230 nan 0.000 0.462 56 P HA 0.134 nan 4.420 nan 0.000 0.293 56 P C -0.780 176.542 177.300 0.036 0.000 1.313 56 P CA -0.653 62.479 63.100 0.053 0.000 0.787 56 P CB 1.094 32.830 31.700 0.060 0.000 0.910 57 E N 2.395 122.608 120.200 0.022 0.000 2.710 57 E HA 0.275 4.623 4.350 -0.003 0.000 0.299 57 E C 0.800 177.399 176.600 -0.000 0.000 1.132 57 E CA 0.447 56.846 56.400 -0.001 0.000 1.220 57 E CB -1.072 28.625 29.700 -0.006 0.000 1.058 57 E HN 0.710 nan 8.360 nan 0.000 0.472 58 G N 2.149 110.955 108.800 0.011 0.000 1.882 58 G HA2 0.148 4.106 3.960 -0.003 0.000 0.256 58 G HA3 0.148 4.106 3.960 -0.003 0.000 0.256 58 G C -2.833 172.100 174.900 0.056 0.000 2.065 58 G CA -1.140 43.971 45.100 0.020 0.000 0.882 58 G HN 0.018 nan 8.290 nan 0.000 0.574 59 P HA 0.262 nan 4.420 nan 0.000 0.238 59 P C -0.412 176.958 177.300 0.117 0.000 1.090 59 P CA 0.535 63.742 63.100 0.178 0.000 0.944 59 P CB 0.130 31.909 31.700 0.131 0.000 0.881 60 L N 4.919 126.189 121.223 0.078 0.000 2.789 60 L HA 0.557 4.895 4.340 -0.003 0.000 0.254 60 L C -2.722 174.148 176.870 0.001 0.000 0.952 60 L CA -0.934 53.925 54.840 0.031 0.000 0.942 60 L CB 2.507 44.591 42.059 0.041 0.000 1.502 60 L HN 0.180 nan 8.230 nan 0.000 0.425 61 P HA 0.576 nan 4.420 nan 0.000 0.204 61 P C -1.972 175.327 177.300 -0.001 0.000 1.739 61 P CA -0.460 62.649 63.100 0.015 0.000 1.418 61 P CB 1.973 33.692 31.700 0.032 0.000 1.353 62 V N 1.900 121.793 119.914 -0.035 0.000 3.087 62 V HA 0.267 4.385 4.120 -0.003 0.000 0.306 62 V C 0.413 176.479 176.094 -0.046 0.000 1.187 62 V CA -0.369 61.905 62.300 -0.044 0.000 0.999 62 V CB 2.846 34.623 31.823 -0.077 0.000 1.049 62 V HN 0.250 nan 8.190 nan 0.000 0.431 63 D N 1.504 121.886 120.400 -0.030 0.000 2.137 63 D HA 0.095 4.733 4.640 -0.003 0.000 0.202 63 D C 0.027 176.305 176.300 -0.037 0.000 0.970 63 D CA 1.383 55.367 54.000 -0.027 0.000 0.837 63 D CB 0.491 41.283 40.800 -0.012 0.000 0.981 63 D HN 0.239 nan 8.370 nan 0.000 0.475 64 L N 0.081 121.277 121.223 -0.045 0.000 2.431 64 L HA 0.435 4.773 4.340 -0.003 0.000 0.266 64 L C -1.538 175.252 176.870 -0.133 0.000 0.978 64 L CA -0.798 54.002 54.840 -0.066 0.000 0.822 64 L CB 2.414 44.468 42.059 -0.010 0.000 1.310 64 L HN -0.284 nan 8.230 nan 0.000 0.409 65 V N 6.578 126.389 119.914 -0.172 0.000 2.407 65 V HA 0.549 4.667 4.120 -0.003 0.000 0.291 65 V C -1.070 174.908 176.094 -0.193 0.000 1.018 65 V CA -0.339 61.806 62.300 -0.259 0.000 0.842 65 V CB 1.568 33.137 31.823 -0.422 0.000 0.996 65 V HN 0.714 nan 8.190 nan 0.000 0.426 66 L N 7.610 128.721 121.223 -0.186 0.000 2.314 66 L HA 0.663 5.001 4.340 -0.003 0.000 0.275 66 L C 0.739 177.546 176.870 -0.105 0.000 1.068 66 L CA 0.105 54.859 54.840 -0.143 0.000 0.894 66 L CB 1.231 43.186 42.059 -0.174 0.000 1.275 66 L HN 0.760 nan 8.230 nan 0.000 0.432 67 A N 1.744 124.535 122.820 -0.049 0.000 2.404 67 A HA 0.481 4.799 4.320 -0.003 0.000 0.273 67 A C 0.694 178.295 177.584 0.029 0.000 1.144 67 A CA -0.001 52.051 52.037 0.024 0.000 0.806 67 A CB 0.551 19.642 19.000 0.151 0.000 1.080 67 A HN 0.533 nan 8.150 nan 0.000 0.509 68 S N 1.654 117.370 115.700 0.026 0.000 2.825 68 S HA 0.473 4.942 4.470 -0.003 0.000 0.242 68 S C -0.071 174.549 174.600 0.032 0.000 0.980 68 S CA 0.418 58.629 58.200 0.018 0.000 1.107 68 S CB -0.311 62.883 63.200 -0.011 0.000 1.172 68 S HN 1.629 nan 8.310 nan 0.000 0.483 69 A N 1.133 123.990 122.820 0.061 0.000 3.214 69 A HA 0.742 5.061 4.320 -0.003 0.000 0.304 69 A C 0.933 178.554 177.584 0.061 0.000 0.969 69 A CA -0.062 52.014 52.037 0.065 0.000 0.986 69 A CB -0.589 18.468 19.000 0.095 0.000 1.073 69 A HN 1.648 nan 8.150 nan 0.000 0.487 70 G N -0.526 108.298 108.800 0.039 0.000 2.880 70 G HA2 0.130 4.089 3.960 -0.003 0.000 0.617 70 G HA3 0.130 4.089 3.960 -0.003 0.000 0.617 70 G C 0.895 175.807 174.900 0.019 0.000 1.493 70 G CA -0.254 44.860 45.100 0.023 0.000 0.916 70 G HN 1.447 nan 8.290 nan 0.000 0.553 71 G N -0.263 108.528 108.800 -0.015 0.000 2.683 71 G HA2 0.402 4.361 3.960 -0.003 0.000 0.213 71 G HA3 0.402 4.361 3.960 -0.003 0.000 0.213 71 G C 1.742 176.603 174.900 -0.064 0.000 1.142 71 G CA 1.515 46.580 45.100 -0.058 0.000 0.793 71 G HN 1.683 nan 8.290 nan 0.000 0.534 72 G N 1.829 110.609 108.800 -0.034 0.000 2.511 72 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.216 72 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.216 72 G C 1.712 176.597 174.900 -0.024 0.000 1.218 72 G CA 1.111 46.192 45.100 -0.032 0.000 0.788 72 G HN 0.414 nan 8.290 nan 0.000 0.560 73 I N 0.644 121.218 120.570 0.007 0.000 2.252 73 I HA -0.135 4.034 4.170 -0.003 0.000 0.245 73 I C 2.973 179.096 176.117 0.011 0.000 1.102 73 I CA 1.345 62.654 61.300 0.015 0.000 1.385 73 I CB -0.453 37.594 38.000 0.079 0.000 1.064 73 I HN 0.297 nan 8.210 nan 0.000 0.414 74 S N 0.991 116.739 115.700 0.081 0.000 2.368 74 S HA -0.228 4.240 4.470 -0.003 0.000 0.225 74 S C 2.243 176.990 174.600 0.245 0.000 1.030 74 S CA 1.488 59.804 58.200 0.194 0.000 0.999 74 S CB -0.207 63.133 63.200 0.233 0.000 0.844 74 S HN 0.245 nan 8.310 nan 0.000 0.459 75 R N 1.074 121.559 120.500 -0.025 0.000 2.105 75 R HA 0.109 4.447 4.340 -0.003 0.000 0.239 75 R C 2.288 178.641 176.300 0.089 0.000 1.135 75 R CA 1.626 57.603 56.100 -0.204 0.000 0.967 75 R CB -0.911 29.207 30.300 -0.304 0.000 0.861 75 R HN 0.494 nan 8.270 nan 0.000 0.442 76 A N -0.239 122.588 122.820 0.012 0.000 1.970 76 A HA -0.026 4.293 4.320 -0.003 0.000 0.216 76 A C 1.452 178.948 177.584 -0.146 0.000 1.170 76 A CA 1.111 53.126 52.037 -0.037 0.000 0.645 76 A CB -0.003 18.954 19.000 -0.071 0.000 0.816 76 A HN 0.098 nan 8.150 nan 0.000 0.447 77 K N -0.783 119.434 120.400 -0.304 0.000 2.370 77 K HA 0.389 4.707 4.320 -0.003 0.000 0.194 77 K C 1.993 178.122 176.600 -0.785 0.000 1.070 77 K CA 0.815 56.590 56.287 -0.852 0.000 0.998 77 K CB -0.732 30.667 32.500 -1.835 0.000 0.911 77 K HN 0.308 nan 8.250 nan 0.000 0.533 78 A N 3.231 125.916 122.820 -0.224 0.000 1.891 78 A HA -0.262 4.057 4.320 -0.003 0.000 0.221 78 A C 2.037 179.496 177.584 -0.208 0.000 1.394 78 A CA 2.074 54.027 52.037 -0.140 0.000 0.730 78 A CB -1.029 17.691 19.000 -0.466 0.000 0.845 78 A HN 0.134 nan 8.150 nan 0.000 0.471 79 L N -0.162 120.904 121.223 -0.262 0.000 2.021 79 L HA -0.228 4.110 4.340 -0.003 0.000 0.215 79 L C 2.795 179.585 176.870 -0.134 0.000 1.074 79 L CA 2.388 57.113 54.840 -0.190 0.000 0.760 79 L CB -2.050 39.914 42.059 -0.159 0.000 0.889 79 L HN 0.438 nan 8.230 nan 0.000 0.433 80 V N -2.379 117.413 119.914 -0.203 0.000 2.370 80 V HA -0.294 3.824 4.120 -0.003 0.000 0.252 80 V C 2.320 178.390 176.094 -0.041 0.000 1.068 80 V CA 1.758 63.943 62.300 -0.192 0.000 1.061 80 V CB -0.932 30.676 31.823 -0.358 0.000 0.656 80 V HN 0.373 nan 8.190 nan 0.000 0.455 81 W N 0.440 121.699 121.300 -0.069 0.000 2.452 81 W HA 0.225 4.883 4.660 -0.003 0.000 0.313 81 W C 2.862 179.335 176.519 -0.077 0.000 1.176 81 W CA 0.943 58.242 57.345 -0.077 0.000 1.350 81 W CB -1.413 27.997 29.460 -0.083 0.000 1.148 81 W HN 0.305 nan 8.180 nan 0.000 0.498 82 A N 0.301 123.215 122.820 0.156 0.000 2.076 82 A HA -0.224 4.094 4.320 -0.003 0.000 0.220 82 A C 1.961 179.563 177.584 0.030 0.000 1.160 82 A CA 1.923 53.991 52.037 0.051 0.000 0.653 82 A CB -0.732 18.267 19.000 -0.003 0.000 0.801 82 A HN 0.418 nan 8.150 nan 0.000 0.455 83 E N -0.200 120.013 120.200 0.023 0.000 2.107 83 E HA -0.093 4.256 4.350 -0.003 0.000 0.191 83 E C 1.916 178.528 176.600 0.019 0.000 0.982 83 E CA 0.880 57.281 56.400 0.001 0.000 0.809 83 E CB -0.360 29.328 29.700 -0.022 0.000 0.756 83 E HN 0.506 nan 8.360 nan 0.000 0.459 84 G N -0.015 108.815 108.800 0.050 0.000 2.708 84 G HA2 -0.012 3.947 3.960 -0.003 0.000 0.210 84 G HA3 -0.012 3.947 3.960 -0.003 0.000 0.210 84 G C 1.013 175.930 174.900 0.028 0.000 1.141 84 G CA 0.479 45.607 45.100 0.046 0.000 0.788 84 G HN 0.494 nan 8.290 nan 0.000 0.531 85 G N -1.703 107.113 108.800 0.026 0.000 2.132 85 G HA2 0.174 4.132 3.960 -0.003 0.000 0.228 85 G HA3 0.174 4.132 3.960 -0.003 0.000 0.228 85 G C 0.262 175.167 174.900 0.008 0.000 1.000 85 G CA 0.131 45.241 45.100 0.016 0.000 0.693 85 G HN 1.346 nan 8.290 nan 0.000 0.515 86 A N -0.358 122.468 122.820 0.009 0.000 2.305 86 A HA 0.824 5.142 4.320 -0.003 0.000 0.322 86 A C 0.124 177.685 177.584 -0.037 0.000 1.187 86 A CA -0.535 51.488 52.037 -0.023 0.000 0.825 86 A CB 1.251 20.220 19.000 -0.052 0.000 1.164 86 A HN 1.315 nan 8.150 nan 0.000 0.498 87 L N 3.302 124.484 121.223 -0.068 0.000 2.319 87 L HA 0.444 4.783 4.340 -0.003 0.000 0.280 87 L C -0.545 176.247 176.870 -0.131 0.000 1.099 87 L CA 0.262 55.021 54.840 -0.134 0.000 0.828 87 L CB 1.106 43.089 42.059 -0.127 0.000 1.150 87 L HN 0.427 nan 8.230 nan 0.000 0.442 88 V N 6.046 125.872 119.914 -0.146 0.000 2.357 88 V HA 0.400 4.518 4.120 -0.003 0.000 0.284 88 V C -0.346 175.692 176.094 -0.094 0.000 1.018 88 V CA -0.713 61.538 62.300 -0.083 0.000 0.841 88 V CB 1.463 33.291 31.823 0.008 0.000 0.991 88 V HN 0.464 nan 8.190 nan 0.000 0.437 89 V N 3.757 123.627 119.914 -0.073 0.000 2.357 89 V HA 0.455 4.574 4.120 -0.003 0.000 0.284 89 V C -0.537 175.548 176.094 -0.014 0.000 1.018 89 V CA -0.422 61.841 62.300 -0.060 0.000 0.841 89 V CB 1.658 33.433 31.823 -0.080 0.000 0.991 89 V HN 0.959 nan 8.190 nan 0.000 0.437 90 D N 3.142 123.557 120.400 0.025 0.000 2.391 90 D HA 0.279 4.918 4.640 -0.003 0.000 0.245 90 D C 0.598 176.920 176.300 0.037 0.000 1.069 90 D CA -0.454 53.591 54.000 0.074 0.000 0.831 90 D CB 1.622 42.536 40.800 0.190 0.000 1.204 90 D HN 0.444 nan 8.370 nan 0.000 0.503 91 N N 1.945 120.659 118.700 0.023 0.000 2.398 91 N HA -0.003 4.735 4.740 -0.003 0.000 0.188 91 N C -0.153 175.362 175.510 0.010 0.000 1.122 91 N CA -0.036 53.017 53.050 0.005 0.000 0.866 91 N CB 0.243 38.727 38.487 -0.005 0.000 0.970 91 N HN 0.346 nan 8.380 nan 0.000 0.462 92 S N -1.667 114.047 115.700 0.023 0.000 2.707 92 S HA 0.317 4.786 4.470 -0.003 0.000 0.276 92 S C 0.073 174.652 174.600 -0.036 0.000 1.179 92 S CA -0.760 57.443 58.200 0.004 0.000 0.992 92 S CB 1.296 64.504 63.200 0.013 0.000 1.030 92 S HN 0.009 nan 8.310 nan 0.000 0.554 93 S N 0.060 115.727 115.700 -0.056 0.000 2.475 93 S HA 0.658 5.127 4.470 -0.003 0.000 0.249 93 S C 0.259 174.751 174.600 -0.179 0.000 1.298 93 S CA -0.144 57.990 58.200 -0.110 0.000 1.125 93 S CB -0.421 62.803 63.200 0.040 0.000 1.054 93 S HN 0.982 nan 8.310 nan 0.000 0.484 94 A N 3.400 126.027 122.820 -0.322 0.000 1.895 94 A HA 0.364 4.683 4.320 -0.003 0.000 0.198 94 A C 0.655 177.713 177.584 -0.876 0.000 1.709 94 A CA -0.275 51.400 52.037 -0.603 0.000 1.194 94 A CB -0.152 18.423 19.000 -0.708 0.000 1.260 94 A HN 0.758 nan 8.150 nan 0.000 0.441 95 W N 0.153 121.301 121.300 -0.254 0.000 2.870 95 W HA 0.384 5.043 4.660 -0.002 0.000 0.358 95 W C 1.803 178.044 176.519 -0.464 0.000 1.043 95 W CA -0.370 56.755 57.345 -0.367 0.000 1.692 95 W CB 0.417 29.693 29.460 -0.306 0.000 1.100 95 W HN 0.123 nan 8.180 nan 0.000 0.557 96 R N 0.418 120.668 120.500 -0.416 0.000 2.094 96 R HA -0.182 4.156 4.340 -0.003 0.000 0.239 96 R C 0.488 176.422 176.300 -0.610 0.000 1.137 96 R CA 1.613 57.344 56.100 -0.614 0.000 0.943 96 R CB -0.667 29.010 30.300 -1.039 0.000 0.850 96 R HN 0.185 nan 8.270 nan 0.000 0.433 97 Y N 1.342 121.587 120.300 -0.091 0.000 2.775 97 Y HA 0.198 4.746 4.550 -0.003 0.000 0.349 97 Y C -0.398 175.407 175.900 -0.159 0.000 1.094 97 Y CA -0.413 57.616 58.100 -0.118 0.000 1.467 97 Y CB -0.342 38.027 38.460 -0.152 0.000 1.272 97 Y HN -0.150 nan 8.280 nan 0.000 0.515 98 E N -0.224 119.862 120.200 -0.190 0.000 2.165 98 E HA 0.280 4.628 4.350 -0.003 0.000 0.266 98 E C -2.227 174.242 176.600 -0.218 0.000 0.889 98 E CA -2.731 53.508 56.400 -0.269 0.000 0.756 98 E CB 1.646 30.996 29.700 -0.583 0.000 1.131 98 E HN 0.068 nan 8.360 nan 0.000 0.411 99 P HA -0.161 nan 4.420 nan 0.000 0.222 99 P C 0.676 178.068 177.300 0.155 0.000 1.139 99 P CA 1.261 64.399 63.100 0.064 0.000 0.790 99 P CB -0.018 31.750 31.700 0.113 0.000 0.757 100 W N -2.171 119.159 121.300 0.051 0.000 3.103 100 W HA 0.379 5.037 4.660 -0.003 0.000 0.325 100 W C -0.850 175.688 176.519 0.030 0.000 1.170 100 W CA -0.119 57.247 57.345 0.034 0.000 1.712 100 W CB -0.330 29.145 29.460 0.025 0.000 1.068 100 W HN -0.413 nan 8.180 nan 0.000 0.592 101 V N 5.103 124.904 119.914 -0.188 0.000 2.417 101 V HA 0.409 4.528 4.120 -0.003 0.000 0.291 101 V C -1.801 174.258 176.094 -0.059 0.000 1.024 101 V CA -2.252 59.963 62.300 -0.141 0.000 0.861 101 V CB 1.338 32.966 31.823 -0.325 0.000 0.985 101 V HN -0.190 nan 8.190 nan 0.000 0.436 102 P HA 0.231 nan 4.420 nan 0.000 0.280 102 P C -0.966 176.314 177.300 -0.034 0.000 1.244 102 P CA -0.388 62.709 63.100 -0.005 0.000 0.784 102 P CB 1.762 33.468 31.700 0.010 0.000 0.913 103 L N 5.361 126.567 121.223 -0.029 0.000 2.277 103 L HA 0.331 4.670 4.340 -0.003 0.000 0.284 103 L C -0.790 176.065 176.870 -0.024 0.000 1.028 103 L CA -0.498 54.322 54.840 -0.033 0.000 0.835 103 L CB 0.773 42.819 42.059 -0.021 0.000 1.215 103 L HN 0.081 nan 8.230 nan 0.000 0.425 104 V N 5.141 125.032 119.914 -0.039 0.000 2.715 104 V HA 0.663 4.782 4.120 -0.003 0.000 0.310 104 V C -0.574 175.494 176.094 -0.043 0.000 1.054 104 V CA -0.759 61.510 62.300 -0.051 0.000 0.928 104 V CB 2.187 33.965 31.823 -0.075 0.000 1.007 104 V HN 0.371 nan 8.190 nan 0.000 0.437 105 V N 5.043 124.922 119.914 -0.057 0.000 2.462 105 V HA 0.274 4.393 4.120 -0.003 0.000 0.288 105 V C -1.905 174.140 176.094 -0.082 0.000 1.020 105 V CA -1.229 61.045 62.300 -0.043 0.000 0.857 105 V CB 1.894 33.711 31.823 -0.009 0.000 1.013 105 V HN 0.680 nan 8.190 nan 0.000 0.431 106 P HA -0.187 nan 4.420 nan 0.000 0.219 106 P C 1.083 178.352 177.300 -0.050 0.000 1.145 106 P CA 1.240 64.312 63.100 -0.046 0.000 0.813 106 P CB 0.416 32.108 31.700 -0.012 0.000 0.771 107 E N -1.662 118.505 120.200 -0.055 0.000 2.285 107 E HA -0.040 4.308 4.350 -0.003 0.000 0.194 107 E C 1.588 178.045 176.600 -0.238 0.000 0.997 107 E CA 0.541 56.920 56.400 -0.035 0.000 0.845 107 E CB -0.472 29.263 29.700 0.058 0.000 0.782 107 E HN 0.132 nan 8.360 nan 0.000 0.491 108 V N 0.949 120.587 119.914 -0.460 0.000 3.608 108 V HA -0.018 4.100 4.120 -0.003 0.000 0.203 108 V C 0.538 176.310 176.094 -0.537 0.000 1.154 108 V CA 0.596 62.312 62.300 -0.974 0.000 1.386 108 V CB -0.457 30.721 31.823 -1.075 0.000 1.486 108 V HN 0.255 nan 8.190 nan 0.000 0.491 109 N N 1.262 119.738 118.700 -0.373 0.000 2.597 109 N HA 0.041 4.780 4.740 -0.003 0.000 0.269 109 N C 1.122 176.561 175.510 -0.117 0.000 1.204 109 N CA -0.048 52.884 53.050 -0.196 0.000 0.947 109 N CB -0.562 37.842 38.487 -0.139 0.000 1.258 109 N HN 0.411 nan 8.380 nan 0.000 0.508 110 R N 1.659 122.098 120.500 -0.102 0.000 2.174 110 R HA -0.267 4.072 4.340 -0.003 0.000 0.253 110 R C 0.977 177.226 176.300 -0.086 0.000 1.165 110 R CA 1.788 57.839 56.100 -0.082 0.000 0.984 110 R CB -0.136 30.157 30.300 -0.012 0.000 0.873 110 R HN 0.496 nan 8.270 nan 0.000 0.456 111 E N 0.925 121.122 120.200 -0.004 0.000 2.147 111 E HA -0.232 4.117 4.350 -0.003 0.000 0.199 111 E C 1.369 177.980 176.600 0.017 0.000 1.005 111 E CA 1.164 57.605 56.400 0.069 0.000 0.810 111 E CB -0.272 29.468 29.700 0.065 0.000 0.736 111 E HN 0.340 nan 8.360 nan 0.000 0.460 112 K N 0.910 121.282 120.400 -0.048 0.000 2.283 112 K HA 0.058 4.376 4.320 -0.003 0.000 0.202 112 K C 2.275 178.803 176.600 -0.119 0.000 1.048 112 K CA 0.358 56.617 56.287 -0.047 0.000 0.948 112 K CB -0.442 32.038 32.500 -0.034 0.000 0.742 112 K HN 0.297 nan 8.250 nan 0.000 0.458 113 I N 0.334 120.717 120.570 -0.310 0.000 2.248 113 I HA -0.268 3.900 4.170 -0.003 0.000 0.248 113 I C 1.083 176.949 176.117 -0.419 0.000 1.107 113 I CA 1.406 62.421 61.300 -0.475 0.000 1.373 113 I CB -0.286 37.177 38.000 -0.895 0.000 1.055 113 I HN -0.012 nan 8.210 nan 0.000 0.418 114 F N -0.293 119.701 119.950 0.074 0.000 2.692 114 F HA 0.117 4.644 4.527 -0.001 0.000 0.303 114 F C 2.090 177.850 175.800 -0.067 0.000 1.114 114 F CA 0.106 58.107 58.000 0.001 0.000 1.361 114 F CB -0.522 38.478 39.000 0.001 0.000 1.063 114 F HN 0.068 nan 8.300 nan 0.000 0.550 115 Q N 0.052 119.881 119.800 0.048 0.000 2.282 115 Q HA 0.006 4.345 4.340 -0.003 0.000 0.206 115 Q C 0.436 176.453 176.000 0.028 0.000 0.878 115 Q CA -0.150 55.673 55.803 0.034 0.000 0.944 115 Q CB 0.134 28.903 28.738 0.052 0.000 1.100 115 Q HN 0.581 nan 8.270 nan 0.000 0.509 116 H N -1.354 117.738 119.070 0.038 0.000 2.757 116 H HA 0.131 4.685 4.556 -0.002 0.000 0.370 116 H C 0.039 175.403 175.328 0.059 0.000 1.172 116 H CA 0.235 56.311 56.048 0.045 0.000 1.426 116 H CB 0.629 30.395 29.762 0.007 0.000 1.438 116 H HN -0.099 nan 8.280 nan 0.000 0.612 117 R N 1.294 122.006 120.500 0.353 0.000 2.590 117 R HA 0.260 4.599 4.340 -0.003 0.000 0.410 117 R C 0.388 176.861 176.300 0.289 0.000 1.010 117 R CA 0.366 56.578 56.100 0.186 0.000 1.155 117 R CB 0.979 31.309 30.300 0.050 0.000 1.455 117 R HN 1.017 nan 8.270 nan 0.000 0.567 118 G N 0.101 109.199 108.800 0.498 0.000 3.511 118 G HA2 -0.020 3.939 3.960 -0.003 0.000 0.218 118 G HA3 -0.020 3.939 3.960 -0.003 0.000 0.218 118 G C -0.240 174.602 174.900 -0.096 0.000 1.001 118 G CA -0.504 44.657 45.100 0.101 0.000 0.877 118 G HN 0.015 nan 8.290 nan 0.000 0.450 119 I N 1.110 121.645 120.570 -0.058 0.000 3.074 119 I HA 0.674 4.842 4.170 -0.003 0.000 0.310 119 I C -0.700 175.352 176.117 -0.108 0.000 1.153 119 I CA -1.256 59.960 61.300 -0.140 0.000 0.993 119 I CB 1.855 39.722 38.000 -0.222 0.000 1.237 119 I HN 0.027 nan 8.210 nan 0.000 0.443 120 I N 1.988 122.489 120.570 -0.115 0.000 2.571 120 I HA 0.461 4.630 4.170 -0.003 0.000 0.289 120 I C -0.205 175.878 176.117 -0.056 0.000 1.115 120 I CA -0.705 60.548 61.300 -0.079 0.000 1.045 120 I CB 2.332 40.270 38.000 -0.103 0.000 1.238 120 I HN 0.695 nan 8.210 nan 0.000 0.424 121 A N 4.718 127.508 122.820 -0.050 0.000 2.320 121 A HA 0.417 4.736 4.320 -0.003 0.000 0.287 121 A C -0.314 177.242 177.584 -0.046 0.000 1.181 121 A CA -0.290 51.721 52.037 -0.043 0.000 0.831 121 A CB 0.238 19.188 19.000 -0.084 0.000 1.102 121 A HN 0.723 nan 8.150 nan 0.000 0.513 122 N N 3.256 121.936 118.700 -0.034 0.000 2.458 122 N HA 0.398 5.137 4.740 -0.003 0.000 0.270 122 N C -2.287 173.207 175.510 -0.028 0.000 1.102 122 N CA -1.423 51.608 53.050 -0.031 0.000 0.967 122 N CB 1.047 39.519 38.487 -0.025 0.000 1.078 122 N HN 0.416 nan 8.380 nan 0.000 0.471 123 P HA -0.028 nan 4.420 nan 0.000 0.271 123 P C -0.398 176.910 177.300 0.014 0.000 1.244 123 P CA -0.243 62.857 63.100 0.000 0.000 0.793 123 P CB 0.690 32.398 31.700 0.012 0.000 0.984 124 N N -0.542 118.177 118.700 0.032 0.000 2.288 124 N HA -0.026 4.712 4.740 -0.003 0.000 0.237 124 N C 1.467 177.009 175.510 0.052 0.000 1.311 124 N CA -0.248 52.830 53.050 0.045 0.000 0.909 124 N CB 0.578 39.096 38.487 0.051 0.000 1.167 124 N HN 0.497 nan 8.380 nan 0.000 0.476 125 C N -0.429 118.918 119.300 0.078 0.000 2.548 125 C HA -0.041 4.417 4.460 -0.003 0.000 0.284 125 C C 2.551 177.630 174.990 0.149 0.000 1.252 125 C CA 1.119 60.199 59.018 0.102 0.000 1.725 125 C CB -1.595 26.233 27.740 0.148 0.000 2.098 125 C HN 0.778 nan 8.230 nan 0.000 0.471 126 T N 1.077 115.745 114.554 0.191 0.000 2.760 126 T HA -0.184 4.164 4.350 -0.003 0.000 0.269 126 T C 1.722 176.460 174.700 0.063 0.000 1.047 126 T CA 2.482 64.654 62.100 0.121 0.000 1.139 126 T CB -0.756 68.109 68.868 -0.004 0.000 0.855 126 T HN 0.753 nan 8.240 nan 0.000 0.471 127 T N 1.233 115.813 114.554 0.043 0.000 2.894 127 T HA 0.194 4.542 4.350 -0.003 0.000 0.258 127 T C 2.408 177.146 174.700 0.063 0.000 1.043 127 T CA 0.799 62.912 62.100 0.021 0.000 1.141 127 T CB -0.465 68.399 68.868 -0.006 0.000 0.873 127 T HN 0.436 nan 8.240 nan 0.000 0.449 128 A N 2.311 125.172 122.820 0.069 0.000 1.842 128 A HA -0.135 4.183 4.320 -0.003 0.000 0.217 128 A C 2.298 179.949 177.584 0.112 0.000 1.206 128 A CA 2.093 54.179 52.037 0.082 0.000 0.630 128 A CB -1.097 17.939 19.000 0.059 0.000 0.839 128 A HN 0.645 nan 8.150 nan 0.000 0.447 129 I N -1.538 119.096 120.570 0.106 0.000 2.118 129 I HA -0.241 3.927 4.170 -0.003 0.000 0.241 129 I C 2.158 178.364 176.117 0.149 0.000 1.070 129 I CA 2.309 63.680 61.300 0.119 0.000 1.327 129 I CB -0.346 37.716 38.000 0.103 0.000 1.034 129 I HN 0.265 nan 8.210 nan 0.000 0.405 130 L N 1.555 122.862 121.223 0.141 0.000 2.129 130 L HA -0.165 4.174 4.340 -0.003 0.000 0.212 130 L C 2.464 179.492 176.870 0.264 0.000 1.087 130 L CA 2.090 57.036 54.840 0.178 0.000 0.757 130 L CB -1.140 40.989 42.059 0.116 0.000 0.896 130 L HN 0.466 nan 8.230 nan 0.000 0.434 131 A N -1.500 121.483 122.820 0.273 0.000 1.898 131 A HA -0.172 4.146 4.320 -0.003 0.000 0.214 131 A C 2.261 180.080 177.584 0.391 0.000 1.183 131 A CA 1.392 53.697 52.037 0.447 0.000 0.622 131 A CB -0.567 18.692 19.000 0.431 0.000 0.824 131 A HN 0.440 nan 8.150 nan 0.000 0.444 132 M N 0.034 119.793 119.600 0.265 0.000 2.255 132 M HA -0.198 4.281 4.480 -0.003 0.000 0.259 132 M C 1.823 178.256 176.300 0.221 0.000 1.071 132 M CA 1.830 57.263 55.300 0.221 0.000 1.074 132 M CB -0.253 32.443 32.600 0.160 0.000 1.384 132 M HN 0.444 nan 8.290 nan 0.000 0.415 133 A N -1.872 121.086 122.820 0.230 0.000 1.984 133 A HA 0.188 4.507 4.320 -0.003 0.000 0.203 133 A C 1.717 179.417 177.584 0.194 0.000 1.292 133 A CA 0.218 52.357 52.037 0.170 0.000 0.782 133 A CB -0.524 18.576 19.000 0.166 0.000 0.924 133 A HN 0.404 nan 8.150 nan 0.000 0.475 134 L N -0.572 120.857 121.223 0.343 0.000 2.552 134 L HA 0.029 4.367 4.340 -0.003 0.000 0.227 134 L C 1.843 178.968 176.870 0.425 0.000 1.146 134 L CA 0.740 55.838 54.840 0.429 0.000 0.858 134 L CB -0.362 42.021 42.059 0.541 0.000 0.969 134 L HN 0.703 nan 8.230 nan 0.000 0.451 135 W N 2.081 123.480 121.300 0.165 0.000 2.380 135 W HA -0.132 4.526 4.660 -0.003 0.000 0.317 135 W C -0.645 175.855 176.519 -0.033 0.000 1.196 135 W CA 1.107 58.413 57.345 -0.064 0.000 1.307 135 W CB -1.122 28.297 29.460 -0.070 0.000 1.157 135 W HN 0.129 nan 8.180 nan 0.000 0.483 136 P HA -0.172 nan 4.420 nan 0.000 0.220 136 P C 1.621 178.668 177.300 -0.421 0.000 1.148 136 P CA 1.358 64.157 63.100 -0.503 0.000 0.803 136 P CB -0.191 31.373 31.700 -0.227 0.000 0.782 137 L N -0.768 120.353 121.223 -0.169 0.000 2.072 137 L HA -0.088 4.251 4.340 -0.003 0.000 0.205 137 L C 2.824 179.736 176.870 0.071 0.000 1.079 137 L CA 1.697 56.548 54.840 0.018 0.000 0.752 137 L CB -2.350 39.900 42.059 0.317 0.000 0.906 137 L HN 0.084 nan 8.230 nan 0.000 0.436 138 H N 1.323 120.368 119.070 -0.041 0.000 2.253 138 H HA -0.192 4.362 4.556 -0.003 0.000 0.296 138 H C 2.395 177.544 175.328 -0.299 0.000 1.067 138 H CA 2.401 58.416 56.048 -0.055 0.000 1.245 138 H CB -0.158 29.531 29.762 -0.122 0.000 1.364 138 H HN 0.247 nan 8.280 nan 0.000 0.494 139 R N 0.389 120.349 120.500 -0.900 0.000 2.140 139 R HA -0.188 4.150 4.340 -0.003 0.000 0.250 139 R C 2.368 178.316 176.300 -0.586 0.000 1.150 139 R CA 1.879 57.464 56.100 -0.858 0.000 0.966 139 R CB -0.991 28.735 30.300 -0.958 0.000 0.869 139 R HN 0.405 nan 8.270 nan 0.000 0.445 140 A N 0.550 122.989 122.820 -0.636 0.000 1.878 140 A HA 0.083 4.401 4.320 -0.003 0.000 0.213 140 A C 1.405 178.599 177.584 -0.650 0.000 1.192 140 A CA 0.673 52.255 52.037 -0.758 0.000 0.619 140 A CB -0.063 18.211 19.000 -1.211 0.000 0.837 140 A HN 0.365 nan 8.150 nan 0.000 0.446 141 F N -0.426 119.416 119.950 -0.181 0.000 2.682 141 F HA 0.310 4.836 4.527 -0.002 0.000 0.308 141 F C 0.261 176.145 175.800 0.141 0.000 1.093 141 F CA -0.558 57.378 58.000 -0.106 0.000 1.244 141 F CB -0.335 38.394 39.000 -0.450 0.000 1.052 141 F HN 0.167 nan 8.300 nan 0.000 0.573 142 Q N 0.893 120.821 119.800 0.213 0.000 2.857 142 Q HA -0.154 4.184 4.340 -0.003 0.000 0.120 142 Q C 0.120 176.381 176.000 0.435 0.000 1.512 142 Q CA 0.508 56.453 55.803 0.237 0.000 0.484 142 Q CB -0.360 28.452 28.738 0.123 0.000 0.656 142 Q HN 0.452 nan 8.270 nan 0.000 0.318 143 A N 3.541 126.633 122.820 0.453 0.000 2.240 143 A HA 0.573 4.892 4.320 -0.003 0.000 0.292 143 A C 0.741 178.374 177.584 0.082 0.000 1.121 143 A CA 0.488 52.612 52.037 0.145 0.000 0.851 143 A CB 0.534 19.593 19.000 0.098 0.000 1.167 143 A HN 0.758 nan 8.150 nan 0.000 0.503 144 K N -1.661 118.697 120.400 -0.070 0.000 2.596 144 K HA 0.297 4.616 4.320 -0.003 0.000 0.202 144 K C -0.110 176.415 176.600 -0.125 0.000 1.638 144 K CA -0.169 56.083 56.287 -0.058 0.000 1.022 144 K CB 0.687 33.148 32.500 -0.065 0.000 1.382 144 K HN 0.438 nan 8.250 nan 0.000 0.622 145 R N 1.480 121.854 120.500 -0.211 0.000 2.658 145 R HA 0.298 4.636 4.340 -0.003 0.000 0.287 145 R C -1.976 174.219 176.300 -0.177 0.000 1.209 145 R CA -0.357 55.607 56.100 -0.226 0.000 1.046 145 R CB 2.031 32.087 30.300 -0.407 0.000 1.247 145 R HN -0.015 nan 8.270 nan 0.000 0.405 146 V N 5.705 125.578 119.914 -0.069 0.000 2.495 146 V HA 0.572 4.690 4.120 -0.003 0.000 0.298 146 V C -0.065 176.031 176.094 0.003 0.000 1.031 146 V CA -0.665 61.623 62.300 -0.019 0.000 0.871 146 V CB 2.024 33.837 31.823 -0.017 0.000 0.988 146 V HN 0.623 nan 8.190 nan 0.000 0.432 147 I N 5.383 125.973 120.570 0.034 0.000 2.537 147 I HA 0.396 4.564 4.170 -0.003 0.000 0.276 147 I C -0.339 175.765 176.117 -0.022 0.000 1.063 147 I CA -0.586 60.728 61.300 0.023 0.000 1.144 147 I CB 1.668 39.714 38.000 0.076 0.000 1.252 147 I HN 0.495 nan 8.210 nan 0.000 0.480 148 V N 4.346 124.237 119.914 -0.038 0.000 2.612 148 V HA 0.905 5.024 4.120 -0.003 0.000 0.301 148 V C -0.085 175.990 176.094 -0.033 0.000 1.046 148 V CA -0.099 62.174 62.300 -0.044 0.000 0.946 148 V CB 1.717 33.507 31.823 -0.055 0.000 1.003 148 V HN 0.688 nan 8.190 nan 0.000 0.459 149 A N 3.947 126.761 122.820 -0.011 0.000 2.311 149 A HA 0.711 5.030 4.320 -0.003 0.000 0.306 149 A C 0.013 177.575 177.584 -0.036 0.000 1.189 149 A CA -0.452 51.556 52.037 -0.049 0.000 0.791 149 A CB 1.186 20.171 19.000 -0.025 0.000 1.172 149 A HN 0.938 nan 8.150 nan 0.000 0.481 150 T N 1.790 116.261 114.554 -0.137 0.000 2.882 150 T HA 0.467 4.816 4.350 -0.003 0.000 0.287 150 T C -0.909 173.639 174.700 -0.254 0.000 0.992 150 T CA 0.555 62.585 62.100 -0.116 0.000 1.076 150 T CB 0.045 68.818 68.868 -0.159 0.000 0.961 150 T HN 0.415 nan 8.240 nan 0.000 0.490 151 Y N 2.530 122.778 120.300 -0.085 0.000 2.638 151 Y HA 0.305 4.854 4.550 -0.003 0.000 0.367 151 Y C 0.883 176.735 175.900 -0.080 0.000 1.001 151 Y CA -0.895 57.182 58.100 -0.039 0.000 1.133 151 Y CB 0.426 38.918 38.460 0.054 0.000 1.199 151 Y HN 0.518 nan 8.280 nan 0.000 0.642 152 Q N 1.323 121.065 119.800 -0.097 0.000 2.354 152 Q HA 0.617 4.955 4.340 -0.003 0.000 0.244 152 Q C -0.030 175.999 176.000 0.047 0.000 0.969 152 Q CA -0.380 55.304 55.803 -0.198 0.000 0.885 152 Q CB 1.240 29.727 28.738 -0.418 0.000 1.241 152 Q HN 0.666 nan 8.270 nan 0.000 0.461 153 A N 0.676 123.666 122.820 0.284 0.000 2.248 153 A HA 0.633 4.951 4.320 -0.003 0.000 0.316 153 A C 0.569 178.258 177.584 0.175 0.000 1.101 153 A CA 0.132 52.292 52.037 0.205 0.000 0.875 153 A CB 0.655 19.781 19.000 0.209 0.000 1.207 153 A HN 0.870 nan 8.150 nan 0.000 0.504 154 A N 0.114 123.010 122.820 0.127 0.000 1.930 154 A HA -0.036 4.283 4.320 -0.003 0.000 0.217 154 A C 2.284 179.995 177.584 0.212 0.000 1.175 154 A CA 2.312 54.483 52.037 0.224 0.000 0.627 154 A CB -1.249 17.878 19.000 0.211 0.000 0.815 154 A HN 1.625 nan 8.150 nan 0.000 0.443 155 S N -0.204 115.572 115.700 0.127 0.000 2.419 155 S HA -0.064 4.404 4.470 -0.003 0.000 0.235 155 S C 1.905 176.551 174.600 0.077 0.000 1.019 155 S CA 1.250 59.496 58.200 0.076 0.000 0.982 155 S CB -1.146 62.069 63.200 0.024 0.000 0.789 155 S HN 0.721 nan 8.310 nan 0.000 0.490 156 G N 1.104 109.983 108.800 0.132 0.000 2.470 156 G HA2 0.171 4.129 3.960 -0.003 0.000 0.220 156 G HA3 0.171 4.129 3.960 -0.003 0.000 0.220 156 G C 1.141 176.111 174.900 0.117 0.000 1.121 156 G CA 0.476 45.667 45.100 0.152 0.000 0.766 156 G HN 0.827 nan 8.290 nan 0.000 0.553 157 A N -0.235 122.665 122.820 0.133 0.000 2.415 157 A HA 0.602 4.920 4.320 -0.003 0.000 0.248 157 A C 1.284 178.866 177.584 -0.003 0.000 1.299 157 A CA 0.941 53.018 52.037 0.067 0.000 0.899 157 A CB -0.637 18.430 19.000 0.111 0.000 0.997 157 A HN 1.682 nan 8.150 nan 0.000 0.506 158 G N -2.032 106.781 108.800 0.021 0.000 2.757 158 G HA2 0.202 4.160 3.960 -0.003 0.000 0.638 158 G HA3 0.202 4.160 3.960 -0.003 0.000 0.638 158 G C 0.872 175.775 174.900 0.005 0.000 1.344 158 G CA -0.284 44.816 45.100 -0.000 0.000 0.855 158 G HN 1.322 nan 8.290 nan 0.000 0.537 159 A N -0.229 122.591 122.820 -0.000 0.000 1.898 159 A HA 0.090 4.409 4.320 -0.003 0.000 0.216 159 A C 2.272 179.856 177.584 0.000 0.000 1.181 159 A CA 2.688 54.729 52.037 0.008 0.000 0.620 159 A CB -0.446 18.558 19.000 0.006 0.000 0.819 159 A HN 1.397 nan 8.150 nan 0.000 0.442 160 K N 0.327 120.712 120.400 -0.025 0.000 2.152 160 K HA -0.052 4.267 4.320 -0.003 0.000 0.206 160 K C 1.753 178.315 176.600 -0.063 0.000 1.048 160 K CA 1.630 57.893 56.287 -0.041 0.000 0.933 160 K CB -0.464 31.997 32.500 -0.065 0.000 0.721 160 K HN 0.375 nan 8.250 nan 0.000 0.447 161 A N -0.383 122.381 122.820 -0.094 0.000 2.021 161 A HA 0.035 4.353 4.320 -0.003 0.000 0.216 161 A C 2.095 179.764 177.584 0.142 0.000 1.163 161 A CA 0.956 52.910 52.037 -0.138 0.000 0.676 161 A CB -0.309 18.494 19.000 -0.328 0.000 0.818 161 A HN 0.349 nan 8.150 nan 0.000 0.453 162 M N -1.006 118.658 119.600 0.106 0.000 2.200 162 M HA -0.113 4.365 4.480 -0.003 0.000 0.265 162 M C 2.075 178.435 176.300 0.101 0.000 1.066 162 M CA 1.406 56.776 55.300 0.118 0.000 1.127 162 M CB -0.086 32.558 32.600 0.073 0.000 1.379 162 M HN 0.535 nan 8.290 nan 0.000 0.420 163 E N -0.159 120.085 120.200 0.074 0.000 2.072 163 E HA -0.208 4.141 4.350 -0.003 0.000 0.190 163 E C 1.879 178.532 176.600 0.089 0.000 0.982 163 E CA 0.864 57.304 56.400 0.067 0.000 0.803 163 E CB 0.049 29.774 29.700 0.043 0.000 0.755 163 E HN 0.417 nan 8.360 nan 0.000 0.453 164 E N 0.516 120.774 120.200 0.095 0.000 2.070 164 E HA -0.230 4.118 4.350 -0.003 0.000 0.197 164 E C 2.166 178.873 176.600 0.178 0.000 1.004 164 E CA 0.849 57.325 56.400 0.128 0.000 0.805 164 E CB -0.062 29.710 29.700 0.120 0.000 0.744 164 E HN 0.132 nan 8.360 nan 0.000 0.451 165 L N 1.061 122.407 121.223 0.206 0.000 2.131 165 L HA -0.165 4.173 4.340 -0.003 0.000 0.210 165 L C 2.134 179.050 176.870 0.077 0.000 1.092 165 L CA 1.343 56.257 54.840 0.123 0.000 0.759 165 L CB -0.496 41.609 42.059 0.076 0.000 0.903 165 L HN 0.144 nan 8.230 nan 0.000 0.435 166 L N -1.617 119.662 121.223 0.093 0.000 1.988 166 L HA -0.190 4.148 4.340 -0.003 0.000 0.207 166 L C 2.535 179.502 176.870 0.161 0.000 1.071 166 L CA 1.883 56.782 54.840 0.098 0.000 0.744 166 L CB -1.264 40.853 42.059 0.098 0.000 0.893 166 L HN 0.309 nan 8.230 nan 0.000 0.433 167 T N -0.931 113.719 114.554 0.160 0.000 2.720 167 T HA -0.187 4.162 4.350 -0.003 0.000 0.268 167 T C 1.840 176.664 174.700 0.206 0.000 1.037 167 T CA 1.507 63.713 62.100 0.177 0.000 1.144 167 T CB -0.071 68.862 68.868 0.109 0.000 0.864 167 T HN 0.217 nan 8.240 nan 0.000 0.444 168 E N 0.771 121.076 120.200 0.176 0.000 2.051 168 E HA -0.063 4.285 4.350 -0.003 0.000 0.192 168 E C 2.499 179.241 176.600 0.236 0.000 0.991 168 E CA 1.699 58.214 56.400 0.192 0.000 0.799 168 E CB -1.139 28.661 29.700 0.166 0.000 0.748 168 E HN 0.561 nan 8.360 nan 0.000 0.449 169 T N 0.127 114.781 114.554 0.166 0.000 2.897 169 T HA -0.159 4.189 4.350 -0.003 0.000 0.271 169 T C 1.735 176.607 174.700 0.286 0.000 1.084 169 T CA 1.503 63.700 62.100 0.163 0.000 1.123 169 T CB -0.294 68.551 68.868 -0.039 0.000 0.865 169 T HN 0.373 nan 8.240 nan 0.000 0.496 170 H N 0.697 119.869 119.070 0.170 0.000 2.333 170 H HA 0.102 4.656 4.556 -0.003 0.000 0.302 170 H C 2.609 178.065 175.328 0.213 0.000 1.075 170 H CA 0.912 57.058 56.048 0.164 0.000 1.348 170 H CB 0.220 30.079 29.762 0.162 0.000 1.393 170 H HN 0.149 nan 8.280 nan 0.000 0.509 171 R N -0.480 120.262 120.500 0.404 0.000 2.115 171 R HA -0.125 4.213 4.340 -0.003 0.000 0.230 171 R C 2.061 178.521 176.300 0.268 0.000 1.111 171 R CA 1.182 57.472 56.100 0.316 0.000 0.976 171 R CB -0.319 30.107 30.300 0.210 0.000 0.870 171 R HN 0.284 nan 8.270 nan 0.000 0.445 172 F N 1.610 121.662 119.950 0.171 0.000 2.025 172 F HA -0.268 4.257 4.527 -0.003 0.000 0.297 172 F C 1.841 177.691 175.800 0.084 0.000 1.132 172 F CA 1.531 59.617 58.000 0.143 0.000 1.191 172 F CB -0.286 38.844 39.000 0.217 0.000 0.963 172 F HN -0.096 nan 8.300 nan 0.000 0.481 173 L N -0.167 121.138 121.223 0.135 0.000 2.351 173 L HA -0.249 4.089 4.340 -0.003 0.000 0.220 173 L C 1.801 178.524 176.870 -0.244 0.000 1.127 173 L CA 1.696 56.475 54.840 -0.102 0.000 0.786 173 L CB -1.726 40.253 42.059 -0.133 0.000 0.914 173 L HN 0.406 nan 8.230 nan 0.000 0.443 174 H N -1.536 117.554 119.070 0.032 0.000 2.586 174 H HA 0.278 4.832 4.556 -0.003 0.000 0.273 174 H C 1.726 177.027 175.328 -0.045 0.000 0.997 174 H CA 0.822 56.880 56.048 0.016 0.000 1.177 174 H CB 0.880 30.685 29.762 0.072 0.000 1.471 174 H HN 0.369 nan 8.280 nan 0.000 0.538 175 G N 1.410 110.186 108.800 -0.041 0.000 2.475 175 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.209 175 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.209 175 G C 0.379 175.243 174.900 -0.059 0.000 1.127 175 G CA -0.029 45.018 45.100 -0.087 0.000 0.681 175 G HN 0.483 nan 8.290 nan 0.000 0.517 176 E N 1.762 121.974 120.200 0.019 0.000 2.465 176 E HA 0.461 4.809 4.350 -0.003 0.000 0.260 176 E C 0.551 177.191 176.600 0.066 0.000 0.980 176 E CA -0.089 56.336 56.400 0.041 0.000 0.927 176 E CB 0.874 30.611 29.700 0.061 0.000 0.934 176 E HN 1.241 nan 8.360 nan 0.000 0.459 177 A N 5.760 128.621 122.820 0.067 0.000 2.548 177 A HA 0.138 4.456 4.320 -0.003 0.000 0.247 177 A C -1.681 175.992 177.584 0.147 0.000 1.067 177 A CA -1.161 50.943 52.037 0.111 0.000 0.757 177 A CB -0.415 18.638 19.000 0.088 0.000 0.996 177 A HN 0.595 nan 8.150 nan 0.000 0.504 178 P HA 0.007 nan 4.420 nan 0.000 0.262 178 P C -0.691 176.698 177.300 0.148 0.000 1.182 178 P CA 0.382 63.604 63.100 0.203 0.000 0.761 178 P CB 0.352 32.197 31.700 0.241 0.000 0.795 179 K N 2.289 122.765 120.400 0.127 0.000 2.180 179 K HA 0.374 4.693 4.320 -0.003 0.000 0.250 179 K C 0.417 177.077 176.600 0.100 0.000 1.135 179 K CA -0.447 55.898 56.287 0.097 0.000 1.037 179 K CB 0.238 32.783 32.500 0.075 0.000 1.624 179 K HN 0.480 nan 8.250 nan 0.000 0.382 180 A N 2.737 125.625 122.820 0.112 0.000 2.548 180 A HA -0.010 4.308 4.320 -0.003 0.000 0.247 180 A C 0.573 178.195 177.584 0.063 0.000 1.067 180 A CA 0.392 52.504 52.037 0.125 0.000 0.757 180 A CB 0.179 19.258 19.000 0.132 0.000 0.996 180 A HN 0.751 nan 8.150 nan 0.000 0.504 181 E N 1.795 122.015 120.200 0.034 0.000 2.783 181 E HA 0.076 4.424 4.350 -0.003 0.000 0.205 181 E C 1.442 177.964 176.600 -0.128 0.000 0.955 181 E CA 0.796 57.173 56.400 -0.037 0.000 1.594 181 E CB -0.155 29.524 29.700 -0.034 0.000 1.686 181 E HN 0.728 nan 8.360 nan 0.000 0.902 182 A N 0.538 123.200 122.820 -0.265 0.000 2.195 182 A HA 0.339 4.657 4.320 -0.003 0.000 0.210 182 A C 0.475 177.590 177.584 -0.782 0.000 1.165 182 A CA 0.366 52.061 52.037 -0.570 0.000 0.806 182 A CB -0.021 18.498 19.000 -0.802 0.000 0.847 182 A HN 0.034 nan 8.150 nan 0.000 0.482 183 F N -2.948 116.981 119.950 -0.035 0.000 2.712 183 F HA 0.619 5.144 4.527 -0.003 0.000 0.367 183 F C 1.448 177.193 175.800 -0.093 0.000 1.132 183 F CA -0.441 57.528 58.000 -0.052 0.000 1.066 183 F CB 0.848 39.837 39.000 -0.019 0.000 1.416 183 F HN -0.086 nan 8.300 nan 0.000 0.515 184 A N -1.201 121.667 122.820 0.080 0.000 2.066 184 A HA 0.084 4.403 4.320 -0.003 0.000 0.218 184 A C 0.453 177.816 177.584 -0.369 0.000 1.157 184 A CA 1.324 53.270 52.037 -0.151 0.000 0.670 184 A CB -0.660 18.241 19.000 -0.164 0.000 0.804 184 A HN 0.692 nan 8.150 nan 0.000 0.453 185 H N -2.582 116.551 119.070 0.104 0.000 3.015 185 H HA 0.331 4.885 4.556 -0.003 0.000 0.282 185 H C -3.008 172.389 175.328 0.115 0.000 1.508 185 H CA -1.946 54.155 56.048 0.089 0.000 1.209 185 H CB 0.504 30.301 29.762 0.058 0.000 1.869 185 H HN -0.097 nan 8.280 nan 0.000 0.591 186 P HA 0.073 nan 4.420 nan 0.000 0.287 186 P C 0.495 177.826 177.300 0.052 0.000 1.294 186 P CA -0.220 62.974 63.100 0.156 0.000 0.776 186 P CB 0.819 32.607 31.700 0.147 0.000 0.889 187 L N 5.573 126.767 121.223 -0.049 0.000 2.509 187 L HA 0.285 4.623 4.340 -0.003 0.000 0.222 187 L C -1.883 174.845 176.870 -0.237 0.000 1.123 187 L CA -0.194 54.498 54.840 -0.246 0.000 0.856 187 L CB -1.170 40.490 42.059 -0.664 0.000 0.985 187 L HN 0.251 nan 8.230 nan 0.000 0.456 188 P HA 0.060 nan 4.420 nan 0.000 0.267 188 P C -0.585 176.505 177.300 -0.350 0.000 1.209 188 P CA 0.200 63.115 63.100 -0.308 0.000 0.763 188 P CB -0.066 31.528 31.700 -0.176 0.000 0.816 189 F N 0.468 120.194 119.950 -0.374 0.000 2.983 189 F HA -0.240 4.286 4.527 -0.003 0.000 0.288 189 F C 0.624 176.280 175.800 -0.240 0.000 0.980 189 F CA 0.977 58.768 58.000 -0.348 0.000 0.965 189 F CB -1.859 36.790 39.000 -0.584 0.000 0.967 189 F HN 0.398 nan 8.300 nan 0.000 0.800 190 N N -0.991 117.651 118.700 -0.097 0.000 3.185 190 N HA 0.716 5.455 4.740 -0.003 0.000 0.238 190 N C -1.583 173.866 175.510 -0.101 0.000 1.451 190 N CA -0.182 52.825 53.050 -0.073 0.000 0.888 190 N CB 1.671 40.116 38.487 -0.070 0.000 1.413 190 N HN 0.182 nan 8.380 nan 0.000 0.511 191 V N -0.887 118.976 119.914 -0.086 0.000 2.789 191 V HA 0.732 4.851 4.120 -0.003 0.000 0.311 191 V C -0.695 175.347 176.094 -0.086 0.000 1.073 191 V CA -0.731 61.511 62.300 -0.097 0.000 0.921 191 V CB 1.584 33.355 31.823 -0.087 0.000 1.009 191 V HN 0.615 nan 8.190 nan 0.000 0.426 192 I N 5.032 125.556 120.570 -0.076 0.000 2.359 192 I HA 0.425 4.594 4.170 -0.003 0.000 0.284 192 I C -2.096 174.029 176.117 0.013 0.000 1.018 192 I CA -1.762 59.529 61.300 -0.015 0.000 1.173 192 I CB 2.446 40.464 38.000 0.030 0.000 1.326 192 I HN 0.507 nan 8.210 nan 0.000 0.462 193 P HA -0.040 nan 4.420 nan 0.000 0.249 193 P C -0.462 176.915 177.300 0.127 0.000 1.686 193 P CA 0.656 63.767 63.100 0.018 0.000 0.873 193 P CB -0.546 31.147 31.700 -0.011 0.000 1.828 194 H N 0.629 119.699 119.070 0.001 0.000 3.277 194 H HA 0.220 4.774 4.556 -0.003 0.000 0.329 194 H C 0.007 175.309 175.328 -0.044 0.000 1.034 194 H CA -0.733 55.316 56.048 0.002 0.000 1.530 194 H CB 1.153 31.019 29.762 0.173 0.000 1.837 194 H HN -0.203 nan 8.280 nan 0.000 0.493 195 I N 2.682 123.318 120.570 0.110 0.000 2.900 195 I HA 0.038 4.207 4.170 -0.003 0.000 0.251 195 I C 0.880 176.999 176.117 0.004 0.000 1.102 195 I CA 0.755 62.061 61.300 0.010 0.000 1.457 195 I CB -0.165 37.808 38.000 -0.044 0.000 1.285 195 I HN 0.625 nan 8.210 nan 0.000 0.459 196 D N -0.175 120.213 120.400 -0.019 0.000 2.482 196 D HA 0.548 5.187 4.640 -0.003 0.000 0.223 196 D C -0.301 175.982 176.300 -0.029 0.000 1.262 196 D CA -0.239 53.741 54.000 -0.034 0.000 1.125 196 D CB 0.788 41.550 40.800 -0.063 0.000 1.196 196 D HN 0.095 nan 8.370 nan 0.000 0.594 197 A N 0.074 122.854 122.820 -0.067 0.000 2.301 197 A HA 0.464 4.783 4.320 -0.003 0.000 0.298 197 A C -0.860 176.634 177.584 -0.151 0.000 1.185 197 A CA -0.274 51.747 52.037 -0.028 0.000 0.830 197 A CB -0.241 18.777 19.000 0.030 0.000 1.112 197 A HN 0.341 nan 8.150 nan 0.000 0.508 198 F N 1.486 121.434 119.950 -0.003 0.000 2.467 198 F HA 0.315 4.841 4.527 -0.003 0.000 0.362 198 F C 1.039 176.834 175.800 -0.008 0.000 1.090 198 F CA 0.782 58.752 58.000 -0.050 0.000 1.202 198 F CB 0.991 39.927 39.000 -0.107 0.000 1.113 198 F HN 0.729 nan 8.300 nan 0.000 0.541 199 Q N 1.101 120.994 119.800 0.155 0.000 2.239 199 Q HA 0.192 4.530 4.340 -0.003 0.000 0.193 199 Q C 1.139 177.218 176.000 0.132 0.000 1.004 199 Q CA -0.392 55.489 55.803 0.130 0.000 1.040 199 Q CB 0.859 29.672 28.738 0.123 0.000 1.149 199 Q HN 0.591 nan 8.270 nan 0.000 0.535 200 E N -0.113 120.151 120.200 0.106 0.000 2.152 200 E HA -0.145 4.204 4.350 -0.003 0.000 0.192 200 E C 0.896 177.548 176.600 0.086 0.000 0.983 200 E CA 1.418 57.867 56.400 0.081 0.000 0.818 200 E CB -0.002 29.736 29.700 0.065 0.000 0.758 200 E HN 0.586 nan 8.360 nan 0.000 0.467 201 N N -1.058 117.716 118.700 0.122 0.000 2.461 201 N HA 0.071 4.809 4.740 -0.003 0.000 0.188 201 N C 1.209 176.804 175.510 0.140 0.000 1.134 201 N CA 1.063 54.199 53.050 0.143 0.000 0.878 201 N CB 0.515 39.113 38.487 0.185 0.000 0.972 201 N HN 0.214 nan 8.380 nan 0.000 0.456 202 G N -1.456 107.409 108.800 0.108 0.000 2.376 202 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.208 202 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.208 202 G C -0.157 174.726 174.900 -0.030 0.000 1.032 202 G CA -0.140 44.964 45.100 0.006 0.000 0.641 202 G HN 0.321 nan 8.290 nan 0.000 0.503 203 Y N 2.235 122.544 120.300 0.014 0.000 2.258 203 Y HA 0.466 5.015 4.550 -0.002 0.000 0.345 203 Y C 1.581 177.369 175.900 -0.187 0.000 1.303 203 Y CA 0.814 58.859 58.100 -0.091 0.000 1.537 203 Y CB 0.527 38.891 38.460 -0.159 0.000 1.383 203 Y HN 0.320 nan 8.280 nan 0.000 0.606 204 T N -2.267 112.179 114.554 -0.181 0.000 2.952 204 T HA 0.318 4.666 4.350 -0.003 0.000 0.286 204 T C 0.908 175.471 174.700 -0.229 0.000 1.024 204 T CA -0.956 60.923 62.100 -0.368 0.000 1.029 204 T CB 1.627 70.189 68.868 -0.511 0.000 1.094 204 T HN 0.702 nan 8.240 nan 0.000 0.515 205 R N 0.532 120.917 120.500 -0.191 0.000 2.117 205 R HA -0.163 4.176 4.340 -0.003 0.000 0.243 205 R C 2.093 178.266 176.300 -0.211 0.000 1.143 205 R CA 2.110 58.109 56.100 -0.168 0.000 0.968 205 R CB -0.559 29.708 30.300 -0.055 0.000 0.863 205 R HN 0.843 nan 8.270 nan 0.000 0.444 206 E N 0.572 120.673 120.200 -0.165 0.000 2.017 206 E HA -0.202 4.147 4.350 -0.003 0.000 0.193 206 E C 1.645 178.124 176.600 -0.202 0.000 0.997 206 E CA 2.124 58.438 56.400 -0.144 0.000 0.804 206 E CB -0.089 29.545 29.700 -0.109 0.000 0.757 206 E HN 0.497 nan 8.360 nan 0.000 0.448 207 E N -0.505 119.579 120.200 -0.194 0.000 2.065 207 E HA -0.246 4.102 4.350 -0.003 0.000 0.201 207 E C 1.999 178.376 176.600 -0.371 0.000 1.016 207 E CA 1.564 57.852 56.400 -0.186 0.000 0.818 207 E CB -0.211 29.489 29.700 -0.000 0.000 0.749 207 E HN 0.281 nan 8.360 nan 0.000 0.453 208 M N 0.724 120.008 119.600 -0.527 0.000 2.346 208 M HA -0.160 4.318 4.480 -0.003 0.000 0.263 208 M C 1.742 177.315 176.300 -1.211 0.000 1.064 208 M CA 1.513 56.199 55.300 -1.023 0.000 1.083 208 M CB -0.569 31.242 32.600 -1.315 0.000 1.399 208 M HN 0.014 nan 8.290 nan 0.000 0.435 209 K N -0.742 119.253 120.400 -0.676 0.000 2.103 209 K HA -0.021 4.298 4.320 -0.003 0.000 0.204 209 K C 1.875 178.301 176.600 -0.291 0.000 1.052 209 K CA 0.835 56.906 56.287 -0.359 0.000 0.945 209 K CB -0.203 32.223 32.500 -0.124 0.000 0.722 209 K HN 0.100 nan 8.250 nan 0.000 0.443 210 V N 1.262 120.995 119.914 -0.302 0.000 2.660 210 V HA -0.239 3.879 4.120 -0.003 0.000 0.257 210 V C 1.982 177.878 176.094 -0.330 0.000 1.088 210 V CA 1.493 63.642 62.300 -0.252 0.000 1.106 210 V CB -0.567 31.122 31.823 -0.223 0.000 0.686 210 V HN 0.103 nan 8.190 nan 0.000 0.481 211 V N -2.305 117.327 119.914 -0.469 0.000 2.502 211 V HA -0.020 4.099 4.120 -0.003 0.000 0.234 211 V C 2.134 177.962 176.094 -0.444 0.000 1.072 211 V CA 0.944 62.889 62.300 -0.590 0.000 1.094 211 V CB -0.833 30.571 31.823 -0.698 0.000 0.761 211 V HN 0.497 nan 8.190 nan 0.000 0.489 212 W N 1.204 122.311 121.300 -0.323 0.000 2.325 212 W HA -0.120 4.539 4.660 -0.003 0.000 0.299 212 W C 2.383 178.876 176.519 -0.043 0.000 1.215 212 W CA 1.319 58.565 57.345 -0.164 0.000 1.244 212 W CB -1.083 28.258 29.460 -0.198 0.000 1.140 212 W HN 0.420 nan 8.180 nan 0.000 0.523 213 E N -0.719 119.571 120.200 0.150 0.000 2.072 213 E HA -0.117 4.232 4.350 -0.003 0.000 0.190 213 E C 2.112 178.686 176.600 -0.042 0.000 0.982 213 E CA 1.798 58.259 56.400 0.102 0.000 0.803 213 E CB -0.275 29.467 29.700 0.069 0.000 0.755 213 E HN 0.078 nan 8.360 nan 0.000 0.453 214 T N -0.029 114.407 114.554 -0.196 0.000 2.701 214 T HA -0.153 4.196 4.350 -0.003 0.000 0.263 214 T C 1.520 176.101 174.700 -0.198 0.000 1.040 214 T CA 1.147 62.973 62.100 -0.457 0.000 1.147 214 T CB -0.468 68.084 68.868 -0.527 0.000 0.865 214 T HN 0.351 nan 8.240 nan 0.000 0.426 215 H N 0.269 119.267 119.070 -0.119 0.000 2.492 215 H HA -0.060 4.494 4.556 -0.003 0.000 0.296 215 H C 2.430 177.786 175.328 0.047 0.000 1.095 215 H CA 1.061 57.104 56.048 -0.008 0.000 1.281 215 H CB 0.191 29.981 29.762 0.046 0.000 1.374 215 H HN 0.252 nan 8.280 nan 0.000 0.545 216 K N 0.792 121.293 120.400 0.169 0.000 2.240 216 K HA 0.027 4.346 4.320 -0.003 0.000 0.202 216 K C 1.936 178.617 176.600 0.134 0.000 1.053 216 K CA 0.191 56.560 56.287 0.137 0.000 0.973 216 K CB 0.363 32.938 32.500 0.125 0.000 0.924 216 K HN 0.104 nan 8.250 nan 0.000 0.477 217 I N 1.102 121.741 120.570 0.115 0.000 2.423 217 I HA -0.221 3.947 4.170 -0.003 0.000 0.254 217 I C 1.254 177.627 176.117 0.426 0.000 1.151 217 I CA 1.044 62.451 61.300 0.177 0.000 1.421 217 I CB -0.027 38.050 38.000 0.129 0.000 1.079 217 I HN 0.140 nan 8.210 nan 0.000 0.431 218 F N 0.293 120.264 119.950 0.035 0.000 2.717 218 F HA 0.347 4.873 4.527 -0.002 0.000 0.297 218 F C 1.762 177.633 175.800 0.118 0.000 1.113 218 F CA -0.012 58.040 58.000 0.086 0.000 1.319 218 F CB -0.833 38.213 39.000 0.077 0.000 1.097 218 F HN 0.071 nan 8.300 nan 0.000 0.595 219 G N 1.926 110.890 108.800 0.274 0.000 2.333 219 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.296 219 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.296 219 G C -0.425 174.582 174.900 0.177 0.000 1.059 219 G CA 0.567 45.777 45.100 0.183 0.000 1.050 219 G HN 0.360 nan 8.290 nan 0.000 0.508 220 D N 0.003 120.493 120.400 0.149 0.000 2.319 220 D HA 0.235 4.873 4.640 -0.003 0.000 0.237 220 D C 0.481 176.710 176.300 -0.119 0.000 1.353 220 D CA -0.509 53.539 54.000 0.080 0.000 0.992 220 D CB 0.551 41.455 40.800 0.173 0.000 1.368 220 D HN 0.023 nan 8.370 nan 0.000 0.564 221 D N 1.468 121.736 120.400 -0.219 0.000 2.378 221 D HA -0.049 4.589 4.640 -0.003 0.000 0.227 221 D C 1.472 177.419 176.300 -0.589 0.000 1.012 221 D CA 0.457 54.122 54.000 -0.559 0.000 0.905 221 D CB 0.287 40.947 40.800 -0.234 0.000 0.895 221 D HN 0.280 nan 8.370 nan 0.000 0.532 222 T N 0.214 114.604 114.554 -0.273 0.000 3.113 222 T HA 0.135 4.483 4.350 -0.003 0.000 0.256 222 T C 0.957 175.623 174.700 -0.057 0.000 1.131 222 T CA -0.137 61.886 62.100 -0.127 0.000 1.074 222 T CB 0.062 68.912 68.868 -0.030 0.000 0.944 222 T HN 0.104 nan 8.240 nan 0.000 0.516 223 I N 3.117 123.670 120.570 -0.028 0.000 2.396 223 I HA 0.195 4.363 4.170 -0.003 0.000 0.289 223 I C 0.275 176.507 176.117 0.192 0.000 1.056 223 I CA -0.605 60.758 61.300 0.105 0.000 1.365 223 I CB 0.581 38.669 38.000 0.147 0.000 1.407 223 I HN -0.180 nan 8.210 nan 0.000 0.509 224 R N 7.860 128.397 120.500 0.062 0.000 2.288 224 R HA 0.459 4.797 4.340 -0.003 0.000 0.330 224 R C -0.588 175.701 176.300 -0.017 0.000 1.069 224 R CA -0.113 56.004 56.100 0.028 0.000 0.941 224 R CB 0.117 30.403 30.300 -0.022 0.000 0.998 224 R HN 0.563 nan 8.270 nan 0.000 0.452 225 I N 0.649 121.181 120.570 -0.064 0.000 2.466 225 I HA 0.235 4.404 4.170 -0.003 0.000 0.289 225 I C 0.175 176.177 176.117 -0.193 0.000 1.026 225 I CA -0.630 60.590 61.300 -0.134 0.000 1.078 225 I CB 2.143 40.017 38.000 -0.210 0.000 1.249 225 I HN 0.351 nan 8.210 nan 0.000 0.429 226 S N 4.529 120.151 115.700 -0.131 0.000 2.536 226 S HA 0.947 5.415 4.470 -0.003 0.000 0.298 226 S C -0.966 173.593 174.600 -0.068 0.000 1.083 226 S CA -0.327 57.805 58.200 -0.113 0.000 0.995 226 S CB 1.796 65.004 63.200 0.014 0.000 1.058 226 S HN 0.829 nan 8.310 nan 0.000 0.488 227 A N 2.560 125.376 122.820 -0.007 0.000 2.566 227 A HA 0.663 4.982 4.320 -0.003 0.000 0.297 227 A C -0.902 176.724 177.584 0.069 0.000 1.059 227 A CA -0.683 51.350 52.037 -0.007 0.000 0.691 227 A CB 1.544 20.486 19.000 -0.096 0.000 1.282 227 A HN 0.653 nan 8.150 nan 0.000 0.401 228 T N 2.134 116.683 114.554 -0.007 0.000 2.842 228 T HA 0.593 4.941 4.350 -0.003 0.000 0.308 228 T C 0.117 174.758 174.700 -0.098 0.000 1.041 228 T CA 0.273 62.346 62.100 -0.045 0.000 0.964 228 T CB 1.097 69.920 68.868 -0.075 0.000 0.972 228 T HN 1.349 nan 8.240 nan 0.000 0.460 229 A N 3.734 126.494 122.820 -0.101 0.000 2.347 229 A HA 0.626 4.945 4.320 -0.003 0.000 0.287 229 A C -0.034 177.472 177.584 -0.130 0.000 1.199 229 A CA -0.378 51.582 52.037 -0.129 0.000 0.851 229 A CB 0.059 18.985 19.000 -0.124 0.000 1.118 229 A HN 0.678 nan 8.150 nan 0.000 0.525 230 V N 3.386 123.198 119.914 -0.171 0.000 2.588 230 V HA 0.501 4.620 4.120 -0.003 0.000 0.304 230 V C 0.141 176.146 176.094 -0.149 0.000 1.042 230 V CA -0.855 61.347 62.300 -0.162 0.000 0.877 230 V CB 1.691 33.376 31.823 -0.230 0.000 0.996 230 V HN 1.015 nan 8.190 nan 0.000 0.425 231 R N 3.297 123.731 120.500 -0.109 0.000 2.410 231 R HA 0.749 5.087 4.340 -0.003 0.000 0.288 231 R C -0.729 175.494 176.300 -0.128 0.000 1.051 231 R CA -0.121 55.913 56.100 -0.110 0.000 1.021 231 R CB 1.393 31.630 30.300 -0.106 0.000 1.032 231 R HN 0.788 nan 8.270 nan 0.000 0.481 232 V N 0.926 120.771 119.914 -0.115 0.000 3.159 232 V HA 0.679 4.797 4.120 -0.003 0.000 0.308 232 V C -2.633 173.378 176.094 -0.139 0.000 1.190 232 V CA -2.617 59.620 62.300 -0.105 0.000 1.037 232 V CB 2.320 34.139 31.823 -0.007 0.000 1.060 232 V HN 0.718 nan 8.190 nan 0.000 0.437 233 P HA 0.374 nan 4.420 nan 0.000 0.249 233 P C -0.687 176.538 177.300 -0.125 0.000 1.737 233 P CA 0.608 63.585 63.100 -0.204 0.000 1.128 233 P CB -0.282 31.232 31.700 -0.310 0.000 1.942 234 T N 2.711 117.223 114.554 -0.070 0.000 2.956 234 T HA 0.221 4.570 4.350 -0.003 0.000 0.312 234 T C 0.920 175.626 174.700 0.011 0.000 1.151 234 T CA -0.573 61.518 62.100 -0.014 0.000 1.024 234 T CB 1.403 70.292 68.868 0.035 0.000 1.140 234 T HN -0.124 nan 8.240 nan 0.000 0.473 235 L N 2.132 123.365 121.223 0.017 0.000 1.899 235 L HA 0.032 4.371 4.340 -0.003 0.000 0.220 235 L C 2.277 179.174 176.870 0.045 0.000 1.091 235 L CA 1.941 56.800 54.840 0.033 0.000 0.781 235 L CB -0.852 41.223 42.059 0.027 0.000 0.886 235 L HN 0.743 nan 8.230 nan 0.000 0.430 236 R N -1.105 119.415 120.500 0.035 0.000 2.508 236 R HA 0.515 4.854 4.340 -0.003 0.000 0.300 236 R C 0.147 176.443 176.300 -0.007 0.000 0.970 236 R CA 0.073 56.181 56.100 0.014 0.000 1.102 236 R CB 0.271 30.576 30.300 0.008 0.000 1.246 236 R HN 0.200 nan 8.270 nan 0.000 0.539 237 A N 1.547 124.391 122.820 0.040 0.000 2.288 237 A HA 0.411 4.730 4.320 -0.003 0.000 0.320 237 A C -1.213 176.468 177.584 0.161 0.000 1.217 237 A CA -0.622 51.449 52.037 0.056 0.000 0.840 237 A CB 0.277 19.317 19.000 0.067 0.000 1.179 237 A HN 0.384 nan 8.150 nan 0.000 0.504 238 H N 1.195 120.286 119.070 0.035 0.000 2.620 238 H HA 0.496 5.050 4.556 -0.003 0.000 0.313 238 H C 0.396 175.722 175.328 -0.003 0.000 1.075 238 H CA -0.082 55.984 56.048 0.029 0.000 1.397 238 H CB 1.448 31.222 29.762 0.021 0.000 1.446 238 H HN 0.828 nan 8.280 nan 0.000 0.493 239 A N 3.573 126.463 122.820 0.116 0.000 2.340 239 A HA 0.451 4.769 4.320 -0.003 0.000 0.331 239 A C -0.730 176.822 177.584 -0.053 0.000 1.140 239 A CA -0.834 51.149 52.037 -0.089 0.000 0.801 239 A CB 0.866 19.857 19.000 -0.015 0.000 1.234 239 A HN 0.902 nan 8.150 nan 0.000 0.469 240 E N 1.345 121.327 120.200 -0.363 0.000 2.404 240 E HA 0.510 4.859 4.350 -0.003 0.000 0.298 240 E C -0.658 175.837 176.600 -0.176 0.000 0.908 240 E CA -0.737 55.603 56.400 -0.099 0.000 0.808 240 E CB 1.093 30.757 29.700 -0.061 0.000 1.380 240 E HN 0.805 nan 8.360 nan 0.000 0.392 241 A N 3.182 126.092 122.820 0.151 0.000 2.484 241 A HA 0.391 4.710 4.320 -0.003 0.000 0.268 241 A C 0.179 177.763 177.584 0.000 0.000 1.114 241 A CA -0.188 51.987 52.037 0.231 0.000 0.780 241 A CB 0.166 19.404 19.000 0.397 0.000 1.061 241 A HN 0.426 nan 8.150 nan 0.000 0.505 242 V N 2.583 122.382 119.914 -0.192 0.000 2.834 242 V HA 0.715 4.833 4.120 -0.003 0.000 0.313 242 V C 0.412 176.178 176.094 -0.546 0.000 1.060 242 V CA -0.333 61.706 62.300 -0.435 0.000 0.989 242 V CB 1.933 33.327 31.823 -0.716 0.000 1.041 242 V HN 0.925 nan 8.190 nan 0.000 0.459 243 S N 1.065 116.549 115.700 -0.361 0.000 2.541 243 S HA 0.857 5.325 4.470 -0.003 0.000 0.271 243 S C -1.114 173.509 174.600 0.038 0.000 1.133 243 S CA -0.613 57.494 58.200 -0.154 0.000 0.876 243 S CB 2.122 65.274 63.200 -0.080 0.000 1.105 243 S HN 0.557 nan 8.310 nan 0.000 0.470 244 V N 1.190 121.228 119.914 0.207 0.000 3.120 244 V HA 0.562 4.680 4.120 -0.003 0.000 0.303 244 V C -0.918 175.106 176.094 -0.117 0.000 1.238 244 V CA -0.849 61.440 62.300 -0.019 0.000 1.008 244 V CB 2.145 33.766 31.823 -0.337 0.000 1.064 244 V HN 0.917 nan 8.190 nan 0.000 0.434 245 E N 1.261 121.085 120.200 -0.628 0.000 2.187 245 E HA 0.679 5.027 4.350 -0.003 0.000 0.268 245 E C -1.835 174.432 176.600 -0.556 0.000 0.896 245 E CA -0.421 55.600 56.400 -0.633 0.000 0.766 245 E CB 1.411 30.454 29.700 -1.095 0.000 1.142 245 E HN 0.474 nan 8.360 nan 0.000 0.408 246 F N 1.463 121.409 119.950 -0.006 0.000 2.509 246 F HA 0.518 5.043 4.527 -0.003 0.000 0.334 246 F C 1.101 176.917 175.800 0.026 0.000 1.060 246 F CA -0.402 57.623 58.000 0.041 0.000 0.997 246 F CB 1.353 40.383 39.000 0.050 0.000 1.271 246 F HN 0.640 nan 8.300 nan 0.000 0.488 247 A N 0.875 123.874 122.820 0.298 0.000 1.871 247 A HA 0.177 4.495 4.320 -0.003 0.000 0.211 247 A C 0.897 178.573 177.584 0.152 0.000 1.207 247 A CA 0.487 52.625 52.037 0.168 0.000 0.620 247 A CB -0.236 18.851 19.000 0.145 0.000 0.860 247 A HN 0.694 nan 8.150 nan 0.000 0.450 248 R N 0.610 121.222 120.500 0.186 0.000 2.500 248 R HA 0.364 4.702 4.340 -0.003 0.000 0.275 248 R C -2.623 173.706 176.300 0.049 0.000 1.051 248 R CA -2.107 54.070 56.100 0.128 0.000 1.088 248 R CB 0.096 30.507 30.300 0.185 0.000 1.063 248 R HN 0.237 nan 8.270 nan 0.000 0.511 249 P HA -0.044 nan 4.420 nan 0.000 0.265 249 P C -0.260 176.884 177.300 -0.261 0.000 1.222 249 P CA 0.120 63.178 63.100 -0.069 0.000 0.767 249 P CB 0.515 32.198 31.700 -0.028 0.000 0.801 250 V N 3.066 122.749 119.914 -0.385 0.000 3.441 250 V HA 0.631 4.750 4.120 -0.003 0.000 0.300 250 V C 0.586 176.439 176.094 -0.402 0.000 1.062 250 V CA -0.221 61.624 62.300 -0.759 0.000 1.064 250 V CB 0.494 31.878 31.823 -0.733 0.000 1.197 250 V HN 0.648 nan 8.190 nan 0.000 0.451 251 T N -0.059 114.256 114.554 -0.399 0.000 3.705 251 T HA 0.308 4.657 4.350 -0.003 0.000 0.342 251 T C -2.336 172.286 174.700 -0.130 0.000 1.043 251 T CA -0.540 61.456 62.100 -0.174 0.000 1.071 251 T CB 1.859 70.663 68.868 -0.106 0.000 1.124 251 T HN 0.501 nan 8.240 nan 0.000 0.467 252 P HA -0.148 nan 4.420 nan 0.000 0.221 252 P C 1.205 178.501 177.300 -0.007 0.000 1.145 252 P CA 1.163 64.252 63.100 -0.018 0.000 0.795 252 P CB 0.311 32.022 31.700 0.017 0.000 0.775 253 E N -0.385 119.809 120.200 -0.010 0.000 2.442 253 E HA 0.073 4.421 4.350 -0.003 0.000 0.195 253 E C 1.625 178.234 176.600 0.016 0.000 1.030 253 E CA 0.642 57.045 56.400 0.004 0.000 0.869 253 E CB -0.580 29.122 29.700 0.003 0.000 0.857 253 E HN 0.196 nan 8.360 nan 0.000 0.505 254 A N 1.271 124.105 122.820 0.024 0.000 2.063 254 A HA 0.476 4.794 4.320 -0.003 0.000 0.211 254 A C 2.297 179.988 177.584 0.180 0.000 1.177 254 A CA 0.721 52.817 52.037 0.099 0.000 0.759 254 A CB -0.037 19.048 19.000 0.142 0.000 0.857 254 A HN 0.266 nan 8.150 nan 0.000 0.468 255 A N -0.111 122.792 122.820 0.138 0.000 2.016 255 A HA 0.027 4.345 4.320 -0.003 0.000 0.217 255 A C 2.123 179.729 177.584 0.037 0.000 1.162 255 A CA 1.220 53.352 52.037 0.160 0.000 0.662 255 A CB -0.314 18.712 19.000 0.043 0.000 0.812 255 A HN 0.474 nan 8.150 nan 0.000 0.450 256 R N -0.229 120.285 120.500 0.023 0.000 2.064 256 R HA -0.092 4.246 4.340 -0.003 0.000 0.228 256 R C 2.156 178.458 176.300 0.003 0.000 1.144 256 R CA 1.792 57.898 56.100 0.010 0.000 0.932 256 R CB -0.311 29.998 30.300 0.015 0.000 0.833 256 R HN 0.627 nan 8.270 nan 0.000 0.429 257 E N -0.364 119.839 120.200 0.004 0.000 2.070 257 E HA -0.221 4.127 4.350 -0.003 0.000 0.197 257 E C 1.979 178.565 176.600 -0.023 0.000 1.004 257 E CA 1.778 58.175 56.400 -0.006 0.000 0.805 257 E CB -0.105 29.592 29.700 -0.004 0.000 0.744 257 E HN 0.094 nan 8.360 nan 0.000 0.451 258 V N 1.231 121.124 119.914 -0.035 0.000 2.255 258 V HA -0.295 3.824 4.120 -0.003 0.000 0.247 258 V C 2.350 178.402 176.094 -0.069 0.000 1.051 258 V CA 1.754 64.004 62.300 -0.084 0.000 1.018 258 V CB -0.511 31.219 31.823 -0.155 0.000 0.641 258 V HN 0.282 nan 8.190 nan 0.000 0.445 259 L N -0.491 120.702 121.223 -0.051 0.000 2.079 259 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 259 L C 2.559 179.420 176.870 -0.015 0.000 1.081 259 L CA 1.374 56.191 54.840 -0.038 0.000 0.752 259 L CB -0.584 41.453 42.059 -0.037 0.000 0.896 259 L HN 0.234 nan 8.230 nan 0.000 0.433 260 K N -0.106 120.287 120.400 -0.011 0.000 2.520 260 K HA -0.144 4.175 4.320 -0.003 0.000 0.197 260 K C 1.547 178.146 176.600 -0.003 0.000 1.043 260 K CA 0.930 57.215 56.287 -0.003 0.000 0.944 260 K CB 0.067 32.565 32.500 -0.002 0.000 0.770 260 K HN 0.354 nan 8.250 nan 0.000 0.480 261 E N -0.671 119.522 120.200 -0.011 0.000 2.372 261 E HA 0.117 4.465 4.350 -0.003 0.000 0.201 261 E C 0.304 176.909 176.600 0.007 0.000 0.938 261 E CA 0.004 56.400 56.400 -0.006 0.000 0.944 261 E CB 0.119 29.806 29.700 -0.022 0.000 0.937 261 E HN 0.107 nan 8.360 nan 0.000 0.495 262 A N 4.107 126.932 122.820 0.008 0.000 2.520 262 A HA 0.203 4.521 4.320 -0.003 0.000 0.235 262 A C -1.989 175.631 177.584 0.060 0.000 1.065 262 A CA -0.635 51.425 52.037 0.039 0.000 0.764 262 A CB -0.456 18.570 19.000 0.043 0.000 1.002 262 A HN -0.081 nan 8.150 nan 0.000 0.502 263 P HA 0.280 nan 4.420 nan 0.000 0.276 263 P C 0.683 178.041 177.300 0.096 0.000 1.244 263 P CA 0.853 64.003 63.100 0.084 0.000 0.801 263 P CB 0.521 32.273 31.700 0.087 0.000 1.006 264 G N 0.024 108.885 108.800 0.100 0.000 2.422 264 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.301 264 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.301 264 G C 0.018 174.982 174.900 0.107 0.000 0.981 264 G CA 0.523 45.693 45.100 0.117 0.000 0.994 264 G HN 0.668 nan 8.290 nan 0.000 0.514 265 V N -0.299 119.667 119.914 0.087 0.000 2.666 265 V HA 0.415 4.533 4.120 -0.003 0.000 0.261 265 V C 0.365 176.495 176.094 0.060 0.000 0.892 265 V CA -0.238 62.111 62.300 0.080 0.000 0.937 265 V CB 0.784 32.657 31.823 0.083 0.000 1.063 265 V HN 0.537 nan 8.190 nan 0.000 0.494 266 E N 2.645 122.878 120.200 0.055 0.000 2.585 266 E HA 0.085 4.434 4.350 -0.003 0.000 0.252 266 E C -0.476 176.150 176.600 0.044 0.000 0.981 266 E CA 0.169 56.593 56.400 0.040 0.000 0.943 266 E CB 1.090 30.808 29.700 0.030 0.000 0.923 266 E HN 0.520 nan 8.360 nan 0.000 0.486 267 V N 5.536 125.471 119.914 0.035 0.000 2.498 267 V HA 0.147 4.265 4.120 -0.003 0.000 0.279 267 V C -0.164 175.954 176.094 0.039 0.000 1.048 267 V CA -0.281 62.042 62.300 0.040 0.000 0.967 267 V CB 1.538 33.377 31.823 0.027 0.000 0.988 267 V HN 0.504 nan 8.190 nan 0.000 0.473 268 V N 5.280 125.228 119.914 0.058 0.000 2.385 268 V HA 0.456 4.574 4.120 -0.003 0.000 0.277 268 V C -0.621 175.517 176.094 0.074 0.000 1.012 268 V CA -0.421 61.909 62.300 0.049 0.000 0.832 268 V CB 1.443 33.299 31.823 0.054 0.000 1.028 268 V HN 0.886 nan 8.190 nan 0.000 0.436 269 D N 3.775 124.207 120.400 0.055 0.000 2.328 269 D HA 0.365 5.004 4.640 -0.003 0.000 0.243 269 D C -0.829 175.503 176.300 0.053 0.000 1.324 269 D CA -0.125 53.922 54.000 0.078 0.000 0.966 269 D CB 1.704 42.554 40.800 0.083 0.000 1.324 269 D HN 0.518 nan 8.370 nan 0.000 0.549 270 E N 3.152 123.379 120.200 0.045 0.000 2.642 270 E HA 0.312 4.660 4.350 -0.003 0.000 0.284 270 E C -2.176 174.455 176.600 0.052 0.000 1.039 270 E CA -1.522 54.894 56.400 0.028 0.000 0.777 270 E CB 2.014 31.706 29.700 -0.013 0.000 1.473 270 E HN 0.090 nan 8.360 nan 0.000 0.388 271 P HA -0.191 nan 4.420 nan 0.000 0.211 271 P C 0.590 177.942 177.300 0.086 0.000 1.179 271 P CA 1.294 64.469 63.100 0.125 0.000 0.910 271 P CB 0.319 32.071 31.700 0.086 0.000 0.785 272 E N -0.289 119.940 120.200 0.048 0.000 2.136 272 E HA -0.207 4.141 4.350 -0.003 0.000 0.202 272 E C 1.520 178.132 176.600 0.021 0.000 1.019 272 E CA 1.483 57.901 56.400 0.030 0.000 0.819 272 E CB -0.648 29.063 29.700 0.018 0.000 0.739 272 E HN 0.190 nan 8.360 nan 0.000 0.458 273 A N 0.663 123.486 122.820 0.005 0.000 2.462 273 A HA 0.089 4.407 4.320 -0.003 0.000 0.261 273 A C -0.152 177.395 177.584 -0.060 0.000 1.323 273 A CA -0.262 51.760 52.037 -0.024 0.000 0.913 273 A CB -0.319 18.658 19.000 -0.038 0.000 1.028 273 A HN 0.121 nan 8.150 nan 0.000 0.511 274 K N -0.247 120.149 120.400 -0.006 0.000 3.311 274 K HA -0.202 4.117 4.320 -0.003 0.000 0.270 274 K C 0.013 176.298 176.600 -0.525 0.000 0.927 274 K CA 0.956 57.235 56.287 -0.013 0.000 0.706 274 K CB -1.171 31.345 32.500 0.026 0.000 1.418 274 K HN 0.665 nan 8.250 nan 0.000 0.459 275 R N 1.888 122.107 120.500 -0.469 0.000 2.358 275 R HA 0.289 4.627 4.340 -0.003 0.000 0.309 275 R C -1.115 174.931 176.300 -0.424 0.000 1.026 275 R CA -0.608 55.172 56.100 -0.534 0.000 0.909 275 R CB 0.567 30.741 30.300 -0.209 0.000 1.153 275 R HN 0.236 nan 8.270 nan 0.000 0.515 276 Y N 0.784 121.095 120.300 0.019 0.000 2.689 276 Y HA 0.642 5.191 4.550 -0.003 0.000 0.333 276 Y C -2.797 173.151 175.900 0.079 0.000 1.190 276 Y CA -3.598 54.529 58.100 0.044 0.000 1.063 276 Y CB 0.104 38.567 38.460 0.006 0.000 1.294 276 Y HN 0.384 nan 8.280 nan 0.000 0.466 277 P HA 0.336 nan 4.420 nan 0.000 0.268 277 P C -0.948 176.570 177.300 0.363 0.000 1.205 277 P CA 0.316 63.605 63.100 0.314 0.000 0.771 277 P CB 0.398 32.311 31.700 0.355 0.000 0.858 278 M N 3.873 123.616 119.600 0.237 0.000 2.365 278 M HA 0.204 4.682 4.480 -0.003 0.000 0.288 278 M C -1.989 174.393 176.300 0.136 0.000 1.152 278 M CA -1.724 53.702 55.300 0.210 0.000 0.948 278 M CB 3.137 35.837 32.600 0.168 0.000 1.729 278 M HN 0.156 nan 8.290 nan 0.000 0.487 279 P HA -0.156 nan 4.420 nan 0.000 0.223 279 P C 1.255 178.595 177.300 0.066 0.000 1.144 279 P CA 0.996 64.150 63.100 0.090 0.000 0.783 279 P CB 0.220 31.974 31.700 0.090 0.000 0.771 280 L N 0.117 121.379 121.223 0.066 0.000 2.079 280 L HA -0.090 4.249 4.340 -0.003 0.000 0.210 280 L C 2.164 179.054 176.870 0.033 0.000 1.081 280 L CA 2.427 57.294 54.840 0.044 0.000 0.752 280 L CB -1.640 40.444 42.059 0.043 0.000 0.896 280 L HN -0.020 nan 8.230 nan 0.000 0.433 281 T N -2.410 112.167 114.554 0.038 0.000 2.975 281 T HA 0.322 4.671 4.350 -0.003 0.000 0.257 281 T C 1.580 176.298 174.700 0.030 0.000 1.003 281 T CA 0.524 62.638 62.100 0.023 0.000 0.932 281 T CB 0.071 68.946 68.868 0.011 0.000 1.087 281 T HN 0.424 nan 8.240 nan 0.000 0.512 282 A N 1.586 124.436 122.820 0.049 0.000 1.854 282 A HA 0.196 4.515 4.320 -0.003 0.000 0.214 282 A C 1.467 179.079 177.584 0.047 0.000 1.192 282 A CA 1.006 53.075 52.037 0.053 0.000 0.611 282 A CB -0.897 18.144 19.000 0.068 0.000 0.832 282 A HN 0.660 nan 8.150 nan 0.000 0.442 283 S N -0.561 115.166 115.700 0.045 0.000 2.670 283 S HA 0.408 4.877 4.470 -0.003 0.000 0.308 283 S C 0.998 175.622 174.600 0.040 0.000 1.232 283 S CA 0.383 58.608 58.200 0.041 0.000 1.126 283 S CB 0.194 63.416 63.200 0.036 0.000 0.897 283 S HN 1.885 nan 8.310 nan 0.000 0.508 284 G N 3.216 112.050 108.800 0.057 0.000 2.697 284 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.200 284 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.200 284 G C 0.020 174.964 174.900 0.072 0.000 1.106 284 G CA -0.422 44.715 45.100 0.061 0.000 0.748 284 G HN 0.706 nan 8.290 nan 0.000 0.503 285 K N 0.201 120.621 120.400 0.034 0.000 2.258 285 K HA 0.234 4.553 4.320 -0.003 0.000 0.264 285 K C 0.813 177.502 176.600 0.149 0.000 1.007 285 K CA -0.372 55.904 56.287 -0.018 0.000 0.941 285 K CB 0.546 33.026 32.500 -0.033 0.000 0.966 285 K HN 0.296 nan 8.250 nan 0.000 0.480 286 W N 0.868 122.178 121.300 0.017 0.000 2.678 286 W HA 0.008 4.666 4.660 -0.003 0.000 0.256 286 W C 0.396 176.930 176.519 0.024 0.000 1.280 286 W CA -0.180 57.176 57.345 0.019 0.000 1.345 286 W CB -0.595 28.877 29.460 0.020 0.000 1.118 286 W HN 0.531 nan 8.180 nan 0.000 0.629 287 D N -0.393 120.122 120.400 0.191 0.000 2.433 287 D HA 0.213 4.851 4.640 -0.003 0.000 0.255 287 D C -0.005 176.360 176.300 0.108 0.000 1.226 287 D CA -0.186 53.893 54.000 0.132 0.000 1.015 287 D CB 1.939 42.785 40.800 0.077 0.000 1.091 287 D HN -0.291 nan 8.370 nan 0.000 0.527 288 V N -0.098 119.875 119.914 0.098 0.000 2.604 288 V HA 0.345 4.463 4.120 -0.003 0.000 0.305 288 V C -0.759 175.385 176.094 0.084 0.000 1.043 288 V CA -0.519 61.836 62.300 0.091 0.000 0.888 288 V CB 1.666 33.549 31.823 0.101 0.000 0.995 288 V HN 0.399 nan 8.190 nan 0.000 0.429 289 E N 3.770 124.019 120.200 0.083 0.000 2.248 289 E HA 0.699 5.048 4.350 -0.003 0.000 0.272 289 E C -1.372 175.296 176.600 0.113 0.000 1.008 289 E CA -0.594 55.860 56.400 0.090 0.000 0.856 289 E CB 2.224 31.979 29.700 0.093 0.000 1.120 289 E HN 0.599 nan 8.360 nan 0.000 0.397 290 V N 1.694 121.681 119.914 0.122 0.000 2.623 290 V HA 0.692 4.811 4.120 -0.003 0.000 0.304 290 V C 0.139 176.340 176.094 0.178 0.000 1.054 290 V CA -0.590 61.804 62.300 0.157 0.000 0.882 290 V CB 1.690 33.579 31.823 0.110 0.000 1.002 290 V HN 0.822 nan 8.190 nan 0.000 0.424 291 G N 2.370 111.327 108.800 0.262 0.000 2.870 291 G HA2 0.649 4.607 3.960 -0.003 0.000 0.299 291 G HA3 0.649 4.607 3.960 -0.003 0.000 0.299 291 G C -0.261 174.814 174.900 0.292 0.000 1.324 291 G CA -0.746 44.505 45.100 0.252 0.000 0.808 291 G HN 0.418 nan 8.290 nan 0.000 0.535 292 R N -1.555 119.082 120.500 0.228 0.000 3.863 292 R HA -0.194 4.145 4.340 -0.003 0.000 0.313 292 R C 0.756 177.177 176.300 0.202 0.000 1.202 292 R CA 0.919 57.125 56.100 0.178 0.000 0.852 292 R CB -2.654 27.728 30.300 0.137 0.000 1.292 292 R HN 1.081 nan 8.270 nan 0.000 0.519 293 I N 0.274 120.969 120.570 0.208 0.000 2.752 293 I HA 0.051 4.219 4.170 -0.003 0.000 0.286 293 I C 0.853 177.060 176.117 0.150 0.000 1.180 293 I CA 0.561 61.986 61.300 0.208 0.000 1.404 293 I CB 0.265 38.340 38.000 0.125 0.000 1.389 293 I HN 0.179 nan 8.210 nan 0.000 0.549 294 R N 3.677 124.274 120.500 0.163 0.000 2.668 294 R HA 0.480 4.818 4.340 -0.003 0.000 0.272 294 R C -1.029 175.333 176.300 0.102 0.000 1.019 294 R CA -1.179 54.983 56.100 0.103 0.000 0.894 294 R CB 0.978 31.322 30.300 0.074 0.000 1.228 294 R HN 0.601 nan 8.270 nan 0.000 0.460 295 K N 2.035 122.474 120.400 0.066 0.000 2.395 295 K HA 0.006 4.324 4.320 -0.003 0.000 0.283 295 K C -0.094 176.543 176.600 0.062 0.000 1.068 295 K CA 0.119 56.443 56.287 0.062 0.000 1.039 295 K CB 0.618 33.138 32.500 0.033 0.000 0.924 295 K HN 0.616 nan 8.250 nan 0.000 0.468 296 S N 4.753 120.507 115.700 0.090 0.000 2.549 296 S HA 0.017 4.486 4.470 -0.003 0.000 0.286 296 S C 1.122 175.726 174.600 0.006 0.000 1.314 296 S CA -0.699 57.524 58.200 0.038 0.000 1.062 296 S CB 0.348 63.584 63.200 0.060 0.000 0.865 296 S HN 0.650 nan 8.310 nan 0.000 0.498 297 L N 4.382 125.578 121.223 -0.045 0.000 2.416 297 L HA 0.172 4.510 4.340 -0.003 0.000 0.216 297 L C 2.558 179.382 176.870 -0.076 0.000 1.098 297 L CA 1.375 56.191 54.840 -0.039 0.000 0.840 297 L CB -2.035 40.001 42.059 -0.037 0.000 0.981 297 L HN 0.879 nan 8.230 nan 0.000 0.462 298 A N 0.346 123.049 122.820 -0.195 0.000 1.845 298 A HA -0.135 4.184 4.320 -0.003 0.000 0.215 298 A C 1.131 178.607 177.584 -0.180 0.000 1.195 298 A CA 0.944 52.794 52.037 -0.313 0.000 0.616 298 A CB -0.716 17.882 19.000 -0.671 0.000 0.832 298 A HN 0.216 nan 8.150 nan 0.000 0.443 299 F N -1.345 118.614 119.950 0.015 0.000 2.370 299 F HA 0.264 4.790 4.527 -0.003 0.000 0.324 299 F C 1.548 177.365 175.800 0.029 0.000 1.116 299 F CA -0.766 57.245 58.000 0.018 0.000 1.123 299 F CB 0.660 39.669 39.000 0.016 0.000 1.238 299 F HN 0.128 nan 8.300 nan 0.000 0.536 300 E N 0.988 121.335 120.200 0.246 0.000 2.427 300 E HA -0.118 4.231 4.350 -0.003 0.000 0.196 300 E C -0.271 176.409 176.600 0.133 0.000 1.028 300 E CA 0.615 57.099 56.400 0.140 0.000 0.864 300 E CB -0.058 29.700 29.700 0.098 0.000 0.813 300 E HN 0.489 nan 8.360 nan 0.000 0.514 301 N N -0.320 118.489 118.700 0.182 0.000 2.732 301 N HA 0.198 4.937 4.740 -0.003 0.000 0.235 301 N C -0.944 174.745 175.510 0.297 0.000 1.466 301 N CA -0.057 53.098 53.050 0.176 0.000 0.751 301 N CB 0.620 39.187 38.487 0.134 0.000 1.317 301 N HN 0.003 nan 8.380 nan 0.000 0.525 302 G N 0.107 109.108 108.800 0.335 0.000 2.818 302 G HA2 0.809 4.768 3.960 -0.003 0.000 0.286 302 G HA3 0.809 4.768 3.960 -0.003 0.000 0.286 302 G C -1.587 173.546 174.900 0.388 0.000 1.364 302 G CA -0.479 44.900 45.100 0.465 0.000 0.938 302 G HN 0.216 nan 8.290 nan 0.000 0.490 303 L N -0.371 121.127 121.223 0.459 0.000 2.472 303 L HA 0.390 4.728 4.340 -0.003 0.000 0.260 303 L C -1.725 175.344 176.870 0.331 0.000 0.963 303 L CA -0.792 54.303 54.840 0.424 0.000 0.829 303 L CB 2.925 45.364 42.059 0.634 0.000 1.348 303 L HN 0.466 nan 8.230 nan 0.000 0.408 304 D N 2.756 123.302 120.400 0.243 0.000 2.453 304 D HA 0.510 5.148 4.640 -0.003 0.000 0.238 304 D C -0.959 175.476 176.300 0.225 0.000 1.088 304 D CA -0.019 54.037 54.000 0.093 0.000 0.854 304 D CB 1.010 41.829 40.800 0.032 0.000 1.076 304 D HN 0.139 nan 8.370 nan 0.000 0.533 305 F N 0.396 120.445 119.950 0.165 0.000 2.618 305 F HA 0.767 5.292 4.527 -0.003 0.000 0.332 305 F C -0.900 175.042 175.800 0.238 0.000 1.061 305 F CA -1.631 56.480 58.000 0.185 0.000 0.974 305 F CB 0.871 39.977 39.000 0.176 0.000 1.310 305 F HN 0.088 nan 8.300 nan 0.000 0.491 306 F N 0.735 120.843 119.950 0.262 0.000 2.563 306 F HA 0.816 5.342 4.527 -0.003 0.000 0.316 306 F C -1.355 174.570 175.800 0.208 0.000 1.076 306 F CA -1.259 56.821 58.000 0.135 0.000 0.921 306 F CB 2.039 41.068 39.000 0.049 0.000 1.209 306 F HN 0.412 nan 8.300 nan 0.000 0.462 307 V N 4.482 124.163 119.914 -0.387 0.000 2.888 307 V HA 0.734 4.853 4.120 -0.003 0.000 0.309 307 V C -1.259 174.676 176.094 -0.266 0.000 1.114 307 V CA -0.933 61.285 62.300 -0.137 0.000 0.940 307 V CB 1.850 33.702 31.823 0.049 0.000 1.021 307 V HN 0.631 nan 8.190 nan 0.000 0.426 308 V N 1.251 121.132 119.914 -0.055 0.000 2.841 308 V HA 1.010 5.128 4.120 -0.003 0.000 0.310 308 V C 0.205 176.326 176.094 0.046 0.000 1.090 308 V CA -0.250 62.040 62.300 -0.016 0.000 0.930 308 V CB 1.926 33.778 31.823 0.048 0.000 1.014 308 V HN 1.179 nan 8.190 nan 0.000 0.425 309 G N 0.753 109.588 108.800 0.057 0.000 2.733 309 G HA2 0.479 4.437 3.960 -0.003 0.000 0.297 309 G HA3 0.479 4.437 3.960 -0.003 0.000 0.297 309 G C -1.655 173.269 174.900 0.041 0.000 1.422 309 G CA -0.506 44.632 45.100 0.063 0.000 0.942 309 G HN 0.676 nan 8.290 nan 0.000 0.510 310 D N 0.794 121.218 120.400 0.040 0.000 2.417 310 D HA -0.013 4.625 4.640 -0.003 0.000 0.250 310 D C 0.979 177.248 176.300 -0.052 0.000 1.166 310 D CA -0.154 53.852 54.000 0.011 0.000 0.881 310 D CB 1.417 42.247 40.800 0.049 0.000 1.164 310 D HN 0.390 nan 8.370 nan 0.000 0.467 311 Q N 3.999 123.706 119.800 -0.154 0.000 2.172 311 Q HA -0.084 4.255 4.340 -0.003 0.000 0.200 311 Q C 1.736 177.639 176.000 -0.162 0.000 0.964 311 Q CA 0.706 56.322 55.803 -0.312 0.000 0.855 311 Q CB 0.125 28.462 28.738 -0.667 0.000 0.918 311 Q HN 0.680 nan 8.270 nan 0.000 0.444 312 L N 0.175 121.347 121.223 -0.086 0.000 2.492 312 L HA 0.037 4.375 4.340 -0.003 0.000 0.223 312 L C 1.938 178.791 176.870 -0.027 0.000 1.132 312 L CA 0.081 54.894 54.840 -0.045 0.000 0.850 312 L CB 0.137 42.184 42.059 -0.020 0.000 0.966 312 L HN 0.201 nan 8.230 nan 0.000 0.454 313 L N -0.956 120.259 121.223 -0.013 0.000 2.416 313 L HA 0.029 4.367 4.340 -0.003 0.000 0.216 313 L C 0.883 177.746 176.870 -0.011 0.000 1.098 313 L CA 0.276 55.117 54.840 0.003 0.000 0.840 313 L CB 0.057 42.157 42.059 0.069 0.000 0.981 313 L HN 0.032 nan 8.230 nan 0.000 0.462 314 K N 0.957 121.349 120.400 -0.013 0.000 3.141 314 K HA 0.335 4.653 4.320 -0.003 0.000 0.248 314 K C 0.537 177.127 176.600 -0.017 0.000 1.282 314 K CA 0.029 56.313 56.287 -0.004 0.000 1.251 314 K CB 0.595 33.104 32.500 0.015 0.000 1.533 314 K HN 0.189 nan 8.250 nan 0.000 0.409 315 G N -0.775 108.008 108.800 -0.029 0.000 2.892 315 G HA2 0.080 4.038 3.960 -0.003 0.000 0.184 315 G HA3 0.080 4.038 3.960 -0.003 0.000 0.184 315 G C 1.010 175.882 174.900 -0.047 0.000 1.238 315 G CA 0.321 45.403 45.100 -0.031 0.000 0.722 315 G HN 0.261 nan 8.290 nan 0.000 0.777 316 A N 0.892 123.678 122.820 -0.057 0.000 1.970 316 A HA 0.564 4.883 4.320 -0.003 0.000 0.216 316 A C 2.605 180.120 177.584 -0.116 0.000 1.170 316 A CA 2.139 54.126 52.037 -0.084 0.000 0.645 316 A CB -0.569 18.384 19.000 -0.079 0.000 0.816 316 A HN 1.049 nan 8.150 nan 0.000 0.447 317 A N -0.354 122.397 122.820 -0.114 0.000 1.930 317 A HA 0.024 4.343 4.320 -0.003 0.000 0.217 317 A C 2.081 179.591 177.584 -0.123 0.000 1.175 317 A CA 1.399 53.334 52.037 -0.170 0.000 0.627 317 A CB -0.513 18.394 19.000 -0.156 0.000 0.815 317 A HN 0.588 nan 8.150 nan 0.000 0.443 318 L N -0.700 120.480 121.223 -0.072 0.000 2.478 318 L HA -0.032 4.307 4.340 -0.003 0.000 0.223 318 L C 1.967 178.801 176.870 -0.061 0.000 1.140 318 L CA 0.586 55.397 54.840 -0.050 0.000 0.842 318 L CB -0.223 41.822 42.059 -0.023 0.000 0.953 318 L HN 0.372 nan 8.230 nan 0.000 0.452 319 N N 0.325 118.976 118.700 -0.081 0.000 2.131 319 N HA -0.059 4.680 4.740 -0.003 0.000 0.190 319 N C 1.745 177.183 175.510 -0.120 0.000 1.055 319 N CA 1.375 54.369 53.050 -0.094 0.000 0.853 319 N CB -0.206 38.219 38.487 -0.104 0.000 1.035 319 N HN 0.360 nan 8.380 nan 0.000 0.440 320 A N 0.709 123.425 122.820 -0.172 0.000 2.194 320 A HA -0.073 4.245 4.320 -0.003 0.000 0.220 320 A C 2.211 179.731 177.584 -0.107 0.000 1.162 320 A CA 1.031 52.919 52.037 -0.249 0.000 0.674 320 A CB -0.474 18.359 19.000 -0.278 0.000 0.789 320 A HN 0.225 nan 8.150 nan 0.000 0.470 321 V N -1.238 118.634 119.914 -0.070 0.000 2.992 321 V HA -0.121 3.998 4.120 -0.003 0.000 0.250 321 V C 2.268 178.380 176.094 0.030 0.000 1.090 321 V CA 1.695 63.987 62.300 -0.013 0.000 1.101 321 V CB -0.241 31.552 31.823 -0.051 0.000 0.743 321 V HN 0.678 nan 8.190 nan 0.000 0.468 322 Q N -0.448 119.353 119.800 0.002 0.000 2.167 322 Q HA -0.174 4.164 4.340 -0.003 0.000 0.202 322 Q C 1.994 178.035 176.000 0.069 0.000 0.970 322 Q CA 1.867 57.671 55.803 0.002 0.000 0.855 322 Q CB -0.087 28.627 28.738 -0.040 0.000 0.911 322 Q HN 0.579 nan 8.270 nan 0.000 0.438 323 I N 0.423 121.065 120.570 0.120 0.000 2.202 323 I HA -0.203 3.965 4.170 -0.003 0.000 0.242 323 I C 2.244 178.680 176.117 0.531 0.000 1.091 323 I CA 1.257 62.734 61.300 0.295 0.000 1.368 323 I CB -0.896 37.258 38.000 0.257 0.000 1.058 323 I HN 0.081 nan 8.210 nan 0.000 0.410 324 A N 0.229 123.312 122.820 0.438 0.000 1.986 324 A HA -0.220 4.099 4.320 -0.003 0.000 0.220 324 A C 2.169 179.888 177.584 0.225 0.000 1.171 324 A CA 1.812 53.977 52.037 0.213 0.000 0.640 324 A CB -0.463 18.589 19.000 0.087 0.000 0.811 324 A HN 0.411 nan 8.150 nan 0.000 0.451 325 E N -0.399 119.942 120.200 0.235 0.000 2.086 325 E HA -0.103 4.246 4.350 -0.003 0.000 0.190 325 E C 1.859 178.688 176.600 0.383 0.000 0.975 325 E CA 1.126 57.671 56.400 0.242 0.000 0.813 325 E CB -0.665 29.113 29.700 0.129 0.000 0.768 325 E HN 0.920 nan 8.360 nan 0.000 0.457 326 E N 0.668 121.065 120.200 0.329 0.000 2.086 326 E HA -0.259 4.090 4.350 -0.003 0.000 0.205 326 E C 1.722 178.624 176.600 0.503 0.000 1.027 326 E CA 1.966 58.599 56.400 0.388 0.000 0.830 326 E CB -0.576 29.281 29.700 0.263 0.000 0.751 326 E HN 0.210 nan 8.360 nan 0.000 0.456 327 W N 0.967 122.388 121.300 0.202 0.000 2.290 327 W HA -0.134 4.524 4.660 -0.003 0.000 0.318 327 W C 1.216 177.803 176.519 0.113 0.000 1.248 327 W CA 0.944 58.360 57.345 0.119 0.000 1.263 327 W CB -0.842 28.642 29.460 0.041 0.000 1.147 327 W HN 0.115 nan 8.180 nan 0.000 0.494 328 L N 0.000 121.466 121.223 0.405 0.000 2.949 328 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 328 L CA 0.000 54.989 54.840 0.248 0.000 0.813 328 L CB 0.000 42.206 42.059 0.245 0.000 0.961 328 L HN 0.000 nan 8.230 nan 0.000 0.502